A0A096LQI1_POEFO Loading...

TBC1 domain family member 31

Molecular adapter which is involved in cilium biogenesis. Part of a functional complex including OFD1 a centriolar protein involved in cilium assembly. Could regulate the cAMP-dependent phosphorylation of OFD1, and its subsequent ubiquitination by PJA2 which ultimately leads to its proteasomal degradation.

AlphaFold DB , UniProt , Accession A0A096LQI1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,081 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
1M57.5Low75.1Confident115 Ų11565.5 Ų65.557%0.56733%0.33SS*.  01200-169.2-176.7-165.200108.3V3 V28 N332M1-V3 HydrophobicContact CE-CG2 4.25Å; M1-V3 HydrophobicContact CG-CG2 4.02Å; M1-V3 HydrophobicContact SD-CG2 4.1Å; M1-V28 HydrophobicContact CE-CG1 4.16Å; M1-V28 HydrophobicContact CG-CB 4.3Å; M1-V28 HydrophobicContact CG-CG1 3.97Å; M1-N332 WeakPolarHBondContact CE-OD1 3.49Å
2E64.8Low76.1Confident52 Ų5261.4 Ų61.424%0.24332%0.317CS..EExtended strand (participates in β ladder)trans-94.2132.9163.1-173165.7145.300107.1H16 R17 L30 G31E2-H16 PolarHBondContact OE1-N 3.48Å; E2-R17 PolarHBondContact OE1-N 3.05Å; E2-R17 VanDerWaalsContact OE1-N 3.16Å; E2-L30 HydrophobicContact CB-CD1 4.38Å; E2-L30 WeakPolarHBondContact O-CA 3.48Å; E2-G31 PolarHBondContact O-N 3.33Å
3V73.6Confident76.8Confident86 Ų8665.5 Ų65.552%0.52133%0.331SS..EExtended strand (participates in β ladder)trans-113.2122.8-179.6-178.80000109.2M1 G31M1-V3 HydrophobicContact CE-CG2 4.25Å; M1-V3 HydrophobicContact CG-CG2 4.02Å; M1-V3 HydrophobicContact SD-CG2 4.1Å; V3-G31 CarbonylContact C-O 3.58Å; V3-G31 WeakPolarHBondContact CA-O 3.35Å
4T76.3Confident77.2Confident8 Ų860.9 Ų60.95%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-111113.8-178.7-63.10000110.2V14 G31 L32 Q33T4-V14 VanDerWaalsContact CB-O 3.27Å; T4-V14 WeakPolarHBondContact CB-O 3.37Å; T4-V14 WeakPolarHBondContact CG2-O 3.42Å; T4-V14 PolarHBondContact OG1-O 3.4Å; T4-G31 PolarHBondContact N-O 3.44Å; T4-L32 HydrophobicContact CG2-CD2 4.39Å; T4-Q33 PolarHBondContact O-N 3.04Å; T4-Q33 VanDerWaalsContact O-N 3.13Å
5D78.9Confident77.3Confident56 Ų5658.7 Ų58.730%0.29929%0.294SS..EExtended strand (participates in β ladder)trans-81119.516717536.6000111G7 Q33 V35D5-G7 WeakPolarHBondContact OD1-CA 3.46Å; D5-G7 PolarHBondContact OD1-N 3.13Å; D5-Q33 WeakPolarHBondContact CA-O 3.45Å; D5-V35 PolarHBondContact OD1-N 3.06Å
6I77.9Confident77Confident1 Ų164.3 Ų64.31%0.00532%0.318CS..  trans-74.2-31.4175.6-65.3156000110.9N8 K9 L32 Q33 R34 F46 Y68 F70 F77I6-N8 PolarHBondContact O-N 3.26Å; I6-K9 WeakPolarHBondContact O-CB 3.4Å; I6-K9 PolarHBondContact O-N 3.47Å; I6-L32 HydrophobicContact CD1-CB 4.49Å; I6-L32 HydrophobicContact CD1-CD2 4.3Å; I6-L32 HydrophobicContact CG1-CD2 4.48Å; I6-Q33 PolarHBondContact N-O 3.39Å; I6-R34 HydrophobicContact CB-CB 4.46Å; I6-F46 HydrophobicContact CD1-CE2 4.19Å; I6-F46 HydrophobicContact CD1-CZ 3.86Å; I6-Y68 HydrophobicContact CG2-CD1 4.33Å; I6-Y68 HydrophobicContact CG2-CE1 3.68Å; I6-F70 HydrophobicContact CD1-CE1 3.81Å; I6-F70 HydrophobicContact CD1-CZ 3.65Å; I6-F70 HydrophobicContact CG1-CE1 4.45Å; I6-F77 HydrophobicContact CB-CZ 4.37Å; I6-F77 HydrophobicContact CG1-CE1 4.32Å; I6-F77 HydrophobicContact CG1-CZ 4.38Å; I6-F77 HydrophobicContact CG2-CD2 4.3Å; I6-F77 HydrophobicContact CG2-CE2 3.75Å; I6-F77 HydrophobicContact CG2-CZ 3.97Å
7G72.8Confident76.4Confident7 Ų772.4 Ų72.47%0.07235%0.345CS..THydrogen-bonded Turntrans53.6-130.3-175.700000113.2D5 R34 V35D5-G7 WeakPolarHBondContact OD1-CA 3.46Å; D5-G7 PolarHBondContact OD1-N 3.13Å; G7-R34 VanDerWaalsContact O-CG 3.26Å; G7-R34 WeakPolarHBondContact O-CG 3.46Å; G7-R34 PolarHBondContact O-NE 2.65Å; G7-V35 WeakPolarHBondContact CA-O 3.31Å
8N72.8Confident75.8Confident98 Ų9878.3 Ų78.352%0.52437%0.369SS..THydrogen-bonded Turntrans-105.321.1173.6-77.9-16.8000113.2I6 R34I6-N8 PolarHBondContact O-N 3.26Å; N8-R34 PolarHBondContact OD1-NH2 3.13Å
9K79.8Confident75.1Confident116 Ų11675.5 Ų75.550%0.50436%0.358SS..  trans-74137.3179.1-64.3172-177.4163.60110.9I6 F77I6-K9 WeakPolarHBondContact O-CB 3.4Å; I6-K9 PolarHBondContact O-N 3.47Å; K9-F77 HydrophobicContact CB-CE2 4.18Å; K9-F77 HydrophobicContact CB-CZ 4.03Å; K9-F77 HydrophobicContact CD-CZ 4.35Å
10E83.5Confident74.3Confident91 Ų9177.6 Ų77.643%0.42538%0.376SS..SBendtrans-85.1-19.3174.4-57.8-157.616800113.3R78 L79 R82E10-R78 CarbonylContact O-C 3.59Å; E10-R78 WeakPolarHBondContact O-CA 3.39Å; E10-L79 HydrophobicContact CB-CB 4.3Å; E10-L79 HydrophobicContact CG-CD2 4.12Å; E10-L79 PolarHBondContact O-N 3.14Å; E10-R82 IonicContact OE1-CZ 3.18Å; E10-R82 IonicContact OE1-NH1 3.85Å; E10-R82 PolarHBondContact OE1-NH1 3.3Å; E10-R82 IonicContact OE1-NH2 3.85Å; E10-R82 PolarHBondContact OE1-NH2 3.41Å
11E88.1Confident73.4Confident91 Ų9177.8 Ų77.843%0.42538%0.383SS..EExtended strand (participates in β ladder)trans-151.1164.4161.864.9156.4-137.100112.4R76 F77 R78E11-R76 IonicContact OE1-NH1 3.29Å; E11-R76 PolarHBondContact OE1-NH1 3.35Å; E11-F77 VanDerWaalsContact CA-O 3.26Å; E11-F77 WeakPolarHBondContact CA-O 3.38Å; E11-F77 WeakPolarHBondContact CB-O 3.41Å; E11-R78 HydrophobicContact CB-CB 4.49Å; E11-R78 HydrophobicContact CB-CG 3.85Å; E11-R78 IonicContact OE2-CZ 3.35Å; E11-R78 IonicContact OE2-NE 2.76Å; E11-R78 PolarHBondContact OE2-NE 3.22Å; E11-R78 IonicContact OE2-NH2 3.63Å; E11-R78 PolarHBondContact OE2-NH2 3.44Å
12G86.9Confident72.8Confident16 Ų1674.6 Ų74.617%0.16538%0.38CS..EExtended strand (participates in β ladder)trans-177.1-168.1179.800000113.5R76 F77G12-R76 WeakPolarHBondContact O-CA 3.45Å; G12-R76 WeakPolarHBondContact O-CD 3.44Å; G12-F77 PolarHBondContact N-O 3.21Å; G12-F77 PolarHBondContact O-N 2.89Å
13K85.9Confident71.6Confident115 Ų11582.9 Ų82.950%0.542%0.415SS..  trans-93148.1168.3-65.1-175.4-179.5-179.40109.8W15 N75 F77K13-W15 WeakPolarHBondContact CB-O 3.29Å; K13-N75 WeakPolarHBondContact CA-O 3.48Å; K13-F77 VanDerWaalsContact O-CD1 3.31Å; K13-F77 WeakPolarHBondContact O-CD1 3.48Å; K13-F77 VanDerWaalsContact O-CE1 3.28Å; K13-F77 WeakPolarHBondContact O-CE1 3.36Å
14V81.9Confident70Confident0 Ų081.6 Ų81.60%041%0.41CS..SBendtrans-77.5-29.4178.5-176.40000110.7T4 L30 L32 F70 N75 R76 F77T4-V14 VanDerWaalsContact CB-O 3.27Å; T4-V14 WeakPolarHBondContact CB-O 3.37Å; T4-V14 WeakPolarHBondContact CG2-O 3.42Å; T4-V14 PolarHBondContact OG1-O 3.4Å; V14-L30 HydrophobicContact CG1-CD2 3.4Å; V14-L32 HydrophobicContact CG1-CD2 4.26Å; V14-F70 HydrophobicContact CG2-CD1 4.32Å; V14-N75 WeakPolarHBondContact CA-OD1 3.49Å; V14-N75 WeakPolarHBondContact CB-OD1 3.42Å; V14-N75 PolarHBondContact N-OD1 3.3Å; V14-R76 WeakPolarHBondContact CG2-O 3.46Å; V14-F77 HydrophobicContact CG2-CB 4.2Å
15W79.2Confident68.5Low29 Ų2985.8 Ų85.811%0.1144%0.439CS..  trans-146.2156.8171.151.478000111.6K13 R17 P19 L30 I72 N75K13-W15 WeakPolarHBondContact CB-O 3.29Å; W15-R17 WeakPolarHBondContact CB-O 3.41Å; W15-R17 VanDerWaalsContact CD1-C 3.46Å; W15-P19 HydrophobicContact CD2-CG 4.1Å; W15-P19 HydrophobicContact CE3-CG 4.14Å; W15-P19 HydrophobicContact CG-CG 4.48Å; W15-P19 HydrophobicContact CZ3-CG 4.5Å; W15-L30 HydrophobicContact CB-CD1 3.97Å; W15-L30 HydrophobicContact CE3-CD1 4.24Å; W15-L30 HydrophobicContact CE3-CD2 4.21Å; W15-I72 HydrophobicContact CH2-CG2 3.7Å; W15-I72 WeakPolarHBondContact CH2-O 3.47Å; W15-I72 HydrophobicContact CZ3-CG2 4.05Å; W15-N75 HydrophobicContact CD2-CB 4.4Å; W15-N75 VanDerWaalsContact CE2-CG 3.48Å; W15-N75 HydrophobicContact CZ2-CB 3.81Å; W15-N75 PolarHBondContact N-OD1 3.24Å; W15-N75 VanDerWaalsContact NE1-CG 3.29Å; W15-N75 PolarHBondContact NE1-ND2 3.26Å; W15-N75 VanDerWaalsContact NE1-ND2 3.18Å; W15-N75 PolarHBondContact O-ND2 3.32Å; W15-N75 PolarHBondContact O-OD1 3Å
16H72.4Confident67.2Low147 Ų14788 Ų8868%0.68145%0.451SS*.SBendtrans-89.7-32.2176.4-75.8-92000112.3E2E2-H16 PolarHBondContact OE1-N 3.48Å
17R66.3Low66.5Low203 Ų20390.2 Ų90.277%0.76646%0.461SS*.SBendtrans-122147.2169.6-66.7-179.7174.8-178.9-1.8109.4E2 W15 P19E2-R17 PolarHBondContact OE1-N 3.05Å; E2-R17 VanDerWaalsContact OE1-N 3.16Å; W15-R17 WeakPolarHBondContact CB-O 3.41Å; W15-R17 VanDerWaalsContact CD1-C 3.46Å; R17-P19 VanDerWaalsContact O-CD 3.3Å; R17-P19 WeakPolarHBondContact O-CD 3.47Å; R17-P19 VanDerWaalsContact O-N 3.17Å
18K66.6Low66.3Low179 Ų17990.6 Ų90.678%0.77846%0.462SS*.PPolyproline II helixtrans-65.2118.2-179.2-173.9177.2-179.8178.70108.6T20K18-T20 PolarHBondContact O-N 3.46Å; K18-T20 VanDerWaalsContact O-N 3.17Å
19P62.7Low66.1Low25 Ų2587.1 Ų87.116%0.16244%0.444CS..PPolyproline II helixtrans-66.2119.3-174.825.1-33.4000109.7W15 R17 L29W15-P19 HydrophobicContact CD2-CG 4.1Å; W15-P19 HydrophobicContact CE3-CG 4.14Å; W15-P19 HydrophobicContact CG-CG 4.48Å; W15-P19 HydrophobicContact CZ3-CG 4.5Å; R17-P19 VanDerWaalsContact O-CD 3.3Å; R17-P19 WeakPolarHBondContact O-CD 3.47Å; R17-P19 VanDerWaalsContact O-N 3.17Å; P19-L29 HydrophobicContact CB-CB 4.43Å
20T57.9Low65.9Low117 Ų11781.7 Ų81.772%0.71842%0.42SS*.PPolyproline II helixtrans-87.7145.1169.447.10000109.5K18 G22K18-T20 PolarHBondContact O-N 3.46Å; K18-T20 VanDerWaalsContact O-N 3.17Å; T20-G22 PolarHBondContact O-N 3.32Å
21P55.3Low65.3Low82 Ų8277.5 Ų77.553%0.53240%0.401SS..  trans-58106.4169.8-25.936.4000110.6S338P21-S338 WeakPolarHBondContact CG-OG 3.27Å
22G44.3Very low64.8Low48 Ų4873.1 Ų73.150%0.49538%0.381SS..  trans-76.7154.3-178.200000112.4T20 S24T20-G22 PolarHBondContact O-N 3.32Å; G22-S24 PolarHBondContact O-N 3.39Å; G22-S24 VanDerWaalsContact O-N 3.16Å
23K40.8Very low64.4Low226 Ų22675.1 Ų75.198%0.98339%0.386SS*.SBendtrans-74.38.2173.2-62.9-176.1178.9-179.20113.9
24S40Very low63.9Low58 Ų5870.4 Ų70.441%0.40637%0.365SS..SBendtrans-78.9145.8176.449.50000111.6G22 D26G22-S24 PolarHBondContact O-N 3.39Å; G22-S24 VanDerWaalsContact O-N 3.16Å; S24-D26 PolarHBondContact O-N 3.3Å
25S43.6Very low63.3Low96 Ų9672.4 Ų72.467%0.67138%0.377SS*.THydrogen-bonded Turntrans-57-15.9-170.640.30000117.4H27S25-H27 PolarHBondContact O-CD2 3.48Å; S25-H27 PolarHBondContact O-NE2 3.09Å
26D52.7Low62.4Low102 Ų10272.8 Ų72.855%0.54538%0.381SS..THydrogen-bonded Turntrans-103.7-6.6-157.5-36.4-43.8000113S24 V28S24-D26 PolarHBondContact O-N 3.3Å; D26-V28 HydrophobicContact CB-CG2 4.46Å; D26-V28 PolarHBondContact O-N 3.18Å
27H63.9Low61.4Low48 Ų4874.3 Ų74.322%0.22239%0.385CS..  trans55.33175.9-56.2-96.3000117.2S25 L29 S338 L339 D342S25-H27 PolarHBondContact O-CD2 3.48Å; S25-H27 PolarHBondContact O-NE2 3.09Å; H27-L29 PolarHBondContact O-N 3.5Å; H27-S338 PolarHBondContact CE1-O 3Å; H27-S338 PolarHBondContact ND1-O 3.37Å; H27-L339 HydrophobicContact CB-CD2 3.66Å; H27-L339 HydrophobicContact CB-CG 4.29Å; H27-D342 IonicContact CE1-OD1 3.29Å; H27-D342 PolarHBondContact CE1-OD1 3.04Å; H27-D342 IonicContact CE1-OD2 3.79Å
28V68.2Low60.7Low15 Ų1569.3 Ų69.39%0.09139%0.387CS..EExtended strand (participates in β ladder)trans-64.9122.9174.8-173.90000110.5M1 D26 L30 N332 Y334M1-V28 HydrophobicContact CE-CG1 4.16Å; M1-V28 HydrophobicContact CG-CB 4.3Å; M1-V28 HydrophobicContact CG-CG1 3.97Å; D26-V28 HydrophobicContact CB-CG2 4.46Å; D26-V28 PolarHBondContact O-N 3.18Å; V28-L30 WeakPolarHBondContact CG1-O 3.41Å; V28-N332 HydrophobicContact CG1-CB 4.16Å; V28-Y334 HydrophobicContact CB-CE1 4.31Å; V28-Y334 HydrophobicContact CG2-CD1 4.23Å; V28-Y334 HydrophobicContact CG2-CE1 3.46Å; V28-Y334 VanDerWaalsContact CG2-CE1 3.46Å
29L67.8Low59.8Low26 Ų2664.3 Ų64.314%0.13637%0.369CS..EExtended strand (participates in β ladder)trans-71-49.1168.3-68.4-179.8000110.5P19 H27 I333P19-L29 HydrophobicContact CB-CB 4.43Å; H27-L29 PolarHBondContact O-N 3.5Å; L29-I333 WeakPolarHBondContact CB-O 3.48Å; L29-I333 PolarHBondContact N-O 2.85Å
30L74.9Confident58.9Low2 Ų271.7 Ų71.71%0.0140%0.402CS..EExtended strand (participates in β ladder)trans-148.7137.3-166.6-17183.7000111.4E2 V14 W15 V28 L32 N332 I333E2-L30 HydrophobicContact CB-CD1 4.38Å; E2-L30 WeakPolarHBondContact O-CA 3.48Å; V14-L30 HydrophobicContact CG1-CD2 3.4Å; W15-L30 HydrophobicContact CB-CD1 3.97Å; W15-L30 HydrophobicContact CE3-CD1 4.24Å; W15-L30 HydrophobicContact CE3-CD2 4.21Å; V28-L30 WeakPolarHBondContact CG1-O 3.41Å; L30-L32 HydrophobicContact CD2-CD1 4.03Å; L30-L32 HydrophobicContact CD2-CD2 3.93Å; L30-L32 HydrophobicContact CD2-CG 3.69Å; L30-L32 HydrophobicContact CG-CG 4.43Å; L30-N332 WeakPolarHBondContact O-CA 3.43Å; L30-I333 HydrophobicContact CB-CB 4.37Å; L30-I333 HydrophobicContact CD2-CD1 3.82Å; L30-I333 HydrophobicContact CD2-CG1 4.49Å; L30-I333 PolarHBondContact N-O 2.61Å; L30-I333 PolarHBondContact O-N 3.39Å
31G72.8Confident58.4Low2 Ų273.7 Ų73.72%0.02141%0.408CS..EExtended strand (participates in β ladder)trans-105129.4161.500000111.1E2 V3 T4E2-G31 PolarHBondContact O-N 3.33Å; V3-G31 CarbonylContact C-O 3.58Å; V3-G31 WeakPolarHBondContact CA-O 3.35Å; T4-G31 PolarHBondContact N-O 3.44Å
32L76.5Confident58.6Low0 Ų075.9 Ų75.90%041%0.409CS..EExtended strand (participates in β ladder)trans-107126173.2-73165000109.9T4 I6 V14 L30 F58 F70 S330 I331 I333T4-L32 HydrophobicContact CG2-CD2 4.39Å; I6-L32 HydrophobicContact CD1-CB 4.49Å; I6-L32 HydrophobicContact CD1-CD2 4.3Å; I6-L32 HydrophobicContact CG1-CD2 4.48Å; V14-L32 HydrophobicContact CG1-CD2 4.26Å; L30-L32 HydrophobicContact CD2-CD1 4.03Å; L30-L32 HydrophobicContact CD2-CD2 3.93Å; L30-L32 HydrophobicContact CD2-CG 3.69Å; L30-L32 HydrophobicContact CG-CG 4.43Å; L32-F58 HydrophobicContact CD1-CZ 3.95Å; L32-F70 HydrophobicContact CD1-CD1 3.78Å; L32-F70 HydrophobicContact CD1-CE1 3.71Å; L32-F70 HydrophobicContact CD1-CG 4.41Å; L32-F70 HydrophobicContact CD1-CZ 4.26Å; L32-F70 HydrophobicContact CD2-CD1 4.49Å; L32-F70 HydrophobicContact CD2-CE1 4.03Å; L32-F70 HydrophobicContact CG-CE1 4.45Å; L32-S330 CarbonylContact O-C 3.57Å; L32-S330 VanDerWaalsContact O-CA 3.24Å; L32-S330 WeakPolarHBondContact O-CA 3.42Å; L32-S330 VanDerWaalsContact O-CB 3.25Å; L32-S330 WeakPolarHBondContact O-CB 3.36Å; L32-I331 HydrophobicContact CB-CB 4.3Å; L32-I331 PolarHBondContact N-O 3.24Å; L32-I331 PolarHBondContact O-N 2.86Å; L32-I333 HydrophobicContact CD1-CD1 4.07Å
33Q79.5Confident59.8Low58 Ų5876.3 Ų76.327%0.27140%0.402SS..EExtended strand (participates in β ladder)trans-132.7161.8177-157.9174.51700110.1T4 D5 I6 V35T4-Q33 PolarHBondContact O-N 3.04Å; T4-Q33 VanDerWaalsContact O-N 3.13Å; D5-Q33 WeakPolarHBondContact CA-O 3.45Å; I6-Q33 PolarHBondContact N-O 3.39Å; Q33-V35 HydrophobicContact CG-CG2 4.43Å
34R74.4Confident61.6Low15 Ų1565.8 Ų65.86%0.05736%0.356CS..  trans-131.5112.7174.2-176.6177.4178.1-151.5-5.2110.3I6 G7 N8 V44 F46 D62 N66 Y68I6-R34 HydrophobicContact CB-CB 4.46Å; G7-R34 VanDerWaalsContact O-CG 3.26Å; G7-R34 WeakPolarHBondContact O-CG 3.46Å; G7-R34 PolarHBondContact O-NE 2.65Å; N8-R34 PolarHBondContact OD1-NH2 3.13Å; R34-V44 HydrophobicContact CB-CB 4.05Å; R34-V44 HydrophobicContact CG-CB 3.97Å; R34-V44 HydrophobicContact CG-CG1 4.49Å; R34-V44 HydrophobicContact CG-CG2 4.35Å; R34-V44 PolarHBondContact O-N 3.41Å; R34-F46 HydrophobicContact CB-CE2 4.44Å; R34-D62 IonicContact CZ-OD2 3.42Å; R34-D62 IonicContact NH1-OD2 2.9Å; R34-D62 PolarHBondContact NH1-OD2 3.19Å; R34-N66 PolarHBondContact NH1-ND2 3.13Å; R34-Y68 VanDerWaalsContact CZ-OH 3.23Å; R34-Y68 PolarHBondContact NE-OH 3.17Å; R34-Y68 PolarHBondContact NH1-OH 3.3Å
35V68.5Low63.8Low42 Ų4269.5 Ų69.526%0.25536%0.362SS..BIsolated β-bridgetrans-113.1124.9-179.8-173.30000110.5D5 G7 Q33 K37D5-V35 PolarHBondContact OD1-N 3.06Å; G7-V35 WeakPolarHBondContact CA-O 3.31Å; Q33-V35 HydrophobicContact CG-CG2 4.43Å; V35-K37 PolarHBondContact O-N 3.28Å
36I61.1Low66.1Low38 Ų3865.1 Ų65.120%0.19533%0.33CS..  trans-84.5100.2175.9-64.2175.5000108.9A38 D39 V44I36-A38 HydrophobicContact CG2-CB 4.13Å; I36-A38 PolarHBondContact O-N 3.3Å; I36-D39 PolarHBondContact O-N 2.75Å; I36-D39 VanDerWaalsContact O-N 3.13Å; I36-V44 HydrophobicContact CD1-CG2 3.48Å; I36-V44 VanDerWaalsContact CD1-CG2 3.48Å; I36-V44 HydrophobicContact CG1-CG2 3.75Å
37K52.5Low67.9Low178 Ų17863.3 Ų63.377%0.77432%0.32SS*.THydrogen-bonded Turntrans-57.9-13.6-177.6-68-165.1174.3-166.50116.2V35V35-K37 PolarHBondContact O-N 3.28Å
38A50.5Low69.1Low98 Ų9863.9 Ų63.981%0.8132%0.323SS*.THydrogen-bonded Turntrans-78-17.5178.400000113.8I36I36-A38 HydrophobicContact CG2-CB 4.13Å; I36-A38 PolarHBondContact O-N 3.3Å
39D48Very low70.3Confident74 Ų7464 Ų6440%0.39632%0.324SS..SBendtrans-14997-176.1-1710.6000109.1I36 N41 K42I36-D39 PolarHBondContact O-N 2.75Å; I36-D39 VanDerWaalsContact O-N 3.13Å; D39-N41 PolarHBondContact O-N 2.76Å; D39-K42 PolarHBondContact O-N 2.75Å; D39-K42 VanDerWaalsContact OD2-CD 3.32Å; D39-K42 WeakPolarHBondContact OD2-CD 3.44Å; D39-K42 VanDerWaalsContact OD2-CE 3.28Å; D39-K42 WeakPolarHBondContact OD2-CE 3.47Å; D39-K42 IonicContact OD2-NZ 2.98Å; D39-K42 PolarHBondContact OD2-NZ 3.14Å
40Q43.6Very low71.5Confident181 Ų18163.3 Ų63.385%0.84632%0.322SS*.THydrogen-bonded Turntrans-64.9-5.5-155.6-69.5-171.3-6.900116.3
41N47.9Very low72.4Confident158 Ų15863.8 Ų63.885%0.84532%0.324SS*.THydrogen-bonded Turntrans-112.67.3-178.8-88.6-19000115.2D39D39-N41 PolarHBondContact O-N 2.76Å
42K59.2Low73.2Confident129 Ų12964.5 Ų64.556%0.56133%0.327SS*.  trans-109.995.2-178.8-70.5175.9-171.8148.40112.7D39D39-K42 PolarHBondContact O-N 2.75Å; D39-K42 VanDerWaalsContact OD2-CD 3.32Å; D39-K42 WeakPolarHBondContact OD2-CD 3.44Å; D39-K42 VanDerWaalsContact OD2-CE 3.28Å; D39-K42 WeakPolarHBondContact OD2-CE 3.47Å; D39-K42 IonicContact OD2-NZ 2.98Å; D39-K42 PolarHBondContact OD2-NZ 3.14Å
43T68.4Low73.6Confident57 Ų5767.9 Ų67.935%0.3535%0.348SS..BIsolated β-bridgetrans-76132.4166.5520000110.4
44V80.6Confident73.9Confident4 Ų468.7 Ų68.72%0.02436%0.357CS..  trans-87.8114.4177.4175.40000109.1R34 I36 D62R34-V44 HydrophobicContact CB-CB 4.05Å; R34-V44 HydrophobicContact CG-CB 3.97Å; R34-V44 HydrophobicContact CG-CG1 4.49Å; R34-V44 HydrophobicContact CG-CG2 4.35Å; R34-V44 PolarHBondContact O-N 3.41Å; I36-V44 HydrophobicContact CD1-CG2 3.48Å; I36-V44 VanDerWaalsContact CD1-CG2 3.48Å; I36-V44 HydrophobicContact CG1-CG2 3.75Å; V44-D62 HydrophobicContact CG1-CB 3.71Å; V44-D62 VanDerWaalsContact CG1-OD2 3.28Å; V44-D62 WeakPolarHBondContact CG1-OD2 3.38Å
45R85.9Confident74.4Confident137 Ų13768 Ų6852%0.51735%0.354SS..  trans-80.5130.8-179-54.7-169.3175.61400112D62 H63R45-D62 WeakPolarHBondContact O-CA 3.47Å; R45-D62 WeakPolarHBondContact O-CB 3.36Å; R45-H63 PolarHBondContact N-ND1 3.47Å; R45-H63 PolarHBondContact O-N 3.13Å; R45-H63 PolarHBondContact O-ND1 3.39Å
46F90.9Very high75.3Confident3 Ų367.7 Ų67.71%0.01335%0.351CS..EExtended strand (participates in β ladder)trans-74.2149160-66.4-76.2000110.4I6 R34 A60 D62 Y68 F70 I325 G329 I331I6-F46 HydrophobicContact CD1-CE2 4.19Å; I6-F46 HydrophobicContact CD1-CZ 3.86Å; R34-F46 HydrophobicContact CB-CE2 4.44Å; F46-A60 HydrophobicContact CD1-CB 3.77Å; F46-A60 HydrophobicContact CE1-CB 4.08Å; F46-A60 HydrophobicContact CG-CB 4.5Å; F46-D62 HydrophobicContact CD1-CB 4.13Å; F46-D62 HydrophobicContact CE1-CB 4.35Å; F46-Y68 AromaticContact CE1-CD2 3.92Å; F46-Y68 HydrophobicContact CE1-CD2 3.92Å; F46-Y68 HydrophobicContact CE1-CE2 4.49Å; F46-Y68 HydrophobicContact CZ-CD2 4.4Å; F46-F70 HydrophobicContact CZ-CZ 4.41Å; F46-I325 HydrophobicContact CB-CG2 4.4Å; F46-I325 WeakPolarHBondContact O-CG2 3.33Å; F46-G329 WeakPolarHBondContact CD2-O 3.29Å; F46-G329 PolarHBondContact N-O 3.38Å; F46-I331 HydrophobicContact CB-CD1 3.86Å; F46-I331 HydrophobicContact CB-CG1 3.9Å; F46-I331 HydrophobicContact CD1-CD1 4.03Å; F46-I331 HydrophobicContact CD2-CD1 3.83Å; F46-I331 HydrophobicContact CD2-CG1 3.77Å; F46-I331 HydrophobicContact CE2-CD1 4.4Å; F46-I331 HydrophobicContact CG-CD1 3.63Å; F46-I331 HydrophobicContact CG-CG1 3.9Å
47L89.9Confident76.7Confident64 Ų6466.4 Ų66.434%0.33535%0.346SS..EExtended strand (participates in β ladder)trans-122.5-37.5-177.1-63.2-178.3000113.4G61 H63 A86 I325L47-G61 PolarHBondContact N-O 3.03Å; L47-H63 HydrophobicContact CD1-CB 3.67Å; L47-H63 HydrophobicContact CD2-CB 4.28Å; L47-H63 HydrophobicContact CG-CB 3.94Å; L47-A86 HydrophobicContact CD1-CB 4.04Å; L47-I325 VanDerWaalsContact C-CD1 3.47Å; L47-I325 WeakPolarHBondContact O-CD1 3.49Å
48H90.3Very high78.6Confident60 Ų6057.9 Ų57.928%0.27831%0.309SS..EExtended strand (participates in β ladder)trans-137.7146.4-177-62.3-78.4000110.5A60 G61 C87 T88 L90H48-A60 WeakPolarHBondContact O-CA 3.44Å; H48-G61 PolarHBondContact O-N 3.35Å; H48-C87 PolarHBondContact CD2-O 3.16Å; H48-C87 PolarHBondContact NE2-O 3.38Å; H48-T88 PolarHBondContact CE1-O 3.32Å; H48-T88 PolarHBondContact NE2-O 3.36Å; H48-L90 HydrophobicContact CB-CD1 3.93Å; H48-L90 HydrophobicContact CB-CG 4.06Å
49V93.5Very high80.7Confident19 Ų1953.2 Ų53.212%0.11527%0.27CS..EExtended strand (participates in β ladder)trans-136.2143.8177.972.90000109.4F58 L59 A60 A314 A323 I325V49-F58 HydrophobicContact CG2-CB 4.38Å; V49-F58 HydrophobicContact CG2-CD2 3.4Å; V49-F58 VanDerWaalsContact CG2-CD2 3.4Å; V49-F58 HydrophobicContact CG2-CE2 3.94Å; V49-F58 HydrophobicContact CG2-CG 4.14Å; V49-L59 CarbonylContact C-O 3.45Å; V49-L59 VanDerWaalsContact CA-O 3.27Å; V49-L59 WeakPolarHBondContact CA-O 3.44Å; V49-L59 WeakPolarHBondContact CG2-O 3.49Å; V49-A60 HydrophobicContact CG2-CB 4.29Å; V49-A314 HydrophobicContact CG1-CB 3.79Å; V49-A323 HydrophobicContact CG1-CB 4.33Å; V49-A323 HydrophobicContact CG2-CB 4.12Å; V49-I325 HydrophobicContact CB-CD1 4.1Å; V49-I325 HydrophobicContact CB-CG1 4.43Å; V49-I325 HydrophobicContact CG1-CD1 4.15Å; V49-I325 HydrophobicContact CG1-CG1 4.21Å
50A93.2Very high82.8Confident11 Ų1149.7 Ų49.79%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-146.3123.8178.900000110.9F58 L59 L90 F92A50-F58 CarbonylContact O-C 3.55Å; A50-F58 VanDerWaalsContact O-CA 3.3Å; A50-F58 WeakPolarHBondContact O-CA 3.43Å; A50-F58 WeakPolarHBondContact O-CB 3.21Å; A50-L59 PolarHBondContact N-O 3.12Å; A50-L59 PolarHBondContact O-N 3.35Å; A50-L90 HydrophobicContact CB-CB 3.93Å; A50-F92 HydrophobicContact CB-CB 4.29Å
51F92.5Very high85.1Confident12 Ų1241.1 Ų41.15%0.05321%0.211CC..EExtended strand (participates in β ladder)trans-76.3151.8176.4-83.5-88.1000112.7S57 F58 I72 A314 H321 A323F51-S57 VanDerWaalsContact CD1-O 3.32Å; F51-S57 WeakPolarHBondContact CD1-O 3.25Å; F51-F58 HydrophobicContact CD1-CB 3.93Å; F51-F58 HydrophobicContact CD2-CB 4.49Å; F51-F58 HydrophobicContact CE1-CB 4.16Å; F51-F58 HydrophobicContact CE1-CD1 4.08Å; F51-F58 HydrophobicContact CG-CB 4.11Å; F51-F58 HydrophobicContact CZ-CD1 4.32Å; F51-I72 HydrophobicContact CE1-CD1 4.24Å; F51-A314 HydrophobicContact CD2-CB 3.88Å; F51-A314 HydrophobicContact CE2-CB 4.22Å; F51-A314 WeakPolarHBondContact CE2-O 3.43Å; F51-H321 HydrophobicContact CE1-CB 4.07Å; F51-H321 HydrophobicContact CZ-CB 4.07Å; F51-A323 HydrophobicContact CE2-CB 3.7Å; F51-A323 HydrophobicContact CZ-CB 3.92Å
52D90.1Very high87.1Confident17 Ų1733.6 Ų33.69%0.09117%0.171CC..  trans-73173.2170.490-63.4000111.7T54 G55 D56 S57 F92 P317D52-T54 VanDerWaalsContact CG-N 3.33Å; D52-T54 PolarHBondContact O-N 2.95Å; D52-T54 PolarHBondContact OD1-OG1 3.19Å; D52-T54 VanDerWaalsContact OD2-CB 3.25Å; D52-T54 WeakPolarHBondContact OD2-CB 3.44Å; D52-T54 WeakPolarHBondContact OD2-CG2 3.44Å; D52-T54 PolarHBondContact OD2-N 3.02Å; D52-T54 PolarHBondContact OD2-OG1 3.46Å; D52-G55 PolarHBondContact O-N 2.84Å; D52-G55 WeakPolarHBondContact OD1-CA 3.49Å; D52-G55 PolarHBondContact OD1-N 3.47Å; D52-D56 PolarHBondContact OD1-N 3.28Å; D52-S57 PolarHBondContact N-O 3.14Å; D52-S57 PolarHBondContact OD1-N 3.07Å; D52-F92 WeakPolarHBondContact CA-O 3.2Å; D52-F92 HydrophobicContact CB-CD1 3.62Å; D52-F92 HydrophobicContact CB-CE1 3.53Å; D52-F92 HydrophobicContact CB-CG 4.28Å; D52-F92 HydrophobicContact CB-CZ 4.11Å; D52-P317 WeakPolarHBondContact O-CD 3.39Å; D52-P317 WeakPolarHBondContact O-CG 3.5Å
53T84.9Confident88.5Confident71 Ų7131 Ų3144%0.43616%0.16SC..SBendtrans-64.4-23.5178.451.10000114.4
54T85.4Confident89.3Confident75 Ų7532.5 Ų32.546%0.4616%0.164SC..SBendtrans-82.4-27.9176.372.10000112.9D52 D56 N318D52-T54 VanDerWaalsContact CG-N 3.33Å; D52-T54 PolarHBondContact O-N 2.95Å; D52-T54 PolarHBondContact OD1-OG1 3.19Å; D52-T54 VanDerWaalsContact OD2-CB 3.25Å; D52-T54 WeakPolarHBondContact OD2-CB 3.44Å; D52-T54 WeakPolarHBondContact OD2-CG2 3.44Å; D52-T54 PolarHBondContact OD2-N 3.02Å; D52-T54 PolarHBondContact OD2-OG1 3.46Å; T54-D56 VanDerWaalsContact C-N 3.26Å; T54-D56 PolarHBondContact OG1-N 3.19Å; T54-N318 VanDerWaalsContact O-CB 3.25Å; T54-N318 WeakPolarHBondContact O-CB 3.42Å; T54-N318 VanDerWaalsContact O-CG 3.26Å; T54-N318 PolarHBondContact O-ND2 2.93Å
55G85.1Confident89.6Confident0 Ų032.3 Ų32.30%016%0.162CC..SBendtrans78.63.8-173.700000114.5D52 N318D52-G55 PolarHBondContact O-N 2.84Å; D52-G55 WeakPolarHBondContact OD1-CA 3.49Å; D52-G55 PolarHBondContact OD1-N 3.47Å; G55-N318 VanDerWaalsContact C-ND2 3.26Å; G55-N318 PolarHBondContact O-ND2 3.46Å
56D87Confident89.9Confident35 Ų3526.5 Ų26.519%0.18714%0.141CC..SBendtrans-99.71.2176.5-66.2-31.8000111.9D52 T54 I72 N318 R320D52-D56 PolarHBondContact OD1-N 3.28Å; T54-D56 VanDerWaalsContact C-N 3.26Å; T54-D56 PolarHBondContact OG1-N 3.19Å; D56-I72 WeakPolarHBondContact O-CB 3.45Å; D56-I72 PolarHBondContact O-N 3.33Å; D56-N318 PolarHBondContact OD1-ND2 3.42Å; D56-R320 IonicContact OD1-NH1 2.72Å; D56-R320 PolarHBondContact OD1-NH1 3.27Å; D56-R320 IonicContact OD2-NH1 2.87Å; D56-R320 PolarHBondContact OD2-NH1 3.35Å
57S91.4Very high90Very high11 Ų1126.3 Ų26.38%0.07714%0.141CC..EExtended strand (participates in β ladder)trans-141.7158.3171.3-63.30000112.8F51 D52 F70 D71F51-S57 VanDerWaalsContact CD1-O 3.32Å; F51-S57 WeakPolarHBondContact CD1-O 3.25Å; D52-S57 PolarHBondContact N-O 3.14Å; D52-S57 PolarHBondContact OD1-N 3.07Å; S57-F70 CarbonylContact C-O 3.53Å; S57-F70 WeakPolarHBondContact CA-O 3.3Å; S57-F70 WeakPolarHBondContact CB-O 3.2Å; S57-D71 WeakPolarHBondContact OG-CA 3.45Å
58F93.3Very high90.1Very high0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-148.1159.1175.665.9-88.9000113.3L32 V49 A50 F51 A60 F70 I72 I331 I333L32-F58 HydrophobicContact CD1-CZ 3.95Å; V49-F58 HydrophobicContact CG2-CB 4.38Å; V49-F58 HydrophobicContact CG2-CD2 3.4Å; V49-F58 VanDerWaalsContact CG2-CD2 3.4Å; V49-F58 HydrophobicContact CG2-CE2 3.94Å; V49-F58 HydrophobicContact CG2-CG 4.14Å; A50-F58 CarbonylContact O-C 3.55Å; A50-F58 VanDerWaalsContact O-CA 3.3Å; A50-F58 WeakPolarHBondContact O-CA 3.43Å; A50-F58 WeakPolarHBondContact O-CB 3.21Å; F51-F58 HydrophobicContact CD1-CB 3.93Å; F51-F58 HydrophobicContact CD2-CB 4.49Å; F51-F58 HydrophobicContact CE1-CB 4.16Å; F51-F58 HydrophobicContact CE1-CD1 4.08Å; F51-F58 HydrophobicContact CG-CB 4.11Å; F51-F58 HydrophobicContact CZ-CD1 4.32Å; F58-A60 HydrophobicContact CD2-CB 4.46Å; F58-A60 HydrophobicContact CE2-CB 4.32Å; F58-F70 HydrophobicContact CD1-CB 4Å; F58-F70 HydrophobicContact CD2-CB 4.2Å; F58-F70 AromaticContact CD2-CD2 3.86Å; F58-F70 HydrophobicContact CD2-CD2 3.86Å; F58-F70 HydrophobicContact CD2-CG 4.37Å; F58-F70 HydrophobicContact CE1-CB 3.59Å; F58-F70 HydrophobicContact CE1-CG 4.21Å; F58-F70 HydrophobicContact CE2-CB 3.85Å; F58-F70 AromaticContact CE2-CD2 3.31Å; F58-F70 HydrophobicContact CE2-CD2 3.31Å; F58-F70 HydrophobicContact CE2-CE2 4Å; F58-F70 AromaticContact CE2-CG 3.71Å; F58-F70 HydrophobicContact CE2-CG 3.71Å; F58-F70 HydrophobicContact CG-CB 4.29Å; F58-F70 HydrophobicContact CZ-CB 3.53Å; F58-F70 HydrophobicContact CZ-CD1 4.33Å; F58-F70 AromaticContact CZ-CD2 3.74Å; F58-F70 HydrophobicContact CZ-CD2 3.74Å; F58-F70 AromaticContact CZ-CG 3.61Å; F58-F70 HydrophobicContact CZ-CG 3.61Å; F58-F70 PolarHBondContact N-O 3.26Å; F58-F70 PolarHBondContact O-N 3.19Å; F58-I72 HydrophobicContact CD1-CD1 4.02Å; F58-I72 HydrophobicContact CD1-CG1 4.24Å; F58-I72 HydrophobicContact CE1-CD1 3.99Å; F58-I72 HydrophobicContact CE1-CG1 4.05Å; F58-I331 HydrophobicContact CE2-CD1 4.38Å; F58-I333 HydrophobicContact CE1-CD1 3.66Å; F58-I333 HydrophobicContact CE1-CG1 4.44Å; F58-I333 HydrophobicContact CZ-CD1 3.86Å; F58-I333 HydrophobicContact CZ-CG1 4.45Å
59L94.1Very high90.2Very high0 Ų021.5 Ų21.50%012%0.116CC..EExtended strand (participates in β ladder)trans-100144.3165.6-65.8170.4000110V49 A50 I67 Y68 F69 F92 F100V49-L59 CarbonylContact C-O 3.45Å; V49-L59 VanDerWaalsContact CA-O 3.27Å; V49-L59 WeakPolarHBondContact CA-O 3.44Å; V49-L59 WeakPolarHBondContact CG2-O 3.49Å; A50-L59 PolarHBondContact N-O 3.12Å; A50-L59 PolarHBondContact O-N 3.35Å; L59-I67 HydrophobicContact CD2-CG2 4.22Å; L59-Y68 CarbonylContact C-O 3.46Å; L59-Y68 VanDerWaalsContact CA-O 3.27Å; L59-Y68 WeakPolarHBondContact CA-O 3.46Å; L59-F69 HydrophobicContact CD2-CB 3.76Å; L59-F69 HydrophobicContact CD2-CD2 4.06Å; L59-F69 HydrophobicContact CD2-CG 4.42Å; L59-F92 HydrophobicContact CB-CD1 4.42Å; L59-F92 HydrophobicContact CD1-CB 3.91Å; L59-F92 HydrophobicContact CD1-CD1 3.94Å; L59-F92 HydrophobicContact CD1-CD2 3.81Å; L59-F92 HydrophobicContact CD1-CE1 4.37Å; L59-F92 HydrophobicContact CD1-CE2 4.26Å; L59-F92 HydrophobicContact CD1-CG 3.63Å; L59-F92 HydrophobicContact CD2-CE1 4.45Å; L59-F92 HydrophobicContact CG-CB 4.43Å; L59-F92 HydrophobicContact CG-CD1 3.65Å; L59-F92 HydrophobicContact CG-CD2 4.32Å; L59-F92 HydrophobicContact CG-CE1 3.84Å; L59-F92 HydrophobicContact CG-CE2 4.49Å; L59-F92 HydrophobicContact CG-CG 3.9Å; L59-F92 HydrophobicContact CG-CZ 4.26Å; L59-F100 HydrophobicContact CD1-CB 3.36Å; L59-F100 HydrophobicContact CD1-CD1 4.03Å; L59-F100 HydrophobicContact CD1-CD2 3.41Å; L59-F100 VanDerWaalsContact CD1-CD2 3.41Å; L59-F100 HydrophobicContact CD1-CE2 4.14Å; L59-F100 HydrophobicContact CD1-CG 3.33Å
60A92.5Very high90.2Very high0 Ų020.6 Ų20.60%011%0.111CC..EExtended strand (participates in β ladder)trans-132.6138.4165.300000111.3F46 H48 V49 F58 Y68 F70 I331F46-A60 HydrophobicContact CD1-CB 3.77Å; F46-A60 HydrophobicContact CE1-CB 4.08Å; F46-A60 HydrophobicContact CG-CB 4.5Å; H48-A60 WeakPolarHBondContact O-CA 3.44Å; V49-A60 HydrophobicContact CG2-CB 4.29Å; F58-A60 HydrophobicContact CD2-CB 4.46Å; F58-A60 HydrophobicContact CE2-CB 4.32Å; A60-Y68 PolarHBondContact N-O 2.95Å; A60-Y68 PolarHBondContact O-N 3.21Å; A60-F70 HydrophobicContact CB-CD2 4.49Å; A60-F70 HydrophobicContact CB-CE2 4.01Å; A60-I331 HydrophobicContact CB-CD1 3.39Å
61G91.8Very high90Very high0 Ų020.3 Ų20.30%011%0.108CC..EExtended strand (participates in β ladder)trans-109.5132.9177.200000111.7L47 H48L47-G61 PolarHBondContact N-O 3.03Å; H48-G61 PolarHBondContact O-N 3.35Å
62D89.8Confident89.8Confident0 Ų020.3 Ų20.30%011%0.108CC..EExtended strand (participates in β ladder)trans-90.9164.3173.278.220.8000113.6R34 V44 R45 F46 H64 G65 N66R34-D62 IonicContact CZ-OD2 3.42Å; R34-D62 IonicContact NH1-OD2 2.9Å; R34-D62 PolarHBondContact NH1-OD2 3.19Å; V44-D62 HydrophobicContact CG1-CB 3.71Å; V44-D62 VanDerWaalsContact CG1-OD2 3.28Å; V44-D62 WeakPolarHBondContact CG1-OD2 3.38Å; R45-D62 WeakPolarHBondContact O-CA 3.47Å; R45-D62 WeakPolarHBondContact O-CB 3.36Å; F46-D62 HydrophobicContact CD1-CB 4.13Å; F46-D62 HydrophobicContact CE1-CB 4.35Å; D62-H64 PolarHBondContact O-N 3.13Å; D62-H64 VanDerWaalsContact O-N 3.15Å; D62-H64 WeakPolarHBondContact OD1-CA 3.49Å; D62-H64 WeakPolarHBondContact OD1-CB 3.43Å; D62-H64 PolarHBondContact OD1-N 3.02Å; D62-G65 PolarHBondContact O-N 3.44Å; D62-G65 PolarHBondContact OD1-N 3.24Å; D62-N66 PolarHBondContact N-O 3.44Å; D62-N66 PolarHBondContact OD1-N 3.13Å; D62-N66 PolarHBondContact OD1-ND2 3.07Å; D62-N66 WeakPolarHBondContact OD2-CB 3.47Å; D62-N66 PolarHBondContact OD2-ND2 3.34Å
63H87.4Confident89.6Confident74 Ų7423.5 Ų23.534%0.34313%0.132SC..THydrogen-bonded Turntrans-67.1-7.6-179.278.1-70.4000114.7R45 L47R45-H63 PolarHBondContact N-ND1 3.47Å; R45-H63 PolarHBondContact O-N 3.13Å; R45-H63 PolarHBondContact O-ND1 3.39Å; L47-H63 HydrophobicContact CD1-CB 3.67Å; L47-H63 HydrophobicContact CD2-CB 4.28Å; L47-H63 HydrophobicContact CG-CB 3.94Å
64H86.4Confident89.7Confident90 Ų9029.1 Ų29.142%0.41715%0.145SC..THydrogen-bonded Turntrans-96.1-0.7169.9-62.7-50.9000112.6D62 N66 G84D62-H64 PolarHBondContact O-N 3.13Å; D62-H64 VanDerWaalsContact O-N 3.15Å; D62-H64 WeakPolarHBondContact OD1-CA 3.49Å; D62-H64 WeakPolarHBondContact OD1-CB 3.43Å; D62-H64 PolarHBondContact OD1-N 3.02Å; H64-N66 WeakPolarHBondContact CB-ND2 3.48Å; H64-G84 CarbonylContact O-C 3.51Å
65G87.3Confident89.8Confident0 Ų026.9 Ų26.90%013%0.13CC..SBendtrans8317.6-179.500000115.3D62 T83 Q85D62-G65 PolarHBondContact O-N 3.44Å; D62-G65 PolarHBondContact OD1-N 3.24Å; G65-T83 VanDerWaalsContact CA-OG1 3.28Å; G65-T83 WeakPolarHBondContact CA-OG1 3.43Å; G65-T83 PolarHBondContact O-N 3.46Å; G65-T83 PolarHBondContact O-OG1 3.45Å; G65-Q85 WeakPolarHBondContact CA-O 3.29Å
66N90.8Very high90Very high14 Ų1431.9 Ų31.98%0.07515%0.149CC..EExtended strand (participates in β ladder)trans-81.4123.1169.2-50.7-84.1000108.7R34 D62 H64 Y68 L79 Q81 R82R34-N66 PolarHBondContact NH1-ND2 3.13Å; D62-N66 PolarHBondContact N-O 3.44Å; D62-N66 PolarHBondContact OD1-N 3.13Å; D62-N66 PolarHBondContact OD1-ND2 3.07Å; D62-N66 WeakPolarHBondContact OD2-CB 3.47Å; D62-N66 PolarHBondContact OD2-ND2 3.34Å; H64-N66 WeakPolarHBondContact CB-ND2 3.48Å; N66-Y68 HydrophobicContact CB-CD2 4.26Å; N66-Y68 HydrophobicContact CB-CE2 3.67Å; N66-L79 HydrophobicContact CB-CD1 3.77Å; N66-Q81 WeakPolarHBondContact CA-O 3.4Å; N66-R82 WeakPolarHBondContact OD1-CG 3.26Å
67I92.9Very high90.2Very high0 Ų030.3 Ų30.30%014%0.141CC..EExtended strand (participates in β ladder)trans-103116.1177.6-49.3-55.9000109L59 V80 Q81 T83 C87 L90 F100 V102L59-I67 HydrophobicContact CD2-CG2 4.22Å; I67-V80 PolarHBondContact O-N 3.44Å; I67-Q81 PolarHBondContact N-O 3.46Å; I67-Q81 PolarHBondContact O-N 3.34Å; I67-T83 HydrophobicContact CG1-CG2 4.38Å; I67-C87 HydrophobicContact CD1-CB 4.28Å; I67-L90 HydrophobicContact CD1-CD2 4.15Å; I67-F100 HydrophobicContact CG2-CE2 3.84Å; I67-F100 HydrophobicContact CG2-CZ 4.37Å; I67-V102 HydrophobicContact CD1-CG1 4.24Å; I67-V102 HydrophobicContact CG1-CG2 4.22Å
68Y92.3Very high90.2Very high2 Ų234.6 Ų34.61%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-103139.4179-71.3-93.4000110.7I6 R34 F46 L59 A60 N66 F70 F77 R78 L79I6-Y68 HydrophobicContact CG2-CD1 4.33Å; I6-Y68 HydrophobicContact CG2-CE1 3.68Å; R34-Y68 VanDerWaalsContact CZ-OH 3.23Å; R34-Y68 PolarHBondContact NE-OH 3.17Å; R34-Y68 PolarHBondContact NH1-OH 3.3Å; F46-Y68 AromaticContact CE1-CD2 3.92Å; F46-Y68 HydrophobicContact CE1-CD2 3.92Å; F46-Y68 HydrophobicContact CE1-CE2 4.49Å; F46-Y68 HydrophobicContact CZ-CD2 4.4Å; L59-Y68 CarbonylContact C-O 3.46Å; L59-Y68 VanDerWaalsContact CA-O 3.27Å; L59-Y68 WeakPolarHBondContact CA-O 3.46Å; A60-Y68 PolarHBondContact N-O 2.95Å; A60-Y68 PolarHBondContact O-N 3.21Å; N66-Y68 HydrophobicContact CB-CD2 4.26Å; N66-Y68 HydrophobicContact CB-CE2 3.67Å; Y68-F70 VanDerWaalsContact CB-CE2 3.43Å; Y68-F70 HydrophobicContact CG-CE2 4.44Å; Y68-F70 HydrophobicContact CG-CZ 4.4Å; Y68-F77 HydrophobicContact CD1-CD2 4.45Å; Y68-R78 CarbonylContact C-O 3.6Å; Y68-R78 WeakPolarHBondContact CA-O 3.42Å; Y68-L79 HydrophobicContact CD1-CB 4.09Å; Y68-L79 HydrophobicContact CD1-CD1 4.38Å; Y68-L79 HydrophobicContact CD2-CD1 4.33Å; Y68-L79 HydrophobicContact CE1-CB 3.84Å; Y68-L79 HydrophobicContact CE1-CD1 4.15Å; Y68-L79 HydrophobicContact CE2-CD1 4.11Å; Y68-L79 HydrophobicContact CG-CD1 4.47Å
69F93.4Very high90.2Very high20 Ų2034.9 Ų34.99%0.08816%0.156CC..EExtended strand (participates in β ladder)trans-104.2132.3169.3170.3-104000109.7L59 D71 F77 R78 V80 F92 K114L59-F69 HydrophobicContact CD2-CB 3.76Å; L59-F69 HydrophobicContact CD2-CD2 4.06Å; L59-F69 HydrophobicContact CD2-CG 4.42Å; F69-D71 HydrophobicContact CE1-CB 3.86Å; F69-D71 HydrophobicContact CZ-CB 4.03Å; F69-F77 CarbonylContact O-C 3.58Å; F69-F77 VanDerWaalsContact O-CA 3.25Å; F69-F77 WeakPolarHBondContact O-CA 3.41Å; F69-R78 PolarHBondContact N-O 2.92Å; F69-R78 PolarHBondContact O-N 3.04Å; F69-V80 HydrophobicContact CB-CG2 3.49Å; F69-V80 VanDerWaalsContact CB-CG2 3.49Å; F69-F92 AromaticContact CD2-CE1 3.79Å; F69-F92 HydrophobicContact CD2-CE1 3.79Å; F69-F92 AromaticContact CD2-CZ 3.72Å; F69-F92 HydrophobicContact CD2-CZ 3.72Å; F69-F92 AromaticContact CE2-CE1 3.69Å; F69-F92 HydrophobicContact CE2-CE1 3.69Å; F69-F92 AromaticContact CE2-CZ 3.57Å; F69-F92 HydrophobicContact CE2-CZ 3.57Å; F69-K114 HydrophobicContact CE2-CD 4.35Å
70F91.9Very high90Very high0 Ų035.2 Ų35.20%016%0.159CC..EExtended strand (participates in β ladder)trans-121.7118.2178.9-63-90.8000109.5I6 V14 L32 F46 S57 F58 A60 Y68 F77I6-F70 HydrophobicContact CD1-CE1 3.81Å; I6-F70 HydrophobicContact CD1-CZ 3.65Å; I6-F70 HydrophobicContact CG1-CE1 4.45Å; V14-F70 HydrophobicContact CG2-CD1 4.32Å; L32-F70 HydrophobicContact CD1-CD1 3.78Å; L32-F70 HydrophobicContact CD1-CE1 3.71Å; L32-F70 HydrophobicContact CD1-CG 4.41Å; L32-F70 HydrophobicContact CD1-CZ 4.26Å; L32-F70 HydrophobicContact CD2-CD1 4.49Å; L32-F70 HydrophobicContact CD2-CE1 4.03Å; L32-F70 HydrophobicContact CG-CE1 4.45Å; F46-F70 HydrophobicContact CZ-CZ 4.41Å; S57-F70 CarbonylContact C-O 3.53Å; S57-F70 WeakPolarHBondContact CA-O 3.3Å; S57-F70 WeakPolarHBondContact CB-O 3.2Å; F58-F70 HydrophobicContact CD1-CB 4Å; F58-F70 HydrophobicContact CD2-CB 4.2Å; F58-F70 AromaticContact CD2-CD2 3.86Å; F58-F70 HydrophobicContact CD2-CD2 3.86Å; F58-F70 HydrophobicContact CD2-CG 4.37Å; F58-F70 HydrophobicContact CE1-CB 3.59Å; F58-F70 HydrophobicContact CE1-CG 4.21Å; F58-F70 HydrophobicContact CE2-CB 3.85Å; F58-F70 AromaticContact CE2-CD2 3.31Å; F58-F70 HydrophobicContact CE2-CD2 3.31Å; F58-F70 HydrophobicContact CE2-CE2 4Å; F58-F70 AromaticContact CE2-CG 3.71Å; F58-F70 HydrophobicContact CE2-CG 3.71Å; F58-F70 HydrophobicContact CG-CB 4.29Å; F58-F70 HydrophobicContact CZ-CB 3.53Å; F58-F70 HydrophobicContact CZ-CD1 4.33Å; F58-F70 AromaticContact CZ-CD2 3.74Å; F58-F70 HydrophobicContact CZ-CD2 3.74Å; F58-F70 AromaticContact CZ-CG 3.61Å; F58-F70 HydrophobicContact CZ-CG 3.61Å; F58-F70 PolarHBondContact N-O 3.26Å; F58-F70 PolarHBondContact O-N 3.19Å; A60-F70 HydrophobicContact CB-CD2 4.49Å; A60-F70 HydrophobicContact CB-CE2 4.01Å; Y68-F70 VanDerWaalsContact CB-CE2 3.43Å; Y68-F70 HydrophobicContact CG-CE2 4.44Å; Y68-F70 HydrophobicContact CG-CZ 4.4Å; F70-F77 HydrophobicContact CD1-CB 3.47Å; F70-F77 VanDerWaalsContact CD1-CB 3.47Å; F70-F77 HydrophobicContact CE1-CB 3.56Å; F70-F77 HydrophobicContact CE1-CG 4.2Å; F70-F77 HydrophobicContact CG-CB 4.31Å; F70-F77 HydrophobicContact CZ-CB 4.48Å
71D90.2Very high89.9Confident6 Ų637.4 Ų37.43%0.03217%0.169CC..EExtended strand (participates in β ladder)trans-100.4104.8171.8-172.1-27.7000108.2S57 F69 S73 R74 N75 R76S57-D71 WeakPolarHBondContact OG-CA 3.45Å; F69-D71 HydrophobicContact CE1-CB 3.86Å; F69-D71 HydrophobicContact CZ-CB 4.03Å; D71-S73 PolarHBondContact OD1-N 3.48Å; D71-S73 VanDerWaalsContact OD1-N 3.09Å; D71-S73 PolarHBondContact OD1-OG 2.95Å; D71-R74 HydrophobicContact CB-CB 4.36Å; D71-R74 PolarHBondContact OD1-N 3.22Å; D71-R74 WeakPolarHBondContact OD2-CD 3.28Å; D71-R74 VanDerWaalsContact OD2-CG 3.23Å; D71-R74 WeakPolarHBondContact OD2-CG 3.39Å; D71-R74 IonicContact OD2-CZ 3.89Å; D71-R74 IonicContact OD2-NE 2.85Å; D71-R74 IonicContact OD2-NH1 3.17Å; D71-R74 PolarHBondContact OD2-NH1 3.19Å; D71-N75 WeakPolarHBondContact O-CA 3.36Å; D71-N75 PolarHBondContact O-N 2.95Å; D71-N75 VanDerWaalsContact O-N 3.13Å; D71-R76 PolarHBondContact N-O 3.01Å; D71-R76 PolarHBondContact O-N 3.15Å; D71-R76 VanDerWaalsContact O-N 3.08Å
72I87.3Confident89.8Confident12 Ų1243.9 Ų43.96%0.06219%0.193CC..THydrogen-bonded Turntrans-68.8-43.3179.4-55.5176.8000108.4W15 F51 D56 F58 R74 N75 H321 I333W15-I72 HydrophobicContact CH2-CG2 3.7Å; W15-I72 WeakPolarHBondContact CH2-O 3.47Å; W15-I72 HydrophobicContact CZ3-CG2 4.05Å; F51-I72 HydrophobicContact CE1-CD1 4.24Å; D56-I72 WeakPolarHBondContact O-CB 3.45Å; D56-I72 PolarHBondContact O-N 3.33Å; F58-I72 HydrophobicContact CD1-CD1 4.02Å; F58-I72 HydrophobicContact CD1-CG1 4.24Å; F58-I72 HydrophobicContact CE1-CD1 3.99Å; F58-I72 HydrophobicContact CE1-CG1 4.05Å; I72-R74 PolarHBondContact O-N 3.12Å; I72-N75 PolarHBondContact O-N 2.86Å; I72-H321 HydrophobicContact CD1-CB 4.21Å; I72-I333 HydrophobicContact CD1-CD1 4.41Å; I72-I333 HydrophobicContact CD1-CG2 4.44Å
73S86.4Confident89.6Confident83 Ų8345.3 Ų45.358%0.5820%0.202SC*.THydrogen-bonded Turntrans-60.9-41.1-177.177.10000113.2D71D71-S73 PolarHBondContact OD1-N 3.48Å; D71-S73 VanDerWaalsContact OD1-N 3.09Å; D71-S73 PolarHBondContact OD1-OG 2.95Å
74R86.1Confident89.4Confident189 Ų18944.9 Ų44.971%0.71322%0.217SC*.THydrogen-bonded Turntrans-95.4-1-178.2-58.4-173.3-174.4138.6-11.6113.9D71 I72 R76D71-R74 HydrophobicContact CB-CB 4.36Å; D71-R74 PolarHBondContact OD1-N 3.22Å; D71-R74 WeakPolarHBondContact OD2-CD 3.28Å; D71-R74 VanDerWaalsContact OD2-CG 3.23Å; D71-R74 WeakPolarHBondContact OD2-CG 3.39Å; D71-R74 IonicContact OD2-CZ 3.89Å; D71-R74 IonicContact OD2-NE 2.85Å; D71-R74 IonicContact OD2-NH1 3.17Å; D71-R74 PolarHBondContact OD2-NH1 3.19Å; I72-R74 PolarHBondContact O-N 3.12Å; R74-R76 PolarHBondContact O-N 2.86Å
75N88.2Confident89.4Confident28 Ų2844.1 Ų44.115%0.1521%0.214CC..THydrogen-bonded Turntrans51.553.7-174.3-179.219.7000112K13 V14 W15 D71 I72K13-N75 WeakPolarHBondContact CA-O 3.48Å; V14-N75 WeakPolarHBondContact CA-OD1 3.49Å; V14-N75 WeakPolarHBondContact CB-OD1 3.42Å; V14-N75 PolarHBondContact N-OD1 3.3Å; W15-N75 HydrophobicContact CD2-CB 4.4Å; W15-N75 VanDerWaalsContact CE2-CG 3.48Å; W15-N75 HydrophobicContact CZ2-CB 3.81Å; W15-N75 PolarHBondContact N-OD1 3.24Å; W15-N75 VanDerWaalsContact NE1-CG 3.29Å; W15-N75 PolarHBondContact NE1-ND2 3.26Å; W15-N75 VanDerWaalsContact NE1-ND2 3.18Å; W15-N75 PolarHBondContact O-ND2 3.32Å; W15-N75 PolarHBondContact O-OD1 3Å; D71-N75 WeakPolarHBondContact O-CA 3.36Å; D71-N75 PolarHBondContact O-N 2.95Å; D71-N75 VanDerWaalsContact O-N 3.13Å; I72-N75 PolarHBondContact O-N 2.86Å
76R89.5Confident89.3Confident105 Ų10545.3 Ų45.340%0.39622%0.224SC..EExtended strand (participates in β ladder)trans-136.2138.8177.8-71.7-62.4-167.8132.34.2112.5E11 G12 V14 D71 R74E11-R76 IonicContact OE1-NH1 3.29Å; E11-R76 PolarHBondContact OE1-NH1 3.35Å; G12-R76 WeakPolarHBondContact O-CA 3.45Å; G12-R76 WeakPolarHBondContact O-CD 3.44Å; V14-R76 WeakPolarHBondContact CG2-O 3.46Å; D71-R76 PolarHBondContact N-O 3.01Å; D71-R76 PolarHBondContact O-N 3.15Å; D71-R76 VanDerWaalsContact O-N 3.08Å; R74-R76 PolarHBondContact O-N 2.86Å
77F91.8Very high89.2Confident3 Ų344.8 Ų44.81%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-115.5151.3164.474.7-102.7000110.4I6 K9 E11 G12 K13 V14 Y68 F69 F70I6-F77 HydrophobicContact CB-CZ 4.37Å; I6-F77 HydrophobicContact CG1-CE1 4.32Å; I6-F77 HydrophobicContact CG1-CZ 4.38Å; I6-F77 HydrophobicContact CG2-CD2 4.3Å; I6-F77 HydrophobicContact CG2-CE2 3.75Å; I6-F77 HydrophobicContact CG2-CZ 3.97Å; K9-F77 HydrophobicContact CB-CE2 4.18Å; K9-F77 HydrophobicContact CB-CZ 4.03Å; K9-F77 HydrophobicContact CD-CZ 4.35Å; E11-F77 VanDerWaalsContact CA-O 3.26Å; E11-F77 WeakPolarHBondContact CA-O 3.38Å; E11-F77 WeakPolarHBondContact CB-O 3.41Å; G12-F77 PolarHBondContact N-O 3.21Å; G12-F77 PolarHBondContact O-N 2.89Å; K13-F77 VanDerWaalsContact O-CD1 3.31Å; K13-F77 WeakPolarHBondContact O-CD1 3.48Å; K13-F77 VanDerWaalsContact O-CE1 3.28Å; K13-F77 WeakPolarHBondContact O-CE1 3.36Å; V14-F77 HydrophobicContact CG2-CB 4.2Å; Y68-F77 HydrophobicContact CD1-CD2 4.45Å; F69-F77 CarbonylContact O-C 3.58Å; F69-F77 VanDerWaalsContact O-CA 3.25Å; F69-F77 WeakPolarHBondContact O-CA 3.41Å; F70-F77 HydrophobicContact CD1-CB 3.47Å; F70-F77 VanDerWaalsContact CD1-CB 3.47Å; F70-F77 HydrophobicContact CE1-CB 3.56Å; F70-F77 HydrophobicContact CE1-CG 4.2Å; F70-F77 HydrophobicContact CG-CB 4.31Å; F70-F77 HydrophobicContact CZ-CB 4.48Å
78R91.8Very high89Confident101 Ų10146.2 Ų46.238%0.38123%0.23SC..EExtended strand (participates in β ladder)trans-141.1136.4173.7-65.9-172.6164.9147-1.7110.7E10 E11 Y68 F69 V80E10-R78 CarbonylContact O-C 3.59Å; E10-R78 WeakPolarHBondContact O-CA 3.39Å; E11-R78 HydrophobicContact CB-CB 4.49Å; E11-R78 HydrophobicContact CB-CG 3.85Å; E11-R78 IonicContact OE2-CZ 3.35Å; E11-R78 IonicContact OE2-NE 2.76Å; E11-R78 PolarHBondContact OE2-NE 3.22Å; E11-R78 IonicContact OE2-NH2 3.63Å; E11-R78 PolarHBondContact OE2-NH2 3.44Å; Y68-R78 CarbonylContact C-O 3.6Å; Y68-R78 WeakPolarHBondContact CA-O 3.42Å; F69-R78 PolarHBondContact N-O 2.92Å; F69-R78 PolarHBondContact O-N 3.04Å; R78-V80 PolarHBondContact O-N 3.21Å
79L91.5Very high88.8Confident5 Ų546.5 Ų46.53%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-70.9117.6159.7176.660.5000107.8E10 N66 Y68 R82 K117E10-L79 HydrophobicContact CB-CB 4.3Å; E10-L79 HydrophobicContact CG-CD2 4.12Å; E10-L79 PolarHBondContact O-N 3.14Å; N66-L79 HydrophobicContact CB-CD1 3.77Å; Y68-L79 HydrophobicContact CD1-CB 4.09Å; Y68-L79 HydrophobicContact CD1-CD1 4.38Å; Y68-L79 HydrophobicContact CD2-CD1 4.33Å; Y68-L79 HydrophobicContact CE1-CB 3.84Å; Y68-L79 HydrophobicContact CE1-CD1 4.15Å; Y68-L79 HydrophobicContact CE2-CD1 4.11Å; Y68-L79 HydrophobicContact CG-CD1 4.47Å; L79-R82 HydrophobicContact CD2-CG 4.15Å; L79-R82 VanDerWaalsContact CD2-NH2 3.31Å; L79-K117 WeakPolarHBondContact O-CE 3.29Å; L79-K117 PolarHBondContact O-NZ 3.04Å
80V91Very high88.8Confident8 Ų846.5 Ų46.55%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-90.6-53.8-179.8-178.70000110.3I67 F69 R78 F100 K114 K117I67-V80 PolarHBondContact O-N 3.44Å; F69-V80 HydrophobicContact CB-CG2 3.49Å; F69-V80 VanDerWaalsContact CB-CG2 3.49Å; R78-V80 PolarHBondContact O-N 3.21Å; V80-F100 HydrophobicContact CB-CZ 4.28Å; V80-F100 HydrophobicContact CG1-CE1 3.67Å; V80-F100 HydrophobicContact CG1-CZ 3.61Å; V80-K114 HydrophobicContact CG1-CB 4.37Å; V80-K117 HydrophobicContact CG1-CG 4.41Å; V80-K117 WeakPolarHBondContact O-CB 3.42Å; V80-K117 WeakPolarHBondContact O-CD 3.41Å
81Q90.9Very high88.7Confident46 Ų4646.9 Ų46.922%0.21524%0.237CC..EExtended strand (participates in β ladder)trans-139143.4-173.6-175.160.450.300111.6N66 I67 T83 F112 K117N66-Q81 WeakPolarHBondContact CA-O 3.4Å; I67-Q81 PolarHBondContact N-O 3.46Å; I67-Q81 PolarHBondContact O-N 3.34Å; Q81-T83 HydrophobicContact CG-CG2 3.78Å; Q81-F112 VanDerWaalsContact CD-CE1 3.5Å; Q81-F112 HydrophobicContact CG-CD1 3.91Å; Q81-F112 HydrophobicContact CG-CD2 4.49Å; Q81-F112 HydrophobicContact CG-CE1 3.58Å; Q81-F112 HydrophobicContact CG-CE2 4.18Å; Q81-F112 HydrophobicContact CG-CG 4.36Å; Q81-F112 HydrophobicContact CG-CZ 3.73Å; Q81-K117 PolarHBondContact OE1-O 2.75Å
82R89.9Confident88.5Confident135 Ų13547 Ų4751%0.50924%0.237SC..EExtended strand (participates in β ladder)trans-102.6113.2160-59.2-170.2170.8105.14.5108.1E10 N66 L79E10-R82 IonicContact OE1-CZ 3.18Å; E10-R82 IonicContact OE1-NH1 3.85Å; E10-R82 PolarHBondContact OE1-NH1 3.3Å; E10-R82 IonicContact OE1-NH2 3.85Å; E10-R82 PolarHBondContact OE1-NH2 3.41Å; N66-R82 WeakPolarHBondContact OD1-CG 3.26Å; L79-R82 HydrophobicContact CD2-CG 4.15Å; L79-R82 VanDerWaalsContact CD2-NH2 3.31Å
83T85Confident88.1Confident31 Ų3148.6 Ų48.619%0.1925%0.249CC..  trans-95.2-17178.162.20000112.9G65 I67 Q81 Q85 L104 F112G65-T83 VanDerWaalsContact CA-OG1 3.28Å; G65-T83 WeakPolarHBondContact CA-OG1 3.43Å; G65-T83 PolarHBondContact O-N 3.46Å; G65-T83 PolarHBondContact O-OG1 3.45Å; I67-T83 HydrophobicContact CG1-CG2 4.38Å; Q81-T83 HydrophobicContact CG-CG2 3.78Å; T83-Q85 PolarHBondContact O-N 2.88Å; T83-Q85 PolarHBondContact OG1-O 3Å; T83-L104 HydrophobicContact CG2-CD1 4.43Å; T83-L104 HydrophobicContact CG2-CD2 4.26Å; T83-F112 HydrophobicContact CG2-CE2 4.05Å; T83-F112 HydrophobicContact CG2-CZ 4.1Å
84G83Confident88Confident64 Ų6445 Ų4566%0.6622%0.224SC*.SBendtrans73.71.4179.900000115H64H64-G84 CarbonylContact O-C 3.51Å
85Q85.9Confident87.9Confident74 Ų7443.5 Ų43.535%0.34622%0.218SC..SBendtrans-139142.9178.9-64.5-179.8-0.300109.4G65 T83 C87 L104 D106G65-Q85 WeakPolarHBondContact CA-O 3.29Å; T83-Q85 PolarHBondContact O-N 2.88Å; T83-Q85 PolarHBondContact OG1-O 3Å; Q85-C87 PolarHBondContact O-N 2.81Å; Q85-L104 HydrophobicContact CB-CD2 4.32Å; Q85-L104 WeakPolarHBondContact O-CD2 3.4Å; Q85-D106 VanDerWaalsContact OE1-CB 3.29Å
86A85.6Confident87.7Confident26 Ų2648 Ų4822%0.21523%0.233CC..  trans-52.8136.2172.800000111.2L47 V105L47-A86 HydrophobicContact CD1-CB 4.04Å; A86-V105 HydrophobicContact CB-CG2 4.38Å
87C89.1Confident87.4Confident2 Ų247.1 Ų47.11%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-74.9146.416764.50000110.2H48 I67 Q85 L90 V102 A103 L104H48-C87 PolarHBondContact CD2-O 3.16Å; H48-C87 PolarHBondContact NE2-O 3.38Å; I67-C87 HydrophobicContact CD1-CB 4.28Å; Q85-C87 PolarHBondContact O-N 2.81Å; C87-L90 HydrophobicContact CB-CD2 4.04Å; C87-V102 HydrophobicContact CB-CG1 3.71Å; C87-A103 CarbonylContact C-O 3.6Å; C87-A103 WeakPolarHBondContact CA-O 3.34Å; C87-A103 WeakPolarHBondContact CB-O 3.39Å; C87-L104 HydrophobicContact CB-CD2 4.49Å
88T87.6Confident87.2Confident30 Ų3049.1 Ų49.118%0.18425%0.252CS..EExtended strand (participates in β ladder)trans-108-19176.762.90000112.7H48 A103 V105 V130H48-T88 PolarHBondContact CE1-O 3.32Å; H48-T88 PolarHBondContact NE2-O 3.36Å; T88-A103 PolarHBondContact N-O 2.72Å; T88-A103 WeakPolarHBondContact OG1-CB 3.42Å; T88-V105 HydrophobicContact CG2-CG2 3.9Å; T88-V130 VanDerWaalsContact CB-O 3.28Å; T88-V130 WeakPolarHBondContact CB-O 3.34Å; T88-V130 PolarHBondContact OG1-O 2.98Å
89A88.6Confident87.1Confident8 Ų845 Ų457%0.06624%0.237CC..EExtended strand (participates in β ladder)trans-159.7153169.600000110.1A103 I133A89-A103 HydrophobicContact CB-CB 4.1Å; A89-A103 PolarHBondContact O-N 3.32Å; A89-I133 HydrophobicContact CB-CD1 4.03Å; A89-I133 HydrophobicContact CB-CG1 3.85Å
90L92.9Very high87.2Confident20 Ų2044.7 Ų44.711%0.10524%0.236CC..EExtended strand (participates in β ladder)trans-128.5148.4176.1-63.7175.9000109.6H48 A50 I67 C87 L101 V102H48-L90 HydrophobicContact CB-CD1 3.93Å; H48-L90 HydrophobicContact CB-CG 4.06Å; A50-L90 HydrophobicContact CB-CB 3.93Å; I67-L90 HydrophobicContact CD1-CD2 4.15Å; C87-L90 HydrophobicContact CB-CD2 4.04Å; L90-L101 WeakPolarHBondContact CA-O 3.4Å; L90-V102 HydrophobicContact CD2-CB 4.17Å; L90-V102 HydrophobicContact CD2-CG1 3.88Å; L90-V102 HydrophobicContact CD2-CG2 3.87Å
91A91.3Very high87.3Confident9 Ų944.3 Ų44.37%0.07423%0.233CC..EExtended strand (participates in β ladder)trans-144.6133.2168.200000111.5L101 I133 V135A91-L101 HydrophobicContact CB-CB 4.4Å; A91-L101 PolarHBondContact N-O 3.15Å; A91-L101 PolarHBondContact O-N 3.11Å; A91-I133 HydrophobicContact CB-CB 4.06Å; A91-I133 HydrophobicContact CB-CG2 3.63Å; A91-V135 HydrophobicContact CB-CG2 3.86Å
92F85.7Confident87.5Confident7 Ų742.1 Ų42.13%0.03122%0.223CC..  trans-128.537-171.5-166.3-159.6000112.3A50 D52 L59 F69 F100 K114A50-F92 HydrophobicContact CB-CB 4.29Å; D52-F92 WeakPolarHBondContact CA-O 3.2Å; D52-F92 HydrophobicContact CB-CD1 3.62Å; D52-F92 HydrophobicContact CB-CE1 3.53Å; D52-F92 HydrophobicContact CB-CG 4.28Å; D52-F92 HydrophobicContact CB-CZ 4.11Å; L59-F92 HydrophobicContact CB-CD1 4.42Å; L59-F92 HydrophobicContact CD1-CB 3.91Å; L59-F92 HydrophobicContact CD1-CD1 3.94Å; L59-F92 HydrophobicContact CD1-CD2 3.81Å; L59-F92 HydrophobicContact CD1-CE1 4.37Å; L59-F92 HydrophobicContact CD1-CE2 4.26Å; L59-F92 HydrophobicContact CD1-CG 3.63Å; L59-F92 HydrophobicContact CD2-CE1 4.45Å; L59-F92 HydrophobicContact CG-CB 4.43Å; L59-F92 HydrophobicContact CG-CD1 3.65Å; L59-F92 HydrophobicContact CG-CD2 4.32Å; L59-F92 HydrophobicContact CG-CE1 3.84Å; L59-F92 HydrophobicContact CG-CE2 4.49Å; L59-F92 HydrophobicContact CG-CG 3.9Å; L59-F92 HydrophobicContact CG-CZ 4.26Å; F69-F92 AromaticContact CD2-CE1 3.79Å; F69-F92 HydrophobicContact CD2-CE1 3.79Å; F69-F92 AromaticContact CD2-CZ 3.72Å; F69-F92 HydrophobicContact CD2-CZ 3.72Å; F69-F92 AromaticContact CE2-CE1 3.69Å; F69-F92 HydrophobicContact CE2-CE1 3.69Å; F69-F92 AromaticContact CE2-CZ 3.57Å; F69-F92 HydrophobicContact CE2-CZ 3.57Å; F92-F100 HydrophobicContact CD2-CB 3.83Å; F92-F100 HydrophobicContact CE2-CB 4.43Å; F92-K114 HydrophobicContact CE2-CD 3.93Å; F92-K114 HydrophobicContact CZ-CD 3.84Å
93S79.2Confident87.6Confident46 Ų4635.7 Ų35.732%0.32220%0.199SC..  trans-130.940.8-172.2-44.30000112.2V135S93-V135 WeakPolarHBondContact O-CG1 3.35Å
94L84.4Confident87.9Confident8 Ų834.2 Ų34.24%0.04219%0.19CC..  trans-81.8162.4-179.7-51.2-178.5000111.6R96 E99 L101 V135 L155L94-R96 PolarHBondContact O-N 3.14Å; L94-E99 HydrophobicContact CD1-CB 3.65Å; L94-L101 HydrophobicContact CD1-CD2 4.34Å; L94-L101 HydrophobicContact CD1-CG 4.12Å; L94-L101 HydrophobicContact CD2-CD1 3.89Å; L94-L101 HydrophobicContact CD2-CG 3.9Å; L94-V135 HydrophobicContact CD2-CG1 4.13Å; L94-V135 HydrophobicContact CD2-CG2 3.97Å; L94-L155 HydrophobicContact CD2-CD1 3.56Å; L94-L155 HydrophobicContact CD2-CD2 4.39Å
95R83.5Confident88.1Confident157 Ų15735 Ų3559%0.59218%0.181SC*.SBendtrans-60.4-31.4177.7-176.5179.6-179.7-161.82.4112.6G139 D156R95-G139 WeakPolarHBondContact CB-O 3.48Å; R95-G139 PolarHBondContact N-O 3.37Å; R95-D156 VanDerWaalsContact NH1-CG 3.31Å; R95-D156 IonicContact NH1-OD1 3.64Å; R95-D156 PolarHBondContact NH1-OD1 3.03Å; R95-D156 IonicContact NH1-OD2 2.92Å; R95-D156 PolarHBondContact NH1-OD2 3.1Å
96R84.4Confident88.1Confident122 Ų12234.2 Ų34.246%0.4618%0.18SC..SBendtrans-95.5112171.1-64171.2-178.6-176.84.7107.6L94 T98 E99L94-R96 PolarHBondContact O-N 3.14Å; R96-T98 PolarHBondContact O-N 2.96Å; R96-T98 VanDerWaalsContact O-N 3.14Å; R96-E99 HydrophobicContact CB-CB 4.33Å; R96-E99 HydrophobicContact CB-CG 4.04Å; R96-E99 WeakPolarHBondContact CD-OE1 3.3Å; R96-E99 WeakPolarHBondContact CD-OE2 3.19Å; R96-E99 IonicContact CZ-OE1 3.2Å; R96-E99 IonicContact NE-OE1 2.92Å; R96-E99 IonicContact NH1-OE1 3.43Å; R96-E99 PolarHBondContact NH1-OE1 2.88Å; R96-E99 PolarHBondContact O-N 3.39Å; R96-E99 VanDerWaalsContact O-N 3.11Å
97T82.4Confident88.3Confident88 Ų8836.2 Ų36.254%0.5419%0.185SC..THydrogen-bonded Turntrans-72-5-172.354.20000114.3K114T97-K114 PolarHBondContact O-NZ 2.93Å
98T86.6Confident88.4Confident45 Ų4536.3 Ų36.328%0.27619%0.185SC..THydrogen-bonded Turntrans-88.5-22.8172.563.20000112.5R96 D113 K114 D115R96-T98 PolarHBondContact O-N 2.96Å; R96-T98 VanDerWaalsContact O-N 3.14Å; T98-D113 WeakPolarHBondContact CB-OD2 3.24Å; T98-D113 PolarHBondContact OG1-OD2 2.99Å; T98-K114 WeakPolarHBondContact O-CB 3.44Å; T98-K114 VanDerWaalsContact O-CG 3.26Å; T98-K114 WeakPolarHBondContact O-CG 3.23Å; T98-K114 PolarHBondContact O-N 3.01Å; T98-D115 WeakPolarHBondContact CG2-OD2 3.47Å
99E91.1Very high88.7Confident13 Ų1334.9 Ų34.96%0.06118%0.176CC..EExtended strand (participates in β ladder)trans-91.9155.5-174.3-64.9179-177.100113L94 R96 F112 D113 V120L94-E99 HydrophobicContact CD1-CB 3.65Å; R96-E99 HydrophobicContact CB-CB 4.33Å; R96-E99 HydrophobicContact CB-CG 4.04Å; R96-E99 WeakPolarHBondContact CD-OE1 3.3Å; R96-E99 WeakPolarHBondContact CD-OE2 3.19Å; R96-E99 IonicContact CZ-OE1 3.2Å; R96-E99 IonicContact NE-OE1 2.92Å; R96-E99 IonicContact NH1-OE1 3.43Å; R96-E99 PolarHBondContact NH1-OE1 2.88Å; R96-E99 PolarHBondContact O-N 3.39Å; R96-E99 VanDerWaalsContact O-N 3.11Å; E99-F112 CarbonylContact C-O 3.55Å; E99-F112 VanDerWaalsContact CA-O 3.3Å; E99-F112 WeakPolarHBondContact CA-O 3.4Å; E99-D113 HydrophobicContact CG-CB 4.44Å; E99-V120 HydrophobicContact CG-CG2 4.28Å
100F93.2Very high88.9Confident0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-151.2155.1174.963.8-81.9000113L59 I67 V80 F92 V102 C111 F112 K114L59-F100 HydrophobicContact CD1-CB 3.36Å; L59-F100 HydrophobicContact CD1-CD1 4.03Å; L59-F100 HydrophobicContact CD1-CD2 3.41Å; L59-F100 VanDerWaalsContact CD1-CD2 3.41Å; L59-F100 HydrophobicContact CD1-CE2 4.14Å; L59-F100 HydrophobicContact CD1-CG 3.33Å; I67-F100 HydrophobicContact CG2-CE2 3.84Å; I67-F100 HydrophobicContact CG2-CZ 4.37Å; V80-F100 HydrophobicContact CB-CZ 4.28Å; V80-F100 HydrophobicContact CG1-CE1 3.67Å; V80-F100 HydrophobicContact CG1-CZ 3.61Å; F92-F100 HydrophobicContact CD2-CB 3.83Å; F92-F100 HydrophobicContact CE2-CB 4.43Å; F100-V102 HydrophobicContact CD2-CG2 3.7Å; F100-V102 HydrophobicContact CE2-CG2 3.54Å; F100-C111 WeakPolarHBondContact O-CA 3.34Å; F100-F112 HydrophobicContact CD1-CB 4.27Å; F100-F112 WeakPolarHBondContact CD1-O 3.45Å; F100-F112 HydrophobicContact CE1-CB 3.59Å; F100-F112 WeakPolarHBondContact CE1-O 3.31Å; F100-F112 HydrophobicContact CE2-CB 3.92Å; F100-F112 HydrophobicContact CE2-CD2 4.18Å; F100-F112 HydrophobicContact CE2-CG 4.44Å; F100-F112 HydrophobicContact CZ-CB 3.41Å; F100-F112 VanDerWaalsContact CZ-CB 3.41Å; F100-F112 HydrophobicContact CZ-CD2 4.39Å; F100-F112 HydrophobicContact CZ-CG 4.21Å; F100-F112 PolarHBondContact N-O 3.23Å; F100-F112 PolarHBondContact O-N 3.09Å; F100-K114 HydrophobicContact CD1-CB 4.18Å; F100-K114 HydrophobicContact CE1-CB 4.02Å
101L93.9Very high88.9Confident0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-103.7136.9178.3-60177.5000111.8L90 A91 L94 I109 C111 M123 I133 A142 L155L90-L101 WeakPolarHBondContact CA-O 3.4Å; A91-L101 HydrophobicContact CB-CB 4.4Å; A91-L101 PolarHBondContact N-O 3.15Å; A91-L101 PolarHBondContact O-N 3.11Å; L94-L101 HydrophobicContact CD1-CD2 4.34Å; L94-L101 HydrophobicContact CD1-CG 4.12Å; L94-L101 HydrophobicContact CD2-CD1 3.89Å; L94-L101 HydrophobicContact CD2-CG 3.9Å; L101-I109 HydrophobicContact CB-CG2 4.14Å; L101-I109 HydrophobicContact CD2-CG2 4.39Å; L101-C111 HydrophobicContact CD2-CB 3.69Å; L101-M123 HydrophobicContact CD1-CE 4.44Å; L101-M123 HydrophobicContact CD2-CE 3.67Å; L101-I133 HydrophobicContact CB-CD1 4.09Å; L101-I133 HydrophobicContact CD1-CG2 4Å; L101-A142 HydrophobicContact CD1-CB 4.01Å; L101-L155 HydrophobicContact CD1-CD2 3.95Å; L101-L155 HydrophobicContact CD2-CD2 4.29Å
102V93.4Very high89.1Confident0 Ų035.3 Ų35.30%017%0.174CC..EExtended strand (participates in β ladder)trans-124.4115.7173-172.80000108.7I67 C87 L90 F100 L104 I109 K110 F112I67-V102 HydrophobicContact CD1-CG1 4.24Å; I67-V102 HydrophobicContact CG1-CG2 4.22Å; C87-V102 HydrophobicContact CB-CG1 3.71Å; L90-V102 HydrophobicContact CD2-CB 4.17Å; L90-V102 HydrophobicContact CD2-CG1 3.88Å; L90-V102 HydrophobicContact CD2-CG2 3.87Å; F100-V102 HydrophobicContact CD2-CG2 3.7Å; F100-V102 HydrophobicContact CE2-CG2 3.54Å; V102-L104 HydrophobicContact CG1-CD2 3.76Å; V102-L104 HydrophobicContact CG1-CG 4.05Å; V102-I109 CarbonylContact O-C 3.52Å; V102-I109 WeakPolarHBondContact O-CA 3.32Å; V102-K110 PolarHBondContact N-O 3.29Å; V102-K110 PolarHBondContact O-N 3.28Å; V102-F112 HydrophobicContact CB-CE2 4.4Å; V102-F112 HydrophobicContact CG2-CD2 3.96Å; V102-F112 HydrophobicContact CG2-CE2 4.21Å
103A92.8Very high89.3Confident0 Ų035.8 Ų35.80%018%0.177CC..EExtended strand (participates in β ladder)trans-83.8138.6164.100000109.6C87 T88 A89 I109 V130 I133C87-A103 CarbonylContact C-O 3.6Å; C87-A103 WeakPolarHBondContact CA-O 3.34Å; C87-A103 WeakPolarHBondContact CB-O 3.39Å; T88-A103 PolarHBondContact N-O 2.72Å; T88-A103 WeakPolarHBondContact OG1-CB 3.42Å; A89-A103 HydrophobicContact CB-CB 4.1Å; A89-A103 PolarHBondContact O-N 3.32Å; A103-I109 HydrophobicContact CB-CG1 4.29Å; A103-V130 HydrophobicContact CB-CB 3.87Å; A103-V130 HydrophobicContact CB-CG1 3.78Å; A103-I133 HydrophobicContact CB-CD1 3.91Å; A103-I133 HydrophobicContact CB-CG1 4.34Å
104L90.9Very high89.7Confident0 Ų035.4 Ų35.40%017%0.169CC..EExtended strand (participates in β ladder)trans-124163.1-175.1-67168.7000111.6T83 Q85 C87 V102 D106 H107 T108 K110T83-L104 HydrophobicContact CG2-CD1 4.43Å; T83-L104 HydrophobicContact CG2-CD2 4.26Å; Q85-L104 HydrophobicContact CB-CD2 4.32Å; Q85-L104 WeakPolarHBondContact O-CD2 3.4Å; C87-L104 HydrophobicContact CB-CD2 4.49Å; V102-L104 HydrophobicContact CG1-CD2 3.76Å; V102-L104 HydrophobicContact CG1-CG 4.05Å; L104-D106 WeakPolarHBondContact CB-OD1 3.44Å; L104-D106 PolarHBondContact O-N 3.21Å; L104-H107 PolarHBondContact O-N 2.94Å; L104-H107 VanDerWaalsContact O-N 3.09Å; L104-T108 PolarHBondContact N-O 3.07Å; L104-T108 VanDerWaalsContact N-O 3.08Å; L104-K110 HydrophobicContact CD1-CD 3.75Å; L104-K110 HydrophobicContact CD1-CG 4.12Å
105V87.5Confident89.9Confident79 Ų7939.6 Ų39.648%0.47919%0.192SC..THydrogen-bonded Turntrans-59.7-28.7177.2176.10000112.1A86 T88 H107A86-V105 HydrophobicContact CB-CG2 4.38Å; T88-V105 HydrophobicContact CG2-CG2 3.9Å; V105-H107 PolarHBondContact O-CE1 3.48Å; V105-H107 VanDerWaalsContact O-CE1 3.27Å; V105-H107 PolarHBondContact O-N 3.03Å; V105-H107 PolarHBondContact O-ND1 3.21Å
106D85.8Confident90.1Very high58 Ų5836 Ų3631%0.3119%0.188SC..THydrogen-bonded Turntrans-67.710.8172.772.70.5000115.8Q85 L104 T108 K110Q85-D106 VanDerWaalsContact OE1-CB 3.29Å; L104-D106 WeakPolarHBondContact CB-OD1 3.44Å; L104-D106 PolarHBondContact O-N 3.21Å; D106-T108 VanDerWaalsContact CG-OG1 3.28Å; D106-T108 PolarHBondContact O-N 3.47Å; D106-T108 VanDerWaalsContact OD1-CB 3.27Å; D106-T108 WeakPolarHBondContact OD1-CB 3.34Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.49Å; D106-T108 PolarHBondContact OD1-N 3.44Å; D106-T108 PolarHBondContact OD1-OG1 2.84Å; D106-T108 PolarHBondContact OD2-OG1 3.2Å; D106-K110 IonicContact OD1-NZ 2.82Å; D106-K110 IonicContact OD2-NZ 2.71Å; D106-K110 PolarHBondContact OD2-NZ 2.87Å
107H89.9Confident90.3Very high69 Ų6934.1 Ų34.132%0.31918%0.183SC..SBendtrans64.37.6179.3-45-9.1000113.7L104 V105L104-H107 PolarHBondContact O-N 2.94Å; L104-H107 VanDerWaalsContact O-N 3.09Å; V105-H107 PolarHBondContact O-CE1 3.48Å; V105-H107 VanDerWaalsContact O-CE1 3.27Å; V105-H107 PolarHBondContact O-N 3.03Å; V105-H107 PolarHBondContact O-ND1 3.21Å
108T90.8Very high90.6Very high3 Ų336.3 Ų36.32%0.01819%0.187CC..  trans-88.6150.5172.374.70000111.1L104 D106 K110 R124L104-T108 PolarHBondContact N-O 3.07Å; L104-T108 VanDerWaalsContact N-O 3.08Å; D106-T108 VanDerWaalsContact CG-OG1 3.28Å; D106-T108 PolarHBondContact O-N 3.47Å; D106-T108 VanDerWaalsContact OD1-CB 3.27Å; D106-T108 WeakPolarHBondContact OD1-CB 3.34Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.49Å; D106-T108 PolarHBondContact OD1-N 3.44Å; D106-T108 PolarHBondContact OD1-OG1 2.84Å; D106-T108 PolarHBondContact OD2-OG1 3.2Å; T108-K110 WeakPolarHBondContact OG1-CE 3.43Å; T108-K110 PolarHBondContact OG1-NZ 3.39Å; T108-R124 HydrophobicContact CG2-CG 3.69Å
109I94.3Very high90.9Very high0 Ų038.1 Ų38.10%019%0.194CC..EExtended strand (participates in β ladder)trans-111118.9164.4-50.7110000107.4L101 V102 A103 W122 M123 V130 I133 T144 W153L101-I109 HydrophobicContact CB-CG2 4.14Å; L101-I109 HydrophobicContact CD2-CG2 4.39Å; V102-I109 CarbonylContact O-C 3.52Å; V102-I109 WeakPolarHBondContact O-CA 3.32Å; A103-I109 HydrophobicContact CB-CG1 4.29Å; I109-W122 CarbonylContact O-C 3.55Å; I109-W122 WeakPolarHBondContact O-CA 3.45Å; I109-M123 HydrophobicContact CB-CB 4.35Å; I109-M123 HydrophobicContact CB-CE 4.11Å; I109-M123 HydrophobicContact CD1-CB 4.48Å; I109-M123 HydrophobicContact CG2-CE 3.85Å; I109-M123 PolarHBondContact N-O 3.04Å; I109-M123 PolarHBondContact O-N 2.85Å; I109-V130 HydrophobicContact CD1-CG2 4.14Å; I109-V130 HydrophobicContact CG1-CG2 4.24Å; I109-I133 HydrophobicContact CG2-CD1 4.25Å; I109-T144 HydrophobicContact CD1-CG2 3.86Å; I109-T144 HydrophobicContact CG1-CG2 4.06Å; I109-W153 HydrophobicContact CD1-CZ2 4.4Å
110K93.3Very high90.9Very high38 Ų3840.3 Ų40.317%0.16521%0.209CC..EExtended strand (participates in β ladder)trans-106.2135-177.5-61.3-169.4178.583.90109.5V102 L104 D106 T108 F112 L119 W122V102-K110 PolarHBondContact N-O 3.29Å; V102-K110 PolarHBondContact O-N 3.28Å; L104-K110 HydrophobicContact CD1-CD 3.75Å; L104-K110 HydrophobicContact CD1-CG 4.12Å; D106-K110 IonicContact OD1-NZ 2.82Å; D106-K110 IonicContact OD2-NZ 2.71Å; D106-K110 PolarHBondContact OD2-NZ 2.87Å; T108-K110 WeakPolarHBondContact OG1-CE 3.43Å; T108-K110 PolarHBondContact OG1-NZ 3.39Å; K110-F112 HydrophobicContact CB-CD2 4.23Å; K110-F112 HydrophobicContact CB-CE2 3.49Å; K110-F112 VanDerWaalsContact CB-CE2 3.49Å; K110-F112 HydrophobicContact CB-CZ 3.89Å; K110-F112 HydrophobicContact CD-CE2 4.46Å; K110-F112 HydrophobicContact CD-CZ 4.14Å; K110-L119 HydrophobicContact CB-CD1 3.83Å; K110-L119 HydrophobicContact CD-CD1 4.32Å; K110-L119 HydrophobicContact CG-CD1 4.36Å; K110-W122 HydrophobicContact CG-CB 4.06Å
111C93.4Very high90.8Very high0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-102.6123.2175.3-168.50000109.5F100 L101 V120 S121 F158F100-C111 WeakPolarHBondContact O-CA 3.34Å; L101-C111 HydrophobicContact CD2-CB 3.69Å; C111-V120 PolarHBondContact O-N 3.02Å; C111-S121 PolarHBondContact N-O 3.5Å; C111-S121 PolarHBondContact O-N 3.33Å; C111-F158 HydrophobicContact CB-CD1 4.14Å; C111-F158 HydrophobicContact CB-CE1 3.49Å; C111-F158 VanDerWaalsContact CB-CE1 3.49Å; C111-F158 HydrophobicContact CB-CZ 3.98Å; C111-F158 WeakPolarHBondContact SG-CE1 3.27Å
112F93.6Very high90.7Very high9 Ų947.7 Ų47.74%0.03924%0.242CC..EExtended strand (participates in β ladder)trans-120.6150.8180-64.8-84000110.1Q81 T83 E99 F100 V102 K110 Q118 L119Q81-F112 VanDerWaalsContact CD-CE1 3.5Å; Q81-F112 HydrophobicContact CG-CD1 3.91Å; Q81-F112 HydrophobicContact CG-CD2 4.49Å; Q81-F112 HydrophobicContact CG-CE1 3.58Å; Q81-F112 HydrophobicContact CG-CE2 4.18Å; Q81-F112 HydrophobicContact CG-CG 4.36Å; Q81-F112 HydrophobicContact CG-CZ 3.73Å; T83-F112 HydrophobicContact CG2-CE2 4.05Å; T83-F112 HydrophobicContact CG2-CZ 4.1Å; E99-F112 CarbonylContact C-O 3.55Å; E99-F112 VanDerWaalsContact CA-O 3.3Å; E99-F112 WeakPolarHBondContact CA-O 3.4Å; F100-F112 HydrophobicContact CD1-CB 4.27Å; F100-F112 WeakPolarHBondContact CD1-O 3.45Å; F100-F112 HydrophobicContact CE1-CB 3.59Å; F100-F112 WeakPolarHBondContact CE1-O 3.31Å; F100-F112 HydrophobicContact CE2-CB 3.92Å; F100-F112 HydrophobicContact CE2-CD2 4.18Å; F100-F112 HydrophobicContact CE2-CG 4.44Å; F100-F112 HydrophobicContact CZ-CB 3.41Å; F100-F112 VanDerWaalsContact CZ-CB 3.41Å; F100-F112 HydrophobicContact CZ-CD2 4.39Å; F100-F112 HydrophobicContact CZ-CG 4.21Å; F100-F112 PolarHBondContact N-O 3.23Å; F100-F112 PolarHBondContact O-N 3.09Å; V102-F112 HydrophobicContact CB-CE2 4.4Å; V102-F112 HydrophobicContact CG2-CD2 3.96Å; V102-F112 HydrophobicContact CG2-CE2 4.21Å; K110-F112 HydrophobicContact CB-CD2 4.23Å; K110-F112 HydrophobicContact CB-CE2 3.49Å; K110-F112 VanDerWaalsContact CB-CE2 3.49Å; K110-F112 HydrophobicContact CB-CZ 3.89Å; K110-F112 HydrophobicContact CD-CE2 4.46Å; K110-F112 HydrophobicContact CD-CZ 4.14Å; F112-Q118 WeakPolarHBondContact CA-O 3.34Å; F112-L119 HydrophobicContact CD1-CB 4.04Å; F112-L119 HydrophobicContact CD1-CD1 3.95Å; F112-L119 HydrophobicContact CE1-CB 3.87Å; F112-L119 HydrophobicContact CE1-CD1 3.53Å; F112-L119 HydrophobicContact CE1-CG 4.3Å; F112-L119 HydrophobicContact CE2-CD1 4.29Å; F112-L119 HydrophobicContact CG-CD1 4.47Å; F112-L119 HydrophobicContact CZ-CD1 3.72Å
113D91Very high90.7Very high17 Ų1747.8 Ų47.89%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-98.9132170.4174.7-80.8000109.9T98 E99 D115 T116 K117 Q118 V120T98-D113 WeakPolarHBondContact CB-OD2 3.24Å; T98-D113 PolarHBondContact OG1-OD2 2.99Å; E99-D113 HydrophobicContact CG-CB 4.44Å; D113-D115 PolarHBondContact OD1-N 3.07Å; D113-D115 VanDerWaalsContact OD1-N 3.11Å; D113-T116 WeakPolarHBondContact CB-OG1 3.31Å; D113-T116 VanDerWaalsContact CG-OG1 3.29Å; D113-T116 WeakPolarHBondContact OD1-CB 3.41Å; D113-T116 WeakPolarHBondContact OD1-CG2 3.48Å; D113-T116 PolarHBondContact OD1-N 3.21Å; D113-T116 PolarHBondContact OD1-OG1 3.43Å; D113-K117 WeakPolarHBondContact O-CA 3.44Å; D113-K117 PolarHBondContact O-N 3.02Å; D113-Q118 PolarHBondContact N-O 3.07Å; D113-V120 HydrophobicContact CB-CG2 3.7Å
114K87.8Confident90.5Very high37 Ų3755.4 Ų55.416%0.16127%0.271CS..THydrogen-bonded Turntrans-77.8-24.4-16980.2-166.1-177.5-166.60114.5F69 V80 F92 T97 T98 F100F69-K114 HydrophobicContact CE2-CD 4.35Å; V80-K114 HydrophobicContact CG1-CB 4.37Å; F92-K114 HydrophobicContact CE2-CD 3.93Å; F92-K114 HydrophobicContact CZ-CD 3.84Å; T97-K114 PolarHBondContact O-NZ 2.93Å; T98-K114 WeakPolarHBondContact O-CB 3.44Å; T98-K114 VanDerWaalsContact O-CG 3.26Å; T98-K114 WeakPolarHBondContact O-CG 3.23Å; T98-K114 PolarHBondContact O-N 3.01Å; F100-K114 HydrophobicContact CD1-CB 4.18Å; F100-K114 HydrophobicContact CE1-CB 4.02Å
115D87.7Confident90.1Very high97 Ų9756.5 Ų56.552%0.51928%0.282SS..THydrogen-bonded Turntrans-97.6-37.4-171.1-68.3-60000110.6T98 D113T98-D115 WeakPolarHBondContact CG2-OD2 3.47Å; D113-D115 PolarHBondContact OD1-N 3.07Å; D113-D115 VanDerWaalsContact OD1-N 3.11Å
116T87.4Confident90.1Very high82 Ų8253.4 Ų53.450%0.50326%0.262SS..THydrogen-bonded Turntrans-83.6-21170.4630000113.8D113 Q118D113-T116 WeakPolarHBondContact CB-OG1 3.31Å; D113-T116 VanDerWaalsContact CG-OG1 3.29Å; D113-T116 WeakPolarHBondContact OD1-CB 3.41Å; D113-T116 WeakPolarHBondContact OD1-CG2 3.48Å; D113-T116 PolarHBondContact OD1-N 3.21Å; D113-T116 PolarHBondContact OD1-OG1 3.43Å; T116-Q118 PolarHBondContact O-N 3.41Å; T116-Q118 PolarHBondContact OG1-N 3.32Å
117K89.1Confident90.1Very high82 Ų8257 Ų5736%0.35728%0.277SS..  trans60.325.4-171.9-51.8-173.5-176.9-164.40114.6L79 V80 Q81 D113L79-K117 WeakPolarHBondContact O-CE 3.29Å; L79-K117 PolarHBondContact O-NZ 3.04Å; V80-K117 HydrophobicContact CG1-CG 4.41Å; V80-K117 WeakPolarHBondContact O-CB 3.42Å; V80-K117 WeakPolarHBondContact O-CD 3.41Å; Q81-K117 PolarHBondContact OE1-O 2.75Å; D113-K117 WeakPolarHBondContact O-CA 3.44Å; D113-K117 PolarHBondContact O-N 3.02Å
118Q89.8Confident89.8Confident134 Ų13454.2 Ų54.263%0.62627%0.267SS*.  trans-101153.9-178.2-62.8-170.59.300112.8F112 D113 T116 V120F112-Q118 WeakPolarHBondContact CA-O 3.34Å; D113-Q118 PolarHBondContact N-O 3.07Å; T116-Q118 PolarHBondContact O-N 3.41Å; T116-Q118 PolarHBondContact OG1-N 3.32Å; Q118-V120 PolarHBondContact O-N 3.39Å
119L91.9Very high89.6Confident83 Ų8356.3 Ų56.344%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-75.4109.5169-179.873000108.6K110 F112 S121K110-L119 HydrophobicContact CB-CD1 3.83Å; K110-L119 HydrophobicContact CD-CD1 4.32Å; K110-L119 HydrophobicContact CG-CD1 4.36Å; F112-L119 HydrophobicContact CD1-CB 4.04Å; F112-L119 HydrophobicContact CD1-CD1 3.95Å; F112-L119 HydrophobicContact CE1-CB 3.87Å; F112-L119 HydrophobicContact CE1-CD1 3.53Å; F112-L119 HydrophobicContact CE1-CG 4.3Å; F112-L119 HydrophobicContact CE2-CD1 4.29Å; F112-L119 HydrophobicContact CG-CD1 4.47Å; F112-L119 HydrophobicContact CZ-CD1 3.72Å; L119-S121 WeakPolarHBondContact CD1-O 3.5Å
120V90.9Very high89.4Confident59 Ų5956.3 Ų56.336%0.35829%0.285SS..EExtended strand (participates in β ladder)trans-74.8-44.4178178.70000110.6E99 C111 D113 Q118 F158E99-V120 HydrophobicContact CG-CG2 4.28Å; C111-V120 PolarHBondContact O-N 3.02Å; D113-V120 HydrophobicContact CB-CG2 3.7Å; Q118-V120 PolarHBondContact O-N 3.39Å; V120-F158 HydrophobicContact CG1-CE2 3.92Å; V120-F158 HydrophobicContact CG1-CZ 4.14Å
121S92.6Very high89.2Confident33 Ų3358.5 Ų58.523%0.23130%0.302CS..EExtended strand (participates in β ladder)trans-165.9172.8179.5-166.80000111.7C111 L119 F158C111-S121 PolarHBondContact N-O 3.5Å; C111-S121 PolarHBondContact O-N 3.33Å; L119-S121 WeakPolarHBondContact CD1-O 3.5Å; S121-F158 VanDerWaalsContact OG-CB 3.24Å; S121-F158 WeakPolarHBondContact OG-CB 3.5Å; S121-F158 WeakPolarHBondContact OG-CG 3.48Å
122W90.5Very high89Confident122 Ų12259.3 Ų59.346%0.46231%0.307SS..EExtended strand (participates in β ladder)trans-144.2149.8172.458.8-92.2000112.1I109 K110 R124I109-W122 CarbonylContact O-C 3.55Å; I109-W122 WeakPolarHBondContact O-CA 3.45Å; K110-W122 HydrophobicContact CG-CB 4.06Å; W122-R124 HydrophobicContact CE3-CB 4.3Å; W122-R124 HydrophobicContact CE3-CG 3.78Å; W122-R124 HydrophobicContact CZ3-CB 3.89Å; W122-R124 VanDerWaalsContact CZ3-CD 3.45Å; W122-R124 HydrophobicContact CZ3-CG 3.56Å
123M93.3Very high89Confident2 Ų260 Ų601%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-120.7128.1-174.4-68.3174.7-7300109.3L101 I109 W153 L155 F158L101-M123 HydrophobicContact CD1-CE 4.44Å; L101-M123 HydrophobicContact CD2-CE 3.67Å; I109-M123 HydrophobicContact CB-CB 4.35Å; I109-M123 HydrophobicContact CB-CE 4.11Å; I109-M123 HydrophobicContact CD1-CB 4.48Å; I109-M123 HydrophobicContact CG2-CE 3.85Å; I109-M123 PolarHBondContact N-O 3.04Å; I109-M123 PolarHBondContact O-N 2.85Å; M123-W153 HydrophobicContact CB-CD2 4.19Å; M123-W153 HydrophobicContact CB-CE3 3.78Å; M123-W153 HydrophobicContact CB-CH2 3.93Å; M123-W153 HydrophobicContact CB-CZ2 4.29Å; M123-W153 HydrophobicContact CB-CZ3 3.62Å; M123-W153 HydrophobicContact CG-CD2 4.14Å; M123-W153 HydrophobicContact CG-CE3 3.6Å; M123-W153 HydrophobicContact CG-CZ3 3.87Å; M123-W153 HydrophobicContact SD-CB 3.77Å; M123-W153 HydrophobicContact SD-CD2 3.54Å; M123-W153 VanDerWaalsContact SD-CD2 3.54Å; M123-W153 HydrophobicContact SD-CE3 3.51Å; M123-W153 VanDerWaalsContact SD-CE3 3.51Å; M123-W153 HydrophobicContact SD-CG 3.63Å; M123-W153 HydrophobicContact SD-CZ3 4.35Å; M123-L155 HydrophobicContact CE-CD2 4.41Å; M123-F158 HydrophobicContact CE-CD1 4.19Å; M123-F158 HydrophobicContact CG-CB 4.23Å; M123-F158 WeakPolarHBondContact CG-O 3.38Å; M123-F158 HydrophobicContact SD-CB 4.47Å; M123-F158 HydrophobicContact SD-CD1 4.19Å
124R89.3Confident89Confident160 Ų16060.2 Ų60.260%0.60431%0.314SS*.  trans-126145.5173.6-82.5-176.9-168.1152.42.4110.4T108 W122 W153T108-R124 HydrophobicContact CG2-CG 3.69Å; W122-R124 HydrophobicContact CE3-CB 4.3Å; W122-R124 HydrophobicContact CE3-CG 3.78Å; W122-R124 HydrophobicContact CZ3-CB 3.89Å; W122-R124 VanDerWaalsContact CZ3-CD 3.45Å; W122-R124 HydrophobicContact CZ3-CG 3.56Å; R124-W153 WeakPolarHBondContact O-CH2 3.5Å
125G82.7Confident89.2Confident23 Ų2359.7 Ų59.724%0.23731%0.314CS..  trans158.6-12177.400000114.5Q151G125-Q151 VanDerWaalsContact C-NE2 3.28Å; G125-Q151 PolarHBondContact O-NE2 3.35Å; G125-Q151 PolarHBondContact O-OE1 2.94Å
126H87.4Confident89.3Confident14 Ų1455.6 Ų55.67%0.06529%0.292CS..  trans-79.3141.6167.9-75.1-85.7000111V130 T144 S146 T149H126-V130 HydrophobicContact CB-CG2 4.13Å; H126-T144 PolarHBondContact CE1-O 2.67Å; H126-T144 VanDerWaalsContact CE1-O 3.32Å; H126-T144 PolarHBondContact NE2-O 2.88Å; H126-T144 PolarHBondContact NE2-OG1 3.13Å; H126-S146 WeakPolarHBondContact ND1-CB 3.49Å; H126-S146 PolarHBondContact ND1-OG 3.25Å; H126-T149 PolarHBondContact CE1-O 3.46Å; H126-T149 PolarHBondContact ND1-OG1 3.01Å
127E84.7Confident89.1Confident133 Ų13355.4 Ų55.462%0.62129%0.293SS*.SBendtrans-97.6-6.8179.4-69.3143.7-114.900112.2K163E127-K163 IonicContact OE1-NZ 3.02Å; E127-K163 PolarHBondContact OE1-NZ 3.21Å
128G84.9Confident89Confident11 Ų1154.2 Ų54.211%0.11330%0.296CS..SBendtrans-145.9173.6176.100000111.7
129A86.6Confident88.9Confident46 Ų4648.1 Ų48.138%0.3827%0.268SS..  trans-59.9137.9-173.100000113.3T131A129-T131 PolarHBondContact O-N 3.08Å
130V90.6Very high88.7Confident0 Ų048.5 Ų48.50%026%0.264CS..  trans-80.9116.3-179.6172.60000110T88 A103 I109 H126 S132 I133 T145T88-V130 VanDerWaalsContact CB-O 3.28Å; T88-V130 WeakPolarHBondContact CB-O 3.34Å; T88-V130 PolarHBondContact OG1-O 2.98Å; A103-V130 HydrophobicContact CB-CB 3.87Å; A103-V130 HydrophobicContact CB-CG1 3.78Å; I109-V130 HydrophobicContact CD1-CG2 4.14Å; I109-V130 HydrophobicContact CG1-CG2 4.24Å; H126-V130 HydrophobicContact CB-CG2 4.13Å; V130-S132 WeakPolarHBondContact CG1-O 3.41Å; V130-I133 HydrophobicContact CG1-CG1 4.39Å; V130-T145 CarbonylContact C-O 3.57Å; V130-T145 WeakPolarHBondContact CA-O 3.42Å
131T88.1Confident88.7Confident85 Ų8547 Ų4752%0.52125%0.252SS..  trans-89.6-24.4-173.549.70000114A129 T145A129-T131 PolarHBondContact O-N 3.08Å; T131-T145 PolarHBondContact N-O 3.09Å; T131-T145 PolarHBondContact OG1-O 3.02Å; T131-T145 VanDerWaalsContact OG1-O 3.09Å; T131-T145 PolarHBondContact OG1-OG1 2.81Å
132S88.6Confident88.7Confident17 Ų1745.4 Ų45.412%0.11924%0.241CC..EExtended strand (participates in β ladder)trans-155.7154.4173.477.20000112.3V130 T144 T145V130-S132 WeakPolarHBondContact CG1-O 3.41Å; S132-T144 WeakPolarHBondContact O-CA 3.39Å; S132-T145 PolarHBondContact N-OG1 3.4Å; S132-T145 PolarHBondContact O-N 3.36Å; S132-T145 PolarHBondContact OG-OG1 3.26Å
133I93.4Very high88.8Confident23 Ų2339.8 Ų39.812%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-121.4133.4168.3-54.5169.5000106.7A89 A91 L101 A103 I109 V130 V135 I143 T144A89-I133 HydrophobicContact CB-CD1 4.03Å; A89-I133 HydrophobicContact CB-CG1 3.85Å; A91-I133 HydrophobicContact CB-CB 4.06Å; A91-I133 HydrophobicContact CB-CG2 3.63Å; L101-I133 HydrophobicContact CB-CD1 4.09Å; L101-I133 HydrophobicContact CD1-CG2 4Å; A103-I133 HydrophobicContact CB-CD1 3.91Å; A103-I133 HydrophobicContact CB-CG1 4.34Å; I109-I133 HydrophobicContact CG2-CD1 4.25Å; V130-I133 HydrophobicContact CG1-CG1 4.39Å; I133-V135 HydrophobicContact CG2-CG2 4.4Å; I133-I143 CarbonylContact C-O 3.59Å; I133-I143 WeakPolarHBondContact CA-O 3.39Å; I133-T144 HydrophobicContact CB-CG2 4.49Å; I133-T144 HydrophobicContact CG1-CG2 4.07Å; I133-T144 HydrophobicContact CG2-CG2 4.22Å
134S91.8Very high88.8Confident22 Ų2239.7 Ų39.715%0.15422%0.219CC..EExtended strand (participates in β ladder)trans-128.4125.8171.8177.70000109A142 I143 F176 F177S134-A142 CarbonylContact O-C 3.54Å; S134-A142 WeakPolarHBondContact O-CA 3.33Å; S134-I143 PolarHBondContact N-O 2.93Å; S134-I143 PolarHBondContact O-N 2.94Å; S134-F176 WeakPolarHBondContact OG-CA 3.27Å; S134-F176 WeakPolarHBondContact OG-CB 3.34Å; S134-F177 PolarHBondContact OG-N 3.04Å
135V91.5Very high88.8Confident26 Ų2632 Ų3216%0.15819%0.191CC..EExtended strand (participates in β ladder)trans-102.9137.7178.1-170.80000109.3A91 S93 L94 I133 Y141 A142 L155A91-V135 HydrophobicContact CB-CG2 3.86Å; S93-V135 WeakPolarHBondContact O-CG1 3.35Å; L94-V135 HydrophobicContact CD2-CG1 4.13Å; L94-V135 HydrophobicContact CD2-CG2 3.97Å; I133-V135 HydrophobicContact CG2-CG2 4.4Å; V135-Y141 WeakPolarHBondContact CG1-O 3.49Å; V135-A142 HydrophobicContact CG2-CB 4.45Å; V135-L155 HydrophobicContact CG1-CD1 4.03Å
136H90.1Very high89.1Confident11 Ų1131 Ų315%0.05118%0.179CC..  trans-67.2151.8176.2-174.5-116.2000111S138 G139 Y141 F177 S181H136-S138 PolarHBondContact ND1-N 3.13Å; H136-S138 PolarHBondContact ND1-OG 3.2Å; H136-S138 PolarHBondContact O-N 3.41Å; H136-G139 WeakPolarHBondContact O-CA 3.47Å; H136-G139 PolarHBondContact O-N 2.61Å; H136-Y141 WeakPolarHBondContact CB-O 3.21Å; H136-Y141 PolarHBondContact N-O 3.38Å; H136-F177 HydrophobicContact CB-CD1 4.02Å; H136-F177 HydrophobicContact CB-CD2 3.8Å; H136-F177 HydrophobicContact CB-CE1 4Å; H136-F177 HydrophobicContact CB-CE2 3.77Å; H136-F177 HydrophobicContact CB-CG 3.9Å; H136-F177 HydrophobicContact CB-CZ 3.87Å; H136-F177 AromaticContact CD2-CD1 3.51Å; H136-F177 AromaticContact CD2-CE1 3.93Å; H136-F177 AromaticContact CD2-CG 3.93Å; H136-F177 VanDerWaalsContact N-CD2 3.27Å; H136-S181 PolarHBondContact NE2-O 2.94Å
137S84.5Confident88.8Confident77 Ų7733.2 Ų33.254%0.53820%0.197SC..THydrogen-bonded Turntrans-65.2-10.5-177.553.10000115.1G139S137-G139 VanDerWaalsContact C-N 3.34Å
138S86Confident88.5Confident58 Ų5830.9 Ų30.941%0.40619%0.188SC..THydrogen-bonded Turntrans-84.4-4.7168.569.10000114.3H136 R140H136-S138 PolarHBondContact ND1-N 3.13Å; H136-S138 PolarHBondContact ND1-OG 3.2Å; H136-S138 PolarHBondContact O-N 3.41Å; S138-R140 PolarHBondContact O-N 3.42Å
139G87.1Confident88.6Confident5 Ų530.6 Ų30.65%0.05219%0.185CC..SBendtrans67.2-1.6-176.900000115.7R95 H136 S137 L155R95-G139 WeakPolarHBondContact CB-O 3.48Å; R95-G139 PolarHBondContact N-O 3.37Å; H136-G139 WeakPolarHBondContact O-CA 3.47Å; H136-G139 PolarHBondContact O-N 2.61Å; S137-G139 VanDerWaalsContact C-N 3.34Å; G139-L155 VanDerWaalsContact O-CD1 3.28Å; G139-L155 WeakPolarHBondContact O-CD1 3.44Å
140R89.1Confident88.7Confident91 Ų9128.6 Ų28.634%0.34317%0.168SC..SBendtrans-89.3-28.7-177.1176.1177.4172.5-176.8-3.3114.1S138 D154 L155 D156S138-R140 PolarHBondContact O-N 3.42Å; R140-D154 VanDerWaalsContact CG-OD1 3.31Å; R140-D154 WeakPolarHBondContact CG-OD1 3.49Å; R140-D154 IonicContact CZ-OD1 3.95Å; R140-D154 IonicContact CZ-OD2 3.23Å; R140-D154 IonicContact NE-OD1 2.93Å; R140-D154 PolarHBondContact NE-OD1 3.27Å; R140-D154 IonicContact NE-OD2 3.81Å; R140-D154 PolarHBondContact NE-OD2 3.35Å; R140-D154 IonicContact NH2-OD1 3.87Å; R140-D154 IonicContact NH2-OD2 3.23Å; R140-D154 PolarHBondContact NH2-OD2 3.39Å; R140-L155 WeakPolarHBondContact O-CB 3.38Å; R140-L155 WeakPolarHBondContact O-CG 3.26Å; R140-L155 PolarHBondContact O-N 3.47Å; R140-D156 WeakPolarHBondContact CD-OD2 3.42Å; R140-D156 WeakPolarHBondContact CG-OD2 3.37Å; R140-D156 IonicContact CZ-OD2 2.61Å; R140-D156 IonicContact NE-OD2 2.62Å; R140-D156 PolarHBondContact NE-OD2 2.98Å
141Y90.8Very high88.7Confident27 Ų2728.6 Ų28.611%0.10617%0.168CC..EExtended strand (participates in β ladder)trans-116.4139-177.4-60.9-60.7000111.2V135 H136 W153 D154 K161 F177V135-Y141 WeakPolarHBondContact CG1-O 3.49Å; H136-Y141 WeakPolarHBondContact CB-O 3.21Å; H136-Y141 PolarHBondContact N-O 3.38Å; Y141-W153 WeakPolarHBondContact CA-O 3.31Å; Y141-D154 HydrophobicContact CD1-CB 4.23Å; Y141-D154 HydrophobicContact CE1-CB 4.08Å; Y141-K161 HydrophobicContact CD1-CD 4.38Å; Y141-K161 HydrophobicContact CE1-CD 3.81Å; Y141-K161 VanDerWaalsContact CZ-NZ 3.27Å; Y141-K161 PolarHBondContact OH-NZ 2.9Å; Y141-F177 WeakPolarHBondContact O-CE2 3.25Å
142A92.5Very high88.9Confident0 Ų024.9 Ų24.90%015%0.145CC..EExtended strand (participates in β ladder)trans-121.5144.9170.300000110.8L101 S134 V135 W153 L155L101-A142 HydrophobicContact CD1-CB 4.01Å; S134-A142 CarbonylContact O-C 3.54Å; S134-A142 WeakPolarHBondContact O-CA 3.33Å; V135-A142 HydrophobicContact CG2-CB 4.45Å; A142-W153 PolarHBondContact N-O 3.11Å; A142-W153 VanDerWaalsContact N-O 3.09Å; A142-W153 PolarHBondContact O-N 3.38Å; A142-L155 HydrophobicContact CB-CD1 3.97Å; A142-L155 HydrophobicContact CB-CD2 3.91Å; A142-L155 HydrophobicContact CB-CG 4.13Å
143I92.1Very high89.1Confident4 Ų424.3 Ų24.32%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-114.1131.3167.5-69.9165.6000107.9I133 S134 Q151 L152 V175 F177 I184I133-I143 CarbonylContact C-O 3.59Å; I133-I143 WeakPolarHBondContact CA-O 3.39Å; S134-I143 PolarHBondContact N-O 2.93Å; S134-I143 PolarHBondContact O-N 2.94Å; I143-Q151 WeakPolarHBondContact CA-O 3.28Å; I143-L152 HydrophobicContact CD1-CD1 4.24Å; I143-L152 HydrophobicContact CG1-CB 4.42Å; I143-L152 HydrophobicContact CG1-CD1 3.69Å; I143-V175 HydrophobicContact CG2-CB 4.09Å; I143-V175 HydrophobicContact CG2-CG1 3.95Å; I143-F177 HydrophobicContact CB-CE2 4.11Å; I143-F177 HydrophobicContact CD1-CD1 4.08Å; I143-F177 HydrophobicContact CD1-CD2 3.98Å; I143-F177 HydrophobicContact CD1-CE1 3.68Å; I143-F177 HydrophobicContact CD1-CE2 3.58Å; I143-F177 HydrophobicContact CD1-CG 4.23Å; I143-F177 HydrophobicContact CD1-CZ 3.42Å; I143-F177 VanDerWaalsContact CD1-CZ 3.42Å; I143-F177 HydrophobicContact CG1-CD2 4.29Å; I143-F177 HydrophobicContact CG1-CE1 4.37Å; I143-F177 HydrophobicContact CG1-CE2 3.56Å; I143-F177 HydrophobicContact CG1-CZ 3.61Å; I143-I184 HydrophobicContact CD1-CB 4.23Å; I143-I184 HydrophobicContact CD1-CD1 3.47Å; I143-I184 VanDerWaalsContact CD1-CD1 3.47Å; I143-I184 HydrophobicContact CD1-CG1 3.55Å; I143-I184 HydrophobicContact CD1-CG2 3.64Å
144T92.3Very high89Confident0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-119.2138.6175.257.10000109.7I109 H126 S132 I133 A150 Q151 W153I109-T144 HydrophobicContact CD1-CG2 3.86Å; I109-T144 HydrophobicContact CG1-CG2 4.06Å; H126-T144 PolarHBondContact CE1-O 2.67Å; H126-T144 VanDerWaalsContact CE1-O 3.32Å; H126-T144 PolarHBondContact NE2-O 2.88Å; H126-T144 PolarHBondContact NE2-OG1 3.13Å; S132-T144 WeakPolarHBondContact O-CA 3.39Å; I133-T144 HydrophobicContact CB-CG2 4.49Å; I133-T144 HydrophobicContact CG1-CG2 4.07Å; I133-T144 HydrophobicContact CG2-CG2 4.22Å; T144-A150 CarbonylContact O-C 3.56Å; T144-A150 WeakPolarHBondContact O-CA 3.49Å; T144-Q151 PolarHBondContact N-O 2.88Å; T144-Q151 PolarHBondContact O-N 2.95Å; T144-W153 PolarHBondContact OG1-NE1 3.46Å
145T90.6Very high88.9Confident0 Ų023.3 Ų23.30%013%0.133CC..EExtended strand (participates in β ladder)trans-113.5141.3-178.659.40000112.1V130 T131 S132 A150 I172 V175V130-T145 CarbonylContact C-O 3.57Å; V130-T145 WeakPolarHBondContact CA-O 3.42Å; T131-T145 PolarHBondContact N-O 3.09Å; T131-T145 PolarHBondContact OG1-O 3.02Å; T131-T145 VanDerWaalsContact OG1-O 3.09Å; T131-T145 PolarHBondContact OG1-OG1 2.81Å; S132-T145 PolarHBondContact N-OG1 3.4Å; S132-T145 PolarHBondContact O-N 3.36Å; S132-T145 PolarHBondContact OG-OG1 3.26Å; T145-A150 HydrophobicContact CG2-CB 4.22Å; T145-I172 HydrophobicContact CG2-CG2 4.45Å; T145-V175 HydrophobicContact CG2-CB 3.55Å; T145-V175 HydrophobicContact CG2-CG2 3.76Å
146S88.1Confident88.8Confident0 Ų024.7 Ų24.70%014%0.14CC..  trans-118.5177.5159.149.80000107.8H126 D148 T149H126-S146 WeakPolarHBondContact ND1-CB 3.49Å; H126-S146 PolarHBondContact ND1-OG 3.25Å; S146-D148 PolarHBondContact O-N 2.99Å; S146-T149 PolarHBondContact N-O 3Å; S146-T149 PolarHBondContact OG-N 2.97Å; S146-T149 VanDerWaalsContact OG-N 3.16Å; S146-T149 PolarHBondContact OG-O 3.37Å; S146-T149 PolarHBondContact OG-OG1 3.22Å
147S81.8Confident88.7Confident61 Ų6127.8 Ų27.843%0.42716%0.159SC..SBendtrans-57.1-34.4172.437.50000112.9I172S147-I172 PolarHBondContact O-N 2.76Å
148D77.9Confident89Confident84 Ų8425.3 Ų25.345%0.44914%0.139SC..SBendtrans-108.2-26.5-162.8-18.7-65.3000112S146S146-D148 PolarHBondContact O-N 2.99Å
149T87.3Confident89.2Confident6 Ų629 Ų294%0.03715%0.15CC..EExtended strand (participates in β ladder)trans-143.9146.7-17672.50000112.4H126 S146 Q151H126-T149 PolarHBondContact CE1-O 3.46Å; H126-T149 PolarHBondContact ND1-OG1 3.01Å; S146-T149 PolarHBondContact N-O 3Å; S146-T149 PolarHBondContact OG-N 2.97Å; S146-T149 VanDerWaalsContact OG-N 3.16Å; S146-T149 PolarHBondContact OG-O 3.37Å; S146-T149 PolarHBondContact OG-OG1 3.22Å; T149-Q151 PolarHBondContact OG1-NE2 3.47Å
150A89.8Confident89.4Confident3 Ų334.4 Ų34.43%0.02517%0.169CC..EExtended strand (participates in β ladder)trans-116.4138.6164.300000109.7T144 T145 L164 I172 V175T144-A150 CarbonylContact O-C 3.56Å; T144-A150 WeakPolarHBondContact O-CA 3.49Å; T145-A150 HydrophobicContact CG2-CB 4.22Å; A150-L164 HydrophobicContact CB-CB 4.35Å; A150-L164 HydrophobicContact CB-CD2 4.49Å; A150-L164 PolarHBondContact N-O 3.22Å; A150-L164 PolarHBondContact O-N 3.41Å; A150-I172 HydrophobicContact CB-CD1 3.97Å; A150-V175 HydrophobicContact CB-CB 4.21Å; A150-V175 HydrophobicContact CB-CG2 3.77Å
151Q90.8Very high89.4Confident1 Ų133.4 Ų33.41%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-129.6131.5-171.3-53-164.831.500110.2G125 I143 T144 T149 W153 R160 K163G125-Q151 VanDerWaalsContact C-NE2 3.28Å; G125-Q151 PolarHBondContact O-NE2 3.35Å; G125-Q151 PolarHBondContact O-OE1 2.94Å; I143-Q151 WeakPolarHBondContact CA-O 3.28Å; T144-Q151 PolarHBondContact N-O 2.88Å; T144-Q151 PolarHBondContact O-N 2.95Å; T149-Q151 PolarHBondContact OG1-NE2 3.47Å; Q151-W153 HydrophobicContact CB-CZ2 3.89Å; Q151-W153 PolarHBondContact O-NE1 3.33Å; Q151-R160 HydrophobicContact CB-CG 4.48Å; Q151-R160 VanDerWaalsContact OE1-NH1 3.13Å; Q151-K163 HydrophobicContact CG-CG 4.08Å
152L91.8Very high89.2Confident6 Ų636 Ų363%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-100.5120.8-179.2174.465.8000108.7I143 R160 K161 R162 F177I143-L152 HydrophobicContact CD1-CD1 4.24Å; I143-L152 HydrophobicContact CG1-CB 4.42Å; I143-L152 HydrophobicContact CG1-CD1 3.69Å; L152-R160 CarbonylContact O-C 3.53Å; L152-K161 HydrophobicContact CD2-CB 4.43Å; L152-K161 HydrophobicContact CD2-CD 4.16Å; L152-K161 HydrophobicContact CD2-CG 4.39Å; L152-K161 HydrophobicContact CG-CB 4.27Å; L152-K161 PolarHBondContact O-N 3.05Å; L152-R162 HydrophobicContact CB-CB 4.43Å; L152-R162 PolarHBondContact N-O 2.91Å; L152-R162 PolarHBondContact O-N 3.37Å; L152-F177 HydrophobicContact CD1-CE1 4.43Å; L152-F177 HydrophobicContact CD1-CZ 3.69Å
153W92.6Very high88.9Confident5 Ų539.1 Ų39.12%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-111.8141-177.1-52.589.3000110.6I109 M123 R124 Y141 A142 T144 Q151 Q159 R160I109-W153 HydrophobicContact CD1-CZ2 4.4Å; M123-W153 HydrophobicContact CB-CD2 4.19Å; M123-W153 HydrophobicContact CB-CE3 3.78Å; M123-W153 HydrophobicContact CB-CH2 3.93Å; M123-W153 HydrophobicContact CB-CZ2 4.29Å; M123-W153 HydrophobicContact CB-CZ3 3.62Å; M123-W153 HydrophobicContact CG-CD2 4.14Å; M123-W153 HydrophobicContact CG-CE3 3.6Å; M123-W153 HydrophobicContact CG-CZ3 3.87Å; M123-W153 HydrophobicContact SD-CB 3.77Å; M123-W153 HydrophobicContact SD-CD2 3.54Å; M123-W153 VanDerWaalsContact SD-CD2 3.54Å; M123-W153 HydrophobicContact SD-CE3 3.51Å; M123-W153 VanDerWaalsContact SD-CE3 3.51Å; M123-W153 HydrophobicContact SD-CG 3.63Å; M123-W153 HydrophobicContact SD-CZ3 4.35Å; R124-W153 WeakPolarHBondContact O-CH2 3.5Å; Y141-W153 WeakPolarHBondContact CA-O 3.31Å; A142-W153 PolarHBondContact N-O 3.11Å; A142-W153 VanDerWaalsContact N-O 3.09Å; A142-W153 PolarHBondContact O-N 3.38Å; T144-W153 PolarHBondContact OG1-NE1 3.46Å; Q151-W153 HydrophobicContact CB-CZ2 3.89Å; Q151-W153 PolarHBondContact O-NE1 3.33Å; W153-Q159 WeakPolarHBondContact CA-O 3.4Å; W153-R160 HydrophobicContact CD2-CB 4.46Å; W153-R160 HydrophobicContact CE3-CB 3.83Å; W153-R160 HydrophobicContact CH2-CB 3.95Å; W153-R160 HydrophobicContact CH2-CG 4.35Å; W153-R160 HydrophobicContact CZ3-CB 3.56Å; W153-R160 HydrophobicContact CZ3-CG 4.37Å
154D91Very high88.2Confident16 Ų1640.4 Ų40.49%0.08620%0.197CC..EExtended strand (participates in β ladder)trans-91.8122.1162.8-161.4-26.3000108.4R140 Y141 D156 F158 Q159R140-D154 VanDerWaalsContact CG-OD1 3.31Å; R140-D154 WeakPolarHBondContact CG-OD1 3.49Å; R140-D154 IonicContact CZ-OD1 3.95Å; R140-D154 IonicContact CZ-OD2 3.23Å; R140-D154 IonicContact NE-OD1 2.93Å; R140-D154 PolarHBondContact NE-OD1 3.27Å; R140-D154 IonicContact NE-OD2 3.81Å; R140-D154 PolarHBondContact NE-OD2 3.35Å; R140-D154 IonicContact NH2-OD1 3.87Å; R140-D154 IonicContact NH2-OD2 3.23Å; R140-D154 PolarHBondContact NH2-OD2 3.39Å; Y141-D154 HydrophobicContact CD1-CB 4.23Å; Y141-D154 HydrophobicContact CE1-CB 4.08Å; D154-D156 PolarHBondContact OD1-N 2.97Å; D154-F158 WeakPolarHBondContact O-CA 3.43Å; D154-F158 PolarHBondContact O-N 2.99Å; D154-Q159 PolarHBondContact N-O 2.94Å; D154-Q159 PolarHBondContact O-N 2.92Å
155L90.5Very high87.1Confident8 Ų845.5 Ų45.54%0.04222%0.224CC..THydrogen-bonded Turntrans-86.3-16.9-175.1-60.5165.6000112.2L94 L101 M123 V135 G139 R140 A142 T157 F158L94-L155 HydrophobicContact CD2-CD1 3.56Å; L94-L155 HydrophobicContact CD2-CD2 4.39Å; L101-L155 HydrophobicContact CD1-CD2 3.95Å; L101-L155 HydrophobicContact CD2-CD2 4.29Å; M123-L155 HydrophobicContact CE-CD2 4.41Å; V135-L155 HydrophobicContact CG1-CD1 4.03Å; G139-L155 VanDerWaalsContact O-CD1 3.28Å; G139-L155 WeakPolarHBondContact O-CD1 3.44Å; R140-L155 WeakPolarHBondContact O-CB 3.38Å; R140-L155 WeakPolarHBondContact O-CG 3.26Å; R140-L155 PolarHBondContact O-N 3.47Å; A142-L155 HydrophobicContact CB-CD1 3.97Å; A142-L155 HydrophobicContact CB-CD2 3.91Å; A142-L155 HydrophobicContact CB-CG 4.13Å; L155-T157 PolarHBondContact O-N 2.91Å; L155-F158 HydrophobicContact CD2-CD1 4.38Å; L155-F158 HydrophobicContact CD2-CE1 4.2Å; L155-F158 WeakPolarHBondContact O-CE2 3.37Å; L155-F158 WeakPolarHBondContact O-CZ 3.31Å
156D89.3Confident85.9Confident55 Ų5547.8 Ų47.829%0.29424%0.236SC..THydrogen-bonded Turntrans-71.4-18.2170.7-72.2-29.3000111.1R95 R140 D154R95-D156 VanDerWaalsContact NH1-CG 3.31Å; R95-D156 IonicContact NH1-OD1 3.64Å; R95-D156 PolarHBondContact NH1-OD1 3.03Å; R95-D156 IonicContact NH1-OD2 2.92Å; R95-D156 PolarHBondContact NH1-OD2 3.1Å; R140-D156 WeakPolarHBondContact CD-OD2 3.42Å; R140-D156 WeakPolarHBondContact CG-OD2 3.37Å; R140-D156 IonicContact CZ-OD2 2.61Å; R140-D156 IonicContact NE-OD2 2.62Å; R140-D156 PolarHBondContact NE-OD2 2.98Å; D154-D156 PolarHBondContact OD1-N 2.97Å
157T88.3Confident84.6Confident76 Ų7657.9 Ų57.947%0.46627%0.274SS..THydrogen-bonded Turntrans-126-11.6179.165.50000115.2L155 Q159L155-T157 PolarHBondContact O-N 2.91Å; T157-Q159 PolarHBondContact O-N 3.18Å; T157-Q159 PolarHBondContact OG1-N 3.38Å
158F89.6Confident83.5Confident25 Ų2565 Ų6511%0.1130%0.3CS..THydrogen-bonded Turntrans55.127.2-170.3-59.2-79.6000115.2C111 V120 S121 M123 D154 L155C111-F158 HydrophobicContact CB-CD1 4.14Å; C111-F158 HydrophobicContact CB-CE1 3.49Å; C111-F158 VanDerWaalsContact CB-CE1 3.49Å; C111-F158 HydrophobicContact CB-CZ 3.98Å; C111-F158 WeakPolarHBondContact SG-CE1 3.27Å; V120-F158 HydrophobicContact CG1-CE2 3.92Å; V120-F158 HydrophobicContact CG1-CZ 4.14Å; S121-F158 VanDerWaalsContact OG-CB 3.24Å; S121-F158 WeakPolarHBondContact OG-CB 3.5Å; S121-F158 WeakPolarHBondContact OG-CG 3.48Å; M123-F158 HydrophobicContact CE-CD1 4.19Å; M123-F158 HydrophobicContact CG-CB 4.23Å; M123-F158 WeakPolarHBondContact CG-O 3.38Å; M123-F158 HydrophobicContact SD-CB 4.47Å; M123-F158 HydrophobicContact SD-CD1 4.19Å; D154-F158 WeakPolarHBondContact O-CA 3.43Å; D154-F158 PolarHBondContact O-N 2.99Å; L155-F158 HydrophobicContact CD2-CD1 4.38Å; L155-F158 HydrophobicContact CD2-CE1 4.2Å; L155-F158 WeakPolarHBondContact O-CE2 3.37Å; L155-F158 WeakPolarHBondContact O-CZ 3.31Å
159Q90.2Very high82.6Confident137 Ų13765.9 Ų65.964%0.6431%0.313SS*.EExtended strand (participates in β ladder)trans-103.8150.6178.7-64.5-173.21.200112.7W153 D154 T157 K161W153-Q159 WeakPolarHBondContact CA-O 3.4Å; D154-Q159 PolarHBondContact N-O 2.94Å; D154-Q159 PolarHBondContact O-N 2.92Å; T157-Q159 PolarHBondContact O-N 3.18Å; T157-Q159 PolarHBondContact OG1-N 3.38Å; Q159-K161 PolarHBondContact O-N 2.73Å; Q159-K161 VanDerWaalsContact O-N 3.15Å
160R91.1Very high81.7Confident117 Ų11767.7 Ų67.744%0.44232%0.324SS..EExtended strand (participates in β ladder)trans-74.2101.9176.7-172.517767.2-163.6-3.9110.6Q151 L152 W153 R162Q151-R160 HydrophobicContact CB-CG 4.48Å; Q151-R160 VanDerWaalsContact OE1-NH1 3.13Å; L152-R160 CarbonylContact O-C 3.53Å; W153-R160 HydrophobicContact CD2-CB 4.46Å; W153-R160 HydrophobicContact CE3-CB 3.83Å; W153-R160 HydrophobicContact CH2-CB 3.95Å; W153-R160 HydrophobicContact CH2-CG 4.35Å; W153-R160 HydrophobicContact CZ3-CB 3.56Å; W153-R160 HydrophobicContact CZ3-CG 4.37Å; R160-R162 WeakPolarHBondContact CG-O 3.46Å
161K89.1Confident81.2Confident70 Ų7068.9 Ų68.930%0.30434%0.336SS..EExtended strand (participates in β ladder)trans-64.3-42.6174.4-172.9175.1175.2-175.50111.7Y141 L152 Q159 D199Y141-K161 HydrophobicContact CD1-CD 4.38Å; Y141-K161 HydrophobicContact CE1-CD 3.81Å; Y141-K161 VanDerWaalsContact CZ-NZ 3.27Å; Y141-K161 PolarHBondContact OH-NZ 2.9Å; L152-K161 HydrophobicContact CD2-CB 4.43Å; L152-K161 HydrophobicContact CD2-CD 4.16Å; L152-K161 HydrophobicContact CD2-CG 4.39Å; L152-K161 HydrophobicContact CG-CB 4.27Å; L152-K161 PolarHBondContact O-N 3.05Å; Q159-K161 PolarHBondContact O-N 2.73Å; Q159-K161 VanDerWaalsContact O-N 3.15Å; K161-D199 IonicContact NZ-OD1 2.59Å; K161-D199 PolarHBondContact NZ-OD1 3.4Å
162R86.1Confident81Confident83 Ų8369.1 Ų69.131%0.31334%0.338SS..EExtended strand (participates in β ladder)trans-151.6157.2173.6-69.1-164.6-176.7100.10.2113.5L152 R160 S198 D199 L201L152-R162 HydrophobicContact CB-CB 4.43Å; L152-R162 PolarHBondContact N-O 2.91Å; L152-R162 PolarHBondContact O-N 3.37Å; R160-R162 WeakPolarHBondContact CG-O 3.46Å; R162-S198 PolarHBondContact NH1-O 3.48Å; R162-D199 VanDerWaalsContact CZ-O 3.26Å; R162-D199 PolarHBondContact NH1-O 3.33Å; R162-D199 PolarHBondContact NH2-O 2.98Å; R162-L201 HydrophobicContact CB-CD1 3.81Å; R162-L201 VanDerWaalsContact CD-CD1 3.49Å; R162-L201 HydrophobicContact CG-CD1 4.27Å
163K86.8Confident80.8Confident65 Ų6571.8 Ų71.828%0.28335%0.35SS..EExtended strand (participates in β ladder)trans-114.9121167.8-171.6-178-173.7-171.50108.3E127 Q151 N165E127-K163 IonicContact OE1-NZ 3.02Å; E127-K163 PolarHBondContact OE1-NZ 3.21Å; Q151-K163 HydrophobicContact CG-CG 4.08Å; K163-N165 WeakPolarHBondContact CD-OD1 3.43Å; K163-N165 WeakPolarHBondContact CE-OD1 3.16Å; K163-N165 WeakPolarHBondContact CG-OD1 3.48Å
164L78.8Confident80.6Confident30 Ų3074.7 Ų74.716%0.15736%0.363CS..EExtended strand (participates in β ladder)trans-88.1102.3169.4-174.570.7000107.8A150 I166A150-L164 HydrophobicContact CB-CB 4.35Å; A150-L164 HydrophobicContact CB-CD2 4.49Å; A150-L164 PolarHBondContact N-O 3.22Å; A150-L164 PolarHBondContact O-N 3.41Å; L164-I166 HydrophobicContact CD2-CD1 3.96Å; L164-I166 HydrophobicContact CG-CD1 3.81Å
165N68.6Low80.6Confident108 Ų10874 Ų7458%0.57836%0.359SS*.EExtended strand (participates in β ladder)trans-88.4136170.6-65.1-29000108.8K163K163-N165 WeakPolarHBondContact CD-OD1 3.43Å; K163-N165 WeakPolarHBondContact CE-OD1 3.16Å; K163-N165 WeakPolarHBondContact CG-OD1 3.48Å
166I63.9Low80.7Confident47 Ų4774.5 Ų74.524%0.24136%0.361CS..  trans-118.4158.3171.7-65.2103.6000109L164 V170 I172 F188L164-I166 HydrophobicContact CD2-CD1 3.96Å; L164-I166 HydrophobicContact CG-CD1 3.81Å; I166-V170 HydrophobicContact CG2-CB 4.18Å; I166-V170 WeakPolarHBondContact CG2-O 3.35Å; I166-I172 HydrophobicContact CD1-CD1 3.66Å; I166-I172 HydrophobicContact CD1-CG1 3.83Å; I166-F188 HydrophobicContact CB-CE1 4.32Å; I166-F188 HydrophobicContact CD1-CE1 3.76Å; I166-F188 HydrophobicContact CD1-CZ 4.12Å; I166-F188 HydrophobicContact CG1-CE1 3.64Å; I166-F188 HydrophobicContact CG1-CZ 3.88Å; I166-F188 HydrophobicContact CG2-CE1 4.01Å
167R60.9Low80.8Confident213 Ų21372.4 Ų72.480%0.80435%0.35SS*.  trans-61.3138175.6-64.7-173.7179.7-152.61109.7S169 V170R167-S169 PolarHBondContact O-N 3.39Å; R167-V170 PolarHBondContact O-N 2.95Å
168Q59.2Low80.8Confident209 Ų20969.4 Ų69.498%0.97733%0.33SS*.THydrogen-bonded Turntrans-53.8-18.1-178-68.1169.9-32.100114.7
169S58.6Low80.5Confident104 Ų10470.2 Ų70.273%0.72734%0.338SS*.THydrogen-bonded Turntrans-79-9.1176.8600000115.4R167R167-S169 PolarHBondContact O-N 3.39Å
170V68.1Low79.8Confident44 Ų4470 Ų7027%0.26734%0.34SS..SBendtrans-134.7106.9-178.6-173.40000110.2I166 R167 F188I166-V170 HydrophobicContact CG2-CB 4.18Å; I166-V170 WeakPolarHBondContact CG2-O 3.35Å; R167-V170 PolarHBondContact O-N 2.95Å; V170-F188 HydrophobicContact CG1-CB 3.8Å; V170-F188 HydrophobicContact CG1-CD1 3.92Å; V170-F188 HydrophobicContact CG1-CG 4.02Å
171G79.4Confident79.5Confident27 Ų2765.9 Ų65.928%0.27833%0.33SS..  trans-80.3147.7-178.200000113.2S189G171-S189 PolarHBondContact N-OG 2.78Å; G171-S189 VanDerWaalsContact N-OG 3.13Å; G171-S189 WeakPolarHBondContact O-CB 3.38Å; G171-S189 PolarHBondContact O-N 3.37Å; G171-S189 PolarHBondContact O-OG 2.93Å
172I86.3Confident79.3Confident7 Ų766.1 Ų66.14%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-75.2138.1172.9-55.7175.8000109T145 S147 A150 I166 V175 F188T145-I172 HydrophobicContact CG2-CG2 4.45Å; S147-I172 PolarHBondContact O-N 2.76Å; A150-I172 HydrophobicContact CB-CD1 3.97Å; I166-I172 HydrophobicContact CD1-CD1 3.66Å; I166-I172 HydrophobicContact CD1-CG1 3.83Å; I172-V175 HydrophobicContact CG2-CG2 3.68Å; I172-F188 HydrophobicContact CG1-CE1 4.16Å
173Q88.1Confident79.5Confident62 Ų6262.4 Ų62.429%0.2932%0.321SS..EExtended strand (participates in β ladder)trans-101.3-46.2164.3-67.1-57.4-81.100111.9C187 F221Q173-C187 PolarHBondContact N-O 3.42Å; Q173-F221 HydrophobicContact CB-CE2 4.36Å
174K88.6Confident79.7Confident65 Ų6559.6 Ų59.628%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-157.1148.4177-155.4177.2179.9179.90110.9F176 C187 F221K174-F176 HydrophobicContact CD-CD1 4.09Å; K174-F176 HydrophobicContact CD-CE1 4.46Å; K174-F176 HydrophobicContact CG-CD1 4.05Å; K174-C187 PolarHBondContact N-O 2.63Å; K174-C187 PolarHBondContact O-N 3.26Å; K174-F221 HydrophobicContact CB-CD2 3.79Å; K174-F221 HydrophobicContact CB-CE2 3.91Å; K174-F221 HydrophobicContact CD-CB 4.34Å; K174-F221 HydrophobicContact CD-CD2 3.82Å; K174-F221 HydrophobicContact CG-CD2 4.46Å; K174-F221 PolarHBondContact NZ-O 2.82Å
175V90.9Very high80.3Confident3 Ų358.1 Ų58.12%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-138.4130.8171.2-170.60000107.4I143 T145 A150 I172 I184 L185I143-V175 HydrophobicContact CG2-CB 4.09Å; I143-V175 HydrophobicContact CG2-CG1 3.95Å; T145-V175 HydrophobicContact CG2-CB 3.55Å; T145-V175 HydrophobicContact CG2-CG2 3.76Å; A150-V175 HydrophobicContact CB-CB 4.21Å; A150-V175 HydrophobicContact CB-CG2 3.77Å; I172-V175 HydrophobicContact CG2-CG2 3.68Å; V175-I184 HydrophobicContact CG1-CG2 3.4Å; V175-I184 VanDerWaalsContact CG1-CG2 3.4Å; V175-L185 CarbonylContact C-O 3.53Å; V175-L185 VanDerWaalsContact CA-O 3.25Å; V175-L185 WeakPolarHBondContact CA-O 3.34Å; V175-L185 WeakPolarHBondContact CG1-O 3.43Å
176F92.2Very high81.4Confident18 Ų1853 Ų538%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-152.7156.1-174.257.9-86.2000112.2S134 K174 I184 L185 F221 V223 L230S134-F176 WeakPolarHBondContact OG-CA 3.27Å; S134-F176 WeakPolarHBondContact OG-CB 3.34Å; K174-F176 HydrophobicContact CD-CD1 4.09Å; K174-F176 HydrophobicContact CD-CE1 4.46Å; K174-F176 HydrophobicContact CG-CD1 4.05Å; F176-I184 WeakPolarHBondContact O-CA 3.47Å; F176-L185 HydrophobicContact CE1-CB 4.25Å; F176-L185 HydrophobicContact CE2-CB 4.13Å; F176-L185 HydrophobicContact CE2-CD1 3.88Å; F176-L185 HydrophobicContact CE2-CG 4.47Å; F176-L185 HydrophobicContact CZ-CB 3.93Å; F176-L185 HydrophobicContact CZ-CD1 3.85Å; F176-L185 PolarHBondContact N-O 3.27Å; F176-L185 PolarHBondContact O-N 2.7Å; F176-F221 HydrophobicContact CE1-CB 3.83Å; F176-F221 HydrophobicContact CE1-CG 4.26Å; F176-F221 HydrophobicContact CZ-CB 4.08Å; F176-V223 HydrophobicContact CE2-CG2 3.67Å; F176-V223 HydrophobicContact CZ-CG2 4.16Å; F176-L230 HydrophobicContact CZ-CD1 3.99Å
177F91.6Very high82.6Confident11 Ų1150.8 Ų50.85%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-73.5140.7172.7-71.8-75.3000111.4S134 H136 Y141 I143 L152 I184S134-F177 PolarHBondContact OG-N 3.04Å; H136-F177 HydrophobicContact CB-CD1 4.02Å; H136-F177 HydrophobicContact CB-CD2 3.8Å; H136-F177 HydrophobicContact CB-CE1 4Å; H136-F177 HydrophobicContact CB-CE2 3.77Å; H136-F177 HydrophobicContact CB-CG 3.9Å; H136-F177 HydrophobicContact CB-CZ 3.87Å; H136-F177 AromaticContact CD2-CD1 3.51Å; H136-F177 AromaticContact CD2-CE1 3.93Å; H136-F177 AromaticContact CD2-CG 3.93Å; H136-F177 VanDerWaalsContact N-CD2 3.27Å; Y141-F177 WeakPolarHBondContact O-CE2 3.25Å; I143-F177 HydrophobicContact CB-CE2 4.11Å; I143-F177 HydrophobicContact CD1-CD1 4.08Å; I143-F177 HydrophobicContact CD1-CD2 3.98Å; I143-F177 HydrophobicContact CD1-CE1 3.68Å; I143-F177 HydrophobicContact CD1-CE2 3.58Å; I143-F177 HydrophobicContact CD1-CG 4.23Å; I143-F177 HydrophobicContact CD1-CZ 3.42Å; I143-F177 VanDerWaalsContact CD1-CZ 3.42Å; I143-F177 HydrophobicContact CG1-CD2 4.29Å; I143-F177 HydrophobicContact CG1-CE1 4.37Å; I143-F177 HydrophobicContact CG1-CE2 3.56Å; I143-F177 HydrophobicContact CG1-CZ 3.61Å; L152-F177 HydrophobicContact CD1-CE1 4.43Å; L152-F177 HydrophobicContact CD1-CZ 3.69Å; F177-I184 HydrophobicContact CD1-CG1 3.9Å; F177-I184 HydrophobicContact CE1-CD1 4.28Å; F177-I184 HydrophobicContact CE1-CG1 3.88Å
178L89.3Confident83.9Confident12 Ų1241.3 Ų41.36%0.06323%0.227CC..PPolyproline II helixtrans-76.4128.9169.8-16474.5000109.4L180 S181 T183 L185 V223 L244L178-L180 PolarHBondContact O-N 3.34Å; L178-S181 PolarHBondContact O-N 3.06Å; L178-S181 VanDerWaalsContact O-O 3.14Å; L178-T183 WeakPolarHBondContact CB-O 3.47Å; L178-T183 PolarHBondContact N-O 3.35Å; L178-L185 HydrophobicContact CD1-CD1 3.85Å; L178-L185 HydrophobicContact CD1-CG 4.34Å; L178-V223 HydrophobicContact CD1-CB 4.5Å; L178-V223 HydrophobicContact CD1-CG1 3.7Å; L178-V223 HydrophobicContact CD1-CG2 4.16Å; L178-L244 HydrophobicContact CD1-CD1 3.33Å; L178-L244 HydrophobicContact CD2-CD1 4.21Å; L178-L244 HydrophobicContact CG-CD1 4.4Å
179P83.2Confident85.2Confident42 Ų4233.5 Ų33.527%0.27320%0.196SC..THydrogen-bonded Turntrans-51.1138.9177.2-29.136.8000112.5S181 V223 R225P179-S181 PolarHBondContact O-N 2.91Å; P179-S181 VanDerWaalsContact O-N 3.11Å; P179-V223 HydrophobicContact CG-CG1 4.19Å; P179-R225 WeakPolarHBondContact CB-O 3.47Å
180L76.3Confident86.4Confident132 Ų13231.1 Ų31.169%0.69118%0.175SC*.THydrogen-bonded Turntrans60.115.3175.6-52.9176.5000116L178 R225L178-L180 PolarHBondContact O-N 3.34Å; L180-R225 WeakPolarHBondContact CD1-O 3.44Å
181S83Confident87.4Confident31 Ų3129.2 Ų29.222%0.21716%0.163CC..SBendtrans-145.7154.8175.684.60000114.2H136 L178 P179 T183H136-S181 PolarHBondContact NE2-O 2.94Å; L178-S181 PolarHBondContact O-N 3.06Å; L178-S181 VanDerWaalsContact O-O 3.14Å; P179-S181 PolarHBondContact O-N 2.91Å; P179-S181 VanDerWaalsContact O-N 3.11Å; S181-T183 PolarHBondContact O-N 2.9Å; S181-T183 WeakPolarHBondContact OG-CB 3.37Å; S181-T183 PolarHBondContact OG-N 3.47Å; S181-T183 PolarHBondContact OG-OG1 3.22Å
182N85.7Confident87.8Confident76 Ų7628.6 Ų28.641%0.40616%0.155SC..SBendtrans-72.227.7171.8-71.432.8000113.2S198 D199N182-S198 WeakPolarHBondContact CB-OG 3.17Å; N182-S198 WeakPolarHBondContact O-CB 3.45Å; N182-S198 PolarHBondContact O-N 2.89Å; N182-S198 PolarHBondContact O-OG 3.29Å; N182-D199 PolarHBondContact ND2-OD2 3.23Å
183T89.8Confident88Confident5 Ų528.4 Ų28.43%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-101.3139.8177.8-45.30000110.5L178 S181 A195 W196 R204L178-T183 WeakPolarHBondContact CB-O 3.47Å; L178-T183 PolarHBondContact N-O 3.35Å; S181-T183 PolarHBondContact O-N 2.9Å; S181-T183 WeakPolarHBondContact OG-CB 3.37Å; S181-T183 PolarHBondContact OG-N 3.47Å; S181-T183 PolarHBondContact OG-OG1 3.22Å; T183-A195 HydrophobicContact CG2-CB 4.04Å; T183-W196 CarbonylContact C-O 3.56Å; T183-W196 WeakPolarHBondContact CA-O 3.36Å; T183-W196 WeakPolarHBondContact CG2-O 3.42Å; T183-R204 PolarHBondContact OG1-NH1 3.48Å
184I91.8Very high88.1Confident5 Ų527.7 Ų27.73%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-112.2132.3175.3-58.3166.5000107.7I143 V175 F176 F177 A195 W196 L201I143-I184 HydrophobicContact CD1-CB 4.23Å; I143-I184 HydrophobicContact CD1-CD1 3.47Å; I143-I184 VanDerWaalsContact CD1-CD1 3.47Å; I143-I184 HydrophobicContact CD1-CG1 3.55Å; I143-I184 HydrophobicContact CD1-CG2 3.64Å; V175-I184 HydrophobicContact CG1-CG2 3.4Å; V175-I184 VanDerWaalsContact CG1-CG2 3.4Å; F176-I184 WeakPolarHBondContact O-CA 3.47Å; F177-I184 HydrophobicContact CD1-CG1 3.9Å; F177-I184 HydrophobicContact CE1-CD1 4.28Å; F177-I184 HydrophobicContact CE1-CG1 3.88Å; I184-A195 CarbonylContact O-C 3.6Å; I184-A195 WeakPolarHBondContact O-CA 3.49Å; I184-W196 HydrophobicContact CB-CB 4.38Å; I184-W196 PolarHBondContact N-O 2.95Å; I184-W196 PolarHBondContact O-N 3.34Å; I184-L201 HydrophobicContact CD1-CD2 3.63Å
185L91.9Very high88.3Confident0 Ų024.6 Ų24.60%014%0.136CC..EExtended strand (participates in β ladder)trans-99.9129.7167.5-66.9178.9000109.6V175 F176 L178 F194 A195 V223 L230 L244V175-L185 CarbonylContact C-O 3.53Å; V175-L185 VanDerWaalsContact CA-O 3.25Å; V175-L185 WeakPolarHBondContact CA-O 3.34Å; V175-L185 WeakPolarHBondContact CG1-O 3.43Å; F176-L185 HydrophobicContact CE1-CB 4.25Å; F176-L185 HydrophobicContact CE2-CB 4.13Å; F176-L185 HydrophobicContact CE2-CD1 3.88Å; F176-L185 HydrophobicContact CE2-CG 4.47Å; F176-L185 HydrophobicContact CZ-CB 3.93Å; F176-L185 HydrophobicContact CZ-CD1 3.85Å; F176-L185 PolarHBondContact N-O 3.27Å; F176-L185 PolarHBondContact O-N 2.7Å; L178-L185 HydrophobicContact CD1-CD1 3.85Å; L178-L185 HydrophobicContact CD1-CG 4.34Å; L185-F194 WeakPolarHBondContact CA-O 3.37Å; L185-A195 HydrophobicContact CD2-CB 3.77Å; L185-V223 HydrophobicContact CD1-CG2 4.29Å; L185-L230 HydrophobicContact CD1-CD1 4.13Å; L185-L230 HydrophobicContact CD1-CD2 4.17Å; L185-L244 HydrophobicContact CD1-CD1 4.19Å
186S90.1Very high88.2Confident0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-113.7129.3169.170.50000110.6F188 I193 F194 W196S186-F188 VanDerWaalsContact OG-CE2 3.29Å; S186-F188 WeakPolarHBondContact OG-CE2 3.41Å; S186-I193 WeakPolarHBondContact O-CA 3.35Å; S186-F194 PolarHBondContact N-O 2.68Å; S186-F194 PolarHBondContact O-N 2.95Å; S186-W196 PolarHBondContact OG-NE1 3.41Å
187C89.1Confident88Confident0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans-118.9128.5-178-48.60000110.3Q173 K174 I193 F221Q173-C187 PolarHBondContact N-O 3.42Å; K174-C187 PolarHBondContact N-O 2.63Å; K174-C187 PolarHBondContact O-N 3.26Å; C187-I193 HydrophobicContact CB-CG1 4.26Å; C187-F221 HydrophobicContact CB-CD1 4.18Å; C187-F221 HydrophobicContact CB-CD2 4.49Å; C187-F221 HydrophobicContact CB-CE1 3.42Å; C187-F221 VanDerWaalsContact CB-CE1 3.42Å; C187-F221 HydrophobicContact CB-CE2 3.8Å; C187-F221 HydrophobicContact CB-CZ 3.18Å; C187-F221 VanDerWaalsContact SG-CD1 3.58Å; C187-F221 WeakPolarHBondContact SG-CE1 3.49Å
188F88.8Confident87.6Confident14 Ų1429 Ų296%0.06116%0.155CC..EExtended strand (participates in β ladder)trans-109.3165.3-169.9-68.7-68.7000113.2I166 V170 I172 S186 D190 D191 S192 F194I166-F188 HydrophobicContact CB-CE1 4.32Å; I166-F188 HydrophobicContact CD1-CE1 3.76Å; I166-F188 HydrophobicContact CD1-CZ 4.12Å; I166-F188 HydrophobicContact CG1-CE1 3.64Å; I166-F188 HydrophobicContact CG1-CZ 3.88Å; I166-F188 HydrophobicContact CG2-CE1 4.01Å; V170-F188 HydrophobicContact CG1-CB 3.8Å; V170-F188 HydrophobicContact CG1-CD1 3.92Å; V170-F188 HydrophobicContact CG1-CG 4.02Å; I172-F188 HydrophobicContact CG1-CE1 4.16Å; S186-F188 VanDerWaalsContact OG-CE2 3.29Å; S186-F188 WeakPolarHBondContact OG-CE2 3.41Å; F188-D190 WeakPolarHBondContact CB-OD1 3.18Å; F188-D190 PolarHBondContact O-N 3.15Å; F188-D191 PolarHBondContact O-N 2.84Å; F188-S192 PolarHBondContact N-O 2.9Å; F188-F194 AromaticContact CD2-CD2 3.83Å; F188-F194 HydrophobicContact CD2-CD2 3.83Å; F188-F194 HydrophobicContact CD2-CE2 4.18Å; F188-F194 AromaticContact CE2-CD2 3.66Å; F188-F194 HydrophobicContact CE2-CD2 3.66Å; F188-F194 HydrophobicContact CE2-CE2 4.22Å
189S86.9Confident87.3Confident45 Ų4531.4 Ų31.432%0.31517%0.168SC..THydrogen-bonded Turntrans-70.6-10.9-178.659.60000114.9G171G171-S189 PolarHBondContact N-OG 2.78Å; G171-S189 VanDerWaalsContact N-OG 3.13Å; G171-S189 WeakPolarHBondContact O-CB 3.38Å; G171-S189 PolarHBondContact O-N 3.37Å; G171-S189 PolarHBondContact O-OG 2.93Å
190D84.4Confident87.1Confident55 Ų5532.6 Ų32.629%0.29418%0.175SC..THydrogen-bonded Turntrans-93.811.7177.672.2-33.5000112.9F188 S192 R215F188-D190 WeakPolarHBondContact CB-OD1 3.18Å; F188-D190 PolarHBondContact O-N 3.15Å; D190-S192 VanDerWaalsContact CG-OG 3.3Å; D190-S192 PolarHBondContact O-N 3.12Å; D190-S192 VanDerWaalsContact OD1-CB 3.25Å; D190-S192 WeakPolarHBondContact OD1-CB 3.46Å; D190-S192 PolarHBondContact OD1-N 3.35Å; D190-S192 PolarHBondContact OD1-OG 3.37Å; D190-S192 VanDerWaalsContact OD2-CB 3.31Å; D190-S192 WeakPolarHBondContact OD2-CB 3.36Å; D190-S192 PolarHBondContact OD2-OG 2.64Å; D190-R215 PolarHBondContact O-NH1 2.87Å
191D87.4Confident87.3Confident4 Ų428 Ų282%0.02115%0.15CC..SBendtrans67.16.1-170.5-70.4-28.5000115.7F188 V209 I216 F217 Y218F188-D191 PolarHBondContact O-N 2.84Å; D191-V209 HydrophobicContact CB-CG1 4.32Å; D191-V209 WeakPolarHBondContact O-CG2 3.4Å; D191-I216 PolarHBondContact OD2-N 2.84Å; D191-F217 VanDerWaalsContact CG-N 3.34Å; D191-F217 WeakPolarHBondContact OD1-CA 3.33Å; D191-F217 PolarHBondContact OD1-N 2.93Å; D191-F217 PolarHBondContact OD2-N 3.39Å; D191-Y218 HydrophobicContact CB-CD2 3.83Å; D191-Y218 HydrophobicContact CB-CE2 3.58Å; D191-Y218 WeakPolarHBondContact O-CE2 3.41Å; D191-Y218 WeakPolarHBondContact OD1-CD2 3.47Å; D191-Y218 PolarHBondContact OD1-N 3.16Å
192S88.3Confident87.2Confident14 Ų1433.5 Ų33.510%0.09817%0.171CC..  trans-75.3138.7174.6-64.60000112.6F188 D190F188-S192 PolarHBondContact N-O 2.9Å; D190-S192 VanDerWaalsContact CG-OG 3.3Å; D190-S192 PolarHBondContact O-N 3.12Å; D190-S192 VanDerWaalsContact OD1-CB 3.25Å; D190-S192 WeakPolarHBondContact OD1-CB 3.46Å; D190-S192 PolarHBondContact OD1-N 3.35Å; D190-S192 PolarHBondContact OD1-OG 3.37Å; D190-S192 VanDerWaalsContact OD2-CB 3.31Å; D190-S192 WeakPolarHBondContact OD2-CB 3.36Å; D190-S192 PolarHBondContact OD2-OG 2.64Å
193I91.6Very high87.2Confident2 Ų231.9 Ų31.91%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-128123.9176.2-53.5178.5000109.6S186 C187 L207 Y218 F221 L230 W242S186-I193 WeakPolarHBondContact O-CA 3.35Å; C187-I193 HydrophobicContact CB-CG1 4.26Å; I193-L207 HydrophobicContact CB-CB 4.38Å; I193-L207 HydrophobicContact CB-CD1 4.33Å; I193-L207 HydrophobicContact CG2-CD1 3.94Å; I193-L207 PolarHBondContact O-N 2.87Å; I193-Y218 HydrophobicContact CD1-CD2 4.27Å; I193-Y218 HydrophobicContact CD1-CE2 4.32Å; I193-F221 HydrophobicContact CD1-CE1 4.02Å; I193-L230 HydrophobicContact CD1-CD2 4.02Å; I193-L230 HydrophobicContact CG2-CD2 4.25Å; I193-W242 HydrophobicContact CD1-CH2 4.01Å; I193-W242 HydrophobicContact CD1-CZ2 4.43Å; I193-W242 HydrophobicContact CD1-CZ3 4.31Å
194F90.4Very high87.1Confident48 Ų4838.3 Ų38.321%0.21119%0.189CC..EExtended strand (participates in β ladder)trans-120.2142.5-178.5-68.8-95.2000111.4L185 S186 F188 W196 Q206L185-F194 WeakPolarHBondContact CA-O 3.37Å; S186-F194 PolarHBondContact N-O 2.68Å; S186-F194 PolarHBondContact O-N 2.95Å; F188-F194 AromaticContact CD2-CD2 3.83Å; F188-F194 HydrophobicContact CD2-CD2 3.83Å; F188-F194 HydrophobicContact CD2-CE2 4.18Å; F188-F194 AromaticContact CE2-CD2 3.66Å; F188-F194 HydrophobicContact CE2-CD2 3.66Å; F188-F194 HydrophobicContact CE2-CE2 4.22Å; F194-W196 HydrophobicContact CB-CZ2 3.91Å; F194-W196 HydrophobicContact CG-CZ2 4.32Å; F194-Q206 HydrophobicContact CD1-CB 3.72Å; F194-Q206 HydrophobicContact CD1-CG 3.81Å; F194-Q206 HydrophobicContact CD2-CG 4.48Å; F194-Q206 HydrophobicContact CE1-CB 3.69Å; F194-Q206 VanDerWaalsContact CE1-CD 3.41Å; F194-Q206 HydrophobicContact CE1-CG 3.57Å; F194-Q206 VanDerWaalsContact CE1-OE1 3.28Å; F194-Q206 HydrophobicContact CE2-CG 4.29Å; F194-Q206 HydrophobicContact CG-CB 4.5Å; F194-Q206 HydrophobicContact CG-CG 4.28Å; F194-Q206 HydrophobicContact CZ-CB 4.46Å; F194-Q206 HydrophobicContact CZ-CG 3.84Å
195A91.4Very high86.9Confident0 Ų039.3 Ų39.30%019%0.192CC..EExtended strand (participates in β ladder)trans-104.5130.3174.100000110.9T183 I184 L185 C203 R204 Y205T183-A195 HydrophobicContact CG2-CB 4.04Å; I184-A195 CarbonylContact O-C 3.6Å; I184-A195 WeakPolarHBondContact O-CA 3.49Å; L185-A195 HydrophobicContact CD2-CB 3.77Å; A195-C203 CarbonylContact O-C 3.54Å; A195-R204 PolarHBondContact O-N 3.44Å; A195-Y205 HydrophobicContact CB-CD1 4.02Å; A195-Y205 HydrophobicContact CB-CD2 3.66Å; A195-Y205 HydrophobicContact CB-CE1 3.77Å; A195-Y205 HydrophobicContact CB-CE2 3.36Å; A195-Y205 HydrophobicContact CB-CG 3.97Å; A195-Y205 VanDerWaalsContact CB-CZ 3.43Å; A195-Y205 PolarHBondContact N-O 3.01Å
196W89.3Confident86.9Confident47 Ų4744 Ų4418%0.17821%0.214CC..EExtended strand (participates in β ladder)trans-124.3147-177.4-45.880.3000110.3T183 I184 S186 F194 L201 F202 C203T183-W196 CarbonylContact C-O 3.56Å; T183-W196 WeakPolarHBondContact CA-O 3.36Å; T183-W196 WeakPolarHBondContact CG2-O 3.42Å; I184-W196 HydrophobicContact CB-CB 4.38Å; I184-W196 PolarHBondContact N-O 2.95Å; I184-W196 PolarHBondContact O-N 3.34Å; S186-W196 PolarHBondContact OG-NE1 3.41Å; F194-W196 HydrophobicContact CB-CZ2 3.91Å; F194-W196 HydrophobicContact CG-CZ2 4.32Å; W196-L201 HydrophobicContact CB-CD2 4.36Å; W196-F202 VanDerWaalsContact CA-O 3.28Å; W196-F202 WeakPolarHBondContact CA-O 3.18Å; W196-C203 HydrophobicContact CD2-CB 4.41Å; W196-C203 HydrophobicContact CE3-CB 3.78Å; W196-C203 HydrophobicContact CH2-CB 4.24Å; W196-C203 HydrophobicContact CZ3-CB 3.69Å
197E88.4Confident86.8Confident76 Ų7644 Ų4436%0.35521%0.214SC..EExtended strand (participates in β ladder)trans-79.1132.9168.3177.3175.5-104.900110.4D199 T200 L201 F202 R204E197-D199 PolarHBondContact O-N 2.89Å; E197-T200 WeakPolarHBondContact CB-OG1 3.41Å; E197-T200 WeakPolarHBondContact OE2-CB 3.31Å; E197-T200 WeakPolarHBondContact OE2-CG2 3.4Å; E197-T200 PolarHBondContact OE2-OG1 3.42Å; E197-L201 WeakPolarHBondContact O-CA 3.33Å; E197-L201 PolarHBondContact O-N 3.22Å; E197-F202 PolarHBondContact N-O 2.98Å; E197-R204 HydrophobicContact CB-CG 4.2Å
198S83.4Confident86.5Confident1 Ų147 Ų471%0.00723%0.234CC..THydrogen-bonded Turntrans-68.5-34.7-17366.60000114R162 N182R162-S198 PolarHBondContact NH1-O 3.48Å; N182-S198 WeakPolarHBondContact CB-OG 3.17Å; N182-S198 WeakPolarHBondContact O-CB 3.45Å; N182-S198 PolarHBondContact O-N 2.89Å; N182-S198 PolarHBondContact O-OG 3.29Å
199D81.6Confident85.9Confident62 Ų6248.6 Ų48.633%0.33224%0.244SC..THydrogen-bonded Turntrans-83.5-17.4-175.7-76.2-58.3000113.9K161 R162 N182 E197K161-D199 IonicContact NZ-OD1 2.59Å; K161-D199 PolarHBondContact NZ-OD1 3.4Å; R162-D199 VanDerWaalsContact CZ-O 3.26Å; R162-D199 PolarHBondContact NH1-O 3.33Å; R162-D199 PolarHBondContact NH2-O 2.98Å; N182-D199 PolarHBondContact ND2-OD2 3.23Å; E197-D199 PolarHBondContact O-N 2.89Å
200T79.1Confident85.2Confident68 Ų6848.4 Ų48.442%0.41724%0.242SC..THydrogen-bonded Turntrans-112.4-29.6173.356.30000114.4E197 F202E197-T200 WeakPolarHBondContact CB-OG1 3.41Å; E197-T200 WeakPolarHBondContact OE2-CB 3.31Å; E197-T200 WeakPolarHBondContact OE2-CG2 3.4Å; E197-T200 PolarHBondContact OE2-OG1 3.42Å; T200-F202 WeakPolarHBondContact OG1-CB 3.49Å; T200-F202 PolarHBondContact OG1-N 3.38Å
201L80.2Confident84.2Confident34 Ų3453.5 Ų53.518%0.17827%0.269CS..  trans54.531.4-156.2-64-174.9000113.6R162 I184 W196 E197R162-L201 HydrophobicContact CB-CD1 3.81Å; R162-L201 VanDerWaalsContact CD-CD1 3.49Å; R162-L201 HydrophobicContact CG-CD1 4.27Å; I184-L201 HydrophobicContact CD1-CD2 3.63Å; W196-L201 HydrophobicContact CB-CD2 4.36Å; E197-L201 WeakPolarHBondContact O-CA 3.33Å; E197-L201 PolarHBondContact O-N 3.22Å
202F81.6Confident82.6Confident147 Ų14759.5 Ų59.565%0.64531%0.312SS*.  trans-74.9137.1165.1-173.4-100000110.5W196 E197 T200 R204W196-F202 VanDerWaalsContact CA-O 3.28Å; W196-F202 WeakPolarHBondContact CA-O 3.18Å; E197-F202 PolarHBondContact N-O 2.98Å; T200-F202 WeakPolarHBondContact OG1-CB 3.49Å; T200-F202 PolarHBondContact OG1-N 3.38Å; F202-R204 PolarHBondContact O-N 3.41Å
203C85.8Confident81.3Confident42 Ų4261 Ų6128%0.28433%0.33SS..EExtended strand (participates in β ladder)trans-74.8113.4175.4-177.30000109.9A195 W196A195-C203 CarbonylContact O-C 3.54Å; W196-C203 HydrophobicContact CD2-CB 4.41Å; W196-C203 HydrophobicContact CE3-CB 3.78Å; W196-C203 HydrophobicContact CH2-CB 4.24Å; W196-C203 HydrophobicContact CZ3-CB 3.69Å
204R87.3Confident80.2Confident141 Ų14165.5 Ų65.553%0.53236%0.359SS..EExtended strand (participates in β ladder)trans-79.1-42.8-179.5-60.5-172.769.8-163.4-0.1112.1T183 A195 E197 F202T183-R204 PolarHBondContact OG1-NH1 3.48Å; A195-R204 PolarHBondContact O-N 3.44Å; E197-R204 HydrophobicContact CB-CG 4.2Å; F202-R204 PolarHBondContact O-N 3.41Å
205Y88.9Confident79.6Confident26 Ų2670.3 Ų70.310%0.10238%0.375CS..EExtended strand (participates in β ladder)trans-164.4160.9177.856.1-99.1000111.3A195 L207 Q247A195-Y205 HydrophobicContact CB-CD1 4.02Å; A195-Y205 HydrophobicContact CB-CD2 3.66Å; A195-Y205 HydrophobicContact CB-CE1 3.77Å; A195-Y205 HydrophobicContact CB-CE2 3.36Å; A195-Y205 HydrophobicContact CB-CG 3.97Å; A195-Y205 VanDerWaalsContact CB-CZ 3.43Å; A195-Y205 PolarHBondContact N-O 3.01Å; Y205-L207 HydrophobicContact CD2-CD2 4.07Å; Y205-L207 HydrophobicContact CD2-CG 4.37Å; Y205-L207 HydrophobicContact CE2-CD2 3.73Å; Y205-L207 HydrophobicContact CE2-CG 4.1Å; Y205-Q247 HydrophobicContact CD1-CG 4.1Å; Y205-Q247 HydrophobicContact CD2-CG 4.03Å; Y205-Q247 HydrophobicContact CE1-CG 4.21Å; Y205-Q247 HydrophobicContact CE2-CG 4.15Å; Y205-Q247 HydrophobicContact CG-CG 4.02Å
206Q90.1Very high79.2Confident97 Ų9770.4 Ų70.445%0.45338%0.376SS..EExtended strand (participates in β ladder)trans-106.8137.7165.7-174.9178.9-7.600108.1F194F194-Q206 HydrophobicContact CD1-CB 3.72Å; F194-Q206 HydrophobicContact CD1-CG 3.81Å; F194-Q206 HydrophobicContact CD2-CG 4.48Å; F194-Q206 HydrophobicContact CE1-CB 3.69Å; F194-Q206 VanDerWaalsContact CE1-CD 3.41Å; F194-Q206 HydrophobicContact CE1-CG 3.57Å; F194-Q206 VanDerWaalsContact CE1-OE1 3.28Å; F194-Q206 HydrophobicContact CE2-CG 4.29Å; F194-Q206 HydrophobicContact CG-CB 4.5Å; F194-Q206 HydrophobicContact CG-CG 4.28Å; F194-Q206 HydrophobicContact CZ-CB 4.46Å; F194-Q206 HydrophobicContact CZ-CG 3.84Å
207L89.1Confident79.1Confident2 Ų272.6 Ų72.61%0.0139%0.387CS..EExtended strand (participates in β ladder)trans-79.5140.7172.4-68.3176000110.1I193 Y205 V209 L230 W242 L244 Q247I193-L207 HydrophobicContact CB-CB 4.38Å; I193-L207 HydrophobicContact CB-CD1 4.33Å; I193-L207 HydrophobicContact CG2-CD1 3.94Å; I193-L207 PolarHBondContact O-N 2.87Å; Y205-L207 HydrophobicContact CD2-CD2 4.07Å; Y205-L207 HydrophobicContact CD2-CG 4.37Å; Y205-L207 HydrophobicContact CE2-CD2 3.73Å; Y205-L207 HydrophobicContact CE2-CG 4.1Å; L207-V209 PolarHBondContact O-N 3.19Å; L207-L230 HydrophobicContact CD1-CD2 3.49Å; L207-L230 VanDerWaalsContact CD1-CD2 3.49Å; L207-W242 HydrophobicContact CD1-CB 4.35Å; L207-W242 HydrophobicContact CD1-CD2 4.41Å; L207-W242 HydrophobicContact CD1-CG 4.17Å; L207-W242 HydrophobicContact CD2-CB 4.48Å; L207-L244 HydrophobicContact CD1-CD2 3.67Å; L207-L244 HydrophobicContact CD2-CD2 4Å; L207-L244 HydrophobicContact CG-CD2 4.39Å; L207-Q247 HydrophobicContact CD2-CB 4.43Å
208P83.1Confident79.2Confident63 Ų6369.1 Ų69.141%0.40937%0.371SS..PPolyproline II helixtrans-65.1124.6179.426.2-33.6000110.4W242 Q247P208-W242 PolarHBondContact O-NE1 2.88Å; P208-Q247 WeakPolarHBondContact CD-O 3.34Å
209V75.8Confident79.4Confident46 Ų4673.8 Ų73.828%0.27939%0.391SS..PPolyproline II helixtrans-80.2123.8166.1-174.50000106.7D191 L207 D211D191-V209 HydrophobicContact CB-CG1 4.32Å; D191-V209 WeakPolarHBondContact O-CG2 3.4Å; L207-V209 PolarHBondContact O-N 3.19Å; V209-D211 PolarHBondContact O-N 3.06Å
210P73Confident79.9Confident41 Ų4171 Ų7127%0.26638%0.376SS..  trans-75.8111.8-177.127.8-33.2000111.7S212 H240 L249P210-S212 VanDerWaalsContact C-N 3.26Å; P210-S212 PolarHBondContact O-N 3.29Å; P210-H240 WeakPolarHBondContact CG-CE1 3.28Å; P210-L249 HydrophobicContact CB-CD2 3.76Å; P210-L249 HydrophobicContact CG-CD2 3.82Å
211D62Low80.6Confident163 Ų16368 Ų6887%0.87236%0.357SS*.THydrogen-bonded Turntrans-65.9-22.6-174.8-54.3-71.2000114.6V209 G213V209-D211 PolarHBondContact O-N 3.06Å; D211-G213 VanDerWaalsContact C-N 3.32Å; D211-G213 PolarHBondContact O-N 3.38Å
212S53.6Low81.1Confident130 Ų13066.9 Ų66.991%0.90935%0.353SS*.THydrogen-bonded Turntrans-89.428.6-168-171.20000114.6P210P210-S212 VanDerWaalsContact C-N 3.26Å; P210-S212 PolarHBondContact O-N 3.29Å
213G62Low81.5Confident46 Ų4661 Ų6147%0.47433%0.328SS..SBendtrans-155.7168.7-177.200000114.7D211D211-G213 VanDerWaalsContact C-N 3.32Å; D211-G213 PolarHBondContact O-N 3.38Å
214P69.3Low81.7Confident95 Ų9559 Ų5962%0.61732%0.316SS*.  trans-66.2133.7176.528.1-34000110.9I216P214-I216 PolarHBondContact O-N 3.08Å
215R76.7Confident81.4Confident150 Ų15058.2 Ų58.257%0.56631%0.313SS*.  trans-52133.5174.7-76.6177.9169.7-86.30.8110.8D190 F217D190-R215 PolarHBondContact O-NH1 2.87Å; R215-F217 HydrophobicContact CB-CD2 4.42Å; R215-F217 HydrophobicContact CB-CE2 3.98Å; R215-F217 HydrophobicContact CB-CZ 4.23Å
216I82.6Confident81Confident2 Ų260.6 Ų60.61%0.0133%0.327CS..  trans-93.9-26-171.5-67.6-174.8000111.1D191 P214 Y218 G234 R235 L238 H240D191-I216 PolarHBondContact OD2-N 2.84Å; P214-I216 PolarHBondContact O-N 3.08Å; I216-Y218 HydrophobicContact CB-CD1 3.98Å; I216-Y218 HydrophobicContact CB-CE1 3.76Å; I216-Y218 HydrophobicContact CD1-CE1 3.99Å; I216-Y218 HydrophobicContact CG1-CE1 4.39Å; I216-Y218 HydrophobicContact CG2-CD1 3.53Å; I216-Y218 HydrophobicContact CG2-CE1 3.71Å; I216-Y218 HydrophobicContact CG2-CG 4.48Å; I216-G234 CarbonylContact O-C 3.39Å; I216-R235 WeakPolarHBondContact O-CA 3.46Å; I216-R235 PolarHBondContact O-N 3.25Å; I216-L238 HydrophobicContact CD1-CB 3.78Å; I216-H240 WeakPolarHBondContact CD1-CE1 3.36Å
217F87.8Confident80.8Confident92 Ų9256.4 Ų56.440%0.40431%0.309SS..  trans5266.8-171-56.9-81.9000110.6D191 R215 K219 G234 R235D191-F217 VanDerWaalsContact CG-N 3.34Å; D191-F217 WeakPolarHBondContact OD1-CA 3.33Å; D191-F217 PolarHBondContact OD1-N 2.93Å; D191-F217 PolarHBondContact OD2-N 3.39Å; R215-F217 HydrophobicContact CB-CD2 4.42Å; R215-F217 HydrophobicContact CB-CE2 3.98Å; R215-F217 HydrophobicContact CB-CZ 4.23Å; F217-K219 PolarHBondContact O-N 3.46Å; F217-G234 WeakPolarHBondContact O-CA 3.43Å; F217-R235 HydrophobicContact CB-CB 4.45Å; F217-R235 HydrophobicContact CB-CG 4.5Å
218Y89.9Confident80.7Confident4 Ų460.2 Ų60.22%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-55.6135-175.2-53.7-61.5000111.9D191 I193 I216 F221 A232 G233 H240 W242D191-Y218 HydrophobicContact CB-CD2 3.83Å; D191-Y218 HydrophobicContact CB-CE2 3.58Å; D191-Y218 WeakPolarHBondContact O-CE2 3.41Å; D191-Y218 WeakPolarHBondContact OD1-CD2 3.47Å; D191-Y218 PolarHBondContact OD1-N 3.16Å; I193-Y218 HydrophobicContact CD1-CD2 4.27Å; I193-Y218 HydrophobicContact CD1-CE2 4.32Å; I216-Y218 HydrophobicContact CB-CD1 3.98Å; I216-Y218 HydrophobicContact CB-CE1 3.76Å; I216-Y218 HydrophobicContact CD1-CE1 3.99Å; I216-Y218 HydrophobicContact CG1-CE1 4.39Å; I216-Y218 HydrophobicContact CG2-CD1 3.53Å; I216-Y218 HydrophobicContact CG2-CE1 3.71Å; I216-Y218 HydrophobicContact CG2-CG 4.48Å; Y218-F221 VanDerWaalsContact CB-CE1 3.5Å; Y218-F221 HydrophobicContact CD2-CE1 4.42Å; Y218-F221 HydrophobicContact CG-CE1 4.13Å; Y218-F221 HydrophobicContact CG-CZ 4.36Å; Y218-A232 HydrophobicContact CD1-CB 3.6Å; Y218-A232 HydrophobicContact CE1-CB 3.99Å; Y218-A232 HydrophobicContact CG-CB 3.98Å; Y218-G233 WeakPolarHBondContact CA-O 3.44Å; Y218-H240 HydrophobicContact CE1-CB 4.38Å; Y218-H240 AromaticContact CE1-ND1 3.95Å; Y218-H240 AromaticContact CZ-ND1 3.82Å; Y218-H240 PolarHBondContact OH-ND1 3.49Å; Y218-W242 HydrophobicContact CE1-CH2 4.05Å; Y218-W242 HydrophobicContact CE2-CH2 4.09Å; Y218-W242 AromaticContact CZ-CH2 3.63Å; Y218-W242 WeakPolarHBondContact OH-CH2 3.4Å
219K89.3Confident81Confident99 Ų9958.5 Ų58.543%0.4332%0.316SS..EExtended strand (participates in β ladder)trans-133.6-35.4176-68.3-174172-82.70112.1F217 F221 G233F217-K219 PolarHBondContact O-N 3.46Å; K219-F221 WeakPolarHBondContact O-CD2 3.47Å; K219-G233 PolarHBondContact N-O 3.29Å
220A90.8Very high81.8Confident3 Ų356.3 Ų56.33%0.02530%0.302CS..EExtended strand (participates in β ladder)trans-96.4131.1176.900000109.8A232 G233 V262 L265A220-A232 WeakPolarHBondContact O-CA 3.39Å; A220-G233 PolarHBondContact N-O 3.4Å; A220-G233 PolarHBondContact O-N 2.96Å; A220-V262 HydrophobicContact CB-CB 4.49Å; A220-V262 HydrophobicContact CB-CG1 3.8Å; A220-L265 HydrophobicContact CB-CB 4.18Å; A220-L265 HydrophobicContact CB-CD1 4.21Å; A220-L265 HydrophobicContact CB-CG 3.76Å
221F93.1Very high82.8Confident6 Ų654.5 Ų54.53%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-141.7131.3-179.9-54.1-90.3000109.5Q173 K174 F176 C187 I193 Y218 K219 A231 A232Q173-F221 HydrophobicContact CB-CE2 4.36Å; K174-F221 HydrophobicContact CB-CD2 3.79Å; K174-F221 HydrophobicContact CB-CE2 3.91Å; K174-F221 HydrophobicContact CD-CB 4.34Å; K174-F221 HydrophobicContact CD-CD2 3.82Å; K174-F221 HydrophobicContact CG-CD2 4.46Å; K174-F221 PolarHBondContact NZ-O 2.82Å; F176-F221 HydrophobicContact CE1-CB 3.83Å; F176-F221 HydrophobicContact CE1-CG 4.26Å; F176-F221 HydrophobicContact CZ-CB 4.08Å; C187-F221 HydrophobicContact CB-CD1 4.18Å; C187-F221 HydrophobicContact CB-CD2 4.49Å; C187-F221 HydrophobicContact CB-CE1 3.42Å; C187-F221 VanDerWaalsContact CB-CE1 3.42Å; C187-F221 HydrophobicContact CB-CE2 3.8Å; C187-F221 HydrophobicContact CB-CZ 3.18Å; C187-F221 VanDerWaalsContact SG-CD1 3.58Å; C187-F221 WeakPolarHBondContact SG-CE1 3.49Å; I193-F221 HydrophobicContact CD1-CE1 4.02Å; Y218-F221 VanDerWaalsContact CB-CE1 3.5Å; Y218-F221 HydrophobicContact CD2-CE1 4.42Å; Y218-F221 HydrophobicContact CG-CE1 4.13Å; Y218-F221 HydrophobicContact CG-CZ 4.36Å; K219-F221 WeakPolarHBondContact O-CD2 3.47Å; F221-A231 WeakPolarHBondContact CA-O 3.44Å; F221-A232 HydrophobicContact CD1-CB 3.62Å; F221-A232 HydrophobicContact CE1-CB 3.81Å
222A91.7Very high84.2Confident9 Ų946.7 Ų46.77%0.07425%0.249CC..EExtended strand (participates in β ladder)trans-134.8148.4174.200000110.5A231 L265 F267 L280A222-A231 PolarHBondContact N-O 2.97Å; A222-A231 PolarHBondContact O-N 3.44Å; A222-L265 HydrophobicContact CB-CB 3.71Å; A222-F267 HydrophobicContact CB-CD2 3.69Å; A222-F267 HydrophobicContact CB-CE2 3.97Å; A222-L280 HydrophobicContact CB-CD1 4.1Å
223V90.6Very high86Confident23 Ų2340.5 Ų40.514%0.13921%0.206CC..EExtended strand (participates in β ladder)trans-129.7143.8174.9173.60000109.6F176 L178 P179 L185 S229 L230 L244F176-V223 HydrophobicContact CE2-CG2 3.67Å; F176-V223 HydrophobicContact CZ-CG2 4.16Å; L178-V223 HydrophobicContact CD1-CB 4.5Å; L178-V223 HydrophobicContact CD1-CG1 3.7Å; L178-V223 HydrophobicContact CD1-CG2 4.16Å; P179-V223 HydrophobicContact CG-CG1 4.19Å; L185-V223 HydrophobicContact CD1-CG2 4.29Å; V223-S229 VanDerWaalsContact CA-O 3.28Å; V223-S229 WeakPolarHBondContact CA-O 3.49Å; V223-L230 HydrophobicContact CG2-CB 4.23Å; V223-L230 HydrophobicContact CG2-CD1 3.52Å; V223-L230 HydrophobicContact CG2-CG 4.49Å; V223-L244 HydrophobicContact CG1-CD1 4.49Å
224T88.4Confident87.4Confident2 Ų238.4 Ų38.41%0.01218%0.183CC..  trans-64.8153.8175.848.20000111.9D226 G227 S229 F267 S277T224-D226 WeakPolarHBondContact CB-OD1 3.36Å; T224-D226 PolarHBondContact O-N 3.11Å; T224-D226 VanDerWaalsContact O-N 3.13Å; T224-D226 PolarHBondContact OG1-OD1 3.49Å; T224-G227 PolarHBondContact O-N 3.32Å; T224-S229 PolarHBondContact N-O 3.02Å; T224-S229 VanDerWaalsContact N-O 3.1Å; T224-S229 PolarHBondContact OG1-N 3.08Å; T224-S229 PolarHBondContact OG1-O 2.9Å; T224-F267 HydrophobicContact CG2-CD1 3.81Å; T224-F267 HydrophobicContact CG2-CD2 4.02Å; T224-F267 HydrophobicContact CG2-CE1 3.7Å; T224-F267 HydrophobicContact CG2-CE2 3.91Å; T224-F267 HydrophobicContact CG2-CG 3.97Å; T224-F267 HydrophobicContact CG2-CZ 3.75Å; T224-S277 WeakPolarHBondContact CG2-O 3.39Å
225R82.2Confident88.3Confident124 Ų12441.7 Ų41.747%0.46818%0.184SC..THydrogen-bonded Turntrans-61.3-27.6-174.1-165.1-172.5-167.5138.611.7113.5P179 L180 G227 D270 P317P179-R225 WeakPolarHBondContact CB-O 3.47Å; L180-R225 WeakPolarHBondContact CD1-O 3.44Å; R225-G227 VanDerWaalsContact C-N 3.26Å; R225-G227 PolarHBondContact O-N 2.87Å; R225-D270 WeakPolarHBondContact CD-OD2 3.47Å; R225-P317 PolarHBondContact NH1-O 2.92Å; R225-P317 PolarHBondContact NH2-O 3.17Å
226D80.8Confident88.9Confident76 Ų7635.2 Ų35.241%0.40616%0.161SC..THydrogen-bonded Turntrans-77.2-4.5175.870.4-11.2000114.4T224 K228T224-D226 WeakPolarHBondContact CB-OD1 3.36Å; T224-D226 PolarHBondContact O-N 3.11Å; T224-D226 VanDerWaalsContact O-N 3.13Å; T224-D226 PolarHBondContact OG1-OD1 3.49Å; D226-K228 VanDerWaalsContact C-N 3.25Å; D226-K228 HydrophobicContact CB-CG 4.35Å; D226-K228 PolarHBondContact O-N 3.36Å; D226-K228 PolarHBondContact OD1-N 2.9Å; D226-K228 WeakPolarHBondContact OD2-CB 3.21Å; D226-K228 WeakPolarHBondContact OD2-CD 3.36Å; D226-K228 WeakPolarHBondContact OD2-CG 3.29Å
227G85.6Confident89.1Confident8 Ų837 Ų378%0.08217%0.171CC..SBendtrans72.57.6-177.700000115T224 R225 L244T224-G227 PolarHBondContact O-N 3.32Å; R225-G227 VanDerWaalsContact C-N 3.26Å; R225-G227 PolarHBondContact O-N 2.87Å; G227-L244 WeakPolarHBondContact O-CD1 3.1Å
228K87.3Confident89.2Confident83 Ų8334 Ų3436%0.36116%0.159SC..  trans-88.4-32.3-171.5-66.6-169.5175.6-122.80115.3D226 L244 E245D226-K228 VanDerWaalsContact C-N 3.25Å; D226-K228 HydrophobicContact CB-CG 4.35Å; D226-K228 PolarHBondContact O-N 3.36Å; D226-K228 PolarHBondContact OD1-N 2.9Å; D226-K228 WeakPolarHBondContact OD2-CB 3.21Å; D226-K228 WeakPolarHBondContact OD2-CD 3.36Å; D226-K228 WeakPolarHBondContact OD2-CG 3.29Å; K228-L244 PolarHBondContact O-N 2.97Å; K228-E245 IonicContact NZ-OE1 2.65Å; K228-E245 PolarHBondContact NZ-OE1 2.98Å; K228-E245 IonicContact NZ-OE2 3.28Å; K228-E245 PolarHBondContact NZ-OE2 3.38Å
229S89.6Confident89.3Confident27 Ų2734 Ų3419%0.18916%0.159CC..EExtended strand (participates in β ladder)trans-120.3129.2-174.5-570000112.1V223 T224 W242V223-S229 VanDerWaalsContact CA-O 3.28Å; V223-S229 WeakPolarHBondContact CA-O 3.49Å; T224-S229 PolarHBondContact N-O 3.02Å; T224-S229 VanDerWaalsContact N-O 3.1Å; T224-S229 PolarHBondContact OG1-N 3.08Å; T224-S229 PolarHBondContact OG1-O 2.9Å; S229-W242 WeakPolarHBondContact CA-O 3.3Å
230L92.6Very high89.4Confident0 Ų029.9 Ų29.90%014%0.142CC..EExtended strand (participates in β ladder)trans-104.9126.3172172.668.6000109.8F176 L185 I193 L207 V223 L241 W242 L244F176-L230 HydrophobicContact CZ-CD1 3.99Å; L185-L230 HydrophobicContact CD1-CD1 4.13Å; L185-L230 HydrophobicContact CD1-CD2 4.17Å; I193-L230 HydrophobicContact CD1-CD2 4.02Å; I193-L230 HydrophobicContact CG2-CD2 4.25Å; L207-L230 HydrophobicContact CD1-CD2 3.49Å; L207-L230 VanDerWaalsContact CD1-CD2 3.49Å; V223-L230 HydrophobicContact CG2-CB 4.23Å; V223-L230 HydrophobicContact CG2-CD1 3.52Å; V223-L230 HydrophobicContact CG2-CG 4.49Å; L230-L241 CarbonylContact O-C 3.42Å; L230-L241 VanDerWaalsContact O-CA 3.3Å; L230-L241 WeakPolarHBondContact O-CA 3.46Å; L230-W242 HydrophobicContact CB-CE3 4.48Å; L230-W242 HydrophobicContact CD2-CE3 4.01Å; L230-W242 HydrophobicContact CD2-CZ3 4.37Å; L230-W242 HydrophobicContact CG-CE3 4.11Å; L230-W242 HydrophobicContact CG-CZ3 4.49Å; L230-W242 PolarHBondContact N-O 3.32Å; L230-W242 PolarHBondContact O-N 3.4Å; L230-L244 HydrophobicContact CB-CD1 4.09Å; L230-L244 HydrophobicContact CB-CD2 3.9Å; L230-L244 HydrophobicContact CB-CG 4.1Å; L230-L244 HydrophobicContact CD2-CD2 4.36Å
231A92.7Very high89.5Confident2 Ų230.4 Ų30.42%0.01714%0.144CC..EExtended strand (participates in β ladder)trans-107.8130166.800000110.2F221 A222 H240 L241 L265 F267 L280F221-A231 WeakPolarHBondContact CA-O 3.44Å; A222-A231 PolarHBondContact N-O 2.97Å; A222-A231 PolarHBondContact O-N 3.44Å; A231-H240 CarbonylContact C-O 3.6Å; A231-H240 WeakPolarHBondContact CA-O 3.41Å; A231-L241 HydrophobicContact CB-CD1 4.07Å; A231-L265 HydrophobicContact CB-CD1 4.18Å; A231-F267 HydrophobicContact CB-CE2 3.92Å; A231-F267 HydrophobicContact CB-CZ 3.92Å; A231-L280 HydrophobicContact CB-CD1 4.21Å; A231-L280 HydrophobicContact CB-CD2 3.67Å
232A92.6Very high89.4Confident0 Ų030.2 Ų30.20%014%0.143CC..EExtended strand (participates in β ladder)trans-126.4148172.500000112.3Y218 A220 F221 L239 H240 W242Y218-A232 HydrophobicContact CD1-CB 3.6Å; Y218-A232 HydrophobicContact CE1-CB 3.99Å; Y218-A232 HydrophobicContact CG-CB 3.98Å; A220-A232 WeakPolarHBondContact O-CA 3.39Å; F221-A232 HydrophobicContact CD1-CB 3.62Å; F221-A232 HydrophobicContact CE1-CB 3.81Å; A232-L239 WeakPolarHBondContact O-CA 3.39Å; A232-H240 PolarHBondContact N-O 3.45Å; A232-H240 PolarHBondContact O-N 2.7Å; A232-W242 HydrophobicContact CB-CH2 3.99Å; A232-W242 HydrophobicContact CB-CZ3 3.59Å
233G91.5Very high89.4Confident0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-151.8160.1179.300000111.5Y218 K219 A220Y218-G233 WeakPolarHBondContact CA-O 3.44Å; K219-G233 PolarHBondContact N-O 3.29Å; A220-G233 PolarHBondContact N-O 3.4Å; A220-G233 PolarHBondContact O-N 2.96Å
234G90.6Very high89.3Confident1 Ų130.4 Ų30.41%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-160.7-134.9-171.400000113.1I216 F217 S236 T261 V262I216-G234 CarbonylContact O-C 3.39Å; F217-G234 WeakPolarHBondContact O-CA 3.43Å; G234-S236 PolarHBondContact O-N 2.91Å; G234-T261 CarbonylContact O-C 3.5Å; G234-T261 VanDerWaalsContact O-CA 3.26Å; G234-T261 WeakPolarHBondContact O-CA 3.47Å; G234-V262 PolarHBondContact O-N 2.94Å
235R88.9Confident89.3Confident165 Ų16536.6 Ų36.662%0.62317%0.172SC*.SBendtrans-8045.7175.4-67.3177.1161.6168.6-7.1112.8I216 F217 R260 T261I216-R235 WeakPolarHBondContact O-CA 3.46Å; I216-R235 PolarHBondContact O-N 3.25Å; F217-R235 HydrophobicContact CB-CB 4.45Å; F217-R235 HydrophobicContact CB-CG 4.5Å; R235-R260 CarbonylContact C-O 3.57Å; R235-T261 HydrophobicContact CB-CG2 4.41Å; R235-T261 HydrophobicContact CG-CG2 4.3Å
236S88.1Confident89.5Confident14 Ų1433.5 Ų33.510%0.09817%0.169CC..SBendtrans-146.8163.6177.6-173.30000110.7G234 L238 R260G234-S236 PolarHBondContact O-N 2.91Å; S236-L238 VanDerWaalsContact C-N 3.26Å; S236-L238 PolarHBondContact OG-N 3.41Å; S236-L238 VanDerWaalsContact OG-N 3.11Å; S236-R260 CarbonylContact C-O 3.54Å; S236-R260 PolarHBondContact N-O 3.23Å
237N88.1Confident89.9Confident39 Ų3934 Ų3421%0.20917%0.17CC..SBendtrans-82.4-5.2164.878-46000112.4Q254 M255 V259N237-Q254 VanDerWaalsContact ND2-CG 3.33Å; N237-Q254 WeakPolarHBondContact ND2-CG 3.49Å; N237-M255 PolarHBondContact ND2-O 3.01Å; N237-M255 VanDerWaalsContact O-CB 3.27Å; N237-M255 WeakPolarHBondContact O-CB 3.45Å; N237-M255 PolarHBondContact O-N 2.95Å; N237-V259 WeakPolarHBondContact CB-O 3.41Å
238L90.1Very high90Very high30 Ų3039.8 Ų39.816%0.15719%0.194CC..EExtended strand (participates in β ladder)trans-87.2138.1176-56.7-177.9000111.4I216 S236 V252 Q254I216-L238 HydrophobicContact CD1-CB 3.78Å; S236-L238 VanDerWaalsContact C-N 3.26Å; S236-L238 PolarHBondContact OG-N 3.41Å; S236-L238 VanDerWaalsContact OG-N 3.11Å; L238-V252 HydrophobicContact CB-CG1 4.27Å; L238-V252 HydrophobicContact CD1-CG1 4.28Å; L238-V252 HydrophobicContact CD2-CG1 4.02Å; L238-V252 HydrophobicContact CG-CG1 4.42Å; L238-Q254 HydrophobicContact CD2-CB 3.94Å; L238-Q254 HydrophobicContact CD2-CG 3.96Å
239L91.3Very high90.1Very high3 Ų338.3 Ų38.32%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-113.7135.5167.9-64.4175.2000109A232 V252 I253 M255 V262 L265 L280 V282 I292A232-L239 WeakPolarHBondContact O-CA 3.39Å; L239-V252 CarbonylContact O-C 3.54Å; L239-V252 WeakPolarHBondContact O-CA 3.34Å; L239-I253 HydrophobicContact CB-CB 4.29Å; L239-I253 PolarHBondContact N-O 2.86Å; L239-I253 PolarHBondContact O-N 3.48Å; L239-M255 HydrophobicContact CD1-CG 3.97Å; L239-M255 HydrophobicContact CD1-SD 3.87Å; L239-M255 HydrophobicContact CG-CG 4.18Å; L239-V262 HydrophobicContact CD2-CG1 4.43Å; L239-V262 HydrophobicContact CD2-CG2 3.9Å; L239-L265 HydrophobicContact CD1-CD2 4.42Å; L239-L265 HydrophobicContact CD2-CD1 4.11Å; L239-L265 HydrophobicContact CD2-CD2 3.95Å; L239-L280 HydrophobicContact CD1-CD2 4.37Å; L239-V282 HydrophobicContact CD1-CG1 4.14Å; L239-V282 HydrophobicContact CD1-CG2 3.67Å; L239-I292 HydrophobicContact CD1-CD1 3.97Å
240H91.6Very high90Very high13 Ų1341.1 Ų41.16%0.0621%0.206CC..EExtended strand (participates in β ladder)trans-106.9134176.4-71.9169.9000110.5P210 I216 Y218 A231 A232 W242 L249P210-H240 WeakPolarHBondContact CG-CE1 3.28Å; I216-H240 WeakPolarHBondContact CD1-CE1 3.36Å; Y218-H240 HydrophobicContact CE1-CB 4.38Å; Y218-H240 AromaticContact CE1-ND1 3.95Å; Y218-H240 AromaticContact CZ-ND1 3.82Å; Y218-H240 PolarHBondContact OH-ND1 3.49Å; A231-H240 CarbonylContact C-O 3.6Å; A231-H240 WeakPolarHBondContact CA-O 3.41Å; A232-H240 PolarHBondContact N-O 3.45Å; A232-H240 PolarHBondContact O-N 2.7Å; H240-W242 HydrophobicContact CB-CE3 4.22Å; H240-W242 HydrophobicContact CB-CH2 3.36Å; H240-W242 HydrophobicContact CB-CZ2 3.92Å; H240-W242 HydrophobicContact CB-CZ3 3.52Å; H240-W242 WeakPolarHBondContact O-CZ3 3.35Å; H240-L249 HydrophobicContact CB-CD1 3.76Å
241L92.2Very high89.8Confident13 Ų1345.6 Ų45.67%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-123.3109.4-176.9-17576000109.5L230 A231 V250 R251 F267 I294L230-L241 CarbonylContact O-C 3.42Å; L230-L241 VanDerWaalsContact O-CA 3.3Å; L230-L241 WeakPolarHBondContact O-CA 3.46Å; A231-L241 HydrophobicContact CB-CD1 4.07Å; L241-V250 PolarHBondContact O-N 3.26Å; L241-R251 HydrophobicContact CB-CB 4.3Å; L241-R251 HydrophobicContact CD2-CB 4.36Å; L241-R251 PolarHBondContact N-O 2.94Å; L241-R251 PolarHBondContact O-N 2.83Å; L241-R251 VanDerWaalsContact O-N 3.12Å; L241-F267 HydrophobicContact CD1-CZ 4.35Å; L241-I294 HydrophobicContact CD2-CB 4.08Å; L241-I294 HydrophobicContact CD2-CD1 4.32Å; L241-I294 HydrophobicContact CD2-CG1 4.46Å
242W92.1Very high89.7Confident3 Ų348.8 Ų48.81%0.01124%0.242CC..EExtended strand (participates in β ladder)trans-100.7145.7174.9-59.1-106.4000110.6I193 L207 P208 Y218 S229 L230 A232 H240 Q248 L249I193-W242 HydrophobicContact CD1-CH2 4.01Å; I193-W242 HydrophobicContact CD1-CZ2 4.43Å; I193-W242 HydrophobicContact CD1-CZ3 4.31Å; L207-W242 HydrophobicContact CD1-CB 4.35Å; L207-W242 HydrophobicContact CD1-CD2 4.41Å; L207-W242 HydrophobicContact CD1-CG 4.17Å; L207-W242 HydrophobicContact CD2-CB 4.48Å; P208-W242 PolarHBondContact O-NE1 2.88Å; Y218-W242 HydrophobicContact CE1-CH2 4.05Å; Y218-W242 HydrophobicContact CE2-CH2 4.09Å; Y218-W242 AromaticContact CZ-CH2 3.63Å; Y218-W242 WeakPolarHBondContact OH-CH2 3.4Å; S229-W242 WeakPolarHBondContact CA-O 3.3Å; L230-W242 HydrophobicContact CB-CE3 4.48Å; L230-W242 HydrophobicContact CD2-CE3 4.01Å; L230-W242 HydrophobicContact CD2-CZ3 4.37Å; L230-W242 HydrophobicContact CG-CE3 4.11Å; L230-W242 HydrophobicContact CG-CZ3 4.49Å; L230-W242 PolarHBondContact N-O 3.32Å; L230-W242 PolarHBondContact O-N 3.4Å; A232-W242 HydrophobicContact CB-CH2 3.99Å; A232-W242 HydrophobicContact CB-CZ3 3.59Å; H240-W242 HydrophobicContact CB-CE3 4.22Å; H240-W242 HydrophobicContact CB-CH2 3.36Å; H240-W242 HydrophobicContact CB-CZ2 3.92Å; H240-W242 HydrophobicContact CB-CZ3 3.52Å; H240-W242 WeakPolarHBondContact O-CZ3 3.35Å; W242-Q248 CarbonylContact C-O 3.56Å; W242-Q248 VanDerWaalsContact CA-O 3.26Å; W242-Q248 WeakPolarHBondContact CA-O 3.41Å; W242-L249 HydrophobicContact CD2-CD1 4.02Å; W242-L249 HydrophobicContact CG-CD1 4.25Å; W242-L249 HydrophobicContact CZ2-CD1 4.38Å
243C90.4Very high89.5Confident25 Ų2549.2 Ų49.217%0.16924%0.244CC..EExtended strand (participates in β ladder)trans-89.1125.8159.3177.90000108.4S246 Q247 Q248 V250C243-S246 WeakPolarHBondContact CB-OG 3.09Å; C243-Q247 VanDerWaalsContact O-CA 3.26Å; C243-Q247 WeakPolarHBondContact O-CA 3.13Å; C243-Q247 PolarHBondContact O-N 3Å; C243-Q248 PolarHBondContact N-O 3.3Å; C243-Q248 PolarHBondContact O-N 3.5Å; C243-V250 HydrophobicContact CB-CG2 3.53Å
244L89.4Confident89.4Confident10 Ų1056.4 Ų56.45%0.05228%0.278CS..THydrogen-bonded Turntrans-82.8-17.2-177.4-60.7176.9000112.5L178 L185 L207 V223 G227 K228 L230L178-L244 HydrophobicContact CD1-CD1 3.33Å; L178-L244 HydrophobicContact CD2-CD1 4.21Å; L178-L244 HydrophobicContact CG-CD1 4.4Å; L185-L244 HydrophobicContact CD1-CD1 4.19Å; L207-L244 HydrophobicContact CD1-CD2 3.67Å; L207-L244 HydrophobicContact CD2-CD2 4Å; L207-L244 HydrophobicContact CG-CD2 4.39Å; V223-L244 HydrophobicContact CG1-CD1 4.49Å; G227-L244 WeakPolarHBondContact O-CD1 3.1Å; K228-L244 PolarHBondContact O-N 2.97Å; L230-L244 HydrophobicContact CB-CD1 4.09Å; L230-L244 HydrophobicContact CB-CD2 3.9Å; L230-L244 HydrophobicContact CB-CG 4.1Å; L230-L244 HydrophobicContact CD2-CD2 4.36Å
245E87.1Confident89.3Confident132 Ų13256.7 Ų56.762%0.61728%0.279SS*.THydrogen-bonded Turntrans-78.4-39.6174.1-170.4169.6-151.700111.4K228K228-E245 IonicContact NZ-OE1 2.65Å; K228-E245 PolarHBondContact NZ-OE1 2.98Å; K228-E245 IonicContact NZ-OE2 3.28Å; K228-E245 PolarHBondContact NZ-OE2 3.38Å
246S87.1Confident89.2Confident59 Ų5952 Ų5241%0.41327%0.27SS..THydrogen-bonded Turntrans-94.6-5.7173.368.30000114.5C243 Q248C243-S246 WeakPolarHBondContact CB-OG 3.09Å; S246-Q248 WeakPolarHBondContact O-CG 3.43Å; S246-Q248 PolarHBondContact O-N 3.35Å
247Q89.1Confident88.8Confident88 Ų8855.9 Ų55.941%0.41130%0.297SS..THydrogen-bonded Turntrans57.822.8-179-56.1168.934.900114.4Y205 L207 P208 C243Y205-Q247 HydrophobicContact CD1-CG 4.1Å; Y205-Q247 HydrophobicContact CD2-CG 4.03Å; Y205-Q247 HydrophobicContact CE1-CG 4.21Å; Y205-Q247 HydrophobicContact CE2-CG 4.15Å; Y205-Q247 HydrophobicContact CG-CG 4.02Å; L207-Q247 HydrophobicContact CD2-CB 4.43Å; P208-Q247 WeakPolarHBondContact CD-O 3.34Å; C243-Q247 VanDerWaalsContact O-CA 3.26Å; C243-Q247 WeakPolarHBondContact O-CA 3.13Å; C243-Q247 PolarHBondContact O-N 3Å
248Q87.3Confident88.5Confident128 Ų12859.8 Ų59.860%0.59831%0.314SS*.EExtended strand (participates in β ladder)trans-117.4149.6-174.4-75.3175.3-3.800112.5W242 C243 S246 V250W242-Q248 CarbonylContact C-O 3.56Å; W242-Q248 VanDerWaalsContact CA-O 3.26Å; W242-Q248 WeakPolarHBondContact CA-O 3.41Å; C243-Q248 PolarHBondContact N-O 3.3Å; C243-Q248 PolarHBondContact O-N 3.5Å; S246-Q248 WeakPolarHBondContact O-CG 3.43Å; S246-Q248 PolarHBondContact O-N 3.35Å; Q248-V250 PolarHBondContact O-N 2.9Å
249L89.6Confident88.3Confident52 Ų5258.4 Ų58.427%0.27231%0.307SS..EExtended strand (participates in β ladder)trans-69.2109.7168.8-178.768.9000109.1P210 H240 W242 V252P210-L249 HydrophobicContact CB-CD2 3.76Å; P210-L249 HydrophobicContact CG-CD2 3.82Å; H240-L249 HydrophobicContact CB-CD1 3.76Å; W242-L249 HydrophobicContact CD2-CD1 4.02Å; W242-L249 HydrophobicContact CG-CD1 4.25Å; W242-L249 HydrophobicContact CZ2-CD1 4.38Å; L249-V252 HydrophobicContact CD2-CG2 4.13Å
250V88.8Confident88.1Confident86 Ų8666.8 Ų66.852%0.52134%0.338SS..EExtended strand (participates in β ladder)trans-84.2-33.6-178.7173.90000111.5L241 C243 Q248L241-V250 PolarHBondContact O-N 3.26Å; C243-V250 HydrophobicContact CB-CG2 3.53Å; Q248-V250 PolarHBondContact O-N 2.9Å
251R86.9Confident88Confident94 Ų9468.5 Ų68.536%0.35535%0.35SS..EExtended strand (participates in β ladder)trans-156.6145.1-178-162.2163.4-66.2-169.42.8114L241 I253 I294 H295 C297L241-R251 HydrophobicContact CB-CB 4.3Å; L241-R251 HydrophobicContact CD2-CB 4.36Å; L241-R251 PolarHBondContact N-O 2.94Å; L241-R251 PolarHBondContact O-N 2.83Å; L241-R251 VanDerWaalsContact O-N 3.12Å; R251-I253 HydrophobicContact CG-CG1 3.95Å; R251-I294 PolarHBondContact NH1-O 3.15Å; R251-H295 PolarHBondContact NH1-O 2.61Å; R251-C297 WeakPolarHBondContact CD-SG 3.18Å; R251-C297 PolarHBondContact NH1-SG 3.46Å
252V90.2Very high88Confident70 Ų7068.1 Ų68.142%0.42435%0.348SS..EExtended strand (participates in β ladder)trans-100.5122.3157.6-178.10000107.5L238 L239 L249L238-V252 HydrophobicContact CB-CG1 4.27Å; L238-V252 HydrophobicContact CD1-CG1 4.28Å; L238-V252 HydrophobicContact CD2-CG1 4.02Å; L238-V252 HydrophobicContact CG-CG1 4.42Å; L239-V252 CarbonylContact O-C 3.54Å; L239-V252 WeakPolarHBondContact O-CA 3.34Å; L249-V252 HydrophobicContact CD2-CG2 4.13Å
253I89.4Confident87.9Confident9 Ų973.7 Ų73.75%0.04637%0.369CS..EExtended strand (participates in β ladder)trans-107120175.6-53179.6000108.2L239 R251 I292 I294 C297L239-I253 HydrophobicContact CB-CB 4.29Å; L239-I253 PolarHBondContact N-O 2.86Å; L239-I253 PolarHBondContact O-N 3.48Å; R251-I253 HydrophobicContact CG-CG1 3.95Å; I253-I292 HydrophobicContact CD1-CD1 4.26Å; I253-I292 HydrophobicContact CG2-CD1 4.08Å; I253-I294 HydrophobicContact CD1-CB 4.41Å; I253-C297 HydrophobicContact CG2-CB 4.4Å
254Q89.2Confident88Confident150 Ų15074.6 Ų74.670%0.70137%0.371SS*.EExtended strand (participates in β ladder)trans-90.2116.7177.3-175.1175.7-8.200110.5N237 L238N237-Q254 VanDerWaalsContact ND2-CG 3.33Å; N237-Q254 WeakPolarHBondContact ND2-CG 3.49Å; L238-Q254 HydrophobicContact CD2-CB 3.94Å; L238-Q254 HydrophobicContact CD2-CG 3.96Å
255M89Confident88.2Confident7 Ų774.5 Ų74.53%0.03437%0.37CS..PPolyproline II helixtrans-77.2157.2172.3-61.8-61.3-70.800111.3N237 L239 V259 V282 R290 I292N237-M255 PolarHBondContact ND2-O 3.01Å; N237-M255 VanDerWaalsContact O-CB 3.27Å; N237-M255 WeakPolarHBondContact O-CB 3.45Å; N237-M255 PolarHBondContact O-N 2.95Å; L239-M255 HydrophobicContact CD1-CG 3.97Å; L239-M255 HydrophobicContact CD1-SD 3.87Å; L239-M255 HydrophobicContact CG-CG 4.18Å; M255-V259 HydrophobicContact CB-CB 3.91Å; M255-V259 HydrophobicContact CB-CG1 3.98Å; M255-V259 HydrophobicContact CB-CG2 4.19Å; M255-V259 HydrophobicContact CG-CG1 4.39Å; M255-V282 HydrophobicContact CE-CB 4.06Å; M255-V282 HydrophobicContact CE-CG1 4.03Å; M255-V282 HydrophobicContact CE-CG2 4.21Å; M255-V282 HydrophobicContact SD-CG2 4.44Å; M255-R290 HydrophobicContact CE-CB 4.29Å; M255-I292 HydrophobicContact CE-CG2 4.19Å; M255-I292 HydrophobicContact SD-CD1 4.01Å; M255-I292 HydrophobicContact SD-CG2 4.31Å
256P85.4Confident88.4Confident66 Ų6670 Ų7043%0.42935%0.35SS..PPolyproline II helixtrans-52.4145.8174.1-26.335.6000112.2Q258 V259P256-Q258 PolarHBondContact O-N 2.83Å; P256-V259 WeakPolarHBondContact O-CB 3.09Å; P256-V259 PolarHBondContact O-N 3.34Å
257S80.9Confident88.5Confident97 Ų9768.1 Ų68.168%0.67833%0.334SS*.THydrogen-bonded Turntrans-62.8-11.9-170.754.90000115.4V259S257-V259 VanDerWaalsContact C-N 3.33Å
258Q81.7Confident88.3Confident121 Ų12164 Ų6457%0.56532%0.315SS*.THydrogen-bonded Turntrans-69.4-30.1170.2-59.180.32.800112.1P256 R260 Q285P256-Q258 PolarHBondContact O-N 2.83Å; Q258-R260 PolarHBondContact O-N 2.93Å; Q258-Q285 PolarHBondContact O-NE2 3.26Å
259V86Confident87.7Confident1 Ų158.7 Ų58.71%0.00629%0.291CS..  trans-77.7111.6173.6176.10000108N237 M255 P256 S257 V262N237-V259 WeakPolarHBondContact CB-O 3.41Å; M255-V259 HydrophobicContact CB-CB 3.91Å; M255-V259 HydrophobicContact CB-CG1 3.98Å; M255-V259 HydrophobicContact CB-CG2 4.19Å; M255-V259 HydrophobicContact CG-CG1 4.39Å; P256-V259 WeakPolarHBondContact O-CB 3.09Å; P256-V259 PolarHBondContact O-N 3.34Å; S257-V259 VanDerWaalsContact C-N 3.33Å; V259-V262 HydrophobicContact CG1-CG2 4.27Å
260R85.9Confident86.4Confident178 Ų17858.7 Ų58.767%0.67229%0.291SS*.  trans-111-30.2178.7-65.3-171-67.7173.8-2.2113R235 S236 Q258R235-R260 CarbonylContact C-O 3.57Å; S236-R260 CarbonylContact C-O 3.54Å; S236-R260 PolarHBondContact N-O 3.23Å; Q258-R260 PolarHBondContact O-N 2.93Å
261T90.5Very high84.9Confident50 Ų5058.3 Ų58.331%0.30729%0.293SS..  trans-140.7137.5171.2760000111.1G234 R235 S284 Q285G234-T261 CarbonylContact O-C 3.5Å; G234-T261 VanDerWaalsContact O-CA 3.26Å; G234-T261 WeakPolarHBondContact O-CA 3.47Å; R235-T261 HydrophobicContact CB-CG2 4.41Å; R235-T261 HydrophobicContact CG-CG2 4.3Å; T261-S284 WeakPolarHBondContact O-CA 3.47Å; T261-Q285 PolarHBondContact O-N 3.44Å; T261-Q285 PolarHBondContact O-OE1 3.4Å; T261-Q285 WeakPolarHBondContact OG1-CB 3.38Å
262V92.5Very high83.5Confident4 Ų455 Ų552%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-92.9121.7174.6-176.40000108.9A220 G234 L239 V259 L265 V282A220-V262 HydrophobicContact CB-CB 4.49Å; A220-V262 HydrophobicContact CB-CG1 3.8Å; G234-V262 PolarHBondContact O-N 2.94Å; L239-V262 HydrophobicContact CD2-CG1 4.43Å; L239-V262 HydrophobicContact CD2-CG2 3.9Å; V259-V262 HydrophobicContact CG1-CG2 4.27Å; V262-L265 HydrophobicContact CG1-CD2 3.82Å; V262-L265 HydrophobicContact CG1-CG 3.92Å; V262-V282 HydrophobicContact CG1-CG1 3.86Å; V262-V282 HydrophobicContact CG2-CG1 4.03Å
263R90.5Very high81.6Confident120 Ų12053.7 Ų53.745%0.45327%0.272SS..EExtended strand (participates in β ladder)trans-84.6-46.8178.9-68.1-179.2174163.92.5111.6L283 Q285 I310R263-L283 HydrophobicContact CB-CD2 4.39Å; R263-L283 HydrophobicContact CB-CG 4.31Å; R263-L283 PolarHBondContact N-O 3.17Å; R263-Q285 PolarHBondContact NH2-O 2.83Å; R263-Q285 VanDerWaalsContact NH2-O 3.09Å; R263-I310 PolarHBondContact NH1-O 2.89Å
264Q91.6Very high79.7Confident45 Ų4557.1 Ų57.121%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-142.3148.2-177.7178.8170.9-11.200110.4E266 L283 V313Q264-E266 PolarHBondContact NE2-OE2 2.82Å; Q264-L283 HydrophobicContact CB-CB 4.06Å; Q264-L283 HydrophobicContact CB-CD2 4.14Å; Q264-L283 PolarHBondContact N-O 3.42Å; Q264-L283 PolarHBondContact O-N 3.03Å; Q264-V313 PolarHBondContact NE2-O 3.03Å; Q264-V313 VanDerWaalsContact OE1-N 3.07Å; Q264-V313 PolarHBondContact OE1-O 3.48Å
265L93.9Very high78.1Confident8 Ų852.4 Ų52.44%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-125.2141.9170.7-74.1179.4000107.2A220 A222 A231 L239 V262 L280 G281 V282A220-L265 HydrophobicContact CB-CB 4.18Å; A220-L265 HydrophobicContact CB-CD1 4.21Å; A220-L265 HydrophobicContact CB-CG 3.76Å; A222-L265 HydrophobicContact CB-CB 3.71Å; A231-L265 HydrophobicContact CB-CD1 4.18Å; L239-L265 HydrophobicContact CD1-CD2 4.42Å; L239-L265 HydrophobicContact CD2-CD1 4.11Å; L239-L265 HydrophobicContact CD2-CD2 3.95Å; V262-L265 HydrophobicContact CG1-CD2 3.82Å; V262-L265 HydrophobicContact CG1-CG 3.92Å; L265-L280 HydrophobicContact CB-CD1 4.29Å; L265-L280 HydrophobicContact CD2-CD1 4.23Å; L265-L280 HydrophobicContact CD2-CD2 4.22Å; L265-L280 HydrophobicContact CD2-CG 4.29Å; L265-G281 WeakPolarHBondContact CA-O 3.25Å; L265-V282 HydrophobicContact CD2-CB 4.12Å; L265-V282 HydrophobicContact CD2-CG1 3.95Å; L265-V282 HydrophobicContact CD2-CG2 3.81Å
266E91.1Very high76.4Confident38 Ų3854.2 Ų54.218%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-155.5130.3177.2-160.3160.8-177.800110.5Q264 G281 V315Q264-E266 PolarHBondContact NE2-OE2 2.82Å; E266-G281 PolarHBondContact N-O 2.85Å; E266-G281 VanDerWaalsContact N-O 3.08Å; E266-G281 WeakPolarHBondContact O-CA 3.31Å; E266-G281 PolarHBondContact O-N 3.2Å; E266-V315 HydrophobicContact CG-CB 4.3Å; E266-V315 HydrophobicContact CG-CG2 3.88Å; E266-V315 WeakPolarHBondContact OE1-CB 3.5Å; E266-V315 PolarHBondContact OE1-N 3.37Å
267F89.4Confident75.5Confident19 Ų1951.7 Ų51.78%0.08330%0.3CS..EExtended strand (participates in β ladder)trans-83.3137174.9-80-78.5000110.1A222 T224 A231 L241 L280 I294A222-F267 HydrophobicContact CB-CD2 3.69Å; A222-F267 HydrophobicContact CB-CE2 3.97Å; T224-F267 HydrophobicContact CG2-CD1 3.81Å; T224-F267 HydrophobicContact CG2-CD2 4.02Å; T224-F267 HydrophobicContact CG2-CE1 3.7Å; T224-F267 HydrophobicContact CG2-CE2 3.91Å; T224-F267 HydrophobicContact CG2-CG 3.97Å; T224-F267 HydrophobicContact CG2-CZ 3.75Å; A231-F267 HydrophobicContact CB-CE2 3.92Å; A231-F267 HydrophobicContact CB-CZ 3.92Å; L241-F267 HydrophobicContact CD1-CZ 4.35Å; F267-L280 HydrophobicContact CD1-CB 4.09Å; F267-L280 HydrophobicContact CD1-CD1 4.11Å; F267-L280 HydrophobicContact CD2-CD1 4.08Å; F267-L280 HydrophobicContact CE1-CB 3.84Å; F267-L280 HydrophobicContact CE1-CD1 4.03Å; F267-L280 HydrophobicContact CE1-CG 4.39Å; F267-L280 HydrophobicContact CE2-CD1 4Å; F267-L280 HydrophobicContact CG-CD1 4.14Å; F267-L280 HydrophobicContact CZ-CB 4.44Å; F267-L280 HydrophobicContact CZ-CD1 3.97Å; F267-I294 HydrophobicContact CE1-CD1 4.15Å; F267-I294 HydrophobicContact CE1-CG2 4Å
268L84.4Confident75.3Confident2 Ų249.4 Ų49.41%0.0128%0.279CS..PPolyproline II helixtrans-77129.2171.1-64.9-176.9000109.7F272 T279 F291 F301 V315 I322L268-F272 HydrophobicContact CB-CB 3.88Å; L268-F272 HydrophobicContact CB-CD1 4.13Å; L268-F272 HydrophobicContact CB-CG 3.89Å; L268-F272 HydrophobicContact CD1-CB 4.46Å; L268-F272 HydrophobicContact CD1-CD1 3.5Å; L268-F272 HydrophobicContact CD1-CD2 3.67Å; L268-F272 HydrophobicContact CD1-CE1 3.55Å; L268-F272 HydrophobicContact CD1-CE2 3.68Å; L268-F272 HydrophobicContact CD1-CG 3.57Å; L268-F272 HydrophobicContact CD1-CZ 3.64Å; L268-F272 HydrophobicContact CG-CD1 4.47Å; L268-F272 HydrophobicContact CG-CG 4.36Å; L268-T279 HydrophobicContact CD1-CG2 3.83Å; L268-T279 HydrophobicContact CG-CG2 4.34Å; L268-T279 PolarHBondContact N-O 2.83Å; L268-F291 HydrophobicContact CD1-CD1 3.58Å; L268-F291 HydrophobicContact CD1-CE1 3.69Å; L268-F291 HydrophobicContact CD1-CG 4.38Å; L268-F291 HydrophobicContact CD2-CD1 4.38Å; L268-F291 HydrophobicContact CD2-CE1 3.7Å; L268-F291 HydrophobicContact CD2-CZ 4.41Å; L268-F291 HydrophobicContact CG-CD1 3.93Å; L268-F291 HydrophobicContact CG-CE1 3.76Å; L268-F301 HydrophobicContact CD1-CZ 4.17Å; L268-V315 HydrophobicContact CD2-CB 4.45Å; L268-V315 HydrophobicContact CD2-CG1 3.81Å; L268-V315 HydrophobicContact CD2-CG2 3.74Å; L268-I322 HydrophobicContact CD2-CD1 3.84Å
269P74.1Confident75.6Confident16 Ų1643.8 Ų43.810%0.10425%0.253CS..PPolyproline II helixtrans-61.9162.8179.9-26.935.5000114.4S271 F272 V315P269-S271 PolarHBondContact O-N 3.49Å; P269-F272 VanDerWaalsContact O-CB 3.29Å; P269-F272 WeakPolarHBondContact O-CB 3.34Å; P269-F272 PolarHBondContact O-N 2.92Å; P269-V315 HydrophobicContact CG-CG1 4.26Å
270D63.8Low75.8Confident51 Ų5143.8 Ų43.827%0.27325%0.253SS..THydrogen-bonded Turntrans-50.1-22.1-171.2-55.4-67000117R225 F272 G274 G275 S277R225-D270 WeakPolarHBondContact CD-OD2 3.47Å; D270-F272 PolarHBondContact O-N 3.28Å; D270-G274 PolarHBondContact O-N 3.32Å; D270-G275 PolarHBondContact O-N 3.01Å; D270-S277 PolarHBondContact OD1-OG 2.99Å
271S56.4Low76.1Confident79 Ų7935.3 Ų35.355%0.55222%0.221SC*.THydrogen-bonded Turntrans-70.7-15.1174.153.60000113.8P269 N318 G319P269-S271 PolarHBondContact O-N 3.49Å; S271-N318 WeakPolarHBondContact CB-O 3.46Å; S271-N318 PolarHBondContact OG-O 3.35Å; S271-G319 VanDerWaalsContact OG-CA 3.31Å; S271-G319 WeakPolarHBondContact OG-CA 3.15Å
272F56.5Low76.2Confident25 Ų2532.9 Ų32.911%0.1121%0.206CC..THydrogen-bonded Turntrans-82.9-33.8-179.4-166.2-94000113.6L268 P269 D270 T279 F301 A336 T340L268-F272 HydrophobicContact CB-CB 3.88Å; L268-F272 HydrophobicContact CB-CD1 4.13Å; L268-F272 HydrophobicContact CB-CG 3.89Å; L268-F272 HydrophobicContact CD1-CB 4.46Å; L268-F272 HydrophobicContact CD1-CD1 3.5Å; L268-F272 HydrophobicContact CD1-CD2 3.67Å; L268-F272 HydrophobicContact CD1-CE1 3.55Å; L268-F272 HydrophobicContact CD1-CE2 3.68Å; L268-F272 HydrophobicContact CD1-CG 3.57Å; L268-F272 HydrophobicContact CD1-CZ 3.64Å; L268-F272 HydrophobicContact CG-CD1 4.47Å; L268-F272 HydrophobicContact CG-CG 4.36Å; P269-F272 VanDerWaalsContact O-CB 3.29Å; P269-F272 WeakPolarHBondContact O-CB 3.34Å; P269-F272 PolarHBondContact O-N 2.92Å; D270-F272 PolarHBondContact O-N 3.28Å; F272-T279 HydrophobicContact CD1-CG2 4.14Å; F272-T279 HydrophobicContact CE1-CG2 4Å; F272-F301 AromaticContact CE1-CE1 3.74Å; F272-F301 HydrophobicContact CE1-CE1 3.74Å; F272-F301 HydrophobicContact CE1-CZ 4.1Å; F272-F301 HydrophobicContact CE2-CE1 4.47Å; F272-F301 HydrophobicContact CE2-CZ 4.14Å; F272-F301 HydrophobicContact CZ-CD1 4.49Å; F272-F301 AromaticContact CZ-CE1 3.35Å; F272-F301 HydrophobicContact CZ-CE1 3.35Å; F272-F301 AromaticContact CZ-CZ 3.4Å; F272-F301 HydrophobicContact CZ-CZ 3.4Å; F272-A336 HydrophobicContact CD2-CB 3.87Å; F272-A336 HydrophobicContact CE2-CB 4Å; F272-T340 HydrophobicContact CD2-CG2 4.07Å; F272-T340 HydrophobicContact CE1-CG2 3.91Å; F272-T340 HydrophobicContact CE2-CG2 3.37Å; F272-T340 HydrophobicContact CZ-CG2 3.25Å
273D52.2Low76.2Confident42 Ų4232.7 Ų32.723%0.22521%0.205CC..THydrogen-bonded Turntrans-127.814.5-171.567.512.9000114.8A276 S277 Q278 T279D273-A276 HydrophobicContact CB-CB 4.42Å; D273-A276 PolarHBondContact OD1-N 3.29Å; D273-S277 PolarHBondContact OD1-N 3Å; D273-S277 PolarHBondContact OD2-N 3.48Å; D273-S277 VanDerWaalsContact OD2-N 3.11Å; D273-Q278 PolarHBondContact OD2-N 2.87Å; D273-T279 PolarHBondContact OD2-N 2.95Å
274G49.6Very low76.2Confident80 Ų8027 Ų2783%0.82518%0.184SC*.THydrogen-bonded Turntrans81.222.317600000114.4D270D270-G274 PolarHBondContact O-N 3.32Å
275G53.8Low76.1Confident52 Ų5227.3 Ų27.354%0.53619%0.185SC..SBendtrans83.935.1-177.900000113.6D270D270-G275 PolarHBondContact O-N 3.01Å
276A54.2Low75.8Confident45 Ų4528.7 Ų28.737%0.37219%0.192SC..  trans-102.9-22.3178.800000112.7D273 Q278D273-A276 HydrophobicContact CB-CB 4.42Å; D273-A276 PolarHBondContact OD1-N 3.29Å; A276-Q278 VanDerWaalsContact C-N 3.26Å; A276-Q278 HydrophobicContact CB-CG 3.75Å; A276-Q278 VanDerWaalsContact O-CG 3.22Å; A276-Q278 WeakPolarHBondContact O-CG 3.2Å; A276-Q278 PolarHBondContact O-N 3.06Å
277S65.8Low75.7Confident12 Ų1226.9 Ų26.98%0.08418%0.184CC..  trans52.740.4180-93.50000113.1T224 D270 D273T224-S277 WeakPolarHBondContact CG2-O 3.39Å; D270-S277 PolarHBondContact OD1-OG 2.99Å; D273-S277 PolarHBondContact OD1-N 3Å; D273-S277 PolarHBondContact OD2-N 3.48Å; D273-S277 VanDerWaalsContact OD2-N 3.11Å
278Q77.7Confident75.7Confident49 Ų4926.2 Ų26.223%0.22918%0.181CC..  trans-106.7-10.6-173.8-54.8-170.24.800114.9D273 A276 N293 I294 H295D273-Q278 PolarHBondContact OD2-N 2.87Å; A276-Q278 VanDerWaalsContact C-N 3.26Å; A276-Q278 HydrophobicContact CB-CG 3.75Å; A276-Q278 VanDerWaalsContact O-CG 3.22Å; A276-Q278 WeakPolarHBondContact O-CG 3.2Å; A276-Q278 PolarHBondContact O-N 3.06Å; Q278-N293 VanDerWaalsContact CB-ND2 3.33Å; Q278-N293 WeakPolarHBondContact CB-ND2 3.38Å; Q278-N293 WeakPolarHBondContact O-CA 3.26Å; Q278-N293 PolarHBondContact OE1-ND2 2.97Å; Q278-I294 HydrophobicContact CB-CG1 4.22Å; Q278-I294 WeakPolarHBondContact O-CG1 3.19Å; Q278-I294 PolarHBondContact O-N 3.06Å; Q278-H295 VanDerWaalsContact CD-ND1 3.29Å
279T87.4Confident76Confident3 Ų326.1 Ų26.12%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-96.4114.9-173.9-53.20000111.9L268 F272 D273 F291 I292 L300L268-T279 HydrophobicContact CD1-CG2 3.83Å; L268-T279 HydrophobicContact CG-CG2 4.34Å; L268-T279 PolarHBondContact N-O 2.83Å; F272-T279 HydrophobicContact CD1-CG2 4.14Å; F272-T279 HydrophobicContact CE1-CG2 4Å; D273-T279 PolarHBondContact OD2-N 2.95Å; T279-F291 HydrophobicContact CG2-CB 4.16Å; T279-F291 HydrophobicContact CG2-CD1 4.35Å; T279-I292 WeakPolarHBondContact CA-O 3.48Å; T279-L300 HydrophobicContact CG2-CD1 3.9Å
280L90.9Very high76.8Confident1 Ų127.2 Ų27.21%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-106.7121179.1178.562.8000110.2A222 A231 L239 L265 F267 V282 F291 I292 I294A222-L280 HydrophobicContact CB-CD1 4.1Å; A231-L280 HydrophobicContact CB-CD1 4.21Å; A231-L280 HydrophobicContact CB-CD2 3.67Å; L239-L280 HydrophobicContact CD1-CD2 4.37Å; L265-L280 HydrophobicContact CB-CD1 4.29Å; L265-L280 HydrophobicContact CD2-CD1 4.23Å; L265-L280 HydrophobicContact CD2-CD2 4.22Å; L265-L280 HydrophobicContact CD2-CG 4.29Å; F267-L280 HydrophobicContact CD1-CB 4.09Å; F267-L280 HydrophobicContact CD1-CD1 4.11Å; F267-L280 HydrophobicContact CD2-CD1 4.08Å; F267-L280 HydrophobicContact CE1-CB 3.84Å; F267-L280 HydrophobicContact CE1-CD1 4.03Å; F267-L280 HydrophobicContact CE1-CG 4.39Å; F267-L280 HydrophobicContact CE2-CD1 4Å; F267-L280 HydrophobicContact CG-CD1 4.14Å; F267-L280 HydrophobicContact CZ-CB 4.44Å; F267-L280 HydrophobicContact CZ-CD1 3.97Å; L280-V282 HydrophobicContact CD2-CG2 4.4Å; L280-V282 HydrophobicContact CG-CG2 4.17Å; L280-F291 WeakPolarHBondContact O-CA 3.36Å; L280-I292 HydrophobicContact CB-CG1 4.1Å; L280-I292 HydrophobicContact CD2-CD1 4.42Å; L280-I292 PolarHBondContact N-O 3.17Å; L280-I292 WeakPolarHBondContact O-CG1 3.27Å; L280-I292 PolarHBondContact O-N 2.78Å; L280-I294 HydrophobicContact CB-CG2 3.85Å; L280-I294 HydrophobicContact CD2-CG2 4.35Å
281G90.9Very high78Confident0 Ų024.8 Ų24.80%017%0.17CC..EExtended strand (participates in β ladder)trans-79.3132.3165.800000111.2L265 E266L265-G281 WeakPolarHBondContact CA-O 3.25Å; E266-G281 PolarHBondContact N-O 2.85Å; E266-G281 VanDerWaalsContact N-O 3.08Å; E266-G281 WeakPolarHBondContact O-CA 3.31Å; E266-G281 PolarHBondContact O-N 3.2Å
282V92.8Very high79.6Confident0 Ų021.3 Ų21.30%015%0.145CC..EExtended strand (participates in β ladder)trans-124.5104.3-179.4-171.60000109.3L239 M255 V262 L265 L280 M289 R290 I292L239-V282 HydrophobicContact CD1-CG1 4.14Å; L239-V282 HydrophobicContact CD1-CG2 3.67Å; M255-V282 HydrophobicContact CE-CB 4.06Å; M255-V282 HydrophobicContact CE-CG1 4.03Å; M255-V282 HydrophobicContact CE-CG2 4.21Å; M255-V282 HydrophobicContact SD-CG2 4.44Å; V262-V282 HydrophobicContact CG1-CG1 3.86Å; V262-V282 HydrophobicContact CG2-CG1 4.03Å; L265-V282 HydrophobicContact CD2-CB 4.12Å; L265-V282 HydrophobicContact CD2-CG1 3.95Å; L265-V282 HydrophobicContact CD2-CG2 3.81Å; L280-V282 HydrophobicContact CD2-CG2 4.4Å; L280-V282 HydrophobicContact CG-CG2 4.17Å; V282-M289 PolarHBondContact N-SD 3.38Å; V282-R290 PolarHBondContact N-O 2.93Å; V282-R290 PolarHBondContact O-N 2.59Å; V282-I292 HydrophobicContact CG2-CD1 4.01Å; V282-I292 HydrophobicContact CG2-CG1 4.07Å
283L92.8Very high81Confident0 Ų021 Ų210%015%0.145CC..EExtended strand (participates in β ladder)trans-89.1116.1175.2179.362.8000109.4R263 Q264 M289 I310R263-L283 HydrophobicContact CB-CD2 4.39Å; R263-L283 HydrophobicContact CB-CG 4.31Å; R263-L283 PolarHBondContact N-O 3.17Å; Q264-L283 HydrophobicContact CB-CB 4.06Å; Q264-L283 HydrophobicContact CB-CD2 4.14Å; Q264-L283 PolarHBondContact N-O 3.42Å; Q264-L283 PolarHBondContact O-N 3.03Å; L283-M289 HydrophobicContact CB-CE 4.04Å; L283-M289 HydrophobicContact CB-SD 3.94Å; L283-M289 HydrophobicContact CD1-CB 4.24Å; L283-M289 PolarHBondContact N-SD 2.85Å; L283-M289 VanDerWaalsContact N-SD 3.41Å; L283-I310 HydrophobicContact CD1-CB 3.93Å; L283-I310 HydrophobicContact CD1-CG2 4.08Å; L283-I310 HydrophobicContact CD2-CG2 4.2Å
284S91.6Very high82.6Confident0 Ų019.3 Ų19.30%014%0.136CC..EExtended strand (participates in β ladder)trans-103175.5-177.640.80000113.1T261 D286 G287 V288 R290T261-S284 WeakPolarHBondContact O-CA 3.47Å; S284-D286 VanDerWaalsContact CB-OD1 3.3Å; S284-D286 WeakPolarHBondContact CB-OD1 3.3Å; S284-D286 PolarHBondContact O-N 3.23Å; S284-D286 VanDerWaalsContact O-N 3.15Å; S284-D286 PolarHBondContact OG-OD1 2.94Å; S284-G287 PolarHBondContact O-N 2.92Å; S284-G287 VanDerWaalsContact O-N 3.17Å; S284-V288 PolarHBondContact N-O 3.35Å; S284-V288 PolarHBondContact OG-O 3.37Å; S284-R290 PolarHBondContact OG-NH1 3.06Å
285Q89.7Confident84.2Confident51 Ų5121 Ų2124%0.23812%0.122CC..THydrogen-bonded Turntrans-66.7-15.6-173.385.3-68.3-33.600115Q258 T261 R263 G287Q258-Q285 PolarHBondContact O-NE2 3.26Å; T261-Q285 PolarHBondContact O-N 3.44Å; T261-Q285 PolarHBondContact O-OE1 3.4Å; T261-Q285 WeakPolarHBondContact OG1-CB 3.38Å; R263-Q285 PolarHBondContact NH2-O 2.83Å; R263-Q285 VanDerWaalsContact NH2-O 3.09Å; Q285-G287 VanDerWaalsContact C-N 3.25Å
286D87.1Confident85.5Confident37 Ų3722.3 Ų22.320%0.19812%0.119CC..THydrogen-bonded Turntrans-81.52.7176.562.4-20.1000113.4S284 V288 R290S284-D286 VanDerWaalsContact CB-OD1 3.3Å; S284-D286 WeakPolarHBondContact CB-OD1 3.3Å; S284-D286 PolarHBondContact O-N 3.23Å; S284-D286 VanDerWaalsContact O-N 3.15Å; S284-D286 PolarHBondContact OG-OD1 2.94Å; D286-V288 PolarHBondContact O-N 3.3Å; D286-V288 PolarHBondContact OD1-N 3.39Å; D286-R290 IonicContact OD1-NH1 2.67Å; D286-R290 PolarHBondContact OD1-NH1 3.36Å; D286-R290 VanDerWaalsContact OD1-NH1 3.16Å; D286-R290 IonicContact OD2-CZ 3.99Å; D286-R290 IonicContact OD2-NH1 2.63Å; D286-R290 PolarHBondContact OD2-NH1 2.96Å; D286-R290 IonicContact OD2-NH2 3.41Å; D286-R290 PolarHBondContact OD2-NH2 2.67Å
287G87.8Confident86.9Confident0 Ų022.7 Ų22.70%012%0.119CC..SBendtrans78.13.2178.500000114.7S284 Q285 I310S284-G287 PolarHBondContact O-N 2.92Å; S284-G287 VanDerWaalsContact O-N 3.17Å; Q285-G287 VanDerWaalsContact C-N 3.25Å; G287-I310 WeakPolarHBondContact O-CB 3.43Å; G287-I310 WeakPolarHBondContact O-CG1 3.36Å; G287-I310 PolarHBondContact O-N 3.44Å
288V90.2Very high87.7Confident5 Ų529 Ų293%0.0315%0.145CC..  trans-97.6125179.7-178.50000109.9S284 D286 R290 H302S284-V288 PolarHBondContact N-O 3.35Å; S284-V288 PolarHBondContact OG-O 3.37Å; D286-V288 PolarHBondContact O-N 3.3Å; D286-V288 PolarHBondContact OD1-N 3.39Å; V288-R290 HydrophobicContact CG1-CG 4.04Å; V288-H302 HydrophobicContact CG1-CB 3.87Å
289M90.9Very high88.1Confident0 Ų030.9 Ų30.90%016%0.156CC..EExtended strand (participates in β ladder)trans-86.3116.4171.7175.963.110400109.1V282 L283 F291 H302 M303 I310 V313V282-M289 PolarHBondContact N-SD 3.38Å; L283-M289 HydrophobicContact CB-CE 4.04Å; L283-M289 HydrophobicContact CB-SD 3.94Å; L283-M289 HydrophobicContact CD1-CB 4.24Å; L283-M289 PolarHBondContact N-SD 2.85Å; L283-M289 VanDerWaalsContact N-SD 3.41Å; M289-F291 HydrophobicContact CB-CE2 4.41Å; M289-F291 HydrophobicContact CG-CD2 4.25Å; M289-F291 HydrophobicContact CG-CE1 4.2Å; M289-F291 HydrophobicContact CG-CE2 3.48Å; M289-F291 VanDerWaalsContact CG-CE2 3.48Å; M289-F291 HydrophobicContact CG-CZ 3.46Å; M289-F291 VanDerWaalsContact CG-CZ 3.46Å; M289-F291 HydrophobicContact SD-CZ 4.31Å; M289-H302 CarbonylContact O-C 3.54Å; M289-H302 VanDerWaalsContact O-CA 3.26Å; M289-H302 WeakPolarHBondContact O-CA 3.44Å; M289-M303 HydrophobicContact CB-CB 4.35Å; M289-M303 HydrophobicContact CB-CE 3.95Å; M289-M303 HydrophobicContact CG-CE 3.98Å; M289-M303 PolarHBondContact N-O 3.41Å; M289-M303 PolarHBondContact O-N 2.85Å; M289-I310 HydrophobicContact CB-CD1 4.25Å; M289-V313 HydrophobicContact CE-CB 3.87Å; M289-V313 HydrophobicContact CE-CG1 3.99Å; M289-V313 HydrophobicContact CE-CG2 3.81Å
290R89.9Confident87.8Confident40 Ų4033.6 Ų33.615%0.15117%0.17CC..EExtended strand (participates in β ladder)trans-108.6123.5-176.1-69.9-175.4175.984.21.3110.9M255 V282 S284 D286 V288 L299 H302M255-R290 HydrophobicContact CE-CB 4.29Å; V282-R290 PolarHBondContact N-O 2.93Å; V282-R290 PolarHBondContact O-N 2.59Å; S284-R290 PolarHBondContact OG-NH1 3.06Å; D286-R290 IonicContact OD1-NH1 2.67Å; D286-R290 PolarHBondContact OD1-NH1 3.36Å; D286-R290 VanDerWaalsContact OD1-NH1 3.16Å; D286-R290 IonicContact OD2-CZ 3.99Å; D286-R290 IonicContact OD2-NH1 2.63Å; D286-R290 PolarHBondContact OD2-NH1 2.96Å; D286-R290 IonicContact OD2-NH2 3.41Å; D286-R290 PolarHBondContact OD2-NH2 2.67Å; V288-R290 HydrophobicContact CG1-CG 4.04Å; R290-L299 HydrophobicContact CB-CD1 3.74Å; R290-L299 HydrophobicContact CG-CD1 4.23Å; R290-H302 HydrophobicContact CG-CB 4.15Å
291F89.4Confident87.4Confident0 Ų034.6 Ų34.60%017%0.174CC..EExtended strand (participates in β ladder)trans-98.9115.4-178-67.5-82.7000110.8L268 T279 L280 M289 L300 F301 M303 I322L268-F291 HydrophobicContact CD1-CD1 3.58Å; L268-F291 HydrophobicContact CD1-CE1 3.69Å; L268-F291 HydrophobicContact CD1-CG 4.38Å; L268-F291 HydrophobicContact CD2-CD1 4.38Å; L268-F291 HydrophobicContact CD2-CE1 3.7Å; L268-F291 HydrophobicContact CD2-CZ 4.41Å; L268-F291 HydrophobicContact CG-CD1 3.93Å; L268-F291 HydrophobicContact CG-CE1 3.76Å; T279-F291 HydrophobicContact CG2-CB 4.16Å; T279-F291 HydrophobicContact CG2-CD1 4.35Å; L280-F291 WeakPolarHBondContact O-CA 3.36Å; M289-F291 HydrophobicContact CB-CE2 4.41Å; M289-F291 HydrophobicContact CG-CD2 4.25Å; M289-F291 HydrophobicContact CG-CE1 4.2Å; M289-F291 HydrophobicContact CG-CE2 3.48Å; M289-F291 VanDerWaalsContact CG-CE2 3.48Å; M289-F291 HydrophobicContact CG-CZ 3.46Å; M289-F291 VanDerWaalsContact CG-CZ 3.46Å; M289-F291 HydrophobicContact SD-CZ 4.31Å; F291-L300 PolarHBondContact O-N 3.4Å; F291-F301 HydrophobicContact CB-CD1 3.95Å; F291-F301 HydrophobicContact CB-CD2 4.42Å; F291-F301 HydrophobicContact CB-CE1 3.48Å; F291-F301 VanDerWaalsContact CB-CE1 3.48Å; F291-F301 HydrophobicContact CB-CE2 4.05Å; F291-F301 HydrophobicContact CB-CG 4.37Å; F291-F301 HydrophobicContact CB-CZ 3.55Å; F291-F301 HydrophobicContact CD1-CZ 4.05Å; F291-F301 AromaticContact CD2-CD2 3.7Å; F291-F301 HydrophobicContact CD2-CD2 3.7Å; F291-F301 HydrophobicContact CD2-CE1 4.14Å; F291-F301 AromaticContact CD2-CE2 3.08Å; F291-F301 HydrophobicContact CD2-CE2 3.08Å; F291-F301 HydrophobicContact CD2-CG 4.44Å; F291-F301 AromaticContact CD2-CZ 3.34Å; F291-F301 HydrophobicContact CD2-CZ 3.34Å; F291-F301 HydrophobicContact CE2-CD2 4.39Å; F291-F301 AromaticContact CE2-CE2 3.56Å; F291-F301 HydrophobicContact CE2-CE2 3.56Å; F291-F301 AromaticContact CE2-CZ 3.98Å; F291-F301 HydrophobicContact CE2-CZ 3.98Å; F291-F301 HydrophobicContact CG-CD2 4.37Å; F291-F301 AromaticContact CG-CE1 3.87Å; F291-F301 HydrophobicContact CG-CE1 3.87Å; F291-F301 AromaticContact CG-CE2 3.66Å; F291-F301 HydrophobicContact CG-CE2 3.66Å; F291-F301 AromaticContact CG-CZ 3.35Å; F291-F301 HydrophobicContact CG-CZ 3.35Å; F291-F301 HydrophobicContact CZ-CE2 4.48Å; F291-F301 PolarHBondContact N-O 3.25Å; F291-M303 HydrophobicContact CE2-CB 4.13Å; F291-M303 HydrophobicContact CE2-CE 4.46Å; F291-M303 HydrophobicContact CZ-CE 4.49Å; F291-I322 HydrophobicContact CZ-CD1 4.14Å
292I89.6Confident87.1Confident6 Ų640.1 Ų40.13%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-113.5145.6-178.362.4169.2000110.8L239 I253 M255 T279 L280 V282 K298 L299L239-I292 HydrophobicContact CD1-CD1 3.97Å; I253-I292 HydrophobicContact CD1-CD1 4.26Å; I253-I292 HydrophobicContact CG2-CD1 4.08Å; M255-I292 HydrophobicContact CE-CG2 4.19Å; M255-I292 HydrophobicContact SD-CD1 4.01Å; M255-I292 HydrophobicContact SD-CG2 4.31Å; T279-I292 WeakPolarHBondContact CA-O 3.48Å; L280-I292 HydrophobicContact CB-CG1 4.1Å; L280-I292 HydrophobicContact CD2-CD1 4.42Å; L280-I292 PolarHBondContact N-O 3.17Å; L280-I292 WeakPolarHBondContact O-CG1 3.27Å; L280-I292 PolarHBondContact O-N 2.78Å; V282-I292 HydrophobicContact CG2-CD1 4.01Å; V282-I292 HydrophobicContact CG2-CG1 4.07Å; I292-K298 WeakPolarHBondContact CA-O 3.43Å; I292-L299 HydrophobicContact CG2-CD1 4.05Å
293N86.9Confident86.7Confident19 Ų1940.3 Ų40.310%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-89121.1168.7171-79.5000109.7Q278 H295 T296 C297 K298 L300Q278-N293 VanDerWaalsContact CB-ND2 3.33Å; Q278-N293 WeakPolarHBondContact CB-ND2 3.38Å; Q278-N293 WeakPolarHBondContact O-CA 3.26Å; Q278-N293 PolarHBondContact OE1-ND2 2.97Å; N293-H295 VanDerWaalsContact C-N 3.3Å; N293-H295 PolarHBondContact O-N 2.89Å; N293-H295 PolarHBondContact OD1-N 3.33Å; N293-T296 WeakPolarHBondContact CB-OG1 3.29Å; N293-T296 WeakPolarHBondContact OD1-CB 3.38Å; N293-T296 WeakPolarHBondContact OD1-CG2 3.35Å; N293-T296 PolarHBondContact OD1-N 2.95Å; N293-T296 PolarHBondContact OD1-OG1 3.3Å; N293-C297 VanDerWaalsContact O-CA 3.27Å; N293-C297 WeakPolarHBondContact O-CA 3.4Å; N293-C297 PolarHBondContact O-N 2.83Å; N293-K298 PolarHBondContact N-O 2.87Å; N293-L300 HydrophobicContact CB-CD1 4.21Å; N293-L300 HydrophobicContact CB-CD2 4.07Å; N293-L300 HydrophobicContact CB-CG 4.26Å
294I85.8Confident85.9Confident6 Ų641.2 Ų41.23%0.03121%0.21CC..THydrogen-bonded Turntrans-66.3-27.2-171.968.1-173.6000114.2L241 R251 I253 F267 Q278 L280L241-I294 HydrophobicContact CD2-CB 4.08Å; L241-I294 HydrophobicContact CD2-CD1 4.32Å; L241-I294 HydrophobicContact CD2-CG1 4.46Å; R251-I294 PolarHBondContact NH1-O 3.15Å; I253-I294 HydrophobicContact CD1-CB 4.41Å; F267-I294 HydrophobicContact CE1-CD1 4.15Å; F267-I294 HydrophobicContact CE1-CG2 4Å; Q278-I294 HydrophobicContact CB-CG1 4.22Å; Q278-I294 WeakPolarHBondContact O-CG1 3.19Å; Q278-I294 PolarHBondContact O-N 3.06Å; L280-I294 HydrophobicContact CB-CG2 3.85Å; L280-I294 HydrophobicContact CD2-CG2 4.35Å
295H82.4Confident85.2Confident114 Ų11443.5 Ų43.553%0.52823%0.226SC..THydrogen-bonded Turntrans-80.9-41-178-81.378.6000112.5R251 Q278 N293R251-H295 PolarHBondContact NH1-O 2.61Å; Q278-H295 VanDerWaalsContact CD-ND1 3.29Å; N293-H295 VanDerWaalsContact C-N 3.3Å; N293-H295 PolarHBondContact O-N 2.89Å; N293-H295 PolarHBondContact OD1-N 3.33Å
296T81.6Confident84.4Confident80 Ų8046.2 Ų46.249%0.49125%0.246SC..THydrogen-bonded Turntrans-92.7-15.4-179.461.50000113.4N293 K298N293-T296 WeakPolarHBondContact CB-OG1 3.29Å; N293-T296 WeakPolarHBondContact OD1-CB 3.38Å; N293-T296 WeakPolarHBondContact OD1-CG2 3.35Å; N293-T296 PolarHBondContact OD1-N 2.95Å; N293-T296 PolarHBondContact OD1-OG1 3.3Å; T296-K298 PolarHBondContact O-N 3.26Å; T296-K298 PolarHBondContact OG1-N 2.9Å
297C83.2Confident83.7Confident53 Ų5351.4 Ų51.436%0.35827%0.273SS..  trans55.122.8-172-60.80000114.5R251 I253 N293R251-C297 WeakPolarHBondContact CD-SG 3.18Å; R251-C297 PolarHBondContact NH1-SG 3.46Å; I253-C297 HydrophobicContact CG2-CB 4.4Å; N293-C297 VanDerWaalsContact O-CA 3.27Å; N293-C297 WeakPolarHBondContact O-CA 3.4Å; N293-C297 PolarHBondContact O-N 2.83Å
298K83.4Confident83.2Confident144 Ų14455.5 Ų55.563%0.62629%0.293SS*.  trans-89.3139.9175.6-66.8-176.2178-177.10110.9I292 N293 T296I292-K298 WeakPolarHBondContact CA-O 3.43Å; N293-K298 PolarHBondContact N-O 2.87Å; T296-K298 PolarHBondContact O-N 3.26Å; T296-K298 PolarHBondContact OG1-N 2.9Å
299L85.4Confident83Confident89 Ų8956.1 Ų56.147%0.46630%0.298SS..EExtended strand (participates in β ladder)trans-65.6128.5159.8-175.570.2000108.5R290 I292 F301R290-L299 HydrophobicContact CB-CD1 3.74Å; R290-L299 HydrophobicContact CG-CD1 4.23Å; I292-L299 HydrophobicContact CG2-CD1 4.05Å; L299-F301 WeakPolarHBondContact CD1-O 3.32Å
300L82.3Confident83Confident60 Ų6056.1 Ų56.131%0.31430%0.298SS..EExtended strand (participates in β ladder)trans-91.8-56.9175.9-56.6-177.9000109.7T279 F291 N293 L343T279-L300 HydrophobicContact CG2-CD1 3.9Å; F291-L300 PolarHBondContact O-N 3.4Å; N293-L300 HydrophobicContact CB-CD1 4.21Å; N293-L300 HydrophobicContact CB-CD2 4.07Å; N293-L300 HydrophobicContact CB-CG 4.26Å; L300-L343 HydrophobicContact CB-CD2 4.02Å; L300-L343 WeakPolarHBondContact O-CD2 3.33Å
301F82.2Confident83Confident23 Ų2357.1 Ų57.110%0.10131%0.309CS..EExtended strand (participates in β ladder)trans-157.1177.6-179.464-77.6000110.1L268 F272 F291 L299 L339 L343L268-F301 HydrophobicContact CD1-CZ 4.17Å; F272-F301 AromaticContact CE1-CE1 3.74Å; F272-F301 HydrophobicContact CE1-CE1 3.74Å; F272-F301 HydrophobicContact CE1-CZ 4.1Å; F272-F301 HydrophobicContact CE2-CE1 4.47Å; F272-F301 HydrophobicContact CE2-CZ 4.14Å; F272-F301 HydrophobicContact CZ-CD1 4.49Å; F272-F301 AromaticContact CZ-CE1 3.35Å; F272-F301 HydrophobicContact CZ-CE1 3.35Å; F272-F301 AromaticContact CZ-CZ 3.4Å; F272-F301 HydrophobicContact CZ-CZ 3.4Å; F291-F301 HydrophobicContact CB-CD1 3.95Å; F291-F301 HydrophobicContact CB-CD2 4.42Å; F291-F301 HydrophobicContact CB-CE1 3.48Å; F291-F301 VanDerWaalsContact CB-CE1 3.48Å; F291-F301 HydrophobicContact CB-CE2 4.05Å; F291-F301 HydrophobicContact CB-CG 4.37Å; F291-F301 HydrophobicContact CB-CZ 3.55Å; F291-F301 HydrophobicContact CD1-CZ 4.05Å; F291-F301 AromaticContact CD2-CD2 3.7Å; F291-F301 HydrophobicContact CD2-CD2 3.7Å; F291-F301 HydrophobicContact CD2-CE1 4.14Å; F291-F301 AromaticContact CD2-CE2 3.08Å; F291-F301 HydrophobicContact CD2-CE2 3.08Å; F291-F301 HydrophobicContact CD2-CG 4.44Å; F291-F301 AromaticContact CD2-CZ 3.34Å; F291-F301 HydrophobicContact CD2-CZ 3.34Å; F291-F301 HydrophobicContact CE2-CD2 4.39Å; F291-F301 AromaticContact CE2-CE2 3.56Å; F291-F301 HydrophobicContact CE2-CE2 3.56Å; F291-F301 AromaticContact CE2-CZ 3.98Å; F291-F301 HydrophobicContact CE2-CZ 3.98Å; F291-F301 HydrophobicContact CG-CD2 4.37Å; F291-F301 AromaticContact CG-CE1 3.87Å; F291-F301 HydrophobicContact CG-CE1 3.87Å; F291-F301 AromaticContact CG-CE2 3.66Å; F291-F301 HydrophobicContact CG-CE2 3.66Å; F291-F301 AromaticContact CG-CZ 3.35Å; F291-F301 HydrophobicContact CG-CZ 3.35Å; F291-F301 HydrophobicContact CZ-CE2 4.48Å; F291-F301 PolarHBondContact N-O 3.25Å; L299-F301 WeakPolarHBondContact CD1-O 3.32Å; F301-L339 HydrophobicContact CD2-CB 4.23Å; F301-L339 HydrophobicContact CD2-CD2 4.26Å; F301-L339 HydrophobicContact CE2-CB 3.89Å; F301-L339 HydrophobicContact CE2-CD1 4.07Å; F301-L339 HydrophobicContact CE2-CD2 4.32Å; F301-L339 HydrophobicContact CE2-CG 4.32Å; F301-L339 HydrophobicContact CZ-CB 4.42Å; F301-L343 HydrophobicContact CD1-CD1 4.49Å; F301-L343 HydrophobicContact CD1-CD2 4.32Å
302H84.6Confident83Confident115 Ų11558.2 Ų58.253%0.53232%0.318SS..EExtended strand (participates in β ladder)trans-140.8163.4175.563.8-71.7000111V288 M289 R290V288-H302 HydrophobicContact CG1-CB 3.87Å; M289-H302 CarbonylContact O-C 3.54Å; M289-H302 VanDerWaalsContact O-CA 3.26Å; M289-H302 WeakPolarHBondContact O-CA 3.44Å; R290-H302 HydrophobicContact CG-CB 4.15Å
303M84.9Confident83.1Confident5 Ų558.3 Ų58.33%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-140.7137.8-174.8-179.8-178.476.900109.1M289 F291 I310 V313 I322 A324 Y334 L339M289-M303 HydrophobicContact CB-CB 4.35Å; M289-M303 HydrophobicContact CB-CE 3.95Å; M289-M303 HydrophobicContact CG-CE 3.98Å; M289-M303 PolarHBondContact N-O 3.41Å; M289-M303 PolarHBondContact O-N 2.85Å; F291-M303 HydrophobicContact CE2-CB 4.13Å; F291-M303 HydrophobicContact CE2-CE 4.46Å; F291-M303 HydrophobicContact CZ-CE 4.49Å; M303-I310 HydrophobicContact CE-CD1 3.92Å; M303-I310 HydrophobicContact CG-CD1 4.21Å; M303-I310 WeakPolarHBondContact O-CD1 3.24Å; M303-V313 HydrophobicContact CE-CG2 4.22Å; M303-I322 HydrophobicContact CE-CG2 3.96Å; M303-I322 HydrophobicContact SD-CG2 4.3Å; M303-A324 HydrophobicContact CE-CB 4.19Å; M303-Y334 HydrophobicContact CG-CD1 4.04Å; M303-Y334 HydrophobicContact CG-CD2 4.26Å; M303-Y334 HydrophobicContact CG-CE1 3.73Å; M303-Y334 HydrophobicContact CG-CE2 3.99Å; M303-Y334 HydrophobicContact CG-CG 4.29Å; M303-Y334 HydrophobicContact SD-CD1 3.95Å; M303-Y334 HydrophobicContact SD-CD2 3.48Å; M303-Y334 WeakPolarHBondContact SD-CD2 3.46Å; M303-Y334 HydrophobicContact SD-CE1 4.16Å; M303-Y334 HydrophobicContact SD-CE2 3.73Å; M303-Y334 HydrophobicContact SD-CG 3.61Å; M303-L339 HydrophobicContact SD-CD1 4.45Å
304G75.9Confident83.3Confident18 Ų1858 Ų5819%0.18632%0.319CS..  trans84.5155.6-169.100000112.8
305S76.1Confident83.5Confident48 Ų4858.3 Ų58.334%0.33632%0.321SS..  trans-114.6-175.2174.871.40000110.1D307 E308S305-D307 VanDerWaalsContact C-N 3.33Å; S305-D307 PolarHBondContact OG-N 2.93Å; S305-E308 PolarHBondContact OG-N 3.27Å
306V73.3Confident83.7Confident109 Ų10952.9 Ų52.966%0.66130%0.296SS*.SBendtrans-76.4-27.8171.5-178.90000111
307D73.1Confident83.9Confident145 Ų14551 Ų5178%0.77529%0.285SS*.SBendtrans-88.5-22.5-177.7-45.4-72.1000112.9S305S305-D307 VanDerWaalsContact C-N 3.33Å; S305-D307 PolarHBondContact OG-N 2.93Å
308E76Confident83.8Confident86 Ų8649.9 Ų49.940%0.40228%0.276SS..SBendtrans-116.377.2167.8-66.8-158.9166.300109.8S305 M326 N332S305-E308 PolarHBondContact OG-N 3.27Å; E308-M326 HydrophobicContact CB-CE 3.68Å; E308-M326 VanDerWaalsContact O-CE 3.28Å; E308-M326 WeakPolarHBondContact O-CE 3.28Å; E308-N332 PolarHBondContact OE2-ND2 3.01Å
309A86.3Confident83.7Confident18 Ų1843.3 Ų43.315%0.14925%0.248CC..  trans-76.7125.6-172.500000112.5D327A309-D327 HydrophobicContact CB-CB 4.32Å; A309-D327 WeakPolarHBondContact O-CB 3.45Å; A309-D327 PolarHBondContact O-N 3.43Å
310I91.4Very high83.5Confident0 Ų044.8 Ų44.80%025%0.248CC..EExtended strand (participates in β ladder)trans-78.3132177.4-56.9170.5000110.7R263 L283 G287 M289 M303 A312 V313 A324 M326R263-I310 PolarHBondContact NH1-O 2.89Å; L283-I310 HydrophobicContact CD1-CB 3.93Å; L283-I310 HydrophobicContact CD1-CG2 4.08Å; L283-I310 HydrophobicContact CD2-CG2 4.2Å; G287-I310 WeakPolarHBondContact O-CB 3.43Å; G287-I310 WeakPolarHBondContact O-CG1 3.36Å; G287-I310 PolarHBondContact O-N 3.44Å; M289-I310 HydrophobicContact CB-CD1 4.25Å; M303-I310 HydrophobicContact CE-CD1 3.92Å; M303-I310 HydrophobicContact CG-CD1 4.21Å; M303-I310 WeakPolarHBondContact O-CD1 3.24Å; I310-A312 WeakPolarHBondContact CG2-O 3.14Å; I310-V313 HydrophobicContact CG2-CG2 3.58Å; I310-A324 HydrophobicContact CD1-CB 4.09Å; I310-A324 HydrophobicContact CG1-CB 4.24Å; I310-A324 HydrophobicContact CG2-CB 3.96Å; I310-M326 HydrophobicContact CG1-CE 3.78Å; I310-M326 HydrophobicContact CG1-SD 4Å
311T89.5Confident83.7Confident62 Ų6243.2 Ų43.238%0.3824%0.239SC..EExtended strand (participates in β ladder)trans-96.1-44.5179.360.80000112.4I325 D327T311-I325 PolarHBondContact N-O 3.24Å; T311-I325 PolarHBondContact OG1-O 3.33Å; T311-D327 HydrophobicContact CG2-CB 4.09Å
312A89.4Confident84.1Confident23 Ų2342.1 Ų42.119%0.1923%0.234CC..EExtended strand (participates in β ladder)trans-148.6156.8178.900000110.6I310 I325I310-A312 WeakPolarHBondContact CG2-O 3.14Å; A312-I325 HydrophobicContact CB-CD1 4.37Å; A312-I325 PolarHBondContact O-N 2.96Å
313V92.4Very high84.4Confident8 Ų836.7 Ų36.75%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-130.8158176.7176.60000110Q264 M289 M303 I310 V315 I322 A323 A324Q264-V313 PolarHBondContact NE2-O 3.03Å; Q264-V313 VanDerWaalsContact OE1-N 3.07Å; Q264-V313 PolarHBondContact OE1-O 3.48Å; M289-V313 HydrophobicContact CE-CB 3.87Å; M289-V313 HydrophobicContact CE-CG1 3.99Å; M289-V313 HydrophobicContact CE-CG2 3.81Å; M303-V313 HydrophobicContact CE-CG2 4.22Å; I310-V313 HydrophobicContact CG2-CG2 3.58Å; V313-V315 HydrophobicContact CG1-CG2 4.45Å; V313-I322 HydrophobicContact CG1-CG2 3.55Å; V313-A323 CarbonylContact C-O 3.52Å; V313-A323 WeakPolarHBondContact CA-O 3.22Å; V313-A324 HydrophobicContact CG2-CB 4.16Å
314A91.3Very high84.7Confident11 Ų1136.4 Ų36.49%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-139.3149.3151.400000110.1V49 F51 A323V49-A314 HydrophobicContact CG1-CB 3.79Å; F51-A314 HydrophobicContact CD2-CB 3.88Å; F51-A314 HydrophobicContact CE2-CB 4.22Å; F51-A314 WeakPolarHBondContact CE2-O 3.43Å; A314-A323 PolarHBondContact N-O 3.36Å; A314-A323 PolarHBondContact O-N 2.95Å
315V89.5Confident85.4Confident14 Ų1435.6 Ų35.69%0.08520%0.199CC..EExtended strand (participates in β ladder)trans-109.1131.4175.9-179.40000109.1E266 L268 P269 V313 I322E266-V315 HydrophobicContact CG-CB 4.3Å; E266-V315 HydrophobicContact CG-CG2 3.88Å; E266-V315 WeakPolarHBondContact OE1-CB 3.5Å; E266-V315 PolarHBondContact OE1-N 3.37Å; L268-V315 HydrophobicContact CD2-CB 4.45Å; L268-V315 HydrophobicContact CD2-CG1 3.81Å; L268-V315 HydrophobicContact CD2-CG2 3.74Å; P269-V315 HydrophobicContact CG-CG1 4.26Å; V313-V315 HydrophobicContact CG1-CG2 4.45Å; V315-I322 HydrophobicContact CG1-CG1 4.39Å; V315-I322 HydrophobicContact CG2-CG1 4.26Å; V315-I322 HydrophobicContact CG2-CG2 4.16Å
316G86.9Confident86.1Confident0 Ų033.5 Ų33.50%018%0.184CC..  trans-63.2138.1176.500000111.5N318 G319 H321G316-N318 PolarHBondContact O-N 3.44Å; G316-G319 WeakPolarHBondContact O-CA 3.44Å; G316-G319 PolarHBondContact O-N 3.07Å; G316-H321 PolarHBondContact N-O 2.89Å
317P84.3Confident86.7Confident40 Ų4032 Ų3226%0.2617%0.172SC..THydrogen-bonded Turntrans-59.6-10.8179.9-29.537.4000116.2D52 R225D52-P317 WeakPolarHBondContact O-CD 3.39Å; D52-P317 WeakPolarHBondContact O-CG 3.5Å; R225-P317 PolarHBondContact NH1-O 2.92Å; R225-P317 PolarHBondContact NH2-O 3.17Å
318N81.7Confident87.2Confident30 Ų3027.6 Ų27.616%0.1615%0.153CC..THydrogen-bonded Turntrans-90.9-3.117164.817.1000114.2T54 G55 D56 S271 G316 R320T54-N318 VanDerWaalsContact O-CB 3.25Å; T54-N318 WeakPolarHBondContact O-CB 3.42Å; T54-N318 VanDerWaalsContact O-CG 3.26Å; T54-N318 PolarHBondContact O-ND2 2.93Å; G55-N318 VanDerWaalsContact C-ND2 3.26Å; G55-N318 PolarHBondContact O-ND2 3.46Å; D56-N318 PolarHBondContact OD1-ND2 3.42Å; S271-N318 WeakPolarHBondContact CB-O 3.46Å; S271-N318 PolarHBondContact OG-O 3.35Å; G316-N318 PolarHBondContact O-N 3.44Å; N318-R320 HydrophobicContact CB-CG 4.36Å; N318-R320 PolarHBondContact O-N 3.23Å; N318-R320 WeakPolarHBondContact OD1-CB 3.31Å; N318-R320 PolarHBondContact OD1-N 3.46Å
319G80.6Confident87.6Confident5 Ų523.7 Ų23.75%0.05214%0.135CC..SBendtrans62.612.1-177.400000115.8S271 G316 A336S271-G319 VanDerWaalsContact OG-CA 3.31Å; S271-G319 WeakPolarHBondContact OG-CA 3.15Å; G316-G319 WeakPolarHBondContact O-CA 3.44Å; G316-G319 PolarHBondContact O-N 3.07Å; G319-A336 WeakPolarHBondContact O-CB 3.33Å
320R82.5Confident87.7Confident120 Ų12023.5 Ų23.545%0.45313%0.133SC..SBendtrans-82.2-40179.5-64.1179.9178.2153.8-4.7112.9D56 N318 A336D56-R320 IonicContact OD1-NH1 2.72Å; D56-R320 PolarHBondContact OD1-NH1 3.27Å; D56-R320 IonicContact OD2-NH1 2.87Å; D56-R320 PolarHBondContact OD2-NH1 3.35Å; N318-R320 HydrophobicContact CB-CG 4.36Å; N318-R320 PolarHBondContact O-N 3.23Å; N318-R320 WeakPolarHBondContact OD1-CB 3.31Å; N318-R320 PolarHBondContact OD1-N 3.46Å; R320-A336 WeakPolarHBondContact O-CB 3.34Å; R320-A336 PolarHBondContact O-N 3Å
321H86.6Confident87.6Confident28 Ų2823.5 Ų23.513%0.1313%0.133CC..EExtended strand (participates in β ladder)trans-122.6141.4-169.9-63.2-52.5000111.4F51 I72 G316F51-H321 HydrophobicContact CE1-CB 4.07Å; F51-H321 HydrophobicContact CZ-CB 4.07Å; I72-H321 HydrophobicContact CD1-CB 4.21Å; G316-H321 PolarHBondContact N-O 2.89Å
322I89.6Confident87.6Confident0 Ų020.7 Ų20.70%012%0.115CC..EExtended strand (participates in β ladder)trans-126.2126.6173.2-51.8177.7000106.7L268 F291 M303 V313 V315 I333 Y334 L339L268-I322 HydrophobicContact CD2-CD1 3.84Å; F291-I322 HydrophobicContact CZ-CD1 4.14Å; M303-I322 HydrophobicContact CE-CG2 3.96Å; M303-I322 HydrophobicContact SD-CG2 4.3Å; V313-I322 HydrophobicContact CG1-CG2 3.55Å; V315-I322 HydrophobicContact CG1-CG1 4.39Å; V315-I322 HydrophobicContact CG2-CG1 4.26Å; V315-I322 HydrophobicContact CG2-CG2 4.16Å; I322-I333 WeakPolarHBondContact O-CA 3.38Å; I322-Y334 PolarHBondContact N-O 2.81Å; I322-Y334 VanDerWaalsContact N-O 3.14Å; I322-Y334 PolarHBondContact O-N 3.42Å; I322-L339 HydrophobicContact CD1-CD1 4.27Å
323A91.3Very high87.6Confident0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans-105.8122.4174.300000108.9V49 F51 V313 A314 I331V49-A323 HydrophobicContact CG1-CB 4.33Å; V49-A323 HydrophobicContact CG2-CB 4.12Å; F51-A323 HydrophobicContact CE2-CB 3.7Å; F51-A323 HydrophobicContact CZ-CB 3.92Å; V313-A323 CarbonylContact C-O 3.52Å; V313-A323 WeakPolarHBondContact CA-O 3.22Å; A314-A323 PolarHBondContact N-O 3.36Å; A314-A323 PolarHBondContact O-N 2.95Å; A323-I331 HydrophobicContact CB-CG2 4.12Å
324A91.3Very high87.3Confident0 Ų019.6 Ų19.60%011%0.106CC..EExtended strand (participates in β ladder)trans-113134.3175.400000109.9M303 I310 V313 M326 I331 N332 Y334M303-A324 HydrophobicContact CE-CB 4.19Å; I310-A324 HydrophobicContact CD1-CB 4.09Å; I310-A324 HydrophobicContact CG1-CB 4.24Å; I310-A324 HydrophobicContact CG2-CB 3.96Å; V313-A324 HydrophobicContact CG2-CB 4.16Å; A324-M326 HydrophobicContact CB-SD 4.13Å; A324-I331 CarbonylContact O-C 3.57Å; A324-I331 WeakPolarHBondContact O-CA 3.46Å; A324-N332 PolarHBondContact N-O 2.83Å; A324-N332 PolarHBondContact O-N 2.84Å; A324-Y334 HydrophobicContact CB-CD2 4.48Å; A324-Y334 HydrophobicContact CB-CE2 3.93Å
325I91.4Very high86.9Confident1 Ų119.6 Ų19.61%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-94.5120.1173.5-50.9-176000108F46 L47 V49 T311 A312 S330 I331F46-I325 HydrophobicContact CB-CG2 4.4Å; F46-I325 WeakPolarHBondContact O-CG2 3.33Å; L47-I325 VanDerWaalsContact C-CD1 3.47Å; L47-I325 WeakPolarHBondContact O-CD1 3.49Å; V49-I325 HydrophobicContact CB-CD1 4.1Å; V49-I325 HydrophobicContact CB-CG1 4.43Å; V49-I325 HydrophobicContact CG1-CD1 4.15Å; V49-I325 HydrophobicContact CG1-CG1 4.21Å; T311-I325 PolarHBondContact N-O 3.24Å; T311-I325 PolarHBondContact OG1-O 3.33Å; A312-I325 HydrophobicContact CB-CD1 4.37Å; A312-I325 PolarHBondContact O-N 2.96Å; I325-S330 WeakPolarHBondContact CA-O 3.26Å; I325-I331 HydrophobicContact CG1-CG1 4.37Å
326M89.8Confident86.3Confident3 Ų319 Ų192%0.01510%0.102CC..EExtended strand (participates in β ladder)trans-84.8159.4-178.5-43-49.3-73.600110.4E308 I310 A324 S328 G329 S330 N332E308-M326 HydrophobicContact CB-CE 3.68Å; E308-M326 VanDerWaalsContact O-CE 3.28Å; E308-M326 WeakPolarHBondContact O-CE 3.28Å; I310-M326 HydrophobicContact CG1-CE 3.78Å; I310-M326 HydrophobicContact CG1-SD 4Å; A324-M326 HydrophobicContact CB-SD 4.13Å; M326-S328 VanDerWaalsContact C-N 3.27Å; M326-S328 PolarHBondContact O-N 3.35Å; M326-G329 WeakPolarHBondContact O-CA 3.38Å; M326-G329 PolarHBondContact O-N 3.31Å; M326-S330 WeakPolarHBondContact CG-OG 3.26Å; M326-S330 PolarHBondContact N-O 3.22Å; M326-N332 HydrophobicContact CG-CB 4.4Å; M326-N332 HydrophobicContact SD-CB 4Å
327D86.3Confident85.7Confident79 Ų7925.4 Ų25.442%0.42213%0.131SC..THydrogen-bonded Turntrans-61.1-31.9176.263-15.8000114A309 T311 G329A309-D327 HydrophobicContact CB-CB 4.32Å; A309-D327 WeakPolarHBondContact O-CB 3.45Å; A309-D327 PolarHBondContact O-N 3.43Å; T311-D327 HydrophobicContact CG2-CB 4.09Å; D327-G329 PolarHBondContact O-N 2.86Å
328S83.1Confident85Confident52 Ų5224 Ų2436%0.36412%0.122SC..THydrogen-bonded Turntrans-59-19.1167.269.60000113.5M326 S330M326-S328 VanDerWaalsContact C-N 3.27Å; M326-S328 PolarHBondContact O-N 3.35Å; S328-S330 PolarHBondContact OG-OG 3.04Å
329G83.6Confident84.5Confident3 Ų323 Ų233%0.03112%0.117CC..SBendtrans89.87.7-178.700000115.1F46 M326 D327F46-G329 WeakPolarHBondContact CD2-O 3.29Å; F46-G329 PolarHBondContact N-O 3.38Å; M326-G329 WeakPolarHBondContact O-CA 3.38Å; M326-G329 PolarHBondContact O-N 3.31Å; D327-G329 PolarHBondContact O-N 2.86Å
330S88.6Confident83.6Confident15 Ų1524.5 Ų24.511%0.10513%0.126CC..  trans-76.4165.8169.4630000112L32 I325 M326 S328L32-S330 CarbonylContact O-C 3.57Å; L32-S330 VanDerWaalsContact O-CA 3.24Å; L32-S330 WeakPolarHBondContact O-CA 3.42Å; L32-S330 VanDerWaalsContact O-CB 3.25Å; L32-S330 WeakPolarHBondContact O-CB 3.36Å; I325-S330 WeakPolarHBondContact CA-O 3.26Å; M326-S330 WeakPolarHBondContact CG-OG 3.26Å; M326-S330 PolarHBondContact N-O 3.22Å; S328-S330 PolarHBondContact OG-OG 3.04Å
331I90.3Very high82.4Confident0 Ų024.8 Ų24.80%013%0.132CC..EExtended strand (participates in β ladder)trans-115.5114.6170.3-54.8178.6000109L32 F46 F58 A60 A323 A324 I325L32-I331 HydrophobicContact CB-CB 4.3Å; L32-I331 PolarHBondContact N-O 3.24Å; L32-I331 PolarHBondContact O-N 2.86Å; F46-I331 HydrophobicContact CB-CD1 3.86Å; F46-I331 HydrophobicContact CB-CG1 3.9Å; F46-I331 HydrophobicContact CD1-CD1 4.03Å; F46-I331 HydrophobicContact CD2-CD1 3.83Å; F46-I331 HydrophobicContact CD2-CG1 3.77Å; F46-I331 HydrophobicContact CE2-CD1 4.4Å; F46-I331 HydrophobicContact CG-CD1 3.63Å; F46-I331 HydrophobicContact CG-CG1 3.9Å; F58-I331 HydrophobicContact CE2-CD1 4.38Å; A60-I331 HydrophobicContact CB-CD1 3.39Å; A323-I331 HydrophobicContact CB-CG2 4.12Å; A324-I331 CarbonylContact O-C 3.57Å; A324-I331 WeakPolarHBondContact O-CA 3.46Å; I325-I331 HydrophobicContact CG1-CG1 4.37Å
332N89.4Confident80.7Confident2 Ų226.4 Ų26.41%0.01114%0.142CC..EExtended strand (participates in β ladder)trans-91.6127.1171.7-76-7.9000109.6M1 V28 L30 E308 A324 M326 Y334M1-N332 WeakPolarHBondContact CE-OD1 3.49Å; V28-N332 HydrophobicContact CG1-CB 4.16Å; L30-N332 WeakPolarHBondContact O-CA 3.43Å; E308-N332 PolarHBondContact OE2-ND2 3.01Å; A324-N332 PolarHBondContact N-O 2.83Å; A324-N332 PolarHBondContact O-N 2.84Å; M326-N332 HydrophobicContact CG-CB 4.4Å; M326-N332 HydrophobicContact SD-CB 4Å; N332-Y334 HydrophobicContact CB-CD2 4.42Å; N332-Y334 HydrophobicContact CB-CE2 3.58Å
333I89Confident78.8Confident3 Ų330 Ų302%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-101.1125.3174.3-50.4179.3000109.1L29 L30 L32 F58 I72 I322L29-I333 WeakPolarHBondContact CB-O 3.48Å; L29-I333 PolarHBondContact N-O 2.85Å; L30-I333 HydrophobicContact CB-CB 4.37Å; L30-I333 HydrophobicContact CD2-CD1 3.82Å; L30-I333 HydrophobicContact CD2-CG1 4.49Å; L30-I333 PolarHBondContact N-O 2.61Å; L30-I333 PolarHBondContact O-N 3.39Å; L32-I333 HydrophobicContact CD1-CD1 4.07Å; F58-I333 HydrophobicContact CE1-CD1 3.66Å; F58-I333 HydrophobicContact CE1-CG1 4.44Å; F58-I333 HydrophobicContact CZ-CD1 3.86Å; F58-I333 HydrophobicContact CZ-CG1 4.45Å; I72-I333 HydrophobicContact CD1-CD1 4.41Å; I72-I333 HydrophobicContact CD1-CG2 4.44Å; I322-I333 WeakPolarHBondContact O-CA 3.38Å
334Y85.9Confident76.5Confident6 Ų637.1 Ų37.12%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-108.4146.5177.6-60.3-98.7000110.9V28 M303 I322 A324 N332V28-Y334 HydrophobicContact CB-CE1 4.31Å; V28-Y334 HydrophobicContact CG2-CD1 4.23Å; V28-Y334 HydrophobicContact CG2-CE1 3.46Å; V28-Y334 VanDerWaalsContact CG2-CE1 3.46Å; M303-Y334 HydrophobicContact CG-CD1 4.04Å; M303-Y334 HydrophobicContact CG-CD2 4.26Å; M303-Y334 HydrophobicContact CG-CE1 3.73Å; M303-Y334 HydrophobicContact CG-CE2 3.99Å; M303-Y334 HydrophobicContact CG-CG 4.29Å; M303-Y334 HydrophobicContact SD-CD1 3.95Å; M303-Y334 HydrophobicContact SD-CD2 3.48Å; M303-Y334 WeakPolarHBondContact SD-CD2 3.46Å; M303-Y334 HydrophobicContact SD-CE1 4.16Å; M303-Y334 HydrophobicContact SD-CE2 3.73Å; M303-Y334 HydrophobicContact SD-CG 3.61Å; I322-Y334 PolarHBondContact N-O 2.81Å; I322-Y334 VanDerWaalsContact N-O 3.14Å; I322-Y334 PolarHBondContact O-N 3.42Å; A324-Y334 HydrophobicContact CB-CD2 4.48Å; A324-Y334 HydrophobicContact CB-CE2 3.93Å; N332-Y334 HydrophobicContact CB-CD2 4.42Å; N332-Y334 HydrophobicContact CB-CE2 3.58Å
335S82.4Confident74.1Confident11 Ų1143 Ų438%0.07722%0.224CC..EExtended strand (participates in β ladder)trans-89119166.9166.40000108.9Q337 S338 L339S335-Q337 PolarHBondContact O-N 2.99Å; S335-Q337 PolarHBondContact OG-N 3.3Å; S335-S338 VanDerWaalsContact CB-OG 3.25Å; S335-S338 WeakPolarHBondContact CB-OG 3.4Å; S335-S338 PolarHBondContact O-N 2.92Å; S335-S338 PolarHBondContact OG-N 2.88Å; S335-S338 VanDerWaalsContact OG-N 3.08Å; S335-S338 PolarHBondContact OG-OG 3.23Å; S335-L339 PolarHBondContact O-N 2.62Å; S335-L339 VanDerWaalsContact O-N 3.16Å
336A77.9Confident71.3Confident2 Ų248.6 Ų48.62%0.01726%0.26CS..Hα-helixtrans-62.8-34.8176.300000111.6F272 G319 R320 S338 L339 T340F272-A336 HydrophobicContact CD2-CB 3.87Å; F272-A336 HydrophobicContact CE2-CB 4Å; G319-A336 WeakPolarHBondContact O-CB 3.33Å; R320-A336 WeakPolarHBondContact O-CB 3.34Å; R320-A336 PolarHBondContact O-N 3Å; A336-S338 VanDerWaalsContact C-N 3.29Å; A336-S338 PolarHBondContact O-N 2.97Å; A336-L339 PolarHBondContact O-N 2.8Å; A336-T340 PolarHBondContact O-N 2.9Å
337Q73.6Confident68.7Low133 Ų13356.4 Ų56.462%0.62130%0.301SS*.Hα-helixtrans-66.1-28.8173.6-65.4-178.7-21.800113.1S335 T340S335-Q337 PolarHBondContact O-N 2.99Å; S335-Q337 PolarHBondContact OG-N 3.3Å; Q337-T340 PolarHBondContact O-OG1 3.05Å; Q337-T340 VanDerWaalsContact O-OG1 3.11Å
338S70.2Confident66.2Low10 Ų1058.2 Ų58.27%0.0732%0.317CS..Hα-helixtrans-83.3-17.7177.4-55.70000112.6P21 H27 S335 A336P21-S338 WeakPolarHBondContact CG-OG 3.27Å; H27-S338 PolarHBondContact CE1-O 3Å; H27-S338 PolarHBondContact ND1-O 3.37Å; S335-S338 VanDerWaalsContact CB-OG 3.25Å; S335-S338 WeakPolarHBondContact CB-OG 3.4Å; S335-S338 PolarHBondContact O-N 2.92Å; S335-S338 PolarHBondContact OG-N 2.88Å; S335-S338 VanDerWaalsContact OG-N 3.08Å; S335-S338 PolarHBondContact OG-OG 3.23Å; A336-S338 VanDerWaalsContact C-N 3.29Å; A336-S338 PolarHBondContact O-N 2.97Å
339L70.8Confident63.6Low9 Ų960.4 Ų60.45%0.04733%0.333CS..Hα-helixtrans-82.4-27.1172-69.7163.4000112.1H27 F301 M303 I322 S335 A336H27-L339 HydrophobicContact CB-CD2 3.66Å; H27-L339 HydrophobicContact CB-CG 4.29Å; F301-L339 HydrophobicContact CD2-CB 4.23Å; F301-L339 HydrophobicContact CD2-CD2 4.26Å; F301-L339 HydrophobicContact CE2-CB 3.89Å; F301-L339 HydrophobicContact CE2-CD1 4.07Å; F301-L339 HydrophobicContact CE2-CD2 4.32Å; F301-L339 HydrophobicContact CE2-CG 4.32Å; F301-L339 HydrophobicContact CZ-CB 4.42Å; M303-L339 HydrophobicContact SD-CD1 4.45Å; I322-L339 HydrophobicContact CD1-CD1 4.27Å; S335-L339 PolarHBondContact O-N 2.62Å; S335-L339 VanDerWaalsContact O-N 3.16Å; A336-L339 PolarHBondContact O-N 2.8Å
340T62.1Low61.5Low38 Ų3872.4 Ų72.423%0.23338%0.377CS..Hα-helixtrans-81.8-25.3177.5520000114.6F272 A336 Q337 D342 L343F272-T340 HydrophobicContact CD2-CG2 4.07Å; F272-T340 HydrophobicContact CE1-CG2 3.91Å; F272-T340 HydrophobicContact CE2-CG2 3.37Å; F272-T340 HydrophobicContact CZ-CG2 3.25Å; A336-T340 PolarHBondContact O-N 2.9Å; Q337-T340 PolarHBondContact O-OG1 3.05Å; Q337-T340 VanDerWaalsContact O-OG1 3.11Å; T340-D342 PolarHBondContact O-N 3.19Å; T340-D342 VanDerWaalsContact O-N 3.16Å; T340-L343 HydrophobicContact CG2-CD1 4.22Å; T340-L343 WeakPolarHBondContact O-CB 3.25Å; T340-L343 PolarHBondContact O-N 2.8Å
341Q57.7Low58.7Low126 Ų12676.5 Ų76.559%0.58940%0.401SS*.G310 helixtrans-60-27.3179.8-76.71791.600113.2N344Q341-N344 PolarHBondContact O-N 2.99Å
342D50.7Low56Low62 Ų6281 Ų8133%0.33244%0.438SS..G310 helixtrans-79.5-15.6177.1-87.251.7000113.9H27 T340 N344 K345H27-D342 IonicContact CE1-OD1 3.29Å; H27-D342 PolarHBondContact CE1-OD1 3.04Å; H27-D342 IonicContact CE1-OD2 3.79Å; T340-D342 PolarHBondContact O-N 3.19Å; T340-D342 VanDerWaalsContact O-N 3.16Å; D342-N344 PolarHBondContact O-N 3.34Å; D342-K345 HydrophobicContact CB-CD 4.47Å; D342-K345 PolarHBondContact O-N 3.15Å; D342-K345 WeakPolarHBondContact OD1-CE 3.43Å; D342-K345 IonicContact OD1-NZ 3.95Å; D342-K345 PolarHBondContact OD1-NZ 2.61Å; D342-K345 WeakPolarHBondContact OD2-CD 3.06Å; D342-K345 WeakPolarHBondContact OD2-CE 3.31Å; D342-K345 IonicContact OD2-NZ 2.9Å; D342-K345 PolarHBondContact OD2-NZ 2.77Å
343L49.3Very low53.2Low76 Ų7686.2 Ų86.240%0.39847%0.47SS..G310 helixtrans-68.1-22.4170.4-60.9172000112.4L300 F301 T340L300-L343 HydrophobicContact CB-CD2 4.02Å; L300-L343 WeakPolarHBondContact O-CD2 3.33Å; F301-L343 HydrophobicContact CD1-CD1 4.49Å; F301-L343 HydrophobicContact CD1-CD2 4.32Å; T340-L343 HydrophobicContact CG2-CD1 4.22Å; T340-L343 WeakPolarHBondContact O-CB 3.25Å; T340-L343 PolarHBondContact O-N 2.8Å
344N42.2Very low50.5Low148 Ų14892.6 Ų92.679%0.79151%0.509SS*.G310 helixtrans-93.3-1.9177.8-70.9-16.9000113.2Q341 D342Q341-N344 PolarHBondContact O-N 2.99Å; D342-N344 PolarHBondContact O-N 3.34Å
345K41.4Very low47.8Very low124 Ų12497.5 Ų97.554%0.53954%0.544SS..SBendtrans-78.6128169.4-68.6177.3-170.81630108.6D342D342-K345 HydrophobicContact CB-CD 4.47Å; D342-K345 PolarHBondContact O-N 3.15Å; D342-K345 WeakPolarHBondContact OD1-CE 3.43Å; D342-K345 IonicContact OD1-NZ 3.95Å; D342-K345 PolarHBondContact OD1-NZ 2.61Å; D342-K345 WeakPolarHBondContact OD2-CD 3.06Å; D342-K345 WeakPolarHBondContact OD2-CE 3.31Å; D342-K345 IonicContact OD2-NZ 2.9Å; D342-K345 PolarHBondContact OD2-NZ 2.77Å
346P33.4Very low45.2Very low118 Ų118100.4 Ų100.477%0.76658%0.575SS**PPolyproline II helixtrans-60.4144168.827.2-33.7000109.2
347L34.5Very low42.8Very low168 Ų168104.3 Ų104.388%0.8862%0.616SS**PPolyproline II helixtrans-51126.8176.4-72.9169.2000109.5S349L347-S349 PolarHBondContact O-N 2.79Å; L347-S349 VanDerWaalsContact O-N 3.12Å
348P34.5Very low40.6Very low116 Ų116101.6 Ų101.675%0.75362%0.624SS**PPolyproline II helixtrans-59.8121.6-176.923.2-33000109.4R350P348-R350 PolarHBondContact O-N 2.81Å; P348-R350 VanDerWaalsContact O-N 3.09Å
349S28.8Very low38.6Very low99 Ų99106.5 Ų106.569%0.69267%0.665SS**PPolyproline II helixtrans-61.7116.3-176.946.90000109.7L347 V351L347-S349 PolarHBondContact O-N 2.79Å; L347-S349 VanDerWaalsContact O-N 3.12Å; S349-V351 PolarHBondContact O-N 3.29Å
350R38.6Very low36.6Very low255 Ų255109.8 Ų109.896%0.96270%0.701SS**SBendtrans-73.147.8169.9-85.5-172.6158.2-161.8-5.7112.1P348P348-R350 PolarHBondContact O-N 2.81Å; P348-R350 VanDerWaalsContact O-N 3.09Å
351V30.8Very low35Very low101 Ų101116.1 Ų116.161%0.61273%0.728SS**SBendtrans-139.5103.6164.8-176.30000105.2S349 V353S349-V351 PolarHBondContact O-N 3.29Å; V351-V353 HydrophobicContact CG1-CG2 4.02Å; V351-V353 PolarHBondContact O-N 2.95Å
352A32.2Very low33.6Very low93 Ų93115.8 Ų115.877%0.76973%0.73SS**  trans-73.794.8170.800000108.2V354A352-V354 PolarHBondContact O-N 3.44Å; A352-V354 VanDerWaalsContact O-N 3.09Å
353V31.5Very low32.5Very low112 Ų112123.1 Ų123.168%0.67976%0.759SS**  trans-74.898.3173.8-177.20000107.9V351 S355V351-V353 HydrophobicContact CG1-CG2 4.02Å; V351-V353 PolarHBondContact O-N 2.95Å; V353-S355 PolarHBondContact O-N 2.66Å
354V32.4Very low31.4Very low137 Ų137123.8 Ų123.883%0.8377%0.771SS**  trans-76.977.6176.2-174.90000109.2A352 G356A352-V354 PolarHBondContact O-N 3.44Å; A352-V354 VanDerWaalsContact O-N 3.09Å; V354-G356 VanDerWaalsContact C-N 3.26Å; V354-G356 PolarHBondContact O-N 3.33Å
355S29.9Very low30.7Very low109 Ų109123.8 Ų123.876%0.76277%0.77SS**  trans-77.375.9170.2-660000110.3V353V353-S355 PolarHBondContact O-N 2.66Å
356G27.8Very low30.1Very low72 Ų72126.1 Ų126.174%0.74279%0.787SS**  trans-78.9132.4170.300000111.7V354V354-G356 VanDerWaalsContact C-N 3.26Å; V354-G356 PolarHBondContact O-N 3.33Å
357G26.8Very low29.6Very low85 Ų85129.2 Ų129.288%0.87679%0.789SS**  trans-175.9103.5174.300000111.3
358G26.2Very low29.1Very low76 Ų76129.7 Ų129.778%0.78479%0.788SS**  trans-172.333.8-167.900000117.1
359A29.5Very low28.6Very low112 Ų112133.6 Ų133.693%0.92679%0.794SS**  trans64.8154.5173.400000118.2
360G28.8Very low28.5Very low79 Ų79135.1 Ų135.181%0.81480%0.798SS**  trans132.3121.5-17700000111.1
361H28.9Very low27.8Very low170 Ų170134.1 Ų134.179%0.78780%0.795SS**  trans-95.2158.9-174.1-122.8-94.1000112.7
362D27.8Very low27.5Very low119 Ų119134.5 Ų134.564%0.63680%0.802SS**  trans55.9120.4159.4-53.2-30.5000119.7
363F28Very low27.1Very low216 Ų216139.2 Ų139.295%0.94781%0.808SS**  -157.9167.498.1-97.8-66.7000110.4
364S26Very low26.9Very low91 Ų91138.5 Ų138.564%0.63681%0.813SS**  trans-110.9158.4-158.663.80000115.1
365N27Very low26.7Very low147 Ų147140.1 Ų140.179%0.78682%0.816SS**  trans62.6123.7161.3-61.1-56.4000119.3
366I28Very low26.6Very low173 Ų173146.1 Ų146.189%0.88782%0.822SS**  -164.6151.5114.2-100.4155.3000110.2
367K24.1Very low26.8Very low184 Ų184148.5 Ų148.580%0.882%0.824SS**  trans-90.8151.4-172.6-69.9175.9177.6173.30113.1
368M23.8Very low26.8Very low177 Ų177149.5 Ų149.587%0.87282%0.824SS**  trans43.8123.2145.6-68.2179.7170.700119.8
369K24.7Very low26.9Very low199 Ų199157.2 Ų157.287%0.86583%0.83SS**  -161.2138.695.7-125166-176.7165.70113.5
370V25.1Very low26.8Very low131 Ų131163.5 Ų163.579%0.79483%0.829SS**  trans-86.3131.8161.7174.50000108.3
371R24.2Very low26.6Very low234 Ų234165.7 Ų165.788%0.88383%0.832SS**  trans-133.8119.7148.4-88.8-166.1168.1-179.9-3.6109.2
372S24.3Very low26.5Very low109 Ų109160.6 Ų160.676%0.76283%0.826SS**  trans-90.1133167.539.40000108.6
373E24.9Very low26.6Very low192 Ų192167.4 Ų167.490%0.89784%0.843SS**  trans-119.3141.5159.2-81.5-174.4166.100108.9
374A25.9Very low26.6Very low96 Ų96160.5 Ų160.579%0.79383%0.832SS**  trans-121.7126.6-168.400000110.4
375I28.8Very low26.7Very low172 Ų172162.7 Ų162.788%0.88284%0.842SS**  trans-114.6111.5168.4-59.5178.5000107.4
376R27.8Very low26.7Very low235 Ų235164.8 Ų164.889%0.88785%0.847SS**PPolyproline II helixtrans-93.7141.4169.3-81-175171-177.1-1.1109.7
377P32.7Very low26.8Very low121 Ų121163 Ų16379%0.78684%0.844SS**PPolyproline II helixtrans-83.7150.5-175.133.6-36.2000113.3
378A26.2Very low27Very low107 Ų107163.4 Ų163.488%0.88485%0.846SS**PPolyproline II helixtrans-77.8148.3166.300000111.6
379R28.4Very low27.3Very low238 Ų238163.1 Ų163.190%0.89885%0.846SS**  trans-109.8140.9179.7-76.4176.8164.9-179.3-4.2112.2
380R27.2Very low27.5Very low243 Ų243160.8 Ų160.892%0.91784%0.842SS**  trans-169.8118132.7-98.2154-169-148.52.4106.5
381S24.8Very low27.6Very low125 Ų125165.9 Ų165.987%0.87485%0.847SS**  84.1114.771.8-175.20000111.7
382G27.3Very low28.1Very low63 Ų63160.2 Ų160.265%0.64984%0.841SS**  cis166.5-175.7-1.900000113.4
383R29.4Very low28.6Very low263 Ų263160.9 Ų160.999%0.99284%0.842SS**  trans63.6138-177.7-57.3176.4173.4175.9-3.3113.8
384G27.3Very low29.1Very low70 Ų70157.2 Ų157.272%0.72284%0.844SS**  cis157.7127.3-0.700000106.3
385T28.5Very low29.5Very low138 Ų138156.1 Ų156.185%0.84784%0.843SS**  -160.3141.558.2-65.50000110.2
386Q27.5Very low29.7Very low191 Ų191152.5 Ų152.589%0.89383%0.833SS**  trans-129.1139.1164.9-81.3-170.3-16.900110.4
387V30.1Very low30.2Very low136 Ų136144.2 Ų144.282%0.82481%0.811SS**PPolyproline II helixtrans-76.6137.6178.11790000109.6I389V387-I389 PolarHBondContact O-N 2.95Å
388K29Very low30.5Very low192 Ų192142.7 Ų142.784%0.83581%0.809SS**PPolyproline II helixtrans-63.5121.1179.2-68.1177178.4175.70110.9
389I29.5Very low31.4Very low171 Ų171143.3 Ų143.388%0.87779%0.793SS**PPolyproline II helixtrans-87.2117.3158.2-62.1176.7000107.3V387V387-I389 PolarHBondContact O-N 2.95Å
390L27.7Very low32.3Very low150 Ų150135 Ų13579%0.78577%0.767SS**PPolyproline II helixtrans-82.7136.5170.3-74.7164.3000109.6
391R27.4Very low33.5Very low237 Ų237130.8 Ų130.889%0.89476%0.755SS**PPolyproline II helixtrans-73.5138.2163.5-85.2-178.4167.8174.9-5.4109.3
392P34.5Very low34.8Very low116 Ų116132.9 Ų132.975%0.75375%0.751SS**PPolyproline II helixtrans-65.5154.4159.6-15.630.6000111.1
393P34.6Very low36.4Very low123 Ų123131 Ų13180%0.79973%0.726SS**PPolyproline II helixtrans-72.5163.4167.732.9-34.9000111.3
394A36.2Very low38.1Very low114 Ų114125 Ų12594%0.94271%0.709SS**SBendtrans-79.4124.6173.900000110.6
395G34.6Very low40.4Very low74 Ų74122.6 Ų122.676%0.76368%0.68SS**  trans16152.7-178.200000113.5S397G395-S397 PolarHBondContact O-N 3.25Å
396S33.3Very low42Very low96 Ų96119.3 Ų119.367%0.67166%0.661SS**  trans-71121.3175.756.20000110.8
397S38.9Very low43.5Very low60 Ų60114.1 Ų114.142%0.4265%0.651SS.*  trans-74.1168.5169.171.50000110.9G395 E399 D400G395-S397 PolarHBondContact O-N 3.25Å; S397-E399 VanDerWaalsContact C-N 3.29Å; S397-E399 PolarHBondContact O-N 2.87Å; S397-D400 WeakPolarHBondContact CB-OD2 3.18Å; S397-D400 PolarHBondContact N-OD2 2.81Å; S397-D400 PolarHBondContact O-N 3.46Å; S397-D400 PolarHBondContact OG-OD2 2.88Å
398A38.6Very low45.1Very low90 Ų90111 Ų11174%0.74465%0.645SS**Hα-helixtrans-63-37175.600000112.1D400 K401A398-D400 PolarHBondContact O-N 3.07Å; A398-K401 PolarHBondContact O-N 3.31Å
399E44.9Very low47.4Very low119 Ų119103.8 Ų103.856%0.55662%0.616SS**Hα-helixtrans-61.9-27178.1-76.2-167.1-134.900114.1S397 K401 N403 K412S397-E399 VanDerWaalsContact C-N 3.29Å; S397-E399 PolarHBondContact O-N 2.87Å; E399-K401 VanDerWaalsContact C-N 3.28Å; E399-K401 PolarHBondContact O-N 3.37Å; E399-N403 PolarHBondContact O-ND2 2.93Å; E399-K412 IonicContact OE2-NZ 2.69Å; E399-K412 PolarHBondContact OE2-NZ 3.17Å
400D47.8Very low50Low64 Ų6498 Ų9834%0.34259%0.586SS.*Hα-helixtrans-64.1-37.8-176.5-69.9-61.1000111.1S397 A398 N403 E404S397-D400 WeakPolarHBondContact CB-OD2 3.18Å; S397-D400 PolarHBondContact N-OD2 2.81Å; S397-D400 PolarHBondContact O-N 3.46Å; S397-D400 PolarHBondContact OG-OD2 2.88Å; A398-D400 PolarHBondContact O-N 3.07Å; D400-N403 PolarHBondContact O-N 3.34Å; D400-N403 VanDerWaalsContact O-N 3.15Å; D400-E404 PolarHBondContact O-N 2.83Å
401K52.4Low52.6Low154 Ų15493.6 Ų93.667%0.6756%0.561SS**Hα-helixtrans-66.6-37.7-177.5-67.8-174.8177.3-1790113.7A398 E399 N403 E404A398-K401 PolarHBondContact O-N 3.31Å; E399-K401 VanDerWaalsContact C-N 3.28Å; E399-K401 PolarHBondContact O-N 3.37Å; K401-N403 PolarHBondContact O-N 3.17Å; K401-E404 PolarHBondContact O-N 3.43Å
402E51.8Low55.3Low170 Ų17087.2 Ų87.279%0.79454%0.54SS*.Hα-helixtrans-69.6-13.6176.9-63.8-175.8157.500112.8
403N59.6Low57.6Low22 Ų2290.3 Ų90.312%0.11854%0.536CS..THydrogen-bonded Turntrans-104.7-0.3-177.3-73.3-86.8000113.4E399 D400 K401 N410 K411 K412E399-N403 PolarHBondContact O-ND2 2.93Å; D400-N403 PolarHBondContact O-N 3.34Å; D400-N403 VanDerWaalsContact O-N 3.15Å; K401-N403 PolarHBondContact O-N 3.17Å; N403-N410 CarbonylContact O-C 3.53Å; N403-N410 VanDerWaalsContact O-CA 3.28Å; N403-N410 WeakPolarHBondContact O-CA 3.43Å; N403-K411 PolarHBondContact O-N 3.5Å; N403-K412 HydrophobicContact CB-CD 4.4Å; N403-K412 WeakPolarHBondContact ND2-CE 3.46Å; N403-K412 PolarHBondContact ND2-NZ 2.68Å; N403-K412 WeakPolarHBondContact OD1-CD 3.39Å; N403-K412 WeakPolarHBondContact OD1-CE 3.46Å; N403-K412 VanDerWaalsContact OD1-CG 3.3Å; N403-K412 WeakPolarHBondContact OD1-CG 3.25Å
404E66.8Low60Low138 Ų13885.2 Ų85.265%0.64550%0.502SS*.EExtended strand (participates in β ladder)trans-83.3110.4174.3-71.6-174.7162.100111.5D400 K401D400-E404 PolarHBondContact O-N 2.83Å; K401-E404 PolarHBondContact O-N 3.43Å
405L73.8Confident62.3Low19 Ų1981.1 Ų81.110%0.09947%0.466CS..EExtended strand (participates in β ladder)trans-85.1159.1173.3-58.4173.5000111.2A407 G408 L409 K411 L414 L436L405-A407 PolarHBondContact O-N 2.64Å; L405-G408 PolarHBondContact O-N 2.83Å; L405-L409 HydrophobicContact CB-CB 4.4Å; L405-L409 VanDerWaalsContact CB-O 3.26Å; L405-L409 WeakPolarHBondContact CB-O 3.46Å; L405-L409 PolarHBondContact N-O 3.41Å; L405-K411 HydrophobicContact CD1-CB 4.06Å; L405-K411 HydrophobicContact CD1-CG 4.44Å; L405-K411 HydrophobicContact CD2-CB 4.25Å; L405-K411 HydrophobicContact CD2-CD 4.42Å; L405-K411 HydrophobicContact CG-CB 4.13Å; L405-L414 HydrophobicContact CD1-CD1 3.75Å; L405-L436 HydrophobicContact CD1-CD2 3.9Å
406P63.3Low64.7Low70 Ų7080.5 Ų80.546%0.45545%0.454SS..THydrogen-bonded Turntrans-47.5135.8171.9-29.536.3000113.1S435P406-S435 PolarHBondContact O-OG 2.93Å
407A57.8Low67.1Low82 Ų8279.6 Ų79.668%0.67844%0.441SS*.THydrogen-bonded Turntrans70.814.5-169.100000116.8L405 L409 F431L405-A407 PolarHBondContact O-N 2.64Å; A407-L409 HydrophobicContact CB-CD1 4.24Å; A407-F431 HydrophobicContact CB-CZ 4.05Å
408G64.8Low69.4Low69 Ų6976.8 Ų76.871%0.71142%0.421SS*.THydrogen-bonded Turntrans79.927.5169.400000114.4L405L405-G408 PolarHBondContact O-N 2.83Å
409L77.4Confident71.4Confident41 Ų4178.9 Ų78.922%0.21541%0.413CS..EExtended strand (participates in β ladder)trans-90.4139.3172.9-78.773.8000109.1L405 A407 L414 F431L405-L409 HydrophobicContact CB-CB 4.4Å; L405-L409 VanDerWaalsContact CB-O 3.26Å; L405-L409 WeakPolarHBondContact CB-O 3.46Å; L405-L409 PolarHBondContact N-O 3.41Å; A407-L409 HydrophobicContact CB-CD1 4.24Å; L409-L414 HydrophobicContact CB-CD1 4.33Å; L409-L414 HydrophobicContact CD2-CD1 4.26Å; L409-L414 HydrophobicContact CD2-CD2 4.47Å; L409-F431 HydrophobicContact CD1-CE1 3.92Å; L409-F431 HydrophobicContact CD1-CZ 4.25Å; L409-F431 HydrophobicContact CD2-CE1 3.99Å
410N83Confident73.1Confident49 Ų4976.8 Ų76.826%0.26242%0.417SS..EExtended strand (participates in β ladder)trans-95.6125.8179.3179.1-76.2000111.4N403 K412 R413 L414N403-N410 CarbonylContact O-C 3.53Å; N403-N410 VanDerWaalsContact O-CA 3.28Å; N403-N410 WeakPolarHBondContact O-CA 3.43Å; N410-K412 WeakPolarHBondContact OD1-CB 3.41Å; N410-K412 PolarHBondContact OD1-N 3.13Å; N410-K412 VanDerWaalsContact OD1-N 3.16Å; N410-R413 HydrophobicContact CB-CB 4.05Å; N410-R413 PolarHBondContact O-N 3.17Å; N410-R413 PolarHBondContact OD1-N 3.09Å; N410-L414 PolarHBondContact O-N 3.13Å
411K83.1Confident74.7Confident59 Ų5981.3 Ų81.326%0.25743%0.433SS..Hα-helixtrans-63-48.6-175.9-167.5174.1-176.6172.20112.6N403 L405 R413 L414 V415 L436N403-K411 PolarHBondContact O-N 3.5Å; L405-K411 HydrophobicContact CD1-CB 4.06Å; L405-K411 HydrophobicContact CD1-CG 4.44Å; L405-K411 HydrophobicContact CD2-CB 4.25Å; L405-K411 HydrophobicContact CD2-CD 4.42Å; L405-K411 HydrophobicContact CG-CB 4.13Å; K411-R413 PolarHBondContact O-N 3.24Å; K411-L414 PolarHBondContact O-N 3.31Å; K411-L414 VanDerWaalsContact O-N 3.11Å; K411-V415 WeakPolarHBondContact O-CG2 3.4Å; K411-V415 PolarHBondContact O-N 3.01Å; K411-L436 HydrophobicContact CG-CD2 4.28Å
412K83.3Confident76Confident102 Ų10275.9 Ų75.944%0.44342%0.421SS..Hα-helixtrans-53.2-41.5174.6-77.3162.5177.5172.10111.3E399 N403 N410 A416E399-K412 IonicContact OE2-NZ 2.69Å; E399-K412 PolarHBondContact OE2-NZ 3.17Å; N403-K412 HydrophobicContact CB-CD 4.4Å; N403-K412 WeakPolarHBondContact ND2-CE 3.46Å; N403-K412 PolarHBondContact ND2-NZ 2.68Å; N403-K412 WeakPolarHBondContact OD1-CD 3.39Å; N403-K412 WeakPolarHBondContact OD1-CE 3.46Å; N403-K412 VanDerWaalsContact OD1-CG 3.3Å; N403-K412 WeakPolarHBondContact OD1-CG 3.25Å; N410-K412 WeakPolarHBondContact OD1-CB 3.41Å; N410-K412 PolarHBondContact OD1-N 3.13Å; N410-K412 VanDerWaalsContact OD1-N 3.16Å; K412-A416 WeakPolarHBondContact O-CB 3.09Å; K412-A416 PolarHBondContact O-N 2.78Å
413R84.3Confident77.7Confident181 Ų18170.6 Ų70.668%0.68340%0.396SS*.Hα-helixtrans-68.3-38.3177.5-171.6177-179.8-179.40.8113.7N410 K411 A416 L417N410-R413 HydrophobicContact CB-CB 4.05Å; N410-R413 PolarHBondContact O-N 3.17Å; N410-R413 PolarHBondContact OD1-N 3.09Å; K411-R413 PolarHBondContact O-N 3.24Å; R413-A416 PolarHBondContact O-N 3.38Å; R413-L417 HydrophobicContact CG-CD1 4.5Å; R413-L417 WeakPolarHBondContact O-CG 3.37Å; R413-L417 PolarHBondContact O-N 3.26Å
414L85.3Confident79.2Confident16 Ų1669.9 Ų69.98%0.08439%0.392CS..Hα-helixtrans-65.2-44.7175.3-74.1170.3000111.4L405 L409 N410 K411 A416 L417 L418 F424 V432 L436L405-L414 HydrophobicContact CD1-CD1 3.75Å; L409-L414 HydrophobicContact CB-CD1 4.33Å; L409-L414 HydrophobicContact CD2-CD1 4.26Å; L409-L414 HydrophobicContact CD2-CD2 4.47Å; N410-L414 PolarHBondContact O-N 3.13Å; K411-L414 PolarHBondContact O-N 3.31Å; K411-L414 VanDerWaalsContact O-N 3.11Å; L414-A416 VanDerWaalsContact C-N 3.32Å; L414-A416 PolarHBondContact O-N 3.27Å; L414-L417 PolarHBondContact O-N 2.97Å; L414-L418 WeakPolarHBondContact O-CB 3.39Å; L414-L418 PolarHBondContact O-N 3.16Å; L414-F424 HydrophobicContact CB-CE1 4.33Å; L414-F424 HydrophobicContact CB-CZ 4.3Å; L414-F424 HydrophobicContact CD2-CE1 4.2Å; L414-V432 HydrophobicContact CD1-CG1 4.17Å; L414-V432 HydrophobicContact CD2-CG1 4.13Å; L414-V432 HydrophobicContact CD2-CG2 4.44Å; L414-L436 HydrophobicContact CD1-CD2 4.19Å; L414-L436 HydrophobicContact CD1-CG 4.46Å
415V84.6Confident80.2Confident29 Ų2967.4 Ų67.418%0.17639%0.388CS..Hα-helixtrans-60.7-40.7175.51760000111.3K411 L418 K419K411-V415 WeakPolarHBondContact O-CG2 3.4Å; K411-V415 PolarHBondContact O-N 3.01Å; V415-L418 PolarHBondContact O-N 2.85Å; V415-K419 HydrophobicContact CG1-CD 4.38Å; V415-K419 WeakPolarHBondContact O-CG 3.49Å; V415-K419 PolarHBondContact O-N 2.91Å
416A83.2Confident80.7Confident61 Ų6170.1 Ų70.150%0.50441%0.413SS..Hα-helixtrans-64.1-41.4176.300000112.7K412 R413 L414 A420K412-A416 WeakPolarHBondContact O-CB 3.09Å; K412-A416 PolarHBondContact O-N 2.78Å; R413-A416 PolarHBondContact O-N 3.38Å; L414-A416 VanDerWaalsContact C-N 3.32Å; L414-A416 PolarHBondContact O-N 3.27Å; A416-A420 WeakPolarHBondContact O-CB 3.49Å; A416-A420 PolarHBondContact O-N 3.39Å; A416-A420 VanDerWaalsContact O-N 3.17Å
417L83.9Confident81.8Confident76 Ų7675 Ų7540%0.39843%0.427SS..Hα-helixtrans-64.9-41.8174.2-72.5169000111.7R413 L414 A420 F421R413-L417 HydrophobicContact CG-CD1 4.5Å; R413-L417 WeakPolarHBondContact O-CG 3.37Å; R413-L417 PolarHBondContact O-N 3.26Å; L414-L417 PolarHBondContact O-N 2.97Å; L417-A420 PolarHBondContact O-N 2.73Å; L417-A420 VanDerWaalsContact O-N 3.17Å; L417-F421 HydrophobicContact CD2-CD2 4.26Å; L417-F421 HydrophobicContact CD2-CE2 3.97Å; L417-F421 WeakPolarHBondContact O-CD2 3.37Å; L417-F421 PolarHBondContact O-N 2.8Å
418L87.1Confident83.2Confident1 Ų177 Ų771%0.00542%0.418CS..Hα-helixtrans-63.6-41.9178.5-171.863.4000111.9L414 V415 A420 G422 F424 D592 N593 S596L414-L418 WeakPolarHBondContact O-CB 3.39Å; L414-L418 PolarHBondContact O-N 3.16Å; V415-L418 PolarHBondContact O-N 2.85Å; L418-A420 VanDerWaalsContact C-N 3.27Å; L418-A420 PolarHBondContact O-N 3.46Å; L418-G422 WeakPolarHBondContact CD1-O 3.49Å; L418-G422 VanDerWaalsContact O-CA 3.24Å; L418-G422 WeakPolarHBondContact O-CA 3.49Å; L418-G422 PolarHBondContact O-N 3.4Å; L418-F424 HydrophobicContact CB-CE1 3.89Å; L418-F424 HydrophobicContact CB-CZ 4.01Å; L418-F424 HydrophobicContact CD1-CD1 4.27Å; L418-F424 HydrophobicContact CD1-CD2 4.43Å; L418-F424 HydrophobicContact CD1-CE1 4.19Å; L418-F424 HydrophobicContact CD1-CE2 4.34Å; L418-F424 HydrophobicContact CD1-CG 4.38Å; L418-F424 HydrophobicContact CD1-CZ 4.22Å; L418-F424 HydrophobicContact CD2-CE2 4.18Å; L418-F424 HydrophobicContact CD2-CZ 3.97Å; L418-F424 HydrophobicContact CG-CE1 4.46Å; L418-F424 HydrophobicContact CG-CZ 4.31Å; L418-D592 HydrophobicContact CD1-CB 3.86Å; L418-D592 HydrophobicContact CD2-CB 4.37Å; L418-D592 VanDerWaalsContact CD2-O 3.3Å; L418-D592 WeakPolarHBondContact CD2-O 3.45Å; L418-N593 HydrophobicContact CD2-CB 4.28Å; L418-N593 WeakPolarHBondContact CD2-OD1 3.46Å; L418-S596 WeakPolarHBondContact CD2-OG 3.28Å
419K82.1Confident84.4Confident134 Ų13474.1 Ų74.158%0.58339%0.386SS*.Hα-helixtrans-65.9-26174.2-72.9-175.9175.8-171.70113.8V415 Y646V415-K419 HydrophobicContact CG1-CD 4.38Å; V415-K419 WeakPolarHBondContact O-CG 3.49Å; V415-K419 PolarHBondContact O-N 2.91Å; K419-Y646 HydrophobicContact CG-CE2 4.48Å
420A80.4Confident84.9Confident76 Ų7675.6 Ų75.663%0.62839%0.393SS*.Hα-helixtrans-85.6-35.5178.800000113.8A416 L417 L418A416-A420 WeakPolarHBondContact O-CB 3.49Å; A416-A420 PolarHBondContact O-N 3.39Å; A416-A420 VanDerWaalsContact O-N 3.17Å; L417-A420 PolarHBondContact O-N 2.73Å; L417-A420 VanDerWaalsContact O-N 3.17Å; L418-A420 VanDerWaalsContact C-N 3.27Å; L418-A420 PolarHBondContact O-N 3.46Å
421F80.9Confident85.1Confident158 Ų15878.2 Ų78.269%0.69340%0.402SS*.Hα-helixtrans-112.3-5-173.9-66.4-74.4000114.5L417 E423L417-F421 HydrophobicContact CD2-CD2 4.26Å; L417-F421 HydrophobicContact CD2-CE2 3.97Å; L417-F421 WeakPolarHBondContact O-CD2 3.37Å; L417-F421 PolarHBondContact O-N 2.8Å; F421-E423 PolarHBondContact O-N 2.99Å
422G78.8Confident85.3Confident40 Ų4076 Ų7641%0.41239%0.393SS..SBendtrans75.6-29.4-17900000114.9L418L418-G422 WeakPolarHBondContact CD1-O 3.49Å; L418-G422 VanDerWaalsContact O-CA 3.24Å; L418-G422 WeakPolarHBondContact O-CA 3.49Å; L418-G422 PolarHBondContact O-N 3.4Å
423E88Confident85.7Confident59 Ų5971.1 Ų71.128%0.27637%0.372SS..SBendtrans-147.7157-175.485.3179.2129.400114.3F421 R429 R589F421-E423 PolarHBondContact O-N 2.99Å; E423-R429 IonicContact OE2-CZ 3.56Å; E423-R429 IonicContact OE2-NH1 3.63Å; E423-R429 IonicContact OE2-NH2 2.71Å; E423-R429 PolarHBondContact OE2-NH2 2.77Å; E423-R589 HydrophobicContact CB-CG 3.79Å; E423-R589 VanDerWaalsContact CD-NE 3.28Å; E423-R589 IonicContact OE1-CZ 2.6Å; E423-R589 IonicContact OE1-NE 2.67Å; E423-R589 PolarHBondContact OE1-NE 2.92Å; E423-R589 IonicContact OE1-NH2 3.39Å; E423-R589 PolarHBondContact OE1-NH2 2.82Å; E423-R589 WeakPolarHBondContact OE2-CG 3.43Å; E423-R589 IonicContact OE2-CZ 3.97Å; E423-R589 IonicContact OE2-NE 2.8Å; E423-R589 PolarHBondContact OE2-NE 2.83Å; E423-R589 VanDerWaalsContact OE2-NE 3.08Å; E423-R589 IonicContact OE2-NH2 3.36Å
424F90.9Very high86Confident7 Ų765.7 Ų65.73%0.03135%0.353CS..  trans-82.4138171.8-66.1-47.5000111.6L414 L418 A426 R429 V432 L436 D592 S596L414-F424 HydrophobicContact CB-CE1 4.33Å; L414-F424 HydrophobicContact CB-CZ 4.3Å; L414-F424 HydrophobicContact CD2-CE1 4.2Å; L418-F424 HydrophobicContact CB-CE1 3.89Å; L418-F424 HydrophobicContact CB-CZ 4.01Å; L418-F424 HydrophobicContact CD1-CD1 4.27Å; L418-F424 HydrophobicContact CD1-CD2 4.43Å; L418-F424 HydrophobicContact CD1-CE1 4.19Å; L418-F424 HydrophobicContact CD1-CE2 4.34Å; L418-F424 HydrophobicContact CD1-CG 4.38Å; L418-F424 HydrophobicContact CD1-CZ 4.22Å; L418-F424 HydrophobicContact CD2-CE2 4.18Å; L418-F424 HydrophobicContact CD2-CZ 3.97Å; L418-F424 HydrophobicContact CG-CE1 4.46Å; L418-F424 HydrophobicContact CG-CZ 4.31Å; F424-A426 PolarHBondContact O-N 3.09Å; F424-R429 HydrophobicContact CB-CB 4.43Å; F424-R429 PolarHBondContact O-NH2 2.85Å; F424-V432 HydrophobicContact CD1-CG1 4.34Å; F424-V432 HydrophobicContact CD2-CB 4.48Å; F424-V432 HydrophobicContact CD2-CG1 3.73Å; F424-V432 HydrophobicContact CE1-CG1 4.25Å; F424-V432 HydrophobicContact CE2-CG1 3.65Å; F424-V432 HydrophobicContact CG-CG1 4.11Å; F424-V432 HydrophobicContact CZ-CG1 3.92Å; F424-L436 HydrophobicContact CE2-CD1 3.94Å; F424-L436 HydrophobicContact CZ-CD1 4.37Å; F424-D592 HydrophobicContact CD2-CB 3.75Å; F424-D592 VanDerWaalsContact CD2-CG 3.48Å; F424-D592 WeakPolarHBondContact CD2-OD1 3.26Å; F424-D592 HydrophobicContact CE2-CB 4.11Å; F424-D592 PolarHBondContact N-OD2 2.79Å; F424-S596 WeakPolarHBondContact CE2-OG 3.43Å; F424-S596 WeakPolarHBondContact CZ-OG 3.11Å
425P88.3Confident86.1Confident86 Ų8665.1 Ų65.156%0.55835%0.351SS*.  trans-56.7123.8179.4-26.434.4000112.3K427 Y428 R429P425-K427 PolarHBondContact O-N 2.78Å; P425-Y428 HydrophobicContact CB-CD2 4.39Å; P425-Y428 PolarHBondContact O-N 2.82Å; P425-R429 PolarHBondContact O-N 2.97Å
426A85.1Confident86.2Confident76 Ų7664 Ų6463%0.62834%0.343SS*.Hα-helixtrans-52.6-32.2-170.200000114.9F424 Y428F424-A426 PolarHBondContact O-N 3.09Å; A426-Y428 VanDerWaalsContact C-N 3.25Å; A426-Y428 PolarHBondContact O-N 2.83Å
427K86.4Confident86.5Confident172 Ų17261.1 Ų61.175%0.74832%0.32SS*.Hα-helixtrans-61.4-29.1175-177.2-179.7175.9-165.20113.7P425P425-K427 PolarHBondContact O-N 2.78Å
428Y87.4Confident86.8Confident125 Ų12559.4 Ų59.449%0.4931%0.314SS..Hα-helixtrans-114.8-15.5-175-60.5-74.4000113.3P425 A426 M430 F431 V432P425-Y428 HydrophobicContact CB-CD2 4.39Å; P425-Y428 PolarHBondContact O-N 2.82Å; A426-Y428 VanDerWaalsContact C-N 3.25Å; A426-Y428 PolarHBondContact O-N 2.83Å; Y428-M430 VanDerWaalsContact C-N 3.33Å; Y428-M430 PolarHBondContact O-N 3.29Å; Y428-F431 WeakPolarHBondContact O-CA 3.37Å; Y428-F431 WeakPolarHBondContact O-CB 3.41Å; Y428-F431 PolarHBondContact O-N 3.43Å; Y428-V432 PolarHBondContact O-N 3.34Å
429R88.9Confident86.9Confident8 Ų860.1 Ų60.13%0.0332%0.317CS..Hα-helixtrans-43.1-51.9-179.6-178.6174.3-80.3142.2-7.7113.4E423 F424 P425 F431 V432 W433 D592E423-R429 IonicContact OE2-CZ 3.56Å; E423-R429 IonicContact OE2-NH1 3.63Å; E423-R429 IonicContact OE2-NH2 2.71Å; E423-R429 PolarHBondContact OE2-NH2 2.77Å; F424-R429 HydrophobicContact CB-CB 4.43Å; F424-R429 PolarHBondContact O-NH2 2.85Å; P425-R429 PolarHBondContact O-N 2.97Å; R429-F431 VanDerWaalsContact C-N 3.31Å; R429-F431 PolarHBondContact O-N 2.76Å; R429-V432 PolarHBondContact O-N 3.44Å; R429-W433 HydrophobicContact CG-CD2 4.29Å; R429-W433 HydrophobicContact CG-CZ2 4.08Å; R429-W433 VanDerWaalsContact O-CD1 3.23Å; R429-W433 PolarHBondContact O-N 2.79Å; R429-D592 WeakPolarHBondContact CD-OD1 3.49Å; R429-D592 WeakPolarHBondContact CG-OD1 3.46Å; R429-D592 IonicContact CZ-OD1 3.65Å; R429-D592 IonicContact CZ-OD2 3.05Å; R429-D592 VanDerWaalsContact CZ-OD2 3.23Å; R429-D592 VanDerWaalsContact NE-CG 3.28Å; R429-D592 IonicContact NE-OD1 3.78Å; R429-D592 PolarHBondContact NE-OD1 3.23Å; R429-D592 IonicContact NE-OD2 3.7Å; R429-D592 PolarHBondContact NE-OD2 2.84Å; R429-D592 IonicContact NH2-OD2 3.9Å; R429-D592 PolarHBondContact NH2-OD2 2.68Å
430M87.4Confident87.1Confident72 Ų7255 Ų5536%0.35530%0.298SS..Hα-helixtrans-63.7-32.3-179.1-50-53-68.300113.8Y428 K434 F507Y428-M430 VanDerWaalsContact C-N 3.33Å; Y428-M430 PolarHBondContact O-N 3.29Å; M430-K434 PolarHBondContact O-N 3.18Å; M430-K434 VanDerWaalsContact O-N 3.15Å; M430-F507 HydrophobicContact CE-CD1 4.04Å; M430-F507 HydrophobicContact CE-CD2 4.13Å; M430-F507 HydrophobicContact CE-CE1 3.52Å; M430-F507 HydrophobicContact CE-CE2 3.62Å; M430-F507 HydrophobicContact CE-CG 4.32Å; M430-F507 HydrophobicContact CE-CZ 3.28Å
431F87.7Confident87.5Confident105 Ų10554.8 Ų54.846%0.46128%0.284SS..Hα-helixtrans-75.6-41.1175.2172.4-94000111A407 L409 Y428 R429 W433 K434 S435A407-F431 HydrophobicContact CB-CZ 4.05Å; L409-F431 HydrophobicContact CD1-CE1 3.92Å; L409-F431 HydrophobicContact CD1-CZ 4.25Å; L409-F431 HydrophobicContact CD2-CE1 3.99Å; Y428-F431 WeakPolarHBondContact O-CA 3.37Å; Y428-F431 WeakPolarHBondContact O-CB 3.41Å; Y428-F431 PolarHBondContact O-N 3.43Å; R429-F431 VanDerWaalsContact C-N 3.31Å; R429-F431 PolarHBondContact O-N 2.76Å; F431-W433 VanDerWaalsContact C-N 3.35Å; F431-W433 PolarHBondContact O-N 2.95Å; F431-K434 PolarHBondContact O-N 3.36Å; F431-S435 PolarHBondContact O-N 2.92Å
432V88.4Confident87.9Confident11 Ų1147.7 Ų47.77%0.06725%0.253CS..Hα-helixtrans-60.4-44.3173.6174.50000110.7L414 F424 Y428 R429 K434 S435 L436L414-V432 HydrophobicContact CD1-CG1 4.17Å; L414-V432 HydrophobicContact CD2-CG1 4.13Å; L414-V432 HydrophobicContact CD2-CG2 4.44Å; F424-V432 HydrophobicContact CD1-CG1 4.34Å; F424-V432 HydrophobicContact CD2-CB 4.48Å; F424-V432 HydrophobicContact CD2-CG1 3.73Å; F424-V432 HydrophobicContact CE1-CG1 4.25Å; F424-V432 HydrophobicContact CE2-CG1 3.65Å; F424-V432 HydrophobicContact CG-CG1 4.11Å; F424-V432 HydrophobicContact CZ-CG1 3.92Å; Y428-V432 PolarHBondContact O-N 3.34Å; R429-V432 PolarHBondContact O-N 3.44Å; V432-K434 PolarHBondContact O-N 2.98Å; V432-S435 PolarHBondContact O-N 3.23Å; V432-L436 HydrophobicContact CG1-CD1 3.78Å; V432-L436 HydrophobicContact CG1-CG 4.23Å; V432-L436 WeakPolarHBondContact O-CB 3.28Å; V432-L436 WeakPolarHBondContact O-CG 3.37Å; V432-L436 PolarHBondContact O-N 3.41Å
433W91.5Very high88.5Confident1 Ų151.6 Ų51.60%0.00426%0.26CS..Hα-helixtrans-61.4-43.2175.3-69.911.5000112.1R429 F431 S435 L436 L437 L506 W587 L588 F591 D592 F595R429-W433 HydrophobicContact CG-CD2 4.29Å; R429-W433 HydrophobicContact CG-CZ2 4.08Å; R429-W433 VanDerWaalsContact O-CD1 3.23Å; R429-W433 PolarHBondContact O-N 2.79Å; F431-W433 VanDerWaalsContact C-N 3.35Å; F431-W433 PolarHBondContact O-N 2.95Å; W433-S435 PolarHBondContact O-N 3.33Å; W433-L436 PolarHBondContact O-N 3.12Å; W433-L437 WeakPolarHBondContact O-CB 3.19Å; W433-L437 WeakPolarHBondContact O-CG 3.44Å; W433-L437 PolarHBondContact O-N 2.86Å; W433-L506 HydrophobicContact CZ3-CD1 4.35Å; W433-W587 HydrophobicContact CH2-CH2 4.5Å; W433-W587 AromaticContact CH2-CZ3 3.81Å; W433-W587 HydrophobicContact CH2-CZ3 3.81Å; W433-W587 HydrophobicContact CZ3-CZ3 4.26Å; W433-L588 HydrophobicContact CH2-CD2 3.64Å; W433-L588 HydrophobicContact CZ2-CD2 4.11Å; W433-L588 HydrophobicContact CZ3-CD2 4.42Å; W433-F591 HydrophobicContact CH2-CB 3.7Å; W433-F591 HydrophobicContact CZ2-CB 3.76Å; W433-D592 PolarHBondContact NE1-OD1 2.86Å; W433-F595 HydrophobicContact CB-CD2 4.48Å; W433-F595 AromaticContact CD2-CD2 3.76Å; W433-F595 HydrophobicContact CD2-CD2 3.76Å; W433-F595 AromaticContact CD2-CE2 3.87Å; W433-F595 HydrophobicContact CD2-CE2 3.87Å; W433-F595 AromaticContact CE2-CD2 3.99Å; W433-F595 HydrophobicContact CE3-CD2 4.09Å; W433-F595 AromaticContact CE3-CE2 3.68Å; W433-F595 HydrophobicContact CE3-CE2 3.68Å; W433-F595 AromaticContact CG-CD2 3.96Å; W433-F595 HydrophobicContact CG-CD2 3.96Å; W433-F595 HydrophobicContact CG-CE2 4.41Å; W433-F595 HydrophobicContact CH2-CE2 4.3Å; W433-F595 HydrophobicContact CZ2-CD2 4.46Å; W433-F595 AromaticContact CZ3-CE2 3.91Å; W433-F595 HydrophobicContact CZ3-CE2 3.91Å
434K88.9Confident88.5Confident66 Ų6652.6 Ų52.629%0.28728%0.279SS..Hα-helixtrans-59.4-42.6174.6178.8177173.5-1760112.4M430 F431 V432 C438 L439 E441M430-K434 PolarHBondContact O-N 3.18Å; M430-K434 VanDerWaalsContact O-N 3.15Å; F431-K434 PolarHBondContact O-N 3.36Å; V432-K434 PolarHBondContact O-N 2.98Å; K434-C438 PolarHBondContact O-N 2.8Å; K434-C438 VanDerWaalsContact O-N 3.14Å; K434-L439 HydrophobicContact CB-CD1 4.36Å; K434-L439 HydrophobicContact CG-CB 4.39Å; K434-L439 HydrophobicContact CG-CD1 4.25Å; K434-L439 PolarHBondContact O-N 3.06Å; K434-E441 WeakPolarHBondContact CE-OE1 3.16Å; K434-E441 IonicContact NZ-OE1 2.77Å; K434-E441 PolarHBondContact NZ-OE1 2.83Å; K434-E441 IonicContact NZ-OE2 3.65Å; K434-E441 PolarHBondContact NZ-OE2 3.35Å
435S87.8Confident88.5Confident5 Ų553.1 Ų53.14%0.03529%0.285CS..Hα-helixtrans-72.7-31.8176.1-73.90000113.6P406 F431 V432 W433P406-S435 PolarHBondContact O-OG 2.93Å; F431-S435 PolarHBondContact O-N 2.92Å; V432-S435 PolarHBondContact O-N 3.23Å; W433-S435 PolarHBondContact O-N 3.33Å
436L88.3Confident88.7Confident4 Ų450 Ų502%0.02126%0.262CS..Hα-helixtrans-72.6-38.7176.5-77.3171.3000112.5L405 K411 L414 F424 V432 W433 F595L405-L436 HydrophobicContact CD1-CD2 3.9Å; K411-L436 HydrophobicContact CG-CD2 4.28Å; L414-L436 HydrophobicContact CD1-CD2 4.19Å; L414-L436 HydrophobicContact CD1-CG 4.46Å; F424-L436 HydrophobicContact CE2-CD1 3.94Å; F424-L436 HydrophobicContact CZ-CD1 4.37Å; V432-L436 HydrophobicContact CG1-CD1 3.78Å; V432-L436 HydrophobicContact CG1-CG 4.23Å; V432-L436 WeakPolarHBondContact O-CB 3.28Å; V432-L436 WeakPolarHBondContact O-CG 3.37Å; V432-L436 PolarHBondContact O-N 3.41Å; W433-L436 PolarHBondContact O-N 3.12Å; L436-F595 HydrophobicContact CD1-CB 4.44Å
437L89.5Confident89Confident1 Ų149.1 Ų49.11%0.00525%0.251CS..THydrogen-bonded Turntrans-86.5-5.4179.6-64.7174.4000113.5W433 L439 V517 T520 W525 F595 F665W433-L437 WeakPolarHBondContact O-CB 3.19Å; W433-L437 WeakPolarHBondContact O-CG 3.44Å; W433-L437 PolarHBondContact O-N 2.86Å; L437-L439 VanDerWaalsContact C-N 3.26Å; L437-L439 HydrophobicContact CB-CD2 3.68Å; L437-L439 HydrophobicContact CB-CG 3.96Å; L437-L439 HydrophobicContact CD1-CD2 4.32Å; L437-L439 PolarHBondContact O-N 3.4Å; L437-V517 HydrophobicContact CD1-CG1 4.35Å; L437-V517 HydrophobicContact CD1-CG2 4.1Å; L437-T520 HydrophobicContact CB-CG2 4.46Å; L437-T520 HydrophobicContact CD2-CG2 4.08Å; L437-W525 HydrophobicContact CD2-CH2 3.63Å; L437-W525 HydrophobicContact CD2-CZ3 3.79Å; L437-F595 HydrophobicContact CD1-CD2 4.26Å; L437-F595 HydrophobicContact CD1-CE1 4.33Å; L437-F595 HydrophobicContact CD1-CE2 4.05Å; L437-F595 HydrophobicContact CD1-CG 4.49Å; L437-F595 HydrophobicContact CD1-CZ 4.06Å; L437-F595 HydrophobicContact CD2-CD1 3.78Å; L437-F595 HydrophobicContact CD2-CE1 4.05Å; L437-F595 HydrophobicContact CD2-CG 4.11Å; L437-F595 HydrophobicContact CG-CG 4.42Å; L437-F665 HydrophobicContact CD2-CE2 4.13Å; L437-F665 HydrophobicContact CD2-CZ 4.45Å
438C88.1Confident89.2Confident40 Ų4044.3 Ų44.327%0.2724%0.239SC..THydrogen-bonded Turntrans47.944.6-179.3-65.50000113.7K434 P667K434-C438 PolarHBondContact O-N 2.8Å; K434-C438 VanDerWaalsContact O-N 3.14Å; C438-P667 HydrophobicContact CB-CB 3.88Å
439L89.6Confident89.4Confident16 Ų1639.1 Ų39.18%0.08422%0.22CC..  trans-61.5131.1-173.6-55.9176.5000111.6K434 L437 L513 E516 V517K434-L439 HydrophobicContact CB-CD1 4.36Å; K434-L439 HydrophobicContact CG-CB 4.39Å; K434-L439 HydrophobicContact CG-CD1 4.25Å; K434-L439 PolarHBondContact O-N 3.06Å; L437-L439 VanDerWaalsContact C-N 3.26Å; L437-L439 HydrophobicContact CB-CD2 3.68Å; L437-L439 HydrophobicContact CB-CG 3.96Å; L437-L439 HydrophobicContact CD1-CD2 4.32Å; L437-L439 PolarHBondContact O-N 3.4Å; L439-L513 HydrophobicContact CD1-CD2 4.1Å; L439-E516 HydrophobicContact CD2-CB 4.26Å; L439-V517 HydrophobicContact CD1-CG2 3.61Å; L439-V517 HydrophobicContact CD2-CG2 4.17Å
440P86.3Confident89.5Confident27 Ų2741.2 Ų41.218%0.17523%0.233CC..  trans-85.6-13.2-167.533.7-37.2000115.4N442 L668P440-N442 WeakPolarHBondContact CG-ND2 3.43Å; P440-L668 HydrophobicContact CG-CB 3.95Å
441E88.7Confident89.6Confident72 Ų7244 Ų4434%0.33625%0.25SC..  trans5650-177.8-65.8-178.3-64.600113.7K434 H443 M512 L513 E516K434-E441 WeakPolarHBondContact CE-OE1 3.16Å; K434-E441 IonicContact NZ-OE1 2.77Å; K434-E441 PolarHBondContact NZ-OE1 2.83Å; K434-E441 IonicContact NZ-OE2 3.65Å; K434-E441 PolarHBondContact NZ-OE2 3.35Å; E441-H443 PolarHBondContact O-CD2 2.89Å; E441-H443 PolarHBondContact O-N 3.44Å; E441-M512 HydrophobicContact CB-CE 3.88Å; E441-M512 HydrophobicContact CG-CE 3.94Å; E441-L513 HydrophobicContact CG-CD2 3.9Å; E441-E516 WeakPolarHBondContact CA-OE1 3.4Å; E441-E516 WeakPolarHBondContact CA-OE2 3.34Å; E441-E516 PolarHBondContact N-OE1 3.37Å; E441-E516 VanDerWaalsContact N-OE1 3.12Å; E441-E516 PolarHBondContact N-OE2 3.01Å; E441-E516 VanDerWaalsContact N-OE2 3.14Å
442N90.7Very high89.6Confident9 Ų944.6 Ų44.65%0.04825%0.252CS..  trans-74.660.8-176.1-72.9-20.8000113P440 A444 A445 Y446 E516 T669 S670 G671 Y673P440-N442 WeakPolarHBondContact CG-ND2 3.43Å; N442-A444 VanDerWaalsContact C-N 3.3Å; N442-A444 PolarHBondContact O-N 3.42Å; N442-A444 VanDerWaalsContact O-N 3.16Å; N442-A445 HydrophobicContact CB-CB 4.18Å; N442-A445 PolarHBondContact O-N 3.42Å; N442-A445 VanDerWaalsContact O-N 3.13Å; N442-Y446 PolarHBondContact O-N 2.95Å; N442-E516 PolarHBondContact N-OE1 2.98Å; N442-T669 PolarHBondContact ND2-O 3.07Å; N442-S670 WeakPolarHBondContact OD1-CA 3.3Å; N442-G671 PolarHBondContact OD1-N 3.45Å; N442-Y673 HydrophobicContact CB-CE1 3.75Å; N442-Y673 HydrophobicContact CB-CE2 4.32Å; N442-Y673 WeakPolarHBondContact ND2-CE1 3.41Å
443H90.8Very high89.7Confident121 Ų12145.9 Ų45.956%0.5627%0.267SS*.Hα-helixtrans-45.9-47.7-178.4-73.7-80000113.8E441 S447 M512E441-H443 PolarHBondContact O-CD2 2.89Å; E441-H443 PolarHBondContact O-N 3.44Å; H443-S447 WeakPolarHBondContact O-CB 3.47Å; H443-S447 PolarHBondContact O-N 3.04Å; H443-S447 PolarHBondContact O-OG 3.44Å; H443-S447 VanDerWaalsContact O-OG 3.1Å; H443-M512 HydrophobicContact CB-SD 4.31Å; H443-M512 PolarHBondContact ND1-SD 3.45Å; H443-M512 VanDerWaalsContact ND1-SD 3.38Å
444A89Confident89.6Confident81 Ų8149.8 Ų49.867%0.66929%0.288SS*.Hα-helixtrans-67.7-41.9-177.500000113.2N442 S448N442-A444 VanDerWaalsContact C-N 3.3Å; N442-A444 PolarHBondContact O-N 3.42Å; N442-A444 VanDerWaalsContact O-N 3.16Å; A444-S448 PolarHBondContact O-N 3.41Å; A444-S448 VanDerWaalsContact O-N 3.11Å
445A89.1Confident89.7Confident18 Ų1848.3 Ų48.315%0.14928%0.282CS..Hα-helixtrans-69.6-38.9177.700000111.4N442 S448 L449 Y673N442-A445 HydrophobicContact CB-CB 4.18Å; N442-A445 PolarHBondContact O-N 3.42Å; N442-A445 VanDerWaalsContact O-N 3.13Å; A445-S448 PolarHBondContact O-N 2.91Å; A445-L449 WeakPolarHBondContact O-CG 3.31Å; A445-L449 PolarHBondContact O-N 3.03Å; A445-Y673 HydrophobicContact CB-CD2 3.79Å; A445-Y673 HydrophobicContact CB-CE2 3.7Å
446Y93.3Very high89.6Confident21 Ų2149.6 Ų49.68%0.08229%0.291CS..Hα-helixtrans-64.2-45.3174.9-174.1-107.3000112.1N442 S448 L449 T450 A482 P511 M512 F515N442-Y446 PolarHBondContact O-N 2.95Å; Y446-S448 VanDerWaalsContact C-N 3.32Å; Y446-S448 PolarHBondContact O-N 3Å; Y446-L449 WeakPolarHBondContact O-CB 3.37Å; Y446-L449 PolarHBondContact O-N 2.97Å; Y446-L449 VanDerWaalsContact O-N 3.1Å; Y446-T450 HydrophobicContact CD1-CG2 4.21Å; Y446-T450 HydrophobicContact CE1-CG2 3.69Å; Y446-T450 HydrophobicContact CE2-CG2 4.15Å; Y446-T450 PolarHBondContact O-N 3.44Å; Y446-T450 PolarHBondContact O-OG1 3.11Å; Y446-A482 HydrophobicContact CE2-CB 3.93Å; Y446-P511 PolarHBondContact OH-O 3.01Å; Y446-M512 HydrophobicContact CD1-CB 3.68Å; Y446-M512 HydrophobicContact CD1-CG 3.81Å; Y446-M512 HydrophobicContact CD2-CG 4.33Å; Y446-M512 HydrophobicContact CE1-CB 3.88Å; Y446-M512 HydrophobicContact CE1-CG 4.47Å; Y446-M512 HydrophobicContact CG-CB 4.04Å; Y446-M512 HydrophobicContact CG-CG 3.72Å; Y446-F515 HydrophobicContact CD2-CB 4Å; Y446-F515 AromaticContact CD2-CD1 3.74Å; Y446-F515 HydrophobicContact CD2-CD1 3.74Å; Y446-F515 HydrophobicContact CD2-CD2 4.43Å; Y446-F515 HydrophobicContact CD2-CE1 4.38Å; Y446-F515 AromaticContact CD2-CG 3.79Å; Y446-F515 HydrophobicContact CD2-CG 3.79Å; Y446-F515 HydrophobicContact CE2-CB 3.48Å; Y446-F515 VanDerWaalsContact CE2-CB 3.48Å; Y446-F515 HydrophobicContact CE2-CD1 4.07Å; Y446-F515 HydrophobicContact CE2-CD2 4.09Å; Y446-F515 AromaticContact CE2-CG 3.61Å; Y446-F515 HydrophobicContact CE2-CG 3.61Å
447S91Very high89.4Confident56 Ų5650.3 Ų50.339%0.39230%0.298SS..Hα-helixtrans-54.8-48.8174.3-67.40000111.2H443 L449 T450 D451H443-S447 WeakPolarHBondContact O-CB 3.47Å; H443-S447 PolarHBondContact O-N 3.04Å; H443-S447 PolarHBondContact O-OG 3.44Å; H443-S447 VanDerWaalsContact O-OG 3.1Å; S447-L449 PolarHBondContact O-N 3.48Å; S447-T450 WeakPolarHBondContact CA-OG1 3.32Å; S447-T450 CarbonylContact O-C 3.59Å; S447-T450 WeakPolarHBondContact O-CA 3.48Å; S447-T450 PolarHBondContact O-N 2.88Å; S447-T450 PolarHBondContact O-OG1 3.34Å; S447-D451 WeakPolarHBondContact O-CB 3.4Å; S447-D451 PolarHBondContact O-N 3.48Å
448S92Very high89.5Confident72 Ų7250.8 Ų50.850%0.50330%0.3SS..Hα-helixtrans-59.5-28.9178.5-177.10000114.1A444 A445 Y446A444-S448 PolarHBondContact O-N 3.41Å; A444-S448 VanDerWaalsContact O-N 3.11Å; A445-S448 PolarHBondContact O-N 2.91Å; Y446-S448 VanDerWaalsContact C-N 3.32Å; Y446-S448 PolarHBondContact O-N 3Å
449L90.8Very high89.3Confident15 Ų1553.2 Ų53.28%0.07931%0.309CS..Hα-helixtrans-76.2-37.7171.1-66.2173.4000112.3A445 Y446 S447 A482 H485 W486 F515 Y673A445-L449 WeakPolarHBondContact O-CG 3.31Å; A445-L449 PolarHBondContact O-N 3.03Å; Y446-L449 WeakPolarHBondContact O-CB 3.37Å; Y446-L449 PolarHBondContact O-N 2.97Å; Y446-L449 VanDerWaalsContact O-N 3.1Å; S447-L449 PolarHBondContact O-N 3.48Å; L449-A482 HydrophobicContact CB-CB 4.34Å; L449-H485 HydrophobicContact CD2-CB 4.01Å; L449-H485 VanDerWaalsContact CD2-O 3.25Å; L449-H485 WeakPolarHBondContact CD2-O 3.35Å; L449-H485 PolarHBondContact O-CD2 2.83Å; L449-H485 VanDerWaalsContact O-CD2 3.28Å; L449-W486 HydrophobicContact CD1-CB 4.05Å; L449-W486 HydrophobicContact CD2-CB 4.14Å; L449-F515 HydrophobicContact CD1-CE1 4.16Å; L449-F515 HydrophobicContact CD1-CE2 4.16Å; L449-F515 HydrophobicContact CD1-CZ 3.59Å; L449-Y673 HydrophobicContact CD1-CD2 3.9Å; L449-Y673 HydrophobicContact CD1-CE2 4.01Å
450T90.7Very high88.9Confident52 Ų5256.6 Ų56.632%0.31933%0.331SS..Hα-helixtrans-78.4-25.8178.757.20000114.4Y446 S447 K452 G453Y446-T450 HydrophobicContact CD1-CG2 4.21Å; Y446-T450 HydrophobicContact CE1-CG2 3.69Å; Y446-T450 HydrophobicContact CE2-CG2 4.15Å; Y446-T450 PolarHBondContact O-N 3.44Å; Y446-T450 PolarHBondContact O-OG1 3.11Å; S447-T450 WeakPolarHBondContact CA-OG1 3.32Å; S447-T450 CarbonylContact O-C 3.59Å; S447-T450 WeakPolarHBondContact O-CA 3.48Å; S447-T450 PolarHBondContact O-N 2.88Å; S447-T450 PolarHBondContact O-OG1 3.34Å; T450-K452 PolarHBondContact O-N 3.24Å; T450-G453 PolarHBondContact O-N 3.33Å
451D90.6Very high88.9Confident131 Ų13155.8 Ų55.870%0.70133%0.325SS*.THydrogen-bonded Turntrans-67-22177.8-70.1-30.2000111.9S447 G453S447-D451 WeakPolarHBondContact O-CB 3.4Å; S447-D451 PolarHBondContact O-N 3.48Å; D451-G453 PolarHBondContact O-N 3.14Å
452K87.7Confident88.8Confident118 Ų11856.7 Ų56.751%0.51333%0.329SS..THydrogen-bonded Turntrans-69.1-5.6168.6-60.2176-175.5-177.30113.6T450 H485T450-K452 PolarHBondContact O-N 3.24Å; K452-H485 VanDerWaalsContact CB-CE1 3.45Å; K452-H485 WeakPolarHBondContact CB-CE1 3.38Å; K452-H485 WeakPolarHBondContact CB-NE2 3.28Å; K452-H485 HydrophobicContact CD-CB 3.82Å; K452-H485 WeakPolarHBondContact CD-ND1 3.23Å; K452-H485 PolarHBondContact NZ-O 2.89Å
453G89.1Confident88.5Confident37 Ų3761.4 Ų61.438%0.38135%0.354SS..  trans78.4-166.9178.700000114.6T450 D451 H485T450-G453 PolarHBondContact O-N 3.33Å; D451-G453 PolarHBondContact O-N 3.14Å; G453-H485 PolarHBondContact O-CD2 3.22Å; G453-H485 PolarHBondContact O-NE2 3.47Å
454L89.6Confident88.1Confident84 Ų8462.2 Ų62.244%0.4436%0.356SS..SBendtrans-74.6135.3174.8-67177.2000110.3L459 Q477 R478 S481L454-L459 HydrophobicContact CB-CD2 3.87Å; L454-L459 HydrophobicContact CD1-CD2 4.34Å; L454-Q477 HydrophobicContact CD2-CB 4.28Å; L454-R478 HydrophobicContact CD2-CG 4.27Å; L454-S481 WeakPolarHBondContact CA-OG 3.35Å
455H91.3Very high88Confident34 Ų3461.6 Ų61.616%0.15734%0.337CS..  trans-75.3143178.3-165.5-95.7000110.6A457 F458 S481 A484 H485 A491H455-A457 VanDerWaalsContact ND1-CB 3.31Å; H455-A457 WeakPolarHBondContact ND1-CB 3.32Å; H455-A457 PolarHBondContact ND1-N 3.38Å; H455-A457 PolarHBondContact O-N 2.71Å; H455-A457 VanDerWaalsContact O-N 3.15Å; H455-F458 HydrophobicContact CB-CD2 4.31Å; H455-F458 PolarHBondContact O-N 3.29Å; H455-S481 PolarHBondContact N-OG 2.8Å; H455-A484 HydrophobicContact CB-CB 4.01Å; H455-H485 AromaticContact CD2-CE1 3.77Å; H455-H485 AromaticContact CD2-ND1 3.89Å; H455-A491 VanDerWaalsContact CE1-CB 3.41Å; H455-A491 WeakPolarHBondContact CE1-CB 3.25Å
456S85.3Confident87.7Confident32 Ų3266.1 Ų66.122%0.22437%0.365CS..G310 helixtrans-51.4-42.1-17654.60000112.6F458 L459S456-F458 PolarHBondContact O-N 3.29Å; S456-L459 PolarHBondContact O-N 2.89Å
457A85.4Confident87.5Confident20 Ų2066.6 Ų66.617%0.16537%0.369CS..G310 helixtrans-42.7-34.4172.600000115.8H455 A491H455-A457 VanDerWaalsContact ND1-CB 3.31Å; H455-A457 WeakPolarHBondContact ND1-CB 3.32Å; H455-A457 PolarHBondContact ND1-N 3.38Å; H455-A457 PolarHBondContact O-N 2.71Å; H455-A457 VanDerWaalsContact O-N 3.15Å; A457-A491 HydrophobicContact CB-CB 4.09Å
458F90.4Very high87.1Confident11 Ų1174.2 Ų74.25%0.04840%0.395CS..G310 helixtrans-119.17.3-165.7-57-53.9000114.2H455 S456 L461 Q477 L480 A484 F490H455-F458 HydrophobicContact CB-CD2 4.31Å; H455-F458 PolarHBondContact O-N 3.29Å; S456-F458 PolarHBondContact O-N 3.29Å; F458-L461 HydrophobicContact CB-CB 4.35Å; F458-L461 HydrophobicContact CD1-CD1 4Å; F458-L461 VanDerWaalsContact O-CB 3.31Å; F458-L461 WeakPolarHBondContact O-CB 3.32Å; F458-L461 PolarHBondContact O-N 2.98Å; F458-Q477 PolarHBondContact O-NE2 3.27Å; F458-L480 HydrophobicContact CD1-CB 4.23Å; F458-L480 HydrophobicContact CD1-CD1 4.04Å; F458-L480 HydrophobicContact CD2-CB 3.62Å; F458-L480 HydrophobicContact CE1-CB 4.21Å; F458-L480 HydrophobicContact CE1-CD1 4.05Å; F458-L480 HydrophobicContact CE2-CB 3.61Å; F458-L480 WeakPolarHBondContact CE2-O 3.49Å; F458-L480 HydrophobicContact CG-CB 3.95Å; F458-L480 HydrophobicContact CG-CD1 4.44Å; F458-L480 HydrophobicContact CZ-CB 3.9Å; F458-L480 HydrophobicContact CZ-CD1 4.46Å; F458-L480 HydrophobicContact CZ-CD2 4.37Å; F458-L480 HydrophobicContact CZ-CG 4.49Å; F458-A484 HydrophobicContact CE2-CB 3.96Å; F458-F490 VanDerWaalsContact CZ-O 3.27Å; F458-F490 WeakPolarHBondContact CZ-O 3.04Å
459L84.4Confident87Confident90 Ų9073.3 Ų73.347%0.47139%0.389SS..THydrogen-bonded Turntrans-61.4-50.1173.4-62.9175.6000110.8L454 S456 L461 Q477L454-L459 HydrophobicContact CB-CD2 3.87Å; L454-L459 HydrophobicContact CD1-CD2 4.34Å; S456-L459 PolarHBondContact O-N 2.89Å; L459-L461 VanDerWaalsContact C-N 3.33Å; L459-L461 PolarHBondContact O-N 3.42Å; L459-Q477 PolarHBondContact O-NE2 2.98Å
460T82Confident86.9Confident87 Ų8778.6 Ų78.653%0.53441%0.412SS..THydrogen-bonded Turntrans-90.616.4177.849.50000113.6Q462 D463T460-Q462 PolarHBondContact O-N 2.8Å; T460-D463 WeakPolarHBondContact CA-OD2 3.47Å; T460-D463 VanDerWaalsContact CB-OD2 3.28Å; T460-D463 WeakPolarHBondContact CB-OD2 3.34Å; T460-D463 PolarHBondContact O-N 2.98Å
461L85.9Confident86.7Confident10 Ų1081.6 Ų81.65%0.05242%0.421CS..Hα-helixtrans-53.9-33.1179.7-17872.5000112.3F458 L459 D463 K464 Y465 L476 Q477 L480 P497F458-L461 HydrophobicContact CB-CB 4.35Å; F458-L461 HydrophobicContact CD1-CD1 4Å; F458-L461 VanDerWaalsContact O-CB 3.31Å; F458-L461 WeakPolarHBondContact O-CB 3.32Å; F458-L461 PolarHBondContact O-N 2.98Å; L459-L461 VanDerWaalsContact C-N 3.33Å; L459-L461 PolarHBondContact O-N 3.42Å; L461-D463 PolarHBondContact O-N 3.09Å; L461-K464 PolarHBondContact O-N 3.27Å; L461-Y465 HydrophobicContact CD1-CD2 3.6Å; L461-Y465 HydrophobicContact CD1-CE2 4.25Å; L461-Y465 HydrophobicContact CD1-CG 4.44Å; L461-Y465 HydrophobicContact CG-CD2 4.45Å; L461-Y465 WeakPolarHBondContact O-CA 3.21Å; L461-Y465 WeakPolarHBondContact O-CB 3.5Å; L461-Y465 PolarHBondContact O-N 2.56Å; L461-L476 HydrophobicContact CD2-CD2 3.99Å; L461-L476 HydrophobicContact CD2-CG 4.06Å; L461-Q477 HydrophobicContact CB-CG 4.14Å; L461-Q477 HydrophobicContact CD2-CG 3.64Å; L461-L480 HydrophobicContact CD1-CD1 4.17Å; L461-L480 HydrophobicContact CD2-CD1 3.63Å; L461-P497 HydrophobicContact CD1-CB 4.27Å; L461-P497 HydrophobicContact CD1-CG 3.84Å
462Q85.3Confident86.7Confident91 Ų9176.1 Ų76.143%0.42539%0.392SS..Hα-helixtrans-63.3-27.3-179.778.3-173.76.600113.7T460 Y465 P466 Q473T460-Q462 PolarHBondContact O-N 2.8Å; Q462-Y465 CarbonylContact O-C 3.6Å; Q462-P466 WeakPolarHBondContact O-CA 3.28Å; Q462-Q473 VanDerWaalsContact CB-NE2 3.28Å
463D84.9Confident86.8Confident108 Ų10871.1 Ų71.158%0.57837%0.37SS*.Hα-helixtrans-85-32-174.4-47.1-56.7000110.2T460 L461T460-D463 WeakPolarHBondContact CA-OD2 3.47Å; T460-D463 VanDerWaalsContact CB-OD2 3.28Å; T460-D463 WeakPolarHBondContact CB-OD2 3.34Å; T460-D463 PolarHBondContact O-N 2.98Å; L461-D463 PolarHBondContact O-N 3.09Å
464K83Confident86.8Confident138 Ų13877.1 Ų77.160%0.638%0.381SS*.Hα-helixtrans-78.7-37.8167.8-71.5-167.8171.4-168.90112.8L461 E494L461-K464 PolarHBondContact O-N 3.27Å; K464-E494 IonicContact NZ-OE1 2.66Å; K464-E494 PolarHBondContact NZ-OE1 3.36Å
465Y85.8Confident86.9Confident69 Ų6974 Ų7427%0.27137%0.37SS..SBendtrans-130.582.5-172.8-65.5-81.1000111.7L461 Q462 I467 E494 P497 L498L461-Y465 HydrophobicContact CD1-CD2 3.6Å; L461-Y465 HydrophobicContact CD1-CE2 4.25Å; L461-Y465 HydrophobicContact CD1-CG 4.44Å; L461-Y465 HydrophobicContact CG-CD2 4.45Å; L461-Y465 WeakPolarHBondContact O-CA 3.21Å; L461-Y465 WeakPolarHBondContact O-CB 3.5Å; L461-Y465 PolarHBondContact O-N 2.56Å; Q462-Y465 CarbonylContact O-C 3.6Å; Y465-I467 PolarHBondContact O-N 3.05Å; Y465-E494 PolarHBondContact OH-O 2.96Å; Y465-P497 HydrophobicContact CD2-CB 4.23Å; Y465-P497 HydrophobicContact CD2-CG 4.24Å; Y465-P497 HydrophobicContact CE2-CB 4.05Å; Y465-P497 HydrophobicContact CE2-CG 3.79Å; Y465-L498 HydrophobicContact CE1-CD2 3.9Å; Y465-L498 HydrophobicContact CE1-CG 4.37Å
466P84.2Confident87Confident112 Ų11272.5 Ų72.573%0.72736%0.363SS*.  trans-74.787.7-172.328.6-35.7000113.7Q462Q462-P466 WeakPolarHBondContact O-CA 3.28Å
467I87.4Confident87.4Confident32 Ų3271.7 Ų71.716%0.16436%0.356CS..  trans-86.1113.9178.8-64.9166.6000111.1Y465 S469 L472 Q473 L476 F501Y465-I467 PolarHBondContact O-N 3.05Å; I467-S469 PolarHBondContact O-N 3.06Å; I467-L472 HydrophobicContact CG2-CB 4.09Å; I467-L472 HydrophobicContact CG2-CD2 4.03Å; I467-L472 HydrophobicContact CG2-CG 4.19Å; I467-Q473 HydrophobicContact CB-CB 4.26Å; I467-Q473 HydrophobicContact CG2-CB 4.35Å; I467-L476 HydrophobicContact CD1-CD2 3.48Å; I467-L476 VanDerWaalsContact CD1-CD2 3.48Å; I467-F501 HydrophobicContact CD1-CD2 4.15Å; I467-F501 HydrophobicContact CD1-CE2 3.95Å; I467-F501 HydrophobicContact CG1-CE2 4.3Å
468K83.4Confident87.7Confident216 Ų21677.9 Ų77.994%0.93938%0.375SS*.SBendtrans-56.8-14.8-179.5-64.5-175179.3-1790116.2
469S90.3Very high87.9Confident53 Ų5377.4 Ų77.437%0.37137%0.373SS..  trans-110.6106.8179.1173.50000110.8I467 K471 L472 Q473I467-S469 PolarHBondContact O-N 3.06Å; S469-K471 PolarHBondContact O-N 2.69Å; S469-L472 WeakPolarHBondContact O-CB 3.49Å; S469-L472 PolarHBondContact O-N 3.43Å; S469-Q473 WeakPolarHBondContact O-CB 3.49Å; S469-Q473 PolarHBondContact O-N 3.37Å
470H87.3Confident88.4Confident125 Ų12573.1 Ų73.158%0.57935%0.35SS*.Hα-helixtrans-59.7-27.7178.8-65.2-50.1000113.9Q473 R474H470-Q473 PolarHBondContact ND1-OE1 3.29Å; H470-R474 WeakPolarHBondContact O-CB 3.2Å; H470-R474 VanDerWaalsContact O-CG 3.22Å; H470-R474 WeakPolarHBondContact O-CG 3.42Å; H470-R474 PolarHBondContact O-N 2.91Å
471K87.8Confident89.1Confident115 Ų11569.1 Ų69.150%0.533%0.326SS..Hα-helixtrans-65.5-45.8172.4-176.7-176173.8-173.40110.6S469 G475 Q508 N509S469-K471 PolarHBondContact O-N 2.69Å; K471-G475 PolarHBondContact O-N 2.63Å; K471-Q508 VanDerWaalsContact CE-O 3.28Å; K471-Q508 WeakPolarHBondContact CE-O 3.35Å; K471-N509 PolarHBondContact NZ-OD1 2.98Å
472L90.1Very high89.5Confident17 Ų1768.7 Ų68.79%0.08932%0.324CS..Hα-helixtrans-69.2-43.3-179.1-172.964.7000111.3I467 S469 G475 L476 F501 V504 K505 Q508I467-L472 HydrophobicContact CG2-CB 4.09Å; I467-L472 HydrophobicContact CG2-CD2 4.03Å; I467-L472 HydrophobicContact CG2-CG 4.19Å; S469-L472 WeakPolarHBondContact O-CB 3.49Å; S469-L472 PolarHBondContact O-N 3.43Å; L472-G475 PolarHBondContact O-N 2.97Å; L472-L476 PolarHBondContact O-N 3.01Å; L472-F501 HydrophobicContact CD2-CE2 3.57Å; L472-F501 HydrophobicContact CD2-CZ 3.99Å; L472-F501 HydrophobicContact CG-CE2 4.14Å; L472-V504 HydrophobicContact CD1-CG1 3.94Å; L472-K505 HydrophobicContact CD1-CB 4.21Å; L472-Q508 HydrophobicContact CD1-CG 3.9Å
473Q89.9Confident89.9Confident13 Ų1364.4 Ų64.46%0.06130%0.304CS..Hα-helixtrans-53.6-54.3172.5-178.5-162.1-12.800111.7Q462 I467 S469 H470 G475 L476 Q477Q462-Q473 VanDerWaalsContact CB-NE2 3.28Å; I467-Q473 HydrophobicContact CB-CB 4.26Å; I467-Q473 HydrophobicContact CG2-CB 4.35Å; S469-Q473 WeakPolarHBondContact O-CB 3.49Å; S469-Q473 PolarHBondContact O-N 3.37Å; H470-Q473 PolarHBondContact ND1-OE1 3.29Å; Q473-G475 VanDerWaalsContact C-N 3.3Å; Q473-G475 PolarHBondContact O-N 3.09Å; Q473-L476 PolarHBondContact O-N 2.72Å; Q473-Q477 WeakPolarHBondContact O-CG 3.32Å; Q473-Q477 PolarHBondContact O-N 2.8Å
474R90.1Very high90.3Very high162 Ų16259.6 Ų59.661%0.61128%0.279SS*.Hα-helixtrans-65.1-33.2178.7-69.7173.7-171.4-178.84112.5H470 R478H470-R474 WeakPolarHBondContact O-CB 3.2Å; H470-R474 VanDerWaalsContact O-CG 3.22Å; H470-R474 WeakPolarHBondContact O-CG 3.42Å; H470-R474 PolarHBondContact O-N 2.91Å; R474-R478 WeakPolarHBondContact O-CB 3.39Å; R474-R478 VanDerWaalsContact O-CG 3.25Å; R474-R478 WeakPolarHBondContact O-CG 3.26Å; R474-R478 PolarHBondContact O-N 3.28Å; R474-R478 VanDerWaalsContact O-N 3.1Å
475G90.8Very high90.8Very high20 Ų2054.6 Ų54.621%0.20626%0.258CS..Hα-helixtrans-61.5-48.5172.100000111.8K471 L472 Q473 R478 V479K471-G475 PolarHBondContact O-N 2.63Å; L472-G475 PolarHBondContact O-N 2.97Å; Q473-G475 VanDerWaalsContact C-N 3.3Å; Q473-G475 PolarHBondContact O-N 3.09Å; G475-R478 PolarHBondContact O-N 2.75Å; G475-V479 WeakPolarHBondContact O-CG2 3.42Å; G475-V479 PolarHBondContact O-N 3.32Å
476L93.2Very high91.1Very high2 Ų252.8 Ų52.81%0.0125%0.251CS..Hα-helixtrans-62.6-49.7178-174.663.8000111.4L461 I467 L472 Q473 R478 V479 L480 S500 F501 V504L461-L476 HydrophobicContact CD2-CD2 3.99Å; L461-L476 HydrophobicContact CD2-CG 4.06Å; I467-L476 HydrophobicContact CD1-CD2 3.48Å; I467-L476 VanDerWaalsContact CD1-CD2 3.48Å; L472-L476 PolarHBondContact O-N 3.01Å; Q473-L476 PolarHBondContact O-N 2.72Å; L476-R478 VanDerWaalsContact C-N 3.27Å; L476-R478 PolarHBondContact O-N 2.91Å; L476-V479 PolarHBondContact O-N 3.47Å; L476-L480 HydrophobicContact CD1-CD1 3.92Å; L476-L480 HydrophobicContact CD1-CG 4.06Å; L476-L480 HydrophobicContact CD2-CD1 4.4Å; L476-L480 HydrophobicContact CG-CD1 3.71Å; L476-L480 HydrophobicContact CG-CG 4.26Å; L476-L480 WeakPolarHBondContact O-CB 3.36Å; L476-L480 WeakPolarHBondContact O-CG 3.49Å; L476-L480 PolarHBondContact O-N 3.01Å; L476-S500 WeakPolarHBondContact CD1-OG 3.18Å; L476-F501 HydrophobicContact CD2-CD2 4.39Å; L476-V504 HydrophobicContact CB-CG1 4.11Å; L476-V504 HydrophobicContact CD1-CB 4.34Å; L476-V504 HydrophobicContact CD1-CG2 3.91Å
477Q93.3Very high91.5Very high15 Ų1547.9 Ų47.97%0.0722%0.22CC..Hα-helixtrans-56.4-38.6176.9-72.5178-63.600112.7L454 F458 L459 L461 Q473 S481L454-Q477 HydrophobicContact CD2-CB 4.28Å; F458-Q477 PolarHBondContact O-NE2 3.27Å; L459-Q477 PolarHBondContact O-NE2 2.98Å; L461-Q477 HydrophobicContact CB-CG 4.14Å; L461-Q477 HydrophobicContact CD2-CG 3.64Å; Q473-Q477 WeakPolarHBondContact O-CG 3.32Å; Q473-Q477 PolarHBondContact O-N 2.8Å; Q477-S481 WeakPolarHBondContact O-CB 3.3Å; Q477-S481 PolarHBondContact O-N 2.84Å; Q477-S481 PolarHBondContact O-OG 3.08Å
478R93.1Very high91.5Very high150 Ų15048.3 Ų48.357%0.56623%0.228SC*.Hα-helixtrans-69.7-46.3177-76.4172.8174.6-170.5-3.8112.7L454 R474 G475 L476 S481 A482L454-R478 HydrophobicContact CD2-CG 4.27Å; R474-R478 WeakPolarHBondContact O-CB 3.39Å; R474-R478 VanDerWaalsContact O-CG 3.25Å; R474-R478 WeakPolarHBondContact O-CG 3.26Å; R474-R478 PolarHBondContact O-N 3.28Å; R474-R478 VanDerWaalsContact O-N 3.1Å; G475-R478 PolarHBondContact O-N 2.75Å; L476-R478 VanDerWaalsContact C-N 3.27Å; L476-R478 PolarHBondContact O-N 2.91Å; R478-S481 PolarHBondContact O-N 2.85Å; R478-A482 WeakPolarHBondContact O-CB 3.46Å; R478-A482 PolarHBondContact O-N 2.82Å
479V94.5Very high91.8Very high1 Ų138 Ų381%0.00618%0.183CC..Hα-helixtrans-65.7-44.8178.9172.10000110.8G475 L476 A482 L483 V504 P511 C514 F515G475-V479 WeakPolarHBondContact O-CG2 3.42Å; G475-V479 PolarHBondContact O-N 3.32Å; L476-V479 PolarHBondContact O-N 3.47Å; V479-A482 PolarHBondContact O-N 2.9Å; V479-L483 HydrophobicContact CG1-CD1 4.21Å; V479-L483 WeakPolarHBondContact O-CG 3.44Å; V479-L483 PolarHBondContact O-N 2.99Å; V479-V504 HydrophobicContact CB-CG2 4.17Å; V479-V504 HydrophobicContact CG1-CG2 4.26Å; V479-V504 HydrophobicContact CG2-CG2 4.24Å; V479-P511 HydrophobicContact CG2-CB 4.21Å; V479-C514 HydrophobicContact CG2-CB 4.14Å; V479-F515 HydrophobicContact CG1-CB 4.45Å
480L95.2Very high91.9Very high0 Ų035.5 Ų35.50%017%0.166CC..Hα-helixtrans-62.3-42.5174.9-71.1174.5000112.6F458 L461 L476 A482 L483 A484 L496 P497 S500F458-L480 HydrophobicContact CD1-CB 4.23Å; F458-L480 HydrophobicContact CD1-CD1 4.04Å; F458-L480 HydrophobicContact CD2-CB 3.62Å; F458-L480 HydrophobicContact CE1-CB 4.21Å; F458-L480 HydrophobicContact CE1-CD1 4.05Å; F458-L480 HydrophobicContact CE2-CB 3.61Å; F458-L480 WeakPolarHBondContact CE2-O 3.49Å; F458-L480 HydrophobicContact CG-CB 3.95Å; F458-L480 HydrophobicContact CG-CD1 4.44Å; F458-L480 HydrophobicContact CZ-CB 3.9Å; F458-L480 HydrophobicContact CZ-CD1 4.46Å; F458-L480 HydrophobicContact CZ-CD2 4.37Å; F458-L480 HydrophobicContact CZ-CG 4.49Å; L461-L480 HydrophobicContact CD1-CD1 4.17Å; L461-L480 HydrophobicContact CD2-CD1 3.63Å; L476-L480 HydrophobicContact CD1-CD1 3.92Å; L476-L480 HydrophobicContact CD1-CG 4.06Å; L476-L480 HydrophobicContact CD2-CD1 4.4Å; L476-L480 HydrophobicContact CG-CD1 3.71Å; L476-L480 HydrophobicContact CG-CG 4.26Å; L476-L480 WeakPolarHBondContact O-CB 3.36Å; L476-L480 WeakPolarHBondContact O-CG 3.49Å; L476-L480 PolarHBondContact O-N 3.01Å; L480-A482 PolarHBondContact O-N 3.32Å; L480-L483 PolarHBondContact O-N 2.84Å; L480-A484 PolarHBondContact O-N 3.01Å; L480-L496 HydrophobicContact CD2-CB 4.21Å; L480-L496 HydrophobicContact CD2-CD2 3.75Å; L480-L496 HydrophobicContact CD2-CG 3.62Å; L480-P497 HydrophobicContact CD1-CB 4.09Å; L480-P497 HydrophobicContact CD1-CG 3.91Å; L480-S500 WeakPolarHBondContact CD2-OG 3.36Å
481S95.1Very high92Very high3 Ų329.9 Ų29.92%0.02114%0.141CC..Hα-helixtrans-62.2-42.3175.3-62.50000112L454 H455 Q477 R478 L483 A484 H485L454-S481 WeakPolarHBondContact CA-OG 3.35Å; H455-S481 PolarHBondContact N-OG 2.8Å; Q477-S481 WeakPolarHBondContact O-CB 3.3Å; Q477-S481 PolarHBondContact O-N 2.84Å; Q477-S481 PolarHBondContact O-OG 3.08Å; R478-S481 PolarHBondContact O-N 2.85Å; S481-L483 VanDerWaalsContact C-N 3.29Å; S481-L483 PolarHBondContact O-N 3.17Å; S481-A484 PolarHBondContact O-N 2.82Å; S481-H485 VanDerWaalsContact O-CB 3.3Å; S481-H485 WeakPolarHBondContact O-CB 2.99Å; S481-H485 PolarHBondContact O-CD2 3Å; S481-H485 VanDerWaalsContact O-CG 3.27Å; S481-H485 PolarHBondContact O-N 2.91Å
482A94.5Very high92.1Very high1 Ų125.4 Ų25.41%0.00812%0.122CC..Hα-helixtrans-63.5-33.9175.900000112.4Y446 L449 R478 V479 L480 W486 F515Y446-A482 HydrophobicContact CE2-CB 3.93Å; L449-A482 HydrophobicContact CB-CB 4.34Å; R478-A482 WeakPolarHBondContact O-CB 3.46Å; R478-A482 PolarHBondContact O-N 2.82Å; V479-A482 PolarHBondContact O-N 2.9Å; L480-A482 PolarHBondContact O-N 3.32Å; A482-W486 WeakPolarHBondContact O-CB 3.03Å; A482-W486 PolarHBondContact O-N 3.36Å; A482-W486 VanDerWaalsContact O-N 3.16Å; A482-F515 HydrophobicContact CB-CD2 3.64Å; A482-F515 HydrophobicContact CB-CE2 3.8Å
483L94.9Very high92Very high0 Ų024.8 Ų24.80%012%0.118CC..Hα-helixtrans-68.2-49.5173.8-69164.6000111.4V479 L480 S481 H485 W486 A487 F490 L496 F515 V518 I522V479-L483 HydrophobicContact CG1-CD1 4.21Å; V479-L483 WeakPolarHBondContact O-CG 3.44Å; V479-L483 PolarHBondContact O-N 2.99Å; L480-L483 PolarHBondContact O-N 2.84Å; S481-L483 VanDerWaalsContact C-N 3.29Å; S481-L483 PolarHBondContact O-N 3.17Å; L483-H485 PolarHBondContact O-N 3.16Å; L483-W486 HydrophobicContact CD2-CE3 3.85Å; L483-W486 HydrophobicContact CD2-CZ3 4.09Å; L483-W486 WeakPolarHBondContact O-CA 3.41Å; L483-W486 WeakPolarHBondContact O-CB 3.43Å; L483-W486 PolarHBondContact O-N 3.22Å; L483-A487 PolarHBondContact O-N 2.86Å; L483-F490 HydrophobicContact CB-CB 3.99Å; L483-F490 HydrophobicContact CB-CD2 4.28Å; L483-F490 HydrophobicContact CB-CG 4.26Å; L483-F490 WeakPolarHBondContact O-CD2 3.43Å; L483-L496 HydrophobicContact CB-CD2 4.42Å; L483-L496 HydrophobicContact CD1-CD2 4.28Å; L483-F515 HydrophobicContact CD2-CD2 3.93Å; L483-F515 HydrophobicContact CD2-CE2 3.61Å; L483-F515 HydrophobicContact CD2-CZ 4.39Å; L483-F515 HydrophobicContact CG-CD2 3.97Å; L483-F515 HydrophobicContact CG-CE2 3.89Å; L483-V518 HydrophobicContact CD1-CG1 3.76Å; L483-V518 HydrophobicContact CD2-CG1 4.49Å; L483-I522 HydrophobicContact CD2-CD1 4.29Å
484A93.3Very high91.9Very high8 Ų830.3 Ų30.37%0.06614%0.144CC..Hα-helixtrans-58.9-35174.500000113.1H455 F458 L480 S481 W486 A487 A491H455-A484 HydrophobicContact CB-CB 4.01Å; F458-A484 HydrophobicContact CE2-CB 3.96Å; L480-A484 PolarHBondContact O-N 3.01Å; S481-A484 PolarHBondContact O-N 2.82Å; A484-W486 VanDerWaalsContact C-N 3.26Å; A484-W486 PolarHBondContact O-N 3.27Å; A484-A487 CarbonylContact O-C 3.49Å; A484-A491 HydrophobicContact CB-CB 3.94Å
485H92.7Very high91.8Very high32 Ų3224 Ų2415%0.14812%0.121CC..THydrogen-bonded Turntrans-73.6-13.5174.3-77.1-44.8000114.5L449 K452 G453 H455 S481 L483L449-H485 HydrophobicContact CD2-CB 4.01Å; L449-H485 VanDerWaalsContact CD2-O 3.25Å; L449-H485 WeakPolarHBondContact CD2-O 3.35Å; L449-H485 PolarHBondContact O-CD2 2.83Å; L449-H485 VanDerWaalsContact O-CD2 3.28Å; K452-H485 VanDerWaalsContact CB-CE1 3.45Å; K452-H485 WeakPolarHBondContact CB-CE1 3.38Å; K452-H485 WeakPolarHBondContact CB-NE2 3.28Å; K452-H485 HydrophobicContact CD-CB 3.82Å; K452-H485 WeakPolarHBondContact CD-ND1 3.23Å; K452-H485 PolarHBondContact NZ-O 2.89Å; G453-H485 PolarHBondContact O-CD2 3.22Å; G453-H485 PolarHBondContact O-NE2 3.47Å; H455-H485 AromaticContact CD2-CE1 3.77Å; H455-H485 AromaticContact CD2-ND1 3.89Å; S481-H485 VanDerWaalsContact O-CB 3.3Å; S481-H485 WeakPolarHBondContact O-CB 2.99Å; S481-H485 PolarHBondContact O-CD2 3Å; S481-H485 VanDerWaalsContact O-CG 3.27Å; S481-H485 PolarHBondContact O-N 2.91Å; L483-H485 PolarHBondContact O-N 3.16Å
486W93.2Very high91.9Very high32 Ų3223.1 Ų23.112%0.12111%0.111CC..THydrogen-bonded Turntrans-94.3-42.5177.7172.243.8000111.6L449 A482 L483 A484 F490 F515 A519 V523 P674 F676L449-W486 HydrophobicContact CD1-CB 4.05Å; L449-W486 HydrophobicContact CD2-CB 4.14Å; A482-W486 WeakPolarHBondContact O-CB 3.03Å; A482-W486 PolarHBondContact O-N 3.36Å; A482-W486 VanDerWaalsContact O-N 3.16Å; L483-W486 HydrophobicContact CD2-CE3 3.85Å; L483-W486 HydrophobicContact CD2-CZ3 4.09Å; L483-W486 WeakPolarHBondContact O-CA 3.41Å; L483-W486 WeakPolarHBondContact O-CB 3.43Å; L483-W486 PolarHBondContact O-N 3.22Å; A484-W486 VanDerWaalsContact C-N 3.26Å; A484-W486 PolarHBondContact O-N 3.27Å; W486-F490 HydrophobicContact CE3-CD2 4.19Å; W486-F490 AromaticContact CE3-CE2 3.73Å; W486-F490 HydrophobicContact CE3-CE2 3.73Å; W486-F490 AromaticContact CZ3-CE2 3.76Å; W486-F490 HydrophobicContact CZ3-CE2 3.76Å; W486-F490 HydrophobicContact CZ3-CZ 4.34Å; W486-F515 HydrophobicContact CB-CZ 4.31Å; W486-F515 HydrophobicContact CD2-CZ 4.33Å; W486-F515 HydrophobicContact CE3-CZ 4.3Å; W486-F515 HydrophobicContact CG-CZ 4.36Å; W486-A519 HydrophobicContact CE3-CB 4.4Å; W486-A519 HydrophobicContact CH2-CB 3.91Å; W486-A519 HydrophobicContact CZ3-CB 3.72Å; W486-V523 HydrophobicContact CH2-CG2 3.94Å; W486-V523 HydrophobicContact CZ2-CG2 4.48Å; W486-P674 HydrophobicContact CZ2-CG 4.39Å; W486-P674 PolarHBondContact NE1-O 2.72Å; W486-F676 HydrophobicContact CH2-CB 4.37Å; W486-F676 HydrophobicContact CZ2-CB 4.09Å
487A91Very high91.9Very high9 Ų923.3 Ų23.37%0.07411%0.113CC..  trans-147138.3167.100000111.6L483 A484 I489 F490 F676 Y679L483-A487 PolarHBondContact O-N 2.86Å; A484-A487 CarbonylContact O-C 3.49Å; A487-I489 VanDerWaalsContact C-N 3.28Å; A487-I489 PolarHBondContact O-N 3.28Å; A487-F490 HydrophobicContact CB-CD2 3.85Å; A487-F490 HydrophobicContact CB-CE2 3.78Å; A487-F490 PolarHBondContact O-N 2.87Å; A487-F490 VanDerWaalsContact O-N 3.14Å; A487-F676 HydrophobicContact CB-CB 4.11Å; A487-F676 HydrophobicContact CB-CD1 4.26Å; A487-Y679 HydrophobicContact CB-CE1 4.25Å
488A87.5Confident91.8Very high41 Ų4125.3 Ų25.334%0.33912%0.124SC..G310 helixtrans-61.5-32.1-168.100000113.7F490 A491 V684A488-F490 PolarHBondContact O-N 3.42Å; A488-F490 VanDerWaalsContact O-N 3.14Å; A488-A491 VanDerWaalsContact O-CB 3.29Å; A488-A491 WeakPolarHBondContact O-CB 3.4Å; A488-A491 PolarHBondContact O-N 3.04Å; A488-V684 HydrophobicContact CB-CG1 3.78Å
489I90.4Very high91.8Very high0 Ų018.3 Ų18.30%010%0.097CC..G310 helixtrans-57.1-32.2179.2-174.2156.7000112.8A487 A491 E492 V493 F530 F533 F676 Y679 V684A487-I489 VanDerWaalsContact C-N 3.28Å; A487-I489 PolarHBondContact O-N 3.28Å; I489-A491 PolarHBondContact O-N 3.05Å; I489-A491 VanDerWaalsContact O-N 3.09Å; I489-E492 PolarHBondContact O-N 3.46Å; I489-V493 HydrophobicContact CD1-CG2 4.35Å; I489-V493 HydrophobicContact CG1-CG2 3.65Å; I489-V493 WeakPolarHBondContact O-CG2 3.48Å; I489-V493 PolarHBondContact O-N 3.41Å; I489-V493 VanDerWaalsContact O-N 3.12Å; I489-F530 HydrophobicContact CD1-CB 3.75Å; I489-F530 HydrophobicContact CD1-CD1 3.9Å; I489-F530 HydrophobicContact CD1-CG 4.13Å; I489-F530 HydrophobicContact CG1-CD1 4.4Å; I489-F533 HydrophobicContact CD1-CB 4.01Å; I489-F533 HydrophobicContact CD1-CD1 4.03Å; I489-F533 HydrophobicContact CD1-CD2 4.14Å; I489-F533 HydrophobicContact CD1-CG 3.77Å; I489-F533 HydrophobicContact CG1-CD1 4.49Å; I489-F533 HydrophobicContact CG1-CG 4.46Å; I489-F676 HydrophobicContact CG2-CD1 4.44Å; I489-F676 HydrophobicContact CG2-CE1 4.34Å; I489-Y679 HydrophobicContact CB-CD1 3.86Å; I489-Y679 HydrophobicContact CB-CD2 4.08Å; I489-Y679 HydrophobicContact CB-CE1 3.88Å; I489-Y679 HydrophobicContact CB-CE2 4.14Å; I489-Y679 HydrophobicContact CB-CG 3.95Å; I489-Y679 HydrophobicContact CD1-CD1 4.13Å; I489-Y679 HydrophobicContact CD1-CD2 4.13Å; I489-Y679 HydrophobicContact CD1-CG 3.65Å; I489-Y679 HydrophobicContact CG1-CG 4.41Å; I489-Y679 HydrophobicContact CG2-CD1 3.44Å; I489-Y679 VanDerWaalsContact CG2-CD1 3.44Å; I489-Y679 HydrophobicContact CG2-CE1 3.4Å; I489-Y679 VanDerWaalsContact CG2-CE1 3.4Å; I489-Y679 HydrophobicContact CG2-CG 4.04Å; I489-V684 HydrophobicContact CB-CG1 4.22Å; I489-V684 HydrophobicContact CB-CG2 3.98Å; I489-V684 HydrophobicContact CD1-CG2 4.05Å; I489-V684 HydrophobicContact CG1-CG2 3.99Å
490F92.5Very high91.8Very high0 Ų018.2 Ų18.20%010%0.097CC..G310 helixtrans-70.2-5179.9-58.4-47.7000113.3F458 L483 W486 A487 A488 L496 I522 F530 F676F458-F490 VanDerWaalsContact CZ-O 3.27Å; F458-F490 WeakPolarHBondContact CZ-O 3.04Å; L483-F490 HydrophobicContact CB-CB 3.99Å; L483-F490 HydrophobicContact CB-CD2 4.28Å; L483-F490 HydrophobicContact CB-CG 4.26Å; L483-F490 WeakPolarHBondContact O-CD2 3.43Å; W486-F490 HydrophobicContact CE3-CD2 4.19Å; W486-F490 AromaticContact CE3-CE2 3.73Å; W486-F490 HydrophobicContact CE3-CE2 3.73Å; W486-F490 AromaticContact CZ3-CE2 3.76Å; W486-F490 HydrophobicContact CZ3-CE2 3.76Å; W486-F490 HydrophobicContact CZ3-CZ 4.34Å; A487-F490 HydrophobicContact CB-CD2 3.85Å; A487-F490 HydrophobicContact CB-CE2 3.78Å; A487-F490 PolarHBondContact O-N 2.87Å; A487-F490 VanDerWaalsContact O-N 3.14Å; A488-F490 PolarHBondContact O-N 3.42Å; A488-F490 VanDerWaalsContact O-N 3.14Å; F490-L496 HydrophobicContact CB-CD2 3.62Å; F490-L496 HydrophobicContact CD1-CD1 4.27Å; F490-L496 HydrophobicContact CD1-CD2 4.03Å; F490-L496 HydrophobicContact CG-CD2 4.15Å; F490-L496 WeakPolarHBondContact O-CD2 3.39Å; F490-I522 HydrophobicContact CE1-CD1 4.17Å; F490-I522 HydrophobicContact CE1-CG2 3.99Å; F490-I522 HydrophobicContact CZ-CD1 4.39Å; F490-I522 HydrophobicContact CZ-CG2 3.69Å; F490-F530 HydrophobicContact CE1-CE1 4.24Å; F490-F530 HydrophobicContact CE1-CE2 4.33Å; F490-F530 AromaticContact CE1-CZ 3.94Å; F490-F530 HydrophobicContact CE1-CZ 3.94Å; F490-F676 HydrophobicContact CE1-CE1 4.25Å; F490-F676 AromaticContact CE2-CD1 3.91Å; F490-F676 HydrophobicContact CE2-CD1 3.91Å; F490-F676 HydrophobicContact CE2-CE1 4.33Å; F490-F676 HydrophobicContact CE2-CG 4.34Å; F490-F676 AromaticContact CZ-CD1 3.6Å; F490-F676 HydrophobicContact CZ-CD1 3.6Å; F490-F676 AromaticContact CZ-CE1 3.57Å; F490-F676 HydrophobicContact CZ-CE1 3.57Å; F490-F676 HydrophobicContact CZ-CG 4.19Å; F490-F676 HydrophobicContact CZ-CZ 4.13Å
491A89.5Confident91.8Very high7 Ų720.9 Ų20.96%0.05811%0.109CC..G310 helixtrans-83.3-26.2165.300000113.6H455 A457 A484 A488 I489 R691H455-A491 VanDerWaalsContact CE1-CB 3.41Å; H455-A491 WeakPolarHBondContact CE1-CB 3.25Å; A457-A491 HydrophobicContact CB-CB 4.09Å; A484-A491 HydrophobicContact CB-CB 3.94Å; A488-A491 VanDerWaalsContact O-CB 3.29Å; A488-A491 WeakPolarHBondContact O-CB 3.4Å; A488-A491 PolarHBondContact O-N 3.04Å; I489-A491 PolarHBondContact O-N 3.05Å; I489-A491 VanDerWaalsContact O-N 3.09Å; A491-R691 PolarHBondContact O-NH1 3.45Å; A491-R691 PolarHBondContact O-NH2 3.09Å
492E88.5Confident91.7Very high21 Ų2121.2 Ų21.210%0.09811%0.11CC..THydrogen-bonded Turntrans-102-20.8-171.5-53-51.5120.700113.1I489 E494 F533 V684 Q687 R691I489-E492 PolarHBondContact O-N 3.46Å; E492-E494 PolarHBondContact O-N 3.15Å; E492-F533 HydrophobicContact CB-CE1 4.13Å; E492-F533 HydrophobicContact CB-CZ 3.78Å; E492-V684 HydrophobicContact CG-CG1 4.42Å; E492-Q687 HydrophobicContact CG-CB 4.1Å; E492-Q687 WeakPolarHBondContact OE2-CB 3.45Å; E492-R691 IonicContact OE1-CZ 3.69Å; E492-R691 IonicContact OE1-NE 3.8Å; E492-R691 PolarHBondContact OE1-NE 3.27Å; E492-R691 VanDerWaalsContact OE1-NE 3.16Å; E492-R691 IonicContact OE1-NH1 2.88Å; E492-R691 PolarHBondContact OE1-NH1 2.89Å; E492-R691 IonicContact OE1-NH2 2.69Å; E492-R691 PolarHBondContact OE1-NH2 3.24Å; E492-R691 VanDerWaalsContact OE1-NH2 3.13Å; E492-R691 IonicContact OE2-CZ 2.68Å; E492-R691 IonicContact OE2-NE 2.8Å; E492-R691 PolarHBondContact OE2-NE 2.87Å; E492-R691 IonicContact OE2-NH2 3.18Å; E492-R691 PolarHBondContact OE2-NH2 3.03Å
493V89.3Confident91.7Very high3 Ų321.1 Ų21.12%0.01811%0.11CC..  trans-73104.8-180176.30000112I489 Y495 L496 F530 F533I489-V493 HydrophobicContact CD1-CG2 4.35Å; I489-V493 HydrophobicContact CG1-CG2 3.65Å; I489-V493 WeakPolarHBondContact O-CG2 3.48Å; I489-V493 PolarHBondContact O-N 3.41Å; I489-V493 VanDerWaalsContact O-N 3.12Å; V493-Y495 VanDerWaalsContact C-N 3.33Å; V493-Y495 HydrophobicContact CG1-CD1 3.78Å; V493-Y495 HydrophobicContact CG1-CD2 3.67Å; V493-Y495 HydrophobicContact CG1-CE1 3.62Å; V493-Y495 HydrophobicContact CG1-CE2 3.48Å; V493-Y495 VanDerWaalsContact CG1-CE2 3.48Å; V493-Y495 HydrophobicContact CG1-CG 3.81Å; V493-Y495 VanDerWaalsContact CG1-CZ 3.46Å; V493-Y495 PolarHBondContact O-N 2.98Å; V493-L496 HydrophobicContact CB-CB 4.21Å; V493-L496 HydrophobicContact CG1-CB 3.96Å; V493-L496 WeakPolarHBondContact O-CB 3.26Å; V493-L496 PolarHBondContact O-N 2.89Å; V493-F530 HydrophobicContact CG1-CE1 4.34Å; V493-F530 HydrophobicContact CG2-CD1 4Å; V493-F530 HydrophobicContact CG2-CE1 3.9Å; V493-F533 HydrophobicContact CB-CE2 4.37Å; V493-F533 HydrophobicContact CG2-CD2 3.97Å; V493-F533 HydrophobicContact CG2-CE2 3.59Å; V493-F533 HydrophobicContact CG2-CZ 4.32Å
494E87Confident91.6Very high130 Ų13021.3 Ų21.361%0.60711%0.111SC*.THydrogen-bonded Turntrans-65.9-27.6-176.3-63.5-148113.100114.9K464 Y465 E492 P497K464-E494 IonicContact NZ-OE1 2.66Å; K464-E494 PolarHBondContact NZ-OE1 3.36Å; Y465-E494 PolarHBondContact OH-O 2.96Å; E492-E494 PolarHBondContact O-N 3.15Å; E494-P497 VanDerWaalsContact O-CD 3.23Å; E494-P497 WeakPolarHBondContact O-CD 3.3Å
495Y88.8Confident91.6Very high29 Ų2926.3 Ų26.311%0.11413%0.131CC..THydrogen-bonded Turntrans-85.9-6179.160.2-101.8000114.2V493 P497 L498 L499 W529 F530 W571V493-Y495 VanDerWaalsContact C-N 3.33Å; V493-Y495 HydrophobicContact CG1-CD1 3.78Å; V493-Y495 HydrophobicContact CG1-CD2 3.67Å; V493-Y495 HydrophobicContact CG1-CE1 3.62Å; V493-Y495 HydrophobicContact CG1-CE2 3.48Å; V493-Y495 VanDerWaalsContact CG1-CE2 3.48Å; V493-Y495 HydrophobicContact CG1-CG 3.81Å; V493-Y495 VanDerWaalsContact CG1-CZ 3.46Å; V493-Y495 PolarHBondContact O-N 2.98Å; Y495-P497 VanDerWaalsContact C-CD 3.41Å; Y495-L498 WeakPolarHBondContact O-CB 3.37Å; Y495-L498 PolarHBondContact O-N 2.88Å; Y495-L499 PolarHBondContact O-N 3.35Å; Y495-L499 VanDerWaalsContact O-N 3.16Å; Y495-W529 HydrophobicContact CE2-CE3 4.27Å; Y495-W529 HydrophobicContact CE2-CZ3 4.49Å; Y495-F530 HydrophobicContact CE2-CE1 4.41Å; Y495-F530 WeakPolarHBondContact OH-CE1 3.3Å; Y495-W571 AromaticContact CD1-CZ2 3.77Å; Y495-W571 HydrophobicContact CD1-CZ2 3.77Å; Y495-W571 HydrophobicContact CD2-CH2 4.3Å; Y495-W571 HydrophobicContact CD2-CZ2 4.06Å; Y495-W571 HydrophobicContact CE1-CH2 4.08Å; Y495-W571 AromaticContact CE1-CZ2 3.66Å; Y495-W571 HydrophobicContact CE1-CZ2 3.66Å; Y495-W571 AromaticContact CE2-CH2 3.85Å; Y495-W571 HydrophobicContact CE2-CH2 3.85Å; Y495-W571 AromaticContact CE2-CZ2 3.98Å; Y495-W571 HydrophobicContact CE2-CZ2 3.98Å; Y495-W571 AromaticContact CG-CZ2 3.96Å; Y495-W571 HydrophobicContact CG-CZ2 3.96Å; Y495-W571 AromaticContact CZ-CH2 3.72Å; Y495-W571 AromaticContact CZ-CZ2 3.77Å
496L92.1Very high91.4Very high1 Ų126.7 Ų26.71%0.00513%0.134CC..Hα-helixtrans-59.4-34.8180-169.468.2000114.1L480 L483 F490 V493 L498 L499 S500 I522L480-L496 HydrophobicContact CD2-CB 4.21Å; L480-L496 HydrophobicContact CD2-CD2 3.75Å; L480-L496 HydrophobicContact CD2-CG 3.62Å; L483-L496 HydrophobicContact CB-CD2 4.42Å; L483-L496 HydrophobicContact CD1-CD2 4.28Å; F490-L496 HydrophobicContact CB-CD2 3.62Å; F490-L496 HydrophobicContact CD1-CD1 4.27Å; F490-L496 HydrophobicContact CD1-CD2 4.03Å; F490-L496 HydrophobicContact CG-CD2 4.15Å; F490-L496 WeakPolarHBondContact O-CD2 3.39Å; V493-L496 HydrophobicContact CB-CB 4.21Å; V493-L496 HydrophobicContact CG1-CB 3.96Å; V493-L496 WeakPolarHBondContact O-CB 3.26Å; V493-L496 PolarHBondContact O-N 2.89Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 2.88Å; L496-L499 HydrophobicContact CD1-CD2 4.46Å; L496-S500 WeakPolarHBondContact O-CB 3.38Å; L496-S500 PolarHBondContact O-N 3.14Å; L496-S500 PolarHBondContact O-OG 3.18Å; L496-I522 HydrophobicContact CD1-CD1 4Å
497P93.6Very high91.2Very high7 Ų726.2 Ų26.25%0.04513%0.133CC..Hα-helixtrans-60.4-38.2170.5-23.535.8000113L461 Y465 L480 E494 Y495 S500 F501L461-P497 HydrophobicContact CD1-CB 4.27Å; L461-P497 HydrophobicContact CD1-CG 3.84Å; Y465-P497 HydrophobicContact CD2-CB 4.23Å; Y465-P497 HydrophobicContact CD2-CG 4.24Å; Y465-P497 HydrophobicContact CE2-CB 4.05Å; Y465-P497 HydrophobicContact CE2-CG 3.79Å; L480-P497 HydrophobicContact CD1-CB 4.09Å; L480-P497 HydrophobicContact CD1-CG 3.91Å; E494-P497 VanDerWaalsContact O-CD 3.23Å; E494-P497 WeakPolarHBondContact O-CD 3.3Å; Y495-P497 VanDerWaalsContact C-CD 3.41Å; P497-S500 PolarHBondContact O-OG 3.21Å; P497-F501 WeakPolarHBondContact O-CB 3.45Å; P497-F501 PolarHBondContact O-N 3.11Å
498L91.6Very high91Very high57 Ų5729.7 Ų29.730%0.29815%0.148SC..Hα-helixtrans-66.4-50.8179.2-58.4176.1000110.8Y465 Y495 L496 S500 F501 P502 E575Y465-L498 HydrophobicContact CE1-CD2 3.9Å; Y465-L498 HydrophobicContact CE1-CG 4.37Å; Y495-L498 WeakPolarHBondContact O-CB 3.37Å; Y495-L498 PolarHBondContact O-N 2.88Å; L496-L498 VanDerWaalsContact C-N 3.32Å; L496-L498 PolarHBondContact O-N 2.88Å; L498-S500 VanDerWaalsContact C-N 3.34Å; L498-S500 PolarHBondContact O-N 2.84Å; L498-F501 PolarHBondContact O-N 3.16Å; L498-P502 WeakPolarHBondContact O-CD 2.96Å; L498-E575 HydrophobicContact CD1-CG 4.37Å
499L93.2Very high90.9Very high2 Ų234.5 Ų34.51%0.0117%0.168CC..Hα-helixtrans-61.3-39.1179.4178.7144.9000112.7Y495 L496 F503 V518 I522 W529 E575 M577Y495-L499 PolarHBondContact O-N 3.35Å; Y495-L499 VanDerWaalsContact O-N 3.16Å; L496-L499 HydrophobicContact CD1-CD2 4.46Å; L499-F503 WeakPolarHBondContact O-CD2 3.48Å; L499-F503 WeakPolarHBondContact O-CE2 3.29Å; L499-V518 HydrophobicContact CD2-CG1 4.25Å; L499-I522 HydrophobicContact CD2-CG1 4.32Å; L499-W529 HydrophobicContact CD1-CE3 4.34Å; L499-W529 HydrophobicContact CD1-CH2 4.04Å; L499-W529 HydrophobicContact CD1-CZ3 3.53Å; L499-E575 WeakPolarHBondContact CA-O 3.29Å; L499-E575 PolarHBondContact N-O 2.71Å; L499-M577 HydrophobicContact CD1-CG 4.2Å; L499-M577 HydrophobicContact CG-CG 3.92Å
500S94.4Very high90.8Very high0 Ų037.2 Ų37.20%018%0.182CC..Hα-helixtrans-84.7-25.9-176.960.30000114L476 L480 L496 P497 L498 F503 V504L476-S500 WeakPolarHBondContact CD1-OG 3.18Å; L480-S500 WeakPolarHBondContact CD2-OG 3.36Å; L496-S500 WeakPolarHBondContact O-CB 3.38Å; L496-S500 PolarHBondContact O-N 3.14Å; L496-S500 PolarHBondContact O-OG 3.18Å; P497-S500 PolarHBondContact O-OG 3.21Å; L498-S500 VanDerWaalsContact C-N 3.34Å; L498-S500 PolarHBondContact O-N 2.84Å; S500-F503 PolarHBondContact O-N 2.88Å; S500-V504 WeakPolarHBondContact O-CG2 3.45Å; S500-V504 PolarHBondContact O-N 2.95Å
501F93.7Very high90.7Very high56 Ų5639.5 Ų39.525%0.24620%0.197CC..Hα-helixtrans-52.6-47.1-178.7-179.4-109.8000115.7I467 L472 L476 P497 L498 F503 V504 K505I467-F501 HydrophobicContact CD1-CD2 4.15Å; I467-F501 HydrophobicContact CD1-CE2 3.95Å; I467-F501 HydrophobicContact CG1-CE2 4.3Å; L472-F501 HydrophobicContact CD2-CE2 3.57Å; L472-F501 HydrophobicContact CD2-CZ 3.99Å; L472-F501 HydrophobicContact CG-CE2 4.14Å; L476-F501 HydrophobicContact CD2-CD2 4.39Å; P497-F501 WeakPolarHBondContact O-CB 3.45Å; P497-F501 PolarHBondContact O-N 3.11Å; L498-F501 PolarHBondContact O-N 3.16Å; F501-F503 VanDerWaalsContact C-N 3.32Å; F501-F503 PolarHBondContact O-N 3.32Å; F501-V504 PolarHBondContact O-N 3.23Å; F501-K505 HydrophobicContact CE1-CD 4Å; F501-K505 HydrophobicContact CZ-CD 4.16Å; F501-K505 VanDerWaalsContact O-CB 3.22Å; F501-K505 WeakPolarHBondContact O-CB 3.44Å; F501-K505 PolarHBondContact O-N 3.24Å
502P93.8Very high90.9Very high9 Ų939.6 Ų39.66%0.05820%0.196CC..Hα-helixtrans-61.9-38.6179.822.3-32.8000112.4L498 K505 L506 W587L498-P502 WeakPolarHBondContact O-CD 2.96Å; P502-K505 PolarHBondContact O-N 3.27Å; P502-L506 WeakPolarHBondContact O-CG 3.28Å; P502-L506 PolarHBondContact O-N 3.25Å; P502-W587 HydrophobicContact CB-CH2 4.16Å; P502-W587 HydrophobicContact CB-CZ2 3.64Å; P502-W587 HydrophobicContact CG-CZ2 3.98Å
503F94.1Very high91Very high0 Ų039.7 Ų39.70%020%0.197CC..Hα-helixtrans-67.6-47.1175.4-56.3-74.8000111.4L499 S500 F501 K505 L506 F507 V517 V518 V521 W587 F591 F595L499-F503 WeakPolarHBondContact O-CD2 3.48Å; L499-F503 WeakPolarHBondContact O-CE2 3.29Å; S500-F503 PolarHBondContact O-N 2.88Å; F501-F503 VanDerWaalsContact C-N 3.32Å; F501-F503 PolarHBondContact O-N 3.32Å; F503-K505 PolarHBondContact O-N 3.24Å; F503-L506 PolarHBondContact O-N 2.86Å; F503-F507 WeakPolarHBondContact O-CD2 3.33Å; F503-F507 PolarHBondContact O-N 3.18Å; F503-V517 HydrophobicContact CD1-CG1 3.63Å; F503-V517 HydrophobicContact CE1-CG1 4.06Å; F503-V517 HydrophobicContact CG-CG1 4.29Å; F503-V518 HydrophobicContact CB-CG2 3.72Å; F503-V518 HydrophobicContact CD2-CG2 3.86Å; F503-V518 HydrophobicContact CG-CG2 3.95Å; F503-V521 HydrophobicContact CE1-CG2 4.27Å; F503-V521 HydrophobicContact CE2-CG1 4.46Å; F503-V521 HydrophobicContact CZ-CG1 4.44Å; F503-V521 HydrophobicContact CZ-CG2 3.98Å; F503-W587 AromaticContact CD1-CH2 4Å; F503-W587 HydrophobicContact CD1-CH2 4Å; F503-W587 AromaticContact CE1-CH2 3.62Å; F503-W587 HydrophobicContact CE1-CH2 3.62Å; F503-W587 HydrophobicContact CE1-CZ2 4.08Å; F503-W587 HydrophobicContact CZ-CH2 4.06Å; F503-W587 HydrophobicContact CZ-CZ2 4.03Å; F503-F591 HydrophobicContact CE1-CD1 4.38Å; F503-F591 HydrophobicContact CE1-CE1 4.29Å; F503-F591 HydrophobicContact CZ-CD1 4.39Å; F503-F591 AromaticContact CZ-CE1 3.85Å; F503-F591 HydrophobicContact CZ-CE1 3.85Å; F503-F591 HydrophobicContact CZ-CZ 4.27Å; F503-F595 AromaticContact CE1-CZ 3.96Å; F503-F595 HydrophobicContact CE1-CZ 3.96Å
504V94Very high91.3Very high4 Ų439.6 Ų39.62%0.02420%0.197CC..Hα-helixtrans-59.6-35.6176.9174.70000111.7L472 L476 V479 S500 F501 L506 Q508 C514L472-V504 HydrophobicContact CD1-CG1 3.94Å; L476-V504 HydrophobicContact CB-CG1 4.11Å; L476-V504 HydrophobicContact CD1-CB 4.34Å; L476-V504 HydrophobicContact CD1-CG2 3.91Å; V479-V504 HydrophobicContact CB-CG2 4.17Å; V479-V504 HydrophobicContact CG1-CG2 4.26Å; V479-V504 HydrophobicContact CG2-CG2 4.24Å; S500-V504 WeakPolarHBondContact O-CG2 3.45Å; S500-V504 PolarHBondContact O-N 2.95Å; F501-V504 PolarHBondContact O-N 3.23Å; V504-L506 VanDerWaalsContact C-N 3.3Å; V504-L506 PolarHBondContact O-N 2.81Å; V504-Q508 WeakPolarHBondContact O-CG 3.49Å; V504-Q508 PolarHBondContact O-N 2.88Å; V504-C514 WeakPolarHBondContact CA-SG 3.45Å; V504-C514 VanDerWaalsContact CG2-SG 3.52Å; V504-C514 PolarHBondContact N-SG 3.39Å
505K91.9Very high91.7Very high112 Ų11233.4 Ų33.449%0.48717%0.168SC..Hα-helixtrans-68.2-23.8175.8-172.1177.5178.5-176.80113.6L472 F501 P502 F503 Q508L472-K505 HydrophobicContact CD1-CB 4.21Å; F501-K505 HydrophobicContact CE1-CD 4Å; F501-K505 HydrophobicContact CZ-CD 4.16Å; F501-K505 VanDerWaalsContact O-CB 3.22Å; F501-K505 WeakPolarHBondContact O-CB 3.44Å; F501-K505 PolarHBondContact O-N 3.24Å; P502-K505 PolarHBondContact O-N 3.27Å; F503-K505 PolarHBondContact O-N 3.24Å; K505-Q508 PolarHBondContact O-NE2 2.69Å
506L90.1Very high91.9Very high40 Ų4032 Ų3221%0.20916%0.163CC..Hα-helixtrans-92.6-42.7174.7-67.9169.8000112.7W433 P502 F503 V504 Q508 W587 L588W433-L506 HydrophobicContact CZ3-CD1 4.35Å; P502-L506 WeakPolarHBondContact O-CG 3.28Å; P502-L506 PolarHBondContact O-N 3.25Å; F503-L506 PolarHBondContact O-N 2.86Å; V504-L506 VanDerWaalsContact C-N 3.3Å; V504-L506 PolarHBondContact O-N 2.81Å; L506-Q508 VanDerWaalsContact C-N 3.35Å; L506-Q508 PolarHBondContact O-N 2.73Å; L506-W587 HydrophobicContact CD1-CE3 4.09Å; L506-W587 HydrophobicContact CD1-CH2 4.08Å; L506-W587 HydrophobicContact CD1-CZ3 3.36Å; L506-L588 HydrophobicContact CD1-CD2 3.75Å; L506-L588 HydrophobicContact CD2-CD2 4.17Å
507F89Confident92.1Very high23 Ų2332 Ų3210%0.10116%0.163CC..  trans-92.826-175-70.6-89.8000114M430 F503 N509 N510 L513 C514 V517M430-F507 HydrophobicContact CE-CD1 4.04Å; M430-F507 HydrophobicContact CE-CD2 4.13Å; M430-F507 HydrophobicContact CE-CE1 3.52Å; M430-F507 HydrophobicContact CE-CE2 3.62Å; M430-F507 HydrophobicContact CE-CG 4.32Å; M430-F507 HydrophobicContact CE-CZ 3.28Å; F503-F507 WeakPolarHBondContact O-CD2 3.33Å; F503-F507 PolarHBondContact O-N 3.18Å; F507-N509 PolarHBondContact O-N 2.9Å; F507-N510 CarbonylContact O-C 3.49Å; F507-N510 PolarHBondContact O-N 2.89Å; F507-L513 HydrophobicContact CD1-CB 4.19Å; F507-L513 HydrophobicContact CE1-CB 4.4Å; F507-C514 HydrophobicContact CB-CB 3.58Å; F507-C514 HydrophobicContact CG-CB 4.34Å; F507-V517 HydrophobicContact CE1-CG2 4.36Å; F507-V517 HydrophobicContact CE2-CB 4.44Å; F507-V517 HydrophobicContact CE2-CG1 4.27Å; F507-V517 HydrophobicContact CE2-CG2 4.07Å; F507-V517 HydrophobicContact CZ-CG2 3.79Å
508Q85.8Confident92.2Very high82 Ų8231.7 Ų31.738%0.38316%0.161SC..THydrogen-bonded Turntrans-52.7-14.2-175.7-64.8-178.246.300116.9K471 L472 V504 K505 L506K471-Q508 VanDerWaalsContact CE-O 3.28Å; K471-Q508 WeakPolarHBondContact CE-O 3.35Å; L472-Q508 HydrophobicContact CD1-CG 3.9Å; V504-Q508 WeakPolarHBondContact O-CG 3.49Å; V504-Q508 PolarHBondContact O-N 2.88Å; K505-Q508 PolarHBondContact O-NE2 2.69Å; L506-Q508 VanDerWaalsContact C-N 3.35Å; L506-Q508 PolarHBondContact O-N 2.73Å
509N85.3Confident92.3Very high142 Ų14229 Ų2976%0.75915%0.146SC*.THydrogen-bonded Turntrans-107.6-5.9-179.1-64.9-19.8000113.4K471 F507K471-N509 PolarHBondContact NZ-OD1 2.98Å; F507-N509 PolarHBondContact O-N 2.9Å
510N89.6Confident92.3Very high57 Ų5728.9 Ų28.931%0.30515%0.146SC..  trans-145.191.3174.4-171-29.1000110F507 M512 L513 C514F507-N510 CarbonylContact O-C 3.49Å; F507-N510 PolarHBondContact O-N 2.89Å; N510-M512 VanDerWaalsContact C-N 3.27Å; N510-M512 PolarHBondContact O-N 2.93Å; N510-M512 WeakPolarHBondContact OD1-CB 3.4Å; N510-M512 PolarHBondContact OD1-N 2.92Å; N510-L513 HydrophobicContact CB-CB 4.3Å; N510-L513 HydrophobicContact CB-CD1 4.37Å; N510-L513 WeakPolarHBondContact ND2-CD1 3.36Å; N510-L513 PolarHBondContact O-N 3.23Å; N510-L513 PolarHBondContact OD1-N 2.98Å; N510-C514 PolarHBondContact O-N 2.95Å
511P90.1Very high92.3Very high48 Ų4828.9 Ų28.931%0.31215%0.146SC..Hα-helixtrans-72.2-19.4-17731.1-36.1000113.2Y446 V479 F515Y446-P511 PolarHBondContact OH-O 3.01Å; V479-P511 HydrophobicContact CG2-CB 4.21Å; P511-F515 WeakPolarHBondContact O-CB 3.44Å; P511-F515 PolarHBondContact O-N 3.39Å
512M92.9Very high92.3Very high8 Ų826.2 Ų26.24%0.03913%0.134CC..Hα-helixtrans-67.9-54.1172-177.1-166.481.600110.3E441 H443 Y446 N510 C514 F515 E516E441-M512 HydrophobicContact CB-CE 3.88Å; E441-M512 HydrophobicContact CG-CE 3.94Å; H443-M512 HydrophobicContact CB-SD 4.31Å; H443-M512 PolarHBondContact ND1-SD 3.45Å; H443-M512 VanDerWaalsContact ND1-SD 3.38Å; Y446-M512 HydrophobicContact CD1-CB 3.68Å; Y446-M512 HydrophobicContact CD1-CG 3.81Å; Y446-M512 HydrophobicContact CD2-CG 4.33Å; Y446-M512 HydrophobicContact CE1-CB 3.88Å; Y446-M512 HydrophobicContact CE1-CG 4.47Å; Y446-M512 HydrophobicContact CG-CB 4.04Å; Y446-M512 HydrophobicContact CG-CG 3.72Å; N510-M512 VanDerWaalsContact C-N 3.27Å; N510-M512 PolarHBondContact O-N 2.93Å; N510-M512 WeakPolarHBondContact OD1-CB 3.4Å; N510-M512 PolarHBondContact OD1-N 2.92Å; M512-C514 PolarHBondContact O-N 2.88Å; M512-F515 WeakPolarHBondContact O-CB 3.3Å; M512-F515 PolarHBondContact O-N 3.26Å; M512-E516 WeakPolarHBondContact O-CG 3.47Å; M512-E516 PolarHBondContact O-N 2.89Å
513L91.2Very high92.2Very high23 Ų2327.2 Ų27.212%0.1214%0.14CC..Hα-helixtrans-61-32.9175-72.4178.9000111.7L439 E441 F507 N510 V517L439-L513 HydrophobicContact CD1-CD2 4.1Å; E441-L513 HydrophobicContact CG-CD2 3.9Å; F507-L513 HydrophobicContact CD1-CB 4.19Å; F507-L513 HydrophobicContact CE1-CB 4.4Å; N510-L513 HydrophobicContact CB-CB 4.3Å; N510-L513 HydrophobicContact CB-CD1 4.37Å; N510-L513 WeakPolarHBondContact ND2-CD1 3.36Å; N510-L513 PolarHBondContact O-N 3.23Å; N510-L513 PolarHBondContact OD1-N 2.98Å; L513-V517 WeakPolarHBondContact O-CB 3.46Å; L513-V517 VanDerWaalsContact O-CG2 3.25Å; L513-V517 WeakPolarHBondContact O-CG2 3.38Å; L513-V517 PolarHBondContact O-N 2.82Å
514C94.3Very high92.1Very high2 Ų227.2 Ų27.21%0.01414%0.14CC..Hα-helixtrans-62.8-45.5172.1-166.90000112.5V479 V504 F507 N510 M512 V518V479-C514 HydrophobicContact CG2-CB 4.14Å; V504-C514 WeakPolarHBondContact CA-SG 3.45Å; V504-C514 VanDerWaalsContact CG2-SG 3.52Å; V504-C514 PolarHBondContact N-SG 3.39Å; F507-C514 HydrophobicContact CB-CB 3.58Å; F507-C514 HydrophobicContact CG-CB 4.34Å; N510-C514 PolarHBondContact O-N 2.95Å; M512-C514 PolarHBondContact O-N 2.88Å; C514-V518 WeakPolarHBondContact O-CG2 3.47Å; C514-V518 PolarHBondContact O-N 2.96Å
515F95.5Very high92.1Very high0 Ų027.8 Ų27.80%014%0.142CC..Hα-helixtrans-62.3-46.8175.8169.4-86.8000111Y446 L449 V479 A482 L483 W486 P511 M512 V517 V518 A519 Y673Y446-F515 HydrophobicContact CD2-CB 4Å; Y446-F515 AromaticContact CD2-CD1 3.74Å; Y446-F515 HydrophobicContact CD2-CD1 3.74Å; Y446-F515 HydrophobicContact CD2-CD2 4.43Å; Y446-F515 HydrophobicContact CD2-CE1 4.38Å; Y446-F515 AromaticContact CD2-CG 3.79Å; Y446-F515 HydrophobicContact CD2-CG 3.79Å; Y446-F515 HydrophobicContact CE2-CB 3.48Å; Y446-F515 VanDerWaalsContact CE2-CB 3.48Å; Y446-F515 HydrophobicContact CE2-CD1 4.07Å; Y446-F515 HydrophobicContact CE2-CD2 4.09Å; Y446-F515 AromaticContact CE2-CG 3.61Å; Y446-F515 HydrophobicContact CE2-CG 3.61Å; L449-F515 HydrophobicContact CD1-CE1 4.16Å; L449-F515 HydrophobicContact CD1-CE2 4.16Å; L449-F515 HydrophobicContact CD1-CZ 3.59Å; V479-F515 HydrophobicContact CG1-CB 4.45Å; A482-F515 HydrophobicContact CB-CD2 3.64Å; A482-F515 HydrophobicContact CB-CE2 3.8Å; L483-F515 HydrophobicContact CD2-CD2 3.93Å; L483-F515 HydrophobicContact CD2-CE2 3.61Å; L483-F515 HydrophobicContact CD2-CZ 4.39Å; L483-F515 HydrophobicContact CG-CD2 3.97Å; L483-F515 HydrophobicContact CG-CE2 3.89Å; W486-F515 HydrophobicContact CB-CZ 4.31Å; W486-F515 HydrophobicContact CD2-CZ 4.33Å; W486-F515 HydrophobicContact CE3-CZ 4.3Å; W486-F515 HydrophobicContact CG-CZ 4.36Å; P511-F515 WeakPolarHBondContact O-CB 3.44Å; P511-F515 PolarHBondContact O-N 3.39Å; M512-F515 WeakPolarHBondContact O-CB 3.3Å; M512-F515 PolarHBondContact O-N 3.26Å; F515-V517 PolarHBondContact O-N 3.11Å; F515-V518 PolarHBondContact O-N 2.69Å; F515-A519 HydrophobicContact CE1-CB 4.4Å; F515-A519 VanDerWaalsContact O-CB 3.29Å; F515-A519 WeakPolarHBondContact O-CB 3.28Å; F515-A519 PolarHBondContact O-N 3.28Å; F515-Y673 HydrophobicContact CD1-CE1 4.5Å; F515-Y673 HydrophobicContact CD1-CE2 4.26Å; F515-Y673 AromaticContact CD1-CZ 3.96Å; F515-Y673 HydrophobicContact CE1-CD1 4.33Å; F515-Y673 AromaticContact CE1-CD2 3.91Å; F515-Y673 HydrophobicContact CE1-CD2 3.91Å; F515-Y673 AromaticContact CE1-CE1 3.97Å; F515-Y673 HydrophobicContact CE1-CE1 3.97Å; F515-Y673 AromaticContact CE1-CE2 3.51Å; F515-Y673 HydrophobicContact CE1-CE2 3.51Å; F515-Y673 HydrophobicContact CE1-CG 4.3Å; F515-Y673 AromaticContact CE1-CZ 3.53Å; F515-Y673 HydrophobicContact CZ-CD2 4.37Å; F515-Y673 HydrophobicContact CZ-CE2 4.28Å
516E94.6Very high92Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-63.5-39.2179.3-67.7-171.6146.400112.2L439 E441 N442 M512 T520 L668 Y673L439-E516 HydrophobicContact CD2-CB 4.26Å; E441-E516 WeakPolarHBondContact CA-OE1 3.4Å; E441-E516 WeakPolarHBondContact CA-OE2 3.34Å; E441-E516 PolarHBondContact N-OE1 3.37Å; E441-E516 VanDerWaalsContact N-OE1 3.12Å; E441-E516 PolarHBondContact N-OE2 3.01Å; E441-E516 VanDerWaalsContact N-OE2 3.14Å; N442-E516 PolarHBondContact N-OE1 2.98Å; M512-E516 WeakPolarHBondContact O-CG 3.47Å; M512-E516 PolarHBondContact O-N 2.89Å; E516-T520 VanDerWaalsContact O-CB 3.28Å; E516-T520 WeakPolarHBondContact O-CB 3.19Å; E516-T520 PolarHBondContact O-N 2.82Å; E516-T520 PolarHBondContact O-OG1 3.34Å; E516-L668 HydrophobicContact CB-CD1 4.44Å; E516-Y673 HydrophobicContact CG-CE1 3.96Å; E516-Y673 WeakPolarHBondContact CG-OH 3.42Å; E516-Y673 PolarHBondContact OE1-OH 3.44Å
517V94.9Very high92Very high1 Ų121.1 Ų21.11%0.00611%0.111CC..Hα-helixtrans-63.4-48.1173168.80000111.1L437 L439 F503 F507 L513 F515 T520 V521L437-V517 HydrophobicContact CD1-CG1 4.35Å; L437-V517 HydrophobicContact CD1-CG2 4.1Å; L439-V517 HydrophobicContact CD1-CG2 3.61Å; L439-V517 HydrophobicContact CD2-CG2 4.17Å; F503-V517 HydrophobicContact CD1-CG1 3.63Å; F503-V517 HydrophobicContact CE1-CG1 4.06Å; F503-V517 HydrophobicContact CG-CG1 4.29Å; F507-V517 HydrophobicContact CE1-CG2 4.36Å; F507-V517 HydrophobicContact CE2-CB 4.44Å; F507-V517 HydrophobicContact CE2-CG1 4.27Å; F507-V517 HydrophobicContact CE2-CG2 4.07Å; F507-V517 HydrophobicContact CZ-CG2 3.79Å; L513-V517 WeakPolarHBondContact O-CB 3.46Å; L513-V517 VanDerWaalsContact O-CG2 3.25Å; L513-V517 WeakPolarHBondContact O-CG2 3.38Å; L513-V517 PolarHBondContact O-N 2.82Å; F515-V517 PolarHBondContact O-N 3.11Å; V517-T520 PolarHBondContact O-N 3.14Å; V517-V521 HydrophobicContact CG1-CG2 4.44Å; V517-V521 WeakPolarHBondContact O-CB 3.44Å; V517-V521 VanDerWaalsContact O-CG2 3.26Å; V517-V521 WeakPolarHBondContact O-CG2 3.49Å; V517-V521 PolarHBondContact O-N 2.62Å
518V95.3Very high92Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-65.7-40.9-179.9173.70000111.4L483 L499 F503 C514 F515 V521 I522L483-V518 HydrophobicContact CD1-CG1 3.76Å; L483-V518 HydrophobicContact CD2-CG1 4.49Å; L499-V518 HydrophobicContact CD2-CG1 4.25Å; F503-V518 HydrophobicContact CB-CG2 3.72Å; F503-V518 HydrophobicContact CD2-CG2 3.86Å; F503-V518 HydrophobicContact CG-CG2 3.95Å; C514-V518 WeakPolarHBondContact O-CG2 3.47Å; C514-V518 PolarHBondContact O-N 2.96Å; F515-V518 PolarHBondContact O-N 2.69Å; V518-V521 WeakPolarHBondContact O-CB 3.49Å; V518-V521 PolarHBondContact O-N 2.66Å; V518-I522 HydrophobicContact CG1-CD1 3.79Å; V518-I522 HydrophobicContact CG1-CG1 4.45Å; V518-I522 WeakPolarHBondContact O-CB 3.26Å; V518-I522 VanDerWaalsContact O-CG1 3.26Å; V518-I522 WeakPolarHBondContact O-CG1 3.34Å; V518-I522 PolarHBondContact O-N 3.11Å
519A94.3Very high92.2Very high0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-64.4-41.7174.400000112W486 F515 V521 I522 V523 L668W486-A519 HydrophobicContact CE3-CB 4.4Å; W486-A519 HydrophobicContact CH2-CB 3.91Å; W486-A519 HydrophobicContact CZ3-CB 3.72Å; F515-A519 HydrophobicContact CE1-CB 4.4Å; F515-A519 VanDerWaalsContact O-CB 3.29Å; F515-A519 WeakPolarHBondContact O-CB 3.28Å; F515-A519 PolarHBondContact O-N 3.28Å; A519-V521 VanDerWaalsContact C-N 3.33Å; A519-V521 PolarHBondContact O-N 3.05Å; A519-I522 PolarHBondContact O-N 3Å; A519-V523 WeakPolarHBondContact O-CG2 3.48Å; A519-V523 PolarHBondContact O-N 2.68Å; A519-L668 HydrophobicContact CB-CD1 4.04Å
520T94.3Very high92.5Very high0 Ų012.9 Ų12.90%07%0.068CC..Hα-helixtrans-63.4-40.5174.6-53.30000111.2L437 E516 V517 N524 W525 F665 L668L437-T520 HydrophobicContact CB-CG2 4.46Å; L437-T520 HydrophobicContact CD2-CG2 4.08Å; E516-T520 VanDerWaalsContact O-CB 3.28Å; E516-T520 WeakPolarHBondContact O-CB 3.19Å; E516-T520 PolarHBondContact O-N 2.82Å; E516-T520 PolarHBondContact O-OG1 3.34Å; V517-T520 PolarHBondContact O-N 3.14Å; T520-N524 WeakPolarHBondContact O-CB 3.39Å; T520-N524 PolarHBondContact O-N 3.01Å; T520-N524 VanDerWaalsContact O-N 3.09Å; T520-N524 PolarHBondContact O-ND2 2.91Å; T520-W525 HydrophobicContact CG2-CZ3 4.46Å; T520-F665 HydrophobicContact CG2-CE2 3.79Å; T520-F665 HydrophobicContact CG2-CZ 4.05Å; T520-L668 VanDerWaalsContact OG1-CD1 3.25Å; T520-L668 WeakPolarHBondContact OG1-CD1 3.35Å; T520-L668 WeakPolarHBondContact OG1-CG 3.34Å
521V94.1Very high92.3Very high0 Ų013.8 Ų13.80%07%0.07CC..Hα-helixtrans-60.8-46.7174.21640000111.2F503 V517 V518 A519 W525 C526 M577 F595F503-V521 HydrophobicContact CE1-CG2 4.27Å; F503-V521 HydrophobicContact CE2-CG1 4.46Å; F503-V521 HydrophobicContact CZ-CG1 4.44Å; F503-V521 HydrophobicContact CZ-CG2 3.98Å; V517-V521 HydrophobicContact CG1-CG2 4.44Å; V517-V521 WeakPolarHBondContact O-CB 3.44Å; V517-V521 VanDerWaalsContact O-CG2 3.26Å; V517-V521 WeakPolarHBondContact O-CG2 3.49Å; V517-V521 PolarHBondContact O-N 2.62Å; V518-V521 WeakPolarHBondContact O-CB 3.49Å; V518-V521 PolarHBondContact O-N 2.66Å; A519-V521 VanDerWaalsContact C-N 3.33Å; A519-V521 PolarHBondContact O-N 3.05Å; V521-W525 WeakPolarHBondContact O-CA 3.28Å; V521-W525 WeakPolarHBondContact O-CB 3.38Å; V521-W525 PolarHBondContact O-N 3.35Å; V521-C526 PolarHBondContact O-N 3.26Å; V521-M577 HydrophobicContact CG1-CE 3.39Å; V521-F595 HydrophobicContact CG2-CE1 3.84Å; V521-F595 HydrophobicContact CG2-CZ 3.99Å
522I93.2Very high92Very high0 Ų016 Ų160%07%0.073CC..Hα-helixtrans-63.3-47.9179.2-72.3166.2000111.3L483 F490 L496 L499 V518 A519 N524 C526 F530 F676L483-I522 HydrophobicContact CD2-CD1 4.29Å; F490-I522 HydrophobicContact CE1-CD1 4.17Å; F490-I522 HydrophobicContact CE1-CG2 3.99Å; F490-I522 HydrophobicContact CZ-CD1 4.39Å; F490-I522 HydrophobicContact CZ-CG2 3.69Å; L496-I522 HydrophobicContact CD1-CD1 4Å; L499-I522 HydrophobicContact CD2-CG1 4.32Å; V518-I522 HydrophobicContact CG1-CD1 3.79Å; V518-I522 HydrophobicContact CG1-CG1 4.45Å; V518-I522 WeakPolarHBondContact O-CB 3.26Å; V518-I522 VanDerWaalsContact O-CG1 3.26Å; V518-I522 WeakPolarHBondContact O-CG1 3.34Å; V518-I522 PolarHBondContact O-N 3.11Å; A519-I522 PolarHBondContact O-N 3Å; I522-N524 PolarHBondContact O-N 2.85Å; I522-C526 CarbonylContact O-C 3.48Å; I522-C526 WeakPolarHBondContact O-CA 3.2Å; I522-C526 VanDerWaalsContact O-CB 3.27Å; I522-C526 WeakPolarHBondContact O-CB 3.38Å; I522-C526 PolarHBondContact O-N 3.31Å; I522-F530 HydrophobicContact CG2-CE2 4.07Å; I522-F530 HydrophobicContact CG2-CZ 4.46Å; I522-F676 HydrophobicContact CG2-CE2 4.12Å; I522-F676 HydrophobicContact CG2-CZ 4.17Å
523V92.2Very high91.7Very high29 Ų2916.3 Ų16.318%0.1767%0.074CC..Hα-helixtrans-65.1-36.1-178.8171.50000112.6W486 A519 Q527 L668 F676W486-V523 HydrophobicContact CH2-CG2 3.94Å; W486-V523 HydrophobicContact CZ2-CG2 4.48Å; A519-V523 WeakPolarHBondContact O-CG2 3.48Å; A519-V523 PolarHBondContact O-N 2.68Å; V523-Q527 WeakPolarHBondContact O-CG 3.36Å; V523-L668 HydrophobicContact CG2-CD2 4.22Å; V523-F676 HydrophobicContact CG2-CD2 4.4Å
524N92.6Very high91.3Very high1 Ų119 Ų191%0.0059%0.093CC..Hα-helixtrans-103.1-42.7-170.5-73.8-85000114.8T520 I522 Q527 P599 F665 T666T520-N524 WeakPolarHBondContact O-CB 3.39Å; T520-N524 PolarHBondContact O-N 3.01Å; T520-N524 VanDerWaalsContact O-N 3.09Å; T520-N524 PolarHBondContact O-ND2 2.91Å; I522-N524 PolarHBondContact O-N 2.85Å; N524-Q527 PolarHBondContact O-NE2 2.68Å; N524-P599 HydrophobicContact CB-CG 4.39Å; N524-P599 VanDerWaalsContact O-CB 3.23Å; N524-P599 WeakPolarHBondContact O-CB 3.4Å; N524-F665 HydrophobicContact CB-CD2 4.04Å; N524-F665 HydrophobicContact CB-CE2 4.39Å; N524-F665 WeakPolarHBondContact OD1-CA 3.44Å; N524-F665 WeakPolarHBondContact OD1-CD2 3.33Å; N524-T666 PolarHBondContact ND2-O 2.65Å; N524-T666 PolarHBondContact OD1-N 3.39Å; N524-T666 PolarHBondContact OD1-O 2.85Å; N524-T666 PolarHBondContact OD1-OG1 2.94Å
525W92.3Very high90.8Very high16 Ų1623.4 Ų23.46%0.06112%0.117CC..Hα-helixtrans-99.4-18.3-177.5-72.2-95.4000112.9L437 T520 V521 V594 F595 P599 L602 F665L437-W525 HydrophobicContact CD2-CH2 3.63Å; L437-W525 HydrophobicContact CD2-CZ3 3.79Å; T520-W525 HydrophobicContact CG2-CZ3 4.46Å; V521-W525 WeakPolarHBondContact O-CA 3.28Å; V521-W525 WeakPolarHBondContact O-CB 3.38Å; V521-W525 PolarHBondContact O-N 3.35Å; W525-V594 WeakPolarHBondContact CZ2-O 3.49Å; W525-F595 AromaticContact CH2-CD1 3.75Å; W525-F595 HydrophobicContact CH2-CD1 3.75Å; W525-F595 HydrophobicContact CH2-CE1 4.28Å; W525-F595 AromaticContact CZ2-CD1 3.8Å; W525-F595 HydrophobicContact CZ2-CD1 3.8Å; W525-F595 HydrophobicContact CZ2-CE1 4.49Å; W525-F595 HydrophobicContact CZ3-CD1 4.26Å; W525-F595 HydrophobicContact CZ3-CE1 4.34Å; W525-P599 HydrophobicContact CD2-CB 4.45Å; W525-P599 HydrophobicContact CG-CB 4.22Å; W525-L602 HydrophobicContact CB-CD2 4.09Å; W525-L602 HydrophobicContact CG-CD2 4.47Å; W525-F665 AromaticContact CH2-CD2 3.7Å; W525-F665 HydrophobicContact CH2-CD2 3.7Å; W525-F665 AromaticContact CH2-CE2 3.75Å; W525-F665 HydrophobicContact CH2-CE2 3.75Å; W525-F665 AromaticContact CZ3-CD2 3.93Å; W525-F665 HydrophobicContact CZ3-CD2 3.93Å; W525-F665 AromaticContact CZ3-CE2 3.78Å; W525-F665 HydrophobicContact CZ3-CE2 3.78Å
526C91.6Very high90.3Very high0 Ų024.4 Ų24.40%012%0.123CC..SBendtrans-102.926.7174.4-460000112.9V521 I522 H528 W529 F530V521-C526 PolarHBondContact O-N 3.26Å; I522-C526 CarbonylContact O-C 3.48Å; I522-C526 WeakPolarHBondContact O-CA 3.2Å; I522-C526 VanDerWaalsContact O-CB 3.27Å; I522-C526 WeakPolarHBondContact O-CB 3.38Å; I522-C526 PolarHBondContact O-N 3.31Å; C526-H528 PolarHBondContact O-N 3.33Å; C526-W529 VanDerWaalsContact CA-CD1 3.47Å; C526-W529 HydrophobicContact CB-CB 3.98Å; C526-W529 HydrophobicContact CB-CD2 3.57Å; C526-W529 HydrophobicContact CB-CE3 3.97Å; C526-W529 HydrophobicContact CB-CG 3.6Å; C526-W529 VanDerWaalsContact O-CB 3.26Å; C526-W529 WeakPolarHBondContact O-CB 3.31Å; C526-W529 PolarHBondContact O-N 2.89Å; C526-W529 VanDerWaalsContact O-N 3.08Å; C526-F530 HydrophobicContact CB-CE2 4.18Å
527Q89.4Confident90Very high12 Ų1224.5 Ų24.56%0.05612%0.124CC..THydrogen-bonded Turntrans-53.3136.5170-70.9179.966.100110V523 N524 W529 L662 S663V523-Q527 WeakPolarHBondContact O-CG 3.36Å; N524-Q527 PolarHBondContact O-NE2 2.68Å; Q527-W529 PolarHBondContact O-N 3.35Å; Q527-W529 VanDerWaalsContact O-N 3.15Å; Q527-L662 HydrophobicContact CB-CD2 4.06Å; Q527-S663 PolarHBondContact NE2-O 2.94Å; Q527-S663 VanDerWaalsContact OE1-CB 3.24Å; Q527-S663 PolarHBondContact OE1-OG 2.88Å
528H88.9Confident89.7Confident69 Ų6928.9 Ų28.932%0.31915%0.147SC..THydrogen-bonded Turntrans60.98.1-175.1-56-86.4000116.3C526 F530 E531 I540C526-H528 PolarHBondContact O-N 3.33Å; H528-F530 VanDerWaalsContact C-N 3.26Å; H528-F530 PolarHBondContact O-N 3.04Å; H528-E531 IonicContact CE1-OE2 3.08Å; H528-E531 IonicContact CG-OE2 2.76Å; H528-E531 IonicContact ND1-OE2 3.95Å; H528-E531 PolarHBondContact ND1-OE2 2.9Å; H528-I540 HydrophobicContact CB-CD1 4.42Å
529W90.4Very high89.4Confident2 Ų231.4 Ų31.41%0.00816%0.16CC..THydrogen-bonded Turntrans-68.7-23.2-176.5-8234.2000114.7Y495 L499 C526 Q527 P537 W571 L574 M577Y495-W529 HydrophobicContact CE2-CE3 4.27Å; Y495-W529 HydrophobicContact CE2-CZ3 4.49Å; L499-W529 HydrophobicContact CD1-CE3 4.34Å; L499-W529 HydrophobicContact CD1-CH2 4.04Å; L499-W529 HydrophobicContact CD1-CZ3 3.53Å; C526-W529 VanDerWaalsContact CA-CD1 3.47Å; C526-W529 HydrophobicContact CB-CB 3.98Å; C526-W529 HydrophobicContact CB-CD2 3.57Å; C526-W529 HydrophobicContact CB-CE3 3.97Å; C526-W529 HydrophobicContact CB-CG 3.6Å; C526-W529 VanDerWaalsContact O-CB 3.26Å; C526-W529 WeakPolarHBondContact O-CB 3.31Å; C526-W529 PolarHBondContact O-N 2.89Å; C526-W529 VanDerWaalsContact O-N 3.08Å; Q527-W529 PolarHBondContact O-N 3.35Å; Q527-W529 VanDerWaalsContact O-N 3.15Å; W529-P537 HydrophobicContact CB-CB 4.47Å; W529-P537 HydrophobicContact CB-CG 4.48Å; W529-P537 HydrophobicContact CD2-CG 4.45Å; W529-P537 HydrophobicContact CG-CB 4.47Å; W529-P537 HydrophobicContact CG-CG 4.15Å; W529-W571 HydrophobicContact CD2-CH2 4.5Å; W529-W571 HydrophobicContact CD2-CZ3 4.28Å; W529-W571 AromaticContact CE3-CH2 3.78Å; W529-W571 HydrophobicContact CE3-CH2 3.78Å; W529-W571 AromaticContact CE3-CZ3 3.92Å; W529-W571 HydrophobicContact CE3-CZ3 3.92Å; W529-W571 HydrophobicContact CH2-CZ3 4.37Å; W529-W571 AromaticContact CZ3-CH2 3.85Å; W529-W571 HydrophobicContact CZ3-CH2 3.85Å; W529-W571 AromaticContact CZ3-CZ3 3.95Å; W529-W571 HydrophobicContact CZ3-CZ3 3.95Å; W529-L574 HydrophobicContact CH2-CB 3.8Å; W529-L574 HydrophobicContact CZ2-CB 4.02Å; W529-L574 HydrophobicContact CZ2-CD1 4.3Å; W529-L574 HydrophobicContact CZ2-CD2 4.1Å; W529-L574 HydrophobicContact CZ2-CG 4.37Å; W529-M577 HydrophobicContact CH2-SD 4.35Å
530F90Very high89.3Confident3 Ų331.5 Ų31.51%0.01316%0.161CC..THydrogen-bonded Turntrans-113.92.3-169.7-51.2-82.1000113.5I489 F490 V493 Y495 I522 C526 H528 Y532 F533 F676 P680I489-F530 HydrophobicContact CD1-CB 3.75Å; I489-F530 HydrophobicContact CD1-CD1 3.9Å; I489-F530 HydrophobicContact CD1-CG 4.13Å; I489-F530 HydrophobicContact CG1-CD1 4.4Å; F490-F530 HydrophobicContact CE1-CE1 4.24Å; F490-F530 HydrophobicContact CE1-CE2 4.33Å; F490-F530 AromaticContact CE1-CZ 3.94Å; F490-F530 HydrophobicContact CE1-CZ 3.94Å; V493-F530 HydrophobicContact CG1-CE1 4.34Å; V493-F530 HydrophobicContact CG2-CD1 4Å; V493-F530 HydrophobicContact CG2-CE1 3.9Å; Y495-F530 HydrophobicContact CE2-CE1 4.41Å; Y495-F530 WeakPolarHBondContact OH-CE1 3.3Å; I522-F530 HydrophobicContact CG2-CE2 4.07Å; I522-F530 HydrophobicContact CG2-CZ 4.46Å; C526-F530 HydrophobicContact CB-CE2 4.18Å; H528-F530 VanDerWaalsContact C-N 3.26Å; H528-F530 PolarHBondContact O-N 3.04Å; F530-Y532 VanDerWaalsContact C-N 3.3Å; F530-Y532 PolarHBondContact O-N 3.4Å; F530-F533 WeakPolarHBondContact O-CB 3.19Å; F530-F533 PolarHBondContact O-N 3.42Å; F530-F676 HydrophobicContact CD2-CE1 4.07Å; F530-F676 AromaticContact CD2-CZ 3.73Å; F530-F676 HydrophobicContact CD2-CZ 3.73Å; F530-F676 HydrophobicContact CE2-CE1 4.48Å; F530-F676 HydrophobicContact CE2-CZ 4.02Å; F530-P680 VanDerWaalsContact O-CD 3.27Å; F530-P680 WeakPolarHBondContact O-CD 3.44Å
531E86.4Confident89.2Confident75 Ų7531.7 Ų31.735%0.3516%0.162SC..THydrogen-bonded Turntrans-61.6-35.4-174.2-167.3175.9158.100112.8H528 P680H528-E531 IonicContact CE1-OE2 3.08Å; H528-E531 IonicContact CG-OE2 2.76Å; H528-E531 IonicContact ND1-OE2 3.95Å; H528-E531 PolarHBondContact ND1-OE2 2.9Å; E531-P680 WeakPolarHBondContact O-CG 3.47Å
532Y84.5Confident89Confident95 Ų9534.2 Ų34.237%0.37318%0.18SC..THydrogen-bonded Turntrans-111.521178.3-57.2-56.6000114F530 N535 L538F530-Y532 VanDerWaalsContact C-N 3.3Å; F530-Y532 PolarHBondContact O-N 3.4Å; Y532-N535 WeakPolarHBondContact O-CB 3.39Å; Y532-N535 PolarHBondContact O-N 3.46Å; Y532-N535 PolarHBondContact O-ND2 2.73Å; Y532-L538 HydrophobicContact CD2-CB 4.34Å; Y532-L538 HydrophobicContact CD2-CG 4.49Å
533F85.1Confident88.9Confident14 Ų1435.3 Ų35.36%0.06119%0.185CC..THydrogen-bonded Turntrans-51.6130.6178.9179.6-93.9000111.1I489 E492 V493 F530 V684I489-F533 HydrophobicContact CD1-CB 4.01Å; I489-F533 HydrophobicContact CD1-CD1 4.03Å; I489-F533 HydrophobicContact CD1-CD2 4.14Å; I489-F533 HydrophobicContact CD1-CG 3.77Å; I489-F533 HydrophobicContact CG1-CD1 4.49Å; I489-F533 HydrophobicContact CG1-CG 4.46Å; E492-F533 HydrophobicContact CB-CE1 4.13Å; E492-F533 HydrophobicContact CB-CZ 3.78Å; V493-F533 HydrophobicContact CB-CE2 4.37Å; V493-F533 HydrophobicContact CG2-CD2 3.97Å; V493-F533 HydrophobicContact CG2-CE2 3.59Å; V493-F533 HydrophobicContact CG2-CZ 4.32Å; F530-F533 WeakPolarHBondContact O-CB 3.19Å; F530-F533 PolarHBondContact O-N 3.42Å; F533-V684 HydrophobicContact CD1-CG2 4.08Å; F533-V684 HydrophobicContact CE1-CG2 4.16Å
534P82.8Confident88.9Confident80 Ų8034 Ų3452%0.51918%0.177SC..THydrogen-bonded Turncis-86.40.217.335.1-38.3000116.8
535N84.2Confident88.9Confident94 Ų9437 Ų3750%0.50319%0.191SC..SBendtrans-71.1151.1-179.3-56.5-66.6000111.8Y532Y532-N535 WeakPolarHBondContact O-CB 3.39Å; Y532-N535 PolarHBondContact O-N 3.46Å; Y532-N535 PolarHBondContact O-ND2 2.73Å
536P85Confident88.9Confident21 Ų2140.5 Ų40.514%0.13621%0.211CC..  trans-57.2157.7166.2-24.535.8000112L538 L541 Q567 W571P536-L538 PolarHBondContact O-N 2.93Å; P536-L541 HydrophobicContact CB-CD1 4.08Å; P536-Q567 HydrophobicContact CG-CG 4.21Å; P536-W571 HydrophobicContact CB-CD2 4.14Å; P536-W571 HydrophobicContact CB-CG 4.4Å
537P89.7Confident89Confident2 Ų240.5 Ų40.51%0.01321%0.211CC..  trans-77.785.9-16830.8-35.9000113.2W529 N539 I540 L541 W571W529-P537 HydrophobicContact CB-CB 4.47Å; W529-P537 HydrophobicContact CB-CG 4.48Å; W529-P537 HydrophobicContact CD2-CG 4.45Å; W529-P537 HydrophobicContact CG-CB 4.47Å; W529-P537 HydrophobicContact CG-CG 4.15Å; P537-N539 PolarHBondContact O-N 3.02Å; P537-N539 VanDerWaalsContact O-N 3.13Å; P537-I540 HydrophobicContact CB-CB 4.14Å; P537-I540 HydrophobicContact CB-CG1 4.06Å; P537-I540 HydrophobicContact CG-CB 4.2Å; P537-I540 HydrophobicContact CG-CG1 4.46Å; P537-I540 WeakPolarHBondContact O-CB 3.27Å; P537-I540 PolarHBondContact O-N 3.37Å; P537-L541 WeakPolarHBondContact O-CG 3.28Å; P537-L541 PolarHBondContact O-N 2.92Å; P537-W571 HydrophobicContact CG-CE3 4Å; P537-W571 HydrophobicContact CG-CH2 4.24Å; P537-W571 HydrophobicContact CG-CZ3 3.49Å; P537-W571 VanDerWaalsContact CG-CZ3 3.49Å
538L87.9Confident89.1Confident93 Ų9340 Ų4049%0.48721%0.208SC..Hα-helixtrans-49-41.1-177.5-55.2-179.4000113.2Y532 P536 I540 L541 S542Y532-L538 HydrophobicContact CD2-CB 4.34Å; Y532-L538 HydrophobicContact CD2-CG 4.49Å; P536-L538 PolarHBondContact O-N 2.93Å; L538-I540 VanDerWaalsContact C-N 3.34Å; L538-I540 PolarHBondContact O-N 2.93Å; L538-L541 PolarHBondContact O-N 3.3Å; L538-S542 VanDerWaalsContact O-CB 3.29Å; L538-S542 WeakPolarHBondContact O-CB 3.26Å; L538-S542 PolarHBondContact O-N 3.36Å
539N88.9Confident89.3Confident54 Ų5437.6 Ų37.629%0.28920%0.202SC..Hα-helixtrans-59-43.3176.6-68.9-13.6000112P537 M543P537-N539 PolarHBondContact O-N 3.02Å; P537-N539 VanDerWaalsContact O-N 3.13Å; N539-M543 HydrophobicContact CB-CE 4.32Å; N539-M543 VanDerWaalsContact O-CG 3.29Å; N539-M543 WeakPolarHBondContact O-CG 3.46Å; N539-M543 PolarHBondContact O-N 3.15Å
540I91.1Very high89.4Confident2 Ų241.3 Ų41.31%0.0122%0.22CC..Hα-helixtrans-74.9-38.7-178.7-59.6-62.4000111.4H528 P537 L538 M543 A544 L574 L603 L662H528-I540 HydrophobicContact CB-CD1 4.42Å; P537-I540 HydrophobicContact CB-CB 4.14Å; P537-I540 HydrophobicContact CB-CG1 4.06Å; P537-I540 HydrophobicContact CG-CB 4.2Å; P537-I540 HydrophobicContact CG-CG1 4.46Å; P537-I540 WeakPolarHBondContact O-CB 3.27Å; P537-I540 PolarHBondContact O-N 3.37Å; L538-I540 VanDerWaalsContact C-N 3.34Å; L538-I540 PolarHBondContact O-N 2.93Å; I540-M543 HydrophobicContact CD1-CE 4.09Å; I540-M543 HydrophobicContact CD1-SD 4.31Å; I540-M543 PolarHBondContact O-N 2.87Å; I540-A544 PolarHBondContact O-N 2.78Å; I540-A544 VanDerWaalsContact O-N 3.09Å; I540-L574 HydrophobicContact CG2-CD1 4.05Å; I540-L603 HydrophobicContact CG2-CD1 4.05Å; I540-L603 HydrophobicContact CG2-CD2 3.51Å; I540-L603 HydrophobicContact CG2-CG 4.44Å; I540-L662 HydrophobicContact CD1-CD2 3.9Å
541L92.2Very high89.5Confident4 Ų443.1 Ų43.12%0.02123%0.228CC..Hα-helixtrans-64.4-44.5175.3-62.4177.4000111P536 P537 L538 M543 A544 E545 Q567 V570 W571P536-L541 HydrophobicContact CB-CD1 4.08Å; P537-L541 WeakPolarHBondContact O-CG 3.28Å; P537-L541 PolarHBondContact O-N 2.92Å; L538-L541 PolarHBondContact O-N 3.3Å; L541-M543 PolarHBondContact O-N 3.15Å; L541-A544 PolarHBondContact O-N 2.84Å; L541-E545 WeakPolarHBondContact O-CB 3.49Å; L541-E545 PolarHBondContact O-N 2.95Å; L541-Q567 HydrophobicContact CD1-CB 4.24Å; L541-V570 HydrophobicContact CD2-CB 3.89Å; L541-V570 HydrophobicContact CD2-CG1 4.17Å; L541-W571 HydrophobicContact CD2-CB 4.02Å; L541-W571 HydrophobicContact CD2-CE3 4.47Å
542S91Very high89.8Confident53 Ų5340.4 Ų40.437%0.37122%0.216SC..Hα-helixtrans-63.4-39.2174-173.80000112.4L538 A544 E545 N546L538-S542 VanDerWaalsContact O-CB 3.29Å; L538-S542 WeakPolarHBondContact O-CB 3.26Å; L538-S542 PolarHBondContact O-N 3.36Å; S542-A544 VanDerWaalsContact C-N 3.35Å; S542-A544 PolarHBondContact O-N 2.91Å; S542-E545 PolarHBondContact O-N 3.46Å; S542-N546 WeakPolarHBondContact O-CB 3.42Å; S542-N546 PolarHBondContact O-N 3.46Å; S542-N546 PolarHBondContact O-ND2 3.12Å; S542-N546 PolarHBondContact OG-ND2 2.81Å
543M90.9Very high90.2Very high23 Ų2342.6 Ų42.611%0.11323%0.228CC..Hα-helixtrans-58.6-45172.5-76.8178.4-135.900111.9N539 I540 L541 I547 L603 P658 L661N539-M543 HydrophobicContact CB-CE 4.32Å; N539-M543 VanDerWaalsContact O-CG 3.29Å; N539-M543 WeakPolarHBondContact O-CG 3.46Å; N539-M543 PolarHBondContact O-N 3.15Å; I540-M543 HydrophobicContact CD1-CE 4.09Å; I540-M543 HydrophobicContact CD1-SD 4.31Å; I540-M543 PolarHBondContact O-N 2.87Å; L541-M543 PolarHBondContact O-N 3.15Å; M543-I547 VanDerWaalsContact O-CD1 3.28Å; M543-I547 WeakPolarHBondContact O-CD1 3.45Å; M543-I547 VanDerWaalsContact O-CG1 3.23Å; M543-I547 WeakPolarHBondContact O-CG1 3.39Å; M543-I547 PolarHBondContact O-N 2.92Å; M543-L603 HydrophobicContact CB-CD1 4.46Å; M543-P658 HydrophobicContact CB-CG 4.2Å; M543-P658 HydrophobicContact SD-CB 3.9Å; M543-P658 HydrophobicContact SD-CG 4.32Å; M543-L661 HydrophobicContact CE-CB 3.95Å; M543-L661 HydrophobicContact CE-CD1 3.82Å; M543-L661 HydrophobicContact CG-CD1 4.12Å; M543-L661 HydrophobicContact SD-CB 4.17Å; M543-L661 HydrophobicContact SD-CD1 3.98Å
544A92.1Very high90.6Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-65-41.9177.700000112.5I540 L541 S542 I547 L548 V570 V607I540-A544 PolarHBondContact O-N 2.78Å; I540-A544 VanDerWaalsContact O-N 3.09Å; L541-A544 PolarHBondContact O-N 2.84Å; S542-A544 VanDerWaalsContact C-N 3.35Å; S542-A544 PolarHBondContact O-N 2.91Å; A544-I547 PolarHBondContact O-N 2.99Å; A544-L548 PolarHBondContact O-N 2.86Å; A544-V570 HydrophobicContact CB-CG1 3.8Å; A544-V570 HydrophobicContact CB-CG2 3.95Å; A544-V607 HydrophobicContact CB-CG2 4.16Å; A544-V607 WeakPolarHBondContact O-CG2 3.36Å
545E92.5Very high91.1Very high64 Ų6443.4 Ų43.430%0.29923%0.225SC..Hα-helixtrans-62.9-41.8177.6-169.5163.2100.400112.3L541 S542 I547 L548 G549 L556 S566 Y569L541-E545 WeakPolarHBondContact O-CB 3.49Å; L541-E545 PolarHBondContact O-N 2.95Å; S542-E545 PolarHBondContact O-N 3.46Å; E545-I547 VanDerWaalsContact C-N 3.34Å; E545-I547 PolarHBondContact O-N 3.03Å; E545-L548 PolarHBondContact O-N 2.95Å; E545-G549 PolarHBondContact O-N 3.1Å; E545-L556 HydrophobicContact CG-CD1 4.03Å; E545-S566 WeakPolarHBondContact OE2-CB 3.49Å; E545-S566 PolarHBondContact OE2-N 3Å; E545-S566 PolarHBondContact OE2-OG 3.44Å; E545-Y569 WeakPolarHBondContact CG-OH 3.3Å; E545-Y569 PolarHBondContact OE2-OH 3.29Å
546N92.2Very high91.5Very high91 Ų9140 Ų4049%0.48721%0.206SC..Hα-helixtrans-64.7-33.6175-78.6-64.1000113.2S542 H550 I656S542-N546 WeakPolarHBondContact O-CB 3.42Å; S542-N546 PolarHBondContact O-N 3.46Å; S542-N546 PolarHBondContact O-ND2 3.12Å; S542-N546 PolarHBondContact OG-ND2 2.81Å; N546-H550 PolarHBondContact O-N 2.55Å; N546-I656 HydrophobicContact CB-CG2 4.11Å
547I92.9Very high91.8Very high0 Ų044.2 Ų44.20%022%0.224CC..Hα-helixtrans-73.1-44174.8-59.8156.2000109.9M543 A544 E545 G549 H550 H551 M604 V607 I648 I656 P658M543-I547 VanDerWaalsContact O-CD1 3.28Å; M543-I547 WeakPolarHBondContact O-CD1 3.45Å; M543-I547 VanDerWaalsContact O-CG1 3.23Å; M543-I547 WeakPolarHBondContact O-CG1 3.39Å; M543-I547 PolarHBondContact O-N 2.92Å; A544-I547 PolarHBondContact O-N 2.99Å; E545-I547 VanDerWaalsContact C-N 3.34Å; E545-I547 PolarHBondContact O-N 3.03Å; I547-G549 PolarHBondContact O-N 3.01Å; I547-H550 WeakPolarHBondContact O-CB 3.37Å; I547-H550 PolarHBondContact O-N 2.92Å; I547-H551 PolarHBondContact O-CD2 2.75Å; I547-H551 VanDerWaalsContact O-CD2 3.28Å; I547-H551 PolarHBondContact O-N 3.13Å; I547-H551 VanDerWaalsContact O-N 3.15Å; I547-M604 HydrophobicContact CD1-CE 4.49Å; I547-M604 HydrophobicContact CD1-SD 4Å; I547-M604 HydrophobicContact CG2-SD 4.14Å; I547-V607 HydrophobicContact CB-CG2 4.21Å; I547-V607 HydrophobicContact CG2-CB 4.33Å; I547-V607 HydrophobicContact CG2-CG1 4.04Å; I547-V607 HydrophobicContact CG2-CG2 4.26Å; I547-I648 HydrophobicContact CG2-CG2 3.86Å; I547-I656 HydrophobicContact CG1-CG2 4.02Å; I547-P658 HydrophobicContact CD1-CG 3.61Å
548L93.2Very high92Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-58.2-49.1175.9-178.559.9000110.5A544 E545 H550 H551 D552 L555 L556 L559 Y569 V607 I610 I611A544-L548 PolarHBondContact O-N 2.86Å; E545-L548 PolarHBondContact O-N 2.95Å; L548-H550 PolarHBondContact O-N 3.01Å; L548-H551 PolarHBondContact O-N 3.48Å; L548-H551 VanDerWaalsContact O-N 3.09Å; L548-D552 HydrophobicContact CD1-CB 4.38Å; L548-D552 CarbonylContact O-C 3.57Å; L548-D552 PolarHBondContact O-N 2.82Å; L548-L555 HydrophobicContact CD1-CD2 4.39Å; L548-L556 HydrophobicContact CD2-CD1 4.3Å; L548-L556 HydrophobicContact CG-CB 4.34Å; L548-L559 HydrophobicContact CD2-CD1 4.12Å; L548-Y569 HydrophobicContact CD2-CE2 3.69Å; L548-V607 HydrophobicContact CB-CG1 4.05Å; L548-V607 HydrophobicContact CD1-CG1 4.16Å; L548-I610 HydrophobicContact CD1-CG2 4.09Å; L548-I610 HydrophobicContact CD2-CG2 4.09Å; L548-I611 HydrophobicContact CD1-CD1 4.1Å; L548-I611 HydrophobicContact CD1-CG1 3.76Å
549G92.2Very high92.1Very high19 Ų1941.9 Ų41.920%0.19621%0.21CC..Hα-helixtrans-65.4-6.6174.900000115.8E545 I547 K553 L556E545-G549 PolarHBondContact O-N 3.1Å; I547-G549 PolarHBondContact O-N 3.01Å; G549-K553 WeakPolarHBondContact O-CE 3.27Å; G549-K553 WeakPolarHBondContact O-CG 3.39Å; G549-L556 VanDerWaalsContact CA-CD2 3.44Å
550H93.4Very high92.3Very high81 Ų8144.6 Ų44.638%0.37522%0.223SC..Hα-helixtrans-91.1-41.3168-170.382.7000112.5N546 I547 L548 P653 I656N546-H550 PolarHBondContact O-N 2.55Å; I547-H550 WeakPolarHBondContact O-CB 3.37Å; I547-H550 PolarHBondContact O-N 2.92Å; L548-H550 PolarHBondContact O-N 3.01Å; H550-P653 WeakPolarHBondContact NE2-CD 3.28Å; H550-I656 HydrophobicContact CB-CD1 4.41Å
551H92.2Very high92.3Very high41 Ų4151.1 Ų51.119%0.1926%0.257CS..Hα-helixtrans-95.8-32.7-173.3-65.8-74.8000114.9I547 L548 I611 S651 T652I547-H551 PolarHBondContact O-CD2 2.75Å; I547-H551 VanDerWaalsContact O-CD2 3.28Å; I547-H551 PolarHBondContact O-N 3.13Å; I547-H551 VanDerWaalsContact O-N 3.15Å; L548-H551 PolarHBondContact O-N 3.48Å; L548-H551 VanDerWaalsContact O-N 3.09Å; H551-I611 HydrophobicContact CB-CD1 3.75Å; H551-S651 PolarHBondContact CE1-OG 2.91Å; H551-T652 PolarHBondContact NE2-OG1 2.85Å
552D92.8Very high92.2Very high17 Ų1752.6 Ų52.69%0.09127%0.268CS..  trans-141.793.8173.5-165.8-23.2000110.8L548 E554 L555 L556 I611 R614L548-D552 HydrophobicContact CD1-CB 4.38Å; L548-D552 CarbonylContact O-C 3.57Å; L548-D552 PolarHBondContact O-N 2.82Å; D552-E554 PolarHBondContact OD1-N 3.11Å; D552-E554 VanDerWaalsContact OD1-N 3.12Å; D552-L555 HydrophobicContact CB-CB 4.16Å; D552-L555 VanDerWaalsContact CG-CB 3.45Å; D552-L555 WeakPolarHBondContact OD1-CB 3.47Å; D552-L555 PolarHBondContact OD1-N 2.96Å; D552-L556 PolarHBondContact O-N 2.8Å; D552-I611 HydrophobicContact CB-CD1 4.35Å; D552-I611 HydrophobicContact CB-CG1 4.21Å; D552-R614 WeakPolarHBondContact OD2-CD 3.39Å; D552-R614 IonicContact OD2-NE 2.6Å; D552-R614 PolarHBondContact OD2-NE 2.93Å
553K92.8Very high92Very high142 Ų14252.7 Ų52.762%0.61728%0.277SS*.Hα-helixtrans-73.5-29.5178.3-71.5-179.4179.4-175.90113.3G549 Q557G549-K553 WeakPolarHBondContact O-CE 3.27Å; G549-K553 WeakPolarHBondContact O-CG 3.39Å; K553-Q557 WeakPolarHBondContact O-CB 3.46Å; K553-Q557 VanDerWaalsContact O-CG 3.25Å; K553-Q557 WeakPolarHBondContact O-CG 3.44Å; K553-Q557 PolarHBondContact O-N 2.82Å
554E92.9Very high92Very high111 Ų11151.9 Ų51.952%0.51927%0.273SS..Hα-helixtrans-72.4-44.4-176.3-171.4-173.7140.600109.7D552 Q557 H558 R614D552-E554 PolarHBondContact OD1-N 3.11Å; D552-E554 VanDerWaalsContact OD1-N 3.12Å; E554-Q557 PolarHBondContact O-N 3.35Å; E554-H558 PolarHBondContact O-N 3.46Å; E554-R614 IonicContact OE1-CZ 2.61Å; E554-R614 IonicContact OE1-NH2 3.65Å; E554-R614 PolarHBondContact OE1-NH2 3.17Å; E554-R614 IonicContact OE2-NH2 2.77Å; E554-R614 PolarHBondContact OE2-NH2 3.19Å
555L92.9Very high91.9Very high0 Ų055.4 Ų55.40%030%0.295CS..Hα-helixtrans-64-39.1173.4-176.757.9000112.2L548 D552 L559 I610 R614 L617 L618L548-L555 HydrophobicContact CD1-CD2 4.39Å; D552-L555 HydrophobicContact CB-CB 4.16Å; D552-L555 VanDerWaalsContact CG-CB 3.45Å; D552-L555 WeakPolarHBondContact OD1-CB 3.47Å; D552-L555 PolarHBondContact OD1-N 2.96Å; L555-L559 HydrophobicContact CG-CD1 4.41Å; L555-L559 VanDerWaalsContact O-CG 3.3Å; L555-L559 WeakPolarHBondContact O-CG 3.32Å; L555-L559 PolarHBondContact O-N 3.2Å; L555-L559 VanDerWaalsContact O-N 3.09Å; L555-I610 HydrophobicContact CD2-CG2 3.82Å; L555-R614 HydrophobicContact CD2-CB 4.21Å; L555-R614 HydrophobicContact CD2-CG 4.29Å; L555-L617 HydrophobicContact CD1-CB 3.79Å; L555-L617 HydrophobicContact CD1-CD1 4.49Å; L555-L617 HydrophobicContact CD2-CD1 4.48Å; L555-L618 HydrophobicContact CD1-CD2 3.96Å; L555-L618 HydrophobicContact CD1-CG 4.17Å
556L92.8Very high91.9Very high22 Ų2253 Ų5312%0.11529%0.285CS..Hα-helixtrans-67.2-39.1174.5-177.559.8000112.2E545 L548 G549 D552 L559 M560E545-L556 HydrophobicContact CG-CD1 4.03Å; L548-L556 HydrophobicContact CD2-CD1 4.3Å; L548-L556 HydrophobicContact CG-CB 4.34Å; G549-L556 VanDerWaalsContact CA-CD2 3.44Å; D552-L556 PolarHBondContact O-N 2.8Å; L556-L559 PolarHBondContact O-N 2.88Å; L556-M560 HydrophobicContact CG-CE 4.23Å; L556-M560 WeakPolarHBondContact O-CG 3.33Å; L556-M560 PolarHBondContact O-N 2.95Å
557Q92.2Very high91.8Very high110 Ų11053.3 Ų53.351%0.51428%0.284SS..Hα-helixtrans-61.9-48.5174.9-78.8172-29.900111.3K553 E554 L559 M560 D561K553-Q557 WeakPolarHBondContact O-CB 3.46Å; K553-Q557 VanDerWaalsContact O-CG 3.25Å; K553-Q557 WeakPolarHBondContact O-CG 3.44Å; K553-Q557 PolarHBondContact O-N 2.82Å; E554-Q557 PolarHBondContact O-N 3.35Å; Q557-L559 VanDerWaalsContact C-N 3.3Å; Q557-L559 PolarHBondContact O-N 3.43Å; Q557-M560 HydrophobicContact CG-CE 4.02Å; Q557-M560 PolarHBondContact O-N 3.32Å; Q557-M560 VanDerWaalsContact O-N 3.08Å; Q557-D561 PolarHBondContact O-N 2.95Å
558H92.3Very high91.7Very high44 Ų4454.9 Ų54.920%0.20429%0.292CS..Hα-helixtrans-56.2-41.7175.2-176.675.6000113E554 D561 C562 L617 L618 C620 F626E554-H558 PolarHBondContact O-N 3.46Å; H558-D561 PolarHBondContact O-N 2.98Å; H558-C562 WeakPolarHBondContact O-CB 3.27Å; H558-C562 PolarHBondContact O-N 3.37Å; H558-C562 PolarHBondContact O-SG 3.21Å; H558-L617 PolarHBondContact CD2-O 2.96Å; H558-L617 PolarHBondContact NE2-O 3.48Å; H558-L618 HydrophobicContact CB-CD2 3.64Å; H558-C620 PolarHBondContact NE2-O 2.61Å; H558-F626 AromaticContact NE2-CZ 4Å
559L91.4Very high91.5Very high1 Ų154.9 Ų54.91%0.00529%0.292CS..Hα-helixtrans-64.4-41.4175.7-73.1166000112.2L548 L555 L556 Q557 C562 G563 I564 Y569 F626L548-L559 HydrophobicContact CD2-CD1 4.12Å; L555-L559 HydrophobicContact CG-CD1 4.41Å; L555-L559 VanDerWaalsContact O-CG 3.3Å; L555-L559 WeakPolarHBondContact O-CG 3.32Å; L555-L559 PolarHBondContact O-N 3.2Å; L555-L559 VanDerWaalsContact O-N 3.09Å; L556-L559 PolarHBondContact O-N 2.88Å; Q557-L559 VanDerWaalsContact C-N 3.3Å; Q557-L559 PolarHBondContact O-N 3.43Å; L559-C562 PolarHBondContact O-N 3.32Å; L559-G563 PolarHBondContact O-N 2.87Å; L559-I564 HydrophobicContact CB-CB 4.45Å; L559-I564 HydrophobicContact CD2-CB 4.07Å; L559-I564 HydrophobicContact CD2-CG1 4.36Å; L559-I564 HydrophobicContact CD2-CG2 4.11Å; L559-I564 WeakPolarHBondContact O-CB 3.37Å; L559-I564 PolarHBondContact O-N 3.36Å; L559-Y569 HydrophobicContact CD1-CD1 3.99Å; L559-Y569 HydrophobicContact CD1-CD2 4.45Å; L559-Y569 HydrophobicContact CD1-CE1 3.99Å; L559-Y569 HydrophobicContact CD1-CE2 4.46Å; L559-Y569 HydrophobicContact CD1-CG 4.25Å; L559-Y569 HydrophobicContact CD2-CD1 4.3Å; L559-F626 HydrophobicContact CD2-CD1 3.91Å; L559-F626 HydrophobicContact CD2-CE1 3.57Å; L559-F626 HydrophobicContact CD2-CZ 4.18Å
560M91.4Very high91.6Very high111 Ų11154 Ų5455%0.54728%0.283SS..Hα-helixtrans-66.9-43.3175.8-70.2-174.7-60.700112.2L556 Q557 C562 G563L556-M560 HydrophobicContact CG-CE 4.23Å; L556-M560 WeakPolarHBondContact O-CG 3.33Å; L556-M560 PolarHBondContact O-N 2.95Å; Q557-M560 HydrophobicContact CG-CE 4.02Å; Q557-M560 PolarHBondContact O-N 3.32Å; Q557-M560 VanDerWaalsContact O-N 3.08Å; M560-C562 VanDerWaalsContact C-N 3.28Å; M560-C562 PolarHBondContact O-N 3.31Å; M560-G563 WeakPolarHBondContact O-CA 3.37Å; M560-G563 PolarHBondContact O-N 2.98Å
561D91.6Very high91.6Very high139 Ų13950.8 Ų50.874%0.74327%0.267SS*.Hα-helixtrans-64.5-33.6178-68.3-27000111.7Q557 H558 G563Q557-D561 PolarHBondContact O-N 2.95Å; H558-D561 PolarHBondContact O-N 2.98Å; D561-G563 PolarHBondContact O-N 3.39Å
562C89.5Confident91.6Very high35 Ų3549.2 Ų49.224%0.23626%0.261CS..THydrogen-bonded Turntrans-77.1-1.4170.9-68.10000114.2H558 L559 M560 I564 F626H558-C562 WeakPolarHBondContact O-CB 3.27Å; H558-C562 PolarHBondContact O-N 3.37Å; H558-C562 PolarHBondContact O-SG 3.21Å; L559-C562 PolarHBondContact O-N 3.32Å; M560-C562 VanDerWaalsContact C-N 3.28Å; M560-C562 PolarHBondContact O-N 3.31Å; C562-I564 HydrophobicContact CB-CD1 4.29Å; C562-I564 HydrophobicContact CB-CG1 3.7Å; C562-I564 WeakPolarHBondContact O-CD1 3.45Å; C562-F626 HydrophobicContact CB-CE2 3.91Å; C562-F626 HydrophobicContact CB-CZ 4.26Å
563G87.9Confident91.6Very high55 Ų5548.4 Ų48.457%0.56726%0.256SS*.THydrogen-bonded Turntrans70.926.8-179.500000114.8L559 M560 D561L559-G563 PolarHBondContact O-N 2.87Å; M560-G563 WeakPolarHBondContact O-CA 3.37Å; M560-G563 PolarHBondContact O-N 2.98Å; D561-G563 PolarHBondContact O-N 3.39Å
564I91.4Very high91.7Very high7 Ų741.7 Ų41.74%0.03623%0.227CC..  trans-98.8119.8-174.6-45.2-58.3000110.3L559 C562 L568 Y569 K623 F626L559-I564 HydrophobicContact CB-CB 4.45Å; L559-I564 HydrophobicContact CD2-CB 4.07Å; L559-I564 HydrophobicContact CD2-CG1 4.36Å; L559-I564 HydrophobicContact CD2-CG2 4.11Å; L559-I564 WeakPolarHBondContact O-CB 3.37Å; L559-I564 PolarHBondContact O-N 3.36Å; C562-I564 HydrophobicContact CB-CD1 4.29Å; C562-I564 HydrophobicContact CB-CG1 3.7Å; C562-I564 WeakPolarHBondContact O-CD1 3.45Å; I564-L568 HydrophobicContact CG2-CB 3.73Å; I564-L568 HydrophobicContact CG2-CD1 3.97Å; I564-Y569 HydrophobicContact CG2-CD1 4.14Å; I564-K623 HydrophobicContact CD1-CB 4.02Å; I564-K623 HydrophobicContact CD1-CG 3.98Å; I564-F626 HydrophobicContact CD1-CD2 3.58Å; I564-F626 HydrophobicContact CD1-CE2 4.03Å; I564-F626 HydrophobicContact CD1-CG 4.24Å; I564-F626 HydrophobicContact CG1-CD2 3.67Å; I564-F626 HydrophobicContact CG1-CE2 3.78Å; I564-F626 HydrophobicContact CG1-CG 4.14Å; I564-F626 HydrophobicContact CG1-CZ 4.32Å
565T90.3Very high91.6Very high74 Ų7438 Ų3845%0.45421%0.21SC..  trans-88.6161175.861.30000111.9Q567 L568 Y569T565-Q567 PolarHBondContact O-N 2.92Å; T565-L568 PolarHBondContact O-N 2.95Å; T565-Y569 VanDerWaalsContact O-CD1 3.24Å; T565-Y569 WeakPolarHBondContact O-CD1 3.4Å
566S90.9Very high91.6Very high13 Ų1338.4 Ų38.49%0.09121%0.212CC..Hα-helixtrans-56.3-20.4173.332.70000114.6E545 L568 V570 W571E545-S566 WeakPolarHBondContact OE2-CB 3.49Å; E545-S566 PolarHBondContact OE2-N 3Å; E545-S566 PolarHBondContact OE2-OG 3.44Å; S566-L568 PolarHBondContact O-N 2.87Å; S566-V570 WeakPolarHBondContact O-CB 3.45Å; S566-V570 PolarHBondContact O-N 3.41Å; S566-W571 PolarHBondContact O-N 2.98Å
567Q91.1Very high91.6Very high97 Ų9737.4 Ų37.445%0.45321%0.207SC..Hα-helixtrans-64.1-21.5169.3-172.7-178.5-900113.4P536 L541 T565 W571P536-Q567 HydrophobicContact CG-CG 4.21Å; L541-Q567 HydrophobicContact CD1-CB 4.24Å; T565-Q567 PolarHBondContact O-N 2.92Å; Q567-W571 WeakPolarHBondContact O-CB 3.19Å
568L90.1Very high91.7Very high33 Ų3332.1 Ų32.117%0.17318%0.182CC..Hα-helixtrans-98-26.5-179.1-66.2163.5000113.1I564 T565 S566 K623 E627 F630I564-L568 HydrophobicContact CG2-CB 3.73Å; I564-L568 HydrophobicContact CG2-CD1 3.97Å; T565-L568 PolarHBondContact O-N 2.95Å; S566-L568 PolarHBondContact O-N 2.87Å; L568-K623 HydrophobicContact CD1-CG 4.38Å; L568-E627 HydrophobicContact CD2-CG 4.23Å; L568-F630 WeakPolarHBondContact O-CD2 3.46Å
569Y90Very high91.7Very high1 Ų131.9 Ų31.90%0.00419%0.185CC..Hα-helixtrans-112.6-19.5-175.571.8-104.2000115.1E545 L548 L559 I564 T565 I610 F630E545-Y569 WeakPolarHBondContact CG-OH 3.3Å; E545-Y569 PolarHBondContact OE2-OH 3.29Å; L548-Y569 HydrophobicContact CD2-CE2 3.69Å; L559-Y569 HydrophobicContact CD1-CD1 3.99Å; L559-Y569 HydrophobicContact CD1-CD2 4.45Å; L559-Y569 HydrophobicContact CD1-CE1 3.99Å; L559-Y569 HydrophobicContact CD1-CE2 4.46Å; L559-Y569 HydrophobicContact CD1-CG 4.25Å; L559-Y569 HydrophobicContact CD2-CD1 4.3Å; I564-Y569 HydrophobicContact CG2-CD1 4.14Å; T565-Y569 VanDerWaalsContact O-CD1 3.24Å; T565-Y569 WeakPolarHBondContact O-CD1 3.4Å; Y569-I610 HydrophobicContact CD2-CD1 3.58Å; Y569-I610 HydrophobicContact CD2-CG1 4.31Å; Y569-I610 HydrophobicContact CE2-CD1 3.99Å; Y569-F630 VanDerWaalsContact CB-CE2 3.44Å; Y569-F630 WeakPolarHBondContact O-CE1 3.41Å
570V93.3Very high91.7Very high0 Ų035.3 Ų35.30%020%0.201CC..THydrogen-bonded Turntrans-104.2-43.8174.7-168.50000111.5L541 A544 S566 L573 L574 C606 I610L541-V570 HydrophobicContact CD2-CB 3.89Å; L541-V570 HydrophobicContact CD2-CG1 4.17Å; A544-V570 HydrophobicContact CB-CG1 3.8Å; A544-V570 HydrophobicContact CB-CG2 3.95Å; S566-V570 WeakPolarHBondContact O-CB 3.45Å; S566-V570 PolarHBondContact O-N 3.41Å; V570-L573 WeakPolarHBondContact O-CB 3.36Å; V570-L573 PolarHBondContact O-N 3.12Å; V570-L574 HydrophobicContact CG1-CD1 3.92Å; V570-L574 HydrophobicContact CG1-CG 4.31Å; V570-L574 PolarHBondContact O-N 3.33Å; V570-C606 HydrophobicContact CG1-CB 4.2Å; V570-I610 HydrophobicContact CG2-CD1 4.24Å
571W93.6Very high91.7Very high14 Ų1430.2 Ų30.25%0.05318%0.177CC..Hα-helixtrans-64-41.5-170.7-176.4-107.9000114.9Y495 W529 P536 P537 L541 S566 Q567 L573 L574 E575Y495-W571 AromaticContact CD1-CZ2 3.77Å; Y495-W571 HydrophobicContact CD1-CZ2 3.77Å; Y495-W571 HydrophobicContact CD2-CH2 4.3Å; Y495-W571 HydrophobicContact CD2-CZ2 4.06Å; Y495-W571 HydrophobicContact CE1-CH2 4.08Å; Y495-W571 AromaticContact CE1-CZ2 3.66Å; Y495-W571 HydrophobicContact CE1-CZ2 3.66Å; Y495-W571 AromaticContact CE2-CH2 3.85Å; Y495-W571 HydrophobicContact CE2-CH2 3.85Å; Y495-W571 AromaticContact CE2-CZ2 3.98Å; Y495-W571 HydrophobicContact CE2-CZ2 3.98Å; Y495-W571 AromaticContact CG-CZ2 3.96Å; Y495-W571 HydrophobicContact CG-CZ2 3.96Å; Y495-W571 AromaticContact CZ-CH2 3.72Å; Y495-W571 AromaticContact CZ-CZ2 3.77Å; W529-W571 HydrophobicContact CD2-CH2 4.5Å; W529-W571 HydrophobicContact CD2-CZ3 4.28Å; W529-W571 AromaticContact CE3-CH2 3.78Å; W529-W571 HydrophobicContact CE3-CH2 3.78Å; W529-W571 AromaticContact CE3-CZ3 3.92Å; W529-W571 HydrophobicContact CE3-CZ3 3.92Å; W529-W571 HydrophobicContact CH2-CZ3 4.37Å; W529-W571 AromaticContact CZ3-CH2 3.85Å; W529-W571 HydrophobicContact CZ3-CH2 3.85Å; W529-W571 AromaticContact CZ3-CZ3 3.95Å; W529-W571 HydrophobicContact CZ3-CZ3 3.95Å; P536-W571 HydrophobicContact CB-CD2 4.14Å; P536-W571 HydrophobicContact CB-CG 4.4Å; P537-W571 HydrophobicContact CG-CE3 4Å; P537-W571 HydrophobicContact CG-CH2 4.24Å; P537-W571 HydrophobicContact CG-CZ3 3.49Å; P537-W571 VanDerWaalsContact CG-CZ3 3.49Å; L541-W571 HydrophobicContact CD2-CB 4.02Å; L541-W571 HydrophobicContact CD2-CE3 4.47Å; S566-W571 PolarHBondContact O-N 2.98Å; Q567-W571 WeakPolarHBondContact O-CB 3.19Å; W571-L573 PolarHBondContact O-N 2.97Å; W571-L574 HydrophobicContact CE3-CB 4.06Å; W571-L574 HydrophobicContact CE3-CD1 4.41Å; W571-L574 HydrophobicContact CZ3-CB 4.22Å; W571-L574 CarbonylContact O-C 3.41Å; W571-L574 PolarHBondContact O-N 3.42Å; W571-E575 HydrophobicContact CD2-CB 4.31Å; W571-E575 HydrophobicContact CH2-CB 4.38Å; W571-E575 HydrophobicContact CZ2-CB 3.72Å; W571-E575 PolarHBondContact NE1-OE2 2.8Å; W571-E575 PolarHBondContact O-N 2.9Å
572P92.7Very high91.8Very high8 Ų824 Ų245%0.05214%0.143CC..Hα-helixtrans-59.8-32.2177.1-26.636.8000113.7T576 F630P572-T576 WeakPolarHBondContact O-CB 3.43Å; P572-T576 WeakPolarHBondContact O-CG2 3.49Å; P572-T576 PolarHBondContact O-N 3.48Å; P572-T576 PolarHBondContact O-OG1 2.88Å; P572-F630 HydrophobicContact CB-CB 4.16Å; P572-F630 HydrophobicContact CG-CB 4.27Å
573L93.4Very high91.9Very high0 Ų024.9 Ų24.90%015%0.148CC..Hα-helixtrans-69.8-35.3174.9-56.3175.7000111.7V570 W571 M577 F578 V581 Y609 I610 F630V570-L573 WeakPolarHBondContact O-CB 3.36Å; V570-L573 PolarHBondContact O-N 3.12Å; W571-L573 PolarHBondContact O-N 2.97Å; L573-M577 CarbonylContact O-C 3.4Å; L573-M577 WeakPolarHBondContact O-CA 3.1Å; L573-M577 PolarHBondContact O-N 3.35Å; L573-F578 HydrophobicContact CB-CD1 4.35Å; L573-F578 HydrophobicContact CB-CE1 4.14Å; L573-F578 HydrophobicContact CB-CZ 4.25Å; L573-F578 HydrophobicContact CD1-CE1 4.27Å; L573-F578 HydrophobicContact CD2-CD1 4.16Å; L573-F578 HydrophobicContact CD2-CE1 4.29Å; L573-F578 HydrophobicContact CG-CE1 4.48Å; L573-F578 PolarHBondContact O-N 2.81Å; L573-V581 HydrophobicContact CD2-CG1 4.08Å; L573-V581 HydrophobicContact CD2-CG2 3.81Å; L573-Y609 HydrophobicContact CD1-CD1 3.58Å; L573-Y609 HydrophobicContact CD1-CE1 4.07Å; L573-Y609 HydrophobicContact CD1-CG 4.26Å; L573-Y609 HydrophobicContact CD2-CD1 4.02Å; L573-Y609 HydrophobicContact CD2-CE1 3.78Å; L573-Y609 HydrophobicContact CG-CD1 4.47Å; L573-I610 HydrophobicContact CD1-CG1 4.38Å; L573-F630 HydrophobicContact CD1-CD1 4.33Å; L573-F630 HydrophobicContact CD1-CE1 4.33Å; L573-F630 HydrophobicContact CD2-CD1 4.22Å; L573-F630 HydrophobicContact CG-CD1 4.26Å
574L93.3Very high92Very high0 Ų030.1 Ų30.10%015%0.15CC..Hα-helixtrans-79.9-47178.8-69.3179.5000112.6W529 I540 V570 W571 T576 M577 L602 L603 C606W529-L574 HydrophobicContact CH2-CB 3.8Å; W529-L574 HydrophobicContact CZ2-CB 4.02Å; W529-L574 HydrophobicContact CZ2-CD1 4.3Å; W529-L574 HydrophobicContact CZ2-CD2 4.1Å; W529-L574 HydrophobicContact CZ2-CG 4.37Å; I540-L574 HydrophobicContact CG2-CD1 4.05Å; V570-L574 HydrophobicContact CG1-CD1 3.92Å; V570-L574 HydrophobicContact CG1-CG 4.31Å; V570-L574 PolarHBondContact O-N 3.33Å; W571-L574 HydrophobicContact CE3-CB 4.06Å; W571-L574 HydrophobicContact CE3-CD1 4.41Å; W571-L574 HydrophobicContact CZ3-CB 4.22Å; W571-L574 CarbonylContact O-C 3.41Å; W571-L574 PolarHBondContact O-N 3.42Å; L574-T576 VanDerWaalsContact C-N 3.34Å; L574-T576 PolarHBondContact O-N 3.44Å; L574-M577 WeakPolarHBondContact O-CG 3.34Å; L574-M577 PolarHBondContact O-N 3.47Å; L574-L602 HydrophobicContact CD2-CD2 4.24Å; L574-L602 HydrophobicContact CD2-CG 4.14Å; L574-L603 HydrophobicContact CD1-CD2 4.2Å; L574-L603 HydrophobicContact CD2-CD2 4.2Å; L574-C606 WeakPolarHBondContact CD2-SG 3.23Å
575E91.1Very high92Very high34 Ų3434 Ų3416%0.15917%0.171CC..Hα-helixtrans-66.5-35.6-175.281.1-172.1155.200112.7L498 L499 W571 M577L498-E575 HydrophobicContact CD1-CG 4.37Å; L499-E575 WeakPolarHBondContact CA-O 3.29Å; L499-E575 PolarHBondContact N-O 2.71Å; W571-E575 HydrophobicContact CD2-CB 4.31Å; W571-E575 HydrophobicContact CH2-CB 4.38Å; W571-E575 HydrophobicContact CZ2-CB 3.72Å; W571-E575 PolarHBondContact NE1-OE2 2.8Å; W571-E575 PolarHBondContact O-N 2.9Å; E575-M577 VanDerWaalsContact C-N 3.33Å
576T92.3Very high92.1Very high8 Ų833.2 Ų33.25%0.04916%0.162CC..THydrogen-bonded Turntrans-86.9-4.3173.4700000112.8P572 L574 F578 S579 E580P572-T576 WeakPolarHBondContact O-CB 3.43Å; P572-T576 WeakPolarHBondContact O-CG2 3.49Å; P572-T576 PolarHBondContact O-N 3.48Å; P572-T576 PolarHBondContact O-OG1 2.88Å; L574-T576 VanDerWaalsContact C-N 3.34Å; L574-T576 PolarHBondContact O-N 3.44Å; T576-F578 VanDerWaalsContact C-N 3.26Å; T576-F578 PolarHBondContact O-N 2.86Å; T576-F578 PolarHBondContact OG1-N 3Å; T576-S579 VanDerWaalsContact O-CB 3.25Å; T576-S579 WeakPolarHBondContact O-CB 3.49Å; T576-S579 PolarHBondContact O-N 2.84Å; T576-S579 PolarHBondContact O-OG 3.04Å; T576-E580 HydrophobicContact CG2-CB 4.12Å
577M93.3Very high92.3Very high1 Ų133.1 Ų33.11%0.00516%0.16CC..THydrogen-bonded Turntrans47.747-169.3-69.2-69.8-114.600112.1L499 V521 W529 L573 L574 E575 S579 W587 F591 L602L499-M577 HydrophobicContact CD1-CG 4.2Å; L499-M577 HydrophobicContact CG-CG 3.92Å; V521-M577 HydrophobicContact CG1-CE 3.39Å; W529-M577 HydrophobicContact CH2-SD 4.35Å; L573-M577 CarbonylContact O-C 3.4Å; L573-M577 WeakPolarHBondContact O-CA 3.1Å; L573-M577 PolarHBondContact O-N 3.35Å; L574-M577 WeakPolarHBondContact O-CG 3.34Å; L574-M577 PolarHBondContact O-N 3.47Å; E575-M577 VanDerWaalsContact C-N 3.33Å; M577-S579 PolarHBondContact O-N 3.26Å; M577-S579 VanDerWaalsContact O-N 3.11Å; M577-W587 PolarHBondContact O-NE1 2.78Å; M577-F591 HydrophobicContact CB-CZ 4.19Å; M577-F591 HydrophobicContact CE-CE1 4.34Å; M577-F591 HydrophobicContact CE-CZ 4.13Å; M577-F591 HydrophobicContact SD-CZ 4.36Å; M577-L602 HydrophobicContact CE-CD2 4.12Å; M577-L602 HydrophobicContact SD-CD2 4.03Å
578F94.4Very high92.4Very high0 Ų029 Ų290%014%0.141CC..THydrogen-bonded Turntrans60.35.7-173.5-62.8-101.2000116.2L573 T576 E580 V581 L582 L590 L602 A605 C606 Y609L573-F578 HydrophobicContact CB-CD1 4.35Å; L573-F578 HydrophobicContact CB-CE1 4.14Å; L573-F578 HydrophobicContact CB-CZ 4.25Å; L573-F578 HydrophobicContact CD1-CE1 4.27Å; L573-F578 HydrophobicContact CD2-CD1 4.16Å; L573-F578 HydrophobicContact CD2-CE1 4.29Å; L573-F578 HydrophobicContact CG-CE1 4.48Å; L573-F578 PolarHBondContact O-N 2.81Å; T576-F578 VanDerWaalsContact C-N 3.26Å; T576-F578 PolarHBondContact O-N 2.86Å; T576-F578 PolarHBondContact OG1-N 3Å; F578-E580 VanDerWaalsContact C-N 3.26Å; F578-E580 PolarHBondContact O-N 3.11Å; F578-V581 HydrophobicContact CB-CG2 4.31Å; F578-V581 HydrophobicContact CD1-CG2 4.15Å; F578-L582 HydrophobicContact CB-CD1 3.88Å; F578-L582 HydrophobicContact CB-CG 4.07Å; F578-L582 HydrophobicContact CD1-CD1 4.42Å; F578-L582 HydrophobicContact CG-CD1 4.44Å; F578-L582 WeakPolarHBondContact O-CB 3.37Å; F578-L582 PolarHBondContact O-N 2.93Å; F578-L590 HydrophobicContact CB-CD2 4.14Å; F578-L590 HydrophobicContact CD1-CD2 4.11Å; F578-L590 HydrophobicContact CD2-CD2 3.7Å; F578-L590 HydrophobicContact CE1-CD2 4.38Å; F578-L590 HydrophobicContact CE2-CD2 4.01Å; F578-L590 HydrophobicContact CG-CD2 3.74Å; F578-L590 HydrophobicContact CZ-CD2 4.32Å; F578-L602 HydrophobicContact CD2-CD1 4.48Å; F578-L602 HydrophobicContact CE2-CD1 3.95Å; F578-A605 HydrophobicContact CZ-CB 4.45Å; F578-C606 HydrophobicContact CZ-CB 4.25Å; F578-C606 WeakPolarHBondContact CZ-SG 3.25Å; F578-Y609 HydrophobicContact CD1-CD2 4.46Å; F578-Y609 HydrophobicContact CE1-CD2 4.26Å; F578-Y609 HydrophobicContact CE1-CG 4.14Å
579S92Very high92.5Very high38 Ų3832.5 Ų32.527%0.26615%0.152SC..THydrogen-bonded Turntrans-77.2-8.4-170.771.60000115.2T576 M577T576-S579 VanDerWaalsContact O-CB 3.25Å; T576-S579 WeakPolarHBondContact O-CB 3.49Å; T576-S579 PolarHBondContact O-N 2.84Å; T576-S579 PolarHBondContact O-OG 3.04Å; M577-S579 PolarHBondContact O-N 3.26Å; M577-S579 VanDerWaalsContact O-N 3.11Å
580E91.6Very high92.7Very high73 Ų7332.4 Ų32.434%0.34115%0.152SC..THydrogen-bonded Turntrans-83.7-54.3170.1-176156.1-123.300111.4T576 F578 H631 R633T576-E580 HydrophobicContact CG2-CB 4.12Å; F578-E580 VanDerWaalsContact C-N 3.26Å; F578-E580 PolarHBondContact O-N 3.11Å; E580-H631 WeakPolarHBondContact CG-O 3.27Å; E580-H631 IonicContact OE2-CE1 3.41Å; E580-H631 IonicContact OE2-CG 2.83Å; E580-H631 IonicContact OE2-ND1 3.16Å; E580-H631 PolarHBondContact OE2-ND1 3.02Å; E580-R633 WeakPolarHBondContact O-CG 3.21Å; E580-R633 PolarHBondContact O-NE 2.6Å
581V92.4Very high92.8Very high5 Ų532.5 Ų32.53%0.0315%0.152CC..THydrogen-bonded Turntrans-75.4-31.5-174.5-57.40000114.5L573 F578 Y609 F630 H632 R633L573-V581 HydrophobicContact CD2-CG1 4.08Å; L573-V581 HydrophobicContact CD2-CG2 3.81Å; F578-V581 HydrophobicContact CB-CG2 4.31Å; F578-V581 HydrophobicContact CD1-CG2 4.15Å; V581-Y609 HydrophobicContact CB-CE2 4.44Å; V581-Y609 HydrophobicContact CG2-CE2 3.96Å; V581-F630 WeakPolarHBondContact CG1-O 3.22Å; V581-H632 WeakPolarHBondContact CG1-O 3.48Å; V581-R633 WeakPolarHBondContact O-CG 3.48Å
582L92.6Very high92.8Very high7 Ų731.8 Ų31.84%0.03715%0.15CC..SBendtrans-95153.7-179.6-62.1-174000113.1F578 E586 W587 L590 V638F578-L582 HydrophobicContact CB-CD1 3.88Å; F578-L582 HydrophobicContact CB-CG 4.07Å; F578-L582 HydrophobicContact CD1-CD1 4.42Å; F578-L582 HydrophobicContact CG-CD1 4.44Å; F578-L582 WeakPolarHBondContact O-CB 3.37Å; F578-L582 PolarHBondContact O-N 2.93Å; L582-E586 HydrophobicContact CB-CB 4.22Å; L582-E586 HydrophobicContact CD2-CB 4.48Å; L582-W587 HydrophobicContact CB-CB 4.3Å; L582-L590 HydrophobicContact CD1-CB 4.36Å; L582-L590 HydrophobicContact CD1-CD2 3.85Å; L582-V638 HydrophobicContact CD2-CG2 3.77Å
583T91.8Very high92.8Very high55 Ų5531.6 Ų31.634%0.33715%0.148SC..  trans-75.9170.9163.6730000111.4D585 E586 W587T583-D585 PolarHBondContact O-N 2.95Å; T583-E586 WeakPolarHBondContact CA-OE2 3.3Å; T583-E586 VanDerWaalsContact CB-OE2 3.22Å; T583-E586 WeakPolarHBondContact CB-OE2 3.22Å; T583-E586 VanDerWaalsContact CG2-OE2 3.3Å; T583-E586 WeakPolarHBondContact CG2-OE2 3.48Å; T583-E586 PolarHBondContact N-OE2 2.89Å; T583-E586 PolarHBondContact OG1-OE2 2.86Å; T583-W587 VanDerWaalsContact O-CB 3.24Å; T583-W587 WeakPolarHBondContact O-CB 3.49Å; T583-W587 PolarHBondContact O-N 3.42Å
584R91.2Very high92.8Very high164 Ų16431.6 Ų31.662%0.61915%0.148SC*.Hα-helixtrans-57-46.8-176.5-177.9-173.2-177.1-175.3-0.8112.8W587 L588R584-W587 PolarHBondContact O-N 3.15Å; R584-L588 HydrophobicContact CG-CD1 4.22Å; R584-L588 VanDerWaalsContact O-CG 3.28Å; R584-L588 WeakPolarHBondContact O-CG 3.45Å; R584-L588 PolarHBondContact O-N 2.98Å
585D90.8Very high92.8Very high89 Ų8931.8 Ų31.848%0.47615%0.149SC..Hα-helixtrans-83.3-31.5-168.4-58.4-62.6000111.3T583 L588 R589T583-D585 PolarHBondContact O-N 2.95Å; D585-L588 PolarHBondContact O-N 3.04Å; D585-R589 VanDerWaalsContact O-CG 3.26Å; D585-R589 WeakPolarHBondContact O-CG 3.29Å; D585-R589 PolarHBondContact O-N 3.07Å
586E92.4Very high92.8Very high57 Ų5730.3 Ų30.327%0.26614%0.142SC..Hα-helixtrans-59.4-47.1164-74.9153-173.700112.4L582 T583 L588 R589 L590 V638L582-E586 HydrophobicContact CB-CB 4.22Å; L582-E586 HydrophobicContact CD2-CB 4.48Å; T583-E586 WeakPolarHBondContact CA-OE2 3.3Å; T583-E586 VanDerWaalsContact CB-OE2 3.22Å; T583-E586 WeakPolarHBondContact CB-OE2 3.22Å; T583-E586 VanDerWaalsContact CG2-OE2 3.3Å; T583-E586 WeakPolarHBondContact CG2-OE2 3.48Å; T583-E586 PolarHBondContact N-OE2 2.89Å; T583-E586 PolarHBondContact OG1-OE2 2.86Å; E586-L588 VanDerWaalsContact C-N 3.32Å; E586-L588 PolarHBondContact O-N 2.98Å; E586-R589 WeakPolarHBondContact O-CB 3.38Å; E586-R589 PolarHBondContact O-N 2.85Å; E586-R589 VanDerWaalsContact O-N 3.14Å; E586-L590 PolarHBondContact O-N 2.89Å; E586-V638 HydrophobicContact CB-CB 4.4Å; E586-V638 HydrophobicContact CB-CG1 4.43Å; E586-V638 HydrophobicContact CB-CG2 3.98Å; E586-V638 HydrophobicContact CG-CB 4.16Å; E586-V638 HydrophobicContact CG-CG2 3.79Å
587W94.5Very high92.7Very high11 Ų1131.5 Ų31.54%0.04215%0.148CC..Hα-helixtrans-60.2-41.9176.5-17394.8000111.7W433 P502 F503 L506 M577 L582 T583 R584 R589 L590 F591W433-W587 HydrophobicContact CH2-CH2 4.5Å; W433-W587 AromaticContact CH2-CZ3 3.81Å; W433-W587 HydrophobicContact CH2-CZ3 3.81Å; W433-W587 HydrophobicContact CZ3-CZ3 4.26Å; P502-W587 HydrophobicContact CB-CH2 4.16Å; P502-W587 HydrophobicContact CB-CZ2 3.64Å; P502-W587 HydrophobicContact CG-CZ2 3.98Å; F503-W587 AromaticContact CD1-CH2 4Å; F503-W587 HydrophobicContact CD1-CH2 4Å; F503-W587 AromaticContact CE1-CH2 3.62Å; F503-W587 HydrophobicContact CE1-CH2 3.62Å; F503-W587 HydrophobicContact CE1-CZ2 4.08Å; F503-W587 HydrophobicContact CZ-CH2 4.06Å; F503-W587 HydrophobicContact CZ-CZ2 4.03Å; L506-W587 HydrophobicContact CD1-CE3 4.09Å; L506-W587 HydrophobicContact CD1-CH2 4.08Å; L506-W587 HydrophobicContact CD1-CZ3 3.36Å; M577-W587 PolarHBondContact O-NE1 2.78Å; L582-W587 HydrophobicContact CB-CB 4.3Å; T583-W587 VanDerWaalsContact O-CB 3.24Å; T583-W587 WeakPolarHBondContact O-CB 3.49Å; T583-W587 PolarHBondContact O-N 3.42Å; R584-W587 PolarHBondContact O-N 3.15Å; W587-R589 VanDerWaalsContact C-N 3.34Å; W587-R589 PolarHBondContact O-N 2.69Å; W587-L590 PolarHBondContact O-N 3.08Å; W587-F591 AromaticContact CD2-CD2 3.77Å; W587-F591 HydrophobicContact CD2-CD2 3.77Å; W587-F591 HydrophobicContact CD2-CE2 4.25Å; W587-F591 AromaticContact CE2-CD2 3.4Å; W587-F591 VanDerWaalsContact CE2-CD2 3.4Å; W587-F591 AromaticContact CE2-CE2 3.45Å; W587-F591 VanDerWaalsContact CE2-CE2 3.45Å; W587-F591 HydrophobicContact CE3-CD2 4.15Å; W587-F591 HydrophobicContact CG-CD2 4.35Å; W587-F591 HydrophobicContact CH2-CB 4.4Å; W587-F591 HydrophobicContact CH2-CD1 4.33Å; W587-F591 AromaticContact CH2-CD2 3.87Å; W587-F591 HydrophobicContact CH2-CD2 3.87Å; W587-F591 HydrophobicContact CH2-CE2 4.26Å; W587-F591 AromaticContact CH2-CG 3.91Å; W587-F591 HydrophobicContact CH2-CG 3.91Å; W587-F591 HydrophobicContact CZ2-CD1 4.37Å; W587-F591 AromaticContact CZ2-CD2 3.46Å; W587-F591 HydrophobicContact CZ2-CD2 3.46Å; W587-F591 VanDerWaalsContact CZ2-CD2 3.46Å; W587-F591 HydrophobicContact CZ2-CE1 4.36Å; W587-F591 AromaticContact CZ2-CE2 3.46Å; W587-F591 HydrophobicContact CZ2-CE2 3.46Å; W587-F591 VanDerWaalsContact CZ2-CE2 3.46Å; W587-F591 AromaticContact CZ2-CG 3.94Å; W587-F591 HydrophobicContact CZ2-CG 3.94Å; W587-F591 AromaticContact CZ2-CZ 3.93Å; W587-F591 HydrophobicContact CZ2-CZ 3.93Å; W587-F591 HydrophobicContact CZ3-CB 4.25Å; W587-F591 HydrophobicContact CZ3-CD2 4.18Å; W587-F591 HydrophobicContact CZ3-CG 4.2Å; W587-F591 AromaticContact NE1-CD2 3.81Å; W587-F591 AromaticContact NE1-CE2 3.51Å; W587-F591 PolarHBondContact O-N 2.89Å
588L94Very high92.6Very high11 Ų1132.2 Ų32.26%0.05815%0.152CC..Hα-helixtrans-64.3-36.6174.9-70.3170.1000112.4W433 L506 R584 D585 E586 F591 D592W433-L588 HydrophobicContact CH2-CD2 3.64Å; W433-L588 HydrophobicContact CZ2-CD2 4.11Å; W433-L588 HydrophobicContact CZ3-CD2 4.42Å; L506-L588 HydrophobicContact CD1-CD2 3.75Å; L506-L588 HydrophobicContact CD2-CD2 4.17Å; R584-L588 HydrophobicContact CG-CD1 4.22Å; R584-L588 VanDerWaalsContact O-CG 3.28Å; R584-L588 WeakPolarHBondContact O-CG 3.45Å; R584-L588 PolarHBondContact O-N 2.98Å; D585-L588 PolarHBondContact O-N 3.04Å; E586-L588 VanDerWaalsContact C-N 3.32Å; E586-L588 PolarHBondContact O-N 2.98Å; L588-F591 PolarHBondContact O-N 2.92Å; L588-D592 VanDerWaalsContact O-CG 3.22Å; L588-D592 PolarHBondContact O-N 3.01Å
589R92.6Very high92.4Very high106 Ų10632.3 Ų32.340%0.415%0.152SC..Hα-helixtrans-67.7-40.4174.6-72.7167.6173.5-173.9-6.3112.4E423 D585 E586 W587 N593 I642E423-R589 HydrophobicContact CB-CG 3.79Å; E423-R589 VanDerWaalsContact CD-NE 3.28Å; E423-R589 IonicContact OE1-CZ 2.6Å; E423-R589 IonicContact OE1-NE 2.67Å; E423-R589 PolarHBondContact OE1-NE 2.92Å; E423-R589 IonicContact OE1-NH2 3.39Å; E423-R589 PolarHBondContact OE1-NH2 2.82Å; E423-R589 WeakPolarHBondContact OE2-CG 3.43Å; E423-R589 IonicContact OE2-CZ 3.97Å; E423-R589 IonicContact OE2-NE 2.8Å; E423-R589 PolarHBondContact OE2-NE 2.83Å; E423-R589 VanDerWaalsContact OE2-NE 3.08Å; E423-R589 IonicContact OE2-NH2 3.36Å; D585-R589 VanDerWaalsContact O-CG 3.26Å; D585-R589 WeakPolarHBondContact O-CG 3.29Å; D585-R589 PolarHBondContact O-N 3.07Å; E586-R589 WeakPolarHBondContact O-CB 3.38Å; E586-R589 PolarHBondContact O-N 2.85Å; E586-R589 VanDerWaalsContact O-N 3.14Å; W587-R589 VanDerWaalsContact C-N 3.34Å; W587-R589 PolarHBondContact O-N 2.69Å; R589-N593 PolarHBondContact O-ND2 2.8Å; R589-I642 HydrophobicContact CB-CD1 4.36Å
590L94.1Very high92.4Very high0 Ų030.7 Ų30.70%014%0.141CC..Hα-helixtrans-61.2-49.9172176.156.9000110.5F578 L582 E586 W587 D592 N593 V594 A605 M641F578-L590 HydrophobicContact CB-CD2 4.14Å; F578-L590 HydrophobicContact CD1-CD2 4.11Å; F578-L590 HydrophobicContact CD2-CD2 3.7Å; F578-L590 HydrophobicContact CE1-CD2 4.38Å; F578-L590 HydrophobicContact CE2-CD2 4.01Å; F578-L590 HydrophobicContact CG-CD2 3.74Å; F578-L590 HydrophobicContact CZ-CD2 4.32Å; L582-L590 HydrophobicContact CD1-CB 4.36Å; L582-L590 HydrophobicContact CD1-CD2 3.85Å; E586-L590 PolarHBondContact O-N 2.89Å; W587-L590 PolarHBondContact O-N 3.08Å; L590-D592 PolarHBondContact O-N 2.76Å; L590-N593 CarbonylContact O-C 3.55Å; L590-N593 WeakPolarHBondContact O-CA 3.4Å; L590-N593 WeakPolarHBondContact O-CB 3.5Å; L590-N593 PolarHBondContact O-N 2.86Å; L590-V594 HydrophobicContact CD1-CG2 3.91Å; L590-V594 HydrophobicContact CG-CG2 4.09Å; L590-V594 WeakPolarHBondContact O-CG2 3.39Å; L590-V594 PolarHBondContact O-N 2.78Å; L590-A605 HydrophobicContact CD1-CB 3.79Å; L590-M641 HydrophobicContact CD1-CE 3.99Å; L590-M641 HydrophobicContact CD2-CE 4.5Å
591F94.3Very high92.5Very high1 Ų127.4 Ų27.40%0.00413%0.126CC..Hα-helixtrans-71.7-26.5-176.9-88-91.2000114.9W433 F503 M577 W587 L588 N593 V594 F595W433-F591 HydrophobicContact CH2-CB 3.7Å; W433-F591 HydrophobicContact CZ2-CB 3.76Å; F503-F591 HydrophobicContact CE1-CD1 4.38Å; F503-F591 HydrophobicContact CE1-CE1 4.29Å; F503-F591 HydrophobicContact CZ-CD1 4.39Å; F503-F591 AromaticContact CZ-CE1 3.85Å; F503-F591 HydrophobicContact CZ-CE1 3.85Å; F503-F591 HydrophobicContact CZ-CZ 4.27Å; M577-F591 HydrophobicContact CB-CZ 4.19Å; M577-F591 HydrophobicContact CE-CE1 4.34Å; M577-F591 HydrophobicContact CE-CZ 4.13Å; M577-F591 HydrophobicContact SD-CZ 4.36Å; W587-F591 AromaticContact CD2-CD2 3.77Å; W587-F591 HydrophobicContact CD2-CD2 3.77Å; W587-F591 HydrophobicContact CD2-CE2 4.25Å; W587-F591 AromaticContact CE2-CD2 3.4Å; W587-F591 VanDerWaalsContact CE2-CD2 3.4Å; W587-F591 AromaticContact CE2-CE2 3.45Å; W587-F591 VanDerWaalsContact CE2-CE2 3.45Å; W587-F591 HydrophobicContact CE3-CD2 4.15Å; W587-F591 HydrophobicContact CG-CD2 4.35Å; W587-F591 HydrophobicContact CH2-CB 4.4Å; W587-F591 HydrophobicContact CH2-CD1 4.33Å; W587-F591 AromaticContact CH2-CD2 3.87Å; W587-F591 HydrophobicContact CH2-CD2 3.87Å; W587-F591 HydrophobicContact CH2-CE2 4.26Å; W587-F591 AromaticContact CH2-CG 3.91Å; W587-F591 HydrophobicContact CH2-CG 3.91Å; W587-F591 HydrophobicContact CZ2-CD1 4.37Å; W587-F591 AromaticContact CZ2-CD2 3.46Å; W587-F591 HydrophobicContact CZ2-CD2 3.46Å; W587-F591 VanDerWaalsContact CZ2-CD2 3.46Å; W587-F591 HydrophobicContact CZ2-CE1 4.36Å; W587-F591 AromaticContact CZ2-CE2 3.46Å; W587-F591 HydrophobicContact CZ2-CE2 3.46Å; W587-F591 VanDerWaalsContact CZ2-CE2 3.46Å; W587-F591 AromaticContact CZ2-CG 3.94Å; W587-F591 HydrophobicContact CZ2-CG 3.94Å; W587-F591 AromaticContact CZ2-CZ 3.93Å; W587-F591 HydrophobicContact CZ2-CZ 3.93Å; W587-F591 HydrophobicContact CZ3-CB 4.25Å; W587-F591 HydrophobicContact CZ3-CD2 4.18Å; W587-F591 HydrophobicContact CZ3-CG 4.2Å; W587-F591 AromaticContact NE1-CD2 3.81Å; W587-F591 AromaticContact NE1-CE2 3.51Å; W587-F591 PolarHBondContact O-N 2.89Å; L588-F591 PolarHBondContact O-N 2.92Å; F591-N593 PolarHBondContact O-N 3.36Å; F591-V594 HydrophobicContact CD1-CB 4.21Å; F591-V594 HydrophobicContact CD1-CG1 4.3Å; F591-V594 HydrophobicContact CE1-CB 4.48Å; F591-V594 HydrophobicContact CE1-CG1 4.17Å; F591-V594 PolarHBondContact O-N 2.8Å; F591-F595 HydrophobicContact CD1-CD1 4.47Å; F591-F595 AromaticContact CD1-CE1 3.94Å; F591-F595 HydrophobicContact CD1-CE1 3.94Å; F591-F595 HydrophobicContact CD1-CE2 4.02Å; F591-F595 AromaticContact CD1-CZ 3.71Å; F591-F595 HydrophobicContact CD1-CZ 3.71Å; F591-F595 HydrophobicContact CE1-CE1 4.28Å; F591-F595 HydrophobicContact CE1-CZ 4.26Å; F591-F595 PolarHBondContact O-N 3.49Å
592D93.9Very high92.6Very high0 Ų027.3 Ų27.30%013%0.125CC..Hα-helixtrans-54.5-39.8164.9-77-16.8000111.4L418 F424 R429 W433 L588 L590 S596L418-D592 HydrophobicContact CD1-CB 3.86Å; L418-D592 HydrophobicContact CD2-CB 4.37Å; L418-D592 VanDerWaalsContact CD2-O 3.3Å; L418-D592 WeakPolarHBondContact CD2-O 3.45Å; F424-D592 HydrophobicContact CD2-CB 3.75Å; F424-D592 VanDerWaalsContact CD2-CG 3.48Å; F424-D592 WeakPolarHBondContact CD2-OD1 3.26Å; F424-D592 HydrophobicContact CE2-CB 4.11Å; F424-D592 PolarHBondContact N-OD2 2.79Å; R429-D592 WeakPolarHBondContact CD-OD1 3.49Å; R429-D592 WeakPolarHBondContact CG-OD1 3.46Å; R429-D592 IonicContact CZ-OD1 3.65Å; R429-D592 IonicContact CZ-OD2 3.05Å; R429-D592 VanDerWaalsContact CZ-OD2 3.23Å; R429-D592 VanDerWaalsContact NE-CG 3.28Å; R429-D592 IonicContact NE-OD1 3.78Å; R429-D592 PolarHBondContact NE-OD1 3.23Å; R429-D592 IonicContact NE-OD2 3.7Å; R429-D592 PolarHBondContact NE-OD2 2.84Å; R429-D592 IonicContact NH2-OD2 3.9Å; R429-D592 PolarHBondContact NH2-OD2 2.68Å; W433-D592 PolarHBondContact NE1-OD1 2.86Å; L588-D592 VanDerWaalsContact O-CG 3.22Å; L588-D592 PolarHBondContact O-N 3.01Å; L590-D592 PolarHBondContact O-N 2.76Å; D592-S596 VanDerWaalsContact O-CB 3.3Å; D592-S596 WeakPolarHBondContact O-CB 3.44Å; D592-S596 PolarHBondContact O-N 2.9Å; D592-S596 PolarHBondContact O-OG 2.98Å
593N92.6Very high92.6Very high3 Ų327.2 Ų27.22%0.01612%0.124CC..Hα-helixtrans-80.5-43178.4-72.2-90.3000111.8L418 R589 L590 F591 F595 S596 N597 F601 Y646L418-N593 HydrophobicContact CD2-CB 4.28Å; L418-N593 WeakPolarHBondContact CD2-OD1 3.46Å; R589-N593 PolarHBondContact O-ND2 2.8Å; L590-N593 CarbonylContact O-C 3.55Å; L590-N593 WeakPolarHBondContact O-CA 3.4Å; L590-N593 WeakPolarHBondContact O-CB 3.5Å; L590-N593 PolarHBondContact O-N 2.86Å; F591-N593 PolarHBondContact O-N 3.36Å; N593-F595 VanDerWaalsContact C-N 3.34Å; N593-F595 PolarHBondContact O-N 2.88Å; N593-S596 PolarHBondContact O-N 3.41Å; N593-S596 VanDerWaalsContact O-N 3.11Å; N593-N597 PolarHBondContact O-N 2.84Å; N593-N597 PolarHBondContact O-ND2 2.8Å; N593-F601 HydrophobicContact CB-CE1 3.73Å; N593-F601 HydrophobicContact CB-CZ 4.13Å; N593-Y646 WeakPolarHBondContact OD1-CE2 3.48Å
594V93.6Very high92.8Very high0 Ų024.6 Ų24.60%011%0.108CC..Hα-helixtrans-57.8-43.5178.2174.40000111.8W525 L590 F591 F601 L602W525-V594 WeakPolarHBondContact CZ2-O 3.49Å; L590-V594 HydrophobicContact CD1-CG2 3.91Å; L590-V594 HydrophobicContact CG-CG2 4.09Å; L590-V594 WeakPolarHBondContact O-CG2 3.39Å; L590-V594 PolarHBondContact O-N 2.78Å; F591-V594 HydrophobicContact CD1-CB 4.21Å; F591-V594 HydrophobicContact CD1-CG1 4.3Å; F591-V594 HydrophobicContact CE1-CB 4.48Å; F591-V594 HydrophobicContact CE1-CG1 4.17Å; F591-V594 PolarHBondContact O-N 2.8Å; V594-F601 HydrophobicContact CG2-CD1 4.21Å; V594-L602 HydrophobicContact CG1-CB 4.33Å; V594-L602 HydrophobicContact CG1-CD1 4.41Å; V594-L602 HydrophobicContact CG2-CD1 4.15Å
595F93.1Very high92.9Very high4 Ų416.8 Ų16.82%0.0188%0.079CC..THydrogen-bonded Turntrans-78.6-13.4177.9-63.7-29.2000114.8W433 L436 L437 F503 V521 W525 F591 N593W433-F595 HydrophobicContact CB-CD2 4.48Å; W433-F595 AromaticContact CD2-CD2 3.76Å; W433-F595 HydrophobicContact CD2-CD2 3.76Å; W433-F595 AromaticContact CD2-CE2 3.87Å; W433-F595 HydrophobicContact CD2-CE2 3.87Å; W433-F595 AromaticContact CE2-CD2 3.99Å; W433-F595 HydrophobicContact CE3-CD2 4.09Å; W433-F595 AromaticContact CE3-CE2 3.68Å; W433-F595 HydrophobicContact CE3-CE2 3.68Å; W433-F595 AromaticContact CG-CD2 3.96Å; W433-F595 HydrophobicContact CG-CD2 3.96Å; W433-F595 HydrophobicContact CG-CE2 4.41Å; W433-F595 HydrophobicContact CH2-CE2 4.3Å; W433-F595 HydrophobicContact CZ2-CD2 4.46Å; W433-F595 AromaticContact CZ3-CE2 3.91Å; W433-F595 HydrophobicContact CZ3-CE2 3.91Å; L436-F595 HydrophobicContact CD1-CB 4.44Å; L437-F595 HydrophobicContact CD1-CD2 4.26Å; L437-F595 HydrophobicContact CD1-CE1 4.33Å; L437-F595 HydrophobicContact CD1-CE2 4.05Å; L437-F595 HydrophobicContact CD1-CG 4.49Å; L437-F595 HydrophobicContact CD1-CZ 4.06Å; L437-F595 HydrophobicContact CD2-CD1 3.78Å; L437-F595 HydrophobicContact CD2-CE1 4.05Å; L437-F595 HydrophobicContact CD2-CG 4.11Å; L437-F595 HydrophobicContact CG-CG 4.42Å; F503-F595 AromaticContact CE1-CZ 3.96Å; F503-F595 HydrophobicContact CE1-CZ 3.96Å; V521-F595 HydrophobicContact CG2-CE1 3.84Å; V521-F595 HydrophobicContact CG2-CZ 3.99Å; W525-F595 AromaticContact CH2-CD1 3.75Å; W525-F595 HydrophobicContact CH2-CD1 3.75Å; W525-F595 HydrophobicContact CH2-CE1 4.28Å; W525-F595 AromaticContact CZ2-CD1 3.8Å; W525-F595 HydrophobicContact CZ2-CD1 3.8Å; W525-F595 HydrophobicContact CZ2-CE1 4.49Å; W525-F595 HydrophobicContact CZ3-CD1 4.26Å; W525-F595 HydrophobicContact CZ3-CE1 4.34Å; F591-F595 HydrophobicContact CD1-CD1 4.47Å; F591-F595 AromaticContact CD1-CE1 3.94Å; F591-F595 HydrophobicContact CD1-CE1 3.94Å; F591-F595 HydrophobicContact CD1-CE2 4.02Å; F591-F595 AromaticContact CD1-CZ 3.71Å; F591-F595 HydrophobicContact CD1-CZ 3.71Å; F591-F595 HydrophobicContact CE1-CE1 4.28Å; F591-F595 HydrophobicContact CE1-CZ 4.26Å; F591-F595 PolarHBondContact O-N 3.49Å; N593-F595 VanDerWaalsContact C-N 3.34Å; N593-F595 PolarHBondContact O-N 2.88Å
596S90.6Very high93.1Very high4 Ų412.6 Ų12.63%0.0286%0.056CC..THydrogen-bonded Turntrans-89.5-23.1177.9-65.60000113.5L418 F424 D592 N593L418-S596 WeakPolarHBondContact CD2-OG 3.28Å; F424-S596 WeakPolarHBondContact CE2-OG 3.43Å; F424-S596 WeakPolarHBondContact CZ-OG 3.11Å; D592-S596 VanDerWaalsContact O-CB 3.3Å; D592-S596 WeakPolarHBondContact O-CB 3.44Å; D592-S596 PolarHBondContact O-N 2.9Å; D592-S596 PolarHBondContact O-OG 2.98Å; N593-S596 PolarHBondContact O-N 3.41Å; N593-S596 VanDerWaalsContact O-N 3.11Å
597N90.4Very high93.3Very high32 Ų329.9 Ų9.917%0.1714%0.044CC..SBendtrans-103.3-169.9-176.6-63-68.6000112.1N593 F601 Y646N593-N597 PolarHBondContact O-N 2.84Å; N593-N597 PolarHBondContact O-ND2 2.8Å; N597-F601 HydrophobicContact CB-CB 3.73Å; N597-F601 HydrophobicContact CB-CD1 4.37Å; N597-F601 HydrophobicContact CB-CD2 4Å; N597-F601 HydrophobicContact CB-CG 3.77Å; N597-Y646 PolarHBondContact ND2-OH 3.27Å; N597-Y646 WeakPolarHBondContact OD1-CE1 3.17Å; N597-Y646 PolarHBondContact OD1-OH 2.81Å
598H90.8Very high93.3Very high16 Ų169.3 Ų9.37%0.0744%0.042CC..  trans-75.5151.9172.5-177.6-101.6000111.2S600 F601 R659 D664H598-S600 PolarHBondContact ND1-N 2.98Å; H598-S600 PolarHBondContact ND1-OG 3.25Å; H598-S600 PolarHBondContact O-N 3.27Å; H598-S600 VanDerWaalsContact O-N 3.08Å; H598-F601 WeakPolarHBondContact O-CB 3.5Å; H598-F601 PolarHBondContact O-N 2.9Å; H598-R659 PolarHBondContact CD2-NH1 2.86Å; H598-D664 IonicContact CD2-OD1 3.92Å; H598-D664 PolarHBondContact CD2-OD1 2.96Å; H598-D664 IonicContact NE2-OD1 2.67Å; H598-D664 PolarHBondContact NE2-OD1 3.25Å
599P91.9Very high93.3Very high3 Ų38.9 Ų8.92%0.0194%0.039CC..THydrogen-bonded Turntrans-52.7-34.8-177.3-31.437.9000116.1N524 W525 F601 L602N524-P599 HydrophobicContact CB-CG 4.39Å; N524-P599 VanDerWaalsContact O-CB 3.23Å; N524-P599 WeakPolarHBondContact O-CB 3.4Å; W525-P599 HydrophobicContact CD2-CB 4.45Å; W525-P599 HydrophobicContact CG-CB 4.22Å; P599-F601 PolarHBondContact O-N 2.74Å; P599-L602 PolarHBondContact O-N 2.85Å; P599-L602 VanDerWaalsContact O-N 3.16Å
600S92.3Very high93.4Very high3 Ų33.9 Ų3.92%0.0212%0.02CC..THydrogen-bonded Turntrans-57.6-17.7174.460.90000115.2H598 L602 L603 M604H598-S600 PolarHBondContact ND1-N 2.98Å; H598-S600 PolarHBondContact ND1-OG 3.25Å; H598-S600 PolarHBondContact O-N 3.27Å; H598-S600 VanDerWaalsContact O-N 3.08Å; S600-L602 PolarHBondContact O-N 2.63Å; S600-L603 PolarHBondContact O-N 3.27Å; S600-L603 VanDerWaalsContact O-N 3.12Å; S600-M604 PolarHBondContact O-N 2.88Å; S600-M604 VanDerWaalsContact O-N 3.16Å
601F93.6Very high93.4Very high5 Ų55.1 Ų5.12%0.0223%0.027CC..Hα-helixtrans-62-26.3176.2-172.1-92.7000112.8N593 V594 N597 H598 P599 L603 M604 A605 A645 Y646N593-F601 HydrophobicContact CB-CE1 3.73Å; N593-F601 HydrophobicContact CB-CZ 4.13Å; V594-F601 HydrophobicContact CG2-CD1 4.21Å; N597-F601 HydrophobicContact CB-CB 3.73Å; N597-F601 HydrophobicContact CB-CD1 4.37Å; N597-F601 HydrophobicContact CB-CD2 4Å; N597-F601 HydrophobicContact CB-CG 3.77Å; H598-F601 WeakPolarHBondContact O-CB 3.5Å; H598-F601 PolarHBondContact O-N 2.9Å; P599-F601 PolarHBondContact O-N 2.74Å; F601-L603 VanDerWaalsContact C-N 3.34Å; F601-M604 PolarHBondContact O-N 2.77Å; F601-A605 WeakPolarHBondContact O-CB 3.46Å; F601-A605 PolarHBondContact O-N 3.22Å; F601-A645 HydrophobicContact CE2-CB 4.15Å; F601-A645 HydrophobicContact CZ-CB 3.96Å; F601-Y646 AromaticContact CE2-CD1 3.97Å; F601-Y646 HydrophobicContact CE2-CD1 3.97Å; F601-Y646 HydrophobicContact CE2-CD2 4.39Å; F601-Y646 AromaticContact CE2-CE1 3.92Å; F601-Y646 HydrophobicContact CE2-CE1 3.92Å; F601-Y646 HydrophobicContact CE2-CE2 4.37Å; F601-Y646 HydrophobicContact CE2-CG 4.21Å; F601-Y646 HydrophobicContact CZ-CD2 4.42Å; F601-Y646 HydrophobicContact CZ-CE2 4.27Å
602L94Very high93.3Very high2 Ų27.2 Ų7.21%0.014%0.042CC..Hα-helixtrans-63.4-41174-178.162.9000111.5W525 L574 M577 F578 V594 P599 S600 A605 C606W525-L602 HydrophobicContact CB-CD2 4.09Å; W525-L602 HydrophobicContact CG-CD2 4.47Å; L574-L602 HydrophobicContact CD2-CD2 4.24Å; L574-L602 HydrophobicContact CD2-CG 4.14Å; M577-L602 HydrophobicContact CE-CD2 4.12Å; M577-L602 HydrophobicContact SD-CD2 4.03Å; F578-L602 HydrophobicContact CD2-CD1 4.48Å; F578-L602 HydrophobicContact CE2-CD1 3.95Å; V594-L602 HydrophobicContact CG1-CB 4.33Å; V594-L602 HydrophobicContact CG1-CD1 4.41Å; V594-L602 HydrophobicContact CG2-CD1 4.15Å; P599-L602 PolarHBondContact O-N 2.85Å; P599-L602 VanDerWaalsContact O-N 3.16Å; S600-L602 PolarHBondContact O-N 2.63Å; L602-A605 PolarHBondContact O-N 2.99Å; L602-C606 PolarHBondContact O-N 2.99Å; L602-C606 VanDerWaalsContact O-N 3.09Å; L602-C606 PolarHBondContact O-SG 2.82Å
603L93.3Very high93.2Very high6 Ų67.5 Ų7.53%0.0314%0.044CC..Hα-helixtrans-70.3-39.4176.2-53.8-176.9000111.5I540 M543 L574 S600 F601 A605 C606 V607 P658 L662I540-L603 HydrophobicContact CG2-CD1 4.05Å; I540-L603 HydrophobicContact CG2-CD2 3.51Å; I540-L603 HydrophobicContact CG2-CG 4.44Å; M543-L603 HydrophobicContact CB-CD1 4.46Å; L574-L603 HydrophobicContact CD1-CD2 4.2Å; L574-L603 HydrophobicContact CD2-CD2 4.2Å; S600-L603 PolarHBondContact O-N 3.27Å; S600-L603 VanDerWaalsContact O-N 3.12Å; F601-L603 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 3.19Å; L603-C606 WeakPolarHBondContact O-CB 3.49Å; L603-C606 PolarHBondContact O-N 2.63Å; L603-V607 PolarHBondContact O-N 2.86Å; L603-V607 VanDerWaalsContact O-N 3.1Å; L603-P658 HydrophobicContact CD1-CB 4.17Å; L603-P658 HydrophobicContact CD1-CG 4.16Å; L603-L662 HydrophobicContact CD1-CD1 4.05Å
604M94.3Very high93.2Very high0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-60.6-35.8172.7-59.8-59.1-164.800111.6I547 S600 F601 A608 I648 T649 T652 H657I547-M604 HydrophobicContact CD1-CE 4.49Å; I547-M604 HydrophobicContact CD1-SD 4Å; I547-M604 HydrophobicContact CG2-SD 4.14Å; S600-M604 PolarHBondContact O-N 2.88Å; S600-M604 VanDerWaalsContact O-N 3.16Å; F601-M604 PolarHBondContact O-N 2.77Å; M604-A608 VanDerWaalsContact O-CB 3.23Å; M604-A608 WeakPolarHBondContact O-CB 3.5Å; M604-A608 PolarHBondContact O-N 3.34Å; M604-I648 HydrophobicContact SD-CG2 3.7Å; M604-T649 WeakPolarHBondContact CG-OG1 3.25Å; M604-T652 HydrophobicContact CE-CG2 4.34Å; M604-H657 HydrophobicContact CE-CB 4.46Å
605A94.4Very high93Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-70.1-35174.800000113F578 L590 F601 L602 L603 A608 Y609F578-A605 HydrophobicContact CZ-CB 4.45Å; L590-A605 HydrophobicContact CD1-CB 3.79Å; F601-A605 WeakPolarHBondContact O-CB 3.46Å; F601-A605 PolarHBondContact O-N 3.22Å; L602-A605 PolarHBondContact O-N 2.99Å; L603-A605 PolarHBondContact O-N 3.19Å; A605-A608 PolarHBondContact O-N 3.03Å; A605-Y609 WeakPolarHBondContact O-CB 3.45Å; A605-Y609 PolarHBondContact O-N 2.94Å
606C94.8Very high92.8Very high0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-61.4-50.2172-62.30000111.1V570 L574 F578 L602 L603 A608 Y609 I610V570-C606 HydrophobicContact CG1-CB 4.2Å; L574-C606 WeakPolarHBondContact CD2-SG 3.23Å; F578-C606 HydrophobicContact CZ-CB 4.25Å; F578-C606 WeakPolarHBondContact CZ-SG 3.25Å; L602-C606 PolarHBondContact O-N 2.99Å; L602-C606 VanDerWaalsContact O-N 3.09Å; L602-C606 PolarHBondContact O-SG 2.82Å; L603-C606 WeakPolarHBondContact O-CB 3.49Å; L603-C606 PolarHBondContact O-N 2.63Å; C606-A608 VanDerWaalsContact C-N 3.34Å; C606-A608 PolarHBondContact O-N 3.38Å; C606-Y609 WeakPolarHBondContact O-CB 3.31Å; C606-Y609 PolarHBondContact O-N 3.11Å; C606-I610 VanDerWaalsContact O-CD1 3.32Å; C606-I610 WeakPolarHBondContact O-CD1 3.47Å; C606-I610 VanDerWaalsContact O-CG1 3.32Å; C606-I610 WeakPolarHBondContact O-CG1 3.33Å; C606-I610 PolarHBondContact O-N 3.48Å
607V95.4Very high92.8Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-66.3-36.9179.6-178.50000111.4A544 I547 L548 L603 I610 I611A544-V607 HydrophobicContact CB-CG2 4.16Å; A544-V607 WeakPolarHBondContact O-CG2 3.36Å; I547-V607 HydrophobicContact CB-CG2 4.21Å; I547-V607 HydrophobicContact CG2-CB 4.33Å; I547-V607 HydrophobicContact CG2-CG1 4.04Å; I547-V607 HydrophobicContact CG2-CG2 4.26Å; L548-V607 HydrophobicContact CB-CG1 4.05Å; L548-V607 HydrophobicContact CD1-CG1 4.16Å; L603-V607 PolarHBondContact O-N 2.86Å; L603-V607 VanDerWaalsContact O-N 3.1Å; V607-I610 PolarHBondContact O-N 2.86Å; V607-I611 HydrophobicContact CG1-CD1 3.78Å; V607-I611 HydrophobicContact CG1-CG1 4.36Å; V607-I611 WeakPolarHBondContact O-CB 3.38Å; V607-I611 WeakPolarHBondContact O-CG1 3.48Å; V607-I611 PolarHBondContact O-N 3.05Å
608A95.3Very high92.9Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-63.9-38.3172.700000113.2M604 A605 C606 S612 M641 E644 A645 I648M604-A608 VanDerWaalsContact O-CB 3.23Å; M604-A608 WeakPolarHBondContact O-CB 3.5Å; M604-A608 PolarHBondContact O-N 3.34Å; A605-A608 PolarHBondContact O-N 3.03Å; C606-A608 VanDerWaalsContact C-N 3.34Å; C606-A608 PolarHBondContact O-N 3.38Å; A608-S612 VanDerWaalsContact O-CB 3.23Å; A608-S612 WeakPolarHBondContact O-CB 3.31Å; A608-S612 PolarHBondContact O-N 3.34Å; A608-S612 PolarHBondContact O-OG 3.12Å; A608-M641 HydrophobicContact CB-CG 4.22Å; A608-E644 HydrophobicContact CB-CB 4.41Å; A608-E644 HydrophobicContact CB-CG 4.3Å; A608-A645 HydrophobicContact CB-CB 3.68Å; A608-I648 HydrophobicContact CB-CD1 3.96Å
609Y95Very high92.9Very high2 Ų227.7 Ų27.71%0.00814%0.144CC..Hα-helixtrans-61.6-47.6173.6176.8-86.2000111L573 F578 V581 A605 C606 S612 C613 F629 F630 N634 L636 M641L573-Y609 HydrophobicContact CD1-CD1 3.58Å; L573-Y609 HydrophobicContact CD1-CE1 4.07Å; L573-Y609 HydrophobicContact CD1-CG 4.26Å; L573-Y609 HydrophobicContact CD2-CD1 4.02Å; L573-Y609 HydrophobicContact CD2-CE1 3.78Å; L573-Y609 HydrophobicContact CG-CD1 4.47Å; F578-Y609 HydrophobicContact CD1-CD2 4.46Å; F578-Y609 HydrophobicContact CE1-CD2 4.26Å; F578-Y609 HydrophobicContact CE1-CG 4.14Å; V581-Y609 HydrophobicContact CB-CE2 4.44Å; V581-Y609 HydrophobicContact CG2-CE2 3.96Å; A605-Y609 WeakPolarHBondContact O-CB 3.45Å; A605-Y609 PolarHBondContact O-N 2.94Å; C606-Y609 WeakPolarHBondContact O-CB 3.31Å; C606-Y609 PolarHBondContact O-N 3.11Å; Y609-S612 PolarHBondContact O-N 2.88Å; Y609-C613 WeakPolarHBondContact O-CB 3.31Å; Y609-C613 PolarHBondContact O-N 3.27Å; Y609-C613 PolarHBondContact O-SG 3.43Å; Y609-F629 HydrophobicContact CE1-CE1 4.37Å; Y609-F630 HydrophobicContact CD1-CE1 4.47Å; Y609-F630 HydrophobicContact CE1-CD1 4.24Å; Y609-F630 HydrophobicContact CE1-CE1 4.05Å; Y609-N634 PolarHBondContact OH-ND2 2.65Å; Y609-L636 HydrophobicContact CD2-CD2 3.39Å; Y609-L636 HydrophobicContact CE2-CD2 3.62Å; Y609-L636 HydrophobicContact CG-CD2 4.33Å; Y609-M641 HydrophobicContact CD2-SD 3.84Å; Y609-M641 HydrophobicContact CG-SD 4.28Å
610I93.9Very high92.8Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-60.2-50178.5-65.5154000110.8L548 L555 Y569 V570 L573 C606 V607 S612 C613 R614 L617 F630L548-I610 HydrophobicContact CD1-CG2 4.09Å; L548-I610 HydrophobicContact CD2-CG2 4.09Å; L555-I610 HydrophobicContact CD2-CG2 3.82Å; Y569-I610 HydrophobicContact CD2-CD1 3.58Å; Y569-I610 HydrophobicContact CD2-CG1 4.31Å; Y569-I610 HydrophobicContact CE2-CD1 3.99Å; V570-I610 HydrophobicContact CG2-CD1 4.24Å; L573-I610 HydrophobicContact CD1-CG1 4.38Å; C606-I610 VanDerWaalsContact O-CD1 3.32Å; C606-I610 WeakPolarHBondContact O-CD1 3.47Å; C606-I610 VanDerWaalsContact O-CG1 3.32Å; C606-I610 WeakPolarHBondContact O-CG1 3.33Å; C606-I610 PolarHBondContact O-N 3.48Å; V607-I610 PolarHBondContact O-N 2.86Å; I610-S612 PolarHBondContact O-N 3.01Å; I610-C613 CarbonylContact O-C 3.53Å; I610-C613 WeakPolarHBondContact O-CA 3.28Å; I610-C613 PolarHBondContact O-N 3.44Å; I610-R614 PolarHBondContact O-N 3.49Å; I610-L617 HydrophobicContact CG2-CD1 4.04Å; I610-F630 HydrophobicContact CG1-CE1 4.39Å
611I93.5Very high92.6Very high26 Ų2632.5 Ų32.513%0.13318%0.177CC..Hα-helixtrans-65.2-37.5178.5-69.2173000111.6L548 H551 D552 V607 C613 R614 I648L548-I611 HydrophobicContact CD1-CD1 4.1Å; L548-I611 HydrophobicContact CD1-CG1 3.76Å; H551-I611 HydrophobicContact CB-CD1 3.75Å; D552-I611 HydrophobicContact CB-CD1 4.35Å; D552-I611 HydrophobicContact CB-CG1 4.21Å; V607-I611 HydrophobicContact CG1-CD1 3.78Å; V607-I611 HydrophobicContact CG1-CG1 4.36Å; V607-I611 WeakPolarHBondContact O-CB 3.38Å; V607-I611 WeakPolarHBondContact O-CG1 3.48Å; V607-I611 PolarHBondContact O-N 3.05Å; I611-C613 PolarHBondContact O-N 2.81Å; I611-R614 VanDerWaalsContact O-CB 3.25Å; I611-R614 WeakPolarHBondContact O-CB 3.06Å; I611-R614 PolarHBondContact O-N 3.39Å; I611-I648 HydrophobicContact CD1-CD1 3.95Å
612S92.9Very high92.4Very high46 Ų4638.3 Ų38.332%0.32220%0.204SC..Hα-helixtrans-68.2-15.9174.4-53.90000113A608 Y609 I610 L636A608-S612 VanDerWaalsContact O-CB 3.23Å; A608-S612 WeakPolarHBondContact O-CB 3.31Å; A608-S612 PolarHBondContact O-N 3.34Å; A608-S612 PolarHBondContact O-OG 3.12Å; Y609-S612 PolarHBondContact O-N 2.88Å; I610-S612 PolarHBondContact O-N 3.01Å; S612-L636 VanDerWaalsContact CB-CD1 3.43Å
613C91.2Very high92.2Very high6 Ų643.1 Ų43.14%0.04123%0.225CC..THydrogen-bonded Turntrans-103.612.7177-66.70000113.3Y609 I610 I611 E615 P616 L617 F629Y609-C613 WeakPolarHBondContact O-CB 3.31Å; Y609-C613 PolarHBondContact O-N 3.27Å; Y609-C613 PolarHBondContact O-SG 3.43Å; I610-C613 CarbonylContact O-C 3.53Å; I610-C613 WeakPolarHBondContact O-CA 3.28Å; I610-C613 PolarHBondContact O-N 3.44Å; I611-C613 PolarHBondContact O-N 2.81Å; C613-E615 PolarHBondContact O-N 2.77Å; C613-P616 VanDerWaalsContact O-CD 3.31Å; C613-P616 WeakPolarHBondContact O-CD 3.44Å; C613-L617 HydrophobicContact CB-CD1 3.87Å; C613-L617 HydrophobicContact CB-CG 4.28Å; C613-L617 WeakPolarHBondContact O-CG 3.33Å; C613-L617 PolarHBondContact O-N 3.06Å; C613-L617 VanDerWaalsContact O-N 3.12Å; C613-F629 HydrophobicContact CB-CE1 3.96Å; C613-F629 HydrophobicContact CB-CZ 3.65Å
614R92.7Very high92Very high73 Ų7350 Ų5028%0.27526%0.255SS..Hα-helixtrans-50.4-47.9-175-179.5-173.4-170.2-78.9-0.8114D552 E554 L555 I610 I611 L617 L618D552-R614 WeakPolarHBondContact OD2-CD 3.39Å; D552-R614 IonicContact OD2-NE 2.6Å; D552-R614 PolarHBondContact OD2-NE 2.93Å; E554-R614 IonicContact OE1-CZ 2.61Å; E554-R614 IonicContact OE1-NH2 3.65Å; E554-R614 PolarHBondContact OE1-NH2 3.17Å; E554-R614 IonicContact OE2-NH2 2.77Å; E554-R614 PolarHBondContact OE2-NH2 3.19Å; L555-R614 HydrophobicContact CD2-CB 4.21Å; L555-R614 HydrophobicContact CD2-CG 4.29Å; I610-R614 PolarHBondContact O-N 3.49Å; I611-R614 VanDerWaalsContact O-CB 3.25Å; I611-R614 WeakPolarHBondContact O-CB 3.06Å; I611-R614 PolarHBondContact O-N 3.39Å; R614-L617 PolarHBondContact O-N 3.34Å; R614-L618 HydrophobicContact CG-CD1 3.88Å; R614-L618 HydrophobicContact CG-CG 4.37Å; R614-L618 VanDerWaalsContact NH1-CD1 3.3Å; R614-L618 WeakPolarHBondContact O-CG 3.46Å; R614-L618 PolarHBondContact O-N 3Å
615E88.8Confident91.8Very high159 Ų15952.8 Ų52.874%0.74327%0.27SS*.Hα-helixtrans-61.2-53-176.3-76.3177.5-170.500112.8C613 L617C613-E615 PolarHBondContact O-N 2.77Å; E615-L617 PolarHBondContact O-N 3.48Å
616P90.1Very high91.7Very high62 Ų6252.9 Ų52.940%0.40327%0.27SS..Hα-helixtrans-55.6-42.9169.4-29.334.1000114.7C613 L618 L619 C620 F629C613-P616 VanDerWaalsContact O-CD 3.31Å; C613-P616 WeakPolarHBondContact O-CD 3.44Å; P616-L618 VanDerWaalsContact C-N 3.35Å; P616-L618 PolarHBondContact O-N 2.91Å; P616-L619 WeakPolarHBondContact O-CB 3.45Å; P616-L619 PolarHBondContact O-N 3.06Å; P616-L619 VanDerWaalsContact O-N 3.09Å; P616-C620 PolarHBondContact O-N 2.94Å; P616-F629 HydrophobicContact CB-CD2 4.47Å; P616-F629 HydrophobicContact CB-CE2 3.7Å; P616-F629 HydrophobicContact CB-CZ 4.31Å; P616-F629 HydrophobicContact CG-CE2 4.44Å
617L91.1Very high91.4Very high0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-69.1-30.1-173.8-72.4170.6000113.5L555 H558 I610 C613 R614 E615 L619 C620 F626 F629 F630L555-L617 HydrophobicContact CD1-CB 3.79Å; L555-L617 HydrophobicContact CD1-CD1 4.49Å; L555-L617 HydrophobicContact CD2-CD1 4.48Å; H558-L617 PolarHBondContact CD2-O 2.96Å; H558-L617 PolarHBondContact NE2-O 3.48Å; I610-L617 HydrophobicContact CG2-CD1 4.04Å; C613-L617 HydrophobicContact CB-CD1 3.87Å; C613-L617 HydrophobicContact CB-CG 4.28Å; C613-L617 WeakPolarHBondContact O-CG 3.33Å; C613-L617 PolarHBondContact O-N 3.06Å; C613-L617 VanDerWaalsContact O-N 3.12Å; R614-L617 PolarHBondContact O-N 3.34Å; E615-L617 PolarHBondContact O-N 3.48Å; L617-L619 VanDerWaalsContact C-N 3.27Å; L617-L619 PolarHBondContact O-N 3.32Å; L617-C620 PolarHBondContact O-N 3.1Å; L617-F626 HydrophobicContact CD2-CD1 3.94Å; L617-F626 HydrophobicContact CD2-CE1 4.14Å; L617-F629 HydrophobicContact CD1-CE1 4.44Å; L617-F629 HydrophobicContact CD2-CD1 3.66Å; L617-F629 HydrophobicContact CD2-CE1 3.83Å; L617-F629 HydrophobicContact CD2-CG 4.11Å; L617-F629 HydrophobicContact CD2-CZ 4.41Å; L617-F629 HydrophobicContact CG-CD1 4.44Å; L617-F629 HydrophobicContact CG-CE1 4.12Å; L617-F629 HydrophobicContact CG-CZ 4.38Å; L617-F630 HydrophobicContact CD1-CZ 4.19Å; L617-F630 HydrophobicContact CD2-CE2 3.88Å; L617-F630 HydrophobicContact CD2-CZ 3.71Å
618L92.1Very high91.2Very high45 Ų4563 Ų6324%0.23631%0.312CS..Hα-helixtrans-74.9-14.4173-68.1175.3000113.4L555 H558 R614 P616L555-L618 HydrophobicContact CD1-CD2 3.96Å; L555-L618 HydrophobicContact CD1-CG 4.17Å; H558-L618 HydrophobicContact CB-CD2 3.64Å; R614-L618 HydrophobicContact CG-CD1 3.88Å; R614-L618 HydrophobicContact CG-CG 4.37Å; R614-L618 VanDerWaalsContact NH1-CD1 3.3Å; R614-L618 WeakPolarHBondContact O-CG 3.46Å; R614-L618 PolarHBondContact O-N 3Å; P616-L618 VanDerWaalsContact C-N 3.35Å; P616-L618 PolarHBondContact O-N 2.91Å
619L90.3Very high91Very high144 Ų14463.7 Ų63.775%0.75432%0.315SS*.Hα-helixtrans-88.9-24.4173.8-63171.2000112.4P616 L617 S621P616-L619 WeakPolarHBondContact O-CB 3.45Å; P616-L619 PolarHBondContact O-N 3.06Å; P616-L619 VanDerWaalsContact O-N 3.09Å; L617-L619 VanDerWaalsContact C-N 3.27Å; L617-L619 PolarHBondContact O-N 3.32Å; L619-S621 PolarHBondContact O-N 2.97Å; L619-S621 PolarHBondContact O-OG 3.29Å
620C90.3Very high90.8Very high18 Ų1863.6 Ų63.612%0.12232%0.315CS..  trans-63.2130.7172.7-68.30000110.6H558 P616 L617 D625 F626H558-C620 PolarHBondContact NE2-O 2.61Å; P616-C620 PolarHBondContact O-N 2.94Å; L617-C620 PolarHBondContact O-N 3.1Å; C620-D625 HydrophobicContact CB-CB 3.85Å; C620-F626 HydrophobicContact CB-CD1 3.92Å; C620-F626 HydrophobicContact CB-CD2 4.12Å; C620-F626 HydrophobicContact CB-CE1 3.49Å; C620-F626 VanDerWaalsContact CB-CE1 3.49Å; C620-F626 HydrophobicContact CB-CE2 3.72Å; C620-F626 HydrophobicContact CB-CG 4.22Å; C620-F626 HydrophobicContact CB-CZ 3.39Å; C620-F626 WeakPolarHBondContact O-CZ 3.42Å
621S87.9Confident90.6Very high88 Ų8867.3 Ų67.362%0.61533%0.332SS*.  trans-126.2-19.3-173.3-59.20000113.5L619 D625L619-S621 PolarHBondContact O-N 2.97Å; L619-S621 PolarHBondContact O-OG 3.29Å; S621-D625 PolarHBondContact N-OD2 2.97Å
622Q89.4Confident90.4Very high128 Ų12869.7 Ų69.760%0.59834%0.342SS*.SBendtrans-117.5148.3177.5-54.6-172.725.100110.6K624 D625 F626Q622-K624 PolarHBondContact O-N 3.36Å; Q622-D625 PolarHBondContact N-OD2 2.92Å; Q622-D625 VanDerWaalsContact O-CB 3.28Å; Q622-D625 WeakPolarHBondContact O-CB 3.28Å; Q622-D625 PolarHBondContact O-N 3.11Å; Q622-F626 VanDerWaalsContact O-CD2 3.31Å; Q622-F626 WeakPolarHBondContact O-CD2 3.27Å
623K90.1Very high90.1Very high103 Ų10375.5 Ų75.545%0.44836%0.357SS..Hα-helixtrans-48.8-37.3176.1-171.7176-170.9-800113.8I564 L568 D625 F626 E627I564-K623 HydrophobicContact CD1-CB 4.02Å; I564-K623 HydrophobicContact CD1-CG 3.98Å; L568-K623 HydrophobicContact CD1-CG 4.38Å; K623-D625 VanDerWaalsContact C-N 3.31Å; K623-D625 PolarHBondContact O-N 2.88Å; K623-F626 PolarHBondContact O-N 3.43Å; K623-E627 IonicContact NZ-OE1 3.83Å; K623-E627 PolarHBondContact NZ-OE1 3.09Å; K623-E627 WeakPolarHBondContact O-CG 3.45Å; K623-E627 PolarHBondContact O-N 3.3Å
624K89Confident89.9Confident151 Ų15177.5 Ų77.566%0.65737%0.367SS*.Hα-helixtrans-66.3-28.9177.9-68.7-177.3178.4178.10113.7Q622 Y628Q622-K624 PolarHBondContact O-N 3.36Å; K624-Y628 VanDerWaalsContact O-CB 3.27Å; K624-Y628 WeakPolarHBondContact O-CB 3.44Å; K624-Y628 PolarHBondContact O-N 3.06Å
625D90.6Very high89.5Confident58 Ų5882.7 Ų82.731%0.3140%0.401SS..Hα-helixtrans-68.3-42.6178.8-48.6-23.4000109.4C620 S621 Q622 K623 Y628 F629C620-D625 HydrophobicContact CB-CB 3.85Å; S621-D625 PolarHBondContact N-OD2 2.97Å; Q622-D625 PolarHBondContact N-OD2 2.92Å; Q622-D625 VanDerWaalsContact O-CB 3.28Å; Q622-D625 WeakPolarHBondContact O-CB 3.28Å; Q622-D625 PolarHBondContact O-N 3.11Å; K623-D625 VanDerWaalsContact C-N 3.31Å; K623-D625 PolarHBondContact O-N 2.88Å; D625-Y628 PolarHBondContact O-N 3.23Å; D625-F629 VanDerWaalsContact O-CB 3.31Å; D625-F629 WeakPolarHBondContact O-CB 3.43Å; D625-F629 PolarHBondContact O-N 3.25Å
626F90.8Very high89.4Confident1 Ų176.3 Ų76.30%0.00437%0.372CS..Hα-helixtrans-67.7-46.1174.4-60.6-81000111.9H558 L559 C562 I564 L617 C620 Q622 K623 Y628 F629 F630H558-F626 AromaticContact NE2-CZ 4Å; L559-F626 HydrophobicContact CD2-CD1 3.91Å; L559-F626 HydrophobicContact CD2-CE1 3.57Å; L559-F626 HydrophobicContact CD2-CZ 4.18Å; C562-F626 HydrophobicContact CB-CE2 3.91Å; C562-F626 HydrophobicContact CB-CZ 4.26Å; I564-F626 HydrophobicContact CD1-CD2 3.58Å; I564-F626 HydrophobicContact CD1-CE2 4.03Å; I564-F626 HydrophobicContact CD1-CG 4.24Å; I564-F626 HydrophobicContact CG1-CD2 3.67Å; I564-F626 HydrophobicContact CG1-CE2 3.78Å; I564-F626 HydrophobicContact CG1-CG 4.14Å; I564-F626 HydrophobicContact CG1-CZ 4.32Å; L617-F626 HydrophobicContact CD2-CD1 3.94Å; L617-F626 HydrophobicContact CD2-CE1 4.14Å; C620-F626 HydrophobicContact CB-CD1 3.92Å; C620-F626 HydrophobicContact CB-CD2 4.12Å; C620-F626 HydrophobicContact CB-CE1 3.49Å; C620-F626 VanDerWaalsContact CB-CE1 3.49Å; C620-F626 HydrophobicContact CB-CE2 3.72Å; C620-F626 HydrophobicContact CB-CG 4.22Å; C620-F626 HydrophobicContact CB-CZ 3.39Å; C620-F626 WeakPolarHBondContact O-CZ 3.42Å; Q622-F626 VanDerWaalsContact O-CD2 3.31Å; Q622-F626 WeakPolarHBondContact O-CD2 3.27Å; K623-F626 PolarHBondContact O-N 3.43Å; F626-Y628 VanDerWaalsContact C-N 3.27Å; F626-Y628 PolarHBondContact O-N 3.5Å; F626-F629 PolarHBondContact O-N 3.42Å; F626-F629 VanDerWaalsContact O-N 3.11Å; F626-F630 VanDerWaalsContact O-CD2 3.23Å; F626-F630 WeakPolarHBondContact O-CD2 3.34Å; F626-F630 PolarHBondContact O-N 3.38Å
627E89.8Confident89.3Confident67 Ų6778.2 Ų78.231%0.31338%0.379SS..Hα-helixtrans-56.6-41.5174.1-71.8168.6171.100111.5L568 K623 H631L568-E627 HydrophobicContact CD2-CG 4.23Å; K623-E627 IonicContact NZ-OE1 3.83Å; K623-E627 PolarHBondContact NZ-OE1 3.09Å; K623-E627 WeakPolarHBondContact O-CG 3.45Å; K623-E627 PolarHBondContact O-N 3.3Å; E627-H631 PolarHBondContact O-CD2 3.49Å; E627-H631 VanDerWaalsContact O-CD2 3.23Å
628Y90.1Very high89.2Confident145 Ų14578.6 Ų78.657%0.56938%0.381SS*.Hα-helixtrans-64.1-49.1172.9-175-90.8000111.5K624 D625 F626 F630 H631 H632K624-Y628 VanDerWaalsContact O-CB 3.27Å; K624-Y628 WeakPolarHBondContact O-CB 3.44Å; K624-Y628 PolarHBondContact O-N 3.06Å; D625-Y628 PolarHBondContact O-N 3.23Å; F626-Y628 VanDerWaalsContact C-N 3.27Å; F626-Y628 PolarHBondContact O-N 3.5Å; Y628-F630 PolarHBondContact O-N 3.46Å; Y628-H631 PolarHBondContact O-N 3.35Å; Y628-H632 AromaticContact CD2-CE1 3.39Å; Y628-H632 WeakPolarHBondContact CD2-CE1 3.45Å; Y628-H632 AromaticContact CD2-ND1 3.57Å; Y628-H632 HydrophobicContact CE1-CB 4.18Å; Y628-H632 AromaticContact CE1-CG 3.82Å; Y628-H632 AromaticContact CE1-ND1 3.99Å; Y628-H632 AromaticContact CE2-CD2 3.76Å; Y628-H632 AromaticContact CE2-CE1 3.19Å; Y628-H632 WeakPolarHBondContact CE2-CE1 3.38Å; Y628-H632 AromaticContact CE2-CG 3.91Å; Y628-H632 AromaticContact CE2-ND1 3.56Å; Y628-H632 AromaticContact CE2-NE2 3.31Å; Y628-H632 VanDerWaalsContact CE2-NE2 3.31Å; Y628-H632 WeakPolarHBondContact CE2-NE2 3.39Å; Y628-H632 AromaticContact CG-ND1 3.78Å; Y628-H632 AromaticContact CZ-CD2 3.52Å; Y628-H632 AromaticContact CZ-CE1 3.75Å; Y628-H632 AromaticContact CZ-CG 3.64Å; Y628-H632 AromaticContact CZ-ND1 3.76Å; Y628-H632 AromaticContact CZ-NE2 3.6Å; Y628-H632 WeakPolarHBondContact O-CB 3.45Å; Y628-H632 PolarHBondContact O-N 3.03Å; Y628-H632 PolarHBondContact O-ND1 3.05Å; Y628-H632 PolarHBondContact OH-CD2 2.9Å
629F91.7Very high89.1Confident15 Ų1578 Ų787%0.06639%0.386CS..Hα-helixtrans-57.5-42.8-175.6-174.1-90.5000113.6Y609 C613 P616 L617 D625 F626 N634Y609-F629 HydrophobicContact CE1-CE1 4.37Å; C613-F629 HydrophobicContact CB-CE1 3.96Å; C613-F629 HydrophobicContact CB-CZ 3.65Å; P616-F629 HydrophobicContact CB-CD2 4.47Å; P616-F629 HydrophobicContact CB-CE2 3.7Å; P616-F629 HydrophobicContact CB-CZ 4.31Å; P616-F629 HydrophobicContact CG-CE2 4.44Å; L617-F629 HydrophobicContact CD1-CE1 4.44Å; L617-F629 HydrophobicContact CD2-CD1 3.66Å; L617-F629 HydrophobicContact CD2-CE1 3.83Å; L617-F629 HydrophobicContact CD2-CG 4.11Å; L617-F629 HydrophobicContact CD2-CZ 4.41Å; L617-F629 HydrophobicContact CG-CD1 4.44Å; L617-F629 HydrophobicContact CG-CE1 4.12Å; L617-F629 HydrophobicContact CG-CZ 4.38Å; D625-F629 VanDerWaalsContact O-CB 3.31Å; D625-F629 WeakPolarHBondContact O-CB 3.43Å; D625-F629 PolarHBondContact O-N 3.25Å; F626-F629 PolarHBondContact O-N 3.42Å; F626-F629 VanDerWaalsContact O-N 3.11Å; F629-N634 WeakPolarHBondContact CD2-OD1 3.35Å; F629-N634 HydrophobicContact CE2-CB 4.23Å; F629-N634 WeakPolarHBondContact CE2-OD1 3.26Å; F629-N634 HydrophobicContact CZ-CB 4.05Å; F629-N634 VanDerWaalsContact CZ-CG 3.43Å; F629-N634 WeakPolarHBondContact CZ-ND2 3.25Å; F629-N634 PolarHBondContact O-ND2 3.05Å
630F90.6Very high89.1Confident1 Ų173.1 Ų73.10%0.00437%0.366CS..Hα-helixtrans-82.6-13.8-176.6-69.3-70.8000114.6L568 Y569 P572 L573 V581 Y609 I610 L617 F626 Y628L568-F630 WeakPolarHBondContact O-CD2 3.46Å; Y569-F630 VanDerWaalsContact CB-CE2 3.44Å; Y569-F630 WeakPolarHBondContact O-CE1 3.41Å; P572-F630 HydrophobicContact CB-CB 4.16Å; P572-F630 HydrophobicContact CG-CB 4.27Å; L573-F630 HydrophobicContact CD1-CD1 4.33Å; L573-F630 HydrophobicContact CD1-CE1 4.33Å; L573-F630 HydrophobicContact CD2-CD1 4.22Å; L573-F630 HydrophobicContact CG-CD1 4.26Å; V581-F630 WeakPolarHBondContact CG1-O 3.22Å; Y609-F630 HydrophobicContact CD1-CE1 4.47Å; Y609-F630 HydrophobicContact CE1-CD1 4.24Å; Y609-F630 HydrophobicContact CE1-CE1 4.05Å; I610-F630 HydrophobicContact CG1-CE1 4.39Å; L617-F630 HydrophobicContact CD1-CZ 4.19Å; L617-F630 HydrophobicContact CD2-CE2 3.88Å; L617-F630 HydrophobicContact CD2-CZ 3.71Å; F626-F630 VanDerWaalsContact O-CD2 3.23Å; F626-F630 WeakPolarHBondContact O-CD2 3.34Å; F626-F630 PolarHBondContact O-N 3.38Å; Y628-F630 PolarHBondContact O-N 3.46Å
631H90.6Very high89.2Confident77 Ų7772.2 Ų72.236%0.35636%0.36SS..THydrogen-bonded Turntrans-1014.9171.3-68.2-60.8000113.8E580 E627 Y628E580-H631 WeakPolarHBondContact CG-O 3.27Å; E580-H631 IonicContact OE2-CE1 3.41Å; E580-H631 IonicContact OE2-CG 2.83Å; E580-H631 IonicContact OE2-ND1 3.16Å; E580-H631 PolarHBondContact OE2-ND1 3.02Å; E627-H631 PolarHBondContact O-CD2 3.49Å; E627-H631 VanDerWaalsContact O-CD2 3.23Å; Y628-H631 PolarHBondContact O-N 3.35Å
632H88.4Confident89.5Confident77 Ų7768.8 Ų68.836%0.35634%0.335SS..SBendtrans-121.9161.3178.6-71.476000112.4V581 Y628 N634V581-H632 WeakPolarHBondContact CG1-O 3.48Å; Y628-H632 AromaticContact CD2-CE1 3.39Å; Y628-H632 WeakPolarHBondContact CD2-CE1 3.45Å; Y628-H632 AromaticContact CD2-ND1 3.57Å; Y628-H632 HydrophobicContact CE1-CB 4.18Å; Y628-H632 AromaticContact CE1-CG 3.82Å; Y628-H632 AromaticContact CE1-ND1 3.99Å; Y628-H632 AromaticContact CE2-CD2 3.76Å; Y628-H632 AromaticContact CE2-CE1 3.19Å; Y628-H632 WeakPolarHBondContact CE2-CE1 3.38Å; Y628-H632 AromaticContact CE2-CG 3.91Å; Y628-H632 AromaticContact CE2-ND1 3.56Å; Y628-H632 AromaticContact CE2-NE2 3.31Å; Y628-H632 VanDerWaalsContact CE2-NE2 3.31Å; Y628-H632 WeakPolarHBondContact CE2-NE2 3.39Å; Y628-H632 AromaticContact CG-ND1 3.78Å; Y628-H632 AromaticContact CZ-CD2 3.52Å; Y628-H632 AromaticContact CZ-CE1 3.75Å; Y628-H632 AromaticContact CZ-CG 3.64Å; Y628-H632 AromaticContact CZ-ND1 3.76Å; Y628-H632 AromaticContact CZ-NE2 3.6Å; Y628-H632 WeakPolarHBondContact O-CB 3.45Å; Y628-H632 PolarHBondContact O-N 3.03Å; Y628-H632 PolarHBondContact O-ND1 3.05Å; Y628-H632 PolarHBondContact OH-CD2 2.9Å; H632-N634 PolarHBondContact O-ND2 3.38Å; H632-N634 VanDerWaalsContact O-ND2 3.17Å
633R87.6Confident89.6Confident168 Ų16869.9 Ų69.963%0.63434%0.337SS*.  trans-82.3124.4179.5-62.6-160.8-178130.89111.2E580 V581E580-R633 WeakPolarHBondContact O-CG 3.21Å; E580-R633 PolarHBondContact O-NE 2.6Å; V581-R633 WeakPolarHBondContact O-CG 3.48Å
634N87.2Confident89.7Confident47 Ų4766.9 Ų66.925%0.25133%0.325SS..  trans-104.2148.6-179.9-59.8-63.3000110.6Y609 F629 H632 L636Y609-N634 PolarHBondContact OH-ND2 2.65Å; F629-N634 WeakPolarHBondContact CD2-OD1 3.35Å; F629-N634 HydrophobicContact CE2-CB 4.23Å; F629-N634 WeakPolarHBondContact CE2-OD1 3.26Å; F629-N634 HydrophobicContact CZ-CB 4.05Å; F629-N634 VanDerWaalsContact CZ-CG 3.43Å; F629-N634 WeakPolarHBondContact CZ-ND2 3.25Å; F629-N634 PolarHBondContact O-ND2 3.05Å; H632-N634 PolarHBondContact O-ND2 3.38Å; H632-N634 VanDerWaalsContact O-ND2 3.17Å; N634-L636 PolarHBondContact O-N 2.82Å; N634-L636 VanDerWaalsContact O-N 3.12Å
635N82.8Confident89.9Confident183 Ų18359.7 Ų59.798%0.97929%0.293SS*.  trans-80.393.1-178.2-175.935.5000110.4
636L86.2Confident90Very high25 Ų2559.1 Ų59.113%0.13129%0.287CS..  trans-129.6129.1-170.7173.362.2000111.6Y609 S612 N634 V638 M641Y609-L636 HydrophobicContact CD2-CD2 3.39Å; Y609-L636 HydrophobicContact CE2-CD2 3.62Å; Y609-L636 HydrophobicContact CG-CD2 4.33Å; S612-L636 VanDerWaalsContact CB-CD1 3.43Å; N634-L636 PolarHBondContact O-N 2.82Å; N634-L636 VanDerWaalsContact O-N 3.12Å; L636-V638 HydrophobicContact CG-CG2 4.48Å; L636-V638 PolarHBondContact O-N 3.33Å; L636-M641 HydrophobicContact CD1-CB 4.43Å; L636-M641 HydrophobicContact CD2-CB 4.29Å; L636-M641 HydrophobicContact CD2-CG 4.23Å; L636-M641 HydrophobicContact CD2-SD 3.82Å
637D88.8Confident90.2Very high102 Ų10264.4 Ų64.455%0.54531%0.307SS..  trans-72.397.4164.5178.715.7000109.8G639 A640 M641D637-G639 PolarHBondContact O-N 2.82Å; D637-G639 VanDerWaalsContact OD1-CA 3.28Å; D637-G639 WeakPolarHBondContact OD1-CA 3.31Å; D637-G639 PolarHBondContact OD1-N 3.07Å; D637-A640 HydrophobicContact CB-CB 3.98Å; D637-A640 VanDerWaalsContact CG-N 3.32Å; D637-A640 WeakPolarHBondContact O-CA 3.49Å; D637-A640 WeakPolarHBondContact O-CB 3.33Å; D637-A640 PolarHBondContact O-N 3.39Å; D637-A640 PolarHBondContact OD1-N 3.17Å; D637-A640 WeakPolarHBondContact OD2-CB 3.48Å; D637-A640 PolarHBondContact OD2-N 3.15Å; D637-M641 PolarHBondContact O-N 3.09Å
638V89.6Confident90.3Very high7 Ų761.2 Ų61.24%0.04229%0.292CS..Hα-helixtrans-61.1-23.3175.2176.50000111.9L582 E586 L636 M641 I642L582-V638 HydrophobicContact CD2-CG2 3.77Å; E586-V638 HydrophobicContact CB-CB 4.4Å; E586-V638 HydrophobicContact CB-CG1 4.43Å; E586-V638 HydrophobicContact CB-CG2 3.98Å; E586-V638 HydrophobicContact CG-CB 4.16Å; E586-V638 HydrophobicContact CG-CG2 3.79Å; L636-V638 HydrophobicContact CG-CG2 4.48Å; L636-V638 PolarHBondContact O-N 3.33Å; V638-M641 HydrophobicContact CG1-CE 4.17Å; V638-I642 HydrophobicContact CG1-CD1 3.84Å; V638-I642 HydrophobicContact CG1-CG1 4.29Å; V638-I642 WeakPolarHBondContact O-CB 3.23Å; V638-I642 WeakPolarHBondContact O-CD1 3.22Å; V638-I642 VanDerWaalsContact O-CG1 3.23Å; V638-I642 WeakPolarHBondContact O-CG1 3.14Å; V638-I642 PolarHBondContact O-N 2.82Å
639G88.8Confident90.3Very high33 Ų3356.2 Ų56.234%0.3428%0.277SS..Hα-helixtrans-70.3-32.2170.500000113.6D637 K643D637-G639 PolarHBondContact O-N 2.82Å; D637-G639 VanDerWaalsContact OD1-CA 3.28Å; D637-G639 WeakPolarHBondContact OD1-CA 3.31Å; D637-G639 PolarHBondContact OD1-N 3.07Å; G639-K643 WeakPolarHBondContact O-CD 3.5Å; G639-K643 WeakPolarHBondContact O-CE 3.44Å; G639-K643 VanDerWaalsContact O-CG 3.27Å; G639-K643 WeakPolarHBondContact O-CG 3.32Å; G639-K643 PolarHBondContact O-N 3.24Å
640A90.4Very high90.2Very high41 Ų4159 Ų5934%0.33931%0.309SS..Hα-helixtrans-73.1-47168.400000110.8D637 I642 K643 E644D637-A640 HydrophobicContact CB-CB 3.98Å; D637-A640 VanDerWaalsContact CG-N 3.32Å; D637-A640 WeakPolarHBondContact O-CA 3.49Å; D637-A640 WeakPolarHBondContact O-CB 3.33Å; D637-A640 PolarHBondContact O-N 3.39Å; D637-A640 PolarHBondContact OD1-N 3.17Å; D637-A640 WeakPolarHBondContact OD2-CB 3.48Å; D637-A640 PolarHBondContact OD2-N 3.15Å; A640-I642 VanDerWaalsContact C-N 3.31Å; A640-I642 PolarHBondContact O-N 3.4Å; A640-K643 WeakPolarHBondContact O-CB 3.36Å; A640-K643 PolarHBondContact O-N 3.02Å; A640-E644 PolarHBondContact O-N 2.83Å
641M94Very high90.2Very high0 Ų061.3 Ų61.30%033%0.326CS..Hα-helixtrans-55.9-40.6177.6-169.7-156.27800112.9L590 A608 Y609 L636 D637 V638 E644 A645L590-M641 HydrophobicContact CD1-CE 3.99Å; L590-M641 HydrophobicContact CD2-CE 4.5Å; A608-M641 HydrophobicContact CB-CG 4.22Å; Y609-M641 HydrophobicContact CD2-SD 3.84Å; Y609-M641 HydrophobicContact CG-SD 4.28Å; L636-M641 HydrophobicContact CD1-CB 4.43Å; L636-M641 HydrophobicContact CD2-CB 4.29Å; L636-M641 HydrophobicContact CD2-CG 4.23Å; L636-M641 HydrophobicContact CD2-SD 3.82Å; D637-M641 PolarHBondContact O-N 3.09Å; V638-M641 HydrophobicContact CG1-CE 4.17Å; M641-E644 PolarHBondContact O-N 2.86Å; M641-A645 WeakPolarHBondContact O-CB 3.28Å; M641-A645 PolarHBondContact O-N 2.7Å
642I92.6Very high90.2Very high16 Ų1658.2 Ų58.28%0.08231%0.312CS..Hα-helixtrans-69.8-36.7177.4-71.4166000111.7R589 V638 A640 E644 A645 Y646R589-I642 HydrophobicContact CB-CD1 4.36Å; V638-I642 HydrophobicContact CG1-CD1 3.84Å; V638-I642 HydrophobicContact CG1-CG1 4.29Å; V638-I642 WeakPolarHBondContact O-CB 3.23Å; V638-I642 WeakPolarHBondContact O-CD1 3.22Å; V638-I642 VanDerWaalsContact O-CG1 3.23Å; V638-I642 WeakPolarHBondContact O-CG1 3.14Å; V638-I642 PolarHBondContact O-N 2.82Å; A640-I642 VanDerWaalsContact C-N 3.31Å; A640-I642 PolarHBondContact O-N 3.4Å; I642-E644 VanDerWaalsContact C-N 3.3Å; I642-A645 PolarHBondContact O-N 3.47Å; I642-Y646 HydrophobicContact CG2-CD2 4.16Å; I642-Y646 HydrophobicContact CG2-CE2 4.23Å; I642-Y646 WeakPolarHBondContact O-CD2 3.45Å; I642-Y646 PolarHBondContact O-N 3.4Å; I642-Y646 VanDerWaalsContact O-N 3.07Å
643K91.7Very high90.2Very high150 Ų15057.1 Ų57.165%0.65231%0.312SS*.Hα-helixtrans-63.6-40.2171.8-67.6163-168.8163.10110.7G639 A640 Y646 R647G639-K643 WeakPolarHBondContact O-CD 3.5Å; G639-K643 WeakPolarHBondContact O-CE 3.44Å; G639-K643 VanDerWaalsContact O-CG 3.27Å; G639-K643 WeakPolarHBondContact O-CG 3.32Å; G639-K643 PolarHBondContact O-N 3.24Å; A640-K643 WeakPolarHBondContact O-CB 3.36Å; A640-K643 PolarHBondContact O-N 3.02Å; K643-Y646 CarbonylContact O-C 3.56Å; K643-Y646 WeakPolarHBondContact O-CB 3.37Å; K643-Y646 PolarHBondContact O-N 3.41Å; K643-R647 PolarHBondContact O-N 2.92Å
644E92.9Very high90Very high40 Ų4052.6 Ų52.619%0.18731%0.311CS..Hα-helixtrans-68.7-40178.7-175.955.1-160.600112A608 A640 M641 I642 Y646 R647 I648A608-E644 HydrophobicContact CB-CB 4.41Å; A608-E644 HydrophobicContact CB-CG 4.3Å; A640-E644 PolarHBondContact O-N 2.83Å; M641-E644 PolarHBondContact O-N 2.86Å; I642-E644 VanDerWaalsContact C-N 3.3Å; E644-Y646 VanDerWaalsContact C-N 3.28Å; E644-Y646 PolarHBondContact O-N 2.88Å; E644-R647 WeakPolarHBondContact O-CB 3.25Å; E644-R647 PolarHBondContact O-N 2.88Å; E644-R647 VanDerWaalsContact O-N 3.07Å; E644-R647 IonicContact OE1-CZ 3.56Å; E644-R647 IonicContact OE1-NE 2.87Å; E644-R647 PolarHBondContact OE1-NE 3.44Å; E644-R647 IonicContact OE1-NH2 3.85Å; E644-R647 PolarHBondContact OE1-NH2 2.85Å; E644-R647 WeakPolarHBondContact OE2-CD 3.48Å; E644-R647 IonicContact OE2-CZ 3.88Å; E644-R647 IonicContact OE2-NE 3.34Å; E644-R647 PolarHBondContact OE2-NE 2.87Å; E644-I648 HydrophobicContact CG-CD1 3.96Å; E644-I648 WeakPolarHBondContact O-CB 3.28Å; E644-I648 WeakPolarHBondContact O-CG1 3.26Å; E644-I648 PolarHBondContact O-N 2.82Å
645A93.8Very high89.9Confident0 Ų055 Ų550%034%0.337CS..Hα-helixtrans-58.8-39.4169.800000112F601 A608 M641 I642 T649F601-A645 HydrophobicContact CE2-CB 4.15Å; F601-A645 HydrophobicContact CZ-CB 3.96Å; A608-A645 HydrophobicContact CB-CB 3.68Å; M641-A645 WeakPolarHBondContact O-CB 3.28Å; M641-A645 PolarHBondContact O-N 2.7Å; I642-A645 PolarHBondContact O-N 3.47Å; A645-T649 VanDerWaalsContact O-CB 3.32Å; A645-T649 WeakPolarHBondContact O-CB 3.42Å; A645-T649 PolarHBondContact O-N 2.77Å; A645-T649 PolarHBondContact O-OG1 2.92Å
646Y92.4Very high90.1Very high46 Ų4649 Ų4918%0.1830%0.304CS..Hα-helixtrans-68.6-36.3172.1-87.8-58.7000113.3K419 N593 N597 F601 I642 K643 E644 G650K419-Y646 HydrophobicContact CG-CE2 4.48Å; N593-Y646 WeakPolarHBondContact OD1-CE2 3.48Å; N597-Y646 PolarHBondContact ND2-OH 3.27Å; N597-Y646 WeakPolarHBondContact OD1-CE1 3.17Å; N597-Y646 PolarHBondContact OD1-OH 2.81Å; F601-Y646 AromaticContact CE2-CD1 3.97Å; F601-Y646 HydrophobicContact CE2-CD1 3.97Å; F601-Y646 HydrophobicContact CE2-CD2 4.39Å; F601-Y646 AromaticContact CE2-CE1 3.92Å; F601-Y646 HydrophobicContact CE2-CE1 3.92Å; F601-Y646 HydrophobicContact CE2-CE2 4.37Å; F601-Y646 HydrophobicContact CE2-CG 4.21Å; F601-Y646 HydrophobicContact CZ-CD2 4.42Å; F601-Y646 HydrophobicContact CZ-CE2 4.27Å; I642-Y646 HydrophobicContact CG2-CD2 4.16Å; I642-Y646 HydrophobicContact CG2-CE2 4.23Å; I642-Y646 WeakPolarHBondContact O-CD2 3.45Å; I642-Y646 PolarHBondContact O-N 3.4Å; I642-Y646 VanDerWaalsContact O-N 3.07Å; K643-Y646 CarbonylContact O-C 3.56Å; K643-Y646 WeakPolarHBondContact O-CB 3.37Å; K643-Y646 PolarHBondContact O-N 3.41Å; E644-Y646 VanDerWaalsContact C-N 3.28Å; E644-Y646 PolarHBondContact O-N 2.88Å; Y646-G650 PolarHBondContact O-N 3.21Å; Y646-G650 VanDerWaalsContact O-N 3.11Å
647R93.9Very high90.1Very high113 Ų11348.9 Ų48.943%0.42630%0.303SS..Hα-helixtrans-60.8-56.4173.2-170.8-164.570.378.43.7110.1K643 E644 T649 G650 S651K643-R647 PolarHBondContact O-N 2.92Å; E644-R647 WeakPolarHBondContact O-CB 3.25Å; E644-R647 PolarHBondContact O-N 2.88Å; E644-R647 VanDerWaalsContact O-N 3.07Å; E644-R647 IonicContact OE1-CZ 3.56Å; E644-R647 IonicContact OE1-NE 2.87Å; E644-R647 PolarHBondContact OE1-NE 3.44Å; E644-R647 IonicContact OE1-NH2 3.85Å; E644-R647 PolarHBondContact OE1-NH2 2.85Å; E644-R647 WeakPolarHBondContact OE2-CD 3.48Å; E644-R647 IonicContact OE2-CZ 3.88Å; E644-R647 IonicContact OE2-NE 3.34Å; E644-R647 PolarHBondContact OE2-NE 2.87Å; R647-T649 VanDerWaalsContact C-N 3.3Å; R647-T649 PolarHBondContact O-N 2.77Å; R647-G650 CarbonylContact O-C 3.52Å; R647-G650 WeakPolarHBondContact O-CA 3.22Å; R647-G650 PolarHBondContact O-N 3.24Å; R647-S651 PolarHBondContact O-N 2.77Å; R647-S651 PolarHBondContact O-OG 2.84Å
648I92.8Very high90.1Very high0 Ų044 Ų440%028%0.277CS..Hα-helixtrans-55.3-43.7178.1-69.6165.9000111.1I547 M604 A608 I611 E644 G650 S651 T652I547-I648 HydrophobicContact CG2-CG2 3.86Å; M604-I648 HydrophobicContact SD-CG2 3.7Å; A608-I648 HydrophobicContact CB-CD1 3.96Å; I611-I648 HydrophobicContact CD1-CD1 3.95Å; E644-I648 HydrophobicContact CG-CD1 3.96Å; E644-I648 WeakPolarHBondContact O-CB 3.28Å; E644-I648 WeakPolarHBondContact O-CG1 3.26Å; E644-I648 PolarHBondContact O-N 2.82Å; I648-G650 VanDerWaalsContact C-N 3.27Å; I648-G650 PolarHBondContact O-N 3.29Å; I648-S651 PolarHBondContact O-N 2.84Å; I648-T652 WeakPolarHBondContact O-CB 3.49Å; I648-T652 PolarHBondContact O-N 2.87Å; I648-T652 PolarHBondContact O-OG1 2.88Å
649T90.6Very high89.8Confident40 Ų4049.4 Ų49.425%0.24530%0.297CS..Hα-helixtrans-60.7-36.3175.5-57.20000112.2M604 A645 R647M604-T649 WeakPolarHBondContact CG-OG1 3.25Å; A645-T649 VanDerWaalsContact O-CB 3.32Å; A645-T649 WeakPolarHBondContact O-CB 3.42Å; A645-T649 PolarHBondContact O-N 2.77Å; A645-T649 PolarHBondContact O-OG1 2.92Å; R647-T649 VanDerWaalsContact C-N 3.3Å; R647-T649 PolarHBondContact O-N 2.77Å
650G88.4Confident89.5Confident72 Ų7252.3 Ų52.374%0.74231%0.308SS*.Hα-helixtrans-82.5-22.8179.200000115.2Y646 R647 I648Y646-G650 PolarHBondContact O-N 3.21Å; Y646-G650 VanDerWaalsContact O-N 3.11Å; R647-G650 CarbonylContact O-C 3.52Å; R647-G650 WeakPolarHBondContact O-CA 3.22Å; R647-G650 PolarHBondContact O-N 3.24Å; I648-G650 VanDerWaalsContact C-N 3.27Å; I648-G650 PolarHBondContact O-N 3.29Å
651S90.1Very high89.1Confident51 Ų5155.3 Ų55.336%0.35732%0.318SS..Hα-helixtrans-105.1-11.8-176.954.90000115H551 R647 I648 P653H551-S651 PolarHBondContact CE1-OG 2.91Å; R647-S651 PolarHBondContact O-N 2.77Å; R647-S651 PolarHBondContact O-OG 2.84Å; I648-S651 PolarHBondContact O-N 2.84Å; S651-P653 WeakPolarHBondContact O-CD 3.47Å
652T90.8Very high88.7Confident11 Ų1155.9 Ų55.97%0.06732%0.321CS..SBendtrans-72.6125.1178.2-56.70000111.5H551 M604 I648 I656 H657H551-T652 PolarHBondContact NE2-OG1 2.85Å; M604-T652 HydrophobicContact CE-CG2 4.34Å; I648-T652 WeakPolarHBondContact O-CB 3.49Å; I648-T652 PolarHBondContact O-N 2.87Å; I648-T652 PolarHBondContact O-OG1 2.88Å; T652-I656 HydrophobicContact CG2-CB 4.12Å; T652-I656 HydrophobicContact CG2-CG2 4.1Å; T652-H657 HydrophobicContact CG2-CB 3.99Å
653P88.6Confident88.5Confident55 Ų5558.8 Ų58.836%0.35734%0.343SS..  trans-60.5146.3176.5-24.234.3000113.3H550 S651 A655 I656 H657H550-P653 WeakPolarHBondContact NE2-CD 3.28Å; S651-P653 WeakPolarHBondContact O-CD 3.47Å; P653-A655 PolarHBondContact O-N 3.03Å; P653-I656 PolarHBondContact O-N 3.34Å; P653-H657 PolarHBondContact O-N 2.87Å
654A84.4Confident88.2Confident73 Ų7356.8 Ų56.860%0.60334%0.339SS*.THydrogen-bonded Turntrans-57.1-27.4-176.500000114.6I656 T660A654-I656 VanDerWaalsContact C-N 3.31Å; A654-I656 PolarHBondContact O-N 2.84Å; A654-T660 VanDerWaalsContact O-CG2 3.25Å; A654-T660 WeakPolarHBondContact O-CG2 3.17Å; A654-T660 PolarHBondContact O-OG1 2.9Å
655A84.3Confident88Confident98 Ų9857.1 Ų57.181%0.8134%0.34SS*.THydrogen-bonded Turntrans-70.9-22.2176.400000114.1P653P653-A655 PolarHBondContact O-N 3.03Å
656I86.3Confident87.7Confident55 Ų5560.8 Ų60.828%0.28236%0.362SS..THydrogen-bonded Turntrans-108.7-26.6-179.4-60.2172.3000110.9N546 I547 H550 T652 P653 A654 P658N546-I656 HydrophobicContact CB-CG2 4.11Å; I547-I656 HydrophobicContact CG1-CG2 4.02Å; H550-I656 HydrophobicContact CB-CD1 4.41Å; T652-I656 HydrophobicContact CG2-CB 4.12Å; T652-I656 HydrophobicContact CG2-CG2 4.1Å; P653-I656 PolarHBondContact O-N 3.34Å; A654-I656 VanDerWaalsContact C-N 3.31Å; A654-I656 PolarHBondContact O-N 2.84Å; I656-P658 WeakPolarHBondContact O-CD 3.24Å
657H88Confident87.5Confident23 Ų2362 Ų6211%0.10638%0.376CS..SBendtrans-63.5123.2-177.9-172.1-31.4000111.2M604 T652 P653 R659 T660M604-H657 HydrophobicContact CE-CB 4.46Å; T652-H657 HydrophobicContact CG2-CB 3.99Å; P653-H657 PolarHBondContact O-N 2.87Å; H657-R659 PolarHBondContact ND1-N 2.74Å; H657-R659 PolarHBondContact O-N 3.29Å; H657-T660 PolarHBondContact O-N 3.18Å; H657-T660 PolarHBondContact O-OG1 3.49Å; H657-T660 VanDerWaalsContact O-OG1 3.07Å
658P86.8Confident87.3Confident0 Ų057.1 Ų57.10%036%0.358CS..THydrogen-bonded Turntrans-66.415.3-177-23.734.5000116.9M543 I547 L603 I656 L662M543-P658 HydrophobicContact CB-CG 4.2Å; M543-P658 HydrophobicContact SD-CB 3.9Å; M543-P658 HydrophobicContact SD-CG 4.32Å; I547-P658 HydrophobicContact CD1-CG 3.61Å; L603-P658 HydrophobicContact CD1-CB 4.17Å; L603-P658 HydrophobicContact CD1-CG 4.16Å; I656-P658 WeakPolarHBondContact O-CD 3.24Å; P658-L662 HydrophobicContact CB-CD1 4.02Å; P658-L662 HydrophobicContact CB-CG 4.3Å; P658-L662 VanDerWaalsContact O-CB 3.23Å; P658-L662 WeakPolarHBondContact O-CB 3.18Å; P658-L662 VanDerWaalsContact O-CG 3.27Å; P658-L662 WeakPolarHBondContact O-CG 3.38Å; P658-L662 PolarHBondContact O-N 2.8Å; P658-L662 VanDerWaalsContact O-N 3.09Å
659R84.4Confident87.1Confident121 Ų12160.6 Ų60.646%0.45738%0.379SS..THydrogen-bonded Turntrans-80.4-22.4170.6177.6-175.8-72.5-82.310.8111.6H598 H657 L661 D664H598-R659 PolarHBondContact CD2-NH1 2.86Å; H657-R659 PolarHBondContact ND1-N 2.74Å; H657-R659 PolarHBondContact O-N 3.29Å; R659-L661 VanDerWaalsContact C-N 3.31Å; R659-D664 IonicContact NH1-OD1 3.67Å; R659-D664 PolarHBondContact NH1-OD1 2.96Å
660T81.9Confident86.8Confident93 Ų9363.5 Ų63.557%0.57140%0.402SS*.THydrogen-bonded Turntrans-79.3-15.5175.247.60000113.3A654 H657A654-T660 VanDerWaalsContact O-CG2 3.25Å; A654-T660 WeakPolarHBondContact O-CG2 3.17Å; A654-T660 PolarHBondContact O-OG1 2.9Å; H657-T660 PolarHBondContact O-N 3.18Å; H657-T660 PolarHBondContact O-OG1 3.49Å; H657-T660 VanDerWaalsContact O-OG1 3.07Å
661L82Confident86.5Confident104 Ų10462.3 Ų62.355%0.54539%0.389SS..THydrogen-bonded Turntrans-115.9-28.2-176.9-60176.7000113.5M543 R659M543-L661 HydrophobicContact CE-CB 3.95Å; M543-L661 HydrophobicContact CE-CD1 3.82Å; M543-L661 HydrophobicContact CG-CD1 4.12Å; M543-L661 HydrophobicContact SD-CB 4.17Å; M543-L661 HydrophobicContact SD-CD1 3.98Å; R659-L661 VanDerWaalsContact C-N 3.31Å
662L86.8Confident86.3Confident13 Ų1367.1 Ų67.17%0.06841%0.406CS..SBendtrans-100.4136.7175-54.2176000110.4Q527 I540 L603 P658Q527-L662 HydrophobicContact CB-CD2 4.06Å; I540-L662 HydrophobicContact CD1-CD2 3.9Å; L603-L662 HydrophobicContact CD1-CD1 4.05Å; P658-L662 HydrophobicContact CB-CD1 4.02Å; P658-L662 HydrophobicContact CB-CG 4.3Å; P658-L662 VanDerWaalsContact O-CB 3.23Å; P658-L662 WeakPolarHBondContact O-CB 3.18Å; P658-L662 VanDerWaalsContact O-CG 3.27Å; P658-L662 WeakPolarHBondContact O-CG 3.38Å; P658-L662 PolarHBondContact O-N 2.8Å; P658-L662 VanDerWaalsContact O-N 3.09Å
663S86.9Confident86.3Confident77 Ų7767.7 Ų67.754%0.53841%0.407SS..PPolyproline II helixtrans-67.9149.5177.5-52.50000112.1Q527Q527-S663 PolarHBondContact NE2-O 2.94Å; Q527-S663 VanDerWaalsContact OE1-CB 3.24Å; Q527-S663 PolarHBondContact OE1-OG 2.88Å
664D86.2Confident86.3Confident107 Ų10767 Ų6757%0.57240%0.403SS*.PPolyproline II helixtrans-58.6159.2168.3-90.3-66.9000111.9H598 R659 T666H598-D664 IonicContact CD2-OD1 3.92Å; H598-D664 PolarHBondContact CD2-OD1 2.96Å; H598-D664 IonicContact NE2-OD1 2.67Å; H598-D664 PolarHBondContact NE2-OD1 3.25Å; R659-D664 IonicContact NH1-OD1 3.67Å; R659-D664 PolarHBondContact NH1-OD1 2.96Å; D664-T666 PolarHBondContact O-N 3.09Å
665F89.1Confident86.4Confident47 Ų4770.8 Ų70.821%0.20641%0.411CS..PPolyproline II helixtrans-62.1126.8-174.1173.9-92.4000113L437 T520 N524 W525 P667L437-F665 HydrophobicContact CD2-CE2 4.13Å; L437-F665 HydrophobicContact CD2-CZ 4.45Å; T520-F665 HydrophobicContact CG2-CE2 3.79Å; T520-F665 HydrophobicContact CG2-CZ 4.05Å; N524-F665 HydrophobicContact CB-CD2 4.04Å; N524-F665 HydrophobicContact CB-CE2 4.39Å; N524-F665 WeakPolarHBondContact OD1-CA 3.44Å; N524-F665 WeakPolarHBondContact OD1-CD2 3.33Å; W525-F665 AromaticContact CH2-CD2 3.7Å; W525-F665 HydrophobicContact CH2-CD2 3.7Å; W525-F665 AromaticContact CH2-CE2 3.75Å; W525-F665 HydrophobicContact CH2-CE2 3.75Å; W525-F665 AromaticContact CZ3-CD2 3.93Å; W525-F665 HydrophobicContact CZ3-CD2 3.93Å; W525-F665 AromaticContact CZ3-CE2 3.78Å; W525-F665 HydrophobicContact CZ3-CE2 3.78Å; F665-P667 HydrophobicContact CE1-CB 4.29Å
666T87.4Confident86.5Confident77 Ų7766.6 Ų66.647%0.47238%0.375SS..  trans-116.8127.4174.752.90000111.1N524 D664N524-T666 PolarHBondContact ND2-O 2.65Å; N524-T666 PolarHBondContact OD1-N 3.39Å; N524-T666 PolarHBondContact OD1-O 2.85Å; N524-T666 PolarHBondContact OD1-OG1 2.94Å; D664-T666 PolarHBondContact O-N 3.09Å
667P88.8Confident86.4Confident73 Ų7368.3 Ų68.347%0.47438%0.384SS..PPolyproline II helixtrans-75154.7176.532.6-35.7000111.4C438 F665C438-P667 HydrophobicContact CB-CB 3.88Å; F665-P667 HydrophobicContact CE1-CB 4.29Å
668L89.6Confident86Confident10 Ų1072.1 Ų72.15%0.05240%0.402CS..PPolyproline II helixtrans-64141.2172.5-65.3178.4000110.9P440 E516 A519 T520 V523 Y673 P674P440-L668 HydrophobicContact CG-CB 3.95Å; E516-L668 HydrophobicContact CB-CD1 4.44Å; A519-L668 HydrophobicContact CB-CD1 4.04Å; T520-L668 VanDerWaalsContact OG1-CD1 3.25Å; T520-L668 WeakPolarHBondContact OG1-CD1 3.35Å; T520-L668 WeakPolarHBondContact OG1-CG 3.34Å; V523-L668 HydrophobicContact CG2-CD2 4.22Å; L668-Y673 HydrophobicContact CD1-CD1 4.41Å; L668-Y673 HydrophobicContact CD1-CE1 4.49Å; L668-P674 HydrophobicContact CD2-CG 4.11Å
669T88Confident86Confident72 Ų7273.8 Ų73.844%0.44241%0.409SS..PPolyproline II helixtrans-62142.4177.741.50000112N442 Q672 P674N442-T669 PolarHBondContact ND2-O 3.07Å; T669-Q672 CarbonylContact C-O 3.45Å; T669-Q672 WeakPolarHBondContact CB-O 3.33Å; T669-Q672 PolarHBondContact OG1-O 3.11Å; T669-P674 WeakPolarHBondContact OG1-CD 3.48Å
670S83.1Confident86.1Confident102 Ų10269.9 Ų69.971%0.71340%0.399SS*.SBendtrans-83.4145.4175.9-170.80000111.5N442 Q672N442-S670 WeakPolarHBondContact OD1-CA 3.3Å; S670-Q672 VanDerWaalsContact C-N 3.26Å; S670-Q672 PolarHBondContact O-N 3.29Å
671G82.1Confident86.2Confident46 Ų4670 Ų7047%0.47439%0.393SS..SBendtrans85.9-43.6-178.300000114.1N442N442-G671 PolarHBondContact OD1-N 3.45Å
672Q87Confident86.3Confident152 Ų15273.3 Ų73.371%0.7140%0.403SS*.SBendtrans-139.7148.6177.3-65.9-176.4-5.300110.6T669 S670T669-Q672 CarbonylContact C-O 3.45Å; T669-Q672 WeakPolarHBondContact CB-O 3.33Å; T669-Q672 PolarHBondContact OG1-O 3.11Å; S670-Q672 VanDerWaalsContact C-N 3.26Å; S670-Q672 PolarHBondContact O-N 3.29Å
673Y90.8Very high86.1Confident23 Ų2375.7 Ų75.79%0.0942%0.416CS..PPolyproline II helixtrans-78.5145.8173-59.6-59.9000110.9N442 A445 L449 F515 E516 L668N442-Y673 HydrophobicContact CB-CE1 3.75Å; N442-Y673 HydrophobicContact CB-CE2 4.32Å; N442-Y673 WeakPolarHBondContact ND2-CE1 3.41Å; A445-Y673 HydrophobicContact CB-CD2 3.79Å; A445-Y673 HydrophobicContact CB-CE2 3.7Å; L449-Y673 HydrophobicContact CD1-CD2 3.9Å; L449-Y673 HydrophobicContact CD1-CE2 4.01Å; F515-Y673 HydrophobicContact CD1-CE1 4.5Å; F515-Y673 HydrophobicContact CD1-CE2 4.26Å; F515-Y673 AromaticContact CD1-CZ 3.96Å; F515-Y673 HydrophobicContact CE1-CD1 4.33Å; F515-Y673 AromaticContact CE1-CD2 3.91Å; F515-Y673 HydrophobicContact CE1-CD2 3.91Å; F515-Y673 AromaticContact CE1-CE1 3.97Å; F515-Y673 HydrophobicContact CE1-CE1 3.97Å; F515-Y673 AromaticContact CE1-CE2 3.51Å; F515-Y673 HydrophobicContact CE1-CE2 3.51Å; F515-Y673 HydrophobicContact CE1-CG 4.3Å; F515-Y673 AromaticContact CE1-CZ 3.53Å; F515-Y673 HydrophobicContact CZ-CD2 4.37Å; F515-Y673 HydrophobicContact CZ-CE2 4.28Å; E516-Y673 HydrophobicContact CG-CE1 3.96Å; E516-Y673 WeakPolarHBondContact CG-OH 3.42Å; E516-Y673 PolarHBondContact OE1-OH 3.44Å; L668-Y673 HydrophobicContact CD1-CD1 4.41Å; L668-Y673 HydrophobicContact CD1-CE1 4.49Å
674P88.4Confident85.9Confident42 Ų4272.1 Ų72.127%0.27339%0.391SS..PPolyproline II helixtrans-68.2151.1-179.730-34.3000110.6W486 L668 T669W486-P674 HydrophobicContact CZ2-CG 4.39Å; W486-P674 PolarHBondContact NE1-O 2.72Å; L668-P674 HydrophobicContact CD2-CG 4.11Å; T669-P674 WeakPolarHBondContact OG1-CD 3.48Å
675I85.9Confident85.9Confident152 Ų15271.4 Ų71.478%0.77938%0.384SS*.PPolyproline II helixtrans-76.1129.4176-40.2-178.8000108.6N677I675-N677 WeakPolarHBondContact CG2-OD1 3.37Å
676F87.1Confident85.6Confident10 Ų1075.5 Ų75.54%0.04440%0.402CS..  trans-103.8102.7-176.4-174.7-93.8000110.5W486 A487 I489 F490 I522 V523 F530 Q678 Y679W486-F676 HydrophobicContact CH2-CB 4.37Å; W486-F676 HydrophobicContact CZ2-CB 4.09Å; A487-F676 HydrophobicContact CB-CB 4.11Å; A487-F676 HydrophobicContact CB-CD1 4.26Å; I489-F676 HydrophobicContact CG2-CD1 4.44Å; I489-F676 HydrophobicContact CG2-CE1 4.34Å; F490-F676 HydrophobicContact CE1-CE1 4.25Å; F490-F676 AromaticContact CE2-CD1 3.91Å; F490-F676 HydrophobicContact CE2-CD1 3.91Å; F490-F676 HydrophobicContact CE2-CE1 4.33Å; F490-F676 HydrophobicContact CE2-CG 4.34Å; F490-F676 AromaticContact CZ-CD1 3.6Å; F490-F676 HydrophobicContact CZ-CD1 3.6Å; F490-F676 AromaticContact CZ-CE1 3.57Å; F490-F676 HydrophobicContact CZ-CE1 3.57Å; F490-F676 HydrophobicContact CZ-CG 4.19Å; F490-F676 HydrophobicContact CZ-CZ 4.13Å; I522-F676 HydrophobicContact CG2-CE2 4.12Å; I522-F676 HydrophobicContact CG2-CZ 4.17Å; V523-F676 HydrophobicContact CG2-CD2 4.4Å; F530-F676 HydrophobicContact CD2-CE1 4.07Å; F530-F676 AromaticContact CD2-CZ 3.73Å; F530-F676 HydrophobicContact CD2-CZ 3.73Å; F530-F676 HydrophobicContact CE2-CE1 4.48Å; F530-F676 HydrophobicContact CE2-CZ 4.02Å; F676-Q678 HydrophobicContact CE1-CB 4.44Å; F676-Q678 HydrophobicContact CE2-CB 4.29Å; F676-Q678 HydrophobicContact CZ-CB 4.03Å; F676-Y679 HydrophobicContact CD1-CD1 4.01Å; F676-Y679 HydrophobicContact CD1-CE1 4.04Å; F676-Y679 HydrophobicContact CE1-CD1 4.01Å; F676-Y679 HydrophobicContact CE1-CE1 4.48Å; F676-Y679 WeakPolarHBondContact O-CE1 3.47Å
677N83.4Confident85.4Confident91 Ų9174.6 Ų74.649%0.48739%0.392SS..  trans-116.420-176.3-6840.4000113.1I675 Y679 E681I675-N677 WeakPolarHBondContact CG2-OD1 3.37Å; N677-Y679 PolarHBondContact O-N 2.86Å; N677-E681 PolarHBondContact ND2-OE1 3.02Å
678Q81.4Confident85.2Confident102 Ų10273.3 Ų73.348%0.47739%0.385SS..  trans-82.748.3-175.1-63.5-173.6-0.600112.9F676F676-Q678 HydrophobicContact CE1-CB 4.44Å; F676-Q678 HydrophobicContact CE2-CB 4.29Å; F676-Q678 HydrophobicContact CZ-CB 4.03Å
679Y86.6Confident85Confident35 Ų3580.8 Ų80.814%0.13741%0.412CS..SBendtrans-156.8162.3-178.461.2-98000114A487 I489 F676 N677 E681 V684A487-Y679 HydrophobicContact CB-CE1 4.25Å; I489-Y679 HydrophobicContact CB-CD1 3.86Å; I489-Y679 HydrophobicContact CB-CD2 4.08Å; I489-Y679 HydrophobicContact CB-CE1 3.88Å; I489-Y679 HydrophobicContact CB-CE2 4.14Å; I489-Y679 HydrophobicContact CB-CG 3.95Å; I489-Y679 HydrophobicContact CD1-CD1 4.13Å; I489-Y679 HydrophobicContact CD1-CD2 4.13Å; I489-Y679 HydrophobicContact CD1-CG 3.65Å; I489-Y679 HydrophobicContact CG1-CG 4.41Å; I489-Y679 HydrophobicContact CG2-CD1 3.44Å; I489-Y679 VanDerWaalsContact CG2-CD1 3.44Å; I489-Y679 HydrophobicContact CG2-CE1 3.4Å; I489-Y679 VanDerWaalsContact CG2-CE1 3.4Å; I489-Y679 HydrophobicContact CG2-CG 4.04Å; F676-Y679 HydrophobicContact CD1-CD1 4.01Å; F676-Y679 HydrophobicContact CD1-CE1 4.04Å; F676-Y679 HydrophobicContact CE1-CD1 4.01Å; F676-Y679 HydrophobicContact CE1-CE1 4.48Å; F676-Y679 WeakPolarHBondContact O-CE1 3.47Å; N677-Y679 PolarHBondContact O-N 2.86Å; Y679-E681 HydrophobicContact CD2-CG 4.35Å; Y679-E681 HydrophobicContact CE2-CB 4.49Å; Y679-E681 HydrophobicContact CE2-CG 3.94Å; Y679-E681 PolarHBondContact O-N 2.84Å; Y679-V684 HydrophobicContact CD2-CB 4.23Å; Y679-V684 HydrophobicContact CD2-CG2 3.71Å; Y679-V684 HydrophobicContact CE2-CB 4.02Å; Y679-V684 HydrophobicContact CE2-CG1 4.09Å; Y679-V684 HydrophobicContact CE2-CG2 3.97Å
680P86.1Confident84.7Confident40 Ų4080.8 Ų80.826%0.2641%0.407SS..  trans-67.691.4173.4-21.334.2000113.4F530 E531 F682 I683 V684F530-P680 VanDerWaalsContact O-CD 3.27Å; F530-P680 WeakPolarHBondContact O-CD 3.44Å; E531-P680 WeakPolarHBondContact O-CG 3.47Å; P680-F682 VanDerWaalsContact C-N 3.3Å; P680-F682 PolarHBondContact O-N 3.26Å; P680-I683 HydrophobicContact CB-CB 4.46Å; P680-I683 HydrophobicContact CB-CD1 3.98Å; P680-I683 HydrophobicContact CB-CG1 4.2Å; P680-I683 PolarHBondContact O-N 3.39Å; P680-V684 PolarHBondContact O-N 2.62Å
681E83.1Confident84.7Confident94 Ų9479.5 Ų79.544%0.43939%0.387SS..Hα-helixtrans-51.6-43.6-177.8-70.3-179.3147.400113.3N677 Y679 I683 V684 E685N677-E681 PolarHBondContact ND2-OE1 3.02Å; Y679-E681 HydrophobicContact CD2-CG 4.35Å; Y679-E681 HydrophobicContact CE2-CB 4.49Å; Y679-E681 HydrophobicContact CE2-CG 3.94Å; Y679-E681 PolarHBondContact O-N 2.84Å; E681-I683 VanDerWaalsContact C-N 3.34Å; E681-I683 PolarHBondContact O-N 2.88Å; E681-V684 PolarHBondContact O-N 2.88Å; E681-E685 WeakPolarHBondContact O-CB 3.4Å; E681-E685 PolarHBondContact O-N 2.75Å
682F84.3Confident84.7Confident174 Ų17480.3 Ų80.376%0.76338%0.378SS*.Hα-helixtrans-57.4-40.3-178.8178.8-97.1000113.9P680 F686P680-F682 VanDerWaalsContact C-N 3.3Å; P680-F682 PolarHBondContact O-N 3.26Å; F682-F686 WeakPolarHBondContact O-CB 3.25Å; F682-F686 PolarHBondContact O-N 2.82Å; F682-F686 VanDerWaalsContact O-N 3.07Å
683I82.4Confident84.7Confident63 Ų6378.1 Ų78.132%0.32336%0.364SS..Hα-helixtrans-71-45.1-178.7-60.2179.1000109.8P680 E681 F686 Q687P680-I683 HydrophobicContact CB-CB 4.46Å; P680-I683 HydrophobicContact CB-CD1 3.98Å; P680-I683 HydrophobicContact CB-CG1 4.2Å; P680-I683 PolarHBondContact O-N 3.39Å; E681-I683 VanDerWaalsContact C-N 3.34Å; E681-I683 PolarHBondContact O-N 2.88Å; I683-F686 PolarHBondContact O-N 2.89Å; I683-Q687 WeakPolarHBondContact O-CG 3.31Å; I683-Q687 PolarHBondContact O-N 3.08Å
684V84.1Confident84.4Confident2 Ų280.6 Ų80.61%0.01238%0.378CS..Hα-helixtrans-66-42.1179.6173.40000111.2A488 I489 E492 F533 Y679 P680 E681 Q687 S688A488-V684 HydrophobicContact CB-CG1 3.78Å; I489-V684 HydrophobicContact CB-CG1 4.22Å; I489-V684 HydrophobicContact CB-CG2 3.98Å; I489-V684 HydrophobicContact CD1-CG2 4.05Å; I489-V684 HydrophobicContact CG1-CG2 3.99Å; E492-V684 HydrophobicContact CG-CG1 4.42Å; F533-V684 HydrophobicContact CD1-CG2 4.08Å; F533-V684 HydrophobicContact CE1-CG2 4.16Å; Y679-V684 HydrophobicContact CD2-CB 4.23Å; Y679-V684 HydrophobicContact CD2-CG2 3.71Å; Y679-V684 HydrophobicContact CE2-CB 4.02Å; Y679-V684 HydrophobicContact CE2-CG1 4.09Å; Y679-V684 HydrophobicContact CE2-CG2 3.97Å; P680-V684 PolarHBondContact O-N 2.62Å; E681-V684 PolarHBondContact O-N 2.88Å; V684-Q687 PolarHBondContact O-N 2.82Å; V684-S688 VanDerWaalsContact O-CB 3.31Å; V684-S688 WeakPolarHBondContact O-CB 3.25Å; V684-S688 PolarHBondContact O-N 2.9Å
685E84.4Confident84.1Confident93 Ų9383.6 Ų83.644%0.43538%0.383SS..Hα-helixtrans-62.2-43.1174-83.8-160.1-147.100112.2E681 S688 R689E681-E685 WeakPolarHBondContact O-CB 3.4Å; E681-E685 PolarHBondContact O-N 2.75Å; E685-S688 PolarHBondContact O-N 3.41Å; E685-R689 WeakPolarHBondContact O-CB 3.38Å; E685-R689 WeakPolarHBondContact O-CD 3.46Å; E685-R689 WeakPolarHBondContact O-CG 3.46Å; E685-R689 PolarHBondContact O-N 3.37Å; E685-R689 IonicContact OE2-CZ 3.58Å; E685-R689 VanDerWaalsContact OE2-CZ 3.29Å; E685-R689 IonicContact OE2-NE 3.47Å; E685-R689 PolarHBondContact OE2-NE 3.39Å; E685-R689 IonicContact OE2-NH2 3.31Å; E685-R689 PolarHBondContact OE2-NH2 3.33Å
686F84.7Confident84.1Confident132 Ų13280.4 Ų80.458%0.57937%0.367SS*.Hα-helixtrans-59.8-49.1177.2178-95.8000111.3F682 I683 R689 E690F682-F686 WeakPolarHBondContact O-CB 3.25Å; F682-F686 PolarHBondContact O-N 2.82Å; F682-F686 VanDerWaalsContact O-N 3.07Å; I683-F686 PolarHBondContact O-N 2.89Å; F686-R689 PolarHBondContact O-N 3.05Å; F686-E690 WeakPolarHBondContact O-CB 3.15Å; F686-E690 PolarHBondContact O-N 3.48Å
687Q83.1Confident84.3Confident59 Ų5985 Ų8528%0.27639%0.389SS..Hα-helixtrans-62.6-44.1177.8-70.2175.9-21.400112.2E492 I683 V684 R689 E690 R691E492-Q687 HydrophobicContact CG-CB 4.1Å; E492-Q687 WeakPolarHBondContact OE2-CB 3.45Å; I683-Q687 WeakPolarHBondContact O-CG 3.31Å; I683-Q687 PolarHBondContact O-N 3.08Å; V684-Q687 PolarHBondContact O-N 2.82Å; Q687-R689 PolarHBondContact O-N 3.01Å; Q687-E690 PolarHBondContact O-N 3.43Å; Q687-R691 VanDerWaalsContact O-CB 3.3Å; Q687-R691 WeakPolarHBondContact O-CB 3.49Å; Q687-R691 PolarHBondContact O-N 3.27Å
688S83Confident84.3Confident45 Ų4586.4 Ų86.432%0.31539%0.393SS..Hα-helixtrans-64.1-38177.8-178.40000112.8V684 E685 E692V684-S688 VanDerWaalsContact O-CB 3.31Å; V684-S688 WeakPolarHBondContact O-CB 3.25Å; V684-S688 PolarHBondContact O-N 2.9Å; E685-S688 PolarHBondContact O-N 3.41Å; S688-E692 PolarHBondContact O-N 3.34Å
689R85.1Confident84.3Confident168 Ų16886.8 Ų86.863%0.63440%0.396SS*.Hα-helixtrans-67.6-44.8176.3-71.5164.9-173.1-152.32.7111.1E685 F686 Q687 E692 R693E685-R689 WeakPolarHBondContact O-CB 3.38Å; E685-R689 WeakPolarHBondContact O-CD 3.46Å; E685-R689 WeakPolarHBondContact O-CG 3.46Å; E685-R689 PolarHBondContact O-N 3.37Å; E685-R689 IonicContact OE2-CZ 3.58Å; E685-R689 VanDerWaalsContact OE2-CZ 3.29Å; E685-R689 IonicContact OE2-NE 3.47Å; E685-R689 PolarHBondContact OE2-NE 3.39Å; E685-R689 IonicContact OE2-NH2 3.31Å; E685-R689 PolarHBondContact OE2-NH2 3.33Å; F686-R689 PolarHBondContact O-N 3.05Å; Q687-R689 PolarHBondContact O-N 3.01Å; R689-E692 PolarHBondContact O-N 3.4Å; R689-R693 WeakPolarHBondContact O-CB 3.36Å; R689-R693 PolarHBondContact O-N 3.1Å
690E83.4Confident84.5Confident72 Ų7291.2 Ų91.234%0.33642%0.418SS..Hα-helixtrans-66.4-37.8180-174.963.3-17800112F686 Q687 R693 I694F686-E690 WeakPolarHBondContact O-CB 3.15Å; F686-E690 PolarHBondContact O-N 3.48Å; Q687-E690 PolarHBondContact O-N 3.43Å; E690-R693 WeakPolarHBondContact O-CB 3.23Å; E690-R693 PolarHBondContact O-N 3.19Å; E690-R693 IonicContact OE1-CZ 2.68Å; E690-R693 IonicContact OE1-NE 3.06Å; E690-R693 PolarHBondContact OE1-NE 3Å; E690-R693 IonicContact OE1-NH2 2.69Å; E690-R693 PolarHBondContact OE1-NH2 2.96Å; E690-R693 IonicContact OE2-CZ 2.65Å; E690-R693 IonicContact OE2-NE 2.7Å; E690-R693 PolarHBondContact OE2-NE 2.79Å; E690-R693 IonicContact OE2-NH2 3.56Å; E690-I694 HydrophobicContact CG-CD1 4.41Å; E690-I694 WeakPolarHBondContact O-CG1 3.43Å; E690-I694 PolarHBondContact O-N 3.3Å
691R82.4Confident84.7Confident74 Ų7496 Ų9628%0.27943%0.432SS..Hα-helixtrans-61.8-44.6173.3-175.1-177-66.9-156.3-4.8112.7A491 E492 Q687 I694 R695A491-R691 PolarHBondContact O-NH1 3.45Å; A491-R691 PolarHBondContact O-NH2 3.09Å; E492-R691 IonicContact OE1-CZ 3.69Å; E492-R691 IonicContact OE1-NE 3.8Å; E492-R691 PolarHBondContact OE1-NE 3.27Å; E492-R691 VanDerWaalsContact OE1-NE 3.16Å; E492-R691 IonicContact OE1-NH1 2.88Å; E492-R691 PolarHBondContact OE1-NH1 2.89Å; E492-R691 IonicContact OE1-NH2 2.69Å; E492-R691 PolarHBondContact OE1-NH2 3.24Å; E492-R691 VanDerWaalsContact OE1-NH2 3.13Å; E492-R691 IonicContact OE2-CZ 2.68Å; E492-R691 IonicContact OE2-NE 2.8Å; E492-R691 PolarHBondContact OE2-NE 2.87Å; E492-R691 IonicContact OE2-NH2 3.18Å; E492-R691 PolarHBondContact OE2-NH2 3.03Å; Q687-R691 VanDerWaalsContact O-CB 3.3Å; Q687-R691 WeakPolarHBondContact O-CB 3.49Å; Q687-R691 PolarHBondContact O-N 3.27Å; R691-I694 PolarHBondContact O-N 3.38Å; R691-R695 WeakPolarHBondContact O-CB 3.5Å; R691-R695 PolarHBondContact O-N 3.26Å
692E81.5Confident84.9Confident64 Ų6495.5 Ų95.530%0.29943%0.432SS..Hα-helixtrans-69.5-34.5176.6-169.766.9-177.600111.5S688 R689 I694 R695 L696S688-E692 PolarHBondContact O-N 3.34Å; R689-E692 PolarHBondContact O-N 3.4Å; E692-I694 PolarHBondContact O-N 3.47Å; E692-R695 PolarHBondContact O-N 2.91Å; E692-R695 IonicContact OE1-CZ 3.63Å; E692-R695 IonicContact OE1-NH1 3Å; E692-R695 PolarHBondContact OE1-NH1 3.24Å; E692-R695 IonicContact OE1-NH2 3.75Å; E692-R695 WeakPolarHBondContact OE2-CD 3.25Å; E692-R695 IonicContact OE2-CZ 3.18Å; E692-R695 IonicContact OE2-NE 3.11Å; E692-R695 IonicContact OE2-NH1 2.66Å; E692-R695 PolarHBondContact OE2-NH1 3.21Å; E692-L696 HydrophobicContact CG-CD1 4.39Å; E692-L696 WeakPolarHBondContact O-CG 3.45Å; E692-L696 PolarHBondContact O-N 2.95Å
693R87.9Confident85.2Confident106 Ų10693.1 Ų93.140%0.442%0.421SS..Hα-helixtrans-58.3-47.1172.2-167.1-168.767.265.61.9111.7R689 E690 L696 Q697R689-R693 WeakPolarHBondContact O-CB 3.36Å; R689-R693 PolarHBondContact O-N 3.1Å; E690-R693 WeakPolarHBondContact O-CB 3.23Å; E690-R693 PolarHBondContact O-N 3.19Å; E690-R693 IonicContact OE1-CZ 2.68Å; E690-R693 IonicContact OE1-NE 3.06Å; E690-R693 PolarHBondContact OE1-NE 3Å; E690-R693 IonicContact OE1-NH2 2.69Å; E690-R693 PolarHBondContact OE1-NH2 2.96Å; E690-R693 IonicContact OE2-CZ 2.65Å; E690-R693 IonicContact OE2-NE 2.7Å; E690-R693 PolarHBondContact OE2-NE 2.79Å; E690-R693 IonicContact OE2-NH2 3.56Å; R693-L696 PolarHBondContact O-N 3.47Å; R693-Q697 VanDerWaalsContact NH1-CD 3.3Å; R693-Q697 WeakPolarHBondContact O-CG 3.44Å; R693-Q697 PolarHBondContact O-N 3.42Å
694I84.9Confident85.6Confident75 Ų7595.5 Ų95.539%0.38543%0.431SS..Hα-helixtrans-62.5-48.8176.4-68.1163.6000110.4E690 R691 E692 L696 Q697 E698E690-I694 HydrophobicContact CG-CD1 4.41Å; E690-I694 WeakPolarHBondContact O-CG1 3.43Å; E690-I694 PolarHBondContact O-N 3.3Å; R691-I694 PolarHBondContact O-N 3.38Å; E692-I694 PolarHBondContact O-N 3.47Å; I694-L696 VanDerWaalsContact C-N 3.31Å; I694-L696 PolarHBondContact O-N 3.11Å; I694-Q697 WeakPolarHBondContact O-CB 3.41Å; I694-Q697 PolarHBondContact O-N 2.98Å; I694-Q697 VanDerWaalsContact O-N 3.11Å; I694-E698 HydrophobicContact CG2-CG 4.42Å; I694-E698 PolarHBondContact O-N 3.02Å
695R81.9Confident85.9Confident104 Ų104102.2 Ų102.239%0.39246%0.456SS..Hα-helixtrans-58-39.6179174.6-178.7156-129.9-14.5113.1R691 E692 E698 M699R691-R695 WeakPolarHBondContact O-CB 3.5Å; R691-R695 PolarHBondContact O-N 3.26Å; E692-R695 PolarHBondContact O-N 2.91Å; E692-R695 IonicContact OE1-CZ 3.63Å; E692-R695 IonicContact OE1-NH1 3Å; E692-R695 PolarHBondContact OE1-NH1 3.24Å; E692-R695 IonicContact OE1-NH2 3.75Å; E692-R695 WeakPolarHBondContact OE2-CD 3.25Å; E692-R695 IonicContact OE2-CZ 3.18Å; E692-R695 IonicContact OE2-NE 3.11Å; E692-R695 IonicContact OE2-NH1 2.66Å; E692-R695 PolarHBondContact OE2-NH1 3.21Å; R695-E698 PolarHBondContact O-N 2.88Å; R695-M699 WeakPolarHBondContact O-CB 3.44Å; R695-M699 PolarHBondContact O-N 3.35Å
696L86.1Confident86.1Confident85 Ų85104.4 Ų104.445%0.44547%0.466SS..Hα-helixtrans-65.2-41.1177.1-73170.3000111.3E692 R693 I694 M699 E700E692-L696 HydrophobicContact CG-CD1 4.39Å; E692-L696 WeakPolarHBondContact O-CG 3.45Å; E692-L696 PolarHBondContact O-N 2.95Å; R693-L696 PolarHBondContact O-N 3.47Å; I694-L696 VanDerWaalsContact C-N 3.31Å; I694-L696 PolarHBondContact O-N 3.11Å; L696-M699 HydrophobicContact CD2-CE 3.96Å; L696-M699 PolarHBondContact O-N 3.31Å; L696-E700 WeakPolarHBondContact O-CB 3.33Å; L696-E700 PolarHBondContact O-N 3.44Å
697Q89.6Confident86.5Confident107 Ų107103.2 Ų103.250%0.546%0.462SS..Hα-helixtrans-65.7-39.3174.6-68.6-178.1-37.800112.5R693 I694 E700 Y701R693-Q697 VanDerWaalsContact NH1-CD 3.3Å; R693-Q697 WeakPolarHBondContact O-CG 3.44Å; R693-Q697 PolarHBondContact O-N 3.42Å; I694-Q697 WeakPolarHBondContact O-CB 3.41Å; I694-Q697 PolarHBondContact O-N 2.98Å; I694-Q697 VanDerWaalsContact O-N 3.11Å; Q697-E700 PolarHBondContact O-N 2.85Å; Q697-Y701 WeakPolarHBondContact O-CB 3.47Å; Q697-Y701 PolarHBondContact O-N 2.84Å
698E84.4Confident87Confident120 Ų120105 Ų10556%0.56147%0.473SS*.Hα-helixtrans-62.9-40.9172.9-70.8-176.7152.600112.2I694 R695 L702I694-E698 HydrophobicContact CG2-CG 4.42Å; I694-E698 PolarHBondContact O-N 3.02Å; R695-E698 PolarHBondContact O-N 2.88Å; E698-L702 WeakPolarHBondContact O-CB 3.48Å; E698-L702 VanDerWaalsContact O-CG 3.23Å; E698-L702 WeakPolarHBondContact O-CG 3.46Å; E698-L702 PolarHBondContact O-N 3.33Å
699M82.1Confident87.4Confident110 Ų110105.9 Ų105.954%0.54248%0.48SS..Hα-helixtrans-67.8-39.9178.8-173.1179.771.200112.1R695 L696 L702 K703R695-M699 WeakPolarHBondContact O-CB 3.44Å; R695-M699 PolarHBondContact O-N 3.35Å; L696-M699 HydrophobicContact CD2-CE 3.96Å; L696-M699 PolarHBondContact O-N 3.31Å; M699-L702 PolarHBondContact O-N 3.03Å; M699-K703 WeakPolarHBondContact O-CB 3.47Å; M699-K703 PolarHBondContact O-N 2.92Å
700E89.9Confident87.8Confident128 Ų128100.5 Ų100.560%0.59847%0.471SS*.Hα-helixtrans-63.4-50.5174.2-173.2161.7-126.800110.9L696 Q697 L702 K703 E704L696-E700 WeakPolarHBondContact O-CB 3.33Å; L696-E700 PolarHBondContact O-N 3.44Å; Q697-E700 PolarHBondContact O-N 2.85Å; E700-L702 VanDerWaalsContact C-N 3.33Å; E700-L702 PolarHBondContact O-N 2.94Å; E700-K703 WeakPolarHBondContact O-CB 3.38Å; E700-K703 PolarHBondContact O-N 2.95Å; E700-K703 VanDerWaalsContact O-N 3.1Å; E700-E704 PolarHBondContact O-N 3.06Å
701Y89.6Confident88.3Confident141 Ų141102.4 Ų102.455%0.55348%0.483SS*.Hα-helixtrans-57.2-41.2174.5172.3-101.2000113.2Q697 R705Q697-Y701 WeakPolarHBondContact O-CB 3.47Å; Q697-Y701 PolarHBondContact O-N 2.84Å; Y701-R705 VanDerWaalsContact O-CB 3.3Å; Y701-R705 WeakPolarHBondContact O-CB 3.23Å; Y701-R705 PolarHBondContact O-N 2.9Å
702L87.5Confident88.8Confident84 Ų84107.7 Ų107.744%0.4450%0.503SS..Hα-helixtrans-65.2-38.1176.5-77.5171.3000112.2E698 M699 E700 R705 E706E698-L702 WeakPolarHBondContact O-CB 3.48Å; E698-L702 VanDerWaalsContact O-CG 3.23Å; E698-L702 WeakPolarHBondContact O-CG 3.46Å; E698-L702 PolarHBondContact O-N 3.33Å; M699-L702 PolarHBondContact O-N 3.03Å; E700-L702 VanDerWaalsContact C-N 3.33Å; E700-L702 PolarHBondContact O-N 2.94Å; L702-R705 PolarHBondContact O-N 2.67Å; L702-E706 PolarHBondContact O-N 3.11Å
703K90.4Very high89.3Confident124 Ų124107.6 Ų107.654%0.53951%0.513SS..Hα-helixtrans-67.2-47.3176179.5177.7173.2-71.90111.7M699 E700 R705 E706 E707M699-K703 WeakPolarHBondContact O-CB 3.47Å; M699-K703 PolarHBondContact O-N 2.92Å; E700-K703 WeakPolarHBondContact O-CB 3.38Å; E700-K703 PolarHBondContact O-N 2.95Å; E700-K703 VanDerWaalsContact O-N 3.1Å; K703-R705 VanDerWaalsContact C-N 3.25Å; K703-R705 PolarHBondContact O-N 2.95Å; K703-E706 PolarHBondContact O-N 3.34Å; K703-E706 VanDerWaalsContact O-N 3.12Å; K703-E707 VanDerWaalsContact CE-OE1 3.28Å; K703-E707 WeakPolarHBondContact CE-OE1 3.4Å; K703-E707 IonicContact NZ-OE1 2.77Å; K703-E707 PolarHBondContact NZ-OE1 2.96Å; K703-E707 WeakPolarHBondContact O-CG 3.33Å; K703-E707 PolarHBondContact O-N 3.44Å
704E91.3Very high89.5Confident113 Ų113104.7 Ų104.753%0.52851%0.506SS..Hα-helixtrans-56.4-42.2173.3-69.6-172.314800111.5E700 E706 E707 L708E700-E704 PolarHBondContact O-N 3.06Å; E704-E706 VanDerWaalsContact C-N 3.35Å; E704-E706 PolarHBondContact O-N 3.39Å; E704-E707 PolarHBondContact O-N 3.36Å; E704-L708 WeakPolarHBondContact O-CB 3.47Å; E704-L708 VanDerWaalsContact O-CG 3.29Å; E704-L708 WeakPolarHBondContact O-CG 3.32Å; E704-L708 PolarHBondContact O-N 3.28Å
705R91.4Very high90Very high143 Ų143107.4 Ų107.454%0.5452%0.515SS..Hα-helixtrans-65.9-35.7177.8-164.3-173.972.5172.92.1112.5Y701 L702 K703 S709Y701-R705 VanDerWaalsContact O-CB 3.3Å; Y701-R705 WeakPolarHBondContact O-CB 3.23Å; Y701-R705 PolarHBondContact O-N 2.9Å; L702-R705 PolarHBondContact O-N 2.67Å; K703-R705 VanDerWaalsContact C-N 3.25Å; K703-R705 PolarHBondContact O-N 2.95Å; R705-S709 WeakPolarHBondContact O-CB 3.48Å; R705-S709 PolarHBondContact O-N 3.01Å
706E88.7Confident90.6Very high139 Ų139106.9 Ų106.965%0.6552%0.523SS*.Hα-helixtrans-68.3-46.4174.1-173.6166.5-161.300111.2L702 K703 E704 L708 S709 A710L702-E706 PolarHBondContact O-N 3.11Å; K703-E706 PolarHBondContact O-N 3.34Å; K703-E706 VanDerWaalsContact O-N 3.12Å; E704-E706 VanDerWaalsContact C-N 3.35Å; E704-E706 PolarHBondContact O-N 3.39Å; E706-L708 PolarHBondContact O-N 2.99Å; E706-S709 WeakPolarHBondContact O-CA 3.3Å; E706-S709 WeakPolarHBondContact O-CB 3.32Å; E706-S709 PolarHBondContact O-N 3.48Å; E706-S709 PolarHBondContact O-OG 3.39Å; E706-A710 PolarHBondContact O-N 2.89Å
707E92.9Very high91Very high106 Ų106109.3 Ų109.350%0.49553%0.526SS..Hα-helixtrans-59.1-44.3175.7-72175.3-167.100112.2K703 E704 S709 A710 L711K703-E707 VanDerWaalsContact CE-OE1 3.28Å; K703-E707 WeakPolarHBondContact CE-OE1 3.4Å; K703-E707 IonicContact NZ-OE1 2.77Å; K703-E707 PolarHBondContact NZ-OE1 2.96Å; K703-E707 WeakPolarHBondContact O-CG 3.33Å; K703-E707 PolarHBondContact O-N 3.44Å; E704-E707 PolarHBondContact O-N 3.36Å; E707-S709 VanDerWaalsContact C-N 3.29Å; E707-S709 PolarHBondContact O-N 3.17Å; E707-A710 PolarHBondContact O-N 2.93Å; E707-L711 WeakPolarHBondContact O-CB 3.42Å; E707-L711 PolarHBondContact O-N 3.49Å
708L92.7Very high91.1Very high96 Ų96110.7 Ų110.750%0.50353%0.527SS..Hα-helixtrans-63.1-33172.5-73.5171.2000112.7E704 E706 R712E704-L708 WeakPolarHBondContact O-CB 3.47Å; E704-L708 VanDerWaalsContact O-CG 3.29Å; E704-L708 WeakPolarHBondContact O-CG 3.32Å; E704-L708 PolarHBondContact O-N 3.28Å; E706-L708 PolarHBondContact O-N 2.99Å; L708-R712 VanDerWaalsContact O-CG 3.25Å; L708-R712 WeakPolarHBondContact O-CG 3.41Å; L708-R712 PolarHBondContact O-N 3.42Å; L708-R712 VanDerWaalsContact O-N 3.14Å
709S91Very high91.6Very high65 Ų65108.4 Ų108.446%0.45552%0.516SS..Hα-helixtrans-72.2-39.6176.481.90000112.2R705 E706 E707 R712 A713R705-S709 WeakPolarHBondContact O-CB 3.48Å; R705-S709 PolarHBondContact O-N 3.01Å; E706-S709 WeakPolarHBondContact O-CA 3.3Å; E706-S709 WeakPolarHBondContact O-CB 3.32Å; E706-S709 PolarHBondContact O-N 3.48Å; E706-S709 PolarHBondContact O-OG 3.39Å; E707-S709 VanDerWaalsContact C-N 3.29Å; E707-S709 PolarHBondContact O-N 3.17Å; S709-R712 PolarHBondContact O-N 2.75Å; S709-A713 PolarHBondContact O-N 3.28Å
710A93.4Very high92.1Very high55 Ų55105.9 Ų105.946%0.45551%0.513SS..Hα-helixtrans-64.5-45.4174.800000111E706 E707 R712 A713 D714E706-A710 PolarHBondContact O-N 2.89Å; E707-A710 PolarHBondContact O-N 2.93Å; A710-R712 VanDerWaalsContact C-N 3.3Å; A710-R712 PolarHBondContact O-N 3.32Å; A710-A713 PolarHBondContact O-N 3.2Å; A710-A713 VanDerWaalsContact O-N 3.15Å; A710-D714 WeakPolarHBondContact O-CB 3.48Å; A710-D714 PolarHBondContact O-N 3.12Å
711L94.6Very high92.3Very high111 Ų111104.9 Ų104.958%0.58151%0.508SS*.Hα-helixtrans-60.2-38.2176.2-175.662.1000112.4E707 F715E707-L711 WeakPolarHBondContact O-CB 3.42Å; E707-L711 PolarHBondContact O-N 3.49Å; L711-F715 WeakPolarHBondContact O-CB 3.48Å; L711-F715 PolarHBondContact O-N 3.23Å
712R92.3Very high92.6Very high185 Ų185103.1 Ų103.170%0.69851%0.505SS*.Hα-helixtrans-67.1-42.3173.5-74.9171.2-179.7-171.71.5112.4L708 S709 A710 D714 F715 V716L708-R712 VanDerWaalsContact O-CG 3.25Å; L708-R712 WeakPolarHBondContact O-CG 3.41Å; L708-R712 PolarHBondContact O-N 3.42Å; L708-R712 VanDerWaalsContact O-N 3.14Å; S709-R712 PolarHBondContact O-N 2.75Å; A710-R712 VanDerWaalsContact C-N 3.3Å; A710-R712 PolarHBondContact O-N 3.32Å; R712-D714 VanDerWaalsContact C-N 3.33Å; R712-F715 PolarHBondContact O-N 3.29Å; R712-V716 WeakPolarHBondContact O-CG2 3.34Å; R712-V716 PolarHBondContact O-N 2.76Å
713A92.4Very high92.9Very high62 Ų62105 Ų10551%0.51251%0.51SS..Hα-helixtrans-62.7-41175.700000111.6S709 A710 V716 R717S709-A713 PolarHBondContact O-N 3.28Å; A710-A713 PolarHBondContact O-N 3.2Å; A710-A713 VanDerWaalsContact O-N 3.15Å; A713-V716 PolarHBondContact O-N 3.34Å; A713-R717 VanDerWaalsContact O-CB 3.3Å; A713-R717 WeakPolarHBondContact O-CB 3.32Å; A713-R717 PolarHBondContact O-N 3.11Å
714D93.4Very high93Very high46 Ų46102 Ų10225%0.24651%0.508CS..Hα-helixtrans-63.8-41.5174.8-103.633.5000113A710 R712 R717 R718A710-D714 WeakPolarHBondContact O-CB 3.48Å; A710-D714 PolarHBondContact O-N 3.12Å; R712-D714 VanDerWaalsContact C-N 3.33Å; D714-R717 PolarHBondContact O-N 3.5Å; D714-R717 IonicContact OD1-CZ 2.64Å; D714-R717 IonicContact OD1-NE 3.64Å; D714-R717 IonicContact OD1-NH2 3.34Å; D714-R717 PolarHBondContact OD1-NH2 3.3Å; D714-R717 IonicContact OD2-NH2 2.68Å; D714-R718 WeakPolarHBondContact O-CG 3.2Å; D714-R718 PolarHBondContact O-N 3.41Å; D714-R718 IonicContact OD2-CZ 2.68Å; D714-R718 IonicContact OD2-NH1 3.85Å; D714-R718 IonicContact OD2-NH2 3.13Å; D714-R718 PolarHBondContact OD2-NH2 3.03Å
715F93.6Very high93.1Very high132 Ų132103.1 Ų103.158%0.57951%0.508SS*.Hα-helixtrans-62.7-46.9174.2178-95.9000111.9L711 R712 R717 R718 Q719L711-F715 WeakPolarHBondContact O-CB 3.48Å; L711-F715 PolarHBondContact O-N 3.23Å; R712-F715 PolarHBondContact O-N 3.29Å; F715-R717 VanDerWaalsContact C-N 3.32Å; F715-R717 PolarHBondContact O-N 2.99Å; F715-R718 PolarHBondContact O-N 2.69Å; F715-Q719 WeakPolarHBondContact O-CB 3.26Å; F715-Q719 PolarHBondContact O-N 2.77Å
716V95.4Very high93.3Very high93 Ų93103 Ų10356%0.56451%0.508SS*.Hα-helixtrans-62.8-39.8177.2171.20000111.3R712 A713 Q719 A720R712-V716 WeakPolarHBondContact O-CG2 3.34Å; R712-V716 PolarHBondContact O-N 2.76Å; A713-V716 PolarHBondContact O-N 3.34Å; V716-Q719 PolarHBondContact O-N 3.03Å; V716-A720 WeakPolarHBondContact O-CB 3.43Å; V716-A720 PolarHBondContact O-N 3.38Å
717R93.8Very high93.5Very high135 Ų13599 Ų9951%0.50950%0.499SS..Hα-helixtrans-61.5-52.6175.4173161.861.3121.5-8.7112A713 D714 F715 Q719 A720 E721A713-R717 VanDerWaalsContact O-CB 3.3Å; A713-R717 WeakPolarHBondContact O-CB 3.32Å; A713-R717 PolarHBondContact O-N 3.11Å; D714-R717 PolarHBondContact O-N 3.5Å; D714-R717 IonicContact OD1-CZ 2.64Å; D714-R717 IonicContact OD1-NE 3.64Å; D714-R717 IonicContact OD1-NH2 3.34Å; D714-R717 PolarHBondContact OD1-NH2 3.3Å; D714-R717 IonicContact OD2-NH2 2.68Å; F715-R717 VanDerWaalsContact C-N 3.32Å; F715-R717 PolarHBondContact O-N 2.99Å; R717-Q719 VanDerWaalsContact C-N 3.3Å; R717-Q719 PolarHBondContact O-N 3.43Å; R717-A720 WeakPolarHBondContact O-CB 3.49Å; R717-A720 PolarHBondContact O-N 3.26Å; R717-E721 WeakPolarHBondContact CG-OE1 3.24Å; R717-E721 WeakPolarHBondContact O-CG 3.25Å; R717-E721 PolarHBondContact O-N 3.02Å
718R92.8Very high93.5Very high137 Ų137100 Ų10052%0.51750%0.504SS..Hα-helixtrans-58.7-41.2176.8-71.6179.6-171.5110.918.8111.9D714 F715 A720 E721 E722D714-R718 WeakPolarHBondContact O-CG 3.2Å; D714-R718 PolarHBondContact O-N 3.41Å; D714-R718 IonicContact OD2-CZ 2.68Å; D714-R718 IonicContact OD2-NH1 3.85Å; D714-R718 IonicContact OD2-NH2 3.13Å; D714-R718 PolarHBondContact OD2-NH2 3.03Å; F715-R718 PolarHBondContact O-N 2.69Å; R718-A720 VanDerWaalsContact C-N 3.31Å; R718-A720 PolarHBondContact O-N 3.09Å; R718-E721 PolarHBondContact O-N 3.48Å; R718-E722 VanDerWaalsContact O-CB 3.31Å; R718-E722 WeakPolarHBondContact O-CB 3.48Å; R718-E722 PolarHBondContact O-N 3.22Å
719Q93.6Very high93.5Very high72 Ų7299.1 Ų99.134%0.33650%0.497SS..Hα-helixtrans-66.3-32.1176.9-164.5-169.88700112.6F715 V716 R717 K723F715-Q719 WeakPolarHBondContact O-CB 3.26Å; F715-Q719 PolarHBondContact O-N 2.77Å; V716-Q719 PolarHBondContact O-N 3.03Å; R717-Q719 VanDerWaalsContact C-N 3.3Å; R717-Q719 PolarHBondContact O-N 3.43Å; Q719-K723 HydrophobicContact CG-CD 4.3Å; Q719-K723 WeakPolarHBondContact O-CB 3.42Å; Q719-K723 WeakPolarHBondContact O-CD 3.33Å; Q719-K723 WeakPolarHBondContact O-CG 3.28Å; Q719-K723 PolarHBondContact O-N 3.49Å
720A93.3Very high93.6Very high57 Ų57100.7 Ų100.747%0.47150%0.497SS..Hα-helixtrans-72.8-41.2174.100000112V716 R717 R718 K723 A724V716-A720 WeakPolarHBondContact O-CB 3.43Å; V716-A720 PolarHBondContact O-N 3.38Å; R717-A720 WeakPolarHBondContact O-CB 3.49Å; R717-A720 PolarHBondContact O-N 3.26Å; R718-A720 VanDerWaalsContact C-N 3.31Å; R718-A720 PolarHBondContact O-N 3.09Å; A720-K723 PolarHBondContact O-N 3.31Å; A720-A724 WeakPolarHBondContact O-CB 3.42Å; A720-A724 PolarHBondContact O-N 3.4Å
721E94.8Very high93.6Very high107 Ų107103.8 Ų103.850%0.551%0.506SS..Hα-helixtrans-60.7-46.3173.8-69.8162.817900111.1R717 R718 A724 Y725R717-E721 WeakPolarHBondContact CG-OE1 3.24Å; R717-E721 WeakPolarHBondContact O-CG 3.25Å; R717-E721 PolarHBondContact O-N 3.02Å; R718-E721 PolarHBondContact O-N 3.48Å; E721-A724 PolarHBondContact O-N 2.93Å; E721-Y725 WeakPolarHBondContact O-CB 3.43Å; E721-Y725 PolarHBondContact O-N 2.98Å
722E95.1Very high93.5Very high103 Ų103103.6 Ų103.648%0.48150%0.504SS..Hα-helixtrans-61.8-46.4175.8-179.8177.2-153.700112.4R718 A724 Y725 Y726R718-E722 VanDerWaalsContact O-CB 3.31Å; R718-E722 WeakPolarHBondContact O-CB 3.48Å; R718-E722 PolarHBondContact O-N 3.22Å; E722-A724 VanDerWaalsContact C-N 3.33Å; E722-A724 PolarHBondContact O-N 3.41Å; E722-Y725 WeakPolarHBondContact O-CB 3.26Å; E722-Y725 PolarHBondContact O-N 3.29Å; E722-Y726 HydrophobicContact CG-CD2 3.81Å; E722-Y726 HydrophobicContact CG-CE2 3.48Å; E722-Y726 VanDerWaalsContact CG-CE2 3.48Å; E722-Y726 VanDerWaalsContact O-CD2 3.25Å; E722-Y726 WeakPolarHBondContact O-CD2 3.48Å; E722-Y726 PolarHBondContact O-N 2.94Å
723K93.8Very high93.5Very high125 Ų125100 Ų10054%0.54350%0.496SS..Hα-helixtrans-62.1-39.1175.8-77.2168.1177.11720112.4Q719 A720 A727Q719-K723 HydrophobicContact CG-CD 4.3Å; Q719-K723 WeakPolarHBondContact O-CB 3.42Å; Q719-K723 WeakPolarHBondContact O-CD 3.33Å; Q719-K723 WeakPolarHBondContact O-CG 3.28Å; Q719-K723 PolarHBondContact O-N 3.49Å; A720-K723 PolarHBondContact O-N 3.31Å; K723-A727 WeakPolarHBondContact O-CB 3.47Å; K723-A727 PolarHBondContact O-N 2.85Å
724A93.3Very high93.6Very high60 Ų60102.1 Ų102.150%0.49649%0.493SS..Hα-helixtrans-66.6-40.6175.800000111.8A720 E721 E722 A727 Q728A720-A724 WeakPolarHBondContact O-CB 3.42Å; A720-A724 PolarHBondContact O-N 3.4Å; E721-A724 PolarHBondContact O-N 2.93Å; E722-A724 VanDerWaalsContact C-N 3.33Å; E722-A724 PolarHBondContact O-N 3.41Å; A724-A727 PolarHBondContact O-N 3.22Å; A724-Q728 WeakPolarHBondContact O-CB 3.31Å; A724-Q728 PolarHBondContact O-N 3.13Å
725Y93.9Very high93.5Very high137 Ų137102.1 Ų102.154%0.53750%0.5SS..Hα-helixtrans-61-50.2175.7178.1-92.7000112E721 E722 A727 Q728 Q729E721-Y725 WeakPolarHBondContact O-CB 3.43Å; E721-Y725 PolarHBondContact O-N 2.98Å; E722-Y725 WeakPolarHBondContact O-CB 3.26Å; E722-Y725 PolarHBondContact O-N 3.29Å; Y725-A727 PolarHBondContact O-N 2.97Å; Y725-Q728 PolarHBondContact O-N 2.87Å; Y725-Q729 PolarHBondContact O-N 3.47Å; Y725-Q729 PolarHBondContact OH-OE1 3.16Å
726Y93.9Very high93.3Very high140 Ų140100.3 Ų100.355%0.54949%0.493SS..Hα-helixtrans-62.6-41.5177.2-74.6-61.4000112.6E722 Q728 Q729 E730E722-Y726 HydrophobicContact CG-CD2 3.81Å; E722-Y726 HydrophobicContact CG-CE2 3.48Å; E722-Y726 VanDerWaalsContact CG-CE2 3.48Å; E722-Y726 VanDerWaalsContact O-CD2 3.25Å; E722-Y726 WeakPolarHBondContact O-CD2 3.48Å; E722-Y726 PolarHBondContact O-N 2.94Å; Y726-Q728 VanDerWaalsContact C-N 3.32Å; Y726-Q728 PolarHBondContact O-N 2.73Å; Y726-Q729 PolarHBondContact O-N 2.56Å; Y726-Q729 VanDerWaalsContact O-N 3.17Å; Y726-E730 WeakPolarHBondContact O-CB 3.39Å; Y726-E730 PolarHBondContact O-N 3.35Å
727A94.4Very high93.2Very high55 Ų55101.3 Ų101.346%0.45549%0.492SS..Hα-helixtrans-63.1-36.7176.200000112.6K723 A724 Y725 L731K723-A727 WeakPolarHBondContact O-CB 3.47Å; K723-A727 PolarHBondContact O-N 2.85Å; A724-A727 PolarHBondContact O-N 3.22Å; Y725-A727 PolarHBondContact O-N 2.97Å; A727-L731 WeakPolarHBondContact O-CB 3.19Å; A727-L731 PolarHBondContact O-N 2.89Å
728Q92.6Very high93.1Very high128 Ų128101 Ų10160%0.59850%0.496SS*.Hα-helixtrans-66.9-41.2172.7-176.5176.7-2.400111.5A724 Y725 Y726 L731 L732A724-Q728 WeakPolarHBondContact O-CB 3.31Å; A724-Q728 PolarHBondContact O-N 3.13Å; Y725-Q728 PolarHBondContact O-N 2.87Å; Y726-Q728 VanDerWaalsContact C-N 3.32Å; Y726-Q728 PolarHBondContact O-N 2.73Å; Q728-L731 PolarHBondContact O-N 2.74Å; Q728-L732 HydrophobicContact CG-CD1 4.35Å; Q728-L732 WeakPolarHBondContact O-CG 3.39Å; Q728-L732 PolarHBondContact O-N 2.89Å
729Q91.5Very high93.1Very high77 Ų77102.7 Ų102.736%0.3650%0.503SS..Hα-helixtrans-68.9-38-179.9-169.2164.3-0.300112.4Y725 Y726 L731 L732 Q733Y725-Q729 PolarHBondContact O-N 3.47Å; Y725-Q729 PolarHBondContact OH-OE1 3.16Å; Y726-Q729 PolarHBondContact O-N 2.56Å; Y726-Q729 VanDerWaalsContact O-N 3.17Å; Q729-L731 VanDerWaalsContact C-N 3.34Å; Q729-L732 PolarHBondContact O-N 3.17Å; Q729-Q733 WeakPolarHBondContact O-CG 3.48Å; Q729-Q733 PolarHBondContact O-N 2.86Å
730E93.3Very high93Very high97 Ų97106.8 Ų106.845%0.45352%0.515SS..Hα-helixtrans-61.8-40.9171.7-169-164.5146.800111.7Y726 Q733 K734Y726-E730 WeakPolarHBondContact O-CB 3.39Å; Y726-E730 PolarHBondContact O-N 3.35Å; E730-Q733 PolarHBondContact O-N 3.16Å; E730-K734 HydrophobicContact CG-CD 4.43Å; E730-K734 WeakPolarHBondContact O-CG 3.46Å; E730-K734 PolarHBondContact O-N 2.87Å; E730-K734 WeakPolarHBondContact OE1-CE 3.44Å; E730-K734 IonicContact OE1-NZ 2.61Å; E730-K734 PolarHBondContact OE1-NZ 2.8Å
731L93.1Very high93Very high121 Ų121108.9 Ų108.963%0.63452%0.518SS*.Hα-helixtrans-68.1-38.4177.7-163.5154.9000111.6A727 Q728 Q729 K734 A735A727-L731 WeakPolarHBondContact O-CB 3.19Å; A727-L731 PolarHBondContact O-N 2.89Å; Q728-L731 PolarHBondContact O-N 2.74Å; Q729-L731 VanDerWaalsContact C-N 3.34Å; L731-K734 PolarHBondContact O-N 3.26Å; L731-A735 WeakPolarHBondContact O-CB 3.29Å; L731-A735 PolarHBondContact O-N 2.87Å
732L93.2Very high92.9Very high106 Ų106108.7 Ų108.756%0.55552%0.519SS*.Hα-helixtrans-64.1-43172.4-73170.5000112.2Q728 Q729 A735 E736Q728-L732 HydrophobicContact CG-CD1 4.35Å; Q728-L732 WeakPolarHBondContact O-CG 3.39Å; Q728-L732 PolarHBondContact O-N 2.89Å; Q729-L732 PolarHBondContact O-N 3.17Å; L732-A735 PolarHBondContact O-N 3.27Å; L732-E736 PolarHBondContact O-N 2.88Å
733Q92.9Very high92.7Very high111 Ų111108.1 Ų108.152%0.51952%0.519SS..Hα-helixtrans-59.9-47.9174.9-76.2173.8-21.200111.3Q729 E730 A735 E736 E737Q729-Q733 WeakPolarHBondContact O-CG 3.48Å; Q729-Q733 PolarHBondContact O-N 2.86Å; E730-Q733 PolarHBondContact O-N 3.16Å; Q733-A735 VanDerWaalsContact C-N 3.31Å; Q733-A735 PolarHBondContact O-N 2.91Å; Q733-E736 PolarHBondContact O-N 3.38Å; Q733-E737 WeakPolarHBondContact O-CG 3.36Å; Q733-E737 PolarHBondContact O-N 2.89Å
734K93.6Very high92.6Very high105 Ų105104.8 Ų104.846%0.45752%0.515SS..Hα-helixtrans-60.2-37.7176.3-75.7170.3172.3174.60112.9E730 L731 Q738E730-K734 HydrophobicContact CG-CD 4.43Å; E730-K734 WeakPolarHBondContact O-CG 3.46Å; E730-K734 PolarHBondContact O-N 2.87Å; E730-K734 WeakPolarHBondContact OE1-CE 3.44Å; E730-K734 IonicContact OE1-NZ 2.61Å; E730-K734 PolarHBondContact OE1-NZ 2.8Å; L731-K734 PolarHBondContact O-N 3.26Å; K734-Q738 WeakPolarHBondContact O-CB 3.48Å; K734-Q738 VanDerWaalsContact O-CG 3.26Å; K734-Q738 WeakPolarHBondContact O-CG 3.11Å; K734-Q738 PolarHBondContact O-N 2.94Å
735A92.1Very high92.4Very high47 Ų47107.2 Ų107.239%0.38852%0.516SS..Hα-helixtrans-68.1-35.6174.100000112.4L731 L732 Q733 R739L731-A735 WeakPolarHBondContact O-CB 3.29Å; L731-A735 PolarHBondContact O-N 2.87Å; L732-A735 PolarHBondContact O-N 3.27Å; Q733-A735 VanDerWaalsContact C-N 3.31Å; Q733-A735 PolarHBondContact O-N 2.91Å; A735-R739 WeakPolarHBondContact O-CB 3.5Å; A735-R739 PolarHBondContact O-N 2.86Å
736E89.6Confident92.2Very high93 Ų93104.7 Ų104.744%0.43551%0.509SS..Hα-helixtrans-70.3-42.7174.9-155.1-162.1140.300112.1L732 Q733 Q738 R739 R740L732-E736 PolarHBondContact O-N 2.88Å; Q733-E736 PolarHBondContact O-N 3.38Å; E736-Q738 PolarHBondContact O-N 3.19Å; E736-R739 WeakPolarHBondContact O-CB 3.35Å; E736-R739 PolarHBondContact O-N 2.95Å; E736-R740 WeakPolarHBondContact O-CG 3.07Å; E736-R740 PolarHBondContact O-N 2.85Å; E736-R740 IonicContact OE1-CZ 3.16Å; E736-R740 IonicContact OE1-NE 3.15Å; E736-R740 PolarHBondContact OE1-NE 2.82Å; E736-R740 IonicContact OE1-NH2 3.47Å; E736-R740 PolarHBondContact OE1-NH2 3.13Å
737E92.9Very high91.9Very high115 Ų115104.7 Ų104.754%0.53751%0.514SS..Hα-helixtrans-59-46.1173.4-72.2179.4159.400111.6Q733 R739 R740 N741Q733-E737 WeakPolarHBondContact O-CG 3.36Å; Q733-E737 PolarHBondContact O-N 2.89Å; E737-R739 VanDerWaalsContact C-N 3.32Å; E737-R739 PolarHBondContact O-N 2.84Å; E737-R740 PolarHBondContact O-N 2.87Å; E737-N741 WeakPolarHBondContact O-CB 3.44Å; E737-N741 PolarHBondContact O-N 3.18Å; E737-N741 PolarHBondContact O-ND2 3.46Å
738Q91.7Very high91.7Very high128 Ų128107.5 Ų107.560%0.59852%0.518SS*.Hα-helixtrans-58.2-43.9173.5-75.8175.3-0.800111.8K734 E736 N741 I742K734-Q738 WeakPolarHBondContact O-CB 3.48Å; K734-Q738 VanDerWaalsContact O-CG 3.26Å; K734-Q738 WeakPolarHBondContact O-CG 3.11Å; K734-Q738 PolarHBondContact O-N 2.94Å; E736-Q738 PolarHBondContact O-N 3.19Å; Q738-N741 PolarHBondContact O-N 3.45Å; Q738-I742 WeakPolarHBondContact O-CD1 3.45Å; Q738-I742 VanDerWaalsContact O-CG1 3.28Å; Q738-I742 WeakPolarHBondContact O-CG1 3.43Å; Q738-I742 PolarHBondContact O-N 2.83Å
739R92.3Very high91.7Very high173 Ų173105.8 Ų105.865%0.65351%0.508SS*.Hα-helixtrans-63-43.7176.1-176.8-179176.6-167.9-1.6112.2A735 E736 E737 I742 L743A735-R739 WeakPolarHBondContact O-CB 3.5Å; A735-R739 PolarHBondContact O-N 2.86Å; E736-R739 WeakPolarHBondContact O-CB 3.35Å; E736-R739 PolarHBondContact O-N 2.95Å; E737-R739 VanDerWaalsContact C-N 3.32Å; E737-R739 PolarHBondContact O-N 2.84Å; R739-I742 PolarHBondContact O-N 3.14Å; R739-L743 HydrophobicContact CG-CD1 4.12Å; R739-L743 VanDerWaalsContact O-CG 3.31Å; R739-L743 WeakPolarHBondContact O-CG 3.34Å; R739-L743 PolarHBondContact O-N 2.9Å
740R91.8Very high91.4Very high158 Ų158106 Ų10660%0.59651%0.512SS*.Hα-helixtrans-61-43.9176.2-71.7173.8-179.2-147.96.3111.1E736 E737 L743 A744E736-R740 WeakPolarHBondContact O-CG 3.07Å; E736-R740 PolarHBondContact O-N 2.85Å; E736-R740 IonicContact OE1-CZ 3.16Å; E736-R740 IonicContact OE1-NE 3.15Å; E736-R740 PolarHBondContact OE1-NE 2.82Å; E736-R740 IonicContact OE1-NH2 3.47Å; E736-R740 PolarHBondContact OE1-NH2 3.13Å; E737-R740 PolarHBondContact O-N 2.87Å; R740-L743 PolarHBondContact O-N 2.86Å; R740-A744 WeakPolarHBondContact O-CB 3.27Å; R740-A744 PolarHBondContact O-N 2.83Å
741N93.9Very high91.2Very high100 Ų100103.7 Ų103.754%0.53551%0.509SS..Hα-helixtrans-64.6-41.4177.8-69.4-21.6000112.6E737 Q738 A744 Q745E737-N741 WeakPolarHBondContact O-CB 3.44Å; E737-N741 PolarHBondContact O-N 3.18Å; E737-N741 PolarHBondContact O-ND2 3.46Å; Q738-N741 PolarHBondContact O-N 3.45Å; N741-A744 PolarHBondContact O-N 2.97Å; N741-Q745 WeakPolarHBondContact O-CG 3.48Å; N741-Q745 PolarHBondContact O-N 3.47Å; N741-Q745 VanDerWaalsContact O-N 3.08Å
742I92.1Very high91.1Very high103 Ų103102 Ų10253%0.52850%0.498SS..Hα-helixtrans-64-44.7175-68.8163.2000110.8Q738 R739 Q745 E746Q738-I742 WeakPolarHBondContact O-CD1 3.45Å; Q738-I742 VanDerWaalsContact O-CG1 3.28Å; Q738-I742 WeakPolarHBondContact O-CG1 3.43Å; Q738-I742 PolarHBondContact O-N 2.83Å; R739-I742 PolarHBondContact O-N 3.14Å; I742-Q745 PolarHBondContact O-N 2.8Å; I742-E746 PolarHBondContact O-N 2.9Å
743L89.8Confident90.8Very high92 Ų92102.7 Ų102.748%0.48250%0.498SS..Hα-helixtrans-61.4-45.4177.5-72.7169.4000111.7R739 R740 Q745 E746 E747R739-L743 HydrophobicContact CG-CD1 4.12Å; R739-L743 VanDerWaalsContact O-CG 3.31Å; R739-L743 WeakPolarHBondContact O-CG 3.34Å; R739-L743 PolarHBondContact O-N 2.9Å; R740-L743 PolarHBondContact O-N 2.86Å; L743-Q745 VanDerWaalsContact C-N 3.32Å; L743-Q745 PolarHBondContact O-N 2.91Å; L743-E746 PolarHBondContact O-N 3.18Å; L743-E747 WeakPolarHBondContact O-CG 3.34Å; L743-E747 PolarHBondContact O-N 3.02Å
744A91.8Very high90.6Very high54 Ų54106 Ų10645%0.44651%0.506SS..Hα-helixtrans-59.8-40.1176.500000112.5R740 N741 E747 E748R740-A744 WeakPolarHBondContact O-CB 3.27Å; R740-A744 PolarHBondContact O-N 2.83Å; N741-A744 PolarHBondContact O-N 2.97Å; A744-E747 PolarHBondContact O-N 3.37Å; A744-E748 WeakPolarHBondContact O-CB 3.23Å; A744-E748 PolarHBondContact O-N 3.31Å
745Q90.8Very high90.4Very high111 Ų111105.2 Ų105.252%0.51951%0.51SS..Hα-helixtrans-66.2-37.1175.9-731779.900113N741 I742 L743 K749N741-Q745 WeakPolarHBondContact O-CG 3.48Å; N741-Q745 PolarHBondContact O-N 3.47Å; N741-Q745 VanDerWaalsContact O-N 3.08Å; I742-Q745 PolarHBondContact O-N 2.8Å; L743-Q745 VanDerWaalsContact C-N 3.32Å; L743-Q745 PolarHBondContact O-N 2.91Å; Q745-K749 WeakPolarHBondContact O-CD 3.33Å; Q745-K749 VanDerWaalsContact O-CG 3.23Å; Q745-K749 WeakPolarHBondContact O-CG 3.4Å; Q745-K749 PolarHBondContact O-N 2.93Å; Q745-K749 VanDerWaalsContact O-N 3.12Å
746E88.1Confident90.3Very high85 Ų85109.9 Ų109.940%0.39752%0.521SS..Hα-helixtrans-74.2-36.7175.1-67-52.7135.800112.5I742 L743 E748 K749 L750I742-E746 PolarHBondContact O-N 2.9Å; L743-E746 PolarHBondContact O-N 3.18Å; E746-E748 VanDerWaalsContact C-N 3.35Å; E746-K749 PolarHBondContact O-N 3.49Å; E746-K749 IonicContact OE1-NZ 2.7Å; E746-K749 PolarHBondContact OE1-NZ 3.13Å; E746-L750 WeakPolarHBondContact O-CB 3.38Å; E746-L750 WeakPolarHBondContact O-CG 3.38Å; E746-L750 PolarHBondContact O-N 3.02Å
747E88Confident90.1Very high140 Ų140110 Ų11065%0.65453%0.525SS*.Hα-helixtrans-62.8-40.4172-74.3-170.2155.200111.8L743 A744 L750 A751L743-E747 WeakPolarHBondContact O-CG 3.34Å; L743-E747 PolarHBondContact O-N 3.02Å; A744-E747 PolarHBondContact O-N 3.37Å; E747-L750 PolarHBondContact O-N 2.97Å; E747-A751 WeakPolarHBondContact O-CB 3.47Å; E747-A751 PolarHBondContact O-N 2.98Å
748E91Very high89.8Confident114 Ų114107.8 Ų107.853%0.53352%0.519SS..Hα-helixtrans-64.1-45.8174.9-157.9-157.9143.600111.4A744 E746 L750 A751 Q752A744-E748 WeakPolarHBondContact O-CB 3.23Å; A744-E748 PolarHBondContact O-N 3.31Å; E746-E748 VanDerWaalsContact C-N 3.35Å; E748-L750 VanDerWaalsContact C-N 3.32Å; E748-L750 PolarHBondContact O-N 2.81Å; E748-A751 WeakPolarHBondContact O-CB 3.43Å; E748-A751 PolarHBondContact O-N 3.33Å; E748-A751 VanDerWaalsContact O-N 3.16Å; E748-Q752 WeakPolarHBondContact O-CG 3.49Å; E748-Q752 PolarHBondContact O-N 2.72Å; E748-Q752 PolarHBondContact OE1-NE2 3.19Å
749K91.4Very high89.6Confident91 Ų91104.2 Ų104.240%0.39651%0.512SS..Hα-helixtrans-57.7-43.9174.3-70.7164.9-162.2172.80111.6Q745 E746 Q752 Q753Q745-K749 WeakPolarHBondContact O-CD 3.33Å; Q745-K749 VanDerWaalsContact O-CG 3.23Å; Q745-K749 WeakPolarHBondContact O-CG 3.4Å; Q745-K749 PolarHBondContact O-N 2.93Å; Q745-K749 VanDerWaalsContact O-N 3.12Å; E746-K749 PolarHBondContact O-N 3.49Å; E746-K749 IonicContact OE1-NZ 2.7Å; E746-K749 PolarHBondContact OE1-NZ 3.13Å; K749-Q752 PolarHBondContact O-N 3.08Å; K749-Q753 VanDerWaalsContact O-CG 3.31Å; K749-Q753 WeakPolarHBondContact O-CG 3.42Å; K749-Q753 PolarHBondContact O-N 3.23Å
750L86.9Confident89.3Confident82 Ų82102.1 Ų102.143%0.42951%0.511SS..Hα-helixtrans-65.3-38.2176.4-76.1165.7000112.1E746 E747 E748 Q753 R754E746-L750 WeakPolarHBondContact O-CB 3.38Å; E746-L750 WeakPolarHBondContact O-CG 3.38Å; E746-L750 PolarHBondContact O-N 3.02Å; E747-L750 PolarHBondContact O-N 2.97Å; E748-L750 VanDerWaalsContact C-N 3.32Å; E748-L750 PolarHBondContact O-N 2.81Å; L750-Q753 PolarHBondContact O-N 2.93Å; L750-R754 WeakPolarHBondContact O-CB 3.49Å; L750-R754 VanDerWaalsContact O-CG 3.24Å; L750-R754 WeakPolarHBondContact O-CG 3.37Å; L750-R754 PolarHBondContact O-N 3.47Å
751A88.9Confident88.9Confident48 Ų48101.4 Ų101.440%0.39751%0.512SS..Hα-helixtrans-63.8-46.9173.200000111.4E747 E748 Q753 R754 T755E747-A751 WeakPolarHBondContact O-CB 3.47Å; E747-A751 PolarHBondContact O-N 2.98Å; E748-A751 WeakPolarHBondContact O-CB 3.43Å; E748-A751 PolarHBondContact O-N 3.33Å; E748-A751 VanDerWaalsContact O-N 3.16Å; A751-Q753 VanDerWaalsContact C-N 3.3Å; A751-Q753 PolarHBondContact O-N 2.92Å; A751-R754 PolarHBondContact O-N 3.4Å; A751-R754 VanDerWaalsContact O-N 3.15Å; A751-T755 PolarHBondContact O-N 2.93Å; A751-T755 PolarHBondContact O-OG1 3.14Å
752Q90.3Very high88.6Confident85 Ų85105.6 Ų105.640%0.39752%0.52SS..Hα-helixtrans-61.9-33.6175.3-68.1-177.421.300112.9E748 K749 T755 K756E748-Q752 WeakPolarHBondContact O-CG 3.49Å; E748-Q752 PolarHBondContact O-N 2.72Å; E748-Q752 PolarHBondContact OE1-NE2 3.19Å; K749-Q752 PolarHBondContact O-N 3.08Å; Q752-T755 WeakPolarHBondContact CA-OG1 3.22Å; Q752-T755 PolarHBondContact O-OG1 3.23Å; Q752-T755 VanDerWaalsContact O-OG1 3.04Å; Q752-K756 WeakPolarHBondContact O-CD 3.35Å; Q752-K756 VanDerWaalsContact O-CG 3.26Å; Q752-K756 WeakPolarHBondContact O-CG 3.45Å; Q752-K756 PolarHBondContact O-N 3.48Å
753Q86.9Confident88.3Confident121 Ų121105.7 Ų105.757%0.56552%0.518SS*.Hα-helixtrans-70.5-41.9172.4-73.4175.313.600111.7K749 L750 A751 K756 L757K749-Q753 VanDerWaalsContact O-CG 3.31Å; K749-Q753 WeakPolarHBondContact O-CG 3.42Å; K749-Q753 PolarHBondContact O-N 3.23Å; L750-Q753 PolarHBondContact O-N 2.93Å; A751-Q753 VanDerWaalsContact C-N 3.3Å; A751-Q753 PolarHBondContact O-N 2.92Å; Q753-K756 PolarHBondContact O-N 2.82Å; Q753-L757 WeakPolarHBondContact O-CB 3.35Å; Q753-L757 PolarHBondContact O-N 3.47Å
754R89.4Confident88Confident181 Ų181106.7 Ų106.768%0.68352%0.524SS*.Hα-helixtrans-64.1-38.9176.8-73.6169.1179.6-1741.6112.3L750 A751 T758L750-R754 WeakPolarHBondContact O-CB 3.49Å; L750-R754 VanDerWaalsContact O-CG 3.24Å; L750-R754 WeakPolarHBondContact O-CG 3.37Å; L750-R754 PolarHBondContact O-N 3.47Å; A751-R754 PolarHBondContact O-N 3.4Å; A751-R754 VanDerWaalsContact O-N 3.15Å; R754-T758 WeakPolarHBondContact O-CB 3.33Å; R754-T758 WeakPolarHBondContact O-CG2 3.31Å; R754-T758 PolarHBondContact O-N 3.49Å; R754-T758 PolarHBondContact O-OG1 3.07Å
755T89.3Confident87.6Confident88 Ų88110 Ų11054%0.5453%0.528SS..Hα-helixtrans-67.6-44175.2550000111.8A751 Q752 L757 T758 A759A751-T755 PolarHBondContact O-N 2.93Å; A751-T755 PolarHBondContact O-OG1 3.14Å; Q752-T755 WeakPolarHBondContact CA-OG1 3.22Å; Q752-T755 PolarHBondContact O-OG1 3.23Å; Q752-T755 VanDerWaalsContact O-OG1 3.04Å; T755-L757 PolarHBondContact O-N 2.86Å; T755-T758 WeakPolarHBondContact CA-OG1 3.45Å; T755-T758 PolarHBondContact O-N 3.17Å; T755-T758 PolarHBondContact O-OG1 3Å; T755-T758 VanDerWaalsContact O-OG1 3.06Å; T755-A759 WeakPolarHBondContact O-CB 3.23Å; T755-A759 PolarHBondContact O-N 3.23Å
756K88.7Confident87.4Confident145 Ų145108.3 Ų108.363%0.6353%0.525SS*.Hα-helixtrans-58.5-46.4173-72.7168.4-177.11710112.3Q752 Q753 A759 M760Q752-K756 WeakPolarHBondContact O-CD 3.35Å; Q752-K756 VanDerWaalsContact O-CG 3.26Å; Q752-K756 WeakPolarHBondContact O-CG 3.45Å; Q752-K756 PolarHBondContact O-N 3.48Å; Q753-K756 PolarHBondContact O-N 2.82Å; K756-A759 PolarHBondContact O-N 2.71Å; K756-M760 PolarHBondContact O-N 2.92Å
757L86.8Confident87.2Confident97 Ų97110 Ų11051%0.50853%0.531SS..Hα-helixtrans-68.7-35-179.3-171.7147.2000112.7Q753 T755 K761Q753-L757 WeakPolarHBondContact O-CB 3.35Å; Q753-L757 PolarHBondContact O-N 3.47Å; T755-L757 PolarHBondContact O-N 2.86Å; L757-K761 HydrophobicContact CD2-CD 3.94Å; L757-K761 HydrophobicContact CD2-CG 4.45Å; L757-K761 WeakPolarHBondContact O-CG 3.49Å; L757-K761 PolarHBondContact O-N 3.35Å
758T86.8Confident87Confident67 Ų67108.1 Ų108.141%0.41152%0.522SS..Hα-helixtrans-73.6-33.917448.60000112.6R754 T755 K761 R762R754-T758 WeakPolarHBondContact O-CB 3.33Å; R754-T758 WeakPolarHBondContact O-CG2 3.31Å; R754-T758 PolarHBondContact O-N 3.49Å; R754-T758 PolarHBondContact O-OG1 3.07Å; T755-T758 WeakPolarHBondContact CA-OG1 3.45Å; T755-T758 PolarHBondContact O-N 3.17Å; T755-T758 PolarHBondContact O-OG1 3Å; T755-T758 VanDerWaalsContact O-OG1 3.06Å; T758-K761 PolarHBondContact O-N 2.84Å; T758-R762 VanDerWaalsContact O-CG 3.29Å; T758-R762 WeakPolarHBondContact O-CG 3.27Å; T758-R762 PolarHBondContact O-N 3.13Å
759A87.6Confident86.6Confident54 Ų54107.4 Ų107.445%0.44652%0.522SS..Hα-helixtrans-62.1-48.517000000111.5T755 K756 K761 R762 E763T755-A759 WeakPolarHBondContact O-CB 3.23Å; T755-A759 PolarHBondContact O-N 3.23Å; K756-A759 PolarHBondContact O-N 2.71Å; A759-K761 VanDerWaalsContact C-N 3.35Å; A759-K761 PolarHBondContact O-N 3.42Å; A759-R762 WeakPolarHBondContact O-CB 3.39Å; A759-R762 PolarHBondContact O-N 3.49Å; A759-R762 VanDerWaalsContact O-N 3.1Å; A759-E763 PolarHBondContact O-N 2.71Å
760M85.9Confident86.1Confident128 Ų128109.3 Ų109.363%0.63153%0.532SS*.Hα-helixtrans-59.3-42.6176.3-170.5-175.5-174.400112.2K756 R762 E763 L764K756-M760 PolarHBondContact O-N 2.92Å; M760-R762 PolarHBondContact O-N 3.19Å; M760-E763 PolarHBondContact O-N 2.9Å; M760-L764 WeakPolarHBondContact O-CB 3.41Å; M760-L764 PolarHBondContact O-N 3.22Å
761K83.1Confident85.9Confident143 Ų143111.2 Ų111.262%0.62254%0.542SS*.Hα-helixtrans-63-37.3174.2-79.1-176.8174.4-179.60113.1L757 T758 A759 K765L757-K761 HydrophobicContact CD2-CD 3.94Å; L757-K761 HydrophobicContact CD2-CG 4.45Å; L757-K761 WeakPolarHBondContact O-CG 3.49Å; L757-K761 PolarHBondContact O-N 3.35Å; T758-K761 PolarHBondContact O-N 2.84Å; A759-K761 VanDerWaalsContact C-N 3.35Å; A759-K761 PolarHBondContact O-N 3.42Å; K761-K765 WeakPolarHBondContact O-CB 3.44Å; K761-K765 PolarHBondContact O-N 3.03Å; K761-K765 VanDerWaalsContact O-N 3.11Å
762R87.1Confident85.6Confident188 Ų188113.9 Ų113.971%0.70955%0.549SS*.Hα-helixtrans-64.7-47.8174.7-74.4168.9178.3-174.5-0.5110.9T758 A759 M760 L764 K765 V766T758-R762 VanDerWaalsContact O-CG 3.29Å; T758-R762 WeakPolarHBondContact O-CG 3.27Å; T758-R762 PolarHBondContact O-N 3.13Å; A759-R762 WeakPolarHBondContact O-CB 3.39Å; A759-R762 PolarHBondContact O-N 3.49Å; A759-R762 VanDerWaalsContact O-N 3.1Å; M760-R762 PolarHBondContact O-N 3.19Å; R762-L764 PolarHBondContact O-N 3.44Å; R762-K765 PolarHBondContact O-N 3.3Å; R762-V766 WeakPolarHBondContact O-CG2 3.39Å; R762-V766 PolarHBondContact O-N 2.93Å
763E84.9Confident85.2Confident105 Ų105112.9 Ų112.949%0.49155%0.546SS..Hα-helixtrans-60.2-45179.1-166.4-158.313600112.2A759 M760 K765 V766 K767A759-E763 PolarHBondContact O-N 2.71Å; M760-E763 PolarHBondContact O-N 2.9Å; E763-K765 VanDerWaalsContact C-N 3.34Å; E763-K765 PolarHBondContact O-N 2.98Å; E763-V766 PolarHBondContact O-N 2.98Å; E763-K767 PolarHBondContact O-N 2.69Å; E763-K767 WeakPolarHBondContact OE1-CE 3.32Å; E763-K767 IonicContact OE1-NZ 2.88Å; E763-K767 PolarHBondContact OE1-NZ 2.86Å
764L84Confident85Confident113 Ų113109 Ų10959%0.59254%0.535SS*.Hα-helixtrans-63.2-40.8178.4-149.9164.4000111M760 R762 K767 E768M760-L764 WeakPolarHBondContact O-CB 3.41Å; M760-L764 PolarHBondContact O-N 3.22Å; R762-L764 PolarHBondContact O-N 3.44Å; L764-K767 WeakPolarHBondContact O-CB 3.41Å; L764-K767 PolarHBondContact O-N 3.01Å; L764-E768 PolarHBondContact O-N 2.95Å
765K83.8Confident84.6Confident124 Ų124104.2 Ų104.254%0.53953%0.526SS..Hα-helixtrans-70.5-30.5175.3-169.9148.1-169160.90113.6K761 R762 E763 L769K761-K765 WeakPolarHBondContact O-CB 3.44Å; K761-K765 PolarHBondContact O-N 3.03Å; K761-K765 VanDerWaalsContact O-N 3.11Å; R762-K765 PolarHBondContact O-N 3.3Å; E763-K765 VanDerWaalsContact C-N 3.34Å; E763-K765 PolarHBondContact O-N 2.98Å; K765-L769 HydrophobicContact CG-CD1 4.48Å; K765-L769 VanDerWaalsContact O-CG 3.29Å; K765-L769 WeakPolarHBondContact O-CG 3.45Å; K765-L769 PolarHBondContact O-N 3.42Å
766V86.3Confident84.3Confident75 Ų75108.2 Ų108.246%0.45553%0.531SS..Hα-helixtrans-65.9-40.4170.31690000110.6R762 E763 L769 H770R762-V766 WeakPolarHBondContact O-CG2 3.39Å; R762-V766 PolarHBondContact O-N 2.93Å; E763-V766 PolarHBondContact O-N 2.98Å; V766-L769 PolarHBondContact O-N 3.03Å; V766-H770 PolarHBondContact O-N 3.25Å; V766-H770 PolarHBondContact O-ND1 3.45Å
767K84.3Confident83.9Confident121 Ų121109 Ų10953%0.52653%0.53SS..Hα-helixtrans-65-40.7175-74168.7169.4172.30112.6E763 L764 H770 L771E763-K767 PolarHBondContact O-N 2.69Å; E763-K767 WeakPolarHBondContact OE1-CE 3.32Å; E763-K767 IonicContact OE1-NZ 2.88Å; E763-K767 PolarHBondContact OE1-NZ 2.86Å; L764-K767 WeakPolarHBondContact O-CB 3.41Å; L764-K767 PolarHBondContact O-N 3.01Å; K767-H770 PolarHBondContact O-N 3.15Å; K767-L771 PolarHBondContact O-N 3.28Å; K767-L771 VanDerWaalsContact O-N 3.13Å
768E82.9Confident83.8Confident101 Ų101113.6 Ų113.647%0.47254%0.54SS..Hα-helixtrans-57.8-49171.2178.8-177.3-141.800111.7L764 H770 L771 L772L764-E768 PolarHBondContact O-N 2.95Å; E768-H770 VanDerWaalsContact C-N 3.35Å; E768-H770 PolarHBondContact O-N 3.12Å; E768-L771 WeakPolarHBondContact O-CB 3.47Å; E768-L771 PolarHBondContact O-N 2.89Å; E768-L772 HydrophobicContact CG-CD1 4.37Å; E768-L772 PolarHBondContact O-N 3.07Å; E768-L772 VanDerWaalsContact O-N 3.09Å
769L82.9Confident83.6Confident99 Ų99116.8 Ų116.852%0.51855%0.549SS..Hα-helixtrans-63.7-36.3177.9-72168000113K765 V766 L772 D773K765-L769 HydrophobicContact CG-CD1 4.48Å; K765-L769 VanDerWaalsContact O-CG 3.29Å; K765-L769 WeakPolarHBondContact O-CG 3.45Å; K765-L769 PolarHBondContact O-N 3.42Å; V766-L769 PolarHBondContact O-N 3.03Å; L769-L772 PolarHBondContact O-N 3.28Å; L769-D773 WeakPolarHBondContact O-CB 3.38Å; L769-D773 PolarHBondContact O-N 2.92Å
770H80.8Confident83.3Confident130 Ų130118 Ų11860%0.60255%0.548SS*.Hα-helixtrans-65.1-37174.4-81.368.1000112.4V766 K767 E768 A774V766-H770 PolarHBondContact O-N 3.25Å; V766-H770 PolarHBondContact O-ND1 3.45Å; K767-H770 PolarHBondContact O-N 3.15Å; E768-H770 VanDerWaalsContact C-N 3.35Å; E768-H770 PolarHBondContact O-N 3.12Å; H770-A774 WeakPolarHBondContact O-CB 3.32Å; H770-A774 PolarHBondContact O-N 3.49Å
771L83.9Confident83.1Confident122 Ų122118 Ų11864%0.63954%0.544SS*.Hα-helixtrans-65.1-43.5174.1-89.1160.8000111.8K767 E768 A774 T775K767-L771 PolarHBondContact O-N 3.28Å; K767-L771 VanDerWaalsContact O-N 3.13Å; E768-L771 WeakPolarHBondContact O-CB 3.47Å; E768-L771 PolarHBondContact O-N 2.89Å; L771-A774 PolarHBondContact O-N 3Å; L771-T775 PolarHBondContact O-N 3.05Å; L771-T775 PolarHBondContact O-OG1 3.48Å
772L82.1Confident83Confident105 Ų105116.7 Ų116.755%0.5554%0.54SS..Hα-helixtrans-67.7-38.6178.4-68171.3000112.9E768 L769 T775 R776E768-L772 HydrophobicContact CG-CD1 4.37Å; E768-L772 PolarHBondContact O-N 3.07Å; E768-L772 VanDerWaalsContact O-N 3.09Å; L769-L772 PolarHBondContact O-N 3.28Å; L772-T775 PolarHBondContact O-OG1 3.15Å; L772-R776 WeakPolarHBondContact O-CB 3.32Å; L772-R776 PolarHBondContact O-N 2.71Å
773D80.8Confident82.6Confident64 Ų64112 Ų11234%0.34253%0.526SS..Hα-helixtrans-69.1-39.6173.4-175.230.7000111.2L769 T775 R776 R777L769-D773 WeakPolarHBondContact O-CB 3.38Å; L769-D773 PolarHBondContact O-N 2.92Å; D773-T775 VanDerWaalsContact C-N 3.35Å; D773-T775 PolarHBondContact O-N 3.19Å; D773-R776 PolarHBondContact O-N 2.8Å; D773-R777 VanDerWaalsContact CG-NE 3.26Å; D773-R777 WeakPolarHBondContact O-CB 3.48Å; D773-R777 VanDerWaalsContact O-CG 3.28Å; D773-R777 WeakPolarHBondContact O-CG 3.32Å; D773-R777 PolarHBondContact O-N 2.65Å; D773-R777 IonicContact OD1-NE 3.99Å; D773-R777 PolarHBondContact OD1-NE 3.33Å; D773-R777 VanDerWaalsContact OD1-NE 3.13Å; D773-R777 IonicContact OD1-NH2 3.16Å; D773-R777 IonicContact OD2-CZ 2.76Å; D773-R777 IonicContact OD2-NE 2.67Å; D773-R777 PolarHBondContact OD2-NE 2.87Å; D773-R777 IonicContact OD2-NH2 2.75Å; D773-R777 PolarHBondContact OD2-NH2 3.46Å
774A82.9Confident82.3Confident39 Ų39112.9 Ų112.932%0.32253%0.53SS..Hα-helixtrans-62.2-36.6175.200000113.2H770 L771 R778H770-A774 WeakPolarHBondContact O-CB 3.32Å; H770-A774 PolarHBondContact O-N 3.49Å; L771-A774 PolarHBondContact O-N 3Å; A774-R778 VanDerWaalsContact O-CG 3.3Å; A774-R778 WeakPolarHBondContact O-CG 3.3Å; A774-R778 PolarHBondContact O-N 3.34Å
775T81.3Confident82.1Confident81 Ų81111.7 Ų111.750%0.49752%0.524SS..Hα-helixtrans-72.4-41.7172.855.70000111.7L771 L772 D773 R777 R778 F779L771-T775 PolarHBondContact O-N 3.05Å; L771-T775 PolarHBondContact O-OG1 3.48Å; L772-T775 PolarHBondContact O-OG1 3.15Å; D773-T775 VanDerWaalsContact C-N 3.35Å; D773-T775 PolarHBondContact O-N 3.19Å; T775-R777 PolarHBondContact O-N 3.16Å; T775-R778 PolarHBondContact O-N 2.71Å; T775-F779 PolarHBondContact O-N 2.95Å
776R83.1Confident82Confident171 Ų171110.3 Ų110.365%0.64552%0.522SS*.Hα-helixtrans-58.5-44175.7-171.3179.5-175.5178.91.6112.4L772 D773 R778 F779 L780L772-R776 WeakPolarHBondContact O-CB 3.32Å; L772-R776 PolarHBondContact O-N 2.71Å; D773-R776 PolarHBondContact O-N 2.8Å; R776-R778 PolarHBondContact O-N 3.07Å; R776-F779 PolarHBondContact O-N 2.9Å; R776-L780 HydrophobicContact CG-CD1 4.09Å; R776-L780 WeakPolarHBondContact O-CG 3.34Å; R776-L780 PolarHBondContact O-N 2.66Å
777R81.6Confident81.6Confident163 Ų163112 Ų11262%0.61553%0.525SS*.Hα-helixtrans-63.2-38.8176.6-70.5174.5-169-141.310.8112.6D773 T775 K781D773-R777 VanDerWaalsContact CG-NE 3.26Å; D773-R777 WeakPolarHBondContact O-CB 3.48Å; D773-R777 VanDerWaalsContact O-CG 3.28Å; D773-R777 WeakPolarHBondContact O-CG 3.32Å; D773-R777 PolarHBondContact O-N 2.65Å; D773-R777 IonicContact OD1-NE 3.99Å; D773-R777 PolarHBondContact OD1-NE 3.33Å; D773-R777 VanDerWaalsContact OD1-NE 3.13Å; D773-R777 IonicContact OD1-NH2 3.16Å; D773-R777 IonicContact OD2-CZ 2.76Å; D773-R777 IonicContact OD2-NE 2.67Å; D773-R777 PolarHBondContact OD2-NE 2.87Å; D773-R777 IonicContact OD2-NH2 2.75Å; D773-R777 PolarHBondContact OD2-NH2 3.46Å; T775-R777 PolarHBondContact O-N 3.16Å; R777-K781 WeakPolarHBondContact O-CB 3.47Å; R777-K781 PolarHBondContact O-N 3.21Å
778R83.4Confident81.3Confident192 Ų192109 Ų10973%0.72552%0.523SS*.Hα-helixtrans-64.5-43.3174.5-70.1171.9-165.4-164.74.1111.8A774 T775 R776 K781 H782A774-R778 VanDerWaalsContact O-CG 3.3Å; A774-R778 WeakPolarHBondContact O-CG 3.3Å; A774-R778 PolarHBondContact O-N 3.34Å; T775-R778 PolarHBondContact O-N 2.71Å; R776-R778 PolarHBondContact O-N 3.07Å; R778-K781 PolarHBondContact O-N 3.21Å; R778-H782 PolarHBondContact O-N 2.83Å
779F82.8Confident81.1Confident135 Ų135106.9 Ų106.959%0.59252%0.519SS*.Hα-helixtrans-62.8-49.3176.8179.3-92.1000112T775 R776 K781 H782 Q783T775-F779 PolarHBondContact O-N 2.95Å; R776-F779 PolarHBondContact O-N 2.9Å; F779-K781 VanDerWaalsContact C-N 3.33Å; F779-K781 PolarHBondContact O-N 3.49Å; F779-H782 PolarHBondContact O-N 2.97Å; F779-Q783 PolarHBondContact O-N 3.28Å
780L81.7Confident80.9Confident80 Ų80108.5 Ų108.542%0.41952%0.524SS..Hα-helixtrans-59.6-42.6177.3-73.6169.2000111.9R776 Q783 Q784R776-L780 HydrophobicContact CG-CD1 4.09Å; R776-L780 WeakPolarHBondContact O-CG 3.34Å; R776-L780 PolarHBondContact O-N 2.66Å; L780-Q783 PolarHBondContact O-N 3.27Å; L780-Q784 WeakPolarHBondContact O-CG 3.39Å; L780-Q784 PolarHBondContact O-N 3.28Å
781K81.1Confident80.8Confident126 Ų126106.9 Ų106.955%0.54852%0.519SS..Hα-helixtrans-61.7-46.4175.6-179170.7178.7177.20111.7R777 R778 F779 Q783 Q784 D785R777-K781 WeakPolarHBondContact O-CB 3.47Å; R777-K781 PolarHBondContact O-N 3.21Å; R778-K781 PolarHBondContact O-N 3.21Å; F779-K781 VanDerWaalsContact C-N 3.33Å; F779-K781 PolarHBondContact O-N 3.49Å; K781-Q783 PolarHBondContact O-N 3.33Å; K781-Q784 WeakPolarHBondContact O-CB 3.36Å; K781-Q784 PolarHBondContact O-N 3.4Å; K781-D785 WeakPolarHBondContact CE-OD1 3.49Å; K781-D785 WeakPolarHBondContact CE-OD2 3.24Å; K781-D785 VanDerWaalsContact O-CG 3.23Å; K781-D785 PolarHBondContact O-N 3.28Å
782H81.8Confident80.5Confident116 Ų116106.9 Ų106.954%0.53752%0.516SS..Hα-helixtrans-59.4-36.3177.9-178.348.4000112.5R778 F779 L786R778-H782 PolarHBondContact O-N 2.83Å; F779-H782 PolarHBondContact O-N 2.97Å; H782-L786 PolarHBondContact O-N 2.92Å
783Q78.4Confident80.5Confident89 Ų89110.9 Ų110.942%0.41652%0.523SS..Hα-helixtrans-67.9-38.5174.4-168.1175.87.900112.5F779 L780 K781 Q787F779-Q783 PolarHBondContact O-N 3.28Å; L780-Q783 PolarHBondContact O-N 3.27Å; K781-Q783 PolarHBondContact O-N 3.33Å; Q783-Q787 WeakPolarHBondContact O-CG 3.15Å; Q783-Q787 PolarHBondContact O-N 3.12Å; Q783-Q787 VanDerWaalsContact O-N 3.07Å
784Q77.7Confident80.6Confident125 Ų125112.2 Ų112.258%0.58453%0.53SS*.Hα-helixtrans-67-43.6173.2-71.7178.9-41.600112.2L780 K781 L786 Q787 A788L780-Q784 WeakPolarHBondContact O-CG 3.39Å; L780-Q784 PolarHBondContact O-N 3.28Å; K781-Q784 WeakPolarHBondContact O-CB 3.36Å; K781-Q784 PolarHBondContact O-N 3.4Å; Q784-L786 VanDerWaalsContact C-N 3.29Å; Q784-L786 PolarHBondContact O-N 3.35Å; Q784-Q787 PolarHBondContact O-N 2.9Å; Q784-A788 WeakPolarHBondContact O-CB 3.42Å; Q784-A788 PolarHBondContact O-N 2.76Å
785D81.2Confident80.4Confident87 Ų87114.4 Ų114.447%0.46554%0.536SS..Hα-helixtrans-60.3-39.9177.5-63.6-28.9000110.7K781 S789K781-D785 WeakPolarHBondContact CE-OD1 3.49Å; K781-D785 WeakPolarHBondContact CE-OD2 3.24Å; K781-D785 VanDerWaalsContact O-CG 3.23Å; K781-D785 PolarHBondContact O-N 3.28Å; D785-S789 PolarHBondContact O-N 3.18Å; D785-S789 VanDerWaalsContact O-N 3.09Å
786L81.8Confident80.4Confident95 Ų95115.4 Ų115.450%0.49754%0.536SS..Hα-helixtrans-61.4-51.1171.8-87.2162.9000112.3H782 Q784 A788 S789 Q790H782-L786 PolarHBondContact O-N 2.92Å; Q784-L786 VanDerWaalsContact C-N 3.29Å; Q784-L786 PolarHBondContact O-N 3.35Å; L786-A788 VanDerWaalsContact C-N 3.35Å; L786-A788 PolarHBondContact O-N 3.05Å; L786-S789 PolarHBondContact O-N 3.36Å; L786-S789 PolarHBondContact O-OG 3.13Å; L786-Q790 PolarHBondContact O-N 3.41Å; L786-Q790 VanDerWaalsContact O-N 3.11Å
787Q77.6Confident80.4Confident112 Ų112113.3 Ų113.352%0.52353%0.533SS..Hα-helixtrans-60.8-42179.2-74.9177.1-31.200112.2Q783 Q784 S789 Q790 I791Q783-Q787 WeakPolarHBondContact O-CG 3.15Å; Q783-Q787 PolarHBondContact O-N 3.12Å; Q783-Q787 VanDerWaalsContact O-N 3.07Å; Q784-Q787 PolarHBondContact O-N 2.9Å; Q787-S789 PolarHBondContact O-N 3.18Å; Q787-Q790 PolarHBondContact O-N 3.16Å; Q787-Q790 VanDerWaalsContact O-N 3.15Å; Q787-I791 WeakPolarHBondContact O-CG1 3.38Å; Q787-I791 PolarHBondContact O-N 3.37Å
788A78.6Confident80.3Confident57 Ų57110.2 Ų110.247%0.47153%0.527SS..Hα-helixtrans-60.7-42.9175.300000112.1Q784 L786 Q790 I791 Q792Q784-A788 WeakPolarHBondContact O-CB 3.42Å; Q784-A788 PolarHBondContact O-N 2.76Å; L786-A788 VanDerWaalsContact C-N 3.35Å; L786-A788 PolarHBondContact O-N 3.05Å; A788-Q790 PolarHBondContact O-N 2.93Å; A788-I791 PolarHBondContact O-N 2.93Å; A788-Q792 WeakPolarHBondContact O-CB 3.3Å; A788-Q792 PolarHBondContact O-N 3Å
789S77.6Confident79.9Confident57 Ų57103.6 Ų103.640%0.39951%0.511SS..Hα-helixtrans-64.4-27.8176.178.80000113.5D785 L786 Q787 R793D785-S789 PolarHBondContact O-N 3.18Å; D785-S789 VanDerWaalsContact O-N 3.09Å; L786-S789 PolarHBondContact O-N 3.36Å; L786-S789 PolarHBondContact O-OG 3.13Å; Q787-S789 PolarHBondContact O-N 3.18Å; S789-R793 PolarHBondContact O-N 2.65Å
790Q78.9Confident79.9Confident132 Ų132105.5 Ų105.562%0.61751%0.514SS*.Hα-helixtrans-82.2-37.8178.8-168.4165.6-6.100111.9L786 Q787 A788 R793 L794L786-Q790 PolarHBondContact O-N 3.41Å; L786-Q790 VanDerWaalsContact O-N 3.11Å; Q787-Q790 PolarHBondContact O-N 3.16Å; Q787-Q790 VanDerWaalsContact O-N 3.15Å; A788-Q790 PolarHBondContact O-N 2.93Å; Q790-R793 PolarHBondContact O-N 3.46Å; Q790-L794 WeakPolarHBondContact O-CG 3.35Å; Q790-L794 PolarHBondContact O-N 3.35Å
791I79.1Confident79.9Confident97 Ų97107.6 Ų107.650%0.49752%0.52SS..Hα-helixtrans-60.2-48.3169.2-67.3164.7000109.9Q787 A788 R793 L794 D795Q787-I791 WeakPolarHBondContact O-CG1 3.38Å; Q787-I791 PolarHBondContact O-N 3.37Å; A788-I791 PolarHBondContact O-N 2.93Å; I791-R793 PolarHBondContact O-N 3.31Å; I791-R793 VanDerWaalsContact O-N 3.14Å; I791-L794 WeakPolarHBondContact O-CA 3.28Å; I791-L794 WeakPolarHBondContact O-CB 3.32Å; I791-L794 PolarHBondContact O-N 3.19Å; I791-D795 PolarHBondContact O-N 2.83Å
792Q77.8Confident79.7Confident121 Ų121107.1 Ų107.157%0.56552%0.521SS*.Hα-helixtrans-60.1-28.9-179.8-167.7179.328.600113.6A788 Q796A788-Q792 WeakPolarHBondContact O-CB 3.3Å; A788-Q792 PolarHBondContact O-N 3Å; Q792-Q796 VanDerWaalsContact O-CG 3.29Å; Q792-Q796 WeakPolarHBondContact O-CG 3.41Å; Q792-Q796 PolarHBondContact O-N 2.9Å
793R82.3Confident79.6Confident189 Ų189105.5 Ų105.571%0.71352%0.516SS*.Hα-helixtrans-70.5-43.6170.8-78.6-178.6174.2-175.3-0.9112.3S789 Q790 I791 Q796 E797S789-R793 PolarHBondContact O-N 2.65Å; Q790-R793 PolarHBondContact O-N 3.46Å; I791-R793 PolarHBondContact O-N 3.31Å; I791-R793 VanDerWaalsContact O-N 3.14Å; R793-Q796 PolarHBondContact O-N 2.93Å; R793-E797 PolarHBondContact O-N 3.32Å
794L81.6Confident79.6Confident93 Ų93105.2 Ų105.249%0.48752%0.515SS..Hα-helixtrans-64.1-41.1177.8-66.7168.3000111Q790 I791 Q796 E797 I798Q790-L794 WeakPolarHBondContact O-CG 3.35Å; Q790-L794 PolarHBondContact O-N 3.35Å; I791-L794 WeakPolarHBondContact O-CA 3.28Å; I791-L794 WeakPolarHBondContact O-CB 3.32Å; I791-L794 PolarHBondContact O-N 3.19Å; L794-Q796 VanDerWaalsContact C-N 3.33Å; L794-Q796 PolarHBondContact O-N 2.93Å; L794-E797 PolarHBondContact O-N 2.85Å; L794-E797 VanDerWaalsContact O-N 3.14Å; L794-I798 WeakPolarHBondContact O-CB 3.44Å; L794-I798 VanDerWaalsContact O-CG1 3.25Å; L794-I798 WeakPolarHBondContact O-CG1 3.43Å; L794-I798 PolarHBondContact O-N 3.35Å
795D80.4Confident79.7Confident84 Ų84107.9 Ų107.945%0.44952%0.52SS..Hα-helixtrans-60.7-40.7175.2-65.3-31.5000112.2I791 E797 S799I791-D795 PolarHBondContact O-N 2.83Å; D795-E797 VanDerWaalsContact C-N 3.33Å; D795-S799 WeakPolarHBondContact O-CB 3.48Å; D795-S799 PolarHBondContact O-N 2.77Å; D795-S799 PolarHBondContact O-OG 3.02Å
796Q81Confident79.6Confident103 Ų103110.4 Ų110.448%0.48153%0.528SS..Hα-helixtrans-66.8-33.6175.1-73.7173.611.500112.6Q792 R793 L794 R800Q792-Q796 VanDerWaalsContact O-CG 3.29Å; Q792-Q796 WeakPolarHBondContact O-CG 3.41Å; Q792-Q796 PolarHBondContact O-N 2.9Å; R793-Q796 PolarHBondContact O-N 2.93Å; L794-Q796 VanDerWaalsContact C-N 3.33Å; L794-Q796 PolarHBondContact O-N 2.93Å; Q796-R800 VanDerWaalsContact O-CG 3.31Å; Q796-R800 WeakPolarHBondContact O-CG 3.39Å; Q796-R800 PolarHBondContact O-N 3.12Å
797E82.4Confident79.4Confident127 Ų127112.7 Ų112.759%0.59354%0.537SS*.Hα-helixtrans-77.2-36.9177.9-168.9153.5-140.200112R793 L794 D795 K801R793-E797 PolarHBondContact O-N 3.32Å; L794-E797 PolarHBondContact O-N 2.85Å; L794-E797 VanDerWaalsContact O-N 3.14Å; D795-E797 VanDerWaalsContact C-N 3.33Å; E797-K801 WeakPolarHBondContact O-CG 3.33Å; E797-K801 PolarHBondContact O-N 3.07Å; E797-K801 VanDerWaalsContact O-N 3.16Å
798I78.6Confident79.5Confident97 Ų97112.2 Ų112.250%0.49753%0.534SS..Hα-helixtrans-63.4-47.3170.2-69.6163.7000110.4L794 R800 K801 M802L794-I798 WeakPolarHBondContact O-CB 3.44Å; L794-I798 VanDerWaalsContact O-CG1 3.25Å; L794-I798 WeakPolarHBondContact O-CG1 3.43Å; L794-I798 PolarHBondContact O-N 3.35Å; I798-R800 PolarHBondContact O-N 3.08Å; I798-K801 CarbonylContact O-C 3.53Å; I798-K801 WeakPolarHBondContact O-CA 3.27Å; I798-K801 WeakPolarHBondContact O-CB 3.34Å; I798-K801 PolarHBondContact O-N 2.76Å; I798-M802 HydrophobicContact CG2-CE 4.5Å; I798-M802 HydrophobicContact CG2-CG 4.5Å; I798-M802 PolarHBondContact O-N 3.49Å
799S75.8Confident79.2Confident53 Ų53113.5 Ų113.537%0.37154%0.536SS..Hα-helixtrans-56.7-51.2178.4-58.20000111.1D795 K801 M802 D803D795-S799 WeakPolarHBondContact O-CB 3.48Å; D795-S799 PolarHBondContact O-N 2.77Å; D795-S799 PolarHBondContact O-OG 3.02Å; S799-K801 PolarHBondContact O-N 2.96Å; S799-K801 VanDerWaalsContact O-N 3.12Å; S799-M802 WeakPolarHBondContact O-CA 3.43Å; S799-M802 PolarHBondContact O-N 3.29Å; S799-D803 PolarHBondContact O-N 2.91Å
800R82.2Confident79.2Confident176 Ų176113.1 Ų113.166%0.66454%0.537SS*.Hα-helixtrans-56.5-31.3174.9-73.4170.9178.2179.80.7113.5Q796 I798 Q804Q796-R800 VanDerWaalsContact O-CG 3.31Å; Q796-R800 WeakPolarHBondContact O-CG 3.39Å; Q796-R800 PolarHBondContact O-N 3.12Å; I798-R800 PolarHBondContact O-N 3.08Å; R800-Q804 WeakPolarHBondContact O-CB 3.35Å; R800-Q804 PolarHBondContact O-N 3.41Å; R800-Q804 VanDerWaalsContact O-N 3.15Å
801K82.2Confident79Confident123 Ų123109.5 Ų109.554%0.53553%0.53SS..Hα-helixtrans-80.1-26.5176.4-76.3-72.2166.2-161.50113.3E797 I798 S799 R805E797-K801 WeakPolarHBondContact O-CG 3.33Å; E797-K801 PolarHBondContact O-N 3.07Å; E797-K801 VanDerWaalsContact O-N 3.16Å; I798-K801 CarbonylContact O-C 3.53Å; I798-K801 WeakPolarHBondContact O-CA 3.27Å; I798-K801 WeakPolarHBondContact O-CB 3.34Å; I798-K801 PolarHBondContact O-N 2.76Å; S799-K801 PolarHBondContact O-N 2.96Å; S799-K801 VanDerWaalsContact O-N 3.12Å; K801-R805 WeakPolarHBondContact O-CB 3.25Å; K801-R805 WeakPolarHBondContact O-CG 3.43Å; K801-R805 PolarHBondContact O-N 2.67Å
802M77.1Confident78.9Confident116 Ų116107.3 Ų107.357%0.57153%0.526SS*.Hα-helixtrans-72.9-47.1168-64.4-164.8-58.500110.9I798 S799 Q804 R805 E806I798-M802 HydrophobicContact CG2-CE 4.5Å; I798-M802 HydrophobicContact CG2-CG 4.5Å; I798-M802 PolarHBondContact O-N 3.49Å; S799-M802 WeakPolarHBondContact O-CA 3.43Å; S799-M802 PolarHBondContact O-N 3.29Å; M802-Q804 VanDerWaalsContact C-N 3.25Å; M802-Q804 PolarHBondContact O-N 2.92Å; M802-R805 WeakPolarHBondContact O-CB 3.48Å; M802-R805 PolarHBondContact O-N 2.86Å; M802-E806 PolarHBondContact O-N 2.88Å
803D79.5Confident78.9Confident83 Ų83105.3 Ų105.344%0.44452%0.522SS..Hα-helixtrans-54.2-43.6175.9-54.4-28.5000111.3S799 E806 Q807S799-D803 PolarHBondContact O-N 2.91Å; D803-E806 PolarHBondContact O-N 3.26Å; D803-Q807 WeakPolarHBondContact O-CG 3.37Å; D803-Q807 PolarHBondContact O-N 2.95Å; D803-Q807 VanDerWaalsContact O-N 3.13Å
804Q79.3Confident78.6Confident83 Ų83102.4 Ų102.439%0.38852%0.516SS..Hα-helixtrans-64-43.9176.1-177.4175.53.600112.1R800 M802 Q807 E808R800-Q804 WeakPolarHBondContact O-CB 3.35Å; R800-Q804 PolarHBondContact O-N 3.41Å; R800-Q804 VanDerWaalsContact O-N 3.15Å; M802-Q804 VanDerWaalsContact C-N 3.25Å; M802-Q804 PolarHBondContact O-N 2.92Å; Q804-Q807 PolarHBondContact O-N 3.41Å; Q804-E808 WeakPolarHBondContact CG-OE1 3.41Å; Q804-E808 PolarHBondContact NE2-OE1 2.9Å; Q804-E808 WeakPolarHBondContact O-CG 3.37Å; Q804-E808 PolarHBondContact O-N 3.39Å; Q804-E808 VanDerWaalsContact O-N 3.07Å
805R79.3Confident78.3Confident181 Ų181104.1 Ų104.168%0.68352%0.522SS*.Hα-helixtrans-65.2-37.2177.4-77.6-75.1-168.4136.82.7112.5K801 M802 E808 T809K801-R805 WeakPolarHBondContact O-CB 3.25Å; K801-R805 WeakPolarHBondContact O-CG 3.43Å; K801-R805 PolarHBondContact O-N 2.67Å; M802-R805 WeakPolarHBondContact O-CB 3.48Å; M802-R805 PolarHBondContact O-N 2.86Å; R805-E808 PolarHBondContact O-N 3.34Å; R805-T809 PolarHBondContact O-N 2.83Å; R805-T809 PolarHBondContact O-OG1 3.11Å
806E78.5Confident78Confident139 Ų139105.4 Ų105.465%0.6553%0.528SS*.Hα-helixtrans-70-35.8179.4-170167.5-149.100111.7M802 D803 T809 A810M802-E806 PolarHBondContact O-N 2.88Å; D803-E806 PolarHBondContact O-N 3.26Å; E806-T809 WeakPolarHBondContact CA-OG1 3.49Å; E806-T809 PolarHBondContact O-N 2.78Å; E806-T809 PolarHBondContact O-OG1 3.22Å; E806-A810 VanDerWaalsContact O-CB 3.29Å; E806-A810 WeakPolarHBondContact O-CB 3.24Å; E806-A810 PolarHBondContact O-N 3.25Å
807Q78.1Confident77.9Confident144 Ų144106.1 Ų106.167%0.67353%0.531SS*.Hα-helixtrans-65.9-41.4170.4-69.9171.619.600112.1D803 Q804 A810 A811D803-Q807 WeakPolarHBondContact O-CG 3.37Å; D803-Q807 PolarHBondContact O-N 2.95Å; D803-Q807 VanDerWaalsContact O-N 3.13Å; Q804-Q807 PolarHBondContact O-N 3.41Å; Q807-A810 PolarHBondContact O-N 2.92Å; Q807-A811 PolarHBondContact O-N 3.16Å; Q807-A811 VanDerWaalsContact O-N 3.13Å
808E78.8Confident77.5Confident101 Ų101103.9 Ų103.947%0.47253%0.526SS..Hα-helixtrans-62-41.6174.9-72.8165.1-17200111.9Q804 R805 A812Q804-E808 WeakPolarHBondContact CG-OE1 3.41Å; Q804-E808 PolarHBondContact NE2-OE1 2.9Å; Q804-E808 WeakPolarHBondContact O-CG 3.37Å; Q804-E808 PolarHBondContact O-N 3.39Å; Q804-E808 VanDerWaalsContact O-N 3.07Å; R805-E808 PolarHBondContact O-N 3.34Å; E808-A812 PolarHBondContact O-N 2.9Å
809T73.8Confident77.3Confident84 Ų84106.4 Ų106.452%0.51553%0.53SS..Hα-helixtrans-72.7-37.5176.453.50000113.1R805 E806 A811 A812 V813R805-T809 PolarHBondContact O-N 2.83Å; R805-T809 PolarHBondContact O-OG1 3.11Å; E806-T809 WeakPolarHBondContact CA-OG1 3.49Å; E806-T809 PolarHBondContact O-N 2.78Å; E806-T809 PolarHBondContact O-OG1 3.22Å; T809-A811 VanDerWaalsContact C-N 3.33Å; T809-A811 PolarHBondContact O-N 3.42Å; T809-A812 PolarHBondContact O-N 3.45Å; T809-V813 WeakPolarHBondContact O-CG2 3.47Å; T809-V813 PolarHBondContact O-N 2.95Å
810A76.1Confident77.2Confident50 Ų50109.8 Ų109.841%0.41354%0.54SS..Hα-helixtrans-61.8-39.8176.600000112.2E806 Q807 V813 Q814E806-A810 VanDerWaalsContact O-CB 3.29Å; E806-A810 WeakPolarHBondContact O-CB 3.24Å; E806-A810 PolarHBondContact O-N 3.25Å; Q807-A810 PolarHBondContact O-N 2.92Å; A810-V813 PolarHBondContact O-N 3.18Å; A810-Q814 WeakPolarHBondContact O-CG 3.25Å; A810-Q814 PolarHBondContact O-N 2.93Å
811A76.3Confident76.9Confident56 Ų56107.3 Ų107.346%0.46354%0.537SS..Hα-helixtrans-63.3-42.3174.100000112.2Q807 T809 V813 Q814 E815Q807-A811 PolarHBondContact O-N 3.16Å; Q807-A811 VanDerWaalsContact O-N 3.13Å; T809-A811 VanDerWaalsContact C-N 3.33Å; T809-A811 PolarHBondContact O-N 3.42Å; A811-V813 VanDerWaalsContact C-N 3.33Å; A811-V813 PolarHBondContact O-N 3.06Å; A811-Q814 PolarHBondContact O-N 3.08Å; A811-E815 PolarHBondContact O-N 3.36Å; A811-E815 VanDerWaalsContact O-N 3.13Å
812A76.4Confident76.4Confident50 Ų50107 Ų10741%0.41354%0.538SS..Hα-helixtrans-65.3-33.7177.400000113.1E808 T809 L816E808-A812 PolarHBondContact O-N 2.9Å; T809-A812 PolarHBondContact O-N 3.45Å; A812-L816 WeakPolarHBondContact O-CG 3.3Å; A812-L816 PolarHBondContact O-N 3.17Å
813V77.9Confident76.3Confident79 Ų79106.9 Ų106.948%0.47954%0.538SS..Hα-helixtrans-65.5-41.4172.81720000111T809 A810 A811 E815 L816 E817T809-V813 WeakPolarHBondContact O-CG2 3.47Å; T809-V813 PolarHBondContact O-N 2.95Å; A810-V813 PolarHBondContact O-N 3.18Å; A811-V813 VanDerWaalsContact C-N 3.33Å; A811-V813 PolarHBondContact O-N 3.06Å; V813-E815 PolarHBondContact O-N 2.94Å; V813-L816 WeakPolarHBondContact O-CB 3.3Å; V813-L816 PolarHBondContact O-N 3.19Å; V813-L816 VanDerWaalsContact O-N 3.13Å; V813-E817 PolarHBondContact O-N 2.85Å
814Q75.5Confident75.9Confident128 Ų128107 Ų10760%0.59854%0.536SS*.Hα-helixtrans-64.9-37.2177.7-70176.40.600112.7A810 A811 L816 E817 V818A810-Q814 WeakPolarHBondContact O-CG 3.25Å; A810-Q814 PolarHBondContact O-N 2.93Å; A811-Q814 PolarHBondContact O-N 3.08Å; Q814-L816 VanDerWaalsContact C-N 3.31Å; Q814-L816 PolarHBondContact O-N 2.94Å; Q814-E817 PolarHBondContact O-N 3.19Å; Q814-V818 WeakPolarHBondContact O-CG2 3.43Å; Q814-V818 PolarHBondContact O-N 3Å
815E74.9Confident75.6Confident130 Ų130108.1 Ų108.161%0.60755%0.548SS*.Hα-helixtrans-63-36.1171.4-73.9-157.5138.400112.9A811 V813 R819A811-E815 PolarHBondContact O-N 3.36Å; A811-E815 VanDerWaalsContact O-N 3.13Å; V813-E815 PolarHBondContact O-N 2.94Å; E815-R819 WeakPolarHBondContact O-CG 3.42Å; E815-R819 PolarHBondContact O-N 2.66Å
816L74.4Confident75.2Confident111 Ų111105.1 Ų105.158%0.58154%0.542SS*.Hα-helixtrans-69.3-41.4177.8-72.7167.9000112.1A812 V813 Q814 V818 R819 Q820A812-L816 WeakPolarHBondContact O-CG 3.3Å; A812-L816 PolarHBondContact O-N 3.17Å; V813-L816 WeakPolarHBondContact O-CB 3.3Å; V813-L816 PolarHBondContact O-N 3.19Å; V813-L816 VanDerWaalsContact O-N 3.13Å; Q814-L816 VanDerWaalsContact C-N 3.31Å; Q814-L816 PolarHBondContact O-N 2.94Å; L816-V818 VanDerWaalsContact C-N 3.35Å; L816-V818 PolarHBondContact O-N 3.23Å; L816-R819 PolarHBondContact O-N 3.45Å; L816-Q820 PolarHBondContact O-N 2.83Å
817E78Confident74.8Confident117 Ų117106.1 Ų106.155%0.54754%0.54SS..Hα-helixtrans-61.6-41175.5-71.2-174.6156.400112.1V813 Q814 Q820 M821V813-E817 PolarHBondContact O-N 2.85Å; Q814-E817 PolarHBondContact O-N 3.19Å; E817-Q820 PolarHBondContact O-N 3.31Å; E817-M821 PolarHBondContact O-N 3.15Å
818V75.4Confident74.5Confident80 Ų80104.7 Ų104.749%0.48553%0.532SS..Hα-helixtrans-60.5-48.9175.2171.80000111.1Q814 L816 Q820 M821 E822Q814-V818 WeakPolarHBondContact O-CG2 3.43Å; Q814-V818 PolarHBondContact O-N 3Å; L816-V818 VanDerWaalsContact C-N 3.35Å; L816-V818 PolarHBondContact O-N 3.23Å; V818-Q820 VanDerWaalsContact C-N 3.29Å; V818-Q820 PolarHBondContact O-N 2.82Å; V818-M821 HydrophobicContact CG2-CE 4.41Å; V818-M821 PolarHBondContact O-N 3.37Å; V818-E822 PolarHBondContact O-N 2.77Å; V818-E822 VanDerWaalsContact O-N 3.14Å
819R74.8Confident73.9Confident151 Ų151109.3 Ų109.357%0.5755%0.545SS*.Hα-helixtrans-62-34.8177-71.7-178.5-177.6-172.25.3112.9E815 L816 E822 L823E815-R819 WeakPolarHBondContact O-CG 3.42Å; E815-R819 PolarHBondContact O-N 2.66Å; L816-R819 PolarHBondContact O-N 3.45Å; R819-E822 PolarHBondContact O-N 3.45Å; R819-L823 WeakPolarHBondContact O-CG 3.38Å; R819-L823 PolarHBondContact O-N 2.94Å; R819-L823 VanDerWaalsContact O-N 3.12Å
820Q73.5Confident73.6Confident124 Ų124111.2 Ų111.258%0.57955%0.551SS**Hα-helixtrans-66.4-39.7176.5-175171.1-26.500111.8L816 E817 V818 L823 E824L816-Q820 PolarHBondContact O-N 2.83Å; E817-Q820 PolarHBondContact O-N 3.31Å; V818-Q820 VanDerWaalsContact C-N 3.29Å; V818-Q820 PolarHBondContact O-N 2.82Å; Q820-L823 PolarHBondContact O-N 3.44Å; Q820-E824 PolarHBondContact O-N 3.05Å
821M74.5Confident73.2Confident123 Ų123112.9 Ų112.961%0.60655%0.55SS**Hα-helixtrans-64.2-39.5174.4-71.5-172.8-75.300112.5E817 V818 E824 V825E817-M821 PolarHBondContact O-N 3.15Å; V818-M821 HydrophobicContact CG2-CE 4.41Å; V818-M821 PolarHBondContact O-N 3.37Å; M821-E824 PolarHBondContact O-N 2.92Å; M821-V825 WeakPolarHBondContact O-CG2 3.49Å; M821-V825 PolarHBondContact O-N 2.91Å
822E71.4Confident72.5Confident118 Ų118116.7 Ų116.755%0.55156%0.558SS**Hα-helixtrans-60.2-45174.3-67.2-177.1138.700112V818 R819 V825 Q826V818-E822 PolarHBondContact O-N 2.77Å; V818-E822 VanDerWaalsContact O-N 3.14Å; R819-E822 PolarHBondContact O-N 3.45Å; E822-V825 PolarHBondContact O-N 3.36Å; E822-Q826 WeakPolarHBondContact O-CG 3.46Å; E822-Q826 PolarHBondContact O-N 3.18Å; E822-Q826 VanDerWaalsContact O-N 3.14Å
823L75.3Confident71.8Confident112 Ų112118.5 Ų118.559%0.58656%0.561SS**Hα-helixtrans-64.1-38.7177.9-73.5166.5000112.6R819 Q820 V825 Q826 R827R819-L823 WeakPolarHBondContact O-CG 3.38Å; R819-L823 PolarHBondContact O-N 2.94Å; R819-L823 VanDerWaalsContact O-N 3.12Å; Q820-L823 PolarHBondContact O-N 3.44Å; L823-V825 PolarHBondContact O-N 2.93Å; L823-Q826 PolarHBondContact O-N 2.78Å; L823-R827 WeakPolarHBondContact O-CB 3.32Å; L823-R827 PolarHBondContact O-N 2.86Å
824E72.1Confident71Confident87 Ų87119.7 Ų119.741%0.40756%0.564SS.*Hα-helixtrans-64.9-37.5175.6-82.9-157.9-155.800113.3Q820 M821 R827 K828Q820-E824 PolarHBondContact O-N 3.05Å; M821-E824 PolarHBondContact O-N 2.92Å; E824-R827 PolarHBondContact O-N 3.01Å; E824-K828 WeakPolarHBondContact O-CG 3.48Å; E824-K828 PolarHBondContact O-N 3.27Å; E824-K828 IonicContact OE2-NZ 3.21Å; E824-K828 PolarHBondContact OE2-NZ 3.44Å
825V73.4Confident70.3Confident105 Ų105119.1 Ų119.164%0.63657%0.565SS**Hα-helixtrans-66.1-40.7175.8171.90000110.7M821 E822 L823 R829M821-V825 WeakPolarHBondContact O-CG2 3.49Å; M821-V825 PolarHBondContact O-N 2.91Å; E822-V825 PolarHBondContact O-N 3.36Å; L823-V825 PolarHBondContact O-N 2.93Å; V825-R829 PolarHBondContact O-N 3Å
826Q70.8Confident69.6Low119 Ų119120.3 Ų120.356%0.55657%0.568SS**Hα-helixtrans-63.4-45.3174.6-67.4178.119.700111.7E822 L823 R829 L830E822-Q826 WeakPolarHBondContact O-CG 3.46Å; E822-Q826 PolarHBondContact O-N 3.18Å; E822-Q826 VanDerWaalsContact O-N 3.14Å; L823-Q826 PolarHBondContact O-N 2.78Å; Q826-R829 WeakPolarHBondContact O-CB 3.5Å; Q826-R829 PolarHBondContact O-N 2.95Å; Q826-L830 PolarHBondContact O-N 3.1Å
827R70.5Confident68.7Low160 Ų160121.6 Ų121.660%0.60457%0.569SS**Hα-helixtrans-60.4-49.8179-179.7-178.4161.8-161.6-10.9112.6L823 E824 R829 L830 E831L823-R827 WeakPolarHBondContact O-CB 3.32Å; L823-R827 PolarHBondContact O-N 2.86Å; E824-R827 PolarHBondContact O-N 3.01Å; R827-R829 PolarHBondContact O-N 3.46Å; R827-L830 PolarHBondContact O-N 3.39Å; R827-E831 IonicContact CZ-OE1 2.65Å; R827-E831 IonicContact NE-OE1 2.73Å; R827-E831 PolarHBondContact NE-OE1 3.3Å; R827-E831 IonicContact NH2-OE1 3.19Å; R827-E831 PolarHBondContact NH2-OE1 3.26Å; R827-E831 PolarHBondContact O-N 3.31Å; R827-E831 VanDerWaalsContact O-N 3.13Å
828K70.6Confident67.7Low114 Ų114121.9 Ų121.950%0.49657%0.57SS.*Hα-helixtrans-61.5-26.1-178.7-73.2164.9-172.9156.10112.6E824E824-K828 WeakPolarHBondContact O-CG 3.48Å; E824-K828 PolarHBondContact O-N 3.27Å; E824-K828 IonicContact OE2-NZ 3.21Å; E824-K828 PolarHBondContact OE2-NZ 3.44Å
829R66.8Low66.7Low198 Ų198126 Ų12675%0.74758%0.584SS**Hα-helixtrans-72.5-41.6174.1-161174.9-168.5162.93.9112.4V825 Q826 R827V825-R829 PolarHBondContact O-N 3Å; Q826-R829 WeakPolarHBondContact O-CB 3.5Å; Q826-R829 PolarHBondContact O-N 2.95Å; R827-R829 PolarHBondContact O-N 3.46Å
830L67.1Low65.7Low124 Ų124127.9 Ų127.965%0.64959%0.591SS**Hα-helixtrans-67.2-38.4178-72.2165000112.5Q826 R827 Q832 D833 L834Q826-L830 PolarHBondContact O-N 3.1Å; R827-L830 PolarHBondContact O-N 3.39Å; L830-Q832 VanDerWaalsContact C-N 3.32Å; L830-Q832 PolarHBondContact O-N 2.87Å; L830-D833 PolarHBondContact O-N 3.39Å; L830-L834 PolarHBondContact O-N 3.19Å
831E67.9Low64.9Low85 Ų85125.8 Ų125.840%0.39759%0.587SS.*Hα-helixtrans-63.7-33.8-179.9-71.1174.1163.900112.7R827 L834R827-E831 IonicContact CZ-OE1 2.65Å; R827-E831 IonicContact NE-OE1 2.73Å; R827-E831 PolarHBondContact NE-OE1 3.3Å; R827-E831 IonicContact NH2-OE1 3.19Å; R827-E831 PolarHBondContact NH2-OE1 3.26Å; R827-E831 PolarHBondContact O-N 3.31Å; R827-E831 VanDerWaalsContact O-N 3.13Å; E831-L834 PolarHBondContact O-N 3Å
832Q61.3Low63.8Low135 Ų135122.5 Ų122.563%0.63158%0.584SS**Hα-helixtrans-71.5-33.7176.8-70.5-169.9-3.300114L830 L834L830-Q832 VanDerWaalsContact C-N 3.32Å; L830-Q832 PolarHBondContact O-N 2.87Å; Q832-L834 VanDerWaalsContact C-N 3.3Å
833D61.9Low62.8Low88 Ų88127.1 Ų127.147%0.47160%0.597SS.*Hα-helixtrans-76.9-18.4177.6-84.9-14.3000112.9L830 K837L830-D833 PolarHBondContact O-N 3.39Å; D833-K837 WeakPolarHBondContact O-CD 3.41Å; D833-K837 WeakPolarHBondContact O-CG 3.39Å
834L61.2Low61.6Low104 Ų104127.6 Ų127.655%0.54560%0.596SS.*Hα-helixtrans-80-44.9-179.5-144151.6000111.3L830 E831 Q832 K836 K837 Q838L830-L834 PolarHBondContact O-N 3.19Å; E831-L834 PolarHBondContact O-N 3Å; Q832-L834 VanDerWaalsContact C-N 3.3Å; L834-K836 PolarHBondContact O-N 2.88Å; L834-K837 PolarHBondContact O-N 3.24Å; L834-K837 VanDerWaalsContact O-N 3.09Å; L834-Q838 HydrophobicContact CD2-CG 4.33Å; L834-Q838 PolarHBondContact O-N 3.32Å
835L61.5Low60.4Low116 Ų116129.4 Ų129.461%0.60761%0.608SS**Hα-helixtrans-58.7-43.5177.4-73.3166.4000112.6K837 Q838L835-K837 PolarHBondContact O-N 3.02Å; L835-K837 VanDerWaalsContact O-N 3.13Å; L835-Q838 PolarHBondContact O-N 3.32Å
836K59.1Low59.2Low155 Ų155132.7 Ų132.767%0.67462%0.616SS**Hα-helixtrans-64.7-14.6177.7-71.5178.5-178.2167.80114.5L834L834-K836 PolarHBondContact O-N 2.88Å
837K56.2Low57.8Low139 Ų139135.3 Ų135.360%0.60463%0.628SS**Hα-helixtrans-93.8-33.3177.5-69.5170.6-175.9168.30111.9D833 L834 L835 E839 R840 V841D833-K837 WeakPolarHBondContact O-CD 3.41Å; D833-K837 WeakPolarHBondContact O-CG 3.39Å; L834-K837 PolarHBondContact O-N 3.24Å; L834-K837 VanDerWaalsContact O-N 3.09Å; L835-K837 PolarHBondContact O-N 3.02Å; L835-K837 VanDerWaalsContact O-N 3.13Å; K837-E839 PolarHBondContact O-N 2.8Å; K837-R840 PolarHBondContact O-N 3.2Å; K837-V841 PolarHBondContact O-N 3.06Å
838Q55.6Low56.5Low122 Ų122133.4 Ų133.457%0.5763%0.626SS**Hα-helixtrans-64.2-39.3-178.9-71.6-178.3-66.600113.2L834 L835 R840 G842L834-Q838 HydrophobicContact CD2-CG 4.33Å; L834-Q838 PolarHBondContact O-N 3.32Å; L835-Q838 PolarHBondContact O-N 3.32Å; Q838-R840 PolarHBondContact O-N 2.87Å; Q838-G842 PolarHBondContact O-N 3.32Å
839E55.2Low55.7Low168 Ų168133.7 Ų133.779%0.78564%0.638SS**Hα-helixtrans-65.9-19.7179.5-66.3-169.3139.900114.5K837K837-E839 PolarHBondContact O-N 2.8Å
840R53.5Low54.5Low189 Ų189133 Ų13371%0.71364%0.643SS**Hα-helixtrans-86.6-50.8178.8-170.3176-65.5-154.6-1.2111.8K837 Q838 G842 R843K837-R840 PolarHBondContact O-N 3.2Å; Q838-R840 PolarHBondContact O-N 2.87Å; R840-G842 PolarHBondContact O-N 3.41Å; R840-R843 PolarHBondContact O-N 3.16Å
841V57.1Low53.2Low80 Ų80133.8 Ų133.849%0.48565%0.647SS.*Hα-helixtrans-62.6-29.9-177179.10000111.9K837 R843 E844 L845K837-V841 PolarHBondContact O-N 3.06Å; V841-R843 PolarHBondContact O-N 2.91Å; V841-E844 PolarHBondContact O-N 3.28Å; V841-L845 PolarHBondContact O-N 3.47Å
842G52.3Low52Low54 Ų54136.7 Ų136.756%0.55766%0.658SS**THydrogen-bonded Turntrans-60.7-10.617900000116.2Q838 R840Q838-G842 PolarHBondContact O-N 3.32Å; R840-G842 PolarHBondContact O-N 3.41Å
843R49.9Very low51.3Low216 Ų216139.2 Ų139.282%0.81567%0.672SS**THydrogen-bonded Turntrans-103.9-15.6173.9-58.2-170.3-168.9-158.12.1114.3R840 V841 L845R840-R843 PolarHBondContact O-N 3.16Å; V841-R843 PolarHBondContact O-N 2.91Å; R843-L845 VanDerWaalsContact C-N 3.33Å
844E49.6Very low49.8Very low122 Ų122146.5 Ų146.557%0.5769%0.693SS**THydrogen-bonded Turntrans-86.6-13.1179.3-66.9163.8174.600110.9V841 E846V841-E844 PolarHBondContact O-N 3.28Å; E844-E846 PolarHBondContact O-N 3.38Å
845L47.7Very low48.4Very low124 Ų124145.2 Ų145.265%0.64970%0.698SS**THydrogen-bonded Turntrans-73.8-20-174.9-15378000114.9V841 R843 V849V841-L845 PolarHBondContact O-N 3.47Å; R843-L845 VanDerWaalsContact C-N 3.33Å; L845-V849 WeakPolarHBondContact O-CG2 3.48Å
846E47.1Very low46.8Very low175 Ų175143.7 Ų143.782%0.81870%0.701SS**THydrogen-bonded Turntrans-83.4-20.2-174.6-64.8-168.5138.600113.7E844E844-E846 PolarHBondContact O-N 3.38Å
847E40.9Very low45.5Very low173 Ų173144.1 Ų144.181%0.80871%0.706SS**THydrogen-bonded Turntrans-94.2-33.9-176.3-63.6-167.7153.300114.2V849E847-V849 VanDerWaalsContact C-N 3.33Å; E847-V849 PolarHBondContact O-N 3.07Å
848E45Very low44.1Very low120 Ų120147.5 Ų147.556%0.56172%0.715SS**G310 helixtrans-75.3-15.4-176.9-104.5-154.7128.700114.6Q850 L851 K852E848-Q850 PolarHBondContact O-N 3.31Å; E848-L851 PolarHBondContact O-N 2.85Å; E848-K852 IonicContact OE1-NZ 2.75Å; E848-K852 PolarHBondContact OE1-NZ 3.24Å
849V53.4Low42.8Very low121 Ų121145.8 Ų145.873%0.73372%0.722SS**G310 helixtrans-58.5-23.9-175.1171.80000113.5L845 E847L845-V849 WeakPolarHBondContact O-CG2 3.48Å; E847-V849 VanDerWaalsContact C-N 3.33Å; E847-V849 PolarHBondContact O-N 3.07Å
850Q41Very low41.5Very low183 Ų183144.6 Ų144.686%0.85572%0.721SS**G310 helixtrans-94.9-6.7178.8-62.3-168.40.900114.6E848E848-Q850 PolarHBondContact O-N 3.31Å
851L39.8Very low40.4Very low140 Ų140143.7 Ų143.773%0.73372%0.724SS**SBendtrans-113.912.3-160-124.3168.7000116.5E848E848-L851 PolarHBondContact O-N 2.85Å
852K43.7Very low39.1Very low146 Ų146146.3 Ų146.364%0.63574%0.741SS**  trans-13825.1173.4-102.5153.4-155.8156.30116.7E848 R854E848-K852 IonicContact OE1-NZ 2.75Å; E848-K852 PolarHBondContact OE1-NZ 3.24Å; K852-R854 PolarHBondContact O-N 3.49Å
853M45.6Very low37.9Very low188 Ų188147.2 Ų147.293%0.92675%0.75SS**SBendtrans-7232.3166.2-151.2-177.980.200113.2
854R30.2Very low37.7Very low242 Ų242142.8 Ų142.891%0.91375%0.75SS**  trans-154.261.4-175.9-71.8-169.7178.4166.90.1111.7K852K852-R854 PolarHBondContact O-N 3.49Å
855A32Very low36.5Very low77 Ų77145.7 Ų145.764%0.63676%0.763SS**  trans-161.5118.7166.500000106.7
856A28.4Very low35.6Very low83 Ų83147.5 Ų147.569%0.68677%0.768SS**  cis58.5120.617.600000113
857E31.1Very low34.6Very low165 Ų165145.4 Ų145.477%0.77176%0.762SS**  cis-152.4-170.110.7-126.1170147.700113
858R27.5Very low34Very low210 Ų210146.2 Ų146.279%0.79277%0.765SS**  trans-69.6146.9174.1-43163.2-163.375.92.3109.8
859A27Very low33.1Very low86 Ų86144.2 Ų144.271%0.71178%0.777SS**  trans179.7165.8132.700000112.9
860D28.3Very low31.9Very low143 Ų143142.9 Ų142.977%0.76578%0.778SS**  trans71.9114.4165-56.2-7.9000117.4
861E31.2Very low31.6Very low169 Ų169142.8 Ų142.879%0.7978%0.778SS**  cis71.3144.629.6-50.2-165.2-173.100115.1
862T30.2Very low31.1Very low135 Ų135141.5 Ų141.583%0.82878%0.781SS**  cis-158.4165.8-20.426.30000108
863G25.9Very low30.7Very low74 Ų74141 Ų14176%0.76379%0.785SS**  trans170.1131.217200000116.7
864P46.7Very low30.5Very low123 Ų123137.4 Ų137.480%0.79978%0.776SS**  trans-131.7-159.4-173.641.4-23.5000116.5
865E24.5Very low31Very low182 Ų182133.9 Ų133.985%0.8577%0.77SS**  trans88.3167.1170.8-55.7-165.6158.100119.4
866Q27.3Very low31.5Very low163 Ų163135 Ų13576%0.76278%0.779SS**  -159.3167.4-69.4-140.5-176.559.700112.5
867L26.1Very low32.1Very low131 Ų131137.2 Ų137.269%0.68678%0.779SS**  trans79.6106.2156.1-64.7170.5000124.1
868H30.1Very low32.8Very low190 Ų190136.6 Ų136.688%0.8878%0.776SS**  71.5133.4125.8-86.354000124.4
869G25.4Very low33.7Very low77 Ų77135.7 Ų135.779%0.79478%0.78SS**  trans165.688.116400000116.4
870A29Very low34.6Very low93 Ų93136 Ų13677%0.76978%0.777SS**  trans-41.9139.8175.300000116.1
871E32.8Very low35.4Very low181 Ų181133.9 Ų133.985%0.84677%0.765SS**  69.9148.268.6-72.3-173.2-167.200114.6
872S30.5Very low36.3Very low114 Ų114129 Ų12980%0.79775%0.754SS**  cis-139.3167.325.6-46.70000114.6
873N34.5Very low37.1Very low134 Ų134130.3 Ų130.372%0.71775%0.751SS**  trans-149.4123.6176-176.719.4000112.3
874P41Very low38.1Very low114 Ų114130.4 Ų130.474%0.7474%0.744SS**  trans-122.785.7176.737.6-22.5000112.9
875Q42.1Very low38.1Very low167 Ų167132.3 Ų132.378%0.7874%0.737SS**  trans-125.542.8-176.8-148.1172.325.200113.9
876A41.8Very low39.3Very low100 Ų100131 Ų13183%0.82673%0.73SS**SBendtrans-138.927.1177.400000112.7
877L40.8Very low40.3Very low131 Ų131129.6 Ų129.669%0.68673%0.727SS**SBendtrans-140.11.7-169.4-116162.9000115.1
878E46.3Very low41.5Very low151 Ų151124.9 Ų124.971%0.70671%0.71SS**SBendtrans-99.7-33.1179.1-67.9-171.6120.300113.5S880 L881E878-S880 PolarHBondContact O-N 3.07Å; E878-L881 PolarHBondContact O-N 2.84Å; E878-L881 VanDerWaalsContact O-N 3.08Å
879E46.8Very low42.5Very low192 Ų192121.8 Ų121.890%0.89770%0.7SS**THydrogen-bonded Turntrans-64.6-24.7-176.7-65.4-171.5132.400113.6
880S45.6Very low43.6Very low91 Ų91124 Ų12464%0.63669%0.689SS**THydrogen-bonded Turntrans-85.7-6176.756.80000114.5E878E878-S880 PolarHBondContact O-N 3.07Å
881L44.2Very low44.8Very low100 Ų100122.1 Ų122.152%0.52467%0.671SS.*THydrogen-bonded Turntrans-91.5-26.4-179.1-134.481.5000113.1E878 Y885E878-L881 PolarHBondContact O-N 2.84Å; E878-L881 VanDerWaalsContact O-N 3.08Å; L881-Y885 HydrophobicContact CD2-CE2 4.23Å; L881-Y885 HydrophobicContact CG-CE2 4.31Å; L881-Y885 WeakPolarHBondContact O-CD2 3.42Å
882A50.2Low45.9Very low66 Ų66117.9 Ų117.955%0.54565%0.654SS.*Hα-helixtrans-70.8-43.4-168.600000114.1A884A882-A884 VanDerWaalsContact C-N 3.3Å; A882-A884 PolarHBondContact O-N 3.14Å
883E47Very low47.4Very low163 Ų163120.4 Ų120.476%0.76265%0.646SS**Hα-helixtrans-69.7-27.4-177.2-62.9-167.6137.800112.8Y885E883-Y885 VanDerWaalsContact C-N 3.31Å; E883-Y885 PolarHBondContact O-N 3.19Å
884A46.6Very low48.5Very low76 Ų76119.1 Ų119.163%0.62864%0.636SS**Hα-helixtrans-67.4-26.9-178.400000113.7A882A882-A884 VanDerWaalsContact C-N 3.3Å; A882-A884 PolarHBondContact O-N 3.14Å
885Y46.8Very low49.7Very low163 Ų163120.9 Ų120.964%0.63963%0.627SS**Hα-helixtrans-86.6-20.9-176.2-82.1-76.2000114.7L881 E883L881-Y885 HydrophobicContact CD2-CE2 4.23Å; L881-Y885 HydrophobicContact CG-CE2 4.31Å; L881-Y885 WeakPolarHBondContact O-CD2 3.42Å; E883-Y885 VanDerWaalsContact C-N 3.31Å; E883-Y885 PolarHBondContact O-N 3.19Å
886Q50.8Low50.9Low154 Ų154117.9 Ų117.972%0.7261%0.614SS**Hα-helixtrans-75.8-46.4-177.8-74.5-172.3-27.400112.9G888Q886-G888 VanDerWaalsContact C-N 3.3Å; Q886-G888 PolarHBondContact O-N 3.01Å
887L49Very low52.1Low133 Ų133115.7 Ų115.770%0.69659%0.59SS**Hα-helixtrans-69.3-24.1-175.6-78.9162000114.1S891L887-S891 WeakPolarHBondContact O-CB 3.44Å; L887-S891 PolarHBondContact O-OG 2.66Å
888G51.3Low53.3Low32 Ų32114.3 Ų114.333%0.3358%0.583SS.*Hα-helixtrans-71-56.2177.600000112.9Q886 E890 S891 D892Q886-G888 VanDerWaalsContact C-N 3.3Å; Q886-G888 PolarHBondContact O-N 3.01Å; G888-E890 PolarHBondContact O-N 3.43Å; G888-S891 PolarHBondContact O-N 2.87Å; G888-D892 PolarHBondContact O-N 2.94Å
889L49.8Very low54.6Low126 Ų126108.4 Ų108.466%0.6656%0.562SS**Hα-helixtrans-62.9-40.1-173.3-9374.1000112.7W893L889-W893 WeakPolarHBondContact O-CB 3.44Å; L889-W893 PolarHBondContact O-N 3.29Å
890E48.6Very low55.8Low123 Ų123106.6 Ų106.658%0.57555%0.547SS*.Hα-helixtrans-66-40.1177-116.5-175.2164.700111.8G888 Q894G888-E890 PolarHBondContact O-N 3.43Å; E890-Q894 VanDerWaalsContact O-CB 3.3Å; E890-Q894 WeakPolarHBondContact O-CB 3.26Å; E890-Q894 WeakPolarHBondContact O-CG 3.39Å; E890-Q894 PolarHBondContact O-N 2.85Å
891S55.4Low56.8Low54 Ų54106.7 Ų106.738%0.37854%0.54SS..Hα-helixtrans-66.4-37.7179.6-63.50000113.2L887 G888 R895L887-S891 WeakPolarHBondContact O-CB 3.44Å; L887-S891 PolarHBondContact O-OG 2.66Å; G888-S891 PolarHBondContact O-N 2.87Å; S891-R895 PolarHBondContact O-N 3.45Å; S891-R895 PolarHBondContact O-NE 3.09Å; S891-R895 PolarHBondContact O-NH2 3.31Å
892D55.8Low58.2Low91 Ų91107.5 Ų107.549%0.48754%0.541SS..Hα-helixtrans-76.6-43176.3-74.9-28.6000111.7G888 Q894 R895 E896G888-D892 PolarHBondContact O-N 2.94Å; D892-Q894 PolarHBondContact O-N 2.84Å; D892-R895 PolarHBondContact O-N 2.9Å; D892-R895 IonicContact OD1-CZ 3.13Å; D892-R895 IonicContact OD1-NH1 3.09Å; D892-R895 PolarHBondContact OD1-NH1 3.37Å; D892-R895 IonicContact OD1-NH2 2.61Å; D892-R895 PolarHBondContact OD1-NH2 3.1Å; D892-E896 PolarHBondContact O-N 3.31Å
893W61.5Low59.2Low168 Ų168111 Ų11164%0.63655%0.546SS*.Hα-helixtrans-61.7-43.6177-176.385000112L889 R895 E896 V897L889-W893 WeakPolarHBondContact O-CB 3.44Å; L889-W893 PolarHBondContact O-N 3.29Å; W893-R895 PolarHBondContact O-N 3.17Å; W893-E896 PolarHBondContact O-N 3.09Å; W893-V897 HydrophobicContact CD2-CG2 3.96Å; W893-V897 HydrophobicContact CE3-CG2 4.27Å; W893-V897 HydrophobicContact CH2-CG2 4.2Å; W893-V897 HydrophobicContact CZ2-CG2 3.88Å; W893-V897 HydrophobicContact CZ3-CG2 4.38Å; W893-V897 WeakPolarHBondContact O-CB 3.47Å; W893-V897 WeakPolarHBondContact O-CG2 3.26Å; W893-V897 PolarHBondContact O-N 2.97Å
894Q56.4Low60.5Low106 Ų106106.9 Ų106.950%0.49553%0.532SS..Hα-helixtrans-62.7-40.5175.4-72.6176.422.900111.8E890 D892 L898E890-Q894 VanDerWaalsContact O-CB 3.3Å; E890-Q894 WeakPolarHBondContact O-CB 3.26Å; E890-Q894 WeakPolarHBondContact O-CG 3.39Å; E890-Q894 PolarHBondContact O-N 2.85Å; D892-Q894 PolarHBondContact O-N 2.84Å; Q894-L898 WeakPolarHBondContact O-CB 3.48Å; Q894-L898 PolarHBondContact O-N 3.14Å
895R66.9Low61.6Low151 Ų151109 Ų10957%0.5753%0.529SS*.Hα-helixtrans-65.2-39.6174.7-90.8-178.9-80.41071.5112.6S891 D892 W893 G899S891-R895 PolarHBondContact O-N 3.45Å; S891-R895 PolarHBondContact O-NE 3.09Å; S891-R895 PolarHBondContact O-NH2 3.31Å; D892-R895 PolarHBondContact O-N 2.9Å; D892-R895 IonicContact OD1-CZ 3.13Å; D892-R895 IonicContact OD1-NH1 3.09Å; D892-R895 PolarHBondContact OD1-NH1 3.37Å; D892-R895 IonicContact OD1-NH2 2.61Å; D892-R895 PolarHBondContact OD1-NH2 3.1Å; W893-R895 PolarHBondContact O-N 3.17Å; R895-G899 PolarHBondContact O-N 3.45Å
896E66.7Low62.9Low105 Ų105103.2 Ų103.249%0.49151%0.514SS..Hα-helixtrans-68.9-42.5177-160.1-171.2165.800112.1D892 W893 G899 R900D892-E896 PolarHBondContact O-N 3.31Å; W893-E896 PolarHBondContact O-N 3.09Å; E896-G899 PolarHBondContact O-N 2.89Å; E896-R900 WeakPolarHBondContact O-CB 3.4Å; E896-R900 VanDerWaalsContact O-CG 3.31Å; E896-R900 WeakPolarHBondContact O-CG 3.3Å; E896-R900 PolarHBondContact O-N 2.91Å; E896-R900 IonicContact OE1-CZ 2.68Å; E896-R900 IonicContact OE1-NE 3.15Å; E896-R900 PolarHBondContact OE1-NE 3.43Å; E896-R900 IonicContact OE1-NH2 2.63Å; E896-R900 PolarHBondContact OE1-NH2 2.82Å
897V67.4Low64Low54 Ų54100.7 Ų100.733%0.32750%0.502SS..Hα-helixtrans-62.3-43.1175.5169.80000111.2W893 R900 L901W893-V897 HydrophobicContact CD2-CG2 3.96Å; W893-V897 HydrophobicContact CE3-CG2 4.27Å; W893-V897 HydrophobicContact CH2-CG2 4.2Å; W893-V897 HydrophobicContact CZ2-CG2 3.88Å; W893-V897 HydrophobicContact CZ3-CG2 4.38Å; W893-V897 WeakPolarHBondContact O-CB 3.47Å; W893-V897 WeakPolarHBondContact O-CG2 3.26Å; W893-V897 PolarHBondContact O-N 2.97Å; V897-R900 PolarHBondContact O-N 3.36Å; V897-L901 HydrophobicContact CG1-CD1 4.25Å; V897-L901 WeakPolarHBondContact O-CB 3.46Å; V897-L901 PolarHBondContact O-N 3.38Å
898L66.6Low64.9Low102 Ų10299.8 Ų99.853%0.53450%0.495SS..Hα-helixtrans-64.2-42.2176.6-151.983.3000111.7Q894 L901 Q902Q894-L898 WeakPolarHBondContact O-CB 3.48Å; Q894-L898 PolarHBondContact O-N 3.14Å; L898-L901 WeakPolarHBondContact O-CB 3.45Å; L898-L901 PolarHBondContact O-N 3.48Å; L898-Q902 WeakPolarHBondContact O-CG 3.29Å; L898-Q902 PolarHBondContact O-N 3.07Å
899G73.2Confident66.1Low26 Ų26103.9 Ų103.927%0.26851%0.505SS..Hα-helixtrans-64-41.4176.200000113.1R895 E896 Q902 Q903R895-G899 PolarHBondContact O-N 3.45Å; E896-G899 PolarHBondContact O-N 2.89Å; G899-Q902 PolarHBondContact O-N 3.09Å; G899-Q903 WeakPolarHBondContact O-CG 3.46Å; G899-Q903 PolarHBondContact O-N 3.32Å
900R71.4Confident67.5Low155 Ų155106.5 Ų106.559%0.58551%0.506SS*.Hα-helixtrans-65.2-39.5174.3-72.4171.3177.9-128.66111.7E896 V897 Q903 V904E896-R900 WeakPolarHBondContact O-CB 3.4Å; E896-R900 VanDerWaalsContact O-CG 3.31Å; E896-R900 WeakPolarHBondContact O-CG 3.3Å; E896-R900 PolarHBondContact O-N 2.91Å; E896-R900 IonicContact OE1-CZ 2.68Å; E896-R900 IonicContact OE1-NE 3.15Å; E896-R900 PolarHBondContact OE1-NE 3.43Å; E896-R900 IonicContact OE1-NH2 2.63Å; E896-R900 PolarHBondContact OE1-NH2 2.82Å; V897-R900 PolarHBondContact O-N 3.36Å; R900-Q903 PolarHBondContact O-N 2.95Å; R900-V904 WeakPolarHBondContact O-CG2 3.48Å; R900-V904 PolarHBondContact O-N 3.44Å
901L67.9Low68.7Low93 Ų93106.1 Ų106.149%0.48750%0.503SS..Hα-helixtrans-60.6-51.4172.8-94.9159.6000111.6V897 L898 Q903 V904 E905V897-L901 HydrophobicContact CG1-CD1 4.25Å; V897-L901 WeakPolarHBondContact O-CB 3.46Å; V897-L901 PolarHBondContact O-N 3.38Å; L898-L901 WeakPolarHBondContact O-CB 3.45Å; L898-L901 PolarHBondContact O-N 3.48Å; L901-Q903 VanDerWaalsContact C-N 3.28Å; L901-Q903 PolarHBondContact O-N 2.87Å; L901-V904 PolarHBondContact O-N 3.35Å; L901-V904 VanDerWaalsContact O-N 3.08Å; L901-E905 WeakPolarHBondContact O-CG 3.43Å; L901-E905 PolarHBondContact O-N 2.64Å
902Q73.6Confident69.6Low117 Ų117112.3 Ų112.355%0.54752%0.518SS..Hα-helixtrans-61.2-34.9178.4-72.1175.6-3.800112.7L898 G899 A906L898-Q902 WeakPolarHBondContact O-CG 3.29Å; L898-Q902 PolarHBondContact O-N 3.07Å; G899-Q902 PolarHBondContact O-N 3.09Å; Q902-A906 WeakPolarHBondContact O-CB 3.43Å; Q902-A906 PolarHBondContact O-N 2.9Å
903Q69.5Low70.8Confident138 Ų138112.5 Ų112.565%0.64552%0.519SS*.Hα-helixtrans-66.9-42172.7-751773.500112.4G899 R900 L901 A906 E907G899-Q903 WeakPolarHBondContact O-CG 3.46Å; G899-Q903 PolarHBondContact O-N 3.32Å; R900-Q903 PolarHBondContact O-N 2.95Å; L901-Q903 VanDerWaalsContact C-N 3.28Å; L901-Q903 PolarHBondContact O-N 2.87Å; Q903-A906 PolarHBondContact O-N 3.13Å; Q903-E907 WeakPolarHBondContact O-CB 3.44Å; Q903-E907 PolarHBondContact O-N 3.2Å
904V75.1Confident71.6Confident78 Ų78109.6 Ų109.647%0.47352%0.515SS..Hα-helixtrans-66.8-40.7176.8169.50000111.5R900 L901 E907 Q908R900-V904 WeakPolarHBondContact O-CG2 3.48Å; R900-V904 PolarHBondContact O-N 3.44Å; L901-V904 PolarHBondContact O-N 3.35Å; L901-V904 VanDerWaalsContact O-N 3.08Å; V904-E907 PolarHBondContact O-N 2.96Å; V904-Q908 WeakPolarHBondContact O-CG 3.33Å; V904-Q908 PolarHBondContact O-N 3.27Å
905E69.1Low72.6Confident121 Ų121109.7 Ų109.757%0.56552%0.519SS*.Hα-helixtrans-64.6-47.1174.6-71-177.5149.200111.2L901 E907 Q908 E909L901-E905 WeakPolarHBondContact O-CG 3.43Å; L901-E905 PolarHBondContact O-N 2.64Å; E905-E907 VanDerWaalsContact C-N 3.28Å; E905-E907 PolarHBondContact O-N 3.49Å; E905-Q908 PolarHBondContact O-N 3.01Å; E905-Q908 VanDerWaalsContact O-N 3.11Å; E905-E909 WeakPolarHBondContact O-CB 3.42Å; E905-E909 PolarHBondContact O-N 3.4Å
906A75.8Confident73.1Confident40 Ų40104.8 Ų104.833%0.33151%0.51SS..Hα-helixtrans-61.1-34.2174.800000112.8Q902 Q903 R910Q902-A906 WeakPolarHBondContact O-CB 3.43Å; Q902-A906 PolarHBondContact O-N 2.9Å; Q903-A906 PolarHBondContact O-N 3.13Å; A906-R910 WeakPolarHBondContact O-CB 3.47Å; A906-R910 WeakPolarHBondContact O-CD 3.38Å; A906-R910 WeakPolarHBondContact O-CG 3.33Å; A906-R910 PolarHBondContact O-N 3.34Å
907E72.9Confident74Confident101 Ų101104.7 Ų104.747%0.47251%0.51SS..Hα-helixtrans-69.4-41.7171.2-88.6-157.6-159.600113.2Q903 V904 E905 E909 R910 K911Q903-E907 WeakPolarHBondContact O-CB 3.44Å; Q903-E907 PolarHBondContact O-N 3.2Å; V904-E907 PolarHBondContact O-N 2.96Å; E905-E907 VanDerWaalsContact C-N 3.28Å; E905-E907 PolarHBondContact O-N 3.49Å; E907-E909 VanDerWaalsContact C-N 3.32Å; E907-R910 PolarHBondContact O-N 3.07Å; E907-K911 WeakPolarHBondContact O-CB 3.47Å; E907-K911 VanDerWaalsContact O-CD 3.31Å; E907-K911 WeakPolarHBondContact O-CD 3.39Å; E907-K911 WeakPolarHBondContact O-CG 3.46Å; E907-K911 PolarHBondContact O-N 2.85Å; E907-K911 IonicContact OE2-NZ 2.87Å; E907-K911 PolarHBondContact OE2-NZ 3.11Å
908Q68Low74.7Confident114 Ų114106.8 Ų106.853%0.53352%0.519SS..Hα-helixtrans-65-37.9175.7-73.9-173.532.400111.5V904 E905 K911 R912V904-Q908 WeakPolarHBondContact O-CG 3.33Å; V904-Q908 PolarHBondContact O-N 3.27Å; E905-Q908 PolarHBondContact O-N 3.01Å; E905-Q908 VanDerWaalsContact O-N 3.11Å; Q908-K911 PolarHBondContact O-N 2.91Å; Q908-R912 WeakPolarHBondContact O-CB 3.29Å; Q908-R912 PolarHBondContact O-N 3.18Å
909E76Confident75.1Confident118 Ų118108.4 Ų108.455%0.55152%0.523SS*.Hα-helixtrans-70-41.9176.4-170.7139.4-11300111.8E905 E907 K911 R912 N913E905-E909 WeakPolarHBondContact O-CB 3.42Å; E905-E909 PolarHBondContact O-N 3.4Å; E907-E909 VanDerWaalsContact C-N 3.32Å; E909-K911 VanDerWaalsContact C-N 3.31Å; E909-K911 PolarHBondContact O-N 2.98Å; E909-R912 PolarHBondContact O-N 2.83Å; E909-N913 WeakPolarHBondContact O-CB 3.23Å; E909-N913 VanDerWaalsContact O-CG 3.23Å; E909-N913 PolarHBondContact O-N 3.49Å; E909-N913 PolarHBondContact O-ND2 3.05Å
910R79.4Confident75.5Confident182 Ų182117 Ų11769%0.68755%0.548SS*.Hα-helixtrans-57.4-42.6168.9-75.3167.7-175.9178.12.6111.9A906 E907 N913 L914A906-R910 WeakPolarHBondContact O-CB 3.47Å; A906-R910 WeakPolarHBondContact O-CD 3.38Å; A906-R910 WeakPolarHBondContact O-CG 3.33Å; A906-R910 PolarHBondContact O-N 3.34Å; E907-R910 PolarHBondContact O-N 3.07Å; R910-N913 PolarHBondContact O-N 3.41Å; R910-L914 WeakPolarHBondContact O-CB 3.48Å; R910-L914 PolarHBondContact O-N 2.83Å
911K74.4Confident76.1Confident114 Ų114115.1 Ų115.150%0.49654%0.544SS..Hα-helixtrans-67.8-38.6177.6-70.9160.7-166.5166.30112E907 Q908 E909 L915E907-K911 WeakPolarHBondContact O-CB 3.47Å; E907-K911 VanDerWaalsContact O-CD 3.31Å; E907-K911 WeakPolarHBondContact O-CD 3.39Å; E907-K911 WeakPolarHBondContact O-CG 3.46Å; E907-K911 PolarHBondContact O-N 2.85Å; E907-K911 IonicContact OE2-NZ 2.87Å; E907-K911 PolarHBondContact OE2-NZ 3.11Å; Q908-K911 PolarHBondContact O-N 2.91Å; E909-K911 VanDerWaalsContact C-N 3.31Å; E909-K911 PolarHBondContact O-N 2.98Å; K911-L915 WeakPolarHBondContact O-CG 3.43Å; K911-L915 PolarHBondContact O-N 3.47Å
912R74.9Confident76.5Confident184 Ų184113.6 Ų113.669%0.69454%0.541SS*.Hα-helixtrans-63-46.4171.3-85.7-179.3164168.6-2.8112.2Q908 E909 L915 A916Q908-R912 WeakPolarHBondContact O-CB 3.29Å; Q908-R912 PolarHBondContact O-N 3.18Å; E909-R912 PolarHBondContact O-N 2.83Å; R912-L915 PolarHBondContact O-N 3.16Å; R912-A916 WeakPolarHBondContact O-CB 3.32Å; R912-A916 PolarHBondContact O-N 3.36Å
913N79.5Confident76.9Confident95 Ų95112.8 Ų112.851%0.50854%0.54SS..Hα-helixtrans-66.7-37.7-179.9-69.5-23.1000111.6E909 R910 A916 E917E909-N913 WeakPolarHBondContact O-CB 3.23Å; E909-N913 VanDerWaalsContact O-CG 3.23Å; E909-N913 PolarHBondContact O-N 3.49Å; E909-N913 PolarHBondContact O-ND2 3.05Å; R910-N913 PolarHBondContact O-N 3.41Å; N913-A916 PolarHBondContact O-N 3.43Å; N913-E917 PolarHBondContact O-N 3.28Å
914L79.2Confident77.5Confident107 Ų107108.2 Ų108.256%0.5653%0.525SS*.Hα-helixtrans-63.5-41.9172-169.970.6000112.1R910 E917 L918R910-L914 WeakPolarHBondContact O-CB 3.48Å; R910-L914 PolarHBondContact O-N 2.83Å; L914-E917 PolarHBondContact O-N 3.01Å; L914-L918 HydrophobicContact CG-CD1 4.37Å; L914-L918 WeakPolarHBondContact O-CB 3.37Å; L914-L918 VanDerWaalsContact O-CG 3.28Å; L914-L918 WeakPolarHBondContact O-CG 3.13Å; L914-L918 PolarHBondContact O-N 3.16Å
915L76.5Confident77.8Confident109 Ų109109.7 Ų109.757%0.57153%0.527SS*.Hα-helixtrans-64.8-40.7174.1-77.4166.5000112.3K911 R912 L918 Q919K911-L915 WeakPolarHBondContact O-CG 3.43Å; K911-L915 PolarHBondContact O-N 3.47Å; R912-L915 PolarHBondContact O-N 3.16Å; L915-L918 PolarHBondContact O-N 2.75Å; L915-Q919 WeakPolarHBondContact O-CG 3.39Å; L915-Q919 PolarHBondContact O-N 3.17Å
916A77.9Confident78.2Confident47 Ų47109.3 Ų109.339%0.38853%0.526SS..Hα-helixtrans-65.9-38.8176.200000112.2R912 N913 R920R912-A916 WeakPolarHBondContact O-CB 3.32Å; R912-A916 PolarHBondContact O-N 3.36Å; N913-A916 PolarHBondContact O-N 3.43Å; A916-R920 WeakPolarHBondContact O-CB 3.31Å; A916-R920 PolarHBondContact O-N 3.18Å
917E85.1Confident78.4Confident104 Ų104114.4 Ų114.449%0.48654%0.542SS..Hα-helixtrans-62.6-44.5169.9-89.2-158.8-160.500112.3N913 L914 Q919 R920 K921N913-E917 PolarHBondContact O-N 3.28Å; L914-E917 PolarHBondContact O-N 3.01Å; E917-Q919 VanDerWaalsContact C-N 3.35Å; E917-R920 PolarHBondContact O-N 3.24Å; E917-K921 WeakPolarHBondContact O-CB 3.12Å; E917-K921 WeakPolarHBondContact O-CD 3.42Å; E917-K921 VanDerWaalsContact O-CG 3.3Å; E917-K921 WeakPolarHBondContact O-CG 3.35Å; E917-K921 PolarHBondContact O-N 3.06Å; E917-K921 IonicContact OE2-NZ 2.83Å; E917-K921 PolarHBondContact OE2-NZ 3.49Å
918L82.4Confident79Confident98 Ų98115 Ų11551%0.51354%0.543SS..Hα-helixtrans-64-39.5178.2-74.3168.5000111.5L914 L915 K921 S922L914-L918 HydrophobicContact CG-CD1 4.37Å; L914-L918 WeakPolarHBondContact O-CB 3.37Å; L914-L918 VanDerWaalsContact O-CG 3.28Å; L914-L918 WeakPolarHBondContact O-CG 3.13Å; L914-L918 PolarHBondContact O-N 3.16Å; L915-L918 PolarHBondContact O-N 2.75Å; L918-K921 PolarHBondContact O-N 3.43Å; L918-S922 WeakPolarHBondContact O-CB 3.4Å; L918-S922 PolarHBondContact O-N 2.84Å
919Q74.3Confident79.4Confident135 Ų135114.5 Ų114.563%0.63154%0.544SS*.Hα-helixtrans-64.5-42.6172-74.7-173.2-55.400112.2L915 E917 K921 S922 L923L915-Q919 WeakPolarHBondContact O-CG 3.39Å; L915-Q919 PolarHBondContact O-N 3.17Å; E917-Q919 VanDerWaalsContact C-N 3.35Å; Q919-K921 VanDerWaalsContact C-N 3.34Å; Q919-K921 PolarHBondContact O-N 2.63Å; Q919-S922 PolarHBondContact O-N 2.67Å; Q919-L923 WeakPolarHBondContact O-CB 3.35Å; Q919-L923 WeakPolarHBondContact O-CG 3.25Å; Q919-L923 PolarHBondContact O-N 3.38Å
920R82.8Confident79.3Confident207 Ų207110.9 Ų110.978%0.78153%0.534SS*.Hα-helixtrans-61.7-39.8174.2-102.7-177151.7162.2-4.9112.8A916 E917 A924A916-R920 WeakPolarHBondContact O-CB 3.31Å; A916-R920 PolarHBondContact O-N 3.18Å; E917-R920 PolarHBondContact O-N 3.24Å; R920-A924 WeakPolarHBondContact O-CB 3.43Å; R920-A924 PolarHBondContact O-N 3.44Å
921K83.1Confident79.3Confident115 Ų115107.3 Ų107.350%0.553%0.525SS..Hα-helixtrans-67-42.8175.2-73.3160.1178165.60110.9E917 L918 Q919 A924 E925E917-K921 WeakPolarHBondContact O-CB 3.12Å; E917-K921 WeakPolarHBondContact O-CD 3.42Å; E917-K921 VanDerWaalsContact O-CG 3.3Å; E917-K921 WeakPolarHBondContact O-CG 3.35Å; E917-K921 PolarHBondContact O-N 3.06Å; E917-K921 IonicContact OE2-NZ 2.83Å; E917-K921 PolarHBondContact OE2-NZ 3.49Å; L918-K921 PolarHBondContact O-N 3.43Å; Q919-K921 VanDerWaalsContact C-N 3.34Å; Q919-K921 PolarHBondContact O-N 2.63Å; K921-A924 PolarHBondContact O-N 3.14Å; K921-E925 WeakPolarHBondContact O-CG 3.48Å; K921-E925 PolarHBondContact O-N 2.91Å
922S77.5Confident79.7Confident61 Ų61105.2 Ų105.243%0.42752%0.522SS..Hα-helixtrans-60.3-49.1175.3-1600000112.1L918 Q919 A924 E925 E926L918-S922 WeakPolarHBondContact O-CB 3.4Å; L918-S922 PolarHBondContact O-N 2.84Å; Q919-S922 PolarHBondContact O-N 2.67Å; S922-A924 VanDerWaalsContact C-N 3.34Å; S922-A924 PolarHBondContact O-N 3.46Å; S922-E925 PolarHBondContact O-N 3.26Å; S922-E926 WeakPolarHBondContact O-CG 3.48Å; S922-E926 PolarHBondContact O-N 3.5Å
923L81.8Confident79.7Confident101 Ų101102.5 Ų102.553%0.52952%0.518SS..Hα-helixtrans-62.2-39.6177.5-72.9167.2000112.1Q919 E926 E927Q919-L923 WeakPolarHBondContact O-CB 3.35Å; Q919-L923 WeakPolarHBondContact O-CG 3.25Å; Q919-L923 PolarHBondContact O-N 3.38Å; L923-E926 PolarHBondContact O-N 3.28Å; L923-E927 WeakPolarHBondContact O-CG 3.15Å; L923-E927 PolarHBondContact O-N 3Å
924A82.6Confident79.5Confident41 Ų41106.4 Ų106.434%0.33953%0.526SS..Hα-helixtrans-66.9-34.7176.500000113.1R920 K921 S922 K928R920-A924 WeakPolarHBondContact O-CB 3.43Å; R920-A924 PolarHBondContact O-N 3.44Å; K921-A924 PolarHBondContact O-N 3.14Å; S922-A924 VanDerWaalsContact C-N 3.34Å; S922-A924 PolarHBondContact O-N 3.46Å; A924-K928 WeakPolarHBondContact O-CD 3.3Å; A924-K928 VanDerWaalsContact O-CG 3.27Å; A924-K928 WeakPolarHBondContact O-CG 3.38Å; A924-K928 PolarHBondContact O-N 3.13Å; A924-K928 VanDerWaalsContact O-N 3.17Å
925E79.7Confident79.6Confident110 Ų110105 Ų10551%0.51452%0.516SS..Hα-helixtrans-74.4-35.1171.7-63.2-49.3136.500112.3K921 S922 K928 L929K921-E925 WeakPolarHBondContact O-CG 3.48Å; K921-E925 PolarHBondContact O-N 2.91Å; S922-E925 PolarHBondContact O-N 3.26Å; E925-K928 PolarHBondContact O-N 3.16Å; E925-K928 IonicContact OE1-NZ 2.72Å; E925-K928 PolarHBondContact OE1-NZ 3.14Å; E925-K928 VanDerWaalsContact OE2-CD 3.26Å; E925-K928 WeakPolarHBondContact OE2-CD 3.32Å; E925-K928 IonicContact OE2-NZ 3.39Å; E925-K928 PolarHBondContact OE2-NZ 2.79Å; E925-L929 WeakPolarHBondContact O-CB 3.49Å; E925-L929 PolarHBondContact O-N 3.27Å
926E78.3Confident79.6Confident113 Ų113103.3 Ų103.353%0.52851%0.511SS..Hα-helixtrans-64-39.8172.1-76.8175.7-171.500112.1S922 L923 L929 A930S922-E926 WeakPolarHBondContact O-CG 3.48Å; S922-E926 PolarHBondContact O-N 3.5Å; L923-E926 PolarHBondContact O-N 3.28Å; E926-L929 PolarHBondContact O-N 2.81Å; E926-A930 VanDerWaalsContact O-CB 3.3Å; E926-A930 WeakPolarHBondContact O-CB 3.34Å; E926-A930 PolarHBondContact O-N 3.17Å
927E80.4Confident79.3Confident146 Ų146103.5 Ų103.568%0.68251%0.512SS*.Hα-helixtrans-65.3-41.9173.8-76.3-175158.300112L923 L929 A930 H931L923-E927 WeakPolarHBondContact O-CG 3.15Å; L923-E927 PolarHBondContact O-N 3Å; E927-L929 VanDerWaalsContact C-N 3.35Å; E927-A930 PolarHBondContact O-N 2.97Å; E927-H931 WeakPolarHBondContact O-CB 3.41Å; E927-H931 PolarHBondContact O-N 2.94Å
928K84.3Confident79Confident113 Ų113100 Ų10049%0.49150%0.504SS..Hα-helixtrans-62.5-40.1171.9-72.1165.9-175.9176.40112A924 E925 H931 T932A924-K928 WeakPolarHBondContact O-CD 3.3Å; A924-K928 VanDerWaalsContact O-CG 3.27Å; A924-K928 WeakPolarHBondContact O-CG 3.38Å; A924-K928 PolarHBondContact O-N 3.13Å; A924-K928 VanDerWaalsContact O-N 3.17Å; E925-K928 PolarHBondContact O-N 3.16Å; E925-K928 IonicContact OE1-NZ 2.72Å; E925-K928 PolarHBondContact OE1-NZ 3.14Å; E925-K928 VanDerWaalsContact OE2-CD 3.26Å; E925-K928 WeakPolarHBondContact OE2-CD 3.32Å; E925-K928 IonicContact OE2-NZ 3.39Å; E925-K928 PolarHBondContact OE2-NZ 2.79Å; K928-H931 PolarHBondContact O-N 2.64Å; K928-T932 WeakPolarHBondContact O-CB 3.48Å; K928-T932 WeakPolarHBondContact O-CG2 3.4Å; K928-T932 PolarHBondContact O-N 3.17Å; K928-T932 PolarHBondContact O-OG1 3.39Å
929L76.8Confident78.7Confident105 Ų105102.5 Ų102.555%0.5551%0.507SS..Hα-helixtrans-65.3-44176.2-163.472.1000110.3E925 E926 E927 H931 T932 M933E925-L929 WeakPolarHBondContact O-CB 3.49Å; E925-L929 PolarHBondContact O-N 3.27Å; E926-L929 PolarHBondContact O-N 2.81Å; E927-L929 VanDerWaalsContact C-N 3.35Å; L929-H931 VanDerWaalsContact C-N 3.29Å; L929-H931 PolarHBondContact O-N 3.1Å; L929-T932 WeakPolarHBondContact CA-OG1 3.42Å; L929-T932 PolarHBondContact O-N 2.96Å; L929-T932 PolarHBondContact O-OG1 2.93Å; L929-T932 VanDerWaalsContact O-OG1 3.12Å; L929-M933 HydrophobicContact CG-SD 4.25Å; L929-M933 VanDerWaalsContact O-CB 3.26Å; L929-M933 WeakPolarHBondContact O-CB 3.42Å; L929-M933 VanDerWaalsContact O-CG 3.22Å; L929-M933 WeakPolarHBondContact O-CG 3.5Å; L929-M933 PolarHBondContact O-N 3.11Å
930A74.4Confident78.5Confident41 Ų41102 Ų10234%0.33950%0.503SS..Hα-helixtrans-68.4-23.2176.100000113.8E926 E927 R934E926-A930 VanDerWaalsContact O-CB 3.3Å; E926-A930 WeakPolarHBondContact O-CB 3.34Å; E926-A930 PolarHBondContact O-N 3.17Å; E927-A930 PolarHBondContact O-N 2.97Å; A930-R934 PolarHBondContact O-N 3.18Å; A930-R934 PolarHBondContact O-NE 3.35Å; A930-R934 PolarHBondContact O-NH2 2.92Å
931H79.7Confident77.8Confident107 Ų107100.4 Ų100.450%0.49550%0.497SS..Hα-helixtrans-78.1-50.8170.7-165.6-70.2000111.2E927 K928 L929 M933 R934 E935E927-H931 WeakPolarHBondContact O-CB 3.41Å; E927-H931 PolarHBondContact O-N 2.94Å; K928-H931 PolarHBondContact O-N 2.64Å; L929-H931 VanDerWaalsContact C-N 3.29Å; L929-H931 PolarHBondContact O-N 3.1Å; H931-M933 PolarHBondContact O-N 2.89Å; H931-R934 WeakPolarHBondContact O-CA 3.42Å; H931-R934 WeakPolarHBondContact O-CB 3.45Å; H931-R934 PolarHBondContact O-N 3.11Å; H931-E935 IonicContact CE1-OE1 2.66Å; H931-E935 PolarHBondContact CE1-OE1 3.09Å; H931-E935 IonicContact ND1-OE1 2.66Å; H931-E935 PolarHBondContact ND1-OE1 3.19Å; H931-E935 VanDerWaalsContact ND1-OE1 3.11Å; H931-E935 PolarHBondContact O-N 2.87Å
932T82.8Confident77.3Confident70 Ų7099.7 Ų99.743%0.42950%0.498SS..Hα-helixtrans-65.3-36179.650.80000112.3K928 L929 R934 E935 V936K928-T932 WeakPolarHBondContact O-CB 3.48Å; K928-T932 WeakPolarHBondContact O-CG2 3.4Å; K928-T932 PolarHBondContact O-N 3.17Å; K928-T932 PolarHBondContact O-OG1 3.39Å; L929-T932 WeakPolarHBondContact CA-OG1 3.42Å; L929-T932 PolarHBondContact O-N 2.96Å; L929-T932 PolarHBondContact O-OG1 2.93Å; L929-T932 VanDerWaalsContact O-OG1 3.12Å; T932-R934 VanDerWaalsContact C-N 3.33Å; T932-R934 PolarHBondContact O-N 3.36Å; T932-E935 PolarHBondContact O-N 3.48Å; T932-V936 WeakPolarHBondContact O-CB 3.46Å; T932-V936 WeakPolarHBondContact O-CG2 3.37Å; T932-V936 PolarHBondContact O-N 3.31Å
933M74.9Confident77.1Confident127 Ų127102.5 Ų102.563%0.62651%0.505SS*.Hα-helixtrans-62.8-37.1169.7-74.4-179.869.800112.4L929 H931 A937L929-M933 HydrophobicContact CG-SD 4.25Å; L929-M933 VanDerWaalsContact O-CB 3.26Å; L929-M933 WeakPolarHBondContact O-CB 3.42Å; L929-M933 VanDerWaalsContact O-CG 3.22Å; L929-M933 WeakPolarHBondContact O-CG 3.5Å; L929-M933 PolarHBondContact O-N 3.11Å; H931-M933 PolarHBondContact O-N 2.89Å; M933-A937 VanDerWaalsContact O-CB 3.26Å; M933-A937 WeakPolarHBondContact O-CB 3.38Å; M933-A937 PolarHBondContact O-N 2.74Å
934R75.5Confident76.8Confident178 Ų178102 Ų10267%0.67251%0.506SS*.Hα-helixtrans-67.2-42.6174.1-108.7174.8-70.6-179.3-4.2112A930 H931 T932 A937 G938A930-R934 PolarHBondContact O-N 3.18Å; A930-R934 PolarHBondContact O-NE 3.35Å; A930-R934 PolarHBondContact O-NH2 2.92Å; H931-R934 WeakPolarHBondContact O-CA 3.42Å; H931-R934 WeakPolarHBondContact O-CB 3.45Å; H931-R934 PolarHBondContact O-N 3.11Å; T932-R934 VanDerWaalsContact C-N 3.33Å; T932-R934 PolarHBondContact O-N 3.36Å; R934-A937 PolarHBondContact O-N 3.07Å; R934-G938 PolarHBondContact O-N 2.66Å
935E79.9Confident76.3Confident76 Ų76104.3 Ų104.336%0.35551%0.511SS..Hα-helixtrans-62.6-45.6173.8-78.4-172.2-134.800112.4H931 T932 A937 G938 R939H931-E935 IonicContact CE1-OE1 2.66Å; H931-E935 PolarHBondContact CE1-OE1 3.09Å; H931-E935 IonicContact ND1-OE1 2.66Å; H931-E935 PolarHBondContact ND1-OE1 3.19Å; H931-E935 VanDerWaalsContact ND1-OE1 3.11Å; H931-E935 PolarHBondContact O-N 2.87Å; T932-E935 PolarHBondContact O-N 3.48Å; E935-A937 VanDerWaalsContact C-N 3.31Å; E935-A937 PolarHBondContact O-N 3.11Å; E935-G938 PolarHBondContact O-N 3.36Å; E935-R939 WeakPolarHBondContact O-CG 3.45Å; E935-R939 PolarHBondContact O-N 3.06Å; E935-R939 IonicContact OE2-CZ 3.41Å; E935-R939 IonicContact OE2-NE 2.71Å; E935-R939 IonicContact OE2-NH2 3.95Å; E935-R939 PolarHBondContact OE2-NH2 2.95Å
936V78.1Confident76Confident75 Ų75103.9 Ų103.946%0.45551%0.512SS..Hα-helixtrans-66-35.5178.5171.10000111.2T932 K940T932-V936 WeakPolarHBondContact O-CB 3.46Å; T932-V936 WeakPolarHBondContact O-CG2 3.37Å; T932-V936 PolarHBondContact O-N 3.31Å; V936-K940 HydrophobicContact CG1-CD 4.32Å; V936-K940 WeakPolarHBondContact O-CB 3.46Å; V936-K940 VanDerWaalsContact O-CG 3.31Å; V936-K940 WeakPolarHBondContact O-CG 3.38Å; V936-K940 PolarHBondContact O-N 2.81Å; V936-K940 VanDerWaalsContact O-N 3.09Å
937A70.9Confident75.7Confident50 Ų50101.4 Ų101.441%0.41351%0.507SS..Hα-helixtrans-66.7-39.717200000112.3M933 R934 E935 W941M933-A937 VanDerWaalsContact O-CB 3.26Å; M933-A937 WeakPolarHBondContact O-CB 3.38Å; M933-A937 PolarHBondContact O-N 2.74Å; R934-A937 PolarHBondContact O-N 3.07Å; E935-A937 VanDerWaalsContact C-N 3.31Å; E935-A937 PolarHBondContact O-N 3.11Å; A937-W941 PolarHBondContact O-N 3.16Å
938G78.5Confident75.2Confident31 Ų31101.8 Ų101.832%0.3250%0.502SS..Hα-helixtrans-63-54.2174.400000112.2R934 E935 K940 W941 D942R934-G938 PolarHBondContact O-N 2.66Å; E935-G938 PolarHBondContact O-N 3.36Å; G938-K940 VanDerWaalsContact C-N 3.28Å; G938-K940 PolarHBondContact O-N 3.03Å; G938-W941 CarbonylContact O-C 3.53Å; G938-W941 WeakPolarHBondContact O-CA 3.45Å; G938-W941 VanDerWaalsContact O-CB 3.3Å; G938-W941 WeakPolarHBondContact O-CB 3.39Å; G938-W941 PolarHBondContact O-N 3.27Å; G938-D942 PolarHBondContact O-N 3.08Å
939R76.1Confident74.7Confident151 Ų15198.6 Ų98.657%0.5750%0.497SS*.Hα-helixtrans-57.2-39.3178.3-65.6176.4-157.1-154.58.7112.2E935 D942 E943E935-R939 WeakPolarHBondContact O-CG 3.45Å; E935-R939 PolarHBondContact O-N 3.06Å; E935-R939 IonicContact OE2-CZ 3.41Å; E935-R939 IonicContact OE2-NE 2.71Å; E935-R939 IonicContact OE2-NH2 3.95Å; E935-R939 PolarHBondContact OE2-NH2 2.95Å; R939-D942 PolarHBondContact O-N 3.38Å; R939-E943 WeakPolarHBondContact O-CB 3.34Å; R939-E943 VanDerWaalsContact O-CG 3.28Å; R939-E943 WeakPolarHBondContact O-CG 3.28Å; R939-E943 PolarHBondContact O-N 2.89Å
940K70.4Confident74.6Confident125 Ų12598.8 Ų98.854%0.54350%0.495SS..Hα-helixtrans-67.5-32.3173.5-76.9-178.8176.6-1740113.5V936 G938 V944V936-K940 HydrophobicContact CG1-CD 4.32Å; V936-K940 WeakPolarHBondContact O-CB 3.46Å; V936-K940 VanDerWaalsContact O-CG 3.31Å; V936-K940 WeakPolarHBondContact O-CG 3.38Å; V936-K940 PolarHBondContact O-N 2.81Å; V936-K940 VanDerWaalsContact O-N 3.09Å; G938-K940 VanDerWaalsContact C-N 3.28Å; G938-K940 PolarHBondContact O-N 3.03Å; K940-V944 WeakPolarHBondContact O-CB 3.36Å; K940-V944 VanDerWaalsContact O-CG2 3.23Å; K940-V944 WeakPolarHBondContact O-CG2 3.38Å; K940-V944 PolarHBondContact O-N 2.9Å
941W67.9Low74.4Confident173 Ų173101.9 Ų101.966%0.65551%0.505SS*.Hα-helixtrans-67.7-42.5171.2-103.9101.8000111.6A937 G938 V944 M945A937-W941 PolarHBondContact O-N 3.16Å; G938-W941 CarbonylContact O-C 3.53Å; G938-W941 WeakPolarHBondContact O-CA 3.45Å; G938-W941 VanDerWaalsContact O-CB 3.3Å; G938-W941 WeakPolarHBondContact O-CB 3.39Å; G938-W941 PolarHBondContact O-N 3.27Å; W941-V944 PolarHBondContact O-N 3.3Å; W941-M945 HydrophobicContact CE3-CG 3.99Å; W941-M945 HydrophobicContact CE3-SD 4.42Å; W941-M945 HydrophobicContact CZ3-CG 4.33Å; W941-M945 HydrophobicContact CZ3-SD 4.16Å; W941-M945 WeakPolarHBondContact O-CB 3.46Å; W941-M945 VanDerWaalsContact O-CG 3.26Å; W941-M945 WeakPolarHBondContact O-CG 3.46Å; W941-M945 PolarHBondContact O-N 3.22Å
942D73.9Confident73.9Confident100 Ų100102 Ų10254%0.53551%0.506SS..Hα-helixtrans-64.9-43.2176.1-61.7-36.7000111.4G938 R939 M945 N946G938-D942 PolarHBondContact O-N 3.08Å; R939-D942 PolarHBondContact O-N 3.38Å; D942-M945 PolarHBondContact O-N 2.95Å; D942-N946 WeakPolarHBondContact O-CB 3.44Å; D942-N946 PolarHBondContact O-N 2.95Å; D942-N946 PolarHBondContact O-ND2 2.85Å
943E73.3Confident73.3Confident119 Ų119105.4 Ų105.456%0.55652%0.517SS*.Hα-helixtrans-56.3-50.3171.5-76.4167.2-177.500111.4R939 M945 N946 S947R939-E943 WeakPolarHBondContact O-CB 3.34Å; R939-E943 VanDerWaalsContact O-CG 3.28Å; R939-E943 WeakPolarHBondContact O-CG 3.28Å; R939-E943 PolarHBondContact O-N 2.89Å; E943-M945 VanDerWaalsContact C-N 3.34Å; E943-M945 PolarHBondContact O-N 3.13Å; E943-N946 PolarHBondContact O-N 3.41Å; E943-S947 PolarHBondContact O-N 2.94Å; E943-S947 PolarHBondContact O-OG 3.35Å
944V73.9Confident72.9Confident91 Ų91104.8 Ų104.855%0.55251%0.513SS*.Hα-helixtrans-64.2-37178.7166.20000112.2K940 W941 R948K940-V944 WeakPolarHBondContact O-CB 3.36Å; K940-V944 VanDerWaalsContact O-CG2 3.23Å; K940-V944 WeakPolarHBondContact O-CG2 3.38Å; K940-V944 PolarHBondContact O-N 2.9Å; W941-V944 PolarHBondContact O-N 3.3Å; V944-R948 WeakPolarHBondContact O-CB 3.36Å; V944-R948 PolarHBondContact O-N 2.98Å
945M72.2Confident72.4Confident90 Ų90105.9 Ų105.944%0.44352%0.517SS..Hα-helixtrans-70.8-38.6176.8-73.6-64-66.900112.1W941 D942 E943 R948 A949W941-M945 HydrophobicContact CE3-CG 3.99Å; W941-M945 HydrophobicContact CE3-SD 4.42Å; W941-M945 HydrophobicContact CZ3-CG 4.33Å; W941-M945 HydrophobicContact CZ3-SD 4.16Å; W941-M945 WeakPolarHBondContact O-CB 3.46Å; W941-M945 VanDerWaalsContact O-CG 3.26Å; W941-M945 WeakPolarHBondContact O-CG 3.46Å; W941-M945 PolarHBondContact O-N 3.22Å; D942-M945 PolarHBondContact O-N 2.95Å; E943-M945 VanDerWaalsContact C-N 3.34Å; E943-M945 PolarHBondContact O-N 3.13Å; M945-R948 PolarHBondContact O-N 2.64Å; M945-A949 PolarHBondContact O-N 2.93Å
946N74.9Confident71.6Confident100 Ų100107.9 Ų107.954%0.53553%0.529SS..Hα-helixtrans-66.4-49.4174-70.7-22.6000111.4D942 E943 R948 A949 E950D942-N946 WeakPolarHBondContact O-CB 3.44Å; D942-N946 PolarHBondContact O-N 2.95Å; D942-N946 PolarHBondContact O-ND2 2.85Å; E943-N946 PolarHBondContact O-N 3.41Å; N946-R948 PolarHBondContact O-N 3.34Å; N946-A949 WeakPolarHBondContact O-CB 3.25Å; N946-A949 PolarHBondContact O-N 3.35Å; N946-E950 WeakPolarHBondContact O-CG 3.35Å; N946-E950 PolarHBondContact O-N 3.16Å
947S70.3Confident70.8Confident61 Ų61106.9 Ų106.943%0.42753%0.529SS..Hα-helixtrans-59.8-31.2174.6-62.70000112.7E943 L951E943-S947 PolarHBondContact O-N 2.94Å; E943-S947 PolarHBondContact O-OG 3.35Å; S947-L951 WeakPolarHBondContact O-CB 3.39Å; S947-L951 WeakPolarHBondContact O-CD1 3.49Å; S947-L951 VanDerWaalsContact O-CG 3.29Å; S947-L951 WeakPolarHBondContact O-CG 3.25Å; S947-L951 PolarHBondContact O-N 3.12Å
948R70.5Confident70Confident154 Ų154114.5 Ų114.558%0.58155%0.547SS*.Hα-helixtrans-70.5-39.3173.1-178177.1179170.61.8112.2V944 M945 N946 L951 Q952V944-R948 WeakPolarHBondContact O-CB 3.36Å; V944-R948 PolarHBondContact O-N 2.98Å; M945-R948 PolarHBondContact O-N 2.64Å; N946-R948 PolarHBondContact O-N 3.34Å; R948-L951 PolarHBondContact O-N 3.15Å; R948-Q952 WeakPolarHBondContact O-CG 3.27Å; R948-Q952 PolarHBondContact O-N 2.87Å; R948-Q952 VanDerWaalsContact O-N 3.11Å
949A73.8Confident68.9Low47 Ų47117 Ų11739%0.38856%0.56SS.*Hα-helixtrans-64.8-47.317400000111.2M945 N946 L951 Q952 E953M945-A949 PolarHBondContact O-N 2.93Å; N946-A949 WeakPolarHBondContact O-CB 3.25Å; N946-A949 PolarHBondContact O-N 3.35Å; A949-L951 VanDerWaalsContact C-N 3.31Å; A949-L951 PolarHBondContact O-N 3.46Å; A949-Q952 CarbonylContact O-C 3.6Å; A949-Q952 WeakPolarHBondContact O-CA 3.22Å; A949-Q952 WeakPolarHBondContact O-CB 3.48Å; A949-Q952 PolarHBondContact O-N 3.28Å; A949-E953 PolarHBondContact O-N 3.45Å
950E74.1Confident67.9Low108 Ų108114.2 Ų114.251%0.50556%0.56SS.*Hα-helixtrans-55.9-43.3174.3-70.4173.1-17800111.9N946 Q952 E953 Q954N946-E950 WeakPolarHBondContact O-CG 3.35Å; N946-E950 PolarHBondContact O-N 3.16Å; E950-Q952 VanDerWaalsContact C-N 3.28Å; E950-Q952 PolarHBondContact O-N 3.09Å; E950-E953 PolarHBondContact O-N 3.22Å; E950-Q954 WeakPolarHBondContact O-CB 3.44Å; E950-Q954 VanDerWaalsContact O-CG 3.25Å; E950-Q954 WeakPolarHBondContact O-CG 3.32Å; E950-Q954 PolarHBondContact O-N 3.27Å
951L70.8Confident66.9Low106 Ų106110.9 Ų110.956%0.55556%0.556SS**Hα-helixtrans-66.7-25.2174.8-78.9168.2000113.7S947 R948 A949 R955S947-L951 WeakPolarHBondContact O-CB 3.39Å; S947-L951 WeakPolarHBondContact O-CD1 3.49Å; S947-L951 VanDerWaalsContact O-CG 3.29Å; S947-L951 WeakPolarHBondContact O-CG 3.25Å; S947-L951 PolarHBondContact O-N 3.12Å; R948-L951 PolarHBondContact O-N 3.15Å; A949-L951 VanDerWaalsContact C-N 3.31Å; A949-L951 PolarHBondContact O-N 3.46Å; L951-R955 WeakPolarHBondContact O-CB 3.38Å; L951-R955 WeakPolarHBondContact O-CG 3.26Å; L951-R955 PolarHBondContact O-N 3.08Å
952Q68.6Low65.9Low111 Ų111109.5 Ų109.552%0.51956%0.561SS.*Hα-helixtrans-78.7-41172.9-72.4-179.3-103.100111.4R948 A949 E950 R955 L956R948-Q952 WeakPolarHBondContact O-CG 3.27Å; R948-Q952 PolarHBondContact O-N 2.87Å; R948-Q952 VanDerWaalsContact O-N 3.11Å; A949-Q952 CarbonylContact O-C 3.6Å; A949-Q952 WeakPolarHBondContact O-CA 3.22Å; A949-Q952 WeakPolarHBondContact O-CB 3.48Å; A949-Q952 PolarHBondContact O-N 3.28Å; E950-Q952 VanDerWaalsContact C-N 3.28Å; E950-Q952 PolarHBondContact O-N 3.09Å; Q952-R955 PolarHBondContact O-N 2.82Å; Q952-L956 WeakPolarHBondContact O-CG 3.46Å; Q952-L956 PolarHBondContact O-N 2.6Å
953E71.4Confident64.6Low140 Ų140110.2 Ų110.265%0.65457%0.569SS**Hα-helixtrans-64.8-43.3173.5-68-168.4157.900112A949 E950 R955 L956 A957A949-E953 PolarHBondContact O-N 3.45Å; E950-E953 PolarHBondContact O-N 3.22Å; E953-R955 VanDerWaalsContact C-N 3.29Å; E953-R955 PolarHBondContact O-N 3.27Å; E953-L956 PolarHBondContact O-N 3.39Å; E953-L956 VanDerWaalsContact O-N 3.11Å; E953-A957 WeakPolarHBondContact O-CB 3.4Å; E953-A957 PolarHBondContact O-N 3.37Å
954Q66.8Low63.3Low114 Ų114110 Ų11053%0.53358%0.576SS.*Hα-helixtrans-60.7-36.6174.3-72.7174.324.900112.2E950 A957 W958E950-Q954 WeakPolarHBondContact O-CB 3.44Å; E950-Q954 VanDerWaalsContact O-CG 3.25Å; E950-Q954 WeakPolarHBondContact O-CG 3.32Å; E950-Q954 PolarHBondContact O-N 3.27Å; Q954-A957 PolarHBondContact O-N 3.24Å; Q954-W958 PolarHBondContact O-N 3.32Å
955R64Low61.7Low201 Ų201114.4 Ų114.476%0.75859%0.588SS**Hα-helixtrans-66-40.2172.4-88.9-178.3165.9-173.4-3112.8L951 Q952 E953 W958 S959L951-R955 WeakPolarHBondContact O-CB 3.38Å; L951-R955 WeakPolarHBondContact O-CG 3.26Å; L951-R955 PolarHBondContact O-N 3.08Å; Q952-R955 PolarHBondContact O-N 2.82Å; E953-R955 VanDerWaalsContact C-N 3.29Å; E953-R955 PolarHBondContact O-N 3.27Å; R955-W958 PolarHBondContact O-N 3.41Å; R955-S959 WeakPolarHBondContact O-CB 3.21Å; R955-S959 PolarHBondContact O-N 3.3Å
956L63.8Low59.8Low118 Ų118119.3 Ų119.362%0.61861%0.61SS**Hα-helixtrans-66.8-38.4175.5-70.3165.9000111.3Q952 E953 S959 T960Q952-L956 WeakPolarHBondContact O-CG 3.46Å; Q952-L956 PolarHBondContact O-N 2.6Å; E953-L956 PolarHBondContact O-N 3.39Å; E953-L956 VanDerWaalsContact O-N 3.11Å; L956-S959 WeakPolarHBondContact O-CB 3.28Å; L956-S959 PolarHBondContact O-N 3.29Å; L956-T960 PolarHBondContact O-N 3.23Å; L956-T960 VanDerWaalsContact O-N 3.12Å; L956-T960 PolarHBondContact O-OG1 2.79Å
957A59.9Low57.9Low55 Ų55120 Ų12046%0.45562%0.619SS.*Hα-helixtrans-67.4-37.7174.500000113.2E953 Q954 T960 A961E953-A957 WeakPolarHBondContact O-CB 3.4Å; E953-A957 PolarHBondContact O-N 3.37Å; Q954-A957 PolarHBondContact O-N 3.24Å; A957-T960 PolarHBondContact O-N 3.31Å; A957-T960 PolarHBondContact O-OG1 2.93Å; A957-A961 WeakPolarHBondContact O-CB 3.23Å; A957-A961 PolarHBondContact O-N 3.02Å
958W54.4Low56Low210 Ų210123.5 Ų123.580%0.79563%0.632SS**Hα-helixtrans-65.4-41169.4-92.418.9000111.9Q954 R955 T960 A961 D962Q954-W958 PolarHBondContact O-N 3.32Å; R955-W958 PolarHBondContact O-N 3.41Å; W958-T960 PolarHBondContact O-N 3.15Å; W958-A961 PolarHBondContact O-N 3.04Å; W958-A961 VanDerWaalsContact O-N 3.13Å; W958-D962 PolarHBondContact O-N 2.86Å; W958-D962 VanDerWaalsContact O-N 3.17Å
959S56Low53.9Low83 Ų83124.2 Ų124.258%0.5865%0.648SS**Hα-helixtrans-63.2-23177.7-170.70000113.9R955 L956R955-S959 WeakPolarHBondContact O-CB 3.21Å; R955-S959 PolarHBondContact O-N 3.3Å; L956-S959 WeakPolarHBondContact O-CB 3.28Å; L956-S959 PolarHBondContact O-N 3.29Å
960T54.9Low51.7Low92 Ų92128.7 Ų128.756%0.56467%0.665SS**Hα-helixtrans-97.9-15.8174.154.20000113.5L956 A957 W958 T963L956-T960 PolarHBondContact O-N 3.23Å; L956-T960 VanDerWaalsContact O-N 3.12Å; L956-T960 PolarHBondContact O-OG1 2.79Å; A957-T960 PolarHBondContact O-N 3.31Å; A957-T960 PolarHBondContact O-OG1 2.93Å; W958-T960 PolarHBondContact O-N 3.15Å; T960-T963 PolarHBondContact O-OG1 3.19Å; T960-T963 VanDerWaalsContact O-OG1 3.07Å
961A49Very low50.4Low56 Ų56128.9 Ų128.946%0.46368%0.675SS.*Hα-helixtrans-76.8-39.2173.100000112.6A957 W958 T963 V964A957-A961 WeakPolarHBondContact O-CB 3.23Å; A957-A961 PolarHBondContact O-N 3.02Å; W958-A961 PolarHBondContact O-N 3.04Å; W958-A961 VanDerWaalsContact O-N 3.13Å; A961-T963 PolarHBondContact O-N 3.42Å; A961-V964 PolarHBondContact O-N 3.22Å
962D46.8Very low48.3Very low143 Ų143130.7 Ų130.777%0.76568%0.681SS**THydrogen-bonded Turntrans-69-18.7-178.8-100.3-11.4000113.6W958 V964W958-D962 PolarHBondContact O-N 2.86Å; W958-D962 VanDerWaalsContact O-N 3.17Å; D962-V964 VanDerWaalsContact C-N 3.3Å; D962-V964 PolarHBondContact O-N 3.29Å
963T46.8Very low46.5Very low115 Ų115133.3 Ų133.371%0.70669%0.691SS**THydrogen-bonded Turntrans-79.1-4.1173.537.50000114.3T960 A961T960-T963 PolarHBondContact O-OG1 3.19Å; T960-T963 VanDerWaalsContact O-OG1 3.07Å; A961-T963 PolarHBondContact O-N 3.42Å
964V46.4Very low44.6Very low116 Ų116131 Ų13170%0.70370%0.695SS**  trans-114.550.6-173.4-164.10000112.7A961 D962A961-V964 PolarHBondContact O-N 3.22Å; D962-V964 VanDerWaalsContact C-N 3.3Å; D962-V964 PolarHBondContact O-N 3.29Å
965K39.5Very low42.9Very low182 Ų182130 Ų13079%0.79171%0.706SS**  trans-140.158.5172.2-74.5-168.9-179.51660115.9
966Q32.7Very low41.3Very low194 Ų194131.9 Ų131.991%0.90771%0.713SS**  trans-159.5133146.8-118.5168.64900112.7
967P36.4Very low39.6Very low114 Ų114135.4 Ų135.474%0.7472%0.724SS**  trans-96.8132.2-178.935.1-32.2000114.1
968L29.1Very low38.7Very low134 Ų134138.9 Ų138.970%0.70274%0.742SS**  trans42.1122.5133.2-68.5155.1000120.2L970L968-L970 HydrophobicContact CD2-CD1 3.8Å; L968-L970 HydrophobicContact CD2-CG 4.14Å
969N27.5Very low38.3Very low170 Ų170134.7 Ų134.791%0.90974%0.742SS**  -146.1151.1111.4-106.6-34000112.1
970L27.7Very low37Very low141 Ų141136.5 Ų136.574%0.73875%0.749SS**  trans-117.3-172.8-171.4-78.9164.2000109.4L968L968-L970 HydrophobicContact CD2-CD1 3.8Å; L968-L970 HydrophobicContact CD2-CG 4.14Å
971P45.4Very low35.7Very low112 Ų112139.3 Ų139.373%0.72776%0.759SS**  cis-119.2-152-7.746.5-33.4000110.4
972E27Very low34.7Very low143 Ų143140.9 Ų140.967%0.66877%0.767SS**  cis-146.9176.3-6.7-98.4-152.9149.600104.3
973K31.4Very low33.7Very low167 Ų167141.2 Ų141.273%0.72677%0.769SS**  cis-167.9167.5-8.8-109.6-178.5-176.3126.80102.9
974A31.1Very low32.9Very low90 Ų90144.3 Ų144.374%0.74478%0.779SS**  cis-167.5173.4-22.300000104.8
975A31.6Very low32.1Very low93 Ų93146.6 Ų146.677%0.76979%0.787SS**  cis-141.3-138.27.900000107.7
976R29.5Very low31.4Very low241 Ų241141.3 Ų141.391%0.90979%0.785SS**  cis-134.8-106.30.8-149.6174.5-1641794.5110.7
977K29.2Very low31.1Very low193 Ų193139.1 Ų139.184%0.83978%0.775SS**  trans-159147.5179.5-63.5-173.2179.9-177.80113.4
978P39.3Very low30.7Very low128 Ų128140.9 Ų140.983%0.83177%0.771SS**  trans-125.4156.5139.138.7-29.8000112.1
979P46.2Very low30.6Very low122 Ų122143.3 Ų143.379%0.79278%0.776SS**  trans-145.1175.8150.747.1-33000110.9
980V29.8Very low30.5Very low120 Ų120142.1 Ų142.173%0.72777%0.769SS**  cis-165.5156.9591.30000111.8
981L28.2Very low30.4Very low151 Ų151143.1 Ų143.179%0.79177%0.769SS**  trans59.9156.1158.5-68174000120.1
982S26.7Very low29.4Very low90 Ų90144.9 Ų144.963%0.62977%0.772SS**  cis-158.3154.7-434.90000113.1
983D27.1Very low29.3Very low149 Ų149145.1 Ų145.180%0.79777%0.773SS**  trans51.7116.5144.8-53.5-11000122.6
984I30Very low29Very low180 Ų180143.4 Ų143.492%0.92377%0.771SS**  trans-134.8129.1139-60.1-178.6000108.1
985N28.6Very low28.7Very low164 Ų164144.9 Ų144.988%0.87777%0.772SS**  trans-150.4138168.5-168.712000108.7
986G25.4Very low28.3Very low72 Ų72145 Ų14574%0.74277%0.766SS**  trans164.8114.2-177.300000114.6
987E26.4Very low28.3Very low147 Ų147138.9 Ų138.969%0.68776%0.756SS**  trans-91.1-178.8177.7-48.516474.400113.5
988K27.8Very low28.2Very low152 Ų152139 Ų13966%0.66176%0.757SS**  trans88121.9137.1-84.2157.5-177.4147.80121.2
989K27.3Very low27.6Very low184 Ų184136.2 Ų136.280%0.875%0.751SS**  51.2115.9128.1-68.5-174174.8-174.80120.6
990L25Very low26.6Very low146 Ų146136.6 Ų136.676%0.76475%0.751SS**  33.3120.4117.7-77.1168.6000120.3
991H25.2Very low26.6Very low162 Ų162137.7 Ų137.775%0.7575%0.753SS**  93.6138.6129.1-95.423.5000121.6
992L25Very low26.5Very low148 Ų148137 Ų13778%0.77576%0.755SS**  trans69.3141.8166.1-58159.2000114.3
993Q25.2Very low26.6Very low148 Ų148136.7 Ų136.769%0.69276%0.758SS**  cis-159.6149.2-0.1-141.3176.722.300110.3
994N24Very low26.6Very low131 Ų131136.2 Ų136.270%0.70176%0.76SS**  trans61.4160158.6-61.5-21.3000117
995T24.6Very low26.7Very low122 Ų122131.5 Ų131.575%0.74875%0.748SS**  cis-148.2171.9-3.7-9.50000109.8
996S24.9Very low26.6Very low94 Ų94135.8 Ų135.866%0.65775%0.752SS**  trans-4.1147.3159.262.60000119.9
997T28.2Very low26.7Very low114 Ų114136.9 Ų136.970%0.69975%0.748SS**  cis-165.817148.3-19.80000113.7
998K28.5Very low26.8Very low196 Ų196135.1 Ų135.185%0.85275%0.752SS**  trans-15.5145154.2-54.3158.5-173.61790115.9
999G24.8Very low26.8Very low69 Ų69132.5 Ų132.571%0.71176%0.759SS**  cis130.8163.71.800000113.2
1000V27.1Very low27.1Very low130 Ų130128.3 Ų128.379%0.78876%0.759SS**  trans77.6121.9168.3-173.90000118.3
1001N27.9Very low27.9Very low143 Ų143127.4 Ų127.477%0.76576%0.762SS**  trans17.5149.5136.8-44-16000119.6
1002T26.6Very low28.1Very low136 Ų136127.5 Ų127.583%0.83476%0.763SS**  cis-154.1164.247.946.50000117.1
1003A29.1Very low28.1Very low84 Ų84131.3 Ų131.369%0.69477%0.767SS**  trans-33.9163.8162.900000117.8
1004T27.7Very low28.3Very low138 Ų138133 Ų13385%0.84777%0.774SS**  -165.8178.152.247.20000111.7
1005A30.8Very low28.4Very low81 Ų81135.6 Ų135.667%0.66978%0.782SS**  cis-176.2168.3-39.900000110.1
1006R27.1Very low28.5Very low255 Ų255134.7 Ų134.796%0.96278%0.781SS**  trans72.5150.4179.7-52.5177175.1179.3-2.2114.2
1007S27.2Very low28.5Very low94 Ų94134.3 Ų134.366%0.65778%0.784SS**  cis-148.7129.6-1.6155.80000107.1
1008S28.9Very low28.3Very low110 Ų110134 Ų13477%0.76979%0.786SS**  60.7140.685.4107.80000115
1009A28.6Very low28.1Very low97 Ų97132.9 Ų132.980%0.80279%0.786SS**  cis-153.41729.500000113.6
1010A32.7Very low28.2Very low96 Ų96135.2 Ų135.279%0.79379%0.786SS**  trans-149.4158.5165.900000109.7
1011P42Very low28Very low128 Ų128134.1 Ų134.183%0.83178%0.783SS**  trans-111.5159.1169.729.4-14.1000114.5
1012Q28.5Very low27.8Very low164 Ų164134.7 Ų134.777%0.76679%0.785SS**  trans-83.9-176.1174-54.2170.8-27.800109.6
1013R26Very low27.9Very low228 Ų228135.1 Ų135.186%0.8678%0.782SS**  cis-167.5167.443.1-127.2166.9-145.5-167.52.2111.5
1014Q29Very low27.9Very low182 Ų182136 Ų13685%0.8578%0.783SS**  trans-94.4154168.8-58.7166.4-8800110.3
1015E27.1Very low27.8Very low187 Ų187136.1 Ų136.187%0.87478%0.784SS**  -168.8149.6129.1-111.1164.7-162.600115.6
1016S24.8Very low27.7Very low103 Ų103137.7 Ų137.772%0.7279%0.79SS**  trans16.6138158.263.10000126
1017A25.8Very low28.6Very low86 Ų86131.2 Ų131.271%0.71178%0.781SS**  80.895.7126.300000123.6
1018S24.6Very low28.6Very low106 Ų106132.8 Ų132.874%0.74179%0.792SS**  58.5124.8118.671.40000124.8
1019M24.2Very low28.6Very low173 Ų173131.1 Ų131.185%0.85279%0.793SS**  trans98.8148.2130.3-136.2-165.5-70.400121.7
1020V25.6Very low28.6Very low119 Ų119132.6 Ų132.672%0.72180%0.797SS**  trans76.9150.2160.6-133.90000120.7
1021C22.9Very low28.4Very low107 Ų107133.8 Ų133.872%0.72380%0.799SS**  trans71.9139.1168-64.70000117.2
1022L24.3Very low27.8Very low154 Ų154133.2 Ų133.281%0.80680%0.798SS**  cis123.91348.8-89.8169.8000110
1023N29.2Very low28.2Very low145 Ų145132 Ų13278%0.77580%0.802SS**  trans-44.8146.4-177.3-46.2-31.2000113.5
1024S27.7Very low28.3Very low103 Ų103126.5 Ų126.572%0.7280%0.799SS**  170152.366.344.40000111.6
1025T25.7Very low28.5Very low140 Ų140127 Ų12786%0.85980%0.799SS**  175.6155.3129.228.90000111.1
1026S30.1Very low28.7Very low114 Ų114121.8 Ų121.880%0.79778%0.783SS**  trans-138.6-172.4175.7-53.30000106.6
1027P45.4Very low29.6Very low120 Ų120123.3 Ų123.378%0.77978%0.782SS**  cis-1391630.640.9-23000117
1028S28.3Very low30.4Very low126 Ų126124.7 Ų124.788%0.88178%0.778SS**  trans176.3154.1144.141.90000109.7
1029G27.5Very low31.2Very low76 Ų76129.6 Ų129.678%0.78478%0.78SS**  cis17523.1-2.500000117.3
1030S28.3Very low32.1Very low127 Ų127123 Ų12389%0.88876%0.757SS**  trans-155.5147.6173.256.70000112.2
1031S28.3Very low33.3Very low121 Ų121125.6 Ų125.685%0.84675%0.753SS**  trans-131.8109.5-17158.80000113
1032S29.4Very low34.7Very low116 Ų116123.5 Ų123.581%0.81174%0.744SS**  trans-123.1132.2158.654.60000108.5S1034S1032-S1034 PolarHBondContact O-N 2.67Å
1033T37.4Very low36.2Very low138 Ų138122.1 Ų122.185%0.84774%0.737SS**  trans-88.3102.3-161.848.80000113.2
1034S29.6Very low37.6Very low114 Ų114121 Ų12180%0.79773%0.73SS**  trans-107.4104.7160.251.30000110.3S1032 S1036S1032-S1034 PolarHBondContact O-N 2.67Å; S1034-S1036 PolarHBondContact O-N 2.68Å; S1034-S1036 VanDerWaalsContact O-N 3.16Å
1035F31.5Very low39.4Very low191 Ų191119.5 Ų119.584%0.83871%0.714SS**  trans-73.6105.1177.6-113.2-94.9000110.1L1037F1035-L1037 PolarHBondContact O-N 2.92Å; F1035-L1037 VanDerWaalsContact O-N 3.11Å
1036S32.2Very low41.4Very low78 Ų78115.4 Ų115.455%0.54569%0.691SS.*  trans-69.9104.7172.8178.40000110.3S1034 D1038 R1039S1034-S1036 PolarHBondContact O-N 2.68Å; S1034-S1036 VanDerWaalsContact O-N 3.16Å; S1036-D1038 PolarHBondContact O-N 3.16Å; S1036-R1039 PolarHBondContact O-N 2.95Å
1037L42.6Very low43Very low135 Ų135112.6 Ų112.671%0.70767%0.671SS**Hα-helixtrans-61.8-26.6-172.5-74.2164.8000114F1035 G1040 R1041F1035-L1037 PolarHBondContact O-N 2.92Å; F1035-L1037 VanDerWaalsContact O-N 3.11Å; L1037-G1040 PolarHBondContact O-N 3.4Å; L1037-R1041 PolarHBondContact O-N 3.45Å; L1037-R1041 VanDerWaalsContact O-N 3.14Å
1038D44.5Very low44.4Very low116 Ų116112.6 Ų112.662%0.6266%0.661SS**Hα-helixtrans-71.1-33.2-175.1-61.7-51.6000113.4S1036 G1040 A1042S1036-D1038 PolarHBondContact O-N 3.16Å; D1038-G1040 VanDerWaalsContact C-N 3.34Å; D1038-A1042 PolarHBondContact O-N 2.95Å
1039R41.3Very low46.8Very low208 Ų208114.6 Ų114.679%0.78565%0.649SS**Hα-helixtrans-70.3-31.6172.4-78.6-171.1173.1-172.8-1.3112.4S1036S1036-R1039 PolarHBondContact O-N 2.95Å
1040G42.1Very low49.3Very low35 Ų35117.3 Ų117.336%0.36164%0.642SS.*Hα-helixtrans-65.8-44.5174.900000112.2L1037 D1038 L1043 L1044L1037-G1040 PolarHBondContact O-N 3.4Å; D1038-G1040 VanDerWaalsContact C-N 3.34Å; G1040-L1043 PolarHBondContact O-N 3.26Å; G1040-L1044 WeakPolarHBondContact O-CG 3.48Å; G1040-L1044 PolarHBondContact O-N 3.07Å; G1040-L1044 VanDerWaalsContact O-N 3.09Å
1041R50.3Low51.8Low173 Ų173115.5 Ų115.565%0.65362%0.622SS**Hα-helixtrans-59.7-47.6177.4-81.4-177.9167.4161.6-2.7112.8L1037 L1043 L1044 D1045L1037-R1041 PolarHBondContact O-N 3.45Å; L1037-R1041 VanDerWaalsContact O-N 3.14Å; R1041-L1043 VanDerWaalsContact C-N 3.26Å; R1041-L1043 PolarHBondContact O-N 3.25Å; R1041-L1044 PolarHBondContact O-N 3.11Å; R1041-L1044 VanDerWaalsContact O-N 3.17Å; R1041-D1045 WeakPolarHBondContact O-CB 3.27Å; R1041-D1045 PolarHBondContact O-N 3.21Å
1042A53.8Low54Low64 Ų64114 Ų11453%0.52960%0.604SS.*Hα-helixtrans-58.2-36.5-17900000113.6D1038 S1046D1038-A1042 PolarHBondContact O-N 2.95Å; A1042-S1046 PolarHBondContact O-N 2.78Å; A1042-S1046 VanDerWaalsContact O-N 3.13Å; A1042-S1046 PolarHBondContact O-OG 3.04Å
1043L54.7Low56.7Low124 Ų124114.7 Ų114.765%0.64959%0.592SS**Hα-helixtrans-76-36177.7-74.5166.7000113G1040 R1041 S1046 S1047G1040-L1043 PolarHBondContact O-N 3.26Å; R1041-L1043 VanDerWaalsContact C-N 3.26Å; R1041-L1043 PolarHBondContact O-N 3.25Å; L1043-S1046 WeakPolarHBondContact CA-OG 3.42Å; L1043-S1046 PolarHBondContact O-N 3.04Å; L1043-S1046 PolarHBondContact O-OG 2.8Å; L1043-S1047 WeakPolarHBondContact O-CB 3.43Å; L1043-S1047 PolarHBondContact O-N 2.65Å
1044L59.3Low58.7Low123 Ų123113.8 Ų113.864%0.64458%0.578SS**Hα-helixtrans-66.9-43.3172.4-70.4168.3000110.9G1040 R1041 S1046 S1047 E1048G1040-L1044 WeakPolarHBondContact O-CG 3.48Å; G1040-L1044 PolarHBondContact O-N 3.07Å; G1040-L1044 VanDerWaalsContact O-N 3.09Å; R1041-L1044 PolarHBondContact O-N 3.11Å; R1041-L1044 VanDerWaalsContact O-N 3.17Å; L1044-S1046 VanDerWaalsContact C-N 3.34Å; L1044-S1046 PolarHBondContact O-N 2.93Å; L1044-S1047 PolarHBondContact O-N 2.85Å; L1044-E1048 WeakPolarHBondContact O-CB 3.29Å; L1044-E1048 PolarHBondContact O-N 2.77Å
1045D65.8Low61.2Low70 Ų70111.8 Ų111.837%0.37456%0.558SS.*Hα-helixtrans-57.8-41.2173.8-10268.9000112.5R1041 R1049R1041-D1045 WeakPolarHBondContact O-CB 3.27Å; R1041-D1045 PolarHBondContact O-N 3.21Å; D1045-R1049 WeakPolarHBondContact O-CD 3.4Å; D1045-R1049 WeakPolarHBondContact O-CG 3.37Å; D1045-R1049 PolarHBondContact O-N 3.38Å; D1045-R1049 PolarHBondContact O-NE 3.12Å; D1045-R1049 VanDerWaalsContact O-NE 3.17Å; D1045-R1049 IonicContact OD2-CZ 3.98Å; D1045-R1049 IonicContact OD2-NE 2.67Å; D1045-R1049 IonicContact OD2-NH2 3.16Å; D1045-R1049 PolarHBondContact OD2-NH2 3.06Å
1046S67.1Low63.6Low54 Ų54111.7 Ų111.738%0.37855%0.552SS.*Hα-helixtrans-70.4-43175.252.90000111.9A1042 L1043 L1044 R1049 E1050A1042-S1046 PolarHBondContact O-N 2.78Å; A1042-S1046 VanDerWaalsContact O-N 3.13Å; A1042-S1046 PolarHBondContact O-OG 3.04Å; L1043-S1046 WeakPolarHBondContact CA-OG 3.42Å; L1043-S1046 PolarHBondContact O-N 3.04Å; L1043-S1046 PolarHBondContact O-OG 2.8Å; L1044-S1046 VanDerWaalsContact C-N 3.34Å; L1044-S1046 PolarHBondContact O-N 2.93Å; S1046-R1049 PolarHBondContact O-N 2.83Å; S1046-E1050 PolarHBondContact O-N 3.2Å
1047S64.4Low66.1Low55 Ų55111.3 Ų111.339%0.38554%0.542SS..Hα-helixtrans-66.1-38.8-179.7-169.30000112.3L1043 L1044 E1050 L1051L1043-S1047 WeakPolarHBondContact O-CB 3.43Å; L1043-S1047 PolarHBondContact O-N 2.65Å; L1044-S1047 PolarHBondContact O-N 2.85Å; S1047-E1050 PolarHBondContact O-N 3.24Å; S1047-L1051 WeakPolarHBondContact O-CB 3.16Å; S1047-L1051 WeakPolarHBondContact O-CG 3.43Å; S1047-L1051 PolarHBondContact O-N 2.85Å
1048E72.9Confident68Low121 Ų121109.8 Ų109.857%0.56553%0.534SS*.Hα-helixtrans-64.2-40.3173.4-174.3178.5-164.800111.3L1044 L1051 L1052L1044-E1048 WeakPolarHBondContact O-CB 3.29Å; L1044-E1048 PolarHBondContact O-N 2.77Å; E1048-L1051 PolarHBondContact O-N 3.28Å; E1048-L1052 HydrophobicContact CG-CD1 3.93Å; E1048-L1052 HydrophobicContact CG-CG 4.34Å; E1048-L1052 VanDerWaalsContact O-CB 3.29Å; E1048-L1052 WeakPolarHBondContact O-CB 3.18Å; E1048-L1052 WeakPolarHBondContact O-CG 3.26Å; E1048-L1052 PolarHBondContact O-N 3.06Å
1049R79Confident69.4Low167 Ų167112.8 Ų112.863%0.6354%0.536SS*.Hα-helixtrans-66.2-36.8176.4-69.1165.1-154-162.96.8112.3D1045 S1046 K1053D1045-R1049 WeakPolarHBondContact O-CD 3.4Å; D1045-R1049 WeakPolarHBondContact O-CG 3.37Å; D1045-R1049 PolarHBondContact O-N 3.38Å; D1045-R1049 PolarHBondContact O-NE 3.12Å; D1045-R1049 VanDerWaalsContact O-NE 3.17Å; D1045-R1049 IonicContact OD2-CZ 3.98Å; D1045-R1049 IonicContact OD2-NE 2.67Å; D1045-R1049 IonicContact OD2-NH2 3.16Å; D1045-R1049 PolarHBondContact OD2-NH2 3.06Å; S1046-R1049 PolarHBondContact O-N 2.83Å; R1049-K1053 WeakPolarHBondContact O-CB 3.46Å; R1049-K1053 PolarHBondContact O-N 2.93Å
1050E80.5Confident71.2Confident133 Ų133109.7 Ų109.762%0.62153%0.531SS*.Hα-helixtrans-67.3-48.7172.5-81.8-178.8140.500111.7S1046 S1047 L1052 K1053 E1054S1046-E1050 PolarHBondContact O-N 3.2Å; S1047-E1050 PolarHBondContact O-N 3.24Å; E1050-L1052 VanDerWaalsContact C-N 3.31Å; E1050-L1052 PolarHBondContact O-N 3.47Å; E1050-K1053 CarbonylContact O-C 3.59Å; E1050-K1053 WeakPolarHBondContact O-CA 3.47Å; E1050-K1053 WeakPolarHBondContact O-CB 3.49Å; E1050-K1053 PolarHBondContact O-N 2.92Å; E1050-E1054 PolarHBondContact O-N 3.07Å
1051L80.2Confident73.1Confident90 Ų90114.2 Ų114.247%0.47154%0.54SS..Hα-helixtrans-57.6-41.4174.6-75.9165.6000112.2S1047 E1048 K1053 E1054 I1055S1047-L1051 WeakPolarHBondContact O-CB 3.16Å; S1047-L1051 WeakPolarHBondContact O-CG 3.43Å; S1047-L1051 PolarHBondContact O-N 2.85Å; E1048-L1051 PolarHBondContact O-N 3.28Å; L1051-K1053 VanDerWaalsContact C-N 3.28Å; L1051-K1053 PolarHBondContact O-N 2.73Å; L1051-E1054 PolarHBondContact O-N 3.09Å; L1051-I1055 VanDerWaalsContact O-CB 3.31Å; L1051-I1055 WeakPolarHBondContact O-CB 3.4Å; L1051-I1055 WeakPolarHBondContact O-CD1 3.43Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.37Å; L1051-I1055 PolarHBondContact O-N 3.25Å
1052L75.8Confident74.2Confident89 Ų89111.1 Ų111.147%0.46654%0.536SS..Hα-helixtrans-66.9-27.8175.1-74170.8000112.9E1048 E1050 R1056E1048-L1052 HydrophobicContact CG-CD1 3.93Å; E1048-L1052 HydrophobicContact CG-CG 4.34Å; E1048-L1052 VanDerWaalsContact O-CB 3.29Å; E1048-L1052 WeakPolarHBondContact O-CB 3.18Å; E1048-L1052 WeakPolarHBondContact O-CG 3.26Å; E1048-L1052 PolarHBondContact O-N 3.06Å; E1050-L1052 VanDerWaalsContact C-N 3.31Å; E1050-L1052 PolarHBondContact O-N 3.47Å; L1052-R1056 WeakPolarHBondContact O-CG 3.48Å; L1052-R1056 PolarHBondContact O-N 2.77Å
1053K85.1Confident75.1Confident131 Ų131110.4 Ų110.457%0.5753%0.531SS*.Hα-helixtrans-74.2-48.2171.7-173.5-170.1170.4-160.40110.8R1049 E1050 L1051 I1055 R1056 E1057R1049-K1053 WeakPolarHBondContact O-CB 3.46Å; R1049-K1053 PolarHBondContact O-N 2.93Å; E1050-K1053 CarbonylContact O-C 3.59Å; E1050-K1053 WeakPolarHBondContact O-CA 3.47Å; E1050-K1053 WeakPolarHBondContact O-CB 3.49Å; E1050-K1053 PolarHBondContact O-N 2.92Å; L1051-K1053 VanDerWaalsContact C-N 3.28Å; L1051-K1053 PolarHBondContact O-N 2.73Å; K1053-I1055 VanDerWaalsContact C-N 3.32Å; K1053-I1055 PolarHBondContact O-N 3.29Å; K1053-R1056 WeakPolarHBondContact O-CB 3.4Å; K1053-R1056 PolarHBondContact O-N 2.97Å; K1053-E1057 WeakPolarHBondContact CE-OE1 3.41Å; K1053-E1057 IonicContact NZ-OE1 2.74Å; K1053-E1057 PolarHBondContact O-N 3.09Å
1054E80.5Confident76.1Confident119 Ų119106.7 Ų106.756%0.55652%0.518SS*.Hα-helixtrans-58.1-43.2175.1-69.9-166.4146.100111.8E1050 L1051 R1056 E1057 L1058E1050-E1054 PolarHBondContact O-N 3.07Å; L1051-E1054 PolarHBondContact O-N 3.09Å; E1054-R1056 VanDerWaalsContact C-N 3.29Å; E1054-R1056 PolarHBondContact O-N 2.97Å; E1054-E1057 PolarHBondContact O-N 3.12Å; E1054-L1058 WeakPolarHBondContact O-CB 3.23Å; E1054-L1058 PolarHBondContact O-N 2.93Å
1055I81.7Confident76.6Confident72 Ų72109.6 Ų109.637%0.36952%0.52SS..Hα-helixtrans-62.7-34.8175.7-71.7164.4000111.4L1051 K1053 R1059L1051-I1055 VanDerWaalsContact O-CB 3.31Å; L1051-I1055 WeakPolarHBondContact O-CB 3.4Å; L1051-I1055 WeakPolarHBondContact O-CD1 3.43Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.37Å; L1051-I1055 PolarHBondContact O-N 3.25Å; K1053-I1055 VanDerWaalsContact C-N 3.32Å; K1053-I1055 PolarHBondContact O-N 3.29Å; I1055-R1059 WeakPolarHBondContact O-CB 3.37Å; I1055-R1059 WeakPolarHBondContact O-CD 3.27Å; I1055-R1059 WeakPolarHBondContact O-CG 3.15Å; I1055-R1059 PolarHBondContact O-N 3.16Å
1056R82.3Confident76.4Confident188 Ų188108.7 Ų108.771%0.70952%0.522SS*.Hα-helixtrans-68.7-44.1173.1-78.6174.3177.7-176.61.2111.7L1052 K1053 E1054 R1059 Q1060L1052-R1056 WeakPolarHBondContact O-CG 3.48Å; L1052-R1056 PolarHBondContact O-N 2.77Å; K1053-R1056 WeakPolarHBondContact O-CB 3.4Å; K1053-R1056 PolarHBondContact O-N 2.97Å; E1054-R1056 VanDerWaalsContact C-N 3.29Å; E1054-R1056 PolarHBondContact O-N 2.97Å; R1056-R1059 PolarHBondContact O-N 2.8Å; R1056-Q1060 PolarHBondContact O-N 3.42Å
1057E85.1Confident76.3Confident71 Ų71115.6 Ų115.633%0.33254%0.54SS..Hα-helixtrans-65.5-40.3176.5-71.8-171.8-151.100112.3K1053 E1054 Q1060 K1061K1053-E1057 WeakPolarHBondContact CE-OE1 3.41Å; K1053-E1057 IonicContact NZ-OE1 2.74Å; K1053-E1057 PolarHBondContact O-N 3.09Å; E1054-E1057 PolarHBondContact O-N 3.12Å; E1057-Q1060 PolarHBondContact O-N 3.45Å; E1057-K1061 WeakPolarHBondContact O-CB 3.23Å; E1057-K1061 WeakPolarHBondContact O-CD 3.39Å; E1057-K1061 VanDerWaalsContact O-CG 3.27Å; E1057-K1061 WeakPolarHBondContact O-CG 3.47Å; E1057-K1061 PolarHBondContact O-N 3.37Å; E1057-K1061 IonicContact OE2-NZ 2.64Å; E1057-K1061 PolarHBondContact OE2-NZ 3.31Å; E1057-K1061 VanDerWaalsContact OE2-NZ 3.15Å
1058L81.1Confident76.1Confident103 Ų103119.6 Ų119.654%0.53955%0.552SS.*Hα-helixtrans-61-43.9172.5-95.5161.3000111.5E1054 Q1060 K1061 L1062E1054-L1058 WeakPolarHBondContact O-CB 3.23Å; E1054-L1058 PolarHBondContact O-N 2.93Å; L1058-Q1060 VanDerWaalsContact C-N 3.35Å; L1058-Q1060 PolarHBondContact O-N 3.21Å; L1058-K1061 PolarHBondContact O-N 2.78Å; L1058-L1062 WeakPolarHBondContact O-CB 3.36Å; L1058-L1062 VanDerWaalsContact O-CG 3.27Å; L1058-L1062 WeakPolarHBondContact O-CG 3.29Å; L1058-L1062 PolarHBondContact O-N 3.47Å
1059R73.6Confident75.1Confident179 Ų179118.3 Ų118.368%0.67556%0.557SS**Hα-helixtrans-63.9-38175-74.8171.5-175.6-161.13.1112.2I1055 R1056 A1063I1055-R1059 WeakPolarHBondContact O-CB 3.37Å; I1055-R1059 WeakPolarHBondContact O-CD 3.27Å; I1055-R1059 WeakPolarHBondContact O-CG 3.15Å; I1055-R1059 PolarHBondContact O-N 3.16Å; R1056-R1059 PolarHBondContact O-N 2.8Å; R1059-A1063 VanDerWaalsContact O-CB 3.25Å; R1059-A1063 WeakPolarHBondContact O-CB 3.42Å; R1059-A1063 PolarHBondContact O-N 3.26Å
1060Q79.6Confident73.6Confident142 Ų142115.5 Ų115.566%0.66456%0.559SS**Hα-helixtrans-67.6-44.9173.4-76.7-177.8-27.800112.2R1056 E1057 L1058 L1062 A1063 A1064R1056-Q1060 PolarHBondContact O-N 3.42Å; E1057-Q1060 PolarHBondContact O-N 3.45Å; L1058-Q1060 VanDerWaalsContact C-N 3.35Å; L1058-Q1060 PolarHBondContact O-N 3.21Å; Q1060-L1062 PolarHBondContact O-N 3.04Å; Q1060-A1063 PolarHBondContact O-N 3.5Å; Q1060-A1064 WeakPolarHBondContact O-CB 3.28Å; Q1060-A1064 PolarHBondContact O-N 3.48Å
1061K81.7Confident71.7Confident130 Ų130113.7 Ų113.757%0.56556%0.561SS**Hα-helixtrans-61.8-41.4176.7-73.2162.1-177.21580111.5E1057 L1058 A1064 R1065E1057-K1061 WeakPolarHBondContact O-CB 3.23Å; E1057-K1061 WeakPolarHBondContact O-CD 3.39Å; E1057-K1061 VanDerWaalsContact O-CG 3.27Å; E1057-K1061 WeakPolarHBondContact O-CG 3.47Å; E1057-K1061 PolarHBondContact O-N 3.37Å; E1057-K1061 IonicContact OE2-NZ 2.64Å; E1057-K1061 PolarHBondContact OE2-NZ 3.31Å; E1057-K1061 VanDerWaalsContact OE2-NZ 3.15Å; L1058-K1061 PolarHBondContact O-N 2.78Å; K1061-A1064 PolarHBondContact O-N 3.06Å; K1061-R1065 PolarHBondContact O-N 2.79Å
1062L74.1Confident70.2Confident108 Ų108115.6 Ų115.657%0.56558%0.578SS**Hα-helixtrans-67.2-40173.5-72.2168.4000112.5L1058 Q1060 A1064 R1065 A1066L1058-L1062 WeakPolarHBondContact O-CB 3.36Å; L1058-L1062 VanDerWaalsContact O-CG 3.27Å; L1058-L1062 WeakPolarHBondContact O-CG 3.29Å; L1058-L1062 PolarHBondContact O-N 3.47Å; Q1060-L1062 PolarHBondContact O-N 3.04Å; L1062-A1064 VanDerWaalsContact C-N 3.34Å; L1062-R1065 PolarHBondContact O-N 3.39Å; L1062-A1066 WeakPolarHBondContact O-CB 3.4Å; L1062-A1066 PolarHBondContact O-N 3.41Å
1063A72.9Confident68.6Low50 Ų50116.9 Ų116.941%0.41360%0.595SS.*Hα-helixtrans-67.7-31.9175.600000113R1059 Q1060 R1067R1059-A1063 VanDerWaalsContact O-CB 3.25Å; R1059-A1063 WeakPolarHBondContact O-CB 3.42Å; R1059-A1063 PolarHBondContact O-N 3.26Å; Q1060-A1063 PolarHBondContact O-N 3.5Å; A1063-R1067 WeakPolarHBondContact O-CG 3.3Å; A1063-R1067 PolarHBondContact O-N 3.35Å
1064A74.6Confident66.7Low46 Ų46116.2 Ų116.238%0.3861%0.607SS.*Hα-helixtrans-66.7-51.4170.900000110.9Q1060 K1061 L1062 A1066 R1067 E1068Q1060-A1064 WeakPolarHBondContact O-CB 3.28Å; Q1060-A1064 PolarHBondContact O-N 3.48Å; K1061-A1064 PolarHBondContact O-N 3.06Å; L1062-A1064 VanDerWaalsContact C-N 3.34Å; A1064-A1066 VanDerWaalsContact C-N 3.25Å; A1064-A1066 PolarHBondContact O-N 3.15Å; A1064-R1067 WeakPolarHBondContact O-CA 3.41Å; A1064-R1067 WeakPolarHBondContact O-CB 3.34Å; A1064-R1067 PolarHBondContact O-N 2.78Å; A1064-E1068 PolarHBondContact O-N 2.67Å
1065R70.1Confident64.9Low184 Ų184116.2 Ų116.269%0.69462%0.617SS**Hα-helixtrans-57.3-37.1176.5-122.1178.8-177-179.50.5113.1K1061 L1062 E1068 S1069K1061-R1065 PolarHBondContact O-N 2.79Å; L1062-R1065 PolarHBondContact O-N 3.39Å; R1065-E1068 PolarHBondContact O-N 3.26Å; R1065-S1069 WeakPolarHBondContact O-CB 3.25Å; R1065-S1069 PolarHBondContact O-N 3.09Å
1066A61.2Low63Low50 Ų50118.3 Ų118.341%0.41364%0.638SS.*Hα-helixtrans-62.7-40.3174.300000112.1L1062 A1064 S1069 T1070L1062-A1066 WeakPolarHBondContact O-CB 3.4Å; L1062-A1066 PolarHBondContact O-N 3.41Å; A1064-A1066 VanDerWaalsContact C-N 3.25Å; A1064-A1066 PolarHBondContact O-N 3.15Å; A1066-S1069 PolarHBondContact O-N 2.93Å; A1066-S1069 PolarHBondContact O-OG 3.42Å; A1066-T1070 PolarHBondContact O-N 2.65Å; A1066-T1070 PolarHBondContact O-OG1 3.27Å
1067R64.9Low60.9Low199 Ų199115.8 Ų115.875%0.75164%0.643SS**Hα-helixtrans-68.8-38.2176.2-70170.9178.2-170-1.6112.6A1063 A1064 S1069 T1070A1063-R1067 WeakPolarHBondContact O-CG 3.3Å; A1063-R1067 PolarHBondContact O-N 3.35Å; A1064-R1067 WeakPolarHBondContact O-CA 3.41Å; A1064-R1067 WeakPolarHBondContact O-CB 3.34Å; A1064-R1067 PolarHBondContact O-N 2.78Å; R1067-S1069 VanDerWaalsContact C-N 3.32Å; R1067-T1070 PolarHBondContact O-N 2.81Å; R1067-T1070 PolarHBondContact O-OG1 3.24Å
1068E62.1Low59.2Low139 Ų139117.9 Ų117.965%0.6566%0.663SS**Hα-helixtrans-63.7-38.2173.9-67.7169.7163.100111.6A1064 R1065 T1070A1064-E1068 PolarHBondContact O-N 2.67Å; R1065-E1068 PolarHBondContact O-N 3.26Å; E1068-T1070 PolarHBondContact O-N 3.45Å
1069S51.2Low57.1Low94 Ų94119 Ų11966%0.65767%0.674SS**THydrogen-bonded Turntrans-68.5-12.2176.1750000114.6R1065 A1066 R1067R1065-S1069 WeakPolarHBondContact O-CB 3.25Å; R1065-S1069 PolarHBondContact O-N 3.09Å; A1066-S1069 PolarHBondContact O-N 2.93Å; A1066-S1069 PolarHBondContact O-OG 3.42Å; R1067-S1069 VanDerWaalsContact C-N 3.32Å
1070T46.8Very low56.1Low109 Ų109116.2 Ų116.267%0.66968%0.679SS**  trans-10461.1177.851.50000112.2A1066 R1067 E1068A1066-T1070 PolarHBondContact O-N 2.65Å; A1066-T1070 PolarHBondContact O-OG1 3.27Å; R1067-T1070 PolarHBondContact O-N 2.81Å; R1067-T1070 PolarHBondContact O-OG1 3.24Å; E1068-T1070 PolarHBondContact O-N 3.45Å
1071S40.9Very low54.1Low95 Ų95118.6 Ų118.666%0.66471%0.712SS**  trans-114123.7164.347.40000109.6S1073S1071-S1073 PolarHBondContact O-N 3.02Å
1072P48.1Very low52.7Low130 Ų130118.1 Ų118.184%0.84472%0.719SS**PPolyproline II helixtrans-81.8117.7-171.830.5-33.3000111.7
1073S44Very low51.6Low116 Ų116118.6 Ų118.681%0.81173%0.727SS**PPolyproline II helixtrans-77.1124.9162.242.90000109.5S1071 P1075S1071-S1073 PolarHBondContact O-N 3.02Å; S1073-P1075 WeakPolarHBondContact O-CD 3.42Å
1074S43.3Very low50.4Low117 Ų117122.4 Ų122.482%0.81875%0.745SS**PPolyproline II helixtrans-92.4118-178.840.60000111.7
1075P44Very low49Very low119 Ų119126.9 Ų126.977%0.77377%0.766SS**PPolyproline II helixtrans-85.4135.1166.433.1-31000110.5S1073S1073-P1075 WeakPolarHBondContact O-CD 3.42Å
1076S41Very low47.6Very low116 Ų116123.3 Ų123.381%0.81177%0.771SS**PPolyproline II helixtrans-78143.4171440000111.4
1077V37.9Very low46.7Very low134 Ų134128.2 Ų128.281%0.81279%0.794SS**PPolyproline II helixtrans-100.4123.1174.9176.90000109.7
1078P49.8Very low45.4Very low115 Ų115123.1 Ų123.175%0.74780%0.797SS**PPolyproline II helixtrans-87.6131.316133.3-29.2000110.9
1079T37.9Very low44.2Very low128 Ų128121.9 Ų121.979%0.78581%0.809SS**PPolyproline II helixtrans-73.9154.3156450000108.7
1080P51.2Low43.6Very low119 Ų119124.3 Ų124.377%0.77382%0.821SS**  -147.7-173.867.441.4-21.4000116.4
1081S37.9Very low43.3Very low193 Ų193125.6 Ų125.6100%1.3584%0.835SS**  trans57.70171.467.10000117.1

Retrieved 1,081 of 1,081 residues in 1116.8 ms (Link to these results)

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