A0A087XRN8_POEFO Loading...

RUN domain-containing protein 3A

AlphaFold DB , UniProt , Accession A0A087XRN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 430 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
1M39.9Very low42.9Very low246 Ų246118.7 Ų118.7100%1.21266%0.66SS**  0116.60-75.7173.5168.500106.9
2E37.7Very low43.3Very low160 Ų160120.8 Ų120.875%0.74866%0.664SS**  trans-87.8142.4-173.5-69.9-156.2139.200113.1G4E2-G4 VanDerWaalsContact C-N 3.32Å; E2-G4 PolarHBondContact O-N 3.2Å
3P46.7Very low43.3Very low109 Ų109113.7 Ų113.771%0.70864%0.635SS**SBendtrans-76.2-13.4179.130.3-34.8000114.4Y5P3-Y5 PolarHBondContact O-N 3.34Å
4G40.6Very low43.2Very low43 Ų43113 Ų11344%0.44363%0.625SS.*Hα-helixtrans-63.9-35.8-169.700000115.6E2 V6 Q7 A8E2-G4 VanDerWaalsContact C-N 3.32Å; E2-G4 PolarHBondContact O-N 3.2Å; G4-V6 PolarHBondContact O-N 3.37Å; G4-Q7 PolarHBondContact O-N 3.45Å; G4-A8 PolarHBondContact O-N 3.28Å
5Y41.8Very low43.6Very low197 Ų197111.3 Ų111.377%0.77362%0.619SS**Hα-helixtrans-67.3-33.9-176.1-84-85.8000113.6P3 A9P3-Y5 PolarHBondContact O-N 3.34Å; Y5-A9 PolarHBondContact O-N 3.47Å
6V44Very low44.1Very low90 Ų90109.5 Ų109.555%0.54562%0.616SS.*Hα-helixtrans-68.9-41.3-179.7-177.30000110.6G4 A9 M10G4-V6 PolarHBondContact O-N 3.37Å; V6-A9 PolarHBondContact O-N 2.83Å; V6-M10 HydrophobicContact CG1-CE 3.87Å; V6-M10 HydrophobicContact CG1-SD 4.33Å; V6-M10 WeakPolarHBondContact O-CG 3.38Å; V6-M10 PolarHBondContact O-N 3.2Å
7Q41.4Very low44.9Very low150 Ų150112.2 Ų112.270%0.70162%0.619SS**Hα-helixtrans-71.9-36.2-175.7-157.6162.94.500112.2G4 M10 A11G4-Q7 PolarHBondContact O-N 3.45Å; Q7-M10 PolarHBondContact O-N 3.45Å; Q7-A11 WeakPolarHBondContact O-CB 3.47Å; Q7-A11 PolarHBondContact O-N 3.44Å
8A44.4Very low45.7Very low59 Ų59114.3 Ų114.349%0.48862%0.616SS.*Hα-helixtrans-65.1-41.8172.400000112.4G4 A11 M12G4-A8 PolarHBondContact O-N 3.28Å; A8-A11 PolarHBondContact O-N 3.24Å; A8-M12 WeakPolarHBondContact O-CG 3.39Å; A8-M12 PolarHBondContact O-N 2.89Å
9A44.1Very low46.2Very low66 Ų66111.7 Ų111.755%0.54561%0.605SS.*Hα-helixtrans-64.5-41.2176.700000112.3Y5 V6 G13Y5-A9 PolarHBondContact O-N 3.47Å; V6-A9 PolarHBondContact O-N 2.83Å; A9-G13 PolarHBondContact O-N 3.43Å
10M48.8Very low47.2Very low131 Ų131109.4 Ų109.465%0.64560%0.597SS**Hα-helixtrans-63-44.7174.9-72.8-177.6175.200112.1V6 Q7 G13 E14V6-M10 HydrophobicContact CG1-CE 3.87Å; V6-M10 HydrophobicContact CG1-SD 4.33Å; V6-M10 WeakPolarHBondContact O-CG 3.38Å; V6-M10 PolarHBondContact O-N 3.2Å; Q7-M10 PolarHBondContact O-N 3.45Å; M10-G13 PolarHBondContact O-N 3.24Å; M10-E14 PolarHBondContact O-N 3.46Å
11A42.8Very low48Very low55 Ų55107 Ų10746%0.45559%0.592SS.*Hα-helixtrans-62.5-44177.800000112.7Q7 A8 G13 E14 V15Q7-A11 WeakPolarHBondContact O-CB 3.47Å; Q7-A11 PolarHBondContact O-N 3.44Å; A8-A11 PolarHBondContact O-N 3.24Å; A11-G13 VanDerWaalsContact C-N 3.33Å; A11-G13 PolarHBondContact O-N 3.44Å; A11-E14 PolarHBondContact O-N 3.3Å; A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 3.37Å
12M47.1Very low49.3Very low144 Ų144103.5 Ų103.571%0.70957%0.565SS**Hα-helixtrans-63.6-38.7175.2-71-74.3-84.900111.9A8 V15 S16A8-M12 WeakPolarHBondContact O-CG 3.39Å; A8-M12 PolarHBondContact O-N 2.89Å; M12-V15 PolarHBondContact O-N 3.38Å; M12-S16 WeakPolarHBondContact O-CB 3.44Å; M12-S16 PolarHBondContact O-N 3.35Å
13G43.9Very low51.3Low28 Ų28100.7 Ų100.729%0.28956%0.556SS.*Hα-helixtrans-62.4-40.2173.500000113.2A9 M10 A11 K17A9-G13 PolarHBondContact O-N 3.43Å; M10-G13 PolarHBondContact O-N 3.24Å; A11-G13 VanDerWaalsContact C-N 3.33Å; A11-G13 PolarHBondContact O-N 3.44Å; G13-K17 WeakPolarHBondContact O-CB 3.32Å; G13-K17 WeakPolarHBondContact O-CD 3.38Å; G13-K17 VanDerWaalsContact O-CG 3.22Å; G13-K17 WeakPolarHBondContact O-CG 3.43Å; G13-K17 PolarHBondContact O-N 3.25Å
14E41.9Very low53.2Low104 Ų10496.1 Ų96.149%0.48653%0.526SS..Hα-helixtrans-66.7-45.1173.5-75.7-150.9170.800113M10 A11 S16 K17 R18M10-E14 PolarHBondContact O-N 3.46Å; A11-E14 PolarHBondContact O-N 3.3Å; E14-S16 VanDerWaalsContact C-N 3.34Å; E14-S16 PolarHBondContact O-N 3.06Å; E14-K17 PolarHBondContact O-N 3.5Å; E14-R18 WeakPolarHBondContact O-CB 3.41Å; E14-R18 VanDerWaalsContact O-CG 3.28Å; E14-R18 WeakPolarHBondContact O-CG 3.49Å; E14-R18 PolarHBondContact O-N 3.03Å; E14-R18 IonicContact OE2-CZ 3.63Å; E14-R18 IonicContact OE2-NE 3.74Å; E14-R18 IonicContact OE2-NH2 2.74Å; E14-R18 PolarHBondContact OE2-NH2 2.95Å
15V49.2Very low55.5Low88 Ų8895.7 Ų95.753%0.53352%0.518SS..Hα-helixtrans-61.6-44.1179.3172.70000110.6A11 M12 R18 V19A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 3.37Å; M12-V15 PolarHBondContact O-N 3.38Å; V15-R18 PolarHBondContact O-N 3.03Å; V15-V19 WeakPolarHBondContact O-CG2 3.33Å; V15-V19 PolarHBondContact O-N 3.41Å
16S51.1Low57.6Low82 Ų8290.1 Ų90.157%0.57350%0.504SS*.Hα-helixtrans-60.5-45.7175.3-176.10000112.3M12 E14 R18 V19 S20M12-S16 WeakPolarHBondContact O-CB 3.44Å; M12-S16 PolarHBondContact O-N 3.35Å; E14-S16 VanDerWaalsContact C-N 3.34Å; E14-S16 PolarHBondContact O-N 3.06Å; S16-R18 PolarHBondContact O-N 3.4Å; S16-V19 PolarHBondContact O-N 2.8Å; S16-S20 WeakPolarHBondContact O-CB 3.42Å; S16-S20 PolarHBondContact O-N 2.94Å
17K57.4Low59.8Low156 Ų15690 Ų9068%0.67850%0.498SS*.Hα-helixtrans-60.3-41.5174-74169.6-176.1176.80112.4G13 E14 S20 A21G13-K17 WeakPolarHBondContact O-CB 3.32Å; G13-K17 WeakPolarHBondContact O-CD 3.38Å; G13-K17 VanDerWaalsContact O-CG 3.22Å; G13-K17 WeakPolarHBondContact O-CG 3.43Å; G13-K17 PolarHBondContact O-N 3.25Å; E14-K17 PolarHBondContact O-N 3.5Å; K17-S20 PolarHBondContact O-N 2.97Å; K17-A21 VanDerWaalsContact O-CB 3.32Å; K17-A21 WeakPolarHBondContact O-CB 3.27Å; K17-A21 PolarHBondContact O-N 3.32Å
18R58.8Low62.3Low149 Ų14983.8 Ų83.856%0.56247%0.468SS*.Hα-helixtrans-66.1-39.3177.7-70.8175.4-163.8-153.88.6112.1E14 V15 S16 R22E14-R18 WeakPolarHBondContact O-CB 3.41Å; E14-R18 VanDerWaalsContact O-CG 3.28Å; E14-R18 WeakPolarHBondContact O-CG 3.49Å; E14-R18 PolarHBondContact O-N 3.03Å; E14-R18 IonicContact OE2-CZ 3.63Å; E14-R18 IonicContact OE2-NE 3.74Å; E14-R18 IonicContact OE2-NH2 2.74Å; E14-R18 PolarHBondContact OE2-NH2 2.95Å; V15-R18 PolarHBondContact O-N 3.03Å; S16-R18 PolarHBondContact O-N 3.4Å; R18-R22 VanDerWaalsContact O-CG 3.29Å; R18-R22 WeakPolarHBondContact O-CG 3.46Å; R18-R22 PolarHBondContact O-N 3.09Å
19V55.8Low64.5Low66 Ų6687.6 Ų87.640%0.447%0.474SS..Hα-helixtrans-68.1-45.7174.8174.80000110.9V15 S16 A21 R22 N23V15-V19 WeakPolarHBondContact O-CG2 3.33Å; V15-V19 PolarHBondContact O-N 3.41Å; S16-V19 PolarHBondContact O-N 2.8Å; V19-A21 VanDerWaalsContact C-N 3.35Å; V19-A21 PolarHBondContact O-N 3.3Å; V19-R22 PolarHBondContact O-N 2.91Å; V19-N23 VanDerWaalsContact O-CG 3.3Å; V19-N23 PolarHBondContact O-N 3.41Å; V19-N23 PolarHBondContact O-OD1 3.18Å
20S67.3Low66.8Low65 Ų6588.6 Ų88.646%0.45547%0.47SS..Hα-helixtrans-57.1-45.6174.8-178.70000112.2S16 K17 R22 N23 V24S16-S20 WeakPolarHBondContact O-CB 3.42Å; S16-S20 PolarHBondContact O-N 2.94Å; K17-S20 PolarHBondContact O-N 2.97Å; S20-R22 PolarHBondContact O-N 3.44Å; S20-N23 PolarHBondContact O-N 3.41Å; S20-V24 WeakPolarHBondContact O-CG2 3.29Å; S20-V24 PolarHBondContact O-N 2.92Å; S20-V24 VanDerWaalsContact O-N 3.13Å
21A62.4Low68.9Low59 Ų5982.8 Ų82.849%0.48844%0.441SS..Hα-helixtrans-63.4-38.8176.700000113K17 V19 V24 A25K17-A21 VanDerWaalsContact O-CB 3.32Å; K17-A21 WeakPolarHBondContact O-CB 3.27Å; K17-A21 PolarHBondContact O-N 3.32Å; V19-A21 VanDerWaalsContact C-N 3.35Å; V19-A21 PolarHBondContact O-N 3.3Å; A21-V24 PolarHBondContact O-N 3.2Å; A21-A25 PolarHBondContact O-N 3.31Å
22R67Low71.4Confident172 Ų17281.1 Ų81.165%0.64942%0.424SS*.Hα-helixtrans-64.4-45.6174.8-76.7171.3180169.6-1.1112R18 V19 S20 V24 A25 V26R18-R22 VanDerWaalsContact O-CG 3.29Å; R18-R22 WeakPolarHBondContact O-CG 3.46Å; R18-R22 PolarHBondContact O-N 3.09Å; V19-R22 PolarHBondContact O-N 2.91Å; S20-R22 PolarHBondContact O-N 3.44Å; R22-V24 VanDerWaalsContact C-N 3.29Å; R22-V24 PolarHBondContact O-N 2.86Å; R22-A25 WeakPolarHBondContact O-CB 3.34Å; R22-A25 PolarHBondContact O-N 3.4Å; R22-A25 VanDerWaalsContact O-N 3.11Å; R22-V26 WeakPolarHBondContact O-CG2 3.23Å; R22-V26 PolarHBondContact O-N 2.95Å
23N80.8Confident73.6Confident101 Ų10177.4 Ų77.454%0.5441%0.41SS..Hα-helixtrans-58.8-42.9178.5-67.8-4000111.1V19 S20 V26 E27V19-N23 VanDerWaalsContact O-CG 3.3Å; V19-N23 PolarHBondContact O-N 3.41Å; V19-N23 PolarHBondContact O-OD1 3.18Å; S20-N23 PolarHBondContact O-N 3.41Å; N23-V26 PolarHBondContact O-N 3.3Å; N23-E27 WeakPolarHBondContact O-CB 3.41Å; N23-E27 PolarHBondContact O-N 2.94Å
24V87.1Confident76Confident14 Ų1476.7 Ų76.79%0.08540%0.4CS..Hα-helixtrans-68.2-35.8177.1175.90000111.5S20 A21 R22 V26 R28S20-V24 WeakPolarHBondContact O-CG2 3.29Å; S20-V24 PolarHBondContact O-N 2.92Å; S20-V24 VanDerWaalsContact O-N 3.13Å; A21-V24 PolarHBondContact O-N 3.2Å; R22-V24 VanDerWaalsContact C-N 3.29Å; R22-V24 PolarHBondContact O-N 2.86Å; V24-V26 VanDerWaalsContact C-N 3.33Å; V24-R28 VanDerWaalsContact O-CG 3.24Å; V24-R28 WeakPolarHBondContact O-CG 3.41Å; V24-R28 PolarHBondContact O-N 3.49Å; V24-R28 VanDerWaalsContact O-N 3.14Å
25A88.1Confident78.6Confident34 Ų3471.7 Ų71.728%0.28138%0.377SS..Hα-helixtrans-64.9-37.3173.400000112.2A21 R22 K29A21-A25 PolarHBondContact O-N 3.31Å; R22-A25 WeakPolarHBondContact O-CB 3.34Å; R22-A25 PolarHBondContact O-N 3.4Å; R22-A25 VanDerWaalsContact O-N 3.11Å; A25-K29 WeakPolarHBondContact O-CG 3.25Å; A25-K29 PolarHBondContact O-N 2.96Å
26V87.2Confident80.8Confident79 Ų7975.5 Ų75.548%0.47938%0.381SS..Hα-helixtrans-68.6-48.1174.5171.90000111.2R22 N23 V24 R28 K29 N30R22-V26 WeakPolarHBondContact O-CG2 3.23Å; R22-V26 PolarHBondContact O-N 2.95Å; N23-V26 PolarHBondContact O-N 3.3Å; V24-V26 VanDerWaalsContact C-N 3.33Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 2.94Å; V26-K29 PolarHBondContact O-N 3Å; V26-K29 VanDerWaalsContact O-N 3.14Å; V26-N30 WeakPolarHBondContact O-CB 3.49Å; V26-N30 PolarHBondContact O-N 3.26Å; V26-N30 PolarHBondContact O-OD1 2.97Å
27E89.3Confident82.9Confident89 Ų8976 Ų7642%0.41637%0.373SS..Hα-helixtrans-52.8-48.5177.9-175.5-176.1174.100112N23 N30 L31 H71N23-E27 WeakPolarHBondContact O-CB 3.41Å; N23-E27 PolarHBondContact O-N 2.94Å; E27-N30 PolarHBondContact O-N 3.46Å; E27-L31 HydrophobicContact CG-CD1 4.36Å; E27-L31 WeakPolarHBondContact O-CG 3.31Å; E27-L31 PolarHBondContact O-N 3.22Å; E27-H71 IonicContact OE1-CD2 2.67Å; E27-H71 IonicContact OE1-NE2 3.16Å; E27-H71 IonicContact OE2-NE2 3.55Å
28R93.2Very high84.7Confident19 Ų1968.5 Ų68.57%0.07234%0.341CS..Hα-helixtrans-62.2-45.3177-65.9-176.6-52.8130.624.4112.8V24 V26 N30 L31 L32 H71 G152 I154 E159V24-R28 VanDerWaalsContact O-CG 3.24Å; V24-R28 WeakPolarHBondContact O-CG 3.41Å; V24-R28 PolarHBondContact O-N 3.49Å; V24-R28 VanDerWaalsContact O-N 3.14Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 2.94Å; R28-N30 VanDerWaalsContact C-N 3.3Å; R28-N30 PolarHBondContact O-N 3.48Å; R28-L31 PolarHBondContact O-N 3Å; R28-L32 WeakPolarHBondContact O-CB 3.41Å; R28-L32 WeakPolarHBondContact O-CD1 3.22Å; R28-L32 VanDerWaalsContact O-CG 3.29Å; R28-L32 WeakPolarHBondContact O-CG 3.49Å; R28-L32 PolarHBondContact O-N 2.76Å; R28-H71 VanDerWaalsContact CG-CE1 3.45Å; R28-H71 WeakPolarHBondContact CG-CE1 3.48Å; R28-H71 VanDerWaalsContact CG-NE2 3.27Å; R28-H71 WeakPolarHBondContact CG-NE2 3.39Å; R28-G152 WeakPolarHBondContact CD-O 3.28Å; R28-I154 HydrophobicContact CB-CD1 4.46Å; R28-I154 HydrophobicContact CB-CG1 4.02Å; R28-I154 HydrophobicContact CG-CD1 4.28Å; R28-I154 HydrophobicContact CG-CG1 3.59Å; R28-E159 IonicContact CZ-OE1 3.36Å; R28-E159 IonicContact CZ-OE2 2.74Å; R28-E159 IonicContact NH1-OE1 2.68Å; R28-E159 PolarHBondContact NH1-OE1 3.27Å; R28-E159 VanDerWaalsContact NH1-OE1 3.08Å; R28-E159 IonicContact NH1-OE2 3.13Å; R28-E159 PolarHBondContact NH1-OE2 2.94Å; R28-E159 IonicContact NH2-OE1 3.71Å; R28-E159 PolarHBondContact NH2-OE1 3.33Å; R28-E159 IonicContact NH2-OE2 3.34Å
29K91.3Very high86.5Confident139 Ų13961.9 Ų61.960%0.60432%0.317SS*.Hα-helixtrans-60.8-41.7176.5-76.9-179.2177.2-171.30111.1A25 V26 T33A25-K29 WeakPolarHBondContact O-CG 3.25Å; A25-K29 PolarHBondContact O-N 2.96Å; V26-K29 PolarHBondContact O-N 3Å; V26-K29 VanDerWaalsContact O-N 3.14Å; K29-T33 VanDerWaalsContact O-CB 3.26Å; K29-T33 WeakPolarHBondContact O-CB 3.44Å; K29-T33 PolarHBondContact O-N 3.37Å; K29-T33 PolarHBondContact O-OG1 3.47Å
30N91.7Very high88.3Confident87 Ų8764.1 Ų64.147%0.46532%0.321SS..Hα-helixtrans-64.4-51.4178.3-68-2.7000111V26 E27 R28 L32 T33 V34V26-N30 WeakPolarHBondContact O-CB 3.49Å; V26-N30 PolarHBondContact O-N 3.26Å; V26-N30 PolarHBondContact O-OD1 2.97Å; E27-N30 PolarHBondContact O-N 3.46Å; R28-N30 VanDerWaalsContact C-N 3.3Å; R28-N30 PolarHBondContact O-N 3.48Å; N30-L32 VanDerWaalsContact C-N 3.34Å; N30-L32 PolarHBondContact O-N 2.89Å; N30-T33 PolarHBondContact O-N 3.47Å; N30-V34 WeakPolarHBondContact O-CB 3.42Å; N30-V34 WeakPolarHBondContact O-CG2 3.49Å; N30-V34 PolarHBondContact O-N 3.39Å
31L94.4Very high89.6Confident9 Ų962.7 Ų62.75%0.04731%0.31CS..Hα-helixtrans-57.3-43.9178.3-75.4173000112.4E27 R28 V34 C35 H67 I68 H71 I154 I192E27-L31 HydrophobicContact CG-CD1 4.36Å; E27-L31 WeakPolarHBondContact O-CG 3.31Å; E27-L31 PolarHBondContact O-N 3.22Å; R28-L31 PolarHBondContact O-N 3Å; L31-V34 PolarHBondContact O-N 2.94Å; L31-C35 VanDerWaalsContact O-CB 3.29Å; L31-C35 WeakPolarHBondContact O-CB 3.47Å; L31-C35 PolarHBondContact O-N 2.69Å; L31-H67 HydrophobicContact CD2-CB 3.91Å; L31-I68 HydrophobicContact CB-CD1 4.41Å; L31-I68 HydrophobicContact CB-CG1 3.92Å; L31-H71 HydrophobicContact CD1-CB 4.32Å; L31-I154 HydrophobicContact CB-CD1 4.21Å; L31-I154 HydrophobicContact CD1-CD1 3.98Å; L31-I192 HydrophobicContact CD2-CD1 3.83Å
32L95.2Very high91.1Very high19 Ų1959.9 Ų59.910%0.09929%0.286CS..Hα-helixtrans-69.5-36.2178.1-68.2163.2000112.7R28 N30 C35 R36 I154 E159 L163 M166R28-L32 WeakPolarHBondContact O-CB 3.41Å; R28-L32 WeakPolarHBondContact O-CD1 3.22Å; R28-L32 VanDerWaalsContact O-CG 3.29Å; R28-L32 WeakPolarHBondContact O-CG 3.49Å; R28-L32 PolarHBondContact O-N 2.76Å; N30-L32 VanDerWaalsContact C-N 3.34Å; N30-L32 PolarHBondContact O-N 2.89Å; L32-C35 PolarHBondContact O-N 3.4Å; L32-R36 PolarHBondContact O-N 2.94Å; L32-I154 HydrophobicContact CD2-CG2 4.27Å; L32-E159 HydrophobicContact CD1-CB 3.53Å; L32-E159 HydrophobicContact CD1-CG 4.12Å; L32-L163 HydrophobicContact CD2-CB 4.22Å; L32-M166 HydrophobicContact CD2-CE 4.11Å
33T93.6Very high92.5Very high67 Ų6755.2 Ų55.241%0.41127%0.274SS..Hα-helixtrans-65.8-43.9175.6-59.90000110.9K29 N30 R36 F37K29-T33 VanDerWaalsContact O-CB 3.26Å; K29-T33 WeakPolarHBondContact O-CB 3.44Å; K29-T33 PolarHBondContact O-N 3.37Å; K29-T33 PolarHBondContact O-OG1 3.47Å; N30-T33 PolarHBondContact O-N 3.47Å; T33-R36 WeakPolarHBondContact O-CB 3.28Å; T33-R36 PolarHBondContact O-N 3.1Å; T33-F37 HydrophobicContact CG2-CD2 4.1Å; T33-F37 HydrophobicContact CG2-CE2 3.53Å; T33-F37 HydrophobicContact CG2-CZ 4.07Å; T33-F37 WeakPolarHBondContact O-CD2 3.44Å; T33-F37 PolarHBondContact O-N 3.42Å
34V94.1Very high93Very high12 Ų1256.3 Ų56.37%0.07328%0.276CS..Hα-helixtrans-67.3-39.2176.1173.10000111.1N30 L31 R36 F37 S38 V64 I192 Y194 Y197N30-V34 WeakPolarHBondContact O-CB 3.42Å; N30-V34 WeakPolarHBondContact O-CG2 3.49Å; N30-V34 PolarHBondContact O-N 3.39Å; L31-V34 PolarHBondContact O-N 2.94Å; V34-R36 VanDerWaalsContact C-N 3.32Å; V34-R36 PolarHBondContact O-N 3.45Å; V34-F37 PolarHBondContact O-N 2.91Å; V34-S38 VanDerWaalsContact O-CB 3.26Å; V34-S38 WeakPolarHBondContact O-CB 3.48Å; V34-S38 PolarHBondContact O-N 2.99Å; V34-V64 HydrophobicContact CG1-CG1 4.28Å; V34-V64 HydrophobicContact CG1-CG2 3.61Å; V34-I192 HydrophobicContact CG1-CG2 4.02Å; V34-Y194 HydrophobicContact CG2-CD1 3.95Å; V34-Y194 HydrophobicContact CG2-CE1 3.83Å; V34-Y197 HydrophobicContact CG1-CD2 3.75Å; V34-Y197 HydrophobicContact CG1-CE2 3.78Å
35C96.4Very high93.3Very high0 Ų060.2 Ų60.20%029%0.292CS..Hα-helixtrans-59-43.5171.9-174.30000111.6L31 L32 F37 S38 V39 V64 I68 M166L31-C35 VanDerWaalsContact O-CB 3.29Å; L31-C35 WeakPolarHBondContact O-CB 3.47Å; L31-C35 PolarHBondContact O-N 2.69Å; L32-C35 PolarHBondContact O-N 3.4Å; C35-F37 PolarHBondContact O-N 2.78Å; C35-S38 PolarHBondContact O-N 3.34Å; C35-V39 WeakPolarHBondContact O-CB 3.42Å; C35-V39 WeakPolarHBondContact O-CG2 2.77Å; C35-V39 PolarHBondContact O-N 3.21Å; C35-V64 HydrophobicContact CB-CG1 3.67Å; C35-I68 HydrophobicContact CB-CD1 3.6Å; C35-M166 HydrophobicContact CB-CE 4Å
36R95.4Very high93.5Very high168 Ų16861.6 Ų61.663%0.63429%0.29SS*.Hα-helixtrans-58.7-45.1174.9-167.8-176-176.6127.72.4112.3L32 T33 V34 K40 M166L32-R36 PolarHBondContact O-N 2.94Å; T33-R36 WeakPolarHBondContact O-CB 3.28Å; T33-R36 PolarHBondContact O-N 3.1Å; V34-R36 VanDerWaalsContact C-N 3.32Å; V34-R36 PolarHBondContact O-N 3.45Å; R36-K40 WeakPolarHBondContact O-CB 3.36Å; R36-K40 PolarHBondContact O-N 3.11Å; R36-K40 VanDerWaalsContact O-N 3.08Å; R36-M166 WeakPolarHBondContact CA-SD 3.46Å; R36-M166 HydrophobicContact CB-SD 3.52Å; R36-M166 VanDerWaalsContact CB-SD 3.52Å; R36-M166 HydrophobicContact CG-SD 3.98Å
37F94.1Very high93.5Very high91 Ų9163.4 Ų63.440%0.39930%0.302SS..Hα-helixtrans-68.8-36.5177.1-64.5-44.6000112.4T33 V34 C35 K40 T41 Y197T33-F37 HydrophobicContact CG2-CD2 4.1Å; T33-F37 HydrophobicContact CG2-CE2 3.53Å; T33-F37 HydrophobicContact CG2-CZ 4.07Å; T33-F37 WeakPolarHBondContact O-CD2 3.44Å; T33-F37 PolarHBondContact O-N 3.42Å; V34-F37 PolarHBondContact O-N 2.91Å; C35-F37 PolarHBondContact O-N 2.78Å; F37-K40 WeakPolarHBondContact O-CB 3.49Å; F37-K40 PolarHBondContact O-N 2.95Å; F37-T41 PolarHBondContact O-N 2.74Å; F37-T41 PolarHBondContact O-OG1 3.47Å; F37-Y197 HydrophobicContact CB-CD1 3.36Å; F37-Y197 HydrophobicContact CB-CE1 3.61Å; F37-Y197 HydrophobicContact CB-CG 3.97Å; F37-Y197 HydrophobicContact CD2-CD1 4.32Å; F37-Y197 HydrophobicContact CD2-CG 4.26Å; F37-Y197 HydrophobicContact CG-CD1 4.14Å
38S95.9Very high93.2Very high0 Ų062.8 Ų62.80%031%0.312CS..Hα-helixtrans-68.1-44.2179-175.10000112.9V34 C35 K40 T41 L42 F61 Y197V34-S38 VanDerWaalsContact O-CB 3.26Å; V34-S38 WeakPolarHBondContact O-CB 3.48Å; V34-S38 PolarHBondContact O-N 2.99Å; C35-S38 PolarHBondContact O-N 3.34Å; S38-K40 VanDerWaalsContact C-N 3.28Å; S38-K40 PolarHBondContact O-N 3.04Å; S38-T41 WeakPolarHBondContact CA-OG1 3.28Å; S38-T41 PolarHBondContact O-N 3.42Å; S38-T41 PolarHBondContact O-OG1 3.28Å; S38-L42 PolarHBondContact O-N 3.32Å; S38-F61 WeakPolarHBondContact OG-CA 3.38Å; S38-F61 VanDerWaalsContact OG-CB 3.26Å; S38-F61 WeakPolarHBondContact OG-CB 3.38Å; S38-F61 PolarHBondContact OG-N 2.95Å; S38-Y197 VanDerWaalsContact CA-OH 3.26Å; S38-Y197 WeakPolarHBondContact CA-OH 3.48Å; S38-Y197 WeakPolarHBondContact CB-OH 3.4Å; S38-Y197 PolarHBondContact OG-OH 3.4Å
39V96.6Very high93.1Very high10 Ų1069 Ų696%0.06134%0.341CS..Hα-helixtrans-59-41.5169.5169.80000110.9C35 L42 L43 F61 M166 V170C35-V39 WeakPolarHBondContact O-CB 3.42Å; C35-V39 WeakPolarHBondContact O-CG2 2.77Å; C35-V39 PolarHBondContact O-N 3.21Å; V39-L42 PolarHBondContact O-N 2.89Å; V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 WeakPolarHBondContact O-CG 3.33Å; V39-L43 PolarHBondContact O-N 3.39Å; V39-F61 HydrophobicContact CG2-CD2 4.06Å; V39-F61 HydrophobicContact CG2-CE2 3.63Å; V39-M166 HydrophobicContact CG2-CB 4.37Å; V39-V170 HydrophobicContact CB-CG2 4.27Å; V39-V170 HydrophobicContact CG1-CG2 3.78Å; V39-V170 HydrophobicContact CG2-CG2 3.64Å
40K94.1Very high93.3Very high113 Ų11365.2 Ų65.249%0.49133%0.331SS..Hα-helixtrans-62.7-46.8175.4175.7173.5170.5169.80112R36 F37 S38 L42 L43 E44R36-K40 WeakPolarHBondContact O-CB 3.36Å; R36-K40 PolarHBondContact O-N 3.11Å; R36-K40 VanDerWaalsContact O-N 3.08Å; F37-K40 WeakPolarHBondContact O-CB 3.49Å; F37-K40 PolarHBondContact O-N 2.95Å; S38-K40 VanDerWaalsContact C-N 3.28Å; S38-K40 PolarHBondContact O-N 3.04Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-L42 PolarHBondContact O-N 3.32Å; K40-L43 PolarHBondContact O-N 2.95Å; K40-E44 WeakPolarHBondContact CE-OE1 3.41Å; K40-E44 WeakPolarHBondContact CE-OE2 3.32Å; K40-E44 HydrophobicContact CG-CG 4.39Å; K40-E44 IonicContact NZ-OE1 3.5Å; K40-E44 PolarHBondContact NZ-OE1 3.07Å; K40-E44 WeakPolarHBondContact O-CG 3.39Å; K40-E44 PolarHBondContact O-N 3.24Å
41T93.2Very high93.6Very high34 Ų3461.5 Ų61.521%0.20931%0.311CS..Hα-helixtrans-64.9-34.3178.645.90000112.5F37 S38 E44 K45 Y197F37-T41 PolarHBondContact O-N 2.74Å; F37-T41 PolarHBondContact O-OG1 3.47Å; S38-T41 WeakPolarHBondContact CA-OG1 3.28Å; S38-T41 PolarHBondContact O-N 3.42Å; S38-T41 PolarHBondContact O-OG1 3.28Å; T41-E44 PolarHBondContact O-N 3.21Å; T41-K45 VanDerWaalsContact O-CB 3.23Å; T41-K45 WeakPolarHBondContact O-CB 3.26Å; T41-K45 PolarHBondContact O-N 2.86Å; T41-Y197 HydrophobicContact CG2-CE1 3.98Å; T41-Y197 PolarHBondContact OG1-OH 3.02Å
42L95.3Very high93.6Very high0 Ų064.4 Ų64.40%033%0.327CS..Hα-helixtrans-63.5-43.4171.7-85177.7000112.5S38 V39 K40 K45 Y46 I51 E57 F58 F61 I173S38-L42 PolarHBondContact O-N 3.32Å; V39-L42 PolarHBondContact O-N 2.89Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-L42 PolarHBondContact O-N 3.32Å; L42-K45 PolarHBondContact O-N 3.46Å; L42-Y46 PolarHBondContact O-N 2.99Å; L42-I51 HydrophobicContact CD2-CD1 3.67Å; L42-I51 HydrophobicContact CD2-CG2 4.29Å; L42-E57 HydrophobicContact CD2-CB 3.97Å; L42-E57 HydrophobicContact CG-CB 4.43Å; L42-F58 HydrophobicContact CD2-CB 4.18Å; L42-F61 HydrophobicContact CD1-CB 3.48Å; L42-F61 VanDerWaalsContact CD1-CB 3.48Å; L42-F61 HydrophobicContact CD1-CD1 3.69Å; L42-F61 HydrophobicContact CD1-CD2 3.79Å; L42-F61 HydrophobicContact CD1-CE1 4.38Å; L42-F61 HydrophobicContact CD1-CE2 4.47Å; L42-F61 HydrophobicContact CD1-CG 3.35Å; L42-F61 HydrophobicContact CG-CB 4.23Å; L42-I173 HydrophobicContact CB-CD1 3.75Å
43L94.8Very high93.4Very high75 Ų7564.9 Ų64.939%0.39333%0.33SS..Hα-helixtrans-67.9-32.7176.4-72.2166.4000112.8V39 K40 I173V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 WeakPolarHBondContact O-CG 3.33Å; V39-L43 PolarHBondContact O-N 3.39Å; K40-L43 PolarHBondContact O-N 2.95Å; L43-I173 HydrophobicContact CD2-CD1 3.93Å; L43-I173 HydrophobicContact CD2-CG1 3.89Å; L43-I173 HydrophobicContact CG-CD1 4.19Å
44E92.2Very high93.3Very high123 Ų12365.9 Ų65.958%0.57534%0.339SS*.Hα-helixtrans-74.4-27.2173.6-71.7175.2150.500112.3K40 T41K40-E44 WeakPolarHBondContact CE-OE1 3.41Å; K40-E44 WeakPolarHBondContact CE-OE2 3.32Å; K40-E44 HydrophobicContact CG-CG 4.39Å; K40-E44 IonicContact NZ-OE1 3.5Å; K40-E44 PolarHBondContact NZ-OE1 3.07Å; K40-E44 WeakPolarHBondContact O-CG 3.39Å; K40-E44 PolarHBondContact O-N 3.24Å; T41-E44 PolarHBondContact O-N 3.21Å
45K92.6Very high93.3Very high96 Ų9665.9 Ų65.942%0.41734%0.34SS..Hα-helixtrans-79.5-40176.9178.256.6166.6-115.80112.8T41 L42 T47 I51 E57T41-K45 VanDerWaalsContact O-CB 3.23Å; T41-K45 WeakPolarHBondContact O-CB 3.26Å; T41-K45 PolarHBondContact O-N 2.86Å; L42-K45 PolarHBondContact O-N 3.46Å; K45-T47 PolarHBondContact O-N 3.37Å; K45-I51 HydrophobicContact CB-CD1 4.28Å; K45-I51 HydrophobicContact CG-CD1 4.05Å; K45-E57 HydrophobicContact CB-CG 4.22Å; K45-E57 WeakPolarHBondContact CD-OE1 3.29Å; K45-E57 WeakPolarHBondContact CE-OE1 3.39Å; K45-E57 HydrophobicContact CG-CG 4.26Å; K45-E57 VanDerWaalsContact NZ-CD 3.33Å; K45-E57 IonicContact NZ-OE1 2.62Å; K45-E57 PolarHBondContact NZ-OE1 3.47Å; K45-E57 IonicContact NZ-OE2 2.65Å; K45-E57 PolarHBondContact NZ-OE2 2.84Å; K45-E57 VanDerWaalsContact NZ-OE2 3.17Å
46Y93.8Very high93.1Very high63 Ų6373.4 Ų73.425%0.24738%0.375CS..  trans-66.5123.9177.5177.5-111.8000110.2L42 I173 D174L42-Y46 PolarHBondContact O-N 2.99Å; Y46-I173 HydrophobicContact CD1-CG1 4.2Å; Y46-I173 HydrophobicContact CD2-CG2 3.85Å; Y46-I173 HydrophobicContact CE2-CG2 4.48Å; Y46-I173 HydrophobicContact CG-CB 4.27Å; Y46-I173 HydrophobicContact CG-CG1 4.12Å; Y46-I173 HydrophobicContact CG-CG2 3.92Å; Y46-D174 HydrophobicContact CE2-CB 3.92Å; Y46-D174 PolarHBondContact OH-OD2 2.88Å
47T86.3Confident93.1Very high118 Ų11867.7 Ų67.772%0.72436%0.355SS*.SBendtrans-132.9-69-174.244.60000110.8K45K45-T47 PolarHBondContact O-N 3.37Å
48A83.3Confident93.2Very high76 Ų7663.3 Ų63.363%0.62834%0.336SS*.SBendtrans-137.3-35175.100000112.6
49E91.7Very high93.2Very high148 Ų14867.5 Ų67.569%0.69236%0.358SS*.SBendtrans-84.8143.5177.4-63.1-56.5138.900112
50P95.4Very high93.1Very high60 Ų6067.6 Ų67.639%0.3936%0.358SS..PPolyproline II helixtrans-60.4145.4171.6-22.633.8000112.4D174P50-D174 CarbonylContact C-O 3.54Å; P50-D174 VanDerWaalsContact CA-O 3.28Å; P50-D174 WeakPolarHBondContact CA-O 3.35Å; P50-D174 HydrophobicContact CB-CB 4.07Å; P50-D174 HydrophobicContact CG-CB 4.19Å
51I96.5Very high93.3Very high9 Ų962.2 Ų62.25%0.04633%0.334CS..EExtended strand (participates in β ladder)trans-80.4131.1174.8-61.9-173.6000109.7L42 K45 F58 I173 D174 F175 S176L42-I51 HydrophobicContact CD2-CD1 3.67Å; L42-I51 HydrophobicContact CD2-CG2 4.29Å; K45-I51 HydrophobicContact CB-CD1 4.28Å; K45-I51 HydrophobicContact CG-CD1 4.05Å; I51-F58 HydrophobicContact CG2-CB 3.82Å; I51-I173 HydrophobicContact CB-CG2 4.48Å; I51-I173 HydrophobicContact CD1-CG2 3.93Å; I51-I173 HydrophobicContact CG1-CG2 4.13Å; I51-D174 PolarHBondContact N-O 2.99Å; I51-F175 HydrophobicContact CB-CD1 3.81Å; I51-F175 HydrophobicContact CB-CE1 3.93Å; I51-F175 HydrophobicContact CG2-CD1 4.15Å; I51-F175 HydrophobicContact CG2-CE1 4.08Å; I51-F175 CarbonylContact O-C 3.6Å; I51-F175 VanDerWaalsContact O-CA 3.28Å; I51-F175 WeakPolarHBondContact O-CA 3.39Å; I51-S176 PolarHBondContact O-N 3.37Å
52D94.3Very high93.5Very high71 Ų7161.2 Ų61.238%0.3833%0.33SS..EExtended strand (participates in β ladder)trans-109.4-178.4-178.475.714000113.7S54 S55 S176D52-S54 PolarHBondContact O-N 3.49Å; D52-S54 WeakPolarHBondContact OD1-CA 3.35Å; D52-S54 WeakPolarHBondContact OD1-CB 3.47Å; D52-S54 PolarHBondContact OD1-N 3.25Å; D52-S54 PolarHBondContact OD1-OG 3.43Å; D52-S54 PolarHBondContact OD2-OG 3.34Å; D52-S55 PolarHBondContact O-N 2.92Å; D52-S55 PolarHBondContact OD1-N 2.96Å; D52-S176 WeakPolarHBondContact CA-O 2.8Å; D52-S176 WeakPolarHBondContact CB-O 3.48Å
53D91.8Very high93.5Very high29 Ų2961.5 Ų61.516%0.15533%0.332CS..THydrogen-bonded Turntrans-65.7-12.2-179.9-87-68.2000114.7R123 F177 C178D53-R123 IonicContact OD1-CZ 3.55Å; D53-R123 IonicContact OD1-NE 2.75Å; D53-R123 PolarHBondContact OD1-NE 3.24Å; D53-R123 IonicContact OD1-NH2 3.66Å; D53-R123 PolarHBondContact OD1-NH2 3.13Å; D53-R123 IonicContact OD2-NE 2.9Å; D53-F177 HydrophobicContact CB-CD1 4.38Å; D53-F177 VanDerWaalsContact OD2-CA 3.26Å; D53-F177 WeakPolarHBondContact OD2-CA 3.5Å; D53-F177 VanDerWaalsContact OD2-CB 3.26Å; D53-F177 WeakPolarHBondContact OD2-CB 3.42Å; D53-F177 WeakPolarHBondContact OD2-CD1 3.33Å; D53-C178 PolarHBondContact OD2-N 3.41Å
54S91.8Very high93.6Very high88 Ų8858 Ų5862%0.61531%0.314SS*.THydrogen-bonded Turntrans-92.8-15.2-178.377.70000113.7D52 E56D52-S54 PolarHBondContact O-N 3.49Å; D52-S54 WeakPolarHBondContact OD1-CA 3.35Å; D52-S54 WeakPolarHBondContact OD1-CB 3.47Å; D52-S54 PolarHBondContact OD1-N 3.25Å; D52-S54 PolarHBondContact OD1-OG 3.43Å; D52-S54 PolarHBondContact OD2-OG 3.34Å; S54-E56 PolarHBondContact O-N 2.9Å
55S93.8Very high93.9Very high12 Ų1252.1 Ų52.18%0.08429%0.286CS..  trans-63.2120.4177.9161.90000111.6D52 E57 F58 I59D52-S55 PolarHBondContact O-N 2.92Å; D52-S55 PolarHBondContact OD1-N 2.96Å; S55-E57 PolarHBondContact O-N 3.25Å; S55-E57 PolarHBondContact OG-N 3.01Å; S55-E57 PolarHBondContact OG-OE2 3.19Å; S55-F58 PolarHBondContact O-N 3.48Å; S55-F58 VanDerWaalsContact O-N 3.09Å; S55-F58 PolarHBondContact OG-N 3.49Å; S55-F58 VanDerWaalsContact OG-N 3.14Å; S55-I59 WeakPolarHBondContact O-CG1 3.36Å; S55-I59 PolarHBondContact O-N 3.45Å
56E93.3Very high94Very high158 Ų15848 Ų4874%0.73827%0.269SS*.Hα-helixtrans-57.8-35.7173.4-62.3-175.6161.500111.7S54 I59 N60S54-E56 PolarHBondContact O-N 2.9Å; E56-I59 PolarHBondContact O-N 2.91Å; E56-N60 VanDerWaalsContact O-CB 3.31Å; E56-N60 WeakPolarHBondContact O-CB 3.4Å; E56-N60 PolarHBondContact O-N 3.22Å
57E95.1Very high94.1Very high47 Ų4748.6 Ų48.622%0.2227%0.274CS..Hα-helixtrans-63.3-41.2176.2-53.390161.400111.7L42 K45 S55 F61L42-E57 HydrophobicContact CD2-CB 3.97Å; L42-E57 HydrophobicContact CG-CB 4.43Å; K45-E57 HydrophobicContact CB-CG 4.22Å; K45-E57 WeakPolarHBondContact CD-OE1 3.29Å; K45-E57 WeakPolarHBondContact CE-OE1 3.39Å; K45-E57 HydrophobicContact CG-CG 4.26Å; K45-E57 VanDerWaalsContact NZ-CD 3.33Å; K45-E57 IonicContact NZ-OE1 2.62Å; K45-E57 PolarHBondContact NZ-OE1 3.47Å; K45-E57 IonicContact NZ-OE2 2.65Å; K45-E57 PolarHBondContact NZ-OE2 2.84Å; K45-E57 VanDerWaalsContact NZ-OE2 3.17Å; S55-E57 PolarHBondContact O-N 3.25Å; S55-E57 PolarHBondContact OG-N 3.01Å; S55-E57 PolarHBondContact OG-OE2 3.19Å; E57-F61 WeakPolarHBondContact O-CB 3.32Å; E57-F61 PolarHBondContact O-N 3.05Å
58F96.1Very high94.6Very high0 Ų043 Ų430%024%0.239CC..Hα-helixtrans-71.3-45.5174.2169.4-111.6000112.7L42 I51 S55 N60 F61 A62 R123 L126 F175 F177L42-F58 HydrophobicContact CD2-CB 4.18Å; I51-F58 HydrophobicContact CG2-CB 3.82Å; S55-F58 PolarHBondContact O-N 3.48Å; S55-F58 VanDerWaalsContact O-N 3.09Å; S55-F58 PolarHBondContact OG-N 3.49Å; S55-F58 VanDerWaalsContact OG-N 3.14Å; F58-N60 PolarHBondContact O-N 2.98Å; F58-F61 HydrophobicContact CD2-CD1 4.37Å; F58-F61 PolarHBondContact O-N 3.44Å; F58-F61 VanDerWaalsContact O-N 3.13Å; F58-A62 HydrophobicContact CE2-CB 4.01Å; F58-A62 HydrophobicContact CZ-CB 4.05Å; F58-A62 WeakPolarHBondContact O-CB 3.1Å; F58-A62 PolarHBondContact O-N 3.44Å; F58-R123 HydrophobicContact CZ-CG 4.01Å; F58-L126 HydrophobicContact CD2-CD1 4.48Å; F58-L126 HydrophobicContact CE2-CD1 3.69Å; F58-F175 HydrophobicContact CD2-CE1 4.39Å; F58-F177 HydrophobicContact CD1-CD1 4.41Å; F58-F177 AromaticContact CD1-CE1 3.52Å; F58-F177 HydrophobicContact CD1-CE1 3.52Å; F58-F177 AromaticContact CD1-CZ 4Å; F58-F177 HydrophobicContact CD1-CZ 4Å; F58-F177 HydrophobicContact CD2-CE1 4Å; F58-F177 AromaticContact CD2-CZ 3.6Å; F58-F177 HydrophobicContact CD2-CZ 3.6Å; F58-F177 AromaticContact CE1-CD1 3.99Å; F58-F177 HydrophobicContact CE1-CD1 3.99Å; F58-F177 AromaticContact CE1-CE1 3.35Å; F58-F177 HydrophobicContact CE1-CE1 3.35Å; F58-F177 AromaticContact CE1-CZ 3.71Å; F58-F177 HydrophobicContact CE1-CZ 3.71Å; F58-F177 AromaticContact CE2-CE1 3.88Å; F58-F177 HydrophobicContact CE2-CE1 3.88Å; F58-F177 HydrophobicContact CE2-CE2 4.04Å; F58-F177 AromaticContact CE2-CZ 3.32Å; F58-F177 HydrophobicContact CE2-CZ 3.32Å; F58-F177 AromaticContact CG-CE1 3.84Å; F58-F177 HydrophobicContact CG-CE1 3.84Å; F58-F177 AromaticContact CG-CZ 3.94Å; F58-F177 HydrophobicContact CG-CZ 3.94Å; F58-F177 HydrophobicContact CZ-CD1 4.28Å; F58-F177 AromaticContact CZ-CE1 3.55Å; F58-F177 HydrophobicContact CZ-CE1 3.55Å; F58-F177 HydrophobicContact CZ-CE2 4Å; F58-F177 AromaticContact CZ-CZ 3.37Å; F58-F177 HydrophobicContact CZ-CZ 3.37Å
59I94.8Very high95.3Very high88 Ų8839.4 Ų39.445%0.45121%0.209SC..Hα-helixtrans-55.3-45.6178.1-69.1164.4000109.8S55 E56 A63S55-I59 WeakPolarHBondContact O-CG1 3.36Å; S55-I59 PolarHBondContact O-N 3.45Å; E56-I59 PolarHBondContact O-N 2.91Å; I59-A63 WeakPolarHBondContact O-CB 3.12Å; I59-A63 PolarHBondContact O-N 2.94Å
60N95.4Very high95.4Very high11 Ų1134.7 Ų34.76%0.05919%0.193CC..Hα-helixtrans-69-40.9178.2-158.316.4000112.2E56 F58 A63 V64 D193 Y197E56-N60 VanDerWaalsContact O-CB 3.31Å; E56-N60 WeakPolarHBondContact O-CB 3.4Å; E56-N60 PolarHBondContact O-N 3.22Å; F58-N60 PolarHBondContact O-N 2.98Å; N60-A63 PolarHBondContact O-N 3.24Å; N60-V64 VanDerWaalsContact O-CG2 3.23Å; N60-V64 WeakPolarHBondContact O-CG2 3.35Å; N60-V64 PolarHBondContact O-N 2.98Å; N60-D193 PolarHBondContact ND2-O 2.93Å; N60-D193 PolarHBondContact OD1-N 2.91Å; N60-D193 PolarHBondContact OD1-O 3.49Å; N60-Y197 VanDerWaalsContact ND2-CE2 3.33Å; N60-Y197 WeakPolarHBondContact ND2-CE2 3.39Å; N60-Y197 PolarHBondContact ND2-OH 3.41Å
61F97.6Very high95.4Very high0 Ų032.1 Ų32.10%018%0.176CC..Hα-helixtrans-59.5-48173.9171.3-102.7000112.8S38 V39 L42 E57 F58 A63 V64 L65 L126 L131 L167 V170S38-F61 WeakPolarHBondContact OG-CA 3.38Å; S38-F61 VanDerWaalsContact OG-CB 3.26Å; S38-F61 WeakPolarHBondContact OG-CB 3.38Å; S38-F61 PolarHBondContact OG-N 2.95Å; V39-F61 HydrophobicContact CG2-CD2 4.06Å; V39-F61 HydrophobicContact CG2-CE2 3.63Å; L42-F61 HydrophobicContact CD1-CB 3.48Å; L42-F61 VanDerWaalsContact CD1-CB 3.48Å; L42-F61 HydrophobicContact CD1-CD1 3.69Å; L42-F61 HydrophobicContact CD1-CD2 3.79Å; L42-F61 HydrophobicContact CD1-CE1 4.38Å; L42-F61 HydrophobicContact CD1-CE2 4.47Å; L42-F61 HydrophobicContact CD1-CG 3.35Å; L42-F61 HydrophobicContact CG-CB 4.23Å; E57-F61 WeakPolarHBondContact O-CB 3.32Å; E57-F61 PolarHBondContact O-N 3.05Å; F58-F61 HydrophobicContact CD2-CD1 4.37Å; F58-F61 PolarHBondContact O-N 3.44Å; F58-F61 VanDerWaalsContact O-N 3.13Å; F61-A63 VanDerWaalsContact C-N 3.27Å; F61-A63 PolarHBondContact O-N 2.91Å; F61-V64 PolarHBondContact O-N 3.32Å; F61-L65 HydrophobicContact CE1-CD2 4.17Å; F61-L65 HydrophobicContact CZ-CD2 4.05Å; F61-L65 WeakPolarHBondContact O-CB 3.27Å; F61-L65 PolarHBondContact O-N 3.06Å; F61-L126 HydrophobicContact CE1-CD1 4.15Å; F61-L126 HydrophobicContact CE1-CD2 4.17Å; F61-L131 HydrophobicContact CE1-CD2 4.43Å; F61-L131 HydrophobicContact CZ-CD2 4.31Å; F61-L167 HydrophobicContact CE2-CD2 4.12Å; F61-L167 HydrophobicContact CZ-CD2 3.71Å; F61-V170 HydrophobicContact CE1-CG1 4.48Å; F61-V170 HydrophobicContact CE2-CG2 4.18Å; F61-V170 HydrophobicContact CZ-CG1 4.3Å; F61-V170 HydrophobicContact CZ-CG2 4.11Å
62A96.9Very high95.2Very high13 Ų1336.3 Ų36.311%0.10719%0.191CC..Hα-helixtrans-60.4-39.9177.900000110.9F58 E66 M122F58-A62 HydrophobicContact CE2-CB 4.01Å; F58-A62 HydrophobicContact CZ-CB 4.05Å; F58-A62 WeakPolarHBondContact O-CB 3.1Å; F58-A62 PolarHBondContact O-N 3.44Å; A62-E66 WeakPolarHBondContact O-CB 3.48Å; A62-E66 PolarHBondContact O-N 2.74Å; A62-M122 HydrophobicContact CB-SD 3.86Å
63A95.9Very high95.1Very high7 Ų734.4 Ų34.46%0.05818%0.179CC..Hα-helixtrans-63.5-49.4174.100000112.5I59 N60 F61 L65 E66 H67 A190 V191 I192I59-A63 WeakPolarHBondContact O-CB 3.12Å; I59-A63 PolarHBondContact O-N 2.94Å; N60-A63 PolarHBondContact O-N 3.24Å; F61-A63 VanDerWaalsContact C-N 3.27Å; F61-A63 PolarHBondContact O-N 2.91Å; A63-L65 VanDerWaalsContact C-N 3.3Å; A63-L65 PolarHBondContact O-N 3.32Å; A63-E66 PolarHBondContact O-N 2.84Å; A63-H67 PolarHBondContact O-CD2 3.12Å; A63-H67 VanDerWaalsContact O-CD2 3.26Å; A63-H67 PolarHBondContact O-N 3.4Å; A63-A190 HydrophobicContact CB-CB 3.89Å; A63-V191 VanDerWaalsContact CB-O 3.25Å; A63-V191 WeakPolarHBondContact CB-O 3.34Å; A63-I192 HydrophobicContact CB-CG1 4.25Å
64V97.1Very high95.1Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-59.4-41.6178.1174.70000111.4V34 C35 N60 F61 H67 I68 I192V34-V64 HydrophobicContact CG1-CG1 4.28Å; V34-V64 HydrophobicContact CG1-CG2 3.61Å; C35-V64 HydrophobicContact CB-CG1 3.67Å; N60-V64 VanDerWaalsContact O-CG2 3.23Å; N60-V64 WeakPolarHBondContact O-CG2 3.35Å; N60-V64 PolarHBondContact O-N 2.98Å; F61-V64 PolarHBondContact O-N 3.32Å; V64-H67 PolarHBondContact O-N 3.27Å; V64-I68 HydrophobicContact CG1-CD1 4.03Å; V64-I68 WeakPolarHBondContact O-CG1 3.44Å; V64-I68 PolarHBondContact O-N 3.47Å; V64-I192 HydrophobicContact CB-CD1 4.43Å; V64-I192 HydrophobicContact CG2-CB 4.34Å; V64-I192 HydrophobicContact CG2-CD1 3.94Å; V64-I192 HydrophobicContact CG2-CG1 3.79Å; V64-I192 HydrophobicContact CG2-CG2 3.7Å
65L97.8Very high94.1Very high0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-69.1-41.2177.4-175.659.3000112.1F61 A63 H67 I68 L69 M122 L131 L163 L167F61-L65 HydrophobicContact CE1-CD2 4.17Å; F61-L65 HydrophobicContact CZ-CD2 4.05Å; F61-L65 WeakPolarHBondContact O-CB 3.27Å; F61-L65 PolarHBondContact O-N 3.06Å; A63-L65 VanDerWaalsContact C-N 3.3Å; A63-L65 PolarHBondContact O-N 3.32Å; L65-H67 VanDerWaalsContact C-N 3.31Å; L65-H67 PolarHBondContact O-N 3.26Å; L65-I68 PolarHBondContact O-N 2.69Å; L65-L69 HydrophobicContact CD1-CD1 4.15Å; L65-L69 HydrophobicContact CD1-CG 4.1Å; L65-L69 HydrophobicContact CG-CD1 3.98Å; L65-L69 HydrophobicContact CG-CG 4.35Å; L65-L69 WeakPolarHBondContact O-CB 3.21Å; L65-L69 VanDerWaalsContact O-CG 3.28Å; L65-L69 WeakPolarHBondContact O-CG 3.48Å; L65-L69 PolarHBondContact O-N 2.85Å; L65-M122 HydrophobicContact CB-CE 4.04Å; L65-M122 HydrophobicContact CB-SD 4.38Å; L65-M122 HydrophobicContact CD2-CE 3.85Å; L65-M122 HydrophobicContact CD2-CG 4.08Å; L65-M122 HydrophobicContact CD2-SD 3.89Å; L65-M122 HydrophobicContact CG-CE 3.84Å; L65-M122 HydrophobicContact CG-SD 4.4Å; L65-L131 HydrophobicContact CD2-CD1 4.33Å; L65-L131 HydrophobicContact CD2-CD2 3.64Å; L65-L131 HydrophobicContact CD2-CG 4.49Å; L65-L163 HydrophobicContact CD1-CD1 4.28Å; L65-L167 HydrophobicContact CD1-CD1 4.47Å; L65-L167 HydrophobicContact CD2-CD2 4.46Å
66E96.6Very high92.5Very high11 Ų1135.9 Ų35.95%0.05119%0.188CC..Hα-helixtrans-59.1-41.1172.9173.9160.1127.800111.5A62 A63 S70 Y86 R119 M122 A190A62-E66 WeakPolarHBondContact O-CB 3.48Å; A62-E66 PolarHBondContact O-N 2.74Å; A63-E66 PolarHBondContact O-N 2.84Å; E66-S70 WeakPolarHBondContact O-CB 3.39Å; E66-S70 PolarHBondContact O-N 2.81Å; E66-S70 PolarHBondContact O-OG 3.07Å; E66-Y86 HydrophobicContact CB-CE1 4.37Å; E66-Y86 HydrophobicContact CG-CE1 3.75Å; E66-Y86 PolarHBondContact OE2-OH 2.95Å; E66-R119 IonicContact OE1-CZ 3.17Å; E66-R119 IonicContact OE1-NE 3.2Å; E66-R119 PolarHBondContact OE1-NE 2.92Å; E66-R119 IonicContact OE1-NH2 3.79Å; E66-R119 PolarHBondContact OE1-NH2 2.92Å; E66-R119 WeakPolarHBondContact OE2-CG 3.33Å; E66-R119 IonicContact OE2-CZ 2.89Å; E66-R119 IonicContact OE2-NE 2.69Å; E66-R119 PolarHBondContact OE2-NE 3.25Å; E66-R119 IonicContact OE2-NH2 3.22Å; E66-M122 HydrophobicContact CB-CE 4.42Å; E66-A190 HydrophobicContact CB-CB 4.08Å; E66-A190 HydrophobicContact CG-CB 3.95Å; E66-A190 WeakPolarHBondContact OE1-CB 3.21Å
67H95.6Very high90.4Very high75 Ų7534.7 Ų34.735%0.34720%0.197SC..Hα-helixtrans-64-44174-88.3-87.9000112.5L31 A63 V64 L65 S70 H71 A190 I192L31-H67 HydrophobicContact CD2-CB 3.91Å; A63-H67 PolarHBondContact O-CD2 3.12Å; A63-H67 VanDerWaalsContact O-CD2 3.26Å; A63-H67 PolarHBondContact O-N 3.4Å; V64-H67 PolarHBondContact O-N 3.27Å; L65-H67 VanDerWaalsContact C-N 3.31Å; L65-H67 PolarHBondContact O-N 3.26Å; H67-S70 CarbonylContact O-C 3.57Å; H67-S70 PolarHBondContact O-N 3.43Å; H67-H71 WeakPolarHBondContact O-CB 3.49Å; H67-H71 PolarHBondContact O-N 3.13Å; H67-A190 PolarHBondContact NE2-O 3.38Å; H67-I192 HydrophobicContact CB-CD1 3.94Å
68I96.9Very high88.3Confident0 Ų035.1 Ų35.10%021%0.205CC..Hα-helixtrans-64-43.8177.5-72.5169.3000111.8L31 C35 V64 L65 S70 H71 I154 L163L31-I68 HydrophobicContact CB-CD1 4.41Å; L31-I68 HydrophobicContact CB-CG1 3.92Å; C35-I68 HydrophobicContact CB-CD1 3.6Å; V64-I68 HydrophobicContact CG1-CD1 4.03Å; V64-I68 WeakPolarHBondContact O-CG1 3.44Å; V64-I68 PolarHBondContact O-N 3.47Å; L65-I68 PolarHBondContact O-N 2.69Å; I68-S70 VanDerWaalsContact C-N 3.27Å; I68-S70 PolarHBondContact O-N 3.22Å; I68-H71 PolarHBondContact O-N 3.23Å; I68-I154 HydrophobicContact CB-CD1 4.33Å; I68-I154 HydrophobicContact CG1-CD1 4.02Å; I68-I154 HydrophobicContact CG2-CD1 4.03Å; I68-I154 HydrophobicContact CG2-CG2 4.13Å; I68-L163 HydrophobicContact CD1-CD1 4.14Å; I68-L163 HydrophobicContact CG2-CD1 4.23Å; I68-L163 HydrophobicContact CG2-CD2 3.56Å; I68-L163 HydrophobicContact CG2-CG 4.48Å
69L96.3Very high85.9Confident0 Ų044.7 Ų44.70%024%0.242CC..Hα-helixtrans-70.9-21.7176.7-64.8175.9000112.5L65 Y86 W121 M122 I135 Y149 M155L65-L69 HydrophobicContact CD1-CD1 4.15Å; L65-L69 HydrophobicContact CD1-CG 4.1Å; L65-L69 HydrophobicContact CG-CD1 3.98Å; L65-L69 HydrophobicContact CG-CG 4.35Å; L65-L69 WeakPolarHBondContact O-CB 3.21Å; L65-L69 VanDerWaalsContact O-CG 3.28Å; L65-L69 WeakPolarHBondContact O-CG 3.48Å; L65-L69 PolarHBondContact O-N 2.85Å; L69-Y86 HydrophobicContact CB-CD1 4.3Å; L69-Y86 HydrophobicContact CB-CD2 4.06Å; L69-Y86 HydrophobicContact CB-CG 3.78Å; L69-Y86 HydrophobicContact CD1-CD2 3.78Å; L69-Y86 HydrophobicContact CD1-CE2 4.02Å; L69-Y86 HydrophobicContact CD1-CG 4.37Å; L69-Y86 WeakPolarHBondContact O-CB 3.36Å; L69-W121 HydrophobicContact CD1-CZ3 4.16Å; L69-M122 HydrophobicContact CD1-CE 4.44Å; L69-I135 HydrophobicContact CD2-CD1 3.73Å; L69-Y149 VanDerWaalsContact O-CE1 3.28Å; L69-Y149 WeakPolarHBondContact O-CE1 3.29Å; L69-Y149 PolarHBondContact O-OH 2.73Å; L69-M155 HydrophobicContact CD2-CE 3.86Å; L69-M155 HydrophobicContact CD2-SD 4.09Å
70S94.9Very high83.5Confident49 Ų4949.4 Ų49.434%0.34326%0.259SS..Hα-helixtrans-94.9-10.9175.6-54.80000113.5E66 H67 I68 R72 F73E66-S70 WeakPolarHBondContact O-CB 3.39Å; E66-S70 PolarHBondContact O-N 2.81Å; E66-S70 PolarHBondContact O-OG 3.07Å; H67-S70 CarbonylContact O-C 3.57Å; H67-S70 PolarHBondContact O-N 3.43Å; I68-S70 VanDerWaalsContact C-N 3.27Å; I68-S70 PolarHBondContact O-N 3.22Å; S70-R72 PolarHBondContact O-N 3.28Å; S70-R72 VanDerWaalsContact O-N 3.08Å; S70-F73 VanDerWaalsContact O-CB 3.27Å; S70-F73 WeakPolarHBondContact O-CB 3.45Å; S70-F73 PolarHBondContact O-N 2.68Å
71H94.3Very high81.4Confident7 Ų752 Ų523%0.03227%0.273CS..THydrogen-bonded Turntrans-61.6113.5-173.6171.3-72.7000111.4E27 R28 L31 H67 I68 F73 G152 I154E27-H71 IonicContact OE1-CD2 2.67Å; E27-H71 IonicContact OE1-NE2 3.16Å; E27-H71 IonicContact OE2-NE2 3.55Å; R28-H71 VanDerWaalsContact CG-CE1 3.45Å; R28-H71 WeakPolarHBondContact CG-CE1 3.48Å; R28-H71 VanDerWaalsContact CG-NE2 3.27Å; R28-H71 WeakPolarHBondContact CG-NE2 3.39Å; L31-H71 HydrophobicContact CD1-CB 4.32Å; H67-H71 WeakPolarHBondContact O-CB 3.49Å; H67-H71 PolarHBondContact O-N 3.13Å; I68-H71 PolarHBondContact O-N 3.23Å; H71-F73 PolarHBondContact O-N 3.02Å; H71-G152 PolarHBondContact CE1-O 3.32Å; H71-I154 HydrophobicContact CB-CD1 4.06Å; H71-I154 HydrophobicContact CB-CG1 4.37Å; H71-I154 PolarHBondContact ND1-N 3.49Å
72R92.8Very high79.6Confident96 Ų9654.7 Ų54.736%0.36230%0.301SS..THydrogen-bonded Turntrans58.727.1-175.8-58.9-72.7-141.410011.1113.7S70 S150 E151 A153S70-R72 PolarHBondContact O-N 3.28Å; S70-R72 VanDerWaalsContact O-N 3.08Å; R72-S150 WeakPolarHBondContact O-CB 3.01Å; R72-S150 PolarHBondContact O-N 3.41Å; R72-S150 PolarHBondContact O-OG 2.89Å; R72-E151 PolarHBondContact NH1-O 3.4Å; R72-A153 HydrophobicContact CB-CB 3.9Å
73F92.7Very high78.4Confident32 Ų3261 Ų6114%0.1433%0.328CS..BIsolated β-bridgetrans-59.5139.4169.4-162.6-93000110.4S70 H71 G75 R84 S85 F148 Y149S70-F73 VanDerWaalsContact O-CB 3.27Å; S70-F73 WeakPolarHBondContact O-CB 3.45Å; S70-F73 PolarHBondContact O-N 2.68Å; H71-F73 PolarHBondContact O-N 3.02Å; F73-G75 PolarHBondContact O-N 2.92Å; F73-R84 HydrophobicContact CE1-CB 4.21Å; F73-S85 WeakPolarHBondContact CZ-O 3.44Å; F73-F148 HydrophobicContact CE1-CD1 4.21Å; F73-F148 HydrophobicContact CE2-CB 3.87Å; F73-F148 AromaticContact CE2-CD1 3.97Å; F73-F148 HydrophobicContact CE2-CD1 3.97Å; F73-F148 HydrophobicContact CE2-CG 4.28Å; F73-F148 HydrophobicContact CZ-CB 4.17Å; F73-F148 AromaticContact CZ-CD1 3.42Å; F73-F148 HydrophobicContact CZ-CD1 3.42Å; F73-F148 VanDerWaalsContact CZ-CD1 3.42Å; F73-F148 HydrophobicContact CZ-CE1 4.15Å; F73-F148 HydrophobicContact CZ-CG 4.18Å; F73-Y149 HydrophobicContact CB-CE1 4.42Å; F73-Y149 HydrophobicContact CD2-CD1 4.26Å; F73-Y149 AromaticContact CD2-CE1 3.72Å; F73-Y149 HydrophobicContact CD2-CE1 3.72Å; F73-Y149 HydrophobicContact CD2-CE2 4.33Å; F73-Y149 AromaticContact CD2-CZ 3.75Å; F73-Y149 HydrophobicContact CE2-CE2 4.46Å
74K91.3Very high77.9Confident87 Ų8765.6 Ų65.638%0.37834%0.344SS..  trans-79.2106.3175.6-72.9162.2168.6160.10108.3R146 R147 F148 Y149 S150K74-R146 PolarHBondContact NZ-O 2.94Å; K74-R147 WeakPolarHBondContact CD-O 2.78Å; K74-R147 PolarHBondContact NZ-O 3.42Å; K74-F148 WeakPolarHBondContact CB-O 3.24Å; K74-F148 PolarHBondContact N-O 2.87Å; K74-Y149 WeakPolarHBondContact CE-O 3.28Å; K74-Y149 PolarHBondContact NZ-O 3.4Å; K74-S150 WeakPolarHBondContact CG-OG 3.35Å
75G70.7Confident77.6Confident47 Ų4766 Ų6649%0.48535%0.346SS..  trans-58.8158.9173.500000112F73 S77F73-G75 PolarHBondContact O-N 2.92Å; G75-S77 PolarHBondContact O-N 3.41Å
76S61.3Low77.5Confident25 Ų2566 Ų6618%0.17535%0.347CS..  trans-57.3123.6172.5-175.40000109.9S78 D81S76-S78 PolarHBondContact O-N 3.5Å; S76-S78 PolarHBondContact OG-N 3.3Å; S76-S78 PolarHBondContact OG-O 2.98Å; S76-S78 VanDerWaalsContact OG-O 3.12Å; S76-D81 WeakPolarHBondContact CB-O 3.46Å; S76-D81 PolarHBondContact OG-O 3.47Å
77S48.7Very low77.4Confident133 Ų13365.8 Ų65.893%0.9335%0.345SS*.SBendtrans-83.42174.9-45.60000112.7G75G75-S77 PolarHBondContact O-N 3.41Å
78S50Low77.4Confident56 Ų5664.1 Ų64.139%0.39234%0.339SS..SBendtrans-117.7130.1-179.2176.70000110.5S76 F80 D81S76-S78 PolarHBondContact O-N 3.5Å; S76-S78 PolarHBondContact OG-N 3.3Å; S76-S78 PolarHBondContact OG-O 2.98Å; S76-S78 VanDerWaalsContact OG-O 3.12Å; S78-F80 PolarHBondContact O-N 3.36Å; S78-F80 PolarHBondContact OG-N 3.13Å; S78-D81 PolarHBondContact O-N 3.36Å
79W46Very low77.4Confident201 Ų20164.1 Ų64.176%0.76134%0.339SS*.THydrogen-bonded Turntrans-56.4-31.1174.4-173.5-64.4000112.6M392W79-M392 HydrophobicContact CH2-CG 4.27Å; W79-M392 HydrophobicContact CZ2-CE 3.84Å; W79-M392 HydrophobicContact CZ2-CG 3.88Å; W79-M392 HydrophobicContact CZ2-SD 4.15Å
80F45.3Very low77.4Confident187 Ų18764.1 Ų64.182%0.8234%0.339SS*.THydrogen-bonded Turntrans-96-17.2-174.2-62-79.1000114.3S78 G82S78-F80 PolarHBondContact O-N 3.36Å; S78-F80 PolarHBondContact OG-N 3.13Å; F80-G82 PolarHBondContact O-N 3.41Å
81D50.6Low77.5Confident66 Ų6667.2 Ų67.235%0.35334%0.343SS..SBendtrans-90.2107.3177.4-169.428.8000108.2S76 S78 R84S76-D81 WeakPolarHBondContact CB-O 3.46Å; S76-D81 PolarHBondContact OG-O 3.47Å; S78-D81 PolarHBondContact O-N 3.36Å; D81-R84 IonicContact OD2-CZ 3.43Å; D81-R84 IonicContact OD2-NE 2.69Å; D81-R84 PolarHBondContact OD2-NE 2.94Å; D81-R84 IonicContact OD2-NH2 3.14Å; D81-R84 PolarHBondContact OD2-NH2 3.19Å
82G59.2Low77.6Confident57 Ų5771 Ų7159%0.58836%0.364SS*.  trans-49.9146.8-169.600000112.9F80 R84F80-G82 PolarHBondContact O-N 3.41Å; G82-R84 PolarHBondContact O-N 3.21Å
83Q72.8Confident77.8Confident144 Ų14466.9 Ų66.967%0.67335%0.35SS*.  trans-47.795.7-168.4-69.9-66.5-44.100113.2
84R85.4Confident78Confident105 Ų10565.4 Ų65.440%0.39634%0.343SS..  trans-59.3141.3179.1-69.1-177.5179.2-126.1-3.9110.2F73 D81 G82 D88F73-R84 HydrophobicContact CE1-CB 4.21Å; D81-R84 IonicContact OD2-CZ 3.43Å; D81-R84 IonicContact OD2-NE 2.69Å; D81-R84 PolarHBondContact OD2-NE 2.94Å; D81-R84 IonicContact OD2-NH2 3.14Å; D81-R84 PolarHBondContact OD2-NH2 3.19Å; G82-R84 PolarHBondContact O-N 3.21Å; R84-D88 VanDerWaalsContact CA-OD2 3.25Å; R84-D88 WeakPolarHBondContact CA-OD2 3.5Å
85S91.2Very high78Confident7 Ų764.4 Ų64.45%0.04935%0.351CS..  trans-134.6176.6179.684.40000111.3F73 W87 D88 S114 R115F73-S85 WeakPolarHBondContact CZ-O 3.44Å; S85-W87 PolarHBondContact O-N 3.46Å; S85-W87 WeakPolarHBondContact OG-CB 3.35Å; S85-W87 PolarHBondContact OG-N 3.17Å; S85-D88 PolarHBondContact N-OD2 3.34Å; S85-D88 PolarHBondContact O-N 3.45Å; S85-S114 WeakPolarHBondContact CB-OG 3.37Å; S85-S114 PolarHBondContact N-OG 3.24Å; S85-S114 VanDerWaalsContact OG-C 3.29Å; S85-S114 PolarHBondContact OG-O 3.36Å; S85-S114 PolarHBondContact OG-OG 2.95Å; S85-R115 PolarHBondContact OG-N 3.45Å
86Y94.6Very high78.9Confident1 Ų171.7 Ų71.70%0.00437%0.37CS..Hα-helixtrans-52.8-24.4174.467.3-91.9000113.5E66 L69 D88 Y89 I90 R119 W121E66-Y86 HydrophobicContact CB-CE1 4.37Å; E66-Y86 HydrophobicContact CG-CE1 3.75Å; E66-Y86 PolarHBondContact OE2-OH 2.95Å; L69-Y86 HydrophobicContact CB-CD1 4.3Å; L69-Y86 HydrophobicContact CB-CD2 4.06Å; L69-Y86 HydrophobicContact CB-CG 3.78Å; L69-Y86 HydrophobicContact CD1-CD2 3.78Å; L69-Y86 HydrophobicContact CD1-CE2 4.02Å; L69-Y86 HydrophobicContact CD1-CG 4.37Å; L69-Y86 WeakPolarHBondContact O-CB 3.36Å; Y86-D88 VanDerWaalsContact C-N 3.35Å; Y86-D88 PolarHBondContact O-N 2.87Å; Y86-Y89 WeakPolarHBondContact O-CB 2.96Å; Y86-Y89 PolarHBondContact O-N 2.79Å; Y86-I90 WeakPolarHBondContact O-CG1 3.4Å; Y86-I90 PolarHBondContact O-N 3.31Å; Y86-R119 PolarHBondContact OH-N 2.82Å; Y86-W121 HydrophobicContact CE2-CE3 4.34Å; Y86-W121 HydrophobicContact CE2-CZ3 4.35Å
87W95.6Very high80.5Confident6 Ų670.9 Ų70.92%0.02336%0.364CS..Hα-helixtrans-57.7-42.7172.5174.3-116.6000113.2S85 Y89 I90 R91 I102 I105 E106 S114 K117 W121S85-W87 PolarHBondContact O-N 3.46Å; S85-W87 WeakPolarHBondContact OG-CB 3.35Å; S85-W87 PolarHBondContact OG-N 3.17Å; W87-Y89 PolarHBondContact O-N 2.99Å; W87-I90 HydrophobicContact CE3-CB 4.42Å; W87-I90 HydrophobicContact CE3-CG2 4.29Å; W87-I90 HydrophobicContact CZ3-CG2 4.16Å; W87-I90 PolarHBondContact O-N 2.95Å; W87-R91 HydrophobicContact CZ2-CB 4.43Å; W87-R91 VanDerWaalsContact O-CB 3.27Å; W87-R91 WeakPolarHBondContact O-CB 3.22Å; W87-R91 PolarHBondContact O-N 2.85Å; W87-I102 HydrophobicContact CH2-CB 4.34Å; W87-I102 HydrophobicContact CH2-CG1 4.37Å; W87-I102 HydrophobicContact CH2-CG2 3.92Å; W87-I102 HydrophobicContact CZ2-CG2 4.33Å; W87-I105 HydrophobicContact CH2-CB 3.89Å; W87-I105 HydrophobicContact CH2-CG2 3.67Å; W87-I105 HydrophobicContact CZ2-CB 4.1Å; W87-I105 HydrophobicContact CZ2-CG2 3.62Å; W87-I105 HydrophobicContact CZ3-CG2 4.33Å; W87-E106 HydrophobicContact CZ2-CG 4.1Å; W87-S114 WeakPolarHBondContact CB-O 3.01Å; W87-K117 HydrophobicContact CD2-CB 3.95Å; W87-K117 HydrophobicContact CG-CB 3.88Å; W87-K117 HydrophobicContact CZ2-CB 4.35Å; W87-W121 HydrophobicContact CE3-CB 3.74Å; W87-W121 HydrophobicContact CE3-CD2 4.47Å; W87-W121 HydrophobicContact CE3-CG 4Å; W87-W121 HydrophobicContact CH2-CB 4.17Å; W87-W121 HydrophobicContact CH2-CG 4.45Å; W87-W121 HydrophobicContact CZ3-CB 3.35Å; W87-W121 AromaticContact CZ3-CD1 3.78Å; W87-W121 HydrophobicContact CZ3-CD2 4.24Å; W87-W121 AromaticContact CZ3-CG 3.45Å; W87-W121 HydrophobicContact CZ3-CG 3.45Å; W87-W121 VanDerWaalsContact CZ3-CG 3.45Å
88D95.1Very high82.7Confident41 Ų4168.8 Ų68.822%0.21935%0.347CS..Hα-helixtrans-66.5-31.3-178.6-57.4-66.3000111.7R84 S85 Y86 L92 S114 F148R84-D88 VanDerWaalsContact CA-OD2 3.25Å; R84-D88 WeakPolarHBondContact CA-OD2 3.5Å; S85-D88 PolarHBondContact N-OD2 3.34Å; S85-D88 PolarHBondContact O-N 3.45Å; Y86-D88 VanDerWaalsContact C-N 3.35Å; Y86-D88 PolarHBondContact O-N 2.87Å; D88-L92 PolarHBondContact O-N 3.05Å; D88-S114 VanDerWaalsContact CG-OG 3.26Å; D88-S114 PolarHBondContact OD1-OG 3.42Å; D88-S114 WeakPolarHBondContact OD2-CB 3.27Å; D88-S114 PolarHBondContact OD2-OG 3.39Å; D88-F148 HydrophobicContact CB-CE1 3.91Å; D88-F148 HydrophobicContact CB-CZ 4.22Å
89Y96.2Very high84.7Confident0 Ų073.3 Ų73.30%037%0.367CS..Hα-helixtrans-68.6-51170.4162.8-111.2000111.7Y86 W87 L92 A93 A138 T144 T145 F148 Y149 M155Y86-Y89 WeakPolarHBondContact O-CB 2.96Å; Y86-Y89 PolarHBondContact O-N 2.79Å; W87-Y89 PolarHBondContact O-N 2.99Å; Y89-L92 PolarHBondContact O-N 3.26Å; Y89-A93 HydrophobicContact CD2-CB 4.2Å; Y89-A93 HydrophobicContact CE2-CB 3.82Å; Y89-A93 VanDerWaalsContact O-CB 3.29Å; Y89-A93 WeakPolarHBondContact O-CB 3.36Å; Y89-A93 PolarHBondContact O-N 3.42Å; Y89-A138 HydrophobicContact CE1-CB 3.97Å; Y89-A138 VanDerWaalsContact OH-C 3.29Å; Y89-A138 WeakPolarHBondContact OH-CB 3.43Å; Y89-A138 PolarHBondContact OH-O 3.47Å; Y89-T144 HydrophobicContact CD2-CG2 4.04Å; Y89-T144 HydrophobicContact CE2-CG2 4.25Å; Y89-T145 HydrophobicContact CE2-CG2 3.95Å; Y89-T145 WeakPolarHBondContact OH-CG2 3.18Å; Y89-T145 PolarHBondContact OH-OG1 3.23Å; Y89-T145 VanDerWaalsContact OH-OG1 3.08Å; Y89-F148 HydrophobicContact CD2-CB 4.13Å; Y89-F148 AromaticContact CD2-CD2 3.83Å; Y89-F148 HydrophobicContact CD2-CD2 3.83Å; Y89-F148 HydrophobicContact CD2-CG 4.23Å; Y89-F148 HydrophobicContact CG-CB 4.34Å; Y89-F148 HydrophobicContact CG-CD2 4.35Å; Y89-F148 HydrophobicContact CG-CG 4.43Å; Y89-Y149 AromaticContact CD1-CE2 3.69Å; Y89-Y149 HydrophobicContact CD1-CE2 3.69Å; Y89-Y149 WeakPolarHBondContact CD1-OH 3.11Å; Y89-Y149 HydrophobicContact CD2-CE2 4.01Å; Y89-Y149 AromaticContact CE1-CE2 3.78Å; Y89-Y149 HydrophobicContact CE1-CE2 3.78Å; Y89-Y149 HydrophobicContact CE2-CE2 4.12Å; Y89-Y149 AromaticContact CG-CE2 3.78Å; Y89-Y149 HydrophobicContact CG-CE2 3.78Å; Y89-Y149 AromaticContact CZ-CE2 3.98Å; Y89-M155 HydrophobicContact CE1-CE 3.92Å
90I97.6Very high87.1Confident0 Ų065.1 Ų65.10%034%0.34CS..Hα-helixtrans-60.5-48.3-179.7-69.1-64.8000110.9Y86 W87 L92 A93 C94 W121 I135 A138Y86-I90 WeakPolarHBondContact O-CG1 3.4Å; Y86-I90 PolarHBondContact O-N 3.31Å; W87-I90 HydrophobicContact CE3-CB 4.42Å; W87-I90 HydrophobicContact CE3-CG2 4.29Å; W87-I90 HydrophobicContact CZ3-CG2 4.16Å; W87-I90 PolarHBondContact O-N 2.95Å; I90-L92 VanDerWaalsContact C-N 3.27Å; I90-L92 PolarHBondContact O-N 3.43Å; I90-A93 PolarHBondContact O-N 3.34Å; I90-C94 WeakPolarHBondContact O-CB 3.48Å; I90-C94 PolarHBondContact O-N 3Å; I90-W121 HydrophobicContact CD1-CH2 3.83Å; I90-W121 HydrophobicContact CD1-CZ2 4.24Å; I90-W121 HydrophobicContact CD1-CZ3 4.31Å; I90-W121 HydrophobicContact CG1-CE3 4.46Å; I90-W121 HydrophobicContact CG1-CH2 4.02Å; I90-W121 HydrophobicContact CG1-CZ2 4.45Å; I90-W121 HydrophobicContact CG1-CZ3 4.02Å; I90-W121 HydrophobicContact CG2-CD2 3.84Å; I90-W121 HydrophobicContact CG2-CE3 4.23Å; I90-W121 HydrophobicContact CG2-CG 4.41Å; I90-W121 HydrophobicContact CG2-CH2 4.14Å; I90-W121 HydrophobicContact CG2-CZ2 3.73Å; I90-W121 HydrophobicContact CG2-CZ3 4.37Å; I90-I135 HydrophobicContact CD1-CD1 3.89Å; I90-A138 HydrophobicContact CD1-CB 4.29Å
91R96.4Very high89.5Confident114 Ų11456.4 Ų56.443%0.4330%0.302SS..Hα-helixtrans-47.5-49.5174.3172.1-176.2168.4122.429.8111.6W87 A95 I102 E106W87-R91 HydrophobicContact CZ2-CB 4.43Å; W87-R91 VanDerWaalsContact O-CB 3.27Å; W87-R91 WeakPolarHBondContact O-CB 3.22Å; W87-R91 PolarHBondContact O-N 2.85Å; R91-A95 WeakPolarHBondContact O-CB 3.31Å; R91-A95 PolarHBondContact O-N 2.61Å; R91-I102 HydrophobicContact CB-CG2 4.48Å; R91-I102 HydrophobicContact CG-CG2 4.24Å; R91-E106 WeakPolarHBondContact CD-OE1 3.45Å; R91-E106 WeakPolarHBondContact CG-OE1 3.27Å; R91-E106 IonicContact CZ-OE1 3.66Å; R91-E106 IonicContact CZ-OE2 2.75Å; R91-E106 IonicContact NE-OE1 2.68Å; R91-E106 PolarHBondContact NE-OE1 3.43Å; R91-E106 IonicContact NH1-OE1 3.64Å; R91-E106 PolarHBondContact NH1-OE1 3Å; R91-E106 IonicContact NH1-OE2 3.18Å; R91-E106 PolarHBondContact NH1-OE2 3.49Å; R91-E106 IonicContact NH2-OE1 3.35Å; R91-E106 PolarHBondContact NH2-OE1 3.39Å; R91-E106 IonicContact NH2-OE2 3.86Å; R91-E106 PolarHBondContact NH2-OE2 2.98Å
92L95.8Very high91.7Very high87 Ų8753.6 Ų53.646%0.45529%0.287SS..Hα-helixtrans-78.1-45.6-175.5-17162.8000112.6D88 Y89 I90 T144 F148D88-L92 PolarHBondContact O-N 3.05Å; Y89-L92 PolarHBondContact O-N 3.26Å; I90-L92 VanDerWaalsContact C-N 3.27Å; I90-L92 PolarHBondContact O-N 3.43Å; L92-T144 HydrophobicContact CB-CG2 4.22Å; L92-T144 HydrophobicContact CD2-CG2 3.92Å; L92-T144 HydrophobicContact CG-CG2 4.09Å; L92-F148 HydrophobicContact CB-CE2 4.5Å; L92-F148 HydrophobicContact CD2-CE2 4.04Å
93A96.8Very high93.3Very high9 Ų954.9 Ų54.97%0.07429%0.287CS..Hα-helixtrans-72.9-28.9-175.400000112.8Y89 I90 A138 T144Y89-A93 HydrophobicContact CD2-CB 4.2Å; Y89-A93 HydrophobicContact CE2-CB 3.82Å; Y89-A93 VanDerWaalsContact O-CB 3.29Å; Y89-A93 WeakPolarHBondContact O-CB 3.36Å; Y89-A93 PolarHBondContact O-N 3.42Å; I90-A93 PolarHBondContact O-N 3.34Å; A93-A138 HydrophobicContact CB-CB 3.88Å; A93-T144 HydrophobicContact CB-CG2 3.95Å
94C96.8Very high94.3Very high0 Ų051.5 Ų51.50%028%0.279CS..THydrogen-bonded Turntrans-100.16.3179.6-61.60000114.1I90 K96 V97 I102 Y134I90-C94 WeakPolarHBondContact O-CB 3.48Å; I90-C94 PolarHBondContact O-N 3Å; C94-K96 PolarHBondContact O-N 3.18Å; C94-V97 HydrophobicContact CB-CG2 3.89Å; C94-V97 WeakPolarHBondContact O-CB 3.24Å; C94-V97 WeakPolarHBondContact O-CG2 3.44Å; C94-V97 PolarHBondContact O-N 3.41Å; C94-I102 HydrophobicContact CB-CD1 3.58Å; C94-I102 WeakPolarHBondContact O-CD1 3.45Å; C94-Y134 HydrophobicContact CB-CD1 3.95Å; C94-Y134 PolarHBondContact SG-O 3.12Å
95A92.3Very high94.8Very high66 Ų6646.7 Ų46.755%0.54526%0.261SS..THydrogen-bonded Turntrans-57.2-14.9-177.700000115.1R91R91-A95 WeakPolarHBondContact O-CB 3.31Å; R91-A95 PolarHBondContact O-N 2.61Å
96K90.3Very high94.9Very high201 Ų20148.9 Ų48.987%0.87427%0.271SS*.THydrogen-bonded Turntrans-1043.3178.1-62.2-177.6179.9179.70114.1C94C94-K96 PolarHBondContact O-N 3.18Å
97V94.4Very high94.7Very high8 Ų853 Ų535%0.04830%0.3CS..SBendtrans-67.5122.8175.5172.20000108.4C94 S100 Y134 T137C94-V97 HydrophobicContact CB-CG2 3.89Å; C94-V97 WeakPolarHBondContact O-CB 3.24Å; C94-V97 WeakPolarHBondContact O-CG2 3.44Å; C94-V97 PolarHBondContact O-N 3.41Å; V97-S100 WeakPolarHBondContact O-CB 3.24Å; V97-S100 PolarHBondContact O-N 3.04Å; V97-Y134 HydrophobicContact CB-CD1 4.32Å; V97-Y134 HydrophobicContact CB-CE1 4.07Å; V97-Y134 HydrophobicContact CG1-CD1 4.1Å; V97-Y134 HydrophobicContact CG1-CE1 3.68Å; V97-Y134 HydrophobicContact CG2-CD1 4.04Å; V97-Y134 HydrophobicContact CG2-CE1 4.31Å; V97-T137 HydrophobicContact CG2-CG2 3.75Å
98P93.5Very high94.5Very high88 Ų8854.4 Ų54.457%0.57131%0.307SS*.THydrogen-bonded Turntrans-65.4142.7-178.327.7-34.6000110.2S100 R130P98-S100 PolarHBondContact O-N 3.47Å; P98-R130 PolarHBondContact O-NH1 3.08Å; P98-R130 PolarHBondContact O-NH2 2.99Å
99N93.8Very high94Very high152 Ų15260.7 Ų60.781%0.81334%0.335SS*.THydrogen-bonded Turntrans48.843-177.8-55.2-28.9000112.5R130N99-R130 PolarHBondContact O-NH1 2.86Å
100S95.2Very high93.4Very high28 Ų2865.7 Ų65.720%0.19636%0.362CS..  trans-76.3146.7179.775.40000112.5V97 P98 I102 Y134V97-S100 WeakPolarHBondContact O-CB 3.24Å; V97-S100 PolarHBondContact O-N 3.04Å; P98-S100 PolarHBondContact O-N 3.47Å; S100-I102 PolarHBondContact O-N 3.06Å; S100-Y134 WeakPolarHBondContact CA-OH 3.17Å
101C95.7Very high92.8Very high5 Ų566 Ų663%0.03436%0.363CS..SBendtrans-73.5-0.6172.659.60000114.1S103 S104 I105 V124 E128 Y134C101-S103 PolarHBondContact O-N 3.36Å; C101-S104 WeakPolarHBondContact O-CB 3.37Å; C101-S104 PolarHBondContact O-N 2.98Å; C101-S104 VanDerWaalsContact O-N 3.12Å; C101-I105 WeakPolarHBondContact O-CG1 3.26Å; C101-I105 PolarHBondContact O-N 3.01Å; C101-V124 HydrophobicContact CB-CB 4.34Å; C101-V124 HydrophobicContact CB-CG1 3.48Å; C101-V124 VanDerWaalsContact CB-CG1 3.48Å; C101-E128 WeakPolarHBondContact CB-OE1 3.46Å; C101-Y134 PolarHBondContact N-OH 3.02Å; C101-Y134 VanDerWaalsContact N-OH 3.15Å; C101-Y134 PolarHBondContact SG-OH 3.23Å
102I96.3Very high92.3Very high6 Ų666.8 Ų66.83%0.03138%0.376CS..Hα-helixtrans-58.7-50.7-170.3-63.7171000111.3W87 R91 C94 S100 S104 I105 E106W87-I102 HydrophobicContact CH2-CB 4.34Å; W87-I102 HydrophobicContact CH2-CG1 4.37Å; W87-I102 HydrophobicContact CH2-CG2 3.92Å; W87-I102 HydrophobicContact CZ2-CG2 4.33Å; R91-I102 HydrophobicContact CB-CG2 4.48Å; R91-I102 HydrophobicContact CG-CG2 4.24Å; C94-I102 HydrophobicContact CB-CD1 3.58Å; C94-I102 WeakPolarHBondContact O-CD1 3.45Å; S100-I102 PolarHBondContact O-N 3.06Å; I102-S104 VanDerWaalsContact C-N 3.27Å; I102-S104 PolarHBondContact O-N 3.21Å; I102-I105 PolarHBondContact O-N 2.93Å; I102-E106 HydrophobicContact CG2-CG 4.49Å; I102-E106 WeakPolarHBondContact CG2-OE1 3.14Å; I102-E106 WeakPolarHBondContact O-CG 3.33Å; I102-E106 PolarHBondContact O-N 2.98Å
103S94.7Very high92Very high85 Ų8565.9 Ų65.959%0.59437%0.374SS*.Hα-helixtrans-60.7-37178.8-52.20000112.5C101 E106 S107C101-S103 PolarHBondContact O-N 3.36Å; S103-E106 WeakPolarHBondContact O-CB 3.44Å; S103-E106 PolarHBondContact O-N 3.29Å; S103-S107 PolarHBondContact O-N 2.76Å; S103-S107 VanDerWaalsContact O-N 3.07Å; S103-S107 PolarHBondContact O-OG 3.08Å
104S93.8Very high91.8Very high73 Ų7366.6 Ų66.651%0.5138%0.379SS..Hα-helixtrans-64.1-48.1176.7-49.30000111.1C101 I102 E106 S107 M108C101-S104 WeakPolarHBondContact O-CB 3.37Å; C101-S104 PolarHBondContact O-N 2.98Å; C101-S104 VanDerWaalsContact O-N 3.12Å; I102-S104 VanDerWaalsContact C-N 3.27Å; I102-S104 PolarHBondContact O-N 3.21Å; S104-E106 VanDerWaalsContact C-N 3.3Å; S104-E106 PolarHBondContact O-N 3.01Å; S104-S107 PolarHBondContact O-N 3.34Å; S104-S107 PolarHBondContact O-OG 2.67Å; S104-M108 WeakPolarHBondContact O-CG 3.36Å; S104-M108 PolarHBondContact O-N 2.79Å
105I94.9Very high91.5Very high3 Ų370.5 Ų70.52%0.01539%0.393CS..Hα-helixtrans-62.4-36.8175.3-62.3-61.2000111.4W87 C101 I102 S107 M108 K117 A120 W121 V124W87-I105 HydrophobicContact CH2-CB 3.89Å; W87-I105 HydrophobicContact CH2-CG2 3.67Å; W87-I105 HydrophobicContact CZ2-CB 4.1Å; W87-I105 HydrophobicContact CZ2-CG2 3.62Å; W87-I105 HydrophobicContact CZ3-CG2 4.33Å; C101-I105 WeakPolarHBondContact O-CG1 3.26Å; C101-I105 PolarHBondContact O-N 3.01Å; I102-I105 PolarHBondContact O-N 2.93Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 3Å; I105-M108 HydrophobicContact CD1-SD 3.89Å; I105-M108 PolarHBondContact O-N 3.12Å; I105-K117 HydrophobicContact CG2-CB 3.76Å; I105-K117 HydrophobicContact CG2-CD 4.45Å; I105-K117 HydrophobicContact CG2-CG 4.12Å; I105-K117 WeakPolarHBondContact CG2-O 3.25Å; I105-A120 HydrophobicContact CD1-CB 3.87Å; I105-W121 HydrophobicContact CG1-CB 4.24Å; I105-W121 HydrophobicContact CG2-CB 4.45Å; I105-V124 HydrophobicContact CD1-CG2 3.94Å
106E92.9Very high91.5Very high53 Ų5367.6 Ų67.625%0.24837%0.369CS..Hα-helixtrans-62.2-38.7175.1-75.2-176.6-157.100112.8W87 R91 I102 S103 S104 M108 K117W87-E106 HydrophobicContact CZ2-CG 4.1Å; R91-E106 WeakPolarHBondContact CD-OE1 3.45Å; R91-E106 WeakPolarHBondContact CG-OE1 3.27Å; R91-E106 IonicContact CZ-OE1 3.66Å; R91-E106 IonicContact CZ-OE2 2.75Å; R91-E106 IonicContact NE-OE1 2.68Å; R91-E106 PolarHBondContact NE-OE1 3.43Å; R91-E106 IonicContact NH1-OE1 3.64Å; R91-E106 PolarHBondContact NH1-OE1 3Å; R91-E106 IonicContact NH1-OE2 3.18Å; R91-E106 PolarHBondContact NH1-OE2 3.49Å; R91-E106 IonicContact NH2-OE1 3.35Å; R91-E106 PolarHBondContact NH2-OE1 3.39Å; R91-E106 IonicContact NH2-OE2 3.86Å; R91-E106 PolarHBondContact NH2-OE2 2.98Å; I102-E106 HydrophobicContact CG2-CG 4.49Å; I102-E106 WeakPolarHBondContact CG2-OE1 3.14Å; I102-E106 WeakPolarHBondContact O-CG 3.33Å; I102-E106 PolarHBondContact O-N 2.98Å; S103-E106 WeakPolarHBondContact O-CB 3.44Å; S103-E106 PolarHBondContact O-N 3.29Å; S104-E106 VanDerWaalsContact C-N 3.3Å; S104-E106 PolarHBondContact O-N 3.01Å; E106-M108 VanDerWaalsContact C-N 3.31Å; E106-M108 PolarHBondContact O-N 3.31Å; E106-K117 PolarHBondContact O-NZ 2.84Å
107S91.8Very high91.7Very high87 Ų8759.8 Ų59.861%0.60834%0.335SS*.THydrogen-bonded Turntrans-78-2.9-17965.90000115.7S103 S104 I105 E109S103-S107 PolarHBondContact O-N 2.76Å; S103-S107 VanDerWaalsContact O-N 3.07Å; S103-S107 PolarHBondContact O-OG 3.08Å; S104-S107 PolarHBondContact O-N 3.34Å; S104-S107 PolarHBondContact O-OG 2.67Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 3Å; S107-E109 PolarHBondContact O-N 3.47Å; S107-E109 VanDerWaalsContact O-N 3.12Å
108M90.4Very high91.8Very high36 Ų3659.4 Ų59.418%0.17733%0.333CS..  trans-72.5103.6-178.5-64.3-170.67400112.6S104 I105 E106 N110 I111 L179S104-M108 WeakPolarHBondContact O-CG 3.36Å; S104-M108 PolarHBondContact O-N 2.79Å; I105-M108 HydrophobicContact CD1-SD 3.89Å; I105-M108 PolarHBondContact O-N 3.12Å; E106-M108 VanDerWaalsContact C-N 3.31Å; E106-M108 PolarHBondContact O-N 3.31Å; M108-N110 VanDerWaalsContact C-N 3.26Å; M108-N110 PolarHBondContact O-N 3.08Å; M108-I111 HydrophobicContact CB-CB 4.13Å; M108-I111 HydrophobicContact CB-CD1 4.36Å; M108-I111 HydrophobicContact CB-CG1 4.2Å; M108-I111 HydrophobicContact CE-CD1 3.45Å; M108-I111 VanDerWaalsContact CE-CD1 3.45Å; M108-I111 HydrophobicContact CE-CG1 4.14Å; M108-I111 PolarHBondContact O-N 3.38Å; M108-I111 HydrophobicContact SD-CD1 3.7Å; M108-L179 HydrophobicContact CE-CB 4.19Å; M108-L179 HydrophobicContact CE-CD1 4.47Å
109E84.6Confident91.9Very high174 Ų17456.2 Ų56.281%0.81331%0.31SS*.THydrogen-bonded Turntrans-65.1-24.5-179.7-59.8-176.7168.600114.3S107 I111 N112S107-E109 PolarHBondContact O-N 3.47Å; S107-E109 VanDerWaalsContact O-N 3.12Å; E109-I111 VanDerWaalsContact C-N 3.31Å; E109-N112 PolarHBondContact O-ND2 3.26Å; E109-N112 PolarHBondContact O-OD1 3.11Å; E109-N112 VanDerWaalsContact O-OD1 3.14Å
110N83.9Confident92Very high104 Ų10449 Ų4956%0.55627%0.271SS*.THydrogen-bonded Turntrans-83.7-2.8178.364.9-46.4000113.6M108M108-N110 VanDerWaalsContact C-N 3.26Å; M108-N110 PolarHBondContact O-N 3.08Å
111I85.1Confident92.1Very high6 Ų647.7 Ų47.73%0.03126%0.262CS..  trans-130.781.7-171.9-54-170.2000110M108 E109 A116 K117 A120 L184M108-I111 HydrophobicContact CB-CB 4.13Å; M108-I111 HydrophobicContact CB-CD1 4.36Å; M108-I111 HydrophobicContact CB-CG1 4.2Å; M108-I111 HydrophobicContact CE-CD1 3.45Å; M108-I111 VanDerWaalsContact CE-CD1 3.45Å; M108-I111 HydrophobicContact CE-CG1 4.14Å; M108-I111 PolarHBondContact O-N 3.38Å; M108-I111 HydrophobicContact SD-CD1 3.7Å; E109-I111 VanDerWaalsContact C-N 3.31Å; I111-A116 HydrophobicContact CG2-CB 3.46Å; I111-A116 VanDerWaalsContact CG2-CB 3.46Å; I111-K117 HydrophobicContact CB-CG 4.46Å; I111-K117 HydrophobicContact CG2-CB 4.45Å; I111-K117 HydrophobicContact CG2-CG 3.75Å; I111-K117 WeakPolarHBondContact O-CE 3.47Å; I111-K117 WeakPolarHBondContact O-CG 3.46Å; I111-A120 HydrophobicContact CD1-CB 3.78Å; I111-L184 HydrophobicContact CD1-CD1 3.61Å
112N85.4Confident92.2Very high132 Ų13247.5 Ų47.571%0.70626%0.261SS*.  trans-95.1-4.8-166.2-65.2-32.7000116E109E109-N112 PolarHBondContact O-ND2 3.26Å; E109-N112 PolarHBondContact O-OD1 3.11Å; E109-N112 VanDerWaalsContact O-OD1 3.14Å
113T89.6Confident92.2Very high67 Ų6748 Ų4841%0.41126%0.262SS..SBendtrans-104.1147.7178.176.50000112.1R115 A116 K117T113-R115 VanDerWaalsContact C-N 3.34Å; T113-R115 PolarHBondContact O-N 3.14Å; T113-A116 PolarHBondContact O-N 3.47Å; T113-A116 VanDerWaalsContact O-N 3.17Å; T113-A116 WeakPolarHBondContact OG1-CB 3.29Å; T113-A116 PolarHBondContact OG1-N 3.11Å; T113-K117 PolarHBondContact O-N 2.86Å
114S91.6Very high92.3Very high24 Ų2445 Ų4517%0.16824%0.24CC..Hα-helixtrans-55.5-46177.7173.80000112S85 W87 D88 A116 K117 G118S85-S114 WeakPolarHBondContact CB-OG 3.37Å; S85-S114 PolarHBondContact N-OG 3.24Å; S85-S114 VanDerWaalsContact OG-C 3.29Å; S85-S114 PolarHBondContact OG-O 3.36Å; S85-S114 PolarHBondContact OG-OG 2.95Å; W87-S114 WeakPolarHBondContact CB-O 3.01Å; D88-S114 VanDerWaalsContact CG-OG 3.26Å; D88-S114 PolarHBondContact OD1-OG 3.42Å; D88-S114 WeakPolarHBondContact OD2-CB 3.27Å; D88-S114 PolarHBondContact OD2-OG 3.39Å; S114-A116 PolarHBondContact O-N 2.98Å; S114-K117 PolarHBondContact O-N 3.22Å; S114-G118 PolarHBondContact O-N 3.08Å
115R91.5Very high92.5Very high82 Ų8241.5 Ų41.531%0.30922%0.216SC..Hα-helixtrans-59.6-44.1176.6-174.9178.3-64115.72112.5S85 T113 G118 R119 G186S85-R115 PolarHBondContact OG-N 3.45Å; T113-R115 VanDerWaalsContact C-N 3.34Å; T113-R115 PolarHBondContact O-N 3.14Å; R115-G118 PolarHBondContact O-N 3.06Å; R115-R119 PolarHBondContact O-N 3.46Å; R115-G186 PolarHBondContact NH1-O 3.36Å
116A92.9Very high92.7Very high5 Ų541.6 Ų41.64%0.04122%0.216CC..Hα-helixtrans-63.8-40.6178.500000112I111 T113 S114 G118 R119 A120 L184I111-A116 HydrophobicContact CG2-CB 3.46Å; I111-A116 VanDerWaalsContact CG2-CB 3.46Å; T113-A116 PolarHBondContact O-N 3.47Å; T113-A116 VanDerWaalsContact O-N 3.17Å; T113-A116 WeakPolarHBondContact OG1-CB 3.29Å; T113-A116 PolarHBondContact OG1-N 3.11Å; S114-A116 PolarHBondContact O-N 2.98Å; A116-G118 VanDerWaalsContact C-N 3.34Å; A116-R119 PolarHBondContact O-N 2.71Å; A116-A120 PolarHBondContact O-N 2.68Å; A116-L184 VanDerWaalsContact CA-O 3.29Å; A116-L184 WeakPolarHBondContact CA-O 3.27Å; A116-L184 WeakPolarHBondContact CB-O 3.41Å
117K94.5Very high92.9Very high37 Ų3743 Ų4316%0.16122%0.224CC..Hα-helixtrans-64-37.6172.4-69.7-166.7-176.3-1700112W87 I105 E106 I111 T113 S114 A120 W121W87-K117 HydrophobicContact CD2-CB 3.95Å; W87-K117 HydrophobicContact CG-CB 3.88Å; W87-K117 HydrophobicContact CZ2-CB 4.35Å; I105-K117 HydrophobicContact CG2-CB 3.76Å; I105-K117 HydrophobicContact CG2-CD 4.45Å; I105-K117 HydrophobicContact CG2-CG 4.12Å; I105-K117 WeakPolarHBondContact CG2-O 3.25Å; E106-K117 PolarHBondContact O-NZ 2.84Å; I111-K117 HydrophobicContact CB-CG 4.46Å; I111-K117 HydrophobicContact CG2-CB 4.45Å; I111-K117 HydrophobicContact CG2-CG 3.75Å; I111-K117 WeakPolarHBondContact O-CE 3.47Å; I111-K117 WeakPolarHBondContact O-CG 3.46Å; T113-K117 PolarHBondContact O-N 2.86Å; S114-K117 PolarHBondContact O-N 3.22Å; K117-A120 PolarHBondContact O-N 3.21Å; K117-W121 WeakPolarHBondContact O-CB 3.38Å; K117-W121 PolarHBondContact O-N 3.44Å
118G95.4Very high93.1Very high0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-59.3-45.9171.200000113.4S114 R115 A116 A120 W121 M122S114-G118 PolarHBondContact O-N 3.08Å; R115-G118 PolarHBondContact O-N 3.06Å; A116-G118 VanDerWaalsContact C-N 3.34Å; G118-A120 VanDerWaalsContact C-N 3.34Å; G118-A120 PolarHBondContact O-N 3.37Å; G118-W121 PolarHBondContact O-N 2.87Å; G118-M122 WeakPolarHBondContact O-CB 3.48Å; G118-M122 PolarHBondContact O-N 3.4Å
119R95.6Very high93.5Very high22 Ų2244.7 Ų44.78%0.08322%0.22CC..Hα-helixtrans-65.4-34.1176.8-72.8-178.7178.8-177.1-2.4113.2E66 Y86 R115 A116 R123 L184 D185 S188E66-R119 IonicContact OE1-CZ 3.17Å; E66-R119 IonicContact OE1-NE 3.2Å; E66-R119 PolarHBondContact OE1-NE 2.92Å; E66-R119 IonicContact OE1-NH2 3.79Å; E66-R119 PolarHBondContact OE1-NH2 2.92Å; E66-R119 WeakPolarHBondContact OE2-CG 3.33Å; E66-R119 IonicContact OE2-CZ 2.89Å; E66-R119 IonicContact OE2-NE 2.69Å; E66-R119 PolarHBondContact OE2-NE 3.25Å; E66-R119 IonicContact OE2-NH2 3.22Å; Y86-R119 PolarHBondContact OH-N 2.82Å; R115-R119 PolarHBondContact O-N 3.46Å; A116-R119 PolarHBondContact O-N 2.71Å; R119-R123 PolarHBondContact O-NH1 2.94Å; R119-R123 VanDerWaalsContact O-NH1 3.09Å; R119-L184 HydrophobicContact CB-CD2 4.21Å; R119-D185 PolarHBondContact NH1-O 2.95Å; R119-D185 IonicContact NH1-OD1 2.81Å; R119-S188 PolarHBondContact NH1-O 3.44Å; R119-S188 PolarHBondContact NH1-OG 3.12Å; R119-S188 PolarHBondContact NH2-O 2.68Å
120A96.1Very high94.1Very high0 Ų038.5 Ų38.50%019%0.19CC..Hα-helixtrans-73.3-45.2174.700000111.6I105 I111 A116 K117 G118 M122 R123 V124 L184I105-A120 HydrophobicContact CD1-CB 3.87Å; I111-A120 HydrophobicContact CD1-CB 3.78Å; A116-A120 PolarHBondContact O-N 2.68Å; K117-A120 PolarHBondContact O-N 3.21Å; G118-A120 VanDerWaalsContact C-N 3.34Å; G118-A120 PolarHBondContact O-N 3.37Å; A120-M122 VanDerWaalsContact C-N 3.34Å; A120-M122 PolarHBondContact O-N 3.17Å; A120-R123 PolarHBondContact O-N 3.05Å; A120-V124 PolarHBondContact O-N 3.4Å; A120-L184 HydrophobicContact CB-CD1 4.46Å; A120-L184 HydrophobicContact CB-CD2 4.11Å
121W97.2Very high94.8Very high0 Ų033.8 Ų33.80%016%0.164CC..Hα-helixtrans-57.8-44.7174.2163.475.9000112.3L69 Y86 W87 I90 I105 K117 G118 R123 V124 A125 L131 Y134 I135L69-W121 HydrophobicContact CD1-CZ3 4.16Å; Y86-W121 HydrophobicContact CE2-CE3 4.34Å; Y86-W121 HydrophobicContact CE2-CZ3 4.35Å; W87-W121 HydrophobicContact CE3-CB 3.74Å; W87-W121 HydrophobicContact CE3-CD2 4.47Å; W87-W121 HydrophobicContact CE3-CG 4Å; W87-W121 HydrophobicContact CH2-CB 4.17Å; W87-W121 HydrophobicContact CH2-CG 4.45Å; W87-W121 HydrophobicContact CZ3-CB 3.35Å; W87-W121 AromaticContact CZ3-CD1 3.78Å; W87-W121 HydrophobicContact CZ3-CD2 4.24Å; W87-W121 AromaticContact CZ3-CG 3.45Å; W87-W121 HydrophobicContact CZ3-CG 3.45Å; W87-W121 VanDerWaalsContact CZ3-CG 3.45Å; I90-W121 HydrophobicContact CD1-CH2 3.83Å; I90-W121 HydrophobicContact CD1-CZ2 4.24Å; I90-W121 HydrophobicContact CD1-CZ3 4.31Å; I90-W121 HydrophobicContact CG1-CE3 4.46Å; I90-W121 HydrophobicContact CG1-CH2 4.02Å; I90-W121 HydrophobicContact CG1-CZ2 4.45Å; I90-W121 HydrophobicContact CG1-CZ3 4.02Å; I90-W121 HydrophobicContact CG2-CD2 3.84Å; I90-W121 HydrophobicContact CG2-CE3 4.23Å; I90-W121 HydrophobicContact CG2-CG 4.41Å; I90-W121 HydrophobicContact CG2-CH2 4.14Å; I90-W121 HydrophobicContact CG2-CZ2 3.73Å; I90-W121 HydrophobicContact CG2-CZ3 4.37Å; I105-W121 HydrophobicContact CG1-CB 4.24Å; I105-W121 HydrophobicContact CG2-CB 4.45Å; K117-W121 WeakPolarHBondContact O-CB 3.38Å; K117-W121 PolarHBondContact O-N 3.44Å; G118-W121 PolarHBondContact O-N 2.87Å; W121-R123 VanDerWaalsContact C-N 3.27Å; W121-R123 PolarHBondContact O-N 3.25Å; W121-V124 PolarHBondContact O-N 3.25Å; W121-A125 HydrophobicContact CZ2-CB 4.26Å; W121-A125 VanDerWaalsContact O-CB 3.25Å; W121-A125 WeakPolarHBondContact O-CB 3.35Å; W121-A125 PolarHBondContact O-N 3.15Å; W121-L131 HydrophobicContact CH2-CD1 3.6Å; W121-L131 HydrophobicContact CZ2-CD1 3.97Å; W121-L131 HydrophobicContact CZ3-CD1 4.24Å; W121-Y134 HydrophobicContact CZ2-CD2 4.27Å; W121-Y134 AromaticContact CZ2-CG 3.98Å; W121-Y134 HydrophobicContact CZ2-CG 3.98Å; W121-Y134 AromaticContact NE1-CG 3.99Å; W121-I135 HydrophobicContact CH2-CD1 3.98Å
122M97.5Very high95.4Very high2 Ų234.6 Ų34.61%0.0117%0.171CC..Hα-helixtrans-56-44.5179.2-175.1-174.1-64.400111.3A62 L65 E66 L69 G118 A120 L126A62-M122 HydrophobicContact CB-SD 3.86Å; L65-M122 HydrophobicContact CB-CE 4.04Å; L65-M122 HydrophobicContact CB-SD 4.38Å; L65-M122 HydrophobicContact CD2-CE 3.85Å; L65-M122 HydrophobicContact CD2-CG 4.08Å; L65-M122 HydrophobicContact CD2-SD 3.89Å; L65-M122 HydrophobicContact CG-CE 3.84Å; L65-M122 HydrophobicContact CG-SD 4.4Å; E66-M122 HydrophobicContact CB-CE 4.42Å; L69-M122 HydrophobicContact CD1-CE 4.44Å; G118-M122 WeakPolarHBondContact O-CB 3.48Å; G118-M122 PolarHBondContact O-N 3.4Å; A120-M122 VanDerWaalsContact C-N 3.34Å; A120-M122 PolarHBondContact O-N 3.17Å; M122-L126 HydrophobicContact CG-CD1 4.2Å; M122-L126 WeakPolarHBondContact O-CB 3.17Å; M122-L126 WeakPolarHBondContact O-CD1 3.33Å; M122-L126 WeakPolarHBondContact O-CG 3.38Å; M122-L126 PolarHBondContact O-N 3.28Å
123R96.9Very high95.9Very high15 Ų1531.6 Ų31.66%0.05715%0.152CC..Hα-helixtrans-63.8-49176.4-75.1165.1170.280.23.2112.5D53 F58 R119 A120 W121 A125 L126 M127 F177 L179 A183D53-R123 IonicContact OD1-CZ 3.55Å; D53-R123 IonicContact OD1-NE 2.75Å; D53-R123 PolarHBondContact OD1-NE 3.24Å; D53-R123 IonicContact OD1-NH2 3.66Å; D53-R123 PolarHBondContact OD1-NH2 3.13Å; D53-R123 IonicContact OD2-NE 2.9Å; F58-R123 HydrophobicContact CZ-CG 4.01Å; R119-R123 PolarHBondContact O-NH1 2.94Å; R119-R123 VanDerWaalsContact O-NH1 3.09Å; A120-R123 PolarHBondContact O-N 3.05Å; W121-R123 VanDerWaalsContact C-N 3.27Å; W121-R123 PolarHBondContact O-N 3.25Å; R123-A125 PolarHBondContact O-N 2.95Å; R123-L126 WeakPolarHBondContact O-CB 3.36Å; R123-L126 PolarHBondContact O-N 3.33Å; R123-M127 WeakPolarHBondContact O-CG 3.28Å; R123-M127 PolarHBondContact O-N 3.22Å; R123-F177 HydrophobicContact CB-CB 4.15Å; R123-F177 HydrophobicContact CB-CD2 3.53Å; R123-F177 HydrophobicContact CB-CE2 4.19Å; R123-F177 HydrophobicContact CB-CG 4.06Å; R123-F177 HydrophobicContact CG-CB 4.21Å; R123-F177 HydrophobicContact CG-CD2 3.67Å; R123-F177 HydrophobicContact CG-CE2 4.11Å; R123-F177 HydrophobicContact CG-CG 3.9Å; R123-L179 HydrophobicContact CB-CD2 4Å; R123-A183 PolarHBondContact NH2-O 3.48Å
124V97Very high96.3Very high23 Ų2328.4 Ų28.414%0.13913%0.133CC..Hα-helixtrans-64.3-42.1179.31800000111.2C101 I105 A120 W121 L126 M127 E128 L179C101-V124 HydrophobicContact CB-CB 4.34Å; C101-V124 HydrophobicContact CB-CG1 3.48Å; C101-V124 VanDerWaalsContact CB-CG1 3.48Å; I105-V124 HydrophobicContact CD1-CG2 3.94Å; A120-V124 PolarHBondContact O-N 3.4Å; W121-V124 PolarHBondContact O-N 3.25Å; V124-L126 VanDerWaalsContact C-N 3.26Å; V124-L126 PolarHBondContact O-N 3.41Å; V124-M127 PolarHBondContact O-N 3.37Å; V124-E128 HydrophobicContact CG1-CG 4.25Å; V124-E128 WeakPolarHBondContact O-CB 3.38Å; V124-E128 WeakPolarHBondContact O-CG 3.39Å; V124-E128 PolarHBondContact O-N 3.34Å; V124-L179 HydrophobicContact CG2-CD1 3.6Å; V124-L179 HydrophobicContact CG2-CD2 4.09Å; V124-L179 HydrophobicContact CG2-CG 4.44Å
125A98.1Very high96.6Very high0 Ų027.3 Ų27.30%013%0.125CC..Hα-helixtrans-64.4-28.3176.500000113.4W121 R123 K129 R130 L131 Y134W121-A125 HydrophobicContact CZ2-CB 4.26Å; W121-A125 VanDerWaalsContact O-CB 3.25Å; W121-A125 WeakPolarHBondContact O-CB 3.35Å; W121-A125 PolarHBondContact O-N 3.15Å; R123-A125 PolarHBondContact O-N 2.95Å; A125-K129 PolarHBondContact O-N 3.18Å; A125-R130 PolarHBondContact O-N 2.79Å; A125-L131 HydrophobicContact CB-CB 4.22Å; A125-L131 HydrophobicContact CB-CD1 4.15Å; A125-L131 PolarHBondContact O-N 3.39Å; A125-Y134 HydrophobicContact CB-CD2 3.72Å; A125-Y134 HydrophobicContact CB-CE2 3.76Å
126L98.1Very high96.9Very high4 Ų424.6 Ų24.62%0.02112%0.12CC..Hα-helixtrans-74.5-46.6171.5-76.6166.3000112F58 F61 M122 R123 V124 E128 K129 L131 V170 F175 F177F58-L126 HydrophobicContact CD2-CD1 4.48Å; F58-L126 HydrophobicContact CE2-CD1 3.69Å; F61-L126 HydrophobicContact CE1-CD1 4.15Å; F61-L126 HydrophobicContact CE1-CD2 4.17Å; M122-L126 HydrophobicContact CG-CD1 4.2Å; M122-L126 WeakPolarHBondContact O-CB 3.17Å; M122-L126 WeakPolarHBondContact O-CD1 3.33Å; M122-L126 WeakPolarHBondContact O-CG 3.38Å; M122-L126 PolarHBondContact O-N 3.28Å; R123-L126 WeakPolarHBondContact O-CB 3.36Å; R123-L126 PolarHBondContact O-N 3.33Å; V124-L126 VanDerWaalsContact C-N 3.26Å; V124-L126 PolarHBondContact O-N 3.41Å; L126-E128 VanDerWaalsContact C-N 3.3Å; L126-E128 PolarHBondContact O-N 2.84Å; L126-K129 WeakPolarHBondContact O-CA 3.49Å; L126-K129 PolarHBondContact O-N 3.48Å; L126-L131 HydrophobicContact CD2-CB 4.26Å; L126-L131 HydrophobicContact CD2-CD2 3.52Å; L126-L131 HydrophobicContact CG-CD2 3.89Å; L126-V170 HydrophobicContact CD2-CG1 3.5Å; L126-F175 HydrophobicContact CB-CD2 3.89Å; L126-F175 HydrophobicContact CB-CE2 4.2Å; L126-F175 HydrophobicContact CB-CG 4.29Å; L126-F175 HydrophobicContact CD2-CD2 4.37Å; L126-F175 HydrophobicContact CD2-CE2 3.81Å; L126-F175 HydrophobicContact CD2-CZ 4.15Å; L126-F177 HydrophobicContact CB-CE2 3.91Å; L126-F177 HydrophobicContact CD1-CE2 4.04Å; L126-F177 HydrophobicContact CD1-CZ 4.38Å
127M97.4Very high97.1Very high84 Ų8425.9 Ų25.941%0.41413%0.127SC..Hα-helixtrans-62.1-36.6175.3-67.6174.873.600112.4R123 V124 K129 F175 F177R123-M127 WeakPolarHBondContact O-CG 3.28Å; R123-M127 PolarHBondContact O-N 3.22Å; V124-M127 PolarHBondContact O-N 3.37Å; M127-K129 PolarHBondContact O-N 2.95Å; M127-F175 HydrophobicContact CG-CB 4.09Å; M127-F177 HydrophobicContact CG-CD2 3.68Å; M127-F177 HydrophobicContact CG-CE2 4.35Å; M127-F177 HydrophobicContact CG-CG 4.44Å; M127-F177 HydrophobicContact SD-CB 3.74Å; M127-F177 HydrophobicContact SD-CD2 3.95Å; M127-F177 HydrophobicContact SD-CG 4.25Å
128E97.1Very high97.2Very high71 Ų7124.1 Ų24.133%0.33212%0.12SC..THydrogen-bonded Turntrans-70.2-11.4171.6-74.1179.8-177.900113.2C101 V124 L126 R130 Y134C101-E128 WeakPolarHBondContact CB-OE1 3.46Å; V124-E128 HydrophobicContact CG1-CG 4.25Å; V124-E128 WeakPolarHBondContact O-CB 3.38Å; V124-E128 WeakPolarHBondContact O-CG 3.39Å; V124-E128 PolarHBondContact O-N 3.34Å; L126-E128 VanDerWaalsContact C-N 3.3Å; L126-E128 PolarHBondContact O-N 2.84Å; E128-R130 HydrophobicContact CB-CB 4.16Å; E128-R130 HydrophobicContact CB-CG 4.16Å; E128-R130 WeakPolarHBondContact O-CG 3.43Å; E128-R130 PolarHBondContact O-N 2.58Å; E128-R130 IonicContact OE2-NH1 3.74Å; E128-Y134 PolarHBondContact OE2-OH 2.89Å; E128-Y134 VanDerWaalsContact OE2-OH 3.06Å
129K97.6Very high97.2Very high86 Ų8625.7 Ų25.737%0.37413%0.128SC..THydrogen-bonded Turntrans59.925.8-171.1-58.3-179.1171.3-156.50114.3A125 L126 M127 G171 I173 D174A125-K129 PolarHBondContact O-N 3.18Å; L126-K129 WeakPolarHBondContact O-CA 3.49Å; L126-K129 PolarHBondContact O-N 3.48Å; M127-K129 PolarHBondContact O-N 2.95Å; K129-G171 WeakPolarHBondContact CD-O 3.37Å; K129-I173 VanDerWaalsContact CE-O 3.27Å; K129-I173 WeakPolarHBondContact CE-O 3.48Å; K129-D174 WeakPolarHBondContact CE-OD1 3.36Å; K129-D174 IonicContact NZ-OD1 4Å; K129-D174 PolarHBondContact NZ-OD1 3.45Å
130R97.4Very high97.2Very high45 Ų4534.1 Ų34.117%0.1716%0.16CC..  trans-113.91.6-171.5-70.6175.276.3-161.48.3115.3P98 N99 A125 E128 S132 E133 Y134P98-R130 PolarHBondContact O-NH1 3.08Å; P98-R130 PolarHBondContact O-NH2 2.99Å; N99-R130 PolarHBondContact O-NH1 2.86Å; A125-R130 PolarHBondContact O-N 2.79Å; E128-R130 HydrophobicContact CB-CB 4.16Å; E128-R130 HydrophobicContact CB-CG 4.16Å; E128-R130 WeakPolarHBondContact O-CG 3.43Å; E128-R130 PolarHBondContact O-N 2.58Å; E128-R130 IonicContact OE2-NH1 3.74Å; R130-S132 PolarHBondContact O-N 2.72Å; R130-S132 VanDerWaalsContact O-N 3.14Å; R130-E133 HydrophobicContact CB-CB 4.49Å; R130-E133 IonicContact CZ-OE1 3.95Å; R130-E133 IonicContact CZ-OE2 3.02Å; R130-E133 IonicContact NE-OE1 2.72Å; R130-E133 IonicContact NE-OE2 3.19Å; R130-E133 PolarHBondContact NE-OE2 2.94Å; R130-E133 IonicContact NH2-OE1 3.17Å; R130-E133 PolarHBondContact NH2-OE1 2.64Å; R130-E133 IonicContact NH2-OE2 2.9Å; R130-E133 PolarHBondContact NH2-OE2 3.23Å; R130-E133 WeakPolarHBondContact O-CA 3.37Å; R130-E133 VanDerWaalsContact O-CB 3.32Å; R130-E133 WeakPolarHBondContact O-CB 3.38Å; R130-E133 PolarHBondContact O-N 3.39Å; R130-Y134 HydrophobicContact CB-CD2 4.09Å; R130-Y134 HydrophobicContact CB-CE2 3.82Å; R130-Y134 WeakPolarHBondContact O-CD2 3.42Å; R130-Y134 PolarHBondContact O-N 3.1Å
131L98.1Very high97.1Very high5 Ų536.7 Ų36.73%0.02617%0.174CC..Hα-helixtrans-50.2-41.8-179.3-179.664.4000113.3F61 L65 W121 A125 L126 Y134 I135 L167F61-L131 HydrophobicContact CE1-CD2 4.43Å; F61-L131 HydrophobicContact CZ-CD2 4.31Å; L65-L131 HydrophobicContact CD2-CD1 4.33Å; L65-L131 HydrophobicContact CD2-CD2 3.64Å; L65-L131 HydrophobicContact CD2-CG 4.49Å; W121-L131 HydrophobicContact CH2-CD1 3.6Å; W121-L131 HydrophobicContact CZ2-CD1 3.97Å; W121-L131 HydrophobicContact CZ3-CD1 4.24Å; A125-L131 HydrophobicContact CB-CB 4.22Å; A125-L131 HydrophobicContact CB-CD1 4.15Å; A125-L131 PolarHBondContact O-N 3.39Å; L126-L131 HydrophobicContact CD2-CB 4.26Å; L126-L131 HydrophobicContact CD2-CD2 3.52Å; L126-L131 HydrophobicContact CG-CD2 3.89Å; L131-Y134 PolarHBondContact O-N 3.02Å; L131-I135 HydrophobicContact CD1-CG1 4.46Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 2.89Å; L131-I135 VanDerWaalsContact O-N 3.07Å; L131-L167 HydrophobicContact CD2-CD2 3.84Å; L131-L167 HydrophobicContact CG-CD1 4.41Å; L131-L167 HydrophobicContact CG-CD2 4.48Å
132S97.4Very high96.9Very high23 Ų2339.9 Ų39.916%0.16120%0.196CC..Hα-helixtrans-65.8-38.4176.456.10000113.3R130 I135 A136R130-S132 PolarHBondContact O-N 2.72Å; R130-S132 VanDerWaalsContact O-N 3.14Å; S132-I135 PolarHBondContact O-N 3.39Å; S132-A136 WeakPolarHBondContact O-CB 3.4Å; S132-A136 PolarHBondContact O-N 3.38Å
133E97.3Very high96.8Very high69 Ų6948.3 Ų48.332%0.32223%0.228SC..Hα-helixtrans-62.3-45.7174.7-175.3-163.7151.100111.3R130 T137R130-E133 HydrophobicContact CB-CB 4.49Å; R130-E133 IonicContact CZ-OE1 3.95Å; R130-E133 IonicContact CZ-OE2 3.02Å; R130-E133 IonicContact NE-OE1 2.72Å; R130-E133 IonicContact NE-OE2 3.19Å; R130-E133 PolarHBondContact NE-OE2 2.94Å; R130-E133 IonicContact NH2-OE1 3.17Å; R130-E133 PolarHBondContact NH2-OE1 2.64Å; R130-E133 IonicContact NH2-OE2 2.9Å; R130-E133 PolarHBondContact NH2-OE2 3.23Å; R130-E133 WeakPolarHBondContact O-CA 3.37Å; R130-E133 VanDerWaalsContact O-CB 3.32Å; R130-E133 WeakPolarHBondContact O-CB 3.38Å; R130-E133 PolarHBondContact O-N 3.39Å; E133-T137 VanDerWaalsContact O-CB 3.3Å; E133-T137 WeakPolarHBondContact O-CB 3.36Å; E133-T137 PolarHBondContact O-N 2.71Å; E133-T137 PolarHBondContact O-OG1 3.41Å
134Y98.2Very high96.7Very high0 Ų048 Ų480%023%0.227CC..Hα-helixtrans-61.5-49.6176.4-73.1-73.5000111.4C94 V97 S100 C101 W121 A125 E128 R130 L131 A136 T137 A138C94-Y134 HydrophobicContact CB-CD1 3.95Å; C94-Y134 PolarHBondContact SG-O 3.12Å; V97-Y134 HydrophobicContact CB-CD1 4.32Å; V97-Y134 HydrophobicContact CB-CE1 4.07Å; V97-Y134 HydrophobicContact CG1-CD1 4.1Å; V97-Y134 HydrophobicContact CG1-CE1 3.68Å; V97-Y134 HydrophobicContact CG2-CD1 4.04Å; V97-Y134 HydrophobicContact CG2-CE1 4.31Å; S100-Y134 WeakPolarHBondContact CA-OH 3.17Å; C101-Y134 PolarHBondContact N-OH 3.02Å; C101-Y134 VanDerWaalsContact N-OH 3.15Å; C101-Y134 PolarHBondContact SG-OH 3.23Å; W121-Y134 HydrophobicContact CZ2-CD2 4.27Å; W121-Y134 AromaticContact CZ2-CG 3.98Å; W121-Y134 HydrophobicContact CZ2-CG 3.98Å; W121-Y134 AromaticContact NE1-CG 3.99Å; A125-Y134 HydrophobicContact CB-CD2 3.72Å; A125-Y134 HydrophobicContact CB-CE2 3.76Å; E128-Y134 PolarHBondContact OE2-OH 2.89Å; E128-Y134 VanDerWaalsContact OE2-OH 3.06Å; R130-Y134 HydrophobicContact CB-CD2 4.09Å; R130-Y134 HydrophobicContact CB-CE2 3.82Å; R130-Y134 WeakPolarHBondContact O-CD2 3.42Å; R130-Y134 PolarHBondContact O-N 3.1Å; L131-Y134 PolarHBondContact O-N 3.02Å; Y134-A136 PolarHBondContact O-N 3.44Å; Y134-T137 PolarHBondContact O-N 2.78Å; Y134-A138 WeakPolarHBondContact O-CB 3.49Å; Y134-A138 PolarHBondContact O-N 3.14Å
135I97.7Very high96.7Very high0 Ų047 Ų470%022%0.221CC..Hα-helixtrans-63.3-43.9179.6-65-54.1000111.3L69 I90 W121 L131 S132 T137 A138 L139 M155 L163 L167L69-I135 HydrophobicContact CD2-CD1 3.73Å; I90-I135 HydrophobicContact CD1-CD1 3.89Å; W121-I135 HydrophobicContact CH2-CD1 3.98Å; L131-I135 HydrophobicContact CD1-CG1 4.46Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 2.89Å; L131-I135 VanDerWaalsContact O-N 3.07Å; S132-I135 PolarHBondContact O-N 3.39Å; I135-T137 VanDerWaalsContact C-N 3.31Å; I135-T137 PolarHBondContact O-N 2.69Å; I135-A138 PolarHBondContact O-N 3.04Å; I135-L139 HydrophobicContact CG2-CD1 3.93Å; I135-L139 HydrophobicContact CG2-CG 4.48Å; I135-L139 VanDerWaalsContact O-CG 3.28Å; I135-L139 WeakPolarHBondContact O-CG 3.45Å; I135-L139 PolarHBondContact O-N 3.33Å; I135-M155 HydrophobicContact CG2-CE 4.48Å; I135-L163 HydrophobicContact CG2-CD2 4.37Å; I135-L167 HydrophobicContact CB-CD1 4.15Å; I135-L167 HydrophobicContact CG1-CD1 3.77Å; I135-L167 HydrophobicContact CG2-CD1 4.28Å
136A96.8Very high96.5Very high25 Ų2553.9 Ų53.921%0.20725%0.247CC..Hα-helixtrans-60-40.6175.200000112.2S132 Y134 R140 T164S132-A136 WeakPolarHBondContact O-CB 3.4Å; S132-A136 PolarHBondContact O-N 3.38Å; Y134-A136 PolarHBondContact O-N 3.44Å; A136-R140 WeakPolarHBondContact O-CG 3.39Å; A136-R140 PolarHBondContact O-N 2.92Å; A136-T164 HydrophobicContact CB-CG2 3.83Å
137T96.7Very high96.4Very high32 Ų3260.3 Ų60.320%0.19627%0.271CS..Hα-helixtrans-68.5-44.1177.8-590000111.4V97 E133 Y134 I135 L139 R140V97-T137 HydrophobicContact CG2-CG2 3.75Å; E133-T137 VanDerWaalsContact O-CB 3.3Å; E133-T137 WeakPolarHBondContact O-CB 3.36Å; E133-T137 PolarHBondContact O-N 2.71Å; E133-T137 PolarHBondContact O-OG1 3.41Å; Y134-T137 PolarHBondContact O-N 2.78Å; I135-T137 VanDerWaalsContact C-N 3.31Å; I135-T137 PolarHBondContact O-N 2.69Å; T137-L139 VanDerWaalsContact C-N 3.32Å; T137-L139 PolarHBondContact O-N 2.85Å; T137-R140 WeakPolarHBondContact O-CB 3.38Å; T137-R140 PolarHBondContact O-N 3.27Å; T137-R140 VanDerWaalsContact O-N 3.13Å
138A96.7Very high96.2Very high0 Ų057.2 Ų57.20%026%0.255CS..Hα-helixtrans-59.6-41.8178.500000112.3Y89 I90 A93 Y134 I135 R140 D141 T145Y89-A138 HydrophobicContact CE1-CB 3.97Å; Y89-A138 VanDerWaalsContact OH-C 3.29Å; Y89-A138 WeakPolarHBondContact OH-CB 3.43Å; Y89-A138 PolarHBondContact OH-O 3.47Å; I90-A138 HydrophobicContact CD1-CB 4.29Å; A93-A138 HydrophobicContact CB-CB 3.88Å; Y134-A138 WeakPolarHBondContact O-CB 3.49Å; Y134-A138 PolarHBondContact O-N 3.14Å; I135-A138 PolarHBondContact O-N 3.04Å; A138-R140 VanDerWaalsContact C-N 3.28Å; A138-R140 PolarHBondContact O-N 2.8Å; A138-D141 PolarHBondContact O-N 3.14Å; A138-T145 PolarHBondContact O-OG1 3.46Å
139L95.7Very high96.2Very high34 Ų3453.9 Ų53.918%0.17824%0.24CC..Hα-helixtrans-67.2-24.2178.6-68.7168.8000113.5I135 T137 S142 M155 A160I135-L139 HydrophobicContact CG2-CD1 3.93Å; I135-L139 HydrophobicContact CG2-CG 4.48Å; I135-L139 VanDerWaalsContact O-CG 3.28Å; I135-L139 WeakPolarHBondContact O-CG 3.45Å; I135-L139 PolarHBondContact O-N 3.33Å; T137-L139 VanDerWaalsContact C-N 3.32Å; T137-L139 PolarHBondContact O-N 2.85Å; L139-S142 PolarHBondContact O-OG 2.85Å; L139-M155 HydrophobicContact CD2-CB 4.36Å; L139-M155 HydrophobicContact CD2-CE 3.76Å; L139-M155 WeakPolarHBondContact CD2-O 3.33Å; L139-M155 HydrophobicContact CD2-SD 4.29Å; L139-M155 HydrophobicContact CG-CE 4.24Å; L139-A160 HydrophobicContact CD1-CB 3.72Å; L139-A160 HydrophobicContact CD2-CB 3.69Å; L139-A160 HydrophobicContact CG-CB 4.38Å
140R95.3Very high96Very high198 Ų19851.5 Ų51.575%0.74723%0.234SC*.Hα-helixtrans-70.7-30.5174.1-69168.6-174.51701.3112.4A136 T137 A138 S142A136-R140 WeakPolarHBondContact O-CG 3.39Å; A136-R140 PolarHBondContact O-N 2.92Å; T137-R140 WeakPolarHBondContact O-CB 3.38Å; T137-R140 PolarHBondContact O-N 3.27Å; T137-R140 VanDerWaalsContact O-N 3.13Å; A138-R140 VanDerWaalsContact C-N 3.28Å; A138-R140 PolarHBondContact O-N 2.8Å; R140-S142 PolarHBondContact O-N 3.32Å
141D95.1Very high95.7Very high55 Ų5554.7 Ų54.729%0.29425%0.251SS..  trans-83.467.1171.5-171.8-3.2000111.3A138 R143 T144 T145A138-D141 PolarHBondContact O-N 3.14Å; D141-R143 PolarHBondContact O-N 3.49Å; D141-R143 PolarHBondContact OD1-N 2.84Å; D141-T144 VanDerWaalsContact CG-OG1 3.22Å; D141-T144 PolarHBondContact O-N 3.31Å; D141-T144 PolarHBondContact OD1-N 3.02Å; D141-T144 PolarHBondContact OD1-OG1 3Å; D141-T144 WeakPolarHBondContact OD2-CB 3.44Å; D141-T144 PolarHBondContact OD2-OG1 2.83Å; D141-T145 PolarHBondContact O-N 2.86Å; D141-T145 PolarHBondContact O-OG1 3.37Å
142S93.9Very high95.4Very high66 Ų6654.8 Ų54.846%0.46225%0.253SS..Hα-helixtrans-59.2-21-179.9-46.60000113.4L139 R140 R146L139-S142 PolarHBondContact O-OG 2.85Å; R140-S142 PolarHBondContact O-N 3.32Å; S142-R146 WeakPolarHBondContact O-CB 3.3Å; S142-R146 VanDerWaalsContact O-CG 3.24Å; S142-R146 WeakPolarHBondContact O-CG 3.4Å; S142-R146 PolarHBondContact O-N 3.43Å
143R94.8Very high95.3Very high180 Ų18053.7 Ų53.768%0.67925%0.245SC*.Hα-helixtrans-69.7-45.7173.8-173.3-175.3-173-168.14110.4D141 R147D141-R143 PolarHBondContact O-N 3.49Å; D141-R143 PolarHBondContact OD1-N 2.84Å; R143-R147 WeakPolarHBondContact O-CG 3.44Å; R143-R147 PolarHBondContact O-N 2.9Å
144T94.9Very high95.2Very high7 Ų750.4 Ų50.44%0.04323%0.23CC..Hα-helixtrans-69.5-42.3175.4-65.80000111.5Y89 L92 A93 D141 R146 R147 F148Y89-T144 HydrophobicContact CD2-CG2 4.04Å; Y89-T144 HydrophobicContact CE2-CG2 4.25Å; L92-T144 HydrophobicContact CB-CG2 4.22Å; L92-T144 HydrophobicContact CD2-CG2 3.92Å; L92-T144 HydrophobicContact CG-CG2 4.09Å; A93-T144 HydrophobicContact CB-CG2 3.95Å; D141-T144 VanDerWaalsContact CG-OG1 3.22Å; D141-T144 PolarHBondContact O-N 3.31Å; D141-T144 PolarHBondContact OD1-N 3.02Å; D141-T144 PolarHBondContact OD1-OG1 3Å; D141-T144 WeakPolarHBondContact OD2-CB 3.44Å; D141-T144 PolarHBondContact OD2-OG1 2.83Å; T144-R146 PolarHBondContact O-N 3.06Å; T144-R147 WeakPolarHBondContact O-CB 3.42Å; T144-R147 PolarHBondContact O-N 2.9Å; T144-F148 HydrophobicContact CG2-CD2 3.95Å; T144-F148 HydrophobicContact CG2-CE2 3.96Å; T144-F148 WeakPolarHBondContact O-CD2 3.41Å; T144-F148 PolarHBondContact O-N 3.2Å
145T95.4Very high95.1Very high3 Ų350.7 Ų50.72%0.01823%0.231CC..Hα-helixtrans-59-44.3175.9-350000111.9Y89 A138 D141 R147 F148 Y149 M155 L156Y89-T145 HydrophobicContact CE2-CG2 3.95Å; Y89-T145 WeakPolarHBondContact OH-CG2 3.18Å; Y89-T145 PolarHBondContact OH-OG1 3.23Å; Y89-T145 VanDerWaalsContact OH-OG1 3.08Å; A138-T145 PolarHBondContact O-OG1 3.46Å; D141-T145 PolarHBondContact O-N 2.86Å; D141-T145 PolarHBondContact O-OG1 3.37Å; T145-R147 PolarHBondContact O-N 2.91Å; T145-F148 PolarHBondContact O-N 2.9Å; T145-Y149 HydrophobicContact CG2-CD2 3.62Å; T145-Y149 HydrophobicContact CG2-CE2 4.01Å; T145-Y149 WeakPolarHBondContact O-CD2 3.4Å; T145-Y149 PolarHBondContact O-N 3.42Å; T145-M155 HydrophobicContact CG2-CB 3.92Å; T145-M155 WeakPolarHBondContact CG2-O 3.2Å; T145-L156 HydrophobicContact CG2-CD2 3.73Å; T145-L156 HydrophobicContact CG2-CG 4.44Å
146R95.6Very high95Very high144 Ų14452.1 Ų52.154%0.54324%0.239SC..Hα-helixtrans-65.5-23.3176.9-73.7177.1-173.6-78.2-0.3114.1K74 S142 T144 L156K74-R146 PolarHBondContact NZ-O 2.94Å; S142-R146 WeakPolarHBondContact O-CB 3.3Å; S142-R146 VanDerWaalsContact O-CG 3.24Å; S142-R146 WeakPolarHBondContact O-CG 3.4Å; S142-R146 PolarHBondContact O-N 3.43Å; T144-R146 PolarHBondContact O-N 3.06Å; R146-L156 HydrophobicContact CB-CD2 4.37Å; R146-L156 HydrophobicContact CG-CD2 3.59Å
147R94.4Very high94.7Very high139 Ų13955.9 Ų55.953%0.52525%0.247SC..Hα-helixtrans-70.2-43.1173-74.4167.2165.8-172.8-8.9111.7K74 R143 T144 T145K74-R147 WeakPolarHBondContact CD-O 2.78Å; K74-R147 PolarHBondContact NZ-O 3.42Å; R143-R147 WeakPolarHBondContact O-CG 3.44Å; R143-R147 PolarHBondContact O-N 2.9Å; T144-R147 WeakPolarHBondContact O-CB 3.42Å; T144-R147 PolarHBondContact O-N 2.9Å; T145-R147 PolarHBondContact O-N 2.91Å
148F94.6Very high94.2Very high19 Ų1962.4 Ų62.48%0.08328%0.276CS..Hα-helixtrans-89.9-22.6-174.2-76.6-80.3000115.5F73 K74 D88 Y89 L92 T144 T145F73-F148 HydrophobicContact CE1-CD1 4.21Å; F73-F148 HydrophobicContact CE2-CB 3.87Å; F73-F148 AromaticContact CE2-CD1 3.97Å; F73-F148 HydrophobicContact CE2-CD1 3.97Å; F73-F148 HydrophobicContact CE2-CG 4.28Å; F73-F148 HydrophobicContact CZ-CB 4.17Å; F73-F148 AromaticContact CZ-CD1 3.42Å; F73-F148 HydrophobicContact CZ-CD1 3.42Å; F73-F148 VanDerWaalsContact CZ-CD1 3.42Å; F73-F148 HydrophobicContact CZ-CE1 4.15Å; F73-F148 HydrophobicContact CZ-CG 4.18Å; K74-F148 WeakPolarHBondContact CB-O 3.24Å; K74-F148 PolarHBondContact N-O 2.87Å; D88-F148 HydrophobicContact CB-CE1 3.91Å; D88-F148 HydrophobicContact CB-CZ 4.22Å; Y89-F148 HydrophobicContact CD2-CB 4.13Å; Y89-F148 AromaticContact CD2-CD2 3.83Å; Y89-F148 HydrophobicContact CD2-CD2 3.83Å; Y89-F148 HydrophobicContact CD2-CG 4.23Å; Y89-F148 HydrophobicContact CG-CB 4.34Å; Y89-F148 HydrophobicContact CG-CD2 4.35Å; Y89-F148 HydrophobicContact CG-CG 4.43Å; L92-F148 HydrophobicContact CB-CE2 4.5Å; L92-F148 HydrophobicContact CD2-CE2 4.04Å; T144-F148 HydrophobicContact CG2-CD2 3.95Å; T144-F148 HydrophobicContact CG2-CE2 3.96Å; T144-F148 WeakPolarHBondContact O-CD2 3.41Å; T144-F148 PolarHBondContact O-N 3.2Å; T145-F148 PolarHBondContact O-N 2.9Å
149Y95.8Very high93.7Very high1 Ų164.7 Ų64.70%0.00429%0.287CS..BIsolated β-bridgetrans-111.9148.9-178.1-66.6-87.7000113L69 F73 K74 Y89 T145 A153 M155L69-Y149 VanDerWaalsContact O-CE1 3.28Å; L69-Y149 WeakPolarHBondContact O-CE1 3.29Å; L69-Y149 PolarHBondContact O-OH 2.73Å; F73-Y149 HydrophobicContact CB-CE1 4.42Å; F73-Y149 HydrophobicContact CD2-CD1 4.26Å; F73-Y149 AromaticContact CD2-CE1 3.72Å; F73-Y149 HydrophobicContact CD2-CE1 3.72Å; F73-Y149 HydrophobicContact CD2-CE2 4.33Å; F73-Y149 AromaticContact CD2-CZ 3.75Å; F73-Y149 HydrophobicContact CE2-CE2 4.46Å; K74-Y149 WeakPolarHBondContact CE-O 3.28Å; K74-Y149 PolarHBondContact NZ-O 3.4Å; Y89-Y149 AromaticContact CD1-CE2 3.69Å; Y89-Y149 HydrophobicContact CD1-CE2 3.69Å; Y89-Y149 WeakPolarHBondContact CD1-OH 3.11Å; Y89-Y149 HydrophobicContact CD2-CE2 4.01Å; Y89-Y149 AromaticContact CE1-CE2 3.78Å; Y89-Y149 HydrophobicContact CE1-CE2 3.78Å; Y89-Y149 HydrophobicContact CE2-CE2 4.12Å; Y89-Y149 AromaticContact CG-CE2 3.78Å; Y89-Y149 HydrophobicContact CG-CE2 3.78Å; Y89-Y149 AromaticContact CZ-CE2 3.98Å; T145-Y149 HydrophobicContact CG2-CD2 3.62Å; T145-Y149 HydrophobicContact CG2-CE2 4.01Å; T145-Y149 WeakPolarHBondContact O-CD2 3.4Å; T145-Y149 PolarHBondContact O-N 3.42Å; Y149-A153 HydrophobicContact CD1-CB 3.88Å; Y149-A153 HydrophobicContact CG-CB 4.13Å; Y149-M155 HydrophobicContact CD1-CB 4.15Å; Y149-M155 HydrophobicContact CD1-CG 4.28Å; Y149-M155 HydrophobicContact CD2-CB 4.01Å; Y149-M155 HydrophobicContact CE1-CB 4.03Å; Y149-M155 HydrophobicContact CE1-CG 3.7Å; Y149-M155 HydrophobicContact CE2-CB 3.92Å; Y149-M155 HydrophobicContact CE2-CG 4.07Å; Y149-M155 HydrophobicContact CG-CB 4.14Å
150S94.4Very high93.5Very high37 Ų3763.2 Ų63.226%0.25928%0.279SS..  trans-87.3158.1173.9-56.90000111.9R72 K74 G152 A153R72-S150 WeakPolarHBondContact O-CB 3.01Å; R72-S150 PolarHBondContact O-N 3.41Å; R72-S150 PolarHBondContact O-OG 2.89Å; K74-S150 WeakPolarHBondContact CG-OG 3.35Å; S150-G152 PolarHBondContact O-N 3.14Å; S150-A153 VanDerWaalsContact O-CB 3.27Å; S150-A153 WeakPolarHBondContact O-CB 3.46Å; S150-A153 PolarHBondContact O-N 3.37Å
151E91.6Very high93.3Very high112 Ų11258.3 Ų58.352%0.52327%0.271SS..THydrogen-bonded Turntrans-55.5135.1180-178.848.4-13600111.8R72 R157R72-E151 PolarHBondContact NH1-O 3.4Å; E151-R157 IonicContact OE1-CZ 3.71Å; E151-R157 IonicContact OE1-NH1 3.75Å; E151-R157 PolarHBondContact OE1-NH1 3.24Å; E151-R157 IonicContact OE1-NH2 2.82Å; E151-R157 PolarHBondContact OE1-NH2 2.86Å; E151-R157 VanDerWaalsContact OE1-NH2 3.13Å
152G90.9Very high93.2Very high6 Ų659.4 Ų59.46%0.06228%0.28CS..THydrogen-bonded Turntrans80.49.4-171.800000115.5R28 H71 S150R28-G152 WeakPolarHBondContact CD-O 3.28Å; H71-G152 PolarHBondContact CE1-O 3.32Å; S150-G152 PolarHBondContact O-N 3.14Å
153A95.3Very high93.3Very high0 Ų056.2 Ų56.20%026%0.258CS..  trans-62.9153.2168.200000112.8R72 Y149 S150 M155 L156 R157R72-A153 HydrophobicContact CB-CB 3.9Å; Y149-A153 HydrophobicContact CD1-CB 3.88Å; Y149-A153 HydrophobicContact CG-CB 4.13Å; S150-A153 VanDerWaalsContact O-CB 3.27Å; S150-A153 WeakPolarHBondContact O-CB 3.46Å; S150-A153 PolarHBondContact O-N 3.37Å; A153-M155 VanDerWaalsContact C-N 3.33Å; A153-M155 PolarHBondContact O-N 3.28Å; A153-L156 HydrophobicContact CB-CB 4.41Å; A153-L156 HydrophobicContact CB-CD1 4.36Å; A153-L156 HydrophobicContact CB-CG 4.3Å; A153-L156 PolarHBondContact O-N 2.99Å; A153-R157 WeakPolarHBondContact O-CG 3.42Å
154I96.3Very high93.3Very high0 Ų048.7 Ų48.70%023%0.231CC..G310 helixtrans-57.4-49.4171.9-62.2172.3000109.8R28 L31 L32 I68 H71 L156 R157R28-I154 HydrophobicContact CB-CD1 4.46Å; R28-I154 HydrophobicContact CB-CG1 4.02Å; R28-I154 HydrophobicContact CG-CD1 4.28Å; R28-I154 HydrophobicContact CG-CG1 3.59Å; L31-I154 HydrophobicContact CB-CD1 4.21Å; L31-I154 HydrophobicContact CD1-CD1 3.98Å; L32-I154 HydrophobicContact CD2-CG2 4.27Å; I68-I154 HydrophobicContact CB-CD1 4.33Å; I68-I154 HydrophobicContact CG1-CD1 4.02Å; I68-I154 HydrophobicContact CG2-CD1 4.03Å; I68-I154 HydrophobicContact CG2-CG2 4.13Å; H71-I154 HydrophobicContact CB-CD1 4.06Å; H71-I154 HydrophobicContact CB-CG1 4.37Å; H71-I154 PolarHBondContact ND1-N 3.49Å; I154-L156 PolarHBondContact O-N 3.17Å; I154-R157 PolarHBondContact O-N 3.38Å; I154-R157 VanDerWaalsContact O-N 3.12Å
155M95.6Very high93.4Very high6 Ų650.4 Ų50.43%0.0325%0.25CS..G310 helixtrans-63.6-9.8-177-58.4-58.4-7800114.9L69 Y89 I135 L139 T145 Y149 A153 L163L69-M155 HydrophobicContact CD2-CE 3.86Å; L69-M155 HydrophobicContact CD2-SD 4.09Å; Y89-M155 HydrophobicContact CE1-CE 3.92Å; I135-M155 HydrophobicContact CG2-CE 4.48Å; L139-M155 HydrophobicContact CD2-CB 4.36Å; L139-M155 HydrophobicContact CD2-CE 3.76Å; L139-M155 WeakPolarHBondContact CD2-O 3.33Å; L139-M155 HydrophobicContact CD2-SD 4.29Å; L139-M155 HydrophobicContact CG-CE 4.24Å; T145-M155 HydrophobicContact CG2-CB 3.92Å; T145-M155 WeakPolarHBondContact CG2-O 3.2Å; Y149-M155 HydrophobicContact CD1-CB 4.15Å; Y149-M155 HydrophobicContact CD1-CG 4.28Å; Y149-M155 HydrophobicContact CD2-CB 4.01Å; Y149-M155 HydrophobicContact CE1-CB 4.03Å; Y149-M155 HydrophobicContact CE1-CG 3.7Å; Y149-M155 HydrophobicContact CE2-CB 3.92Å; Y149-M155 HydrophobicContact CE2-CG 4.07Å; Y149-M155 HydrophobicContact CG-CB 4.14Å; A153-M155 VanDerWaalsContact C-N 3.33Å; A153-M155 PolarHBondContact O-N 3.28Å; M155-L163 HydrophobicContact SD-CD2 4.18Å
156L94.6Very high93.4Very high30 Ų3051.4 Ų51.416%0.15726%0.255CS..G310 helixtrans-105.310.8178.6-70.9-179.1000113.9T145 R146 A153 I154T145-L156 HydrophobicContact CG2-CD2 3.73Å; T145-L156 HydrophobicContact CG2-CG 4.44Å; R146-L156 HydrophobicContact CB-CD2 4.37Å; R146-L156 HydrophobicContact CG-CD2 3.59Å; A153-L156 HydrophobicContact CB-CB 4.41Å; A153-L156 HydrophobicContact CB-CD1 4.36Å; A153-L156 HydrophobicContact CB-CG 4.3Å; A153-L156 PolarHBondContact O-N 2.99Å; I154-L156 PolarHBondContact O-N 3.17Å
157R90.6Very high93.5Very high104 Ų10444.6 Ų44.639%0.39223%0.23SC..SBendtrans-135.9164.6-170.8-71.2-99.5-156-80.63.8112E151 A153 I154 E159 A160E151-R157 IonicContact OE1-CZ 3.71Å; E151-R157 IonicContact OE1-NH1 3.75Å; E151-R157 PolarHBondContact OE1-NH1 3.24Å; E151-R157 IonicContact OE1-NH2 2.82Å; E151-R157 PolarHBondContact OE1-NH2 2.86Å; E151-R157 VanDerWaalsContact OE1-NH2 3.13Å; A153-R157 WeakPolarHBondContact O-CG 3.42Å; I154-R157 PolarHBondContact O-N 3.38Å; I154-R157 VanDerWaalsContact O-N 3.12Å; R157-E159 WeakPolarHBondContact CB-OE2 3.36Å; R157-E159 PolarHBondContact O-N 3.06Å; R157-E159 VanDerWaalsContact O-N 3.12Å; R157-A160 WeakPolarHBondContact O-CB 3.47Å; R157-A160 PolarHBondContact O-N 3.18Å
158E87.3Confident93.6Very high169 Ų16943.3 Ų43.379%0.7923%0.232SC*.THydrogen-bonded Turntrans-54.5-29.5177.5-66.2173.4-168.900112.9A160 T161E158-A160 PolarHBondContact O-N 2.88Å; E158-A160 VanDerWaalsContact O-N 3.1Å; E158-T161 WeakPolarHBondContact O-CB 3.33Å; E158-T161 PolarHBondContact O-N 2.97Å; E158-T161 PolarHBondContact O-OG1 3.29Å
159E84.9Confident93.5Very high49 Ų4943.8 Ų43.823%0.22924%0.242CC..Hα-helixtrans-62.7-18.7178.1-56.2113148.100113.6R28 L32 R157 T161 V162 L163R28-E159 IonicContact CZ-OE1 3.36Å; R28-E159 IonicContact CZ-OE2 2.74Å; R28-E159 IonicContact NH1-OE1 2.68Å; R28-E159 PolarHBondContact NH1-OE1 3.27Å; R28-E159 VanDerWaalsContact NH1-OE1 3.08Å; R28-E159 IonicContact NH1-OE2 3.13Å; R28-E159 PolarHBondContact NH1-OE2 2.94Å; R28-E159 IonicContact NH2-OE1 3.71Å; R28-E159 PolarHBondContact NH2-OE1 3.33Å; R28-E159 IonicContact NH2-OE2 3.34Å; L32-E159 HydrophobicContact CD1-CB 3.53Å; L32-E159 HydrophobicContact CD1-CG 4.12Å; R157-E159 WeakPolarHBondContact CB-OE2 3.36Å; R157-E159 PolarHBondContact O-N 3.06Å; R157-E159 VanDerWaalsContact O-N 3.12Å; E159-T161 PolarHBondContact O-N 3.26Å; E159-V162 WeakPolarHBondContact O-CB 3.39Å; E159-V162 PolarHBondContact O-N 2.9Å; E159-L163 PolarHBondContact O-N 2.93Å
160A91.3Very high93.6Very high2 Ų243.9 Ų43.92%0.01724%0.243CC..Hα-helixtrans-67.6-22.4171.500000113.5L139 R157 E158 T164L139-A160 HydrophobicContact CD1-CB 3.72Å; L139-A160 HydrophobicContact CD2-CB 3.69Å; L139-A160 HydrophobicContact CG-CB 4.38Å; R157-A160 WeakPolarHBondContact O-CB 3.47Å; R157-A160 PolarHBondContact O-N 3.18Å; E158-A160 PolarHBondContact O-N 2.88Å; E158-A160 VanDerWaalsContact O-N 3.1Å; A160-T164 PolarHBondContact O-N 2.94Å; A160-T164 PolarHBondContact O-OG1 2.88Å
161T91.7Very high93.6Very high96 Ų9643.2 Ų43.259%0.58924%0.242SC*.Hα-helixtrans-69.4-37.5171.167.20000111.1E158 E159 T164 G165E158-T161 WeakPolarHBondContact O-CB 3.33Å; E158-T161 PolarHBondContact O-N 2.97Å; E158-T161 PolarHBondContact O-OG1 3.29Å; E159-T161 PolarHBondContact O-N 3.26Å; T161-T164 WeakPolarHBondContact O-CB 3.33Å; T161-T164 PolarHBondContact O-N 3.42Å; T161-G165 PolarHBondContact O-N 3.19Å
162V93.3Very high93.8Very high77 Ų7740.8 Ų40.847%0.46724%0.241SC..Hα-helixtrans-64.4-43.3174.5-174.50000110.5E159 T164 G165 M166E159-V162 WeakPolarHBondContact O-CB 3.39Å; E159-V162 PolarHBondContact O-N 2.9Å; V162-T164 VanDerWaalsContact C-N 3.35Å; V162-T164 PolarHBondContact O-N 3.06Å; V162-G165 PolarHBondContact O-N 3.25Å; V162-M166 HydrophobicContact CG1-CE 4.43Å; V162-M166 WeakPolarHBondContact O-CG 3.33Å; V162-M166 PolarHBondContact O-N 2.8Å
163L95.8Very high94.1Very high0 Ų040.5 Ų40.50%024%0.238CC..Hα-helixtrans-54.2-51.1171.3176.466.9000111.3L32 L65 I68 I135 M155 E159 G165 M166 L167L32-L163 HydrophobicContact CD2-CB 4.22Å; L65-L163 HydrophobicContact CD1-CD1 4.28Å; I68-L163 HydrophobicContact CD1-CD1 4.14Å; I68-L163 HydrophobicContact CG2-CD1 4.23Å; I68-L163 HydrophobicContact CG2-CD2 3.56Å; I68-L163 HydrophobicContact CG2-CG 4.48Å; I135-L163 HydrophobicContact CG2-CD2 4.37Å; M155-L163 HydrophobicContact SD-CD2 4.18Å; E159-L163 PolarHBondContact O-N 2.93Å; L163-G165 VanDerWaalsContact C-N 3.3Å; L163-G165 PolarHBondContact O-N 2.75Å; L163-M166 HydrophobicContact CD1-CE 4.36Å; L163-M166 PolarHBondContact O-N 3.24Å; L163-M166 VanDerWaalsContact O-N 3.14Å; L163-L167 HydrophobicContact CD1-CD1 4.22Å; L163-L167 HydrophobicContact CD1-CG 4.3Å; L163-L167 HydrophobicContact CG-CD1 4.04Å; L163-L167 HydrophobicContact CG-CG 4.47Å; L163-L167 WeakPolarHBondContact O-CG 3.29Å; L163-L167 PolarHBondContact O-N 3.39Å
164T96.1Very high94.2Very high21 Ų2143.4 Ų43.413%0.12925%0.254CS..Hα-helixtrans-57.9-43.8179.3-54.30000111.4A136 A160 T161 V162 M166 L167 I168A136-T164 HydrophobicContact CB-CG2 3.83Å; A160-T164 PolarHBondContact O-N 2.94Å; A160-T164 PolarHBondContact O-OG1 2.88Å; T161-T164 WeakPolarHBondContact O-CB 3.33Å; T161-T164 PolarHBondContact O-N 3.42Å; V162-T164 VanDerWaalsContact C-N 3.35Å; V162-T164 PolarHBondContact O-N 3.06Å; T164-M166 PolarHBondContact O-N 3.24Å; T164-L167 PolarHBondContact O-N 3.43Å; T164-I168 WeakPolarHBondContact O-CG1 3.36Å; T164-I168 PolarHBondContact O-N 3.23Å; T164-I168 VanDerWaalsContact O-N 3.13Å
165G95.6Very high94.2Very high43 Ų4344.2 Ų44.244%0.44326%0.257SS..Hα-helixtrans-60.9-39.4175.800000113.9T161 V162 L163 I168T161-G165 PolarHBondContact O-N 3.19Å; V162-G165 PolarHBondContact O-N 3.25Å; L163-G165 VanDerWaalsContact C-N 3.3Å; L163-G165 PolarHBondContact O-N 2.75Å; G165-I168 PolarHBondContact O-N 2.9Å
166M95.4Very high94.2Very high25 Ų2547.2 Ų47.212%0.12328%0.279CS..Hα-helixtrans-66.2-40.3174.3-65.8-175.7-6300111.8L32 C35 R36 V39 V162 L163 T164 I168 G169L32-M166 HydrophobicContact CD2-CE 4.11Å; C35-M166 HydrophobicContact CB-CE 4Å; R36-M166 WeakPolarHBondContact CA-SD 3.46Å; R36-M166 HydrophobicContact CB-SD 3.52Å; R36-M166 VanDerWaalsContact CB-SD 3.52Å; R36-M166 HydrophobicContact CG-SD 3.98Å; V39-M166 HydrophobicContact CG2-CB 4.37Å; V162-M166 HydrophobicContact CG1-CE 4.43Å; V162-M166 WeakPolarHBondContact O-CG 3.33Å; V162-M166 PolarHBondContact O-N 2.8Å; L163-M166 HydrophobicContact CD1-CE 4.36Å; L163-M166 PolarHBondContact O-N 3.24Å; L163-M166 VanDerWaalsContact O-N 3.14Å; T164-M166 PolarHBondContact O-N 3.24Å; M166-I168 VanDerWaalsContact C-N 3.29Å; M166-I168 PolarHBondContact O-N 3.5Å; M166-G169 PolarHBondContact O-N 2.93Å
167L97.6Very high94.3Very high1 Ų146.5 Ų46.51%0.00528%0.275CS..Hα-helixtrans-69-22179.2-65.5176.2000113.9F61 L65 L131 I135 L163 T164 G169 V170F61-L167 HydrophobicContact CE2-CD2 4.12Å; F61-L167 HydrophobicContact CZ-CD2 3.71Å; L65-L167 HydrophobicContact CD1-CD1 4.47Å; L65-L167 HydrophobicContact CD2-CD2 4.46Å; L131-L167 HydrophobicContact CD2-CD2 3.84Å; L131-L167 HydrophobicContact CG-CD1 4.41Å; L131-L167 HydrophobicContact CG-CD2 4.48Å; I135-L167 HydrophobicContact CB-CD1 4.15Å; I135-L167 HydrophobicContact CG1-CD1 3.77Å; I135-L167 HydrophobicContact CG2-CD1 4.28Å; L163-L167 HydrophobicContact CD1-CD1 4.22Å; L163-L167 HydrophobicContact CD1-CG 4.3Å; L163-L167 HydrophobicContact CG-CD1 4.04Å; L163-L167 HydrophobicContact CG-CG 4.47Å; L163-L167 WeakPolarHBondContact O-CG 3.29Å; L163-L167 PolarHBondContact O-N 3.39Å; T164-L167 PolarHBondContact O-N 3.43Å; L167-G169 VanDerWaalsContact C-N 3.32Å; L167-V170 HydrophobicContact CD2-CG2 4.42Å; L167-V170 PolarHBondContact O-N 2.72Å
168I96.9Very high94.1Very high112 Ų11246.1 Ų46.157%0.57429%0.287SS*.Hα-helixtrans-62.1-42.1172-69.1168.2000110.5T164 G165 M166 V170 G171T164-I168 WeakPolarHBondContact O-CG1 3.36Å; T164-I168 PolarHBondContact O-N 3.23Å; T164-I168 VanDerWaalsContact O-N 3.13Å; G165-I168 PolarHBondContact O-N 2.9Å; M166-I168 VanDerWaalsContact C-N 3.29Å; M166-I168 PolarHBondContact O-N 3.5Å; I168-V170 VanDerWaalsContact C-N 3.3Å; I168-V170 PolarHBondContact O-N 2.74Å; I168-G171 PolarHBondContact O-N 2.88Å; I168-G171 VanDerWaalsContact O-N 3.16Å
169G93.2Very high94Very high29 Ų2940.3 Ų40.330%0.29926%0.261SS..Hα-helixtrans-62.7-35.4177.500000113.1M166 L167 G171 A172M166-G169 PolarHBondContact O-N 2.93Å; L167-G169 VanDerWaalsContact C-N 3.32Å; G169-G171 PolarHBondContact O-N 3.04Å; G169-A172 WeakPolarHBondContact O-CB 3.38Å; G169-A172 PolarHBondContact O-N 3.3Å; G169-A172 VanDerWaalsContact O-N 3.12Å
170V97Very high93.7Very high2 Ų246 Ų461%0.01229%0.285CS..Hα-helixtrans-62.3-28.1176.9-175.50000112V39 F61 L126 L167 I168 A172 I173 F175V39-V170 HydrophobicContact CB-CG2 4.27Å; V39-V170 HydrophobicContact CG1-CG2 3.78Å; V39-V170 HydrophobicContact CG2-CG2 3.64Å; F61-V170 HydrophobicContact CE1-CG1 4.48Å; F61-V170 HydrophobicContact CE2-CG2 4.18Å; F61-V170 HydrophobicContact CZ-CG1 4.3Å; F61-V170 HydrophobicContact CZ-CG2 4.11Å; L126-V170 HydrophobicContact CD2-CG1 3.5Å; L167-V170 HydrophobicContact CD2-CG2 4.42Å; L167-V170 PolarHBondContact O-N 2.72Å; I168-V170 VanDerWaalsContact C-N 3.3Å; I168-V170 PolarHBondContact O-N 2.74Å; V170-A172 PolarHBondContact O-N 3.18Å; V170-A172 VanDerWaalsContact O-N 3.14Å; V170-I173 WeakPolarHBondContact O-CB 3.26Å; V170-I173 PolarHBondContact O-N 3.18Å; V170-I173 VanDerWaalsContact O-N 3.09Å; V170-F175 HydrophobicContact CG1-CE2 3.88Å; V170-F175 HydrophobicContact CG1-CZ 3.86Å
171G95.7Very high92.7Very high24 Ų2448.8 Ų48.825%0.24731%0.313CS..THydrogen-bonded Turntrans-65.3-10.8175.900000114.9K129 I168 G169 I173K129-G171 WeakPolarHBondContact CD-O 3.37Å; I168-G171 PolarHBondContact O-N 2.88Å; I168-G171 VanDerWaalsContact O-N 3.16Å; G169-G171 PolarHBondContact O-N 3.04Å; G171-I173 VanDerWaalsContact C-N 3.34Å
172A94.8Very high91.7Very high61 Ų6152.4 Ų52.450%0.50432%0.324SS..THydrogen-bonded Turntrans-75.5-23.317200000113G169 V170G169-A172 WeakPolarHBondContact O-CB 3.38Å; G169-A172 PolarHBondContact O-N 3.3Å; G169-A172 VanDerWaalsContact O-N 3.12Å; V170-A172 PolarHBondContact O-N 3.18Å; V170-A172 VanDerWaalsContact O-N 3.14Å
173I96.8Very high90.6Very high0 Ų051.1 Ų51.10%032%0.321CS..SBendtrans-82.1140.5-174.3-59.7175.1000110.3L42 L43 Y46 I51 K129 V170 G171 F175L42-I173 HydrophobicContact CB-CD1 3.75Å; L43-I173 HydrophobicContact CD2-CD1 3.93Å; L43-I173 HydrophobicContact CD2-CG1 3.89Å; L43-I173 HydrophobicContact CG-CD1 4.19Å; Y46-I173 HydrophobicContact CD1-CG1 4.2Å; Y46-I173 HydrophobicContact CD2-CG2 3.85Å; Y46-I173 HydrophobicContact CE2-CG2 4.48Å; Y46-I173 HydrophobicContact CG-CB 4.27Å; Y46-I173 HydrophobicContact CG-CG1 4.12Å; Y46-I173 HydrophobicContact CG-CG2 3.92Å; I51-I173 HydrophobicContact CB-CG2 4.48Å; I51-I173 HydrophobicContact CD1-CG2 3.93Å; I51-I173 HydrophobicContact CG1-CG2 4.13Å; K129-I173 VanDerWaalsContact CE-O 3.27Å; K129-I173 WeakPolarHBondContact CE-O 3.48Å; V170-I173 WeakPolarHBondContact O-CB 3.26Å; V170-I173 PolarHBondContact O-N 3.18Å; V170-I173 VanDerWaalsContact O-N 3.09Å; G171-I173 VanDerWaalsContact C-N 3.34Å; I173-F175 HydrophobicContact CB-CD2 4.38Å; I173-F175 HydrophobicContact CB-CE2 3.68Å; I173-F175 HydrophobicContact CB-CZ 3.83Å; I173-F175 HydrophobicContact CD1-CZ 4.25Å; I173-F175 HydrophobicContact CG2-CD1 4.23Å; I173-F175 HydrophobicContact CG2-CD2 4.09Å; I173-F175 HydrophobicContact CG2-CE1 3.79Å; I173-F175 HydrophobicContact CG2-CE2 3.62Å; I173-F175 HydrophobicContact CG2-CG 4.39Å; I173-F175 HydrophobicContact CG2-CZ 3.47Å; I173-F175 VanDerWaalsContact CG2-CZ 3.47Å
174D97.6Very high89.9Confident60 Ų6051.5 Ų51.532%0.32132%0.323SS..  trans-86.9136.1166-63.4-53000110.6Y46 P50 I51 K129Y46-D174 HydrophobicContact CE2-CB 3.92Å; Y46-D174 PolarHBondContact OH-OD2 2.88Å; P50-D174 CarbonylContact C-O 3.54Å; P50-D174 VanDerWaalsContact CA-O 3.28Å; P50-D174 WeakPolarHBondContact CA-O 3.35Å; P50-D174 HydrophobicContact CB-CB 4.07Å; P50-D174 HydrophobicContact CG-CB 4.19Å; I51-D174 PolarHBondContact N-O 2.99Å; K129-D174 WeakPolarHBondContact CE-OD1 3.36Å; K129-D174 IonicContact NZ-OD1 4Å; K129-D174 PolarHBondContact NZ-OD1 3.45Å
175F97.6Very high88.9Confident17 Ų1752.6 Ų52.68%0.07533%0.328CS..EExtended strand (participates in β ladder)trans-124.1143.7179.5-67-78.6000111.2I51 F58 L126 M127 V170 I173 F177I51-F175 HydrophobicContact CB-CD1 3.81Å; I51-F175 HydrophobicContact CB-CE1 3.93Å; I51-F175 HydrophobicContact CG2-CD1 4.15Å; I51-F175 HydrophobicContact CG2-CE1 4.08Å; I51-F175 CarbonylContact O-C 3.6Å; I51-F175 VanDerWaalsContact O-CA 3.28Å; I51-F175 WeakPolarHBondContact O-CA 3.39Å; F58-F175 HydrophobicContact CD2-CE1 4.39Å; L126-F175 HydrophobicContact CB-CD2 3.89Å; L126-F175 HydrophobicContact CB-CE2 4.2Å; L126-F175 HydrophobicContact CB-CG 4.29Å; L126-F175 HydrophobicContact CD2-CD2 4.37Å; L126-F175 HydrophobicContact CD2-CE2 3.81Å; L126-F175 HydrophobicContact CD2-CZ 4.15Å; M127-F175 HydrophobicContact CG-CB 4.09Å; V170-F175 HydrophobicContact CG1-CE2 3.88Å; V170-F175 HydrophobicContact CG1-CZ 3.86Å; I173-F175 HydrophobicContact CB-CD2 4.38Å; I173-F175 HydrophobicContact CB-CE2 3.68Å; I173-F175 HydrophobicContact CB-CZ 3.83Å; I173-F175 HydrophobicContact CD1-CZ 4.25Å; I173-F175 HydrophobicContact CG2-CD1 4.23Å; I173-F175 HydrophobicContact CG2-CD2 4.09Å; I173-F175 HydrophobicContact CG2-CE1 3.79Å; I173-F175 HydrophobicContact CG2-CE2 3.62Å; I173-F175 HydrophobicContact CG2-CG 4.39Å; I173-F175 HydrophobicContact CG2-CZ 3.47Å; I173-F175 VanDerWaalsContact CG2-CZ 3.47Å; F175-F177 HydrophobicContact CB-CD2 4.09Å; F175-F177 HydrophobicContact CB-CE1 4.47Å; F175-F177 HydrophobicContact CB-CE2 3.55Å; F175-F177 HydrophobicContact CB-CZ 3.77Å; F175-F177 HydrophobicContact CD1-CE1 4.05Å; F175-F177 AromaticContact CD1-CE2 3.83Å; F175-F177 HydrophobicContact CD1-CE2 3.83Å; F175-F177 AromaticContact CD1-CZ 3.26Å; F175-F177 HydrophobicContact CD1-CZ 3.26Å; F175-F177 HydrophobicContact CE1-CZ 4.03Å; F175-F177 AromaticContact CG-CE2 3.8Å; F175-F177 HydrophobicContact CG-CE2 3.8Å; F175-F177 AromaticContact CG-CZ 3.74Å; F175-F177 HydrophobicContact CG-CZ 3.74Å
176S95.6Very high87.7Confident69 Ų6951 Ų5148%0.48331%0.312SS..EExtended strand (participates in β ladder)trans-133.791.6178.3-172.50000110.1I51 D52I51-S176 PolarHBondContact O-N 3.37Å; D52-S176 WeakPolarHBondContact CA-O 2.8Å; D52-S176 WeakPolarHBondContact CB-O 3.48Å
177F95Very high86.8Confident16 Ų1658.7 Ų58.77%0.0734%0.344CS..  trans-105.5145.3-174.2-60.2-49.5000113.5D53 F58 R123 L126 M127 F175D53-F177 HydrophobicContact CB-CD1 4.38Å; D53-F177 VanDerWaalsContact OD2-CA 3.26Å; D53-F177 WeakPolarHBondContact OD2-CA 3.5Å; D53-F177 VanDerWaalsContact OD2-CB 3.26Å; D53-F177 WeakPolarHBondContact OD2-CB 3.42Å; D53-F177 WeakPolarHBondContact OD2-CD1 3.33Å; F58-F177 HydrophobicContact CD1-CD1 4.41Å; F58-F177 AromaticContact CD1-CE1 3.52Å; F58-F177 HydrophobicContact CD1-CE1 3.52Å; F58-F177 AromaticContact CD1-CZ 4Å; F58-F177 HydrophobicContact CD1-CZ 4Å; F58-F177 HydrophobicContact CD2-CE1 4Å; F58-F177 AromaticContact CD2-CZ 3.6Å; F58-F177 HydrophobicContact CD2-CZ 3.6Å; F58-F177 AromaticContact CE1-CD1 3.99Å; F58-F177 HydrophobicContact CE1-CD1 3.99Å; F58-F177 AromaticContact CE1-CE1 3.35Å; F58-F177 HydrophobicContact CE1-CE1 3.35Å; F58-F177 AromaticContact CE1-CZ 3.71Å; F58-F177 HydrophobicContact CE1-CZ 3.71Å; F58-F177 AromaticContact CE2-CE1 3.88Å; F58-F177 HydrophobicContact CE2-CE1 3.88Å; F58-F177 HydrophobicContact CE2-CE2 4.04Å; F58-F177 AromaticContact CE2-CZ 3.32Å; F58-F177 HydrophobicContact CE2-CZ 3.32Å; F58-F177 AromaticContact CG-CE1 3.84Å; F58-F177 HydrophobicContact CG-CE1 3.84Å; F58-F177 AromaticContact CG-CZ 3.94Å; F58-F177 HydrophobicContact CG-CZ 3.94Å; F58-F177 HydrophobicContact CZ-CD1 4.28Å; F58-F177 AromaticContact CZ-CE1 3.55Å; F58-F177 HydrophobicContact CZ-CE1 3.55Å; F58-F177 HydrophobicContact CZ-CE2 4Å; F58-F177 AromaticContact CZ-CZ 3.37Å; F58-F177 HydrophobicContact CZ-CZ 3.37Å; R123-F177 HydrophobicContact CB-CB 4.15Å; R123-F177 HydrophobicContact CB-CD2 3.53Å; R123-F177 HydrophobicContact CB-CE2 4.19Å; R123-F177 HydrophobicContact CB-CG 4.06Å; R123-F177 HydrophobicContact CG-CB 4.21Å; R123-F177 HydrophobicContact CG-CD2 3.67Å; R123-F177 HydrophobicContact CG-CE2 4.11Å; R123-F177 HydrophobicContact CG-CG 3.9Å; L126-F177 HydrophobicContact CB-CE2 3.91Å; L126-F177 HydrophobicContact CD1-CE2 4.04Å; L126-F177 HydrophobicContact CD1-CZ 4.38Å; M127-F177 HydrophobicContact CG-CD2 3.68Å; M127-F177 HydrophobicContact CG-CE2 4.35Å; M127-F177 HydrophobicContact CG-CG 4.44Å; M127-F177 HydrophobicContact SD-CB 3.74Å; M127-F177 HydrophobicContact SD-CD2 3.95Å; M127-F177 HydrophobicContact SD-CG 4.25Å; F175-F177 HydrophobicContact CB-CD2 4.09Å; F175-F177 HydrophobicContact CB-CE1 4.47Å; F175-F177 HydrophobicContact CB-CE2 3.55Å; F175-F177 HydrophobicContact CB-CZ 3.77Å; F175-F177 HydrophobicContact CD1-CE1 4.05Å; F175-F177 AromaticContact CD1-CE2 3.83Å; F175-F177 HydrophobicContact CD1-CE2 3.83Å; F175-F177 AromaticContact CD1-CZ 3.26Å; F175-F177 HydrophobicContact CD1-CZ 3.26Å; F175-F177 HydrophobicContact CE1-CZ 4.03Å; F175-F177 AromaticContact CG-CE2 3.8Å; F175-F177 HydrophobicContact CG-CE2 3.8Å; F175-F177 AromaticContact CG-CZ 3.74Å; F175-F177 HydrophobicContact CG-CZ 3.74Å
178C88.2Confident85.8Confident95 Ų9561 Ų6164%0.64236%0.361SS*.  trans-96.8110.8172.7-83.70000109.3D53 K180D53-C178 PolarHBondContact OD2-N 3.41Å; C178-K180 PolarHBondContact O-N 3.26Å
179L84.6Confident85Confident47 Ų4760.5 Ų60.525%0.24637%0.365CS..SBendtrans-7643.5177.8-59179.5000113.7M108 R123 V124 L184M108-L179 HydrophobicContact CE-CB 4.19Å; M108-L179 HydrophobicContact CE-CD1 4.47Å; R123-L179 HydrophobicContact CB-CD2 4Å; V124-L179 HydrophobicContact CG2-CD1 3.6Å; V124-L179 HydrophobicContact CG2-CD2 4.09Å; V124-L179 HydrophobicContact CG2-CG 4.44Å; L179-L184 VanDerWaalsContact C-CD1 3.45Å; L179-L184 HydrophobicContact CB-CD1 4.33Å
180K77.9Confident84.7Confident170 Ų17059.9 Ų59.974%0.73936%0.357SS*.  trans-145.7149.6-176.7-63.7-177.4-178.4177.20110.3C178C178-K180 PolarHBondContact O-N 3.26Å
181G70.5Confident84.4Confident59 Ų5965.2 Ų65.261%0.60839%0.389SS*.SBendtrans95-172.3174.500000114.7A183 L184G181-A183 VanDerWaalsContact C-N 3.3Å; G181-A183 PolarHBondContact O-N 2.93Å; G181-L184 PolarHBondContact O-N 3.49Å
182E70.1Confident84.2Confident173 Ų17364.8 Ų64.881%0.80838%0.381SS*.G310 helixtrans-71.6-18.9-168.8-58.3-172.7153.600114.1L184 D185E182-L184 PolarHBondContact O-N 2.87Å; E182-D185 WeakPolarHBondContact O-CB 3.43Å; E182-D185 PolarHBondContact O-N 2.94Å
183A71.1Confident84Confident49 Ų4965.4 Ų65.441%0.40538%0.376SS..G310 helixtrans-62.8-15.3176.800000113.9R123 G181R123-A183 PolarHBondContact NH2-O 3.48Å; G181-A183 VanDerWaalsContact C-N 3.3Å; G181-A183 PolarHBondContact O-N 2.93Å
184L80.2Confident83.5Confident8 Ų869.6 Ų69.64%0.04239%0.392CS..G310 helixtrans-101.1-0.2173.5-60.9-179000113.3I111 A116 R119 A120 L179 G181 E182 G186I111-L184 HydrophobicContact CD1-CD1 3.61Å; A116-L184 VanDerWaalsContact CA-O 3.29Å; A116-L184 WeakPolarHBondContact CA-O 3.27Å; A116-L184 WeakPolarHBondContact CB-O 3.41Å; R119-L184 HydrophobicContact CB-CD2 4.21Å; A120-L184 HydrophobicContact CB-CD1 4.46Å; A120-L184 HydrophobicContact CB-CD2 4.11Å; L179-L184 VanDerWaalsContact C-CD1 3.45Å; L179-L184 HydrophobicContact CB-CD1 4.33Å; G181-L184 PolarHBondContact O-N 3.49Å; E182-L184 PolarHBondContact O-N 2.87Å; L184-G186 PolarHBondContact O-N 3.18Å
185D75.4Confident82.8Confident45 Ų4571 Ų7124%0.24140%0.403CS..  trans-59.7143-178.9116.7-14.3000110.7R119 E182 K187 S188R119-D185 PolarHBondContact NH1-O 2.95Å; R119-D185 IonicContact NH1-OD1 2.81Å; E182-D185 WeakPolarHBondContact O-CB 3.43Å; E182-D185 PolarHBondContact O-N 2.94Å; D185-K187 PolarHBondContact OD1-N 2.86Å; D185-K187 WeakPolarHBondContact OD2-CB 3.4Å; D185-S188 WeakPolarHBondContact OD1-CB 3.38Å; D185-S188 PolarHBondContact OD1-N 2.68Å; D185-S188 PolarHBondContact OD1-OG 3.45Å
186G70.8Confident81.9Confident10 Ų1073.3 Ų73.310%0.10342%0.42CS..SBendtrans-95.36.1176.100000112.9R115 L184R115-G186 PolarHBondContact NH1-O 3.36Å; L184-G186 PolarHBondContact O-N 3.18Å
187K75.7Confident81.1Confident185 Ų18571.2 Ų71.280%0.80440%0.401SS*.SBendtrans-89-41.7-171.3-52.2175.7-177.5169.80110.5D185D185-K187 PolarHBondContact OD1-N 2.86Å; D185-K187 WeakPolarHBondContact OD2-CB 3.4Å
188S77.8Confident79.9Confident51 Ų5173.4 Ų73.436%0.35741%0.414SS..SBendtrans-76130.717656.70000111.6R119 D185R119-S188 PolarHBondContact NH1-O 3.44Å; R119-S188 PolarHBondContact NH1-OG 3.12Å; R119-S188 PolarHBondContact NH2-O 2.68Å; D185-S188 WeakPolarHBondContact OD1-CB 3.38Å; D185-S188 PolarHBondContact OD1-N 2.68Å; D185-S188 PolarHBondContact OD1-OG 3.45Å
189P80.3Confident78.4Confident100 Ų10076.7 Ų76.765%0.64942%0.417SS*.PPolyproline II helixtrans-70.3145.416530.9-33.2000109.7V191P189-V191 PolarHBondContact O-N 3.25Å
190A86.9Confident76.9Confident16 Ų1677.3 Ų77.313%0.13242%0.418CS..PPolyproline II helixtrans-61.9135.8171.300000111.1A63 E66 H67A63-A190 HydrophobicContact CB-CB 3.89Å; E66-A190 HydrophobicContact CB-CB 4.08Å; E66-A190 HydrophobicContact CG-CB 3.95Å; E66-A190 WeakPolarHBondContact OE1-CB 3.21Å; H67-A190 PolarHBondContact NE2-O 3.38Å
191V90.3Very high75.6Confident115 Ų11575.3 Ų75.370%0.69742%0.42SS*.  trans-115.4125.5176.6-178.40000108.6A63 P189A63-V191 VanDerWaalsContact CB-O 3.25Å; A63-V191 WeakPolarHBondContact CB-O 3.34Å; P189-V191 PolarHBondContact O-N 3.25Å
192I92.4Very high74.5Confident14 Ų1476.7 Ų76.77%0.07241%0.411CS..  trans-88124174.6-61.3170.4000107.8L31 V34 A63 V64 H67 Y194L31-I192 HydrophobicContact CD2-CD1 3.83Å; V34-I192 HydrophobicContact CG1-CG2 4.02Å; A63-I192 HydrophobicContact CB-CG1 4.25Å; V64-I192 HydrophobicContact CB-CD1 4.43Å; V64-I192 HydrophobicContact CG2-CB 4.34Å; V64-I192 HydrophobicContact CG2-CD1 3.94Å; V64-I192 HydrophobicContact CG2-CG1 3.79Å; V64-I192 HydrophobicContact CG2-CG2 3.7Å; H67-I192 HydrophobicContact CB-CD1 3.94Å; I192-Y194 HydrophobicContact CB-CD2 4.28Å; I192-Y194 HydrophobicContact CB-CE2 3.7Å; I192-Y194 HydrophobicContact CG2-CD1 4.34Å; I192-Y194 HydrophobicContact CG2-CD2 3.9Å; I192-Y194 HydrophobicContact CG2-CE1 4.1Å; I192-Y194 HydrophobicContact CG2-CE2 3.63Å; I192-Y194 HydrophobicContact CG2-CG 4.25Å; I192-Y194 WeakPolarHBondContact O-CD2 3.37Å
193D89Confident73.4Confident75 Ų7572 Ų7240%0.40140%0.397SS..  trans-84.7113.8164.3-175.621.7000109.9N60 T195 P196N60-D193 PolarHBondContact ND2-O 2.93Å; N60-D193 PolarHBondContact OD1-N 2.91Å; N60-D193 PolarHBondContact OD1-O 3.49Å; D193-T195 WeakPolarHBondContact OD1-CB 3.48Å; D193-T195 PolarHBondContact OD1-N 3.42Å; D193-T195 PolarHBondContact OD1-OG1 3.07Å; D193-P196 WeakPolarHBondContact OD2-CD 3.21Å
194Y85.9Confident72.2Confident87 Ų8778.2 Ų78.234%0.34141%0.411SS..  trans-82.7-16.4176.9-67.3-94.3000112.4V34 I192 P196 Y197 L198V34-Y194 HydrophobicContact CG2-CD1 3.95Å; V34-Y194 HydrophobicContact CG2-CE1 3.83Å; I192-Y194 HydrophobicContact CB-CD2 4.28Å; I192-Y194 HydrophobicContact CB-CE2 3.7Å; I192-Y194 HydrophobicContact CG2-CD1 4.34Å; I192-Y194 HydrophobicContact CG2-CD2 3.9Å; I192-Y194 HydrophobicContact CG2-CE1 4.1Å; I192-Y194 HydrophobicContact CG2-CE2 3.63Å; I192-Y194 HydrophobicContact CG2-CG 4.25Å; I192-Y194 WeakPolarHBondContact O-CD2 3.37Å; Y194-P196 VanDerWaalsContact C-CD 3.48Å; Y194-Y197 WeakPolarHBondContact O-CA 3.46Å; Y194-Y197 WeakPolarHBondContact O-CB 3.2Å; Y194-Y197 PolarHBondContact O-N 3.35Å; Y194-L198 WeakPolarHBondContact O-CG 3.25Å; Y194-L198 PolarHBondContact O-N 3.33Å; Y194-L198 VanDerWaalsContact O-N 3.16Å
195T83.1Confident70.5Confident89 Ų8985.7 Ų85.755%0.54645%0.446SS..G310 helixtrans-52.6-43.5-169.5-49.30000113.9D193 Y197 L198D193-T195 WeakPolarHBondContact OD1-CB 3.48Å; D193-T195 PolarHBondContact OD1-N 3.42Å; D193-T195 PolarHBondContact OD1-OG1 3.07Å; T195-Y197 PolarHBondContact O-N 3.1Å; T195-Y197 VanDerWaalsContact O-N 3.16Å; T195-L198 PolarHBondContact O-N 3.04Å
196P78.9Confident68.9Low66 Ų6693.5 Ų93.543%0.42947%0.474SS..G310 helixtrans-64.9-19.2177.4-21.934.8000114.4D193 Y194D193-P196 WeakPolarHBondContact OD2-CD 3.21Å; Y194-P196 VanDerWaalsContact C-CD 3.48Å
197Y79.3Confident67.8Low25 Ų2599 Ų9910%0.09850%0.5CS..G310 helixtrans-105.3-12.5-172.6-46.9-46.4000113.5V34 F37 S38 T41 N60 Y194 T195 K199V34-Y197 HydrophobicContact CG1-CD2 3.75Å; V34-Y197 HydrophobicContact CG1-CE2 3.78Å; F37-Y197 HydrophobicContact CB-CD1 3.36Å; F37-Y197 HydrophobicContact CB-CE1 3.61Å; F37-Y197 HydrophobicContact CB-CG 3.97Å; F37-Y197 HydrophobicContact CD2-CD1 4.32Å; F37-Y197 HydrophobicContact CD2-CG 4.26Å; F37-Y197 HydrophobicContact CG-CD1 4.14Å; S38-Y197 VanDerWaalsContact CA-OH 3.26Å; S38-Y197 WeakPolarHBondContact CA-OH 3.48Å; S38-Y197 WeakPolarHBondContact CB-OH 3.4Å; S38-Y197 PolarHBondContact OG-OH 3.4Å; T41-Y197 HydrophobicContact CG2-CE1 3.98Å; T41-Y197 PolarHBondContact OG1-OH 3.02Å; N60-Y197 VanDerWaalsContact ND2-CE2 3.33Å; N60-Y197 WeakPolarHBondContact ND2-CE2 3.39Å; N60-Y197 PolarHBondContact ND2-OH 3.41Å; Y194-Y197 WeakPolarHBondContact O-CA 3.46Å; Y194-Y197 WeakPolarHBondContact O-CB 3.2Å; Y194-Y197 PolarHBondContact O-N 3.35Å; T195-Y197 PolarHBondContact O-N 3.1Å; T195-Y197 VanDerWaalsContact O-N 3.16Å; Y197-K199 PolarHBondContact O-N 3.45Å
198L70.3Confident66.6Low63 Ų6395.5 Ų95.533%0.3350%0.499SS..  trans-75.968.5176.1-64-179.2000111.2Y194 T195 L263Y194-L198 WeakPolarHBondContact O-CG 3.25Å; Y194-L198 PolarHBondContact O-N 3.33Å; Y194-L198 VanDerWaalsContact O-N 3.16Å; T195-L198 PolarHBondContact O-N 3.04Å; L198-L263 HydrophobicContact CD1-CD1 4.43Å; L198-L263 HydrophobicContact CD1-CD2 3.73Å
199K57Low65.1Low163 Ų163100.4 Ų100.471%0.70952%0.521SS*.  trans-89.3124.6172.7-63.9-174.6-179.7-178.40109.5Y197 T201Y197-K199 PolarHBondContact O-N 3.45Å; K199-T201 PolarHBondContact O-N 3.28Å; K199-T201 VanDerWaalsContact O-N 3.09Å; K199-T201 PolarHBondContact O-OG1 3.38Å; K199-T201 VanDerWaalsContact O-OG1 3.13Å
200F52.2Low63.5Low60 Ų60102.9 Ų102.926%0.26353%0.529SS..  trans-53.3118.8172.2174.8-96.8000109.6Q202 I252 A255 Q256F200-Q202 HydrophobicContact CE1-CB 4.14Å; F200-I252 HydrophobicContact CD1-CG2 4.42Å; F200-I252 HydrophobicContact CE1-CG2 4.06Å; F200-A255 HydrophobicContact CE2-CB 3.9Å; F200-A255 HydrophobicContact CZ-CB 3.58Å; F200-Q256 HydrophobicContact CB-CB 4.05Å; F200-Q256 HydrophobicContact CB-CG 3.8Å; F200-Q256 HydrophobicContact CD1-CB 4.03Å; F200-Q256 HydrophobicContact CD2-CB 3.94Å; F200-Q256 HydrophobicContact CD2-CG 4.48Å; F200-Q256 HydrophobicContact CE2-CB 4.42Å; F200-Q256 HydrophobicContact CG-CB 3.72Å; F200-Q256 HydrophobicContact CG-CG 4.07Å
201T50Low61.8Low128 Ų128109.7 Ų109.779%0.78556%0.563SS**  trans-105.6109.6-177.8-18.60000107.9K199 S203K199-T201 PolarHBondContact O-N 3.28Å; K199-T201 VanDerWaalsContact O-N 3.09Å; K199-T201 PolarHBondContact O-OG1 3.38Å; K199-T201 VanDerWaalsContact O-OG1 3.13Å; T201-S203 PolarHBondContact O-N 2.99Å
202Q47.6Very low59.6Low88 Ų88115.3 Ų115.341%0.41157%0.572SS.*  trans-67.2117.1179.1-176.4177.64.400109.7F200F200-Q202 HydrophobicContact CE1-CB 4.14Å
203S48.1Very low57.4Low75 Ų75125.9 Ų125.952%0.52461%0.611SS.*  trans-72.1130166.550.60000109.3T201 E205T201-S203 PolarHBondContact O-N 2.99Å; S203-E205 PolarHBondContact O-N 3.06Å; S203-E205 VanDerWaalsContact O-N 3.07Å
204Y46Very low55.2Low179 Ų179128 Ų12870%0.70263%0.631SS**G310 helixtrans-74.28.1-175.6-78-83.6000114.5Y206 L207Y204-Y206 PolarHBondContact O-N 2.89Å; Y204-Y206 VanDerWaalsContact O-N 3.1Å; Y204-L207 HydrophobicContact CD1-CD1 3.74Å; Y204-L207 HydrophobicContact CE1-CD1 4.43Å; Y204-L207 PolarHBondContact O-N 2.91Å
205E43.7Very low53.6Low166 Ų166130.8 Ų130.878%0.77666%0.657SS**G310 helixtrans-75.42.4-171.1-154.7155.8-158.700114.1S203S203-E205 PolarHBondContact O-N 3.06Å; S203-E205 VanDerWaalsContact O-N 3.07Å
206Y43Very low51.5Low209 Ų209133.5 Ų133.582%0.8267%0.668SS**G310 helixtrans-97.87.9174.1-82.5-79.3000114.5Y204Y204-Y206 PolarHBondContact O-N 2.89Å; Y204-Y206 VanDerWaalsContact O-N 3.1Å
207L46.1Very low49.6Very low125 Ų125136 Ų13665%0.65469%0.688SS**  trans-97.426.8-174-67.4-171.8000115.7Y204Y204-L207 HydrophobicContact CD1-CD1 3.74Å; Y204-L207 HydrophobicContact CE1-CD1 4.43Å; Y204-L207 PolarHBondContact O-N 2.91Å
208S50.5Low47.8Very low112 Ų112140.4 Ų140.478%0.78372%0.722SS**  trans-145.7111.2174.7-146.70000113
209D47.3Very low46.3Very low154 Ų154143.7 Ų143.782%0.82475%0.745SS**SBend-164.9-33125.2-132.1-8.3000113.2
210D47.3Very low45.3Very low151 Ų151142 Ų14281%0.80775%0.753SS**SBendtrans-94-10.3-154.9-138.514.4000117.3R212D210-R212 PolarHBondContact O-N 3.06Å; D210-R212 VanDerWaalsContact O-N 3.07Å
211D49.3Very low44.7Very low160 Ų160146.9 Ų146.986%0.85678%0.782SS**THydrogen-bonded Turntrans-8218.3-170.7-116.12.9000114.9
212R46Very low43.9Very low233 Ų233147.2 Ų147.288%0.87978%0.779SS**THydrogen-bonded Turntrans-110.210.2-176.7-59.1-160.878.5135.24.3115.7D210D210-R212 PolarHBondContact O-N 3.06Å; D210-R212 VanDerWaalsContact O-N 3.07Å
213R46.1Very low43.2Very low236 Ų236148 Ų14889%0.89179%0.794SS**SBendtrans-134.967.8-178.4-68.3-172-178.3168.23.2114.7
214S42.4Very low42.8Very low118 Ų118150.9 Ų150.983%0.82581%0.809SS**  trans-161.473.2148.6-163.40000111.1
215V51.4Low43Very low147 Ų147147.4 Ų147.489%0.89181%0.808SS**  trans-137.467.1171-159.20000109.2
216D39.6Very low42.6Very low146 Ų146147.4 Ų147.478%0.78181%0.808SS**  trans-153.3111.6164.1-161.92.5000111.3
217S38.1Very low42.1Very low119 Ų119145.7 Ų145.783%0.83281%0.807SS**  trans-17789.9150.5-82.20000111.1
218S41.2Very low42.1Very low116 Ų116144.8 Ų144.881%0.81181%0.808SS**  trans56.1123.3141-151.50000121.8
219T39.7Very low41.2Very low133 Ų133150.1 Ų150.182%0.81681%0.813SS**  trans-76.7144.8164.450.20000113.4
220S35.5Very low41.1Very low127 Ų127148.4 Ų148.489%0.88881%0.808SS**  trans-151157151.858.90000110.5
221D40.1Very low40.8Very low162 Ų162146.5 Ų146.587%0.86680%0.804SS**  trans-102.5173.4-154.3-163.714.3000115.2
222D33.9Very low40.8Very low136 Ų136146 Ų14673%0.72780%0.8SS**  trans95.4133.2152.3-155.223.1000122.6
223S32.7Very low40.7Very low103 Ų103141.4 Ų141.472%0.7280%0.798SS**  trans76.7152155.977.50000123
224V38.8Very low40.5Very low137 Ų137135.2 Ų135.283%0.8379%0.786SS**  trans-161.4151.2-161159.70000107.2
225P50.9Low40.7Very low106 Ų106136.8 Ų136.869%0.68879%0.785SS**  cis-134.1-165.317.834.1-10.4000116.3
226E34.4Very low40.7Very low165 Ų165135.2 Ų135.277%0.77177%0.772SS**  trans46.4108.2149.8-77-176.5138.700121.6
227H31.7Very low41.5Very low174 Ų174132.8 Ų132.881%0.80676%0.756SS**  -175162.2104.4-104-50.6000112.9Y229H227-Y229 PolarHBondContact O-N 3.39Å
228P47Very low43Very low105 Ų105129.4 Ų129.468%0.68273%0.732SS**  trans-90.997.5-169.335.4-33.8000112.7
229Y32.5Very low44.7Very low224 Ų224133.6 Ų133.688%0.87873%0.73SS**  trans-132.6131.7154.7-96.6-89.5000109.6H227 P231H227-Y229 PolarHBondContact O-N 3.39Å; Y229-P231 VanDerWaalsContact O-CD 3.31Å; Y229-P231 WeakPolarHBondContact O-CD 3.47Å
230V45.1Very low46.2Very low119 Ų119129.9 Ų129.972%0.72171%0.71SS**  trans-85.2113.3166.4173.10000107.1L232V230-L232 PolarHBondContact O-N 3.04Å
231P39.3Very low48.2Very low110 Ų110126.1 Ų126.171%0.71468%0.682SS**  trans-71.2121.4157.7-10.328.7000107.1Y229 V233Y229-P231 VanDerWaalsContact O-CD 3.31Å; Y229-P231 WeakPolarHBondContact O-CD 3.47Å; P231-V233 PolarHBondContact O-N 3.43Å
232L49.8Very low50Low149 Ų149122.3 Ų122.378%0.7866%0.657SS**  trans-61.4104.2169.7-82.768.6000108.9V230V230-L232 PolarHBondContact O-N 3.04Å
233V43.9Very low52.1Low138 Ų138119.8 Ų119.884%0.83665%0.65SS**  trans-109.8111.8151-176.90000106.5P231P231-V233 PolarHBondContact O-N 3.43Å
234T41.9Very low54.3Low106 Ų106121.1 Ų121.165%0.6564%0.639SS**  trans-81.1127.2-165.4480000112.9D236T234-D236 PolarHBondContact O-N 3.37Å
235D47.1Very low56.1Low150 Ų150118.6 Ų118.680%0.80262%0.617SS**  trans49.725.2141-156.128.6000119.1E237D235-E237 VanDerWaalsContact C-N 3.33Å; D235-E237 PolarHBondContact O-N 2.75Å; D235-E237 VanDerWaalsContact O-N 3.09Å
236D51.3Low57.5Low115 Ų115119.5 Ų119.562%0.61561%0.613SS**  trans-90.566.4-178.3-139.9-2.2000111.9T234 S238T234-D236 PolarHBondContact O-N 3.37Å; D236-S238 PolarHBondContact O-N 3.45Å; D236-S238 WeakPolarHBondContact OD1-CA 3.41Å
237E56.3Low59.6Low94 Ų94116.1 Ų116.144%0.43960%0.597SS.*  trans-57.888.5142.9-112.3-112148.600105.5D235 W239 K242 K245D235-E237 VanDerWaalsContact C-N 3.33Å; D235-E237 PolarHBondContact O-N 2.75Å; D235-E237 VanDerWaalsContact O-N 3.09Å; E237-W239 PolarHBondContact O-N 3.23Å; E237-K242 VanDerWaalsContact O-CD 3.29Å; E237-K242 WeakPolarHBondContact O-CD 3.44Å; E237-K242 WeakPolarHBondContact O-CE 3.35Å; E237-K242 PolarHBondContact O-NZ 3.07Å; E237-K245 IonicContact OE1-NZ 2.73Å; E237-K245 PolarHBondContact OE1-NZ 3.33Å; E237-K245 IonicContact OE2-NZ 3.43Å; E237-K245 PolarHBondContact OE2-NZ 3.07Å
238S69.7Low61.6Low48 Ų48113.1 Ų113.134%0.33658%0.584SS.*  trans-45.6139.8-163.2178.30000111.9D236 S240 T241 K242D236-S238 PolarHBondContact O-N 3.45Å; D236-S238 WeakPolarHBondContact OD1-CA 3.41Å; S238-S240 PolarHBondContact O-N 3.15Å; S238-S240 PolarHBondContact OG-N 3.33Å; S238-T241 WeakPolarHBondContact O-CA 3.39Å; S238-T241 WeakPolarHBondContact O-CB 3.29Å; S238-T241 PolarHBondContact O-N 3.12Å; S238-K242 PolarHBondContact O-N 2.89Å
239W76.6Confident62.8Low204 Ų204116.4 Ų116.477%0.77358%0.583SS**Hα-helixtrans-49-30.7170.4-78.298.6000112.6E237 C243E237-W239 PolarHBondContact O-N 3.23Å; W239-C243 WeakPolarHBondContact O-CB 3.49Å; W239-C243 PolarHBondContact O-N 3.23Å
240S71.4Confident64.9Low56 Ų56112.2 Ų112.239%0.39257%0.569SS.*Hα-helixtrans-59.1-46.6170.1177.60000113.1S238 C243 R244S238-S240 PolarHBondContact O-N 3.15Å; S238-S240 PolarHBondContact OG-N 3.33Å; S240-C243 PolarHBondContact O-N 2.99Å; S240-R244 WeakPolarHBondContact O-CB 3.25Å; S240-R244 WeakPolarHBondContact O-CG 3.1Å; S240-R244 PolarHBondContact O-N 3.45Å; S240-R244 PolarHBondContact OG-NE 3.48Å; S240-R244 PolarHBondContact OG-NH2 3.12Å
241T78.6Confident66.5Low47 Ų47112.3 Ų112.329%0.28856%0.56SS.*Hα-helixtrans-69.1-43.6179.3-56.70000111.2S238 R244 K245S238-T241 WeakPolarHBondContact O-CA 3.39Å; S238-T241 WeakPolarHBondContact O-CB 3.29Å; S238-T241 PolarHBondContact O-N 3.12Å; T241-R244 PolarHBondContact O-N 3.41Å; T241-K245 HydrophobicContact CG2-CD 4.35Å; T241-K245 WeakPolarHBondContact O-CB 3.36Å; T241-K245 VanDerWaalsContact O-CG 3.29Å; T241-K245 WeakPolarHBondContact O-CG 3.32Å; T241-K245 PolarHBondContact O-N 3.2Å
242K76.2Confident68.1Low82 Ų82109.4 Ų109.436%0.35754%0.538SS..Hα-helixtrans-62.4-41.4174.5-72169.4176.4139.10111.5E237 S238 M246E237-K242 VanDerWaalsContact O-CD 3.29Å; E237-K242 WeakPolarHBondContact O-CD 3.44Å; E237-K242 WeakPolarHBondContact O-CE 3.35Å; E237-K242 PolarHBondContact O-NZ 3.07Å; S238-K242 PolarHBondContact O-N 2.89Å; K242-M246 WeakPolarHBondContact O-CB 3.23Å; K242-M246 PolarHBondContact O-N 2.78Å
243C79.1Confident69.2Low83 Ų83106.5 Ų106.556%0.56153%0.526SS*.Hα-helixtrans-67.3-45.8177.1-164.20000111.8W239 S240 K245 M246 E247W239-C243 WeakPolarHBondContact O-CB 3.49Å; W239-C243 PolarHBondContact O-N 3.23Å; S240-C243 PolarHBondContact O-N 2.99Å; C243-K245 PolarHBondContact O-N 3.32Å; C243-M246 CarbonylContact O-C 3.56Å; C243-M246 WeakPolarHBondContact O-CB 3.26Å; C243-M246 PolarHBondContact O-N 3.06Å; C243-M246 VanDerWaalsContact O-N 3.09Å; C243-E247 WeakPolarHBondContact O-CB 3.35Å; C243-E247 PolarHBondContact O-N 3.06Å
244R79.5Confident70.7Confident131 Ų131104.2 Ų104.249%0.49451%0.509SS..Hα-helixtrans-58.9-43.9173.8-79.2-175-85.8175.1-7.5112.6S240 T241 M246 E247 Q248S240-R244 WeakPolarHBondContact O-CB 3.25Å; S240-R244 WeakPolarHBondContact O-CG 3.1Å; S240-R244 PolarHBondContact O-N 3.45Å; S240-R244 PolarHBondContact OG-NE 3.48Å; S240-R244 PolarHBondContact OG-NH2 3.12Å; T241-R244 PolarHBondContact O-N 3.41Å; R244-M246 VanDerWaalsContact C-N 3.32Å; R244-M246 PolarHBondContact O-N 3.18Å; R244-E247 PolarHBondContact O-N 3.42Å; R244-Q248 WeakPolarHBondContact O-CB 3.39Å; R244-Q248 VanDerWaalsContact O-CG 3.31Å; R244-Q248 WeakPolarHBondContact O-CG 3.33Å; R244-Q248 PolarHBondContact O-N 3.42Å
245K74.9Confident72.4Confident84 Ų84101.4 Ų101.437%0.36550%0.497SS..Hα-helixtrans-60.1-39.6173.1-73171.8-175.9174.30112E237 T241 C243 R249E237-K245 IonicContact OE1-NZ 2.73Å; E237-K245 PolarHBondContact OE1-NZ 3.33Å; E237-K245 IonicContact OE2-NZ 3.43Å; E237-K245 PolarHBondContact OE2-NZ 3.07Å; T241-K245 HydrophobicContact CG2-CD 4.35Å; T241-K245 WeakPolarHBondContact O-CB 3.36Å; T241-K245 VanDerWaalsContact O-CG 3.29Å; T241-K245 WeakPolarHBondContact O-CG 3.32Å; T241-K245 PolarHBondContact O-N 3.2Å; C243-K245 PolarHBondContact O-N 3.32Å; K245-R249 WeakPolarHBondContact O-CG 3.48Å; K245-R249 PolarHBondContact O-N 3.07Å; K245-R249 VanDerWaalsContact O-N 3.12Å
246M81.8Confident73.8Confident125 Ų12598.1 Ų98.162%0.61648%0.476SS*.Hα-helixtrans-68.8-43.3176.7-172.865.182.100112.1K242 C243 R244 Q248 R249 F250K242-M246 WeakPolarHBondContact O-CB 3.23Å; K242-M246 PolarHBondContact O-N 2.78Å; C243-M246 CarbonylContact O-C 3.56Å; C243-M246 WeakPolarHBondContact O-CB 3.26Å; C243-M246 PolarHBondContact O-N 3.06Å; C243-M246 VanDerWaalsContact O-N 3.09Å; R244-M246 VanDerWaalsContact C-N 3.32Å; R244-M246 PolarHBondContact O-N 3.18Å; M246-Q248 PolarHBondContact O-N 3.35Å; M246-R249 WeakPolarHBondContact O-CB 3.31Å; M246-R249 PolarHBondContact O-N 3.43Å; M246-F250 PolarHBondContact O-N 3.46Å
247E77.4Confident75.1Confident94 Ų9497.7 Ų97.744%0.43947%0.469SS..Hα-helixtrans-62.6-41.6177.8-165.6-163.4158.600111.6C243 R244 F250 K251C243-E247 WeakPolarHBondContact O-CB 3.35Å; C243-E247 PolarHBondContact O-N 3.06Å; R244-E247 PolarHBondContact O-N 3.42Å; E247-F250 PolarHBondContact O-N 3.42Å; E247-K251 WeakPolarHBondContact O-CG 3.21Å; E247-K251 PolarHBondContact O-N 2.94Å; E247-K251 WeakPolarHBondContact OE1-CE 3.42Å; E247-K251 IonicContact OE1-NZ 2.83Å; E247-K251 PolarHBondContact OE1-NZ 3.23Å
248Q73.7Confident76.2Confident112 Ų11294.6 Ų94.652%0.52346%0.462SS..Hα-helixtrans-60.3-46.7172.3-74172.6-15.100111.7R244 M246 F250 K251 I252R244-Q248 WeakPolarHBondContact O-CB 3.39Å; R244-Q248 VanDerWaalsContact O-CG 3.31Å; R244-Q248 WeakPolarHBondContact O-CG 3.33Å; R244-Q248 PolarHBondContact O-N 3.42Å; M246-Q248 PolarHBondContact O-N 3.35Å; Q248-F250 VanDerWaalsContact C-N 3.32Å; Q248-F250 PolarHBondContact O-N 2.85Å; Q248-K251 PolarHBondContact O-N 3.48Å; Q248-I252 VanDerWaalsContact O-CG1 3.31Å; Q248-I252 WeakPolarHBondContact O-CG1 3.46Å; Q248-I252 PolarHBondContact O-N 3.32Å
249R71.8Confident76.8Confident173 Ų17396.7 Ų96.765%0.65346%0.464SS*.Hα-helixtrans-59.4-42.4174.5-74.1173.6179.4-167.4-0.2111.8K245 M246 I252 V253K245-R249 WeakPolarHBondContact O-CG 3.48Å; K245-R249 PolarHBondContact O-N 3.07Å; K245-R249 VanDerWaalsContact O-N 3.12Å; M246-R249 WeakPolarHBondContact O-CB 3.31Å; M246-R249 PolarHBondContact O-N 3.43Å; R249-I252 PolarHBondContact O-N 3.41Å; R249-V253 WeakPolarHBondContact O-CG2 3.45Å; R249-V253 PolarHBondContact O-N 3.48Å
250F78Confident76.9Confident136 Ų13691 Ų9160%0.59645%0.447SS*.Hα-helixtrans-62.8-45.1176.7-179.8-96.6000112.1M246 E247 Q248 I252 V253 N254M246-F250 PolarHBondContact O-N 3.46Å; E247-F250 PolarHBondContact O-N 3.42Å; Q248-F250 VanDerWaalsContact C-N 3.32Å; Q248-F250 PolarHBondContact O-N 2.85Å; F250-I252 VanDerWaalsContact C-N 3.33Å; F250-I252 PolarHBondContact O-N 3.05Å; F250-V253 PolarHBondContact O-N 2.99Å; F250-N254 VanDerWaalsContact O-CB 3.3Å; F250-N254 WeakPolarHBondContact O-CB 3.39Å; F250-N254 PolarHBondContact O-N 3.09Å
251K77.7Confident77.5Confident122 Ų12293.2 Ų93.253%0.5345%0.452SS..Hα-helixtrans-59-42.6175.9-73.3171.7-176.5170.50112E247 Q248 N254 A255E247-K251 WeakPolarHBondContact O-CG 3.21Å; E247-K251 PolarHBondContact O-N 2.94Å; E247-K251 WeakPolarHBondContact OE1-CE 3.42Å; E247-K251 IonicContact OE1-NZ 2.83Å; E247-K251 PolarHBondContact OE1-NZ 3.23Å; Q248-K251 PolarHBondContact O-N 3.48Å; K251-N254 PolarHBondContact O-N 3.48Å; K251-A255 WeakPolarHBondContact O-CB 3.44Å; K251-A255 PolarHBondContact O-N 3.34Å
252I74.3Confident77.8Confident49 Ų4995.7 Ų95.725%0.25146%0.46SS..Hα-helixtrans-62.1-51.2175.2-67.9163.5000111F200 Q248 R249 F250 N254 A255 Q256F200-I252 HydrophobicContact CD1-CG2 4.42Å; F200-I252 HydrophobicContact CE1-CG2 4.06Å; Q248-I252 VanDerWaalsContact O-CG1 3.31Å; Q248-I252 WeakPolarHBondContact O-CG1 3.46Å; Q248-I252 PolarHBondContact O-N 3.32Å; R249-I252 PolarHBondContact O-N 3.41Å; F250-I252 VanDerWaalsContact C-N 3.33Å; F250-I252 PolarHBondContact O-N 3.05Å; I252-N254 VanDerWaalsContact C-N 3.3Å; I252-N254 PolarHBondContact O-N 3.44Å; I252-A255 PolarHBondContact O-N 3.36Å; I252-Q256 WeakPolarHBondContact O-CB 3.46Å; I252-Q256 PolarHBondContact O-N 3.27Å
253V72.3Confident78Confident88 Ų8893.8 Ų93.853%0.53345%0.454SS..Hα-helixtrans-62.6-37.3-180170.40000111.5R249 F250 Q256 K257R249-V253 WeakPolarHBondContact O-CG2 3.45Å; R249-V253 PolarHBondContact O-N 3.48Å; F250-V253 PolarHBondContact O-N 2.99Å; V253-Q256 PolarHBondContact O-N 3.25Å; V253-K257 WeakPolarHBondContact O-CB 3.09Å; V253-K257 PolarHBondContact O-N 3.13Å
254N75.5Confident78.3Confident89 Ų8993.7 Ų93.748%0.47645%0.45SS..Hα-helixtrans-69.3-38.6177.3-168.563.4000112.4F250 K251 I252 K257 G258F250-N254 VanDerWaalsContact O-CB 3.3Å; F250-N254 WeakPolarHBondContact O-CB 3.39Å; F250-N254 PolarHBondContact O-N 3.09Å; K251-N254 PolarHBondContact O-N 3.48Å; I252-N254 VanDerWaalsContact C-N 3.3Å; I252-N254 PolarHBondContact O-N 3.44Å; N254-K257 PolarHBondContact O-N 3.46Å; N254-G258 PolarHBondContact O-N 3.22Å
255A77.3Confident79Confident47 Ų4794 Ų9439%0.38845%0.451SS..Hα-helixtrans-67.4-39.9172.700000112.1F200 K251 I252 G258 Y259F200-A255 HydrophobicContact CE2-CB 3.9Å; F200-A255 HydrophobicContact CZ-CB 3.58Å; K251-A255 WeakPolarHBondContact O-CB 3.44Å; K251-A255 PolarHBondContact O-N 3.34Å; I252-A255 PolarHBondContact O-N 3.36Å; A255-G258 PolarHBondContact O-N 3.46Å; A255-Y259 PolarHBondContact O-N 2.88Å
256Q75.4Confident79.6Confident81 Ų8194.2 Ų94.238%0.37946%0.456SS..Hα-helixtrans-61.9-42.5172.8176.8173.36.900111.9F200 I252 V253 Y259 L260F200-Q256 HydrophobicContact CB-CB 4.05Å; F200-Q256 HydrophobicContact CB-CG 3.8Å; F200-Q256 HydrophobicContact CD1-CB 4.03Å; F200-Q256 HydrophobicContact CD2-CB 3.94Å; F200-Q256 HydrophobicContact CD2-CG 4.48Å; F200-Q256 HydrophobicContact CE2-CB 4.42Å; F200-Q256 HydrophobicContact CG-CB 3.72Å; F200-Q256 HydrophobicContact CG-CG 4.07Å; I252-Q256 WeakPolarHBondContact O-CB 3.46Å; I252-Q256 PolarHBondContact O-N 3.27Å; V253-Q256 PolarHBondContact O-N 3.25Å; Q256-Y259 PolarHBondContact O-N 3.06Å; Q256-L260 HydrophobicContact CG-CD1 4.3Å; Q256-L260 WeakPolarHBondContact O-CG 3.35Å; Q256-L260 PolarHBondContact O-N 3Å
257K78.8Confident79.7Confident107 Ų10794.5 Ų94.547%0.46545%0.45SS..Hα-helixtrans-57.7-52.9174179.3-168.9161.1-173.50110.8V253 N254 Y259 L260 E261V253-K257 WeakPolarHBondContact O-CB 3.09Å; V253-K257 PolarHBondContact O-N 3.13Å; N254-K257 PolarHBondContact O-N 3.46Å; K257-Y259 VanDerWaalsContact C-N 3.3Å; K257-Y259 PolarHBondContact O-N 3.47Å; K257-L260 PolarHBondContact O-N 3.24Å; K257-E261 WeakPolarHBondContact CE-OE1 3.41Å; K257-E261 WeakPolarHBondContact CE-OE2 3.32Å; K257-E261 HydrophobicContact CG-CG 4.41Å; K257-E261 IonicContact NZ-OE1 2.69Å; K257-E261 PolarHBondContact NZ-OE1 3.29Å; K257-E261 WeakPolarHBondContact O-CG 3.3Å; K257-E261 PolarHBondContact O-N 2.9Å
258G80.7Confident80.3Confident28 Ų2895.8 Ų95.829%0.28946%0.457SS..Hα-helixtrans-60.4-36.9179.900000113.4N254 A255 E261 E262N254-G258 PolarHBondContact O-N 3.22Å; A255-G258 PolarHBondContact O-N 3.46Å; G258-E261 PolarHBondContact O-N 3.14Å; G258-E262 PolarHBondContact O-N 3Å
259Y82.7Confident81.3Confident93 Ų9393 Ų9337%0.36545%0.45SS..Hα-helixtrans-61.8-43.6172.3172.9-97.7000112.5A255 Q256 K257 L263A255-Y259 PolarHBondContact O-N 2.88Å; Q256-Y259 PolarHBondContact O-N 3.06Å; K257-Y259 VanDerWaalsContact C-N 3.3Å; K257-Y259 PolarHBondContact O-N 3.47Å; Y259-L263 HydrophobicContact CE1-CD2 4.49Å; Y259-L263 WeakPolarHBondContact O-CB 3.4Å; Y259-L263 PolarHBondContact O-N 3.04Å
260L78Confident82Confident83 Ų8389.4 Ų89.444%0.43544%0.44SS..Hα-helixtrans-68.4-39.3177.5-69.1171.6000112Q256 K257 L263 V264Q256-L260 HydrophobicContact CG-CD1 4.3Å; Q256-L260 WeakPolarHBondContact O-CG 3.35Å; Q256-L260 PolarHBondContact O-N 3Å; K257-L260 PolarHBondContact O-N 3.24Å; L260-L263 PolarHBondContact O-N 3.37Å; L260-V264 WeakPolarHBondContact O-CG2 3.39Å; L260-V264 PolarHBondContact O-N 3.39Å
261E84.6Confident82.7Confident104 Ų10488 Ų8849%0.48644%0.438SS..Hα-helixtrans-61.8-44.7175.7-72.7175.3146.800111.6K257 G258 V264 R265K257-E261 WeakPolarHBondContact CE-OE1 3.41Å; K257-E261 WeakPolarHBondContact CE-OE2 3.32Å; K257-E261 HydrophobicContact CG-CG 4.41Å; K257-E261 IonicContact NZ-OE1 2.69Å; K257-E261 PolarHBondContact NZ-OE1 3.29Å; K257-E261 WeakPolarHBondContact O-CG 3.3Å; K257-E261 PolarHBondContact O-N 2.9Å; G258-E261 PolarHBondContact O-N 3.14Å; E261-V264 PolarHBondContact O-N 3.03Å; E261-R265 WeakPolarHBondContact O-CB 3.36Å; E261-R265 PolarHBondContact O-N 3.05Å
262E84.3Confident83.5Confident99 Ų9989 Ų8946%0.46344%0.442SS..Hα-helixtrans-67.1-35.3174.4-80.5-64.3124.300113G258 R265 L266G258-E262 PolarHBondContact O-N 3Å; E262-R265 PolarHBondContact O-N 2.81Å; E262-R265 IonicContact OE1-CZ 3.98Å; E262-R265 IonicContact OE1-NE 3.05Å; E262-R265 PolarHBondContact OE1-NE 3.22Å; E262-R265 IonicContact OE1-NH2 3.88Å; E262-R265 IonicContact OE2-CZ 3.97Å; E262-R265 IonicContact OE2-NE 2.68Å; E262-R265 PolarHBondContact OE2-NE 3.28Å; E262-R265 IonicContact OE2-NH2 3.54Å; E262-R265 PolarHBondContact OE2-NH2 3.43Å; E262-L266 WeakPolarHBondContact O-CB 3.47Å; E262-L266 PolarHBondContact O-N 3.13Å
263L80.6Confident84.4Confident42 Ų4291.2 Ų91.222%0.2246%0.455CS..Hα-helixtrans-64.5-42.7174.4-176.466.8000111.6L198 Y259 L260 L266 R267L198-L263 HydrophobicContact CD1-CD1 4.43Å; L198-L263 HydrophobicContact CD1-CD2 3.73Å; Y259-L263 HydrophobicContact CE1-CD2 4.49Å; Y259-L263 WeakPolarHBondContact O-CB 3.4Å; Y259-L263 PolarHBondContact O-N 3.04Å; L260-L263 PolarHBondContact O-N 3.37Å; L263-L266 PolarHBondContact O-N 3.44Å; L263-R267 WeakPolarHBondContact O-CG 3.44Å; L263-R267 PolarHBondContact O-N 2.81Å
264V85.9Confident85.3Confident81 Ų8191.1 Ų91.149%0.49145%0.454SS..Hα-helixtrans-61.1-50.9173.4169.70000110L260 E261 L266 R267 E268L260-V264 WeakPolarHBondContact O-CG2 3.39Å; L260-V264 PolarHBondContact O-N 3.39Å; E261-V264 PolarHBondContact O-N 3.03Å; V264-L266 VanDerWaalsContact C-N 3.26Å; V264-L266 PolarHBondContact O-N 2.87Å; V264-R267 PolarHBondContact O-N 3.44Å; V264-E268 HydrophobicContact CG1-CG 4.24Å; V264-E268 WeakPolarHBondContact O-CG 3.34Å; V264-E268 PolarHBondContact O-N 2.91Å
265R93.7Very high86.3Confident137 Ų13791.1 Ų91.152%0.51745%0.452SS..Hα-helixtrans-57.5-37.3178.9-164.5-176.669.170.73.4112.7E261 E262 S269E261-R265 WeakPolarHBondContact O-CB 3.36Å; E261-R265 PolarHBondContact O-N 3.05Å; E262-R265 PolarHBondContact O-N 2.81Å; E262-R265 IonicContact OE1-CZ 3.98Å; E262-R265 IonicContact OE1-NE 3.05Å; E262-R265 PolarHBondContact OE1-NE 3.22Å; E262-R265 IonicContact OE1-NH2 3.88Å; E262-R265 IonicContact OE2-CZ 3.97Å; E262-R265 IonicContact OE2-NE 2.68Å; E262-R265 PolarHBondContact OE2-NE 3.28Å; E262-R265 IonicContact OE2-NH2 3.54Å; E262-R265 PolarHBondContact OE2-NH2 3.43Å; R265-S269 WeakPolarHBondContact O-CB 3.41Å; R265-S269 PolarHBondContact O-N 2.79Å
266L86.3Confident87.1Confident89 Ų8992.8 Ų92.847%0.46646%0.457SS..Hα-helixtrans-66.8-44.8173.9179.463000111.8E262 L263 V264 S269 Q270E262-L266 WeakPolarHBondContact O-CB 3.47Å; E262-L266 PolarHBondContact O-N 3.13Å; L263-L266 PolarHBondContact O-N 3.44Å; V264-L266 VanDerWaalsContact C-N 3.26Å; V264-L266 PolarHBondContact O-N 2.87Å; L266-S269 PolarHBondContact O-N 3.22Å; L266-Q270 WeakPolarHBondContact O-CG 3.42Å; L266-Q270 PolarHBondContact O-N 2.62Å
267R84.9Confident88Confident130 Ų13094.8 Ų94.849%0.49147%0.466SS..Hα-helixtrans-65.4-41.6177.8-70.5-63.7-170.2115.65.4112.1L263 V264 S269 Q270 L271L263-R267 WeakPolarHBondContact O-CG 3.44Å; L263-R267 PolarHBondContact O-N 2.81Å; V264-R267 PolarHBondContact O-N 3.44Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-S269 PolarHBondContact O-N 3.28Å; R267-Q270 PolarHBondContact O-N 2.91Å; R267-L271 WeakPolarHBondContact O-CB 3.22Å; R267-L271 PolarHBondContact O-N 3.16Å
268E90.8Very high88.7Confident122 Ų12294.7 Ų94.757%0.5747%0.471SS*.Hα-helixtrans-59.6-43.7172.5-70.8176.8161.300111.6V264 L271 K272V264-E268 HydrophobicContact CG1-CG 4.24Å; V264-E268 WeakPolarHBondContact O-CG 3.34Å; V264-E268 PolarHBondContact O-N 2.91Å; E268-L271 PolarHBondContact O-N 3.16Å; E268-K272 WeakPolarHBondContact O-CB 3.48Å; E268-K272 PolarHBondContact O-N 3.13Å
269S92.8Very high89.5Confident54 Ų5499.8 Ų99.838%0.37849%0.485SS..Hα-helixtrans-65.4-37.7176.1-172.90000112.7R265 L266 R267 N273R265-S269 WeakPolarHBondContact O-CB 3.41Å; R265-S269 PolarHBondContact O-N 2.79Å; L266-S269 PolarHBondContact O-N 3.22Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-S269 PolarHBondContact O-N 3.28Å; S269-N273 PolarHBondContact O-N 3.09Å; S269-N273 VanDerWaalsContact O-N 3.12Å; S269-N273 PolarHBondContact O-ND2 3.01Å; S269-N273 PolarHBondContact O-OD1 3.39Å
270Q88.5Confident90.1Very high97 Ų97101.5 Ų101.545%0.45350%0.495SS..Hα-helixtrans-67-47175.3-75.3175.3-11.700111L266 R267 K272 N273 T274L266-Q270 WeakPolarHBondContact O-CG 3.42Å; L266-Q270 PolarHBondContact O-N 2.62Å; R267-Q270 PolarHBondContact O-N 2.91Å; Q270-K272 VanDerWaalsContact C-N 3.35Å; Q270-K272 PolarHBondContact O-N 2.85Å; Q270-N273 PolarHBondContact O-N 3.45Å; Q270-T274 PolarHBondContact O-N 3.48Å; Q270-T274 PolarHBondContact O-OG1 2.88Å; Q270-T274 VanDerWaalsContact O-OG1 3.11Å
271L91.2Very high90.9Very high105 Ų105102.1 Ų102.155%0.5550%0.498SS..Hα-helixtrans-56.5-49176.3-179.962.6000110.9R267 E268 N273 T274 E275R267-L271 WeakPolarHBondContact O-CB 3.22Å; R267-L271 PolarHBondContact O-N 3.16Å; E268-L271 PolarHBondContact O-N 3.16Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 2.88Å; L271-T274 PolarHBondContact O-N 2.84Å; L271-E275 WeakPolarHBondContact O-CG 3.35Å; L271-E275 PolarHBondContact O-N 3.37Å
272K95.6Very high91.5Very high143 Ų143103 Ų10362%0.62250%0.5SS*.Hα-helixtrans-58.9-41.2177.5-174.2175.4-177.4175.40112.8E268 Q270 E275 T276E268-K272 WeakPolarHBondContact O-CB 3.48Å; E268-K272 PolarHBondContact O-N 3.13Å; Q270-K272 VanDerWaalsContact C-N 3.35Å; Q270-K272 PolarHBondContact O-N 2.85Å; K272-E275 PolarHBondContact O-N 3.42Å; K272-T276 WeakPolarHBondContact O-CG2 3.36Å; K272-T276 PolarHBondContact O-N 3.43Å; K272-T276 PolarHBondContact O-OG1 2.91Å
273N93.3Very high92Very high96 Ų96101.3 Ų101.351%0.51350%0.499SS..Hα-helixtrans-63.7-49.5176.1-71-10.8000110.8S269 Q270 L271 E275 T276 E277S269-N273 PolarHBondContact O-N 3.09Å; S269-N273 VanDerWaalsContact O-N 3.12Å; S269-N273 PolarHBondContact O-ND2 3.01Å; S269-N273 PolarHBondContact O-OD1 3.39Å; Q270-N273 PolarHBondContact O-N 3.45Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 2.88Å; N273-E275 VanDerWaalsContact C-N 3.31Å; N273-E275 PolarHBondContact O-N 3.03Å; N273-T276 PolarHBondContact O-N 2.84Å; N273-T276 VanDerWaalsContact O-N 3.08Å; N273-T276 PolarHBondContact O-OG1 3.25Å; N273-E277 PolarHBondContact O-N 3.07Å
274T90.3Very high92.8Very high86 Ų86103.2 Ų103.253%0.52851%0.507SS..Hα-helixtrans-59.8-39.2177-55.20000112.1Q270 L271 E277 N278Q270-T274 PolarHBondContact O-N 3.48Å; Q270-T274 PolarHBondContact O-OG1 2.88Å; Q270-T274 VanDerWaalsContact O-OG1 3.11Å; L271-T274 PolarHBondContact O-N 2.84Å; T274-E277 PolarHBondContact O-N 2.62Å; T274-N278 VanDerWaalsContact O-CB 3.24Å; T274-N278 WeakPolarHBondContact O-CB 3.39Å; T274-N278 PolarHBondContact O-N 3.33Å
275E95.8Very high93.2Very high90 Ų90104.7 Ų104.742%0.42151%0.511SS..Hα-helixtrans-61.9-41173.2-77.5-176.7-17000112.6L271 K272 N273 K279L271-E275 WeakPolarHBondContact O-CG 3.35Å; L271-E275 PolarHBondContact O-N 3.37Å; K272-E275 PolarHBondContact O-N 3.42Å; N273-E275 VanDerWaalsContact C-N 3.31Å; N273-E275 PolarHBondContact O-N 3.03Å; E275-K279 WeakPolarHBondContact O-CB 3.36Å; E275-K279 VanDerWaalsContact O-CG 3.26Å; E275-K279 WeakPolarHBondContact O-CG 3.31Å; E275-K279 PolarHBondContact O-N 3.2Å; E275-K279 IonicContact OE2-NZ 3.08Å
276T95.1Very high93.4Very high81 Ų81103.1 Ų103.150%0.49751%0.51SS..Hα-helixtrans-68.4-37.7177.356.20000112.4K272 N273 K280K272-T276 WeakPolarHBondContact O-CG2 3.36Å; K272-T276 PolarHBondContact O-N 3.43Å; K272-T276 PolarHBondContact O-OG1 2.91Å; N273-T276 PolarHBondContact O-N 2.84Å; N273-T276 VanDerWaalsContact O-N 3.08Å; N273-T276 PolarHBondContact O-OG1 3.25Å; T276-K280 WeakPolarHBondContact O-CB 3.26Å; T276-K280 PolarHBondContact O-N 3.42Å
277E93.6Very high93.9Very high124 Ų124105.4 Ų105.458%0.57952%0.518SS*.Hα-helixtrans-67-44174.1-175.3170.2-161.400111.3N273 T274 K279 K280 L281N273-E277 PolarHBondContact O-N 3.07Å; T274-E277 PolarHBondContact O-N 2.62Å; E277-K279 PolarHBondContact O-N 2.82Å; E277-K280 WeakPolarHBondContact O-CB 3.33Å; E277-K280 PolarHBondContact O-N 2.8Å; E277-K280 VanDerWaalsContact O-N 3.17Å; E277-L281 HydrophobicContact CG-CD1 4.1Å; E277-L281 HydrophobicContact CG-CG 4.45Å; E277-L281 WeakPolarHBondContact O-CG 3.43Å; E277-L281 PolarHBondContact O-N 3.34Å
278N94.4Very high94.4Very high105 Ų105104.1 Ų104.156%0.56152%0.52SS*.Hα-helixtrans-61.5-43.5176.7-166.7-77.6000111.7T274 K280 L281 K282T274-N278 VanDerWaalsContact O-CB 3.24Å; T274-N278 WeakPolarHBondContact O-CB 3.39Å; T274-N278 PolarHBondContact O-N 3.33Å; N278-K280 VanDerWaalsContact C-N 3.35Å; N278-K280 PolarHBondContact O-N 2.89Å; N278-L281 PolarHBondContact O-N 2.81Å; N278-K282 VanDerWaalsContact O-CB 3.31Å; N278-K282 WeakPolarHBondContact O-CB 3.26Å; N278-K282 PolarHBondContact O-N 3.26Å
279K96.6Very high94.7Very high134 Ų134103.2 Ų103.258%0.58352%0.516SS*.Hα-helixtrans-58.5-44.1172.7-76.7166.2-177.8161.60111.9E275 E277 K282 S283E275-K279 WeakPolarHBondContact O-CB 3.36Å; E275-K279 VanDerWaalsContact O-CG 3.26Å; E275-K279 WeakPolarHBondContact O-CG 3.31Å; E275-K279 PolarHBondContact O-N 3.2Å; E275-K279 IonicContact OE2-NZ 3.08Å; E277-K279 PolarHBondContact O-N 2.82Å; K279-K282 PolarHBondContact O-N 3.32Å; K279-S283 PolarHBondContact O-N 2.86Å; K279-S283 PolarHBondContact O-OG 2.75Å
280K96.4Very high94.8Very high130 Ų130104.2 Ų104.257%0.56552%0.523SS*.Hα-helixtrans-64.1-47.3177.4-177.5-173.5174.5-171.50112.2T276 E277 N278 K282 S283 Q284T276-K280 WeakPolarHBondContact O-CB 3.26Å; T276-K280 PolarHBondContact O-N 3.42Å; E277-K280 WeakPolarHBondContact O-CB 3.33Å; E277-K280 PolarHBondContact O-N 2.8Å; E277-K280 VanDerWaalsContact O-N 3.17Å; N278-K280 VanDerWaalsContact C-N 3.35Å; N278-K280 PolarHBondContact O-N 2.89Å; K280-K282 VanDerWaalsContact C-N 3.29Å; K280-K282 PolarHBondContact O-N 2.98Å; K280-S283 WeakPolarHBondContact CA-OG 3.33Å; K280-S283 PolarHBondContact O-N 2.95Å; K280-S283 PolarHBondContact O-OG 3.14Å; K280-Q284 WeakPolarHBondContact O-CG 3.39Å; K280-Q284 PolarHBondContact O-N 3.48Å
281L94.9Very high95.2Very high96 Ų96104.6 Ų104.650%0.50352%0.524SS..Hα-helixtrans-62.4-39.1177.4-71.1171.8000111.1E277 N278 Q284 L285E277-L281 HydrophobicContact CG-CD1 4.1Å; E277-L281 HydrophobicContact CG-CG 4.45Å; E277-L281 WeakPolarHBondContact O-CG 3.43Å; E277-L281 PolarHBondContact O-N 3.34Å; N278-L281 PolarHBondContact O-N 2.81Å; L281-Q284 PolarHBondContact O-N 2.84Å; L281-L285 WeakPolarHBondContact O-CB 3.39Å; L281-L285 PolarHBondContact O-N 3.24Å
282K95.9Very high95.3Very high123 Ų123102.9 Ų102.954%0.53552%0.521SS..Hα-helixtrans-63.2-45.7175.4-169.6178.8-179.6-166.10112N278 K279 K280 Q284 L285 E286N278-K282 VanDerWaalsContact O-CB 3.31Å; N278-K282 WeakPolarHBondContact O-CB 3.26Å; N278-K282 PolarHBondContact O-N 3.26Å; K279-K282 PolarHBondContact O-N 3.32Å; K280-K282 VanDerWaalsContact C-N 3.29Å; K280-K282 PolarHBondContact O-N 2.98Å; K282-Q284 VanDerWaalsContact C-N 3.32Å; K282-Q284 PolarHBondContact O-N 3.41Å; K282-L285 PolarHBondContact O-N 3.46Å; K282-E286 WeakPolarHBondContact CE-OE1 3.49Å; K282-E286 IonicContact NZ-OE1 3.48Å; K282-E286 WeakPolarHBondContact O-CG 3.31Å; K282-E286 PolarHBondContact O-N 3.38Å
283S96.1Very high95.3Very high62 Ų62100.9 Ų100.943%0.43451%0.514SS..Hα-helixtrans-63.4-36.5175.452.60000112.8K279 K280 E286 E287K279-S283 PolarHBondContact O-N 2.86Å; K279-S283 PolarHBondContact O-OG 2.75Å; K280-S283 WeakPolarHBondContact CA-OG 3.33Å; K280-S283 PolarHBondContact O-N 2.95Å; K280-S283 PolarHBondContact O-OG 3.14Å; S283-E286 PolarHBondContact O-N 3.21Å; S283-E287 WeakPolarHBondContact O-CB 3.5Å; S283-E287 PolarHBondContact O-N 3.04Å
284Q96.3Very high95.5Very high82 Ų82100.2 Ų100.238%0.38351%0.508SS..Hα-helixtrans-66.9-36.4174.8-72.9-178-51.200112.1K280 L281 K282 E287 I288K280-Q284 WeakPolarHBondContact O-CG 3.39Å; K280-Q284 PolarHBondContact O-N 3.48Å; L281-Q284 PolarHBondContact O-N 2.84Å; K282-Q284 VanDerWaalsContact C-N 3.32Å; K282-Q284 PolarHBondContact O-N 3.41Å; Q284-E287 PolarHBondContact O-N 2.94Å; Q284-I288 WeakPolarHBondContact O-CB 3.32Å; Q284-I288 VanDerWaalsContact O-CG1 3.26Å; Q284-I288 WeakPolarHBondContact O-CG1 3.41Å; Q284-I288 PolarHBondContact O-N 2.8Å
285L95.4Very high95.7Very high113 Ų113100.5 Ų100.559%0.59250%0.503SS*.Hα-helixtrans-68.5-41.8175.9-169.6151.1000111.4L281 K282 Q289L281-L285 WeakPolarHBondContact O-CB 3.39Å; L281-L285 PolarHBondContact O-N 3.24Å; K282-L285 PolarHBondContact O-N 3.46Å; L285-Q289 WeakPolarHBondContact O-CB 3.26Å; L285-Q289 PolarHBondContact O-N 3.35Å
286E96.6Very high95.7Very high104 Ų104102 Ų10249%0.48651%0.508SS..Hα-helixtrans-63.2-40.4173.8-72.3171.4-172.600112K282 S283 Q289 S290K282-E286 WeakPolarHBondContact CE-OE1 3.49Å; K282-E286 IonicContact NZ-OE1 3.48Å; K282-E286 WeakPolarHBondContact O-CG 3.31Å; K282-E286 PolarHBondContact O-N 3.38Å; S283-E286 PolarHBondContact O-N 3.21Å; E286-Q289 PolarHBondContact O-N 3.39Å; E286-S290 WeakPolarHBondContact O-CB 3.38Å; E286-S290 PolarHBondContact O-N 2.69Å
287E96.8Very high95.7Very high136 Ų136103.8 Ų103.864%0.63651%0.509SS*.Hα-helixtrans-62.5-51.8174.9-177.3175.8-157.900112S283 Q284 Q289 S290 Q291S283-E287 WeakPolarHBondContact O-CB 3.5Å; S283-E287 PolarHBondContact O-N 3.04Å; Q284-E287 PolarHBondContact O-N 2.94Å; E287-Q289 VanDerWaalsContact C-N 3.31Å; E287-Q289 PolarHBondContact O-N 2.81Å; E287-S290 PolarHBondContact O-N 3.45Å; E287-Q291 WeakPolarHBondContact O-CB 3.46Å; E287-Q291 PolarHBondContact O-N 2.87Å
288I95.6Very high95.8Very high103 Ų103102.9 Ų102.953%0.52851%0.505SS..Hα-helixtrans-61.8-39.6177.5-68.5166.5000111.1Q284 Q291 S292Q284-I288 WeakPolarHBondContact O-CB 3.32Å; Q284-I288 VanDerWaalsContact O-CG1 3.26Å; Q284-I288 WeakPolarHBondContact O-CG1 3.41Å; Q284-I288 PolarHBondContact O-N 2.8Å; I288-Q291 PolarHBondContact O-N 3.31Å; I288-S292 WeakPolarHBondContact O-CB 3.28Å; I288-S292 PolarHBondContact O-N 3.29Å
289Q96.6Very high95.8Very high103 Ų103103.4 Ų103.448%0.48151%0.507SS..Hα-helixtrans-65-41.6176.6-178.7176.3-16.400111.7L285 E286 E287 Q293L285-Q289 WeakPolarHBondContact O-CB 3.26Å; L285-Q289 PolarHBondContact O-N 3.35Å; E286-Q289 PolarHBondContact O-N 3.39Å; E287-Q289 VanDerWaalsContact C-N 3.31Å; E287-Q289 PolarHBondContact O-N 2.81Å; Q289-Q293 WeakPolarHBondContact O-CG 3.26Å; Q289-Q293 PolarHBondContact O-N 2.84Å
290S95.9Very high95.8Very high76 Ų76101.4 Ų101.453%0.53150%0.5SS..Hα-helixtrans-65.1-44.1176.1-169.70000111.6E286 E287 Q293 Q294E286-S290 WeakPolarHBondContact O-CB 3.38Å; E286-S290 PolarHBondContact O-N 2.69Å; E287-S290 PolarHBondContact O-N 3.45Å; S290-Q293 PolarHBondContact O-N 3.26Å; S290-Q294 PolarHBondContact O-N 3.26Å
291Q96.1Very high95.7Very high104 Ų10497.8 Ų97.849%0.48650%0.495SS..Hα-helixtrans-59.6-47.9175.9-178.660.526.900111.5E287 I288 Q293 Q294 E295E287-Q291 WeakPolarHBondContact O-CB 3.46Å; E287-Q291 PolarHBondContact O-N 2.87Å; I288-Q291 PolarHBondContact O-N 3.31Å; Q291-Q293 VanDerWaalsContact C-N 3.33Å; Q291-Q293 PolarHBondContact O-N 3.14Å; Q291-Q294 PolarHBondContact O-N 3.09Å; Q291-Q294 VanDerWaalsContact O-N 3.11Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.33Å; Q291-E295 PolarHBondContact NE2-OE1 3.39Å; Q291-E295 WeakPolarHBondContact O-CG 3.37Å; Q291-E295 PolarHBondContact O-N 3.03Å
292S94.6Very high95.7Very high69 Ų6996.8 Ų96.848%0.48349%0.492SS..Hα-helixtrans-63-36.1176.7-178.70000113I288 K296I288-S292 WeakPolarHBondContact O-CB 3.28Å; I288-S292 PolarHBondContact O-N 3.29Å; S292-K296 VanDerWaalsContact O-CB 3.28Å; S292-K296 WeakPolarHBondContact O-CB 3.36Å; S292-K296 PolarHBondContact O-N 3.5Å
293Q95.4Very high95.6Very high101 Ų10195.1 Ų95.147%0.47249%0.488SS..Hα-helixtrans-67.9-34173.1-75.9-176.67.800112.8Q289 S290 Q291 K297Q289-Q293 WeakPolarHBondContact O-CG 3.26Å; Q289-Q293 PolarHBondContact O-N 2.84Å; S290-Q293 PolarHBondContact O-N 3.26Å; Q291-Q293 VanDerWaalsContact C-N 3.33Å; Q291-Q293 PolarHBondContact O-N 3.14Å; Q293-K297 WeakPolarHBondContact O-CG 3.42Å; Q293-K297 PolarHBondContact O-N 2.9Å
294Q96.3Very high95.6Very high83 Ų8397.5 Ų97.539%0.38850%0.495SS..Hα-helixtrans-71.1-49.1176.1-17957.824.200111.1S290 Q291 K296 K297 E298S290-Q294 PolarHBondContact O-N 3.26Å; Q291-Q294 PolarHBondContact O-N 3.09Å; Q291-Q294 VanDerWaalsContact O-N 3.11Å; Q294-K296 VanDerWaalsContact C-N 3.27Å; Q294-K296 PolarHBondContact O-N 3.08Å; Q294-K297 WeakPolarHBondContact O-CB 3.48Å; Q294-K297 PolarHBondContact O-N 3.42Å; Q294-E298 WeakPolarHBondContact CG-OE1 3.47Å; Q294-E298 PolarHBondContact NE2-OE1 3.3Å; Q294-E298 WeakPolarHBondContact O-CG 3.23Å; Q294-E298 PolarHBondContact O-N 2.95Å
295E94.9Very high95.4Very high92 Ų9298.6 Ų98.643%0.4350%0.501SS..Hα-helixtrans-56.3-41.6174.3-72.1169.1-17300111.6Q291 K297 E298 L299Q291-E295 WeakPolarHBondContact CG-OE1 3.33Å; Q291-E295 PolarHBondContact NE2-OE1 3.39Å; Q291-E295 WeakPolarHBondContact O-CG 3.37Å; Q291-E295 PolarHBondContact O-N 3.03Å; E295-K297 PolarHBondContact O-N 3.43Å; E295-E298 PolarHBondContact O-N 3.19Å; E295-L299 VanDerWaalsContact O-CG 3.31Å; E295-L299 WeakPolarHBondContact O-CG 3.33Å; E295-L299 PolarHBondContact O-N 2.94Å
296K95.4Very high95.2Very high121 Ų12197.9 Ų97.953%0.52650%0.497SS..Hα-helixtrans-59.1-45.4174.1177.5175.9168.7178.30112.2S292 Q294 L299 E300S292-K296 VanDerWaalsContact O-CB 3.28Å; S292-K296 WeakPolarHBondContact O-CB 3.36Å; S292-K296 PolarHBondContact O-N 3.5Å; Q294-K296 VanDerWaalsContact C-N 3.27Å; Q294-K296 PolarHBondContact O-N 3.08Å; K296-L299 PolarHBondContact O-N 3.29Å; K296-E300 WeakPolarHBondContact CE-OE1 3.32Å; K296-E300 HydrophobicContact CG-CG 4.5Å; K296-E300 IonicContact NZ-OE1 2.62Å; K296-E300 PolarHBondContact NZ-OE1 3.48Å; K296-E300 WeakPolarHBondContact O-CB 3.42Å; K296-E300 WeakPolarHBondContact O-CG 2.71Å; K296-E300 PolarHBondContact O-N 3.22Å
297K95.9Very high94.9Very high119 Ų11998 Ų9852%0.51750%0.497SS..Hα-helixtrans-65.9-37.9178.4-72.3168.7-175.1171.30112.3Q293 Q294 E295 E300 A301Q293-K297 WeakPolarHBondContact O-CG 3.42Å; Q293-K297 PolarHBondContact O-N 2.9Å; Q294-K297 WeakPolarHBondContact O-CB 3.48Å; Q294-K297 PolarHBondContact O-N 3.42Å; E295-K297 PolarHBondContact O-N 3.43Å; K297-E300 PolarHBondContact O-N 3.12Å; K297-A301 WeakPolarHBondContact O-CB 3.33Å; K297-A301 PolarHBondContact O-N 3.29Å
298E95.6Very high94.6Very high105 Ų10598.4 Ų98.449%0.49150%0.499SS..Hα-helixtrans-65.1-42.5176.3-71.6173.7-167.400110.9Q294 E295 A301 V302Q294-E298 WeakPolarHBondContact CG-OE1 3.47Å; Q294-E298 PolarHBondContact NE2-OE1 3.3Å; Q294-E298 WeakPolarHBondContact O-CG 3.23Å; Q294-E298 PolarHBondContact O-N 2.95Å; E295-E298 PolarHBondContact O-N 3.19Å; E298-A301 PolarHBondContact O-N 2.96Å; E298-V302 WeakPolarHBondContact O-CG2 3.48Å; E298-V302 PolarHBondContact O-N 3.44Å
299L95.1Very high94.3Very high115 Ų11598 Ų9860%0.60250%0.495SS*.Hα-helixtrans-64.7-41.8172.8-69.1170.9000112.5E295 K296 A301 V302 I303E295-L299 VanDerWaalsContact O-CG 3.31Å; E295-L299 WeakPolarHBondContact O-CG 3.33Å; E295-L299 PolarHBondContact O-N 2.94Å; K296-L299 PolarHBondContact O-N 3.29Å; L299-A301 VanDerWaalsContact C-N 3.33Å; L299-A301 PolarHBondContact O-N 3.43Å; L299-V302 PolarHBondContact O-N 2.97Å; L299-I303 VanDerWaalsContact O-CG1 3.25Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.35Å
300E95.2Very high93.7Very high92 Ų9298.4 Ų98.443%0.4350%0.5SS..Hα-helixtrans-61.3-39.7174.4-76.4174.216500111.8K296 K297 I303 L304K296-E300 WeakPolarHBondContact CE-OE1 3.32Å; K296-E300 HydrophobicContact CG-CG 4.5Å; K296-E300 IonicContact NZ-OE1 2.62Å; K296-E300 PolarHBondContact NZ-OE1 3.48Å; K296-E300 WeakPolarHBondContact O-CB 3.42Å; K296-E300 WeakPolarHBondContact O-CG 2.71Å; K296-E300 PolarHBondContact O-N 3.22Å; K297-E300 PolarHBondContact O-N 3.12Å; E300-I303 PolarHBondContact O-N 3.35Å; E300-L304 WeakPolarHBondContact O-CG 3.43Å; E300-L304 PolarHBondContact O-N 3.34Å; E300-L304 VanDerWaalsContact O-N 3.1Å
301A95.2Very high93.2Very high55 Ų5599.2 Ų99.246%0.45550%0.502SS..Hα-helixtrans-65.7-44.2175.400000112.6K297 E298 L299 I303 L304 E305K297-A301 WeakPolarHBondContact O-CB 3.33Å; K297-A301 PolarHBondContact O-N 3.29Å; E298-A301 PolarHBondContact O-N 2.96Å; L299-A301 VanDerWaalsContact C-N 3.33Å; L299-A301 PolarHBondContact O-N 3.43Å; A301-I303 VanDerWaalsContact C-N 3.32Å; A301-I303 PolarHBondContact O-N 3.42Å; A301-L304 PolarHBondContact O-N 2.91Å; A301-E305 PolarHBondContact O-N 2.85Å
302V95.4Very high92.4Very high74 Ų7498.9 Ų98.945%0.44851%0.511SS..Hα-helixtrans-62.9-38.2175.4170.70000111.4E298 L299 L304 E305 L306E298-V302 WeakPolarHBondContact O-CG2 3.48Å; E298-V302 PolarHBondContact O-N 3.44Å; L299-V302 PolarHBondContact O-N 2.97Å; V302-L304 VanDerWaalsContact C-N 3.34Å; V302-L304 PolarHBondContact O-N 2.82Å; V302-E305 PolarHBondContact O-N 2.85Å; V302-L306 HydrophobicContact CG1-CD1 3.87Å; V302-L306 HydrophobicContact CG1-CG 4.33Å; V302-L306 WeakPolarHBondContact O-CB 3.44Å; V302-L306 VanDerWaalsContact O-CG 3.27Å; V302-L306 WeakPolarHBondContact O-CG 3.38Å; V302-L306 PolarHBondContact O-N 3.31Å
303I94.3Very high91.3Very high89 Ų89102.1 Ų102.146%0.45652%0.522SS..Hα-helixtrans-62.2-42.2175-71.6164.5000111L299 E300 A301 L306 Q307L299-I303 VanDerWaalsContact O-CG1 3.25Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.35Å; E300-I303 PolarHBondContact O-N 3.35Å; A301-I303 VanDerWaalsContact C-N 3.32Å; A301-I303 PolarHBondContact O-N 3.42Å; I303-L306 PolarHBondContact O-N 3.16Å; I303-Q307 HydrophobicContact CG2-CG 4.46Å; I303-Q307 WeakPolarHBondContact O-CB 3.29Å; I303-Q307 VanDerWaalsContact O-CG 3.23Å; I303-Q307 WeakPolarHBondContact O-CG 3.45Å; I303-Q307 PolarHBondContact O-N 3.09Å
304L94.4Very high90.1Very high111 Ų111102 Ų10258%0.58152%0.524SS*.Hα-helixtrans-65-43.6177-70.9169.6000112.1E300 A301 V302 Q307 E308E300-L304 WeakPolarHBondContact O-CG 3.43Å; E300-L304 PolarHBondContact O-N 3.34Å; E300-L304 VanDerWaalsContact O-N 3.1Å; A301-L304 PolarHBondContact O-N 2.91Å; V302-L304 VanDerWaalsContact C-N 3.34Å; V302-L304 PolarHBondContact O-N 2.82Å; L304-Q307 PolarHBondContact O-N 3.14Å; L304-E308 PolarHBondContact O-N 3.26Å
305E93.3Very high88.2Confident106 Ų106103.2 Ų103.250%0.49554%0.539SS..Hα-helixtrans-61.8-43.8176.5-172.9179.3178.300111.6A301 V302 Q307 E308 Q309A301-E305 PolarHBondContact O-N 2.85Å; V302-E305 PolarHBondContact O-N 2.85Å; E305-Q307 VanDerWaalsContact C-N 3.33Å; E305-Q307 PolarHBondContact O-N 3.12Å; E305-E308 PolarHBondContact O-N 2.91Å; E305-Q309 WeakPolarHBondContact O-CG 3.4Å; E305-Q309 PolarHBondContact O-N 2.94Å
306L91.8Very high86.2Confident98 Ų98104.1 Ų104.151%0.51355%0.554SS.*Hα-helixtrans-65.7-34175.4-70172.2000112.6V302 I303 L310V302-L306 HydrophobicContact CG1-CD1 3.87Å; V302-L306 HydrophobicContact CG1-CG 4.33Å; V302-L306 WeakPolarHBondContact O-CB 3.44Å; V302-L306 VanDerWaalsContact O-CG 3.27Å; V302-L306 WeakPolarHBondContact O-CG 3.38Å; V302-L306 PolarHBondContact O-N 3.31Å; I303-L306 PolarHBondContact O-N 3.16Å; L306-L310 VanDerWaalsContact O-CB 3.32Å; L306-L310 WeakPolarHBondContact O-CB 3.09Å; L306-L310 PolarHBondContact O-N 2.63Å
307Q89.3Confident83.7Confident106 Ų106105.4 Ų105.450%0.49557%0.567SS.*Hα-helixtrans-68.2-39.3173.8-77.7173.3-7.500112.2I303 L304 E305 T311I303-Q307 HydrophobicContact CG2-CG 4.46Å; I303-Q307 WeakPolarHBondContact O-CB 3.29Å; I303-Q307 VanDerWaalsContact O-CG 3.23Å; I303-Q307 WeakPolarHBondContact O-CG 3.45Å; I303-Q307 PolarHBondContact O-N 3.09Å; L304-Q307 PolarHBondContact O-N 3.14Å; E305-Q307 VanDerWaalsContact C-N 3.33Å; E305-Q307 PolarHBondContact O-N 3.12Å; Q307-T311 WeakPolarHBondContact O-CB 3.08Å; Q307-T311 PolarHBondContact O-N 3.43Å; Q307-T311 PolarHBondContact O-OG1 3.47Å
308E91.1Very high81.4Confident145 Ų145104.6 Ų104.668%0.67858%0.576SS**Hα-helixtrans-64.8-47174.1-176.9173-167.400111.2L304 E305 L310 T311 S312L304-E308 PolarHBondContact O-N 3.26Å; E305-E308 PolarHBondContact O-N 2.91Å; E308-L310 PolarHBondContact O-N 3.34Å; E308-T311 PolarHBondContact O-N 3.42Å; E308-S312 PolarHBondContact O-N 2.83Å; E308-S312 PolarHBondContact O-OG 2.91Å
309Q88.5Confident79.1Confident94 Ų94106.2 Ų106.244%0.43959%0.588SS.*Hα-helixtrans-58.1-47.1174.9-71.2177.513.800111.5E305 T311 S312 L313E305-Q309 WeakPolarHBondContact O-CG 3.4Å; E305-Q309 PolarHBondContact O-N 2.94Å; Q309-T311 VanDerWaalsContact C-N 3.33Å; Q309-T311 PolarHBondContact O-N 2.62Å; Q309-S312 PolarHBondContact O-N 3.21Å; Q309-S312 PolarHBondContact O-OG 3.29Å; Q309-L313 WeakPolarHBondContact O-CG 3.28Å; Q309-L313 PolarHBondContact O-N 3.42Å
310L84.8Confident76.6Confident111 Ų111109.4 Ų109.458%0.58160%0.6SS**Hα-helixtrans-62.7-39.1176.9-175.762.5000112.2L306 E308 L313 I314L306-L310 VanDerWaalsContact O-CB 3.32Å; L306-L310 WeakPolarHBondContact O-CB 3.09Å; L306-L310 PolarHBondContact O-N 2.63Å; E308-L310 PolarHBondContact O-N 3.34Å; L310-L313 PolarHBondContact O-N 3.19Å; L310-I314 WeakPolarHBondContact O-CG1 3.39Å; L310-I314 PolarHBondContact O-N 2.93Å
311T85.8Confident74.2Confident94 Ų94113.9 Ų113.958%0.57763%0.625SS**Hα-helixtrans-67-38.2178.5-560000111.7Q307 E308 Q309 L313 I314Q307-T311 WeakPolarHBondContact O-CB 3.08Å; Q307-T311 PolarHBondContact O-N 3.43Å; Q307-T311 PolarHBondContact O-OG1 3.47Å; E308-T311 PolarHBondContact O-N 3.42Å; Q309-T311 VanDerWaalsContact C-N 3.33Å; Q309-T311 PolarHBondContact O-N 2.62Å; T311-L313 VanDerWaalsContact C-N 3.27Å; T311-L313 PolarHBondContact O-N 3.42Å; T311-I314 PolarHBondContact O-N 3.17Å
312S77.5Confident71.6Confident97 Ų97115.6 Ų115.668%0.67864%0.64SS**Hα-helixtrans-70.1-21.8176.367.90000113.8E308 Q309E308-S312 PolarHBondContact O-N 2.83Å; E308-S312 PolarHBondContact O-OG 2.91Å; Q309-S312 PolarHBondContact O-N 3.21Å; Q309-S312 PolarHBondContact O-OG 3.29Å
313L73.3Confident69.4Low136 Ų136121.1 Ų121.171%0.71266%0.658SS**THydrogen-bonded Turntrans-85.7-8.2175.6-70.5168.5000114.1Q309 L310 T311 P315Q309-L313 WeakPolarHBondContact O-CG 3.28Å; Q309-L313 PolarHBondContact O-N 3.42Å; L310-L313 PolarHBondContact O-N 3.19Å; T311-L313 VanDerWaalsContact C-N 3.27Å; T311-L313 PolarHBondContact O-N 3.42Å; L313-P315 WeakPolarHBondContact O-CD 3.27Å
314I69.7Low67.2Low98 Ų98124.2 Ų124.250%0.50368%0.675SS.*SBendtrans-88.5115.4174.5-65.9165.1000108.6L310 T311 C316L310-I314 WeakPolarHBondContact O-CG1 3.39Å; L310-I314 PolarHBondContact O-N 2.93Å; T311-I314 PolarHBondContact O-N 3.17Å; I314-C316 PolarHBondContact O-N 3.28Å; I314-C316 VanDerWaalsContact O-N 3.09Å
315P56.3Low64.5Low110 Ų110126.9 Ų126.971%0.71469%0.689SS**  trans-68.1111178.7-18.532.8000110.9L313 D317L313-P315 WeakPolarHBondContact O-CD 3.27Å; P315-D317 PolarHBondContact O-N 2.72Å
316C52.9Low62.2Low110 Ų110127.2 Ų127.274%0.74370%0.701SS**  trans-77.764.4172.1-80.60000111.6I314 S318I314-C316 PolarHBondContact O-N 3.28Å; I314-C316 VanDerWaalsContact O-N 3.09Å; C316-S318 PolarHBondContact O-N 2.95Å
317D43.3Very low59.9Low149 Ų149130.3 Ų130.380%0.79772%0.716SS**  trans-70.678.1167.9-87.7-25.2000110.2P315 N319P315-D317 PolarHBondContact O-N 2.72Å; D317-N319 PolarHBondContact O-N 3.19Å
318S47.4Very low57.6Low102 Ų102130.7 Ų130.771%0.71373%0.728SS**  trans-80.163173.6-64.70000110.6C316C316-S318 PolarHBondContact O-N 2.95Å
319N46.3Very low55.4Low139 Ų139131.7 Ų131.774%0.74374%0.737SS**SBendtrans-166.5136.2154.9-88.4-42.2000109.3D317D317-N319 PolarHBondContact O-N 3.19Å
320H43.7Very low53Low181 Ų181134.1 Ų134.184%0.83875%0.751SS**  trans76.958.5-179.9-46.8-75.4000118.2
321L43.5Very low51Low186 Ų186135.9 Ų135.997%0.97476%0.761SS**  trans-117.266.4151.9-125.396.5000112.1
322A41.3Very low48.8Very low92 Ų92140.5 Ų140.576%0.7678%0.776SS**  trans-97.9100.4168.700000110.2
323K48.7Very low47Very low190 Ų190146.9 Ų146.983%0.82679%0.786SS**SBendtrans67.7135.3164.7-58.7179.4178.2179.10117.7
324D48.1Very low45.3Very low153 Ų153145.8 Ų145.882%0.81879%0.787SS**  trans58.994.7159.6-51.3-34.6000118.3
325L37.8Very low43.8Very low168 Ų168148.3 Ų148.388%0.8881%0.807SS**  trans-143.9138152.7-150.366.2000110.9
326P44.5Very low42.8Very low113 Ų113150.9 Ų150.973%0.73481%0.814SS**PPolyproline II helixtrans-78.5153.9-1782.813000112.1P328P326-P328 VanDerWaalsContact O-CD 3.29Å; P326-P328 WeakPolarHBondContact O-CD 3.29Å
327I44.2Very low41.9Very low163 Ų163152.5 Ų152.584%0.83682%0.815SS**PPolyproline II helixtrans-58.5117.7176.6-58.1164.1000109.9
328P41.5Very low41.6Very low114 Ų114151.2 Ų151.274%0.7482%0.815SS**PPolyproline II helixtrans-74.3137.7171.3-8.725.4000109.9P326P326-P328 VanDerWaalsContact O-CD 3.29Å; P326-P328 WeakPolarHBondContact O-CD 3.29Å
329L43.8Very low40.9Very low165 Ų165157.1 Ų157.186%0.86482%0.823SS**PPolyproline II helixtrans-65138.7169.5-83.693.3000110.4N331L329-N331 PolarHBondContact O-N 3.44Å
330I39.8Very low40.6Very low145 Ų145156.8 Ų156.874%0.74482%0.821SS**SBendtrans-51.8128.9162.6-134.4162.3000108.1
331N42.4Very low40.3Very low149 Ų149154.4 Ų154.480%0.79781%0.813SS**  trans142.717.8168.5-73.4-14.9000115.8L329L329-N331 PolarHBondContact O-N 3.44Å
332Q39.5Very low39.9Very low190 Ų190153.1 Ų153.189%0.88880%0.802SS**  trans-130.190.7167.4-68.8-172.27.800111.8
333W38.6Very low39.8Very low232 Ų232156.2 Ų156.288%0.87980%0.801SS**  trans-97.1133.5159.2-72.391.2000108.3T335W333-T335 PolarHBondContact O-N 3.46Å
334P37.1Very low39.1Very low113 Ų113152.6 Ų152.673%0.73479%0.791SS**  trans-65.6130.6174.3-18.631.6000110.8L336P334-L336 PolarHBondContact O-N 3Å
335T39.3Very low38.4Very low150 Ų150152.8 Ų152.892%0.9279%0.788SS**  trans-69.1109.7168.1-8.10000108.6W333W333-T335 PolarHBondContact O-N 3.46Å
336L35.5Very low38.4Very low165 Ų165152.5 Ų152.586%0.86478%0.78SS**  trans-85.7121.4172.4-87161.6000109.9P334P334-L336 PolarHBondContact O-N 3Å
337D33.7Very low38.1Very low144 Ų144154.1 Ų154.177%0.7778%0.782SS**  trans-65.8155.3170-98.4-39.9000111.5Y339D337-Y339 PolarHBondContact O-N 3.09Å
338P37.1Very low37.7Very low121 Ų121155.7 Ų155.779%0.78678%0.783SS**  trans-75.5110.6-167.429.6-34.8000112.4
339Y31.7Very low37.5Very low226 Ų226160.7 Ų160.789%0.88679%0.787SS**  trans-94138.8162.4-96.9-92000111.5D337 I341D337-Y339 PolarHBondContact O-N 3.09Å; Y339-I341 PolarHBondContact O-N 2.99Å
340D40.4Very low37Very low133 Ų133164.2 Ų164.271%0.71179%0.789SS**  trans-73.6117.6-168.8-170.71.6000112.7Q342D340-Q342 PolarHBondContact OD1-N 2.89Å
341I37.1Very low36.5Very low130 Ų130168.1 Ų168.167%0.66779%0.794SS**  trans-133.567.8169.7-49.7-179000108.8Y339 E343Y339-I341 PolarHBondContact O-N 2.99Å; I341-E343 VanDerWaalsContact C-N 3.25Å; I341-E343 PolarHBondContact O-N 3.49Å
342Q36.4Very low36.2Very low159 Ų159166.6 Ų166.674%0.74380%0.795SS**  trans-72.3-9.6177.7-172.7167.1-15.100114.6D340D340-Q342 PolarHBondContact OD1-N 2.89Å
343E38.1Very low36Very low157 Ų157166.6 Ų166.673%0.73479%0.793SS**SBendtrans-88.9-37.3-169.7-72.8-89.299.600115.2I341I341-E343 VanDerWaalsContact C-N 3.25Å; I341-E343 PolarHBondContact O-N 3.49Å
344D34.8Very low35.8Very low114 Ų114161.4 Ų161.461%0.6179%0.789SS**SBendtrans-89.4-4.2-170.4-99.7-33.3000116.1K346D344-K346 PolarHBondContact O-N 2.83Å
345M32.7Very low35.4Very low157 Ų157160 Ų16077%0.77378%0.781SS**THydrogen-bonded Turntrans-69.117.5179.8-95.3-74.1146.100115.4
346K38.2Very low35.2Very low163 Ų163159.8 Ų159.871%0.70978%0.78SS**THydrogen-bonded Turntrans-109.5-13.7-177.3-71.1175.2-174.1156.80114.9D344D344-K346 PolarHBondContact O-N 2.83Å
347L38.3Very low35.1Very low146 Ų146159.8 Ų159.876%0.76478%0.776SS**SBendtrans-89.5-22.5-179.6-71.3173000114.4R349L347-R349 PolarHBondContact O-N 2.77Å
348F35.2Very low35.1Very low197 Ų197160.8 Ų160.886%0.86478%0.78SS**SBendtrans-97.635.5179.6-67.9-76.7000114.7
349R39Very low34.8Very low218 Ų218163.1 Ų163.182%0.82379%0.785SS**  trans-116.368.9176.1-165.7-177.2-75.7-151.2-2.4113.2L347L347-R349 PolarHBondContact O-N 2.77Å
350R33.2Very low34.7Very low239 Ų239157.9 Ų157.990%0.90278%0.782SS**  trans-173.1131.6161.1-101.5167.6-163.4-155.25.1107.7
351R29.1Very low34.1Very low228 Ų228158.2 Ų158.286%0.8679%0.788SS**  cis-128.1139.4-7.1-77.3171.3164.1152.7-7.5107.9
352S35.3Very low33.6Very low116 Ų116160.1 Ų160.181%0.81179%0.794SS**PPolyproline II helixtrans-64.8131.1160.949.50000109.8
353F34.9Very low33.3Very low191 Ų191158.7 Ų158.784%0.83880%0.796SS**PPolyproline II helixtrans-61149.4166.4-63.5-86.8000110.1S355F353-S355 PolarHBondContact O-N 3.25Å
354P34.1Very low32.6Very low122 Ų122155.9 Ų155.979%0.79279%0.794SS**PPolyproline II helixtrans-63120.5168.8-16.430.4000109.5
355S30.2Very low32.3Very low83 Ų83158.4 Ų158.458%0.5881%0.807SS**PPolyproline II helixtrans-61.4137.7169-177.20000109.6F353 E357F353-S355 PolarHBondContact O-N 3.25Å; S355-E357 PolarHBondContact O-N 2.65Å; S355-E357 WeakPolarHBondContact OG-CG 3.16Å; S355-E357 PolarHBondContact OG-OE2 2.62Å
356T33.6Very low31.9Very low147 Ų147158.3 Ų158.390%0.90281%0.809SS**SBendtrans-77.146.1176.8-16.20000112.1
357E34.3Very low31.3Very low164 Ų164155.8 Ų155.877%0.76681%0.812SS**  trans-113.455.2-178.4-74.7-179.5141.800111.6S355S355-E357 PolarHBondContact O-N 2.65Å; S355-E357 WeakPolarHBondContact OG-CG 3.16Å; S355-E357 PolarHBondContact OG-OE2 2.62Å
358L33.3Very low30.7Very low166 Ų166156.4 Ų156.487%0.86982%0.816SS**SBendtrans-139.733.6169.8-97.4-179000113.6
359L31.2Very low30.3Very low170 Ų170151.6 Ų151.689%0.8981%0.807SS**  trans-140.253166-76.6-177.5000112.7
360S28.6Very low29.8Very low115 Ų115150.2 Ų150.280%0.80481%0.81SS**  trans-136.680.2163.5-69.90000110.1E362S360-E362 VanDerWaalsContact C-N 3.34Å; S360-E362 PolarHBondContact O-N 2.89Å
361V28.3Very low29.5Very low140 Ų140149.3 Ų149.385%0.84881%0.806SS**  trans-83.187.8160.4177.80000106.9V363V361-V363 HydrophobicContact CG1-CG2 4.49Å
362E27.3Very low29.5Very low170 Ų170146.7 Ų146.779%0.79481%0.808SS**  trans-74.6120.5160.1-76.5-165.114800108.9S360S360-E362 VanDerWaalsContact C-N 3.34Å; S360-E362 PolarHBondContact O-N 2.89Å
363V28.8Very low29.1Very low130 Ų130149.7 Ų149.779%0.78881%0.809SS**  trans-89102.4155.2173.30000106.1V361V361-V363 HydrophobicContact CG1-CG2 4.49Å
364S24.7Very low28.7Very low97 Ų97144.1 Ų144.168%0.67881%0.806SS**  trans-64.3133.1171.4-54.60000111.1
365L27.3Very low28.4Very low168 Ų168148.7 Ų148.788%0.8881%0.813SS**  trans-142.8134.3143.7-79.7-177.2000108.4
366D25.4Very low28.3Very low155 Ų155153 Ų15383%0.82982%0.824SS**  trans-62.1150.2-174.9-63.2-67.7000114.4
367S25.8Very low28.1Very low110 Ų110153.9 Ų153.977%0.76982%0.823SS**  171.1116.2108.4-71.20000113.9
368D24.7Very low27.8Very low159 Ų159149.6 Ų149.685%0.8582%0.823SS**  trans49.1138.7140.9-78.8-33.2000125.4
369S26.8Very low27.4Very low96 Ų96145.3 Ų145.367%0.67182%0.818SS**  trans74.9131.2143.4-176.80000118
370Q28.3Very low27.2Very low188 Ų188144 Ų14488%0.87982%0.818SS**  cis-156.1157.112-127.2162.23600111.9
371R27.6Very low27Very low221 Ų221150 Ų15083%0.83482%0.823SS**  trans-68.5146.4172.5-69.8170.9163.9176.3-7.2113
372I29.5Very low26.8Very low173 Ų173149.1 Ų149.189%0.88782%0.822SS**  trans-142134.5134.1-64.1-169.3000109.4
373E26.3Very low26.8Very low178 Ų178147.6 Ų147.683%0.83283%0.825SS**  trans-86.6156.2177.9-63.6169.3115.300112.9
374G26.8Very low26.8Very low75 Ų75145.1 Ų145.177%0.77383%0.825SS**  trans-150.921.6-167.200000120.3
375K27.9Very low26.9Very low217 Ų217149.4 Ų149.494%0.94383%0.832SS**  trans60.4144.2163.1-99.7176.6176.8174.70121.6
376Q28.9Very low27Very low174 Ų174149.2 Ų149.281%0.81383%0.831SS**  trans-91.1160.1174.6-63.6168.8-24.900113.2
377N28.1Very low27.2Very low166 Ų166151.7 Ų151.789%0.88883%0.831SS**  trans137.7141.6148.3-76-8.1000110.4
378G28.7Very low27.5Very low74 Ų74153 Ų15376%0.76383%0.834SS**  cis-167.8154.2-4.300000108.3
379G25Very low28Very low75 Ų75150.9 Ų150.977%0.77383%0.829SS**  trans-87.4164.7-166.600000116.1
380T25.7Very low28.1Very low144 Ų144152 Ų15288%0.88384%0.837SS**  trans-139.9133.6158.8-58.20000108
381W24.7Very low28.3Very low239 Ų239151.6 Ų151.691%0.90584%0.837SS**  trans-103.9178-179.2-87.949.7000111.9
382C24.8Very low28.8Very low123 Ų123148.3 Ų148.383%0.83183%0.833SS**  trans83.1135.9177.9-53.90000114.4
383T27.6Very low28.8Very low138 Ų138143.2 Ų143.285%0.84782%0.823SS**  cis-134.8160.36.146.80000112
384G28.6Very low29.1Very low77 Ų77142.3 Ų142.379%0.79482%0.823SS**  trans-72.1157.8-169.300000117.2
385K27.3Very low29.3Very low188 Ų188145.2 Ų145.282%0.81783%0.83SS**  trans-152.5130.7155.2-106.1174.1-179.5174.90107.4Y387K385-Y387 PolarHBondContact O-N 3.35Å
386D29.5Very low29.3Very low163 Ų163138.1 Ų138.187%0.87282%0.818SS**  trans-64.3115.5-178.4-55.4-73.2000111.1
387Y29.8Very low29.3Very low208 Ų208135.2 Ų135.282%0.81682%0.817SS**  trans-134.8102.8166.9-95.4-83.1000109K385 P389K385-Y387 PolarHBondContact O-N 3.35Å; Y387-P389 WeakPolarHBondContact O-CD 3.31Å
388T31.9Very low29.5Very low136 Ų136136 Ų13683%0.83482%0.821SS**  trans-60117.5173.6-37.80000109.7S390T388-S390 PolarHBondContact O-N 2.62Å; T388-S390 VanDerWaalsContact O-N 3.07Å
389P33.8Very low29.6Very low116 Ų116136.3 Ų136.375%0.75382%0.816SS**  trans-79.29517531.1-30.5000108.7Y387 M391Y387-P389 WeakPolarHBondContact O-CD 3.31Å; P389-M391 PolarHBondContact O-N 2.73Å
390S30.2Very low29.7Very low119 Ų119138.1 Ų138.183%0.83282%0.817SS**PPolyproline II helixtrans-65.2119.8172-168.70000109.6T388T388-S390 PolarHBondContact O-N 2.62Å; T388-S390 VanDerWaalsContact O-N 3.07Å
391M32.6Very low29.9Very low179 Ų179139 Ų13988%0.88282%0.815SS**PPolyproline II helixtrans-66139.6-178.8-81.4-90.7-76.900111.7P389P389-M391 PolarHBondContact O-N 2.73Å
392M36.1Very low30.3Very low153 Ų153132.7 Ų132.775%0.75481%0.805SS**PPolyproline II helixtrans-74.7143.2179.4-143.9103.7171.500111.4W79W79-M392 HydrophobicContact CH2-CG 4.27Å; W79-M392 HydrophobicContact CZ2-CE 3.84Å; W79-M392 HydrophobicContact CZ2-CG 3.88Å; W79-M392 HydrophobicContact CZ2-SD 4.15Å
393G30.9Very low30.5Very low65 Ų65132.4 Ų132.467%0.6780%0.804SS**  trans150.7112159.100000115.1
394L31.2Very low30.8Very low159 Ų159131.8 Ų131.883%0.83280%0.8SS**  trans155.356.3145.2-83.3175.7000111.3G396L394-G396 PolarHBondContact O-N 2.78Å
395C32.7Very low31.1Very low136 Ų136137.2 Ų137.292%0.91980%0.802SS**  trans-8691.9158.9-67.80000108.4
396G28Very low31.3Very low68 Ų68133.6 Ų133.670%0.70180%0.801SS**  trans-62.4145174.300000112.1L394 L398L394-G396 PolarHBondContact O-N 2.78Å; G396-L398 PolarHBondContact O-N 3Å
397S28.7Very low31.4Very low114 Ų114134.9 Ų134.980%0.79781%0.806SS**  trans-52.6134.1-179.4-58.70000113.5A399S397-A399 PolarHBondContact O-N 3.49Å
398L30.8Very low31.5Very low183 Ų183129.3 Ų129.396%0.95880%0.804SS**  trans-70.476.6161-75.3172.1000110.2G396G396-L398 PolarHBondContact O-N 3Å
399A31.9Very low31.5Very low80 Ų80127.6 Ų127.666%0.66180%0.797SS**  trans-123.357.5171.100000110S397 L401S397-A399 PolarHBondContact O-N 3.49Å; A399-L401 PolarHBondContact O-N 3.01Å
400S27Very low31.3Very low113 Ų113131.4 Ų131.479%0.7980%0.802SS**  trans-70.4110.4166.247.60000109.3
401L29.9Very low31.3Very low161 Ų161135.5 Ų135.584%0.84381%0.805SS**  trans-60.2140.5173-72.7164000110.1A399 S403A399-L401 PolarHBondContact O-N 3.01Å; L401-S403 PolarHBondContact O-N 3.09Å
402P32.3Very low31.1Very low107 Ų107132.5 Ų132.570%0.69580%0.801SS**  trans-71.2117.3-177.228.3-33.8000111T404P402-T404 PolarHBondContact O-N 2.81Å
403S28.8Very low30.9Very low117 Ų117130.5 Ų130.582%0.81880%0.803SS**  trans-72.891.1170.3-172.60000110.1L401 K405L401-S403 PolarHBondContact O-N 3.09Å; S403-K405 PolarHBondContact O-N 2.85Å
404T35.7Very low31Very low125 Ų125136.3 Ų136.377%0.76781%0.812SS**  trans-80.497.9176.652.30000111.2P402P402-T404 PolarHBondContact O-N 2.81Å
405K34Very low30.9Very low192 Ų192134.6 Ų134.684%0.83581%0.812SS**  trans-135.1103.4158.4-72.8-166.8176.8-179.90111.6S403S403-K405 PolarHBondContact O-N 2.85Å
406S32.1Very low30.8Very low112 Ų112136.1 Ų136.178%0.78381%0.811SS**  trans43.8102.6160.4-61.60000120
407L31.6Very low30.9Very low189 Ų189139.3 Ų139.399%0.9982%0.816SS**  -124.4103.7127.6-76.8179000108.5
408A31.8Very low30.8Very low92 Ų92140.6 Ų140.676%0.7681%0.814SS**  trans-103.2148.5168.400000109.1
409S32.5Very low30.8Very low100 Ų100139.5 Ų139.570%0.69981%0.807SS**  trans71.384.1175-163.10000117.6
410F28.2Very low30.7Very low196 Ų196141.1 Ų141.186%0.8681%0.814SS**  -125.5105.3121.3-82.5-77.5000108.2
411K30.6Very low31.2Very low205 Ų205141.9 Ų141.989%0.89181%0.814SS**  trans-81.6108.3165.2-82.1-178.4174.1178.90107.4
412S28.8Very low31.2Very low115 Ų115143.3 Ų143.380%0.80482%0.816SS**PPolyproline II helixtrans-83.8118.2158.8-60.30000108.4
413S30.7Very low31.1Very low112 Ų112145.5 Ų145.578%0.78382%0.822SS**PPolyproline II helixtrans-76.4124.4162.849.70000109.2
414E33.8Very low31.4Very low186 Ų186145.5 Ų145.587%0.86982%0.822SS**PPolyproline II helixtrans-70.2136.6171.3-62.1169.4141.900110
415C30Very low31.5Very low123 Ų123145.4 Ų145.483%0.83182%0.823SS**  trans-131.5107157.9-83.10000108.5
416L30.7Very low31.4Very low169 Ų169140.6 Ų140.689%0.88582%0.82SS**  trans-66.3129.7168.1-69.1160.6000108.9
417V28.5Very low31.6Very low135 Ų135143.7 Ų143.782%0.81883%0.827SS**  trans-92.5109.9167.6178.20000107.9I419V417-I419 PolarHBondContact O-N 2.97Å
418N28.3Very low31.7Very low140 Ų140139.9 Ų139.975%0.74982%0.816SS**  trans-63.1130.6168-77.6-28.5000109.4S420N418-S420 PolarHBondContact O-N 3.36Å; N418-S420 VanDerWaalsContact O-N 3.14Å
419I30.4Very low32.3Very low161 Ų161141.5 Ų141.583%0.82682%0.818SS**  trans-7995.8171.5-58.4172.9000107.3V417 T421V417-I419 PolarHBondContact O-N 2.97Å; I419-T421 PolarHBondContact O-N 3.42Å
420S28.7Very low32.8Very low113 Ų113146 Ų14679%0.7985%0.85SS**  trans-72.9118166.9-68.10000109.4N418N418-S420 PolarHBondContact O-N 3.36Å; N418-S420 VanDerWaalsContact O-N 3.14Å
421T38.6Very low33Very low129 Ų129143.6 Ų143.679%0.79185%0.85SS**  trans-74.8117.5168.447.30000110I419I419-T421 PolarHBondContact O-N 3.42Å
422E28.9Very low33.2Very low192 Ų192140.3 Ų140.390%0.89785%0.848SS**  trans-144.9150.5158.8-126.8175.7171.600111.6
423N30.8Very low33.4Very low152 Ų152141.7 Ų141.781%0.81385%0.85SS**  trans-89.5150.8-153.4-66.4-31.9000113.9
424S33.9Very low33.6Very low117 Ų117143.5 Ų143.582%0.81885%0.854SS**  trans-61.6154163.5-45.10000111.9
425P39Very low33.6Very low123 Ų123140.8 Ų140.880%0.79985%0.853SS**  trans-115.6134.1135.732.9-27.5000110.7
426A32Very low33.8Very low92 Ų92142 Ų14276%0.7685%0.854SS**  trans-79.6147.917200000110.7
427L36Very low34Very low177 Ų177140.1 Ų140.193%0.92785%0.852SS**  trans-106.6117.5164.2-76.4167.5000108.8
428S33Very low34.4Very low109 Ų109140.5 Ų140.576%0.76286%0.855SS**  trans-84.4144.8170.5-54.30000110.2
429P45.2Very low34.9Very low125 Ų125140.5 Ų140.581%0.81286%0.864SS**  trans-79.5153.9169.833.4-33.4000111.5
430S42.9Very low35.4Very low196 Ų196138.6 Ų138.6100%1.37187%0.867SS**  trans-143.60162.1-66.20000108.2

Retrieved 430 of 430 residues in 665 ms (Link to these results)

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