A0A087XCR1_POEFO Loading...

peptidyl-tRNA hydrolase

AlphaFold DB , UniProt , Accession A0A087XCR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 265 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
1M48.3Very low46.4Very low239 Ų239156 Ų156100%1.17778%0.775SS**  0144.30-78.7164.970.900109.3
2K47.7Very low46.8Very low200 Ų200149.7 Ų149.787%0.8775%0.753SS**  trans85.287.9179-61.5179.4177.6176.30117.5
3N44.5Very low47.4Very low171 Ų171147.9 Ų147.991%0.91475%0.745SS**  trans-175.561.7131.1-103.3-8.5000112.7
4R46.8Very low47.2Very low252 Ų252144.5 Ų144.595%0.95173%0.73SS**  trans-122.534.8172.4-96.2-167.7-179.5-173.11.8112.9
5S51.3Low47.4Very low77 Ų77138.3 Ų138.354%0.53871%0.705SS.*  trans-126.56.7-171.6-178.40000116.2
6F43.6Very low47.7Very low183 Ų183136.3 Ų136.380%0.80369%0.692SS**SBendtrans-96-29.3179.9-155.3-103.2000113.7
7L40.6Very low47.8Very low163 Ų163136.3 Ų136.385%0.85369%0.686SS**THydrogen-bonded Turntrans-82.1-15.9-176.8-84.3150.7000114.7
8T43.3Very low47.8Very low105 Ų105136.3 Ų136.364%0.64468%0.681SS**THydrogen-bonded Turntrans-88.4-10.1-178.422.60000114.6
9K49.9Very low47.7Very low158 Ų158135.8 Ų135.869%0.68767%0.674SS**SBendtrans-100.7-13.2-179.9-70.8-173.8177.6-178.50114.9
10V47.2Very low47.8Very low76 Ų76135.6 Ų135.646%0.46167%0.669SS.*SBendtrans-90-22.9-176.9-1740000112.5L14V10-L14 HydrophobicContact CG1-CD1 4.28Å; V10-L14 PolarHBondContact O-N 2.91Å
11C47.4Very low47.7Very low92 Ų92133.1 Ų133.162%0.62266%0.658SS**Hα-helixtrans-69.7-37.6-174-154.20000115.8S15C11-S15 VanDerWaalsContact O-CB 3.32Å; C11-S15 WeakPolarHBondContact O-CB 3.26Å; C11-S15 PolarHBondContact O-N 3.1Å; C11-S15 VanDerWaalsContact O-N 3.16Å
12P51.3Low47.6Very low80 Ų80127.1 Ų127.152%0.51963%0.631SS.*Hα-helixtrans-72.1-36.3-178.8-17.630.7000113.3S15 H16P12-S15 PolarHBondContact O-N 3.32Å; P12-H16 WeakPolarHBondContact O-CB 3.16Å; P12-H16 PolarHBondContact O-N 3.37Å
13I53.7Low48.1Very low127 Ų127122.4 Ų122.465%0.65162%0.615SS**Hα-helixtrans-72.5-42.6-176.8-59.4170.4000110.2H16 F17I13-H16 PolarHBondContact O-N 3.29Å; I13-F17 VanDerWaalsContact O-CB 3.32Å; I13-F17 WeakPolarHBondContact O-CB 2.89Å; I13-F17 PolarHBondContact O-N 3.39Å
14L45.8Very low48.5Very low100 Ų100120.7 Ų120.752%0.52460%0.599SS.*Hα-helixtrans-61.9-45.1172.9-117.481.9000111.2V10 H16 F17 F18V10-L14 HydrophobicContact CG1-CD1 4.28Å; V10-L14 PolarHBondContact O-N 2.91Å; L14-H16 PolarHBondContact O-N 3.16Å; L14-F17 PolarHBondContact O-N 3.33Å; L14-F18 WeakPolarHBondContact O-CB 3.46Å; L14-F18 WeakPolarHBondContact O-CD2 3.25Å; L14-F18 PolarHBondContact O-N 3.02Å
15S49.9Very low48.9Very low51 Ų51111.6 Ų111.636%0.35757%0.572SS.*Hα-helixtrans-61.1-42.31771780000112.3C11 P12 K19C11-S15 VanDerWaalsContact O-CB 3.32Å; C11-S15 WeakPolarHBondContact O-CB 3.26Å; C11-S15 PolarHBondContact O-N 3.1Å; C11-S15 VanDerWaalsContact O-N 3.16Å; P12-S15 PolarHBondContact O-N 3.32Å; S15-K19 WeakPolarHBondContact O-CB 3.37Å; S15-K19 VanDerWaalsContact O-CG 3.26Å; S15-K19 WeakPolarHBondContact O-CG 3.34Å; S15-K19 PolarHBondContact O-N 3.36Å
16H51.3Low49Very low107 Ų107111.4 Ų111.450%0.49557%0.568SS.*Hα-helixtrans-69.9-38.3178.1-168.359000112.4P12 I13 L14 K19 K20P12-H16 WeakPolarHBondContact O-CB 3.16Å; P12-H16 PolarHBondContact O-N 3.37Å; I13-H16 PolarHBondContact O-N 3.29Å; L14-H16 PolarHBondContact O-N 3.16Å; H16-K19 PolarHBondContact O-N 3.43Å; H16-K20 VanDerWaalsContact NE2-CE 3.26Å; H16-K20 WeakPolarHBondContact NE2-CE 3.38Å; H16-K20 PolarHBondContact NE2-NZ 2.66Å; H16-K20 WeakPolarHBondContact O-CB 3.35Å; H16-K20 PolarHBondContact O-N 3.2Å
17F50Low49.8Very low136 Ų136108.4 Ų108.460%0.59656%0.557SS**Hα-helixtrans-66.1-43.8174.3-169.6-99000111.7I13 L14 K20 L21I13-F17 VanDerWaalsContact O-CB 3.32Å; I13-F17 WeakPolarHBondContact O-CB 2.89Å; I13-F17 PolarHBondContact O-N 3.39Å; L14-F17 PolarHBondContact O-N 3.33Å; F17-K20 PolarHBondContact O-N 3.39Å; F17-L21 VanDerWaalsContact O-CB 3.24Å; F17-L21 WeakPolarHBondContact O-CB 3.47Å; F17-L21 PolarHBondContact O-N 3.2Å
18F47Very low50.5Low136 Ų136105.6 Ų105.660%0.59654%0.535SS*.Hα-helixtrans-63.4-41.6173.9-95.3-88.5000112.1L14 L21 L22L14-F18 WeakPolarHBondContact O-CB 3.46Å; L14-F18 WeakPolarHBondContact O-CD2 3.25Å; L14-F18 PolarHBondContact O-N 3.02Å; F18-L21 PolarHBondContact O-N 2.85Å; F18-L22 WeakPolarHBondContact O-CB 3.43Å; F18-L22 PolarHBondContact O-N 2.72Å
19K46.1Very low51.2Low127 Ų127107.3 Ų107.355%0.55253%0.53SS*.Hα-helixtrans-65-42174.3-75.6176.2-177.4-176.50112S15 H16 N23S15-K19 WeakPolarHBondContact O-CB 3.37Å; S15-K19 VanDerWaalsContact O-CG 3.26Å; S15-K19 WeakPolarHBondContact O-CG 3.34Å; S15-K19 PolarHBondContact O-N 3.36Å; H16-K19 PolarHBondContact O-N 3.43Å; K19-N23 WeakPolarHBondContact O-CB 3.35Å; K19-N23 PolarHBondContact O-N 2.96Å; K19-N23 PolarHBondContact O-ND2 2.61Å; K19-N23 PolarHBondContact O-OD1 2.88Å
20K49.6Very low51.8Low131 Ų131104.3 Ų104.357%0.5752%0.521SS*.Hα-helixtrans-64.2-42.8174.5-88.4-178.4169.4172.50112.1H16 F17 N23 F24H16-K20 VanDerWaalsContact NE2-CE 3.26Å; H16-K20 WeakPolarHBondContact NE2-CE 3.38Å; H16-K20 PolarHBondContact NE2-NZ 2.66Å; H16-K20 WeakPolarHBondContact O-CB 3.35Å; H16-K20 PolarHBondContact O-N 3.2Å; F17-K20 PolarHBondContact O-N 3.39Å; K20-N23 PolarHBondContact O-N 3.4Å; K20-F24 WeakPolarHBondContact O-CB 3.5Å; K20-F24 PolarHBondContact O-N 3.46Å
21L45.8Very low52.7Low85 Ų85105.9 Ų105.945%0.44553%0.526SS..Hα-helixtrans-68.7-41.9178.3-171.767.2000111.6F17 F18 F24 V25F17-L21 VanDerWaalsContact O-CB 3.24Å; F17-L21 WeakPolarHBondContact O-CB 3.47Å; F17-L21 PolarHBondContact O-N 3.2Å; F18-L21 PolarHBondContact O-N 2.85Å; L21-F24 PolarHBondContact O-N 3.2Å; L21-V25 WeakPolarHBondContact O-CG2 3.38Å; L21-V25 PolarHBondContact O-N 3.38Å
22L46.6Very low53.1Low113 Ų113102.5 Ų102.559%0.59250%0.503SS*.Hα-helixtrans-63-43.2173.9-172.366.7000110.5F18 F24 V25 T26F18-L22 WeakPolarHBondContact O-CB 3.43Å; F18-L22 PolarHBondContact O-N 2.72Å; L22-F24 VanDerWaalsContact C-N 3.34Å; L22-F24 PolarHBondContact O-N 2.67Å; L22-V25 PolarHBondContact O-N 2.88Å; L22-T26 WeakPolarHBondContact O-CB 3.43Å; L22-T26 PolarHBondContact O-N 3.03Å; L22-T26 PolarHBondContact O-OG1 2.68Å
23N57.5Low53.5Low101 Ų101106.8 Ų106.854%0.5451%0.509SS..Hα-helixtrans-63.2-38.2174.1-74.6-10.6000111.9K19 K20 M27K19-N23 WeakPolarHBondContact O-CB 3.35Å; K19-N23 PolarHBondContact O-N 2.96Å; K19-N23 PolarHBondContact O-ND2 2.61Å; K19-N23 PolarHBondContact O-OD1 2.88Å; K20-N23 PolarHBondContact O-N 3.4Å; N23-M27 WeakPolarHBondContact O-CA 3.45Å; N23-M27 WeakPolarHBondContact O-CB 3.49Å; N23-M27 VanDerWaalsContact O-CG 3.22Å; N23-M27 WeakPolarHBondContact O-CG 3.37Å; N23-M27 PolarHBondContact O-N 3.38Å
24F53.4Low54.3Low134 Ų134104.2 Ų104.259%0.58850%0.499SS*.Hα-helixtrans-69.5-45.5177.4-176.7-99.7000112.6K20 L21 L22 T26 M27 R28K20-F24 WeakPolarHBondContact O-CB 3.5Å; K20-F24 PolarHBondContact O-N 3.46Å; L21-F24 PolarHBondContact O-N 3.2Å; L22-F24 VanDerWaalsContact C-N 3.34Å; L22-F24 PolarHBondContact O-N 2.67Å; F24-T26 VanDerWaalsContact C-N 3.32Å; F24-T26 PolarHBondContact O-N 3.19Å; F24-M27 PolarHBondContact O-N 3.28Å; F24-R28 VanDerWaalsContact O-CB 3.27Å; F24-R28 WeakPolarHBondContact O-CB 3.29Å; F24-R28 PolarHBondContact O-N 3.34Å
25V55.3Low55.5Low61 Ų61102.2 Ų102.237%0.3749%0.488SS..Hα-helixtrans-64.7-39.4175.9173.90000110.8L21 L22 R29L21-V25 WeakPolarHBondContact O-CG2 3.38Å; L21-V25 PolarHBondContact O-N 3.38Å; L22-V25 PolarHBondContact O-N 2.88Å; V25-R29 VanDerWaalsContact O-CG 3.29Å; V25-R29 WeakPolarHBondContact O-CG 3.4Å; V25-R29 PolarHBondContact O-N 2.81Å
26T53.6Low56.2Low74 Ų74100.4 Ų100.445%0.45447%0.474SS..Hα-helixtrans-70.5-42177.6-53.10000111.3L22 F24 R29 L30L22-T26 WeakPolarHBondContact O-CB 3.43Å; L22-T26 PolarHBondContact O-N 3.03Å; L22-T26 PolarHBondContact O-OG1 2.68Å; F24-T26 VanDerWaalsContact C-N 3.32Å; F24-T26 PolarHBondContact O-N 3.19Å; T26-R29 PolarHBondContact O-N 2.83Å; T26-L30 VanDerWaalsContact O-CB 3.32Å; T26-L30 WeakPolarHBondContact O-CB 3.46Å; T26-L30 PolarHBondContact O-N 3.05Å
27M59.7Low57Low120 Ų120104.7 Ų104.759%0.59149%0.486SS*.Hα-helixtrans-63.5-41.5173-85.7-71.9-78.400111.8N23 F24 R29 L30 L31N23-M27 WeakPolarHBondContact O-CA 3.45Å; N23-M27 WeakPolarHBondContact O-CB 3.49Å; N23-M27 VanDerWaalsContact O-CG 3.22Å; N23-M27 WeakPolarHBondContact O-CG 3.37Å; N23-M27 PolarHBondContact O-N 3.38Å; F24-M27 PolarHBondContact O-N 3.28Å; M27-R29 VanDerWaalsContact C-N 3.32Å; M27-R29 PolarHBondContact O-N 3.08Å; M27-L30 PolarHBondContact O-N 3.27Å; M27-L30 HydrophobicContact SD-CD2 4.31Å; M27-L31 WeakPolarHBondContact O-CB 3.43Å; M27-L31 PolarHBondContact O-N 3.33Å
28R55.2Low58Low103 Ų103103.6 Ų103.639%0.38949%0.49SS..Hα-helixtrans-62.4-40.9175.2-176.6176.3169.9174.5-0.9111.3F24 T32F24-R28 VanDerWaalsContact O-CB 3.27Å; F24-R28 WeakPolarHBondContact O-CB 3.29Å; F24-R28 PolarHBondContact O-N 3.34Å; R28-T32 WeakPolarHBondContact O-CB 3.29Å; R28-T32 PolarHBondContact O-N 3.33Å; R28-T32 PolarHBondContact O-OG1 2.82Å
29R58.7Low59.2Low142 Ų142100.2 Ų100.254%0.53648%0.478SS..Hα-helixtrans-66-43.9173.8-73.6176.4-175.4-165.91.9111.7V25 T26 M27 T32 R33V25-R29 VanDerWaalsContact O-CG 3.29Å; V25-R29 WeakPolarHBondContact O-CG 3.4Å; V25-R29 PolarHBondContact O-N 2.81Å; T26-R29 PolarHBondContact O-N 2.83Å; M27-R29 VanDerWaalsContact C-N 3.32Å; M27-R29 PolarHBondContact O-N 3.08Å; R29-T32 PolarHBondContact O-N 3.11Å; R29-R33 WeakPolarHBondContact O-CB 3.23Å; R29-R33 WeakPolarHBondContact O-CG 3.49Å; R29-R33 PolarHBondContact O-N 3.02Å
30L63.3Low60.1Low95 Ų9595.4 Ų95.450%0.49746%0.458SS..Hα-helixtrans-64.1-47.2178.8-175.566.2000111T26 M27 T32 R33 V34T26-L30 VanDerWaalsContact O-CB 3.32Å; T26-L30 WeakPolarHBondContact O-CB 3.46Å; T26-L30 PolarHBondContact O-N 3.05Å; M27-L30 PolarHBondContact O-N 3.27Å; M27-L30 HydrophobicContact SD-CD2 4.31Å; L30-T32 VanDerWaalsContact C-N 3.35Å; L30-T32 PolarHBondContact O-N 2.9Å; L30-R33 CarbonylContact O-C 3.6Å; L30-R33 WeakPolarHBondContact O-CB 3.45Å; L30-R33 PolarHBondContact O-N 2.88Å; L30-R33 VanDerWaalsContact O-N 3.13Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 3.39Å
31L64.9Low60.1Low108 Ų10891.1 Ų91.157%0.56545%0.451SS*.Hα-helixtrans-60.2-44.8176.2-174.267000111.1M27 R33 V34 I35M27-L31 WeakPolarHBondContact O-CB 3.43Å; M27-L31 PolarHBondContact O-N 3.33Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.4Å; L31-V34 PolarHBondContact O-N 2.64Å; L31-I35 HydrophobicContact CD1-CD1 4.39Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 WeakPolarHBondContact O-CB 3.42Å; L31-I35 VanDerWaalsContact O-CG1 3.22Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.24Å
32T55.8Low60.2Low22 Ų2294.7 Ų94.714%0.13547%0.466CS..Hα-helixtrans-61.7-40.8175.1-52.70000111.3R28 R29 L30 I35 N36R28-T32 WeakPolarHBondContact O-CB 3.29Å; R28-T32 PolarHBondContact O-N 3.33Å; R28-T32 PolarHBondContact O-OG1 2.82Å; R29-T32 PolarHBondContact O-N 3.11Å; L30-T32 VanDerWaalsContact C-N 3.35Å; L30-T32 PolarHBondContact O-N 2.9Å; T32-I35 PolarHBondContact O-N 3.5Å; T32-N36 WeakPolarHBondContact O-CB 3.34Å; T32-N36 PolarHBondContact O-N 3.5Å; T32-N36 PolarHBondContact O-OD1 3.01Å
33R61Low60.1Low169 Ų16996.8 Ų96.864%0.63847%0.472SS*.Hα-helixtrans-65.4-40.6175.4-75.8175.6179.5177.8-2112.8R29 L30 L31 N36 R37R29-R33 WeakPolarHBondContact O-CB 3.23Å; R29-R33 WeakPolarHBondContact O-CG 3.49Å; R29-R33 PolarHBondContact O-N 3.02Å; L30-R33 CarbonylContact O-C 3.6Å; L30-R33 WeakPolarHBondContact O-CB 3.45Å; L30-R33 PolarHBondContact O-N 2.88Å; L30-R33 VanDerWaalsContact O-N 3.13Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.4Å; R33-N36 PolarHBondContact O-N 2.73Å; R33-R37 VanDerWaalsContact O-CB 3.31Å; R33-R37 WeakPolarHBondContact O-CB 3.19Å; R33-R37 PolarHBondContact O-N 3.4Å
34V69.3Low59.6Low74 Ų7494.4 Ų94.445%0.44846%0.457SS..Hα-helixtrans-65.6-46.4176.3171.40000110L30 L31 N36 R37 V38L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 3.39Å; L31-V34 PolarHBondContact O-N 2.64Å; V34-N36 PolarHBondContact O-N 3.44Å; V34-R37 PolarHBondContact O-N 3.1Å; V34-V38 HydrophobicContact CG1-CG2 4.29Å; V34-V38 WeakPolarHBondContact O-CB 3.29Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.43Å; V34-V38 PolarHBondContact O-N 2.84Å
35I71.4Confident58.9Low58 Ų5895.9 Ų95.930%0.29746%0.464SS..Hα-helixtrans-57.5-49.5174.4-70.6166.3000110.2L31 T32 R37 V38 L39 V128L31-I35 HydrophobicContact CD1-CD1 4.39Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 WeakPolarHBondContact O-CB 3.42Å; L31-I35 VanDerWaalsContact O-CG1 3.22Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.24Å; T32-I35 PolarHBondContact O-N 3.5Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 3.26Å; I35-V38 PolarHBondContact O-N 2.83Å; I35-L39 HydrophobicContact CG2-CD1 3.48Å; I35-L39 VanDerWaalsContact CG2-CD1 3.48Å; I35-L39 HydrophobicContact CG2-CG 4.13Å; I35-L39 VanDerWaalsContact O-CB 3.25Å; I35-L39 WeakPolarHBondContact O-CB 3.22Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 2.96Å; I35-V128 HydrophobicContact CG2-CG1 4Å
36N64.3Low58.1Low12 Ų1296 Ų966%0.06447%0.471CS..Hα-helixtrans-61.1-39.6177.8-70.3-5.9000111.5T32 R33 V34 L40 V131 C181T32-N36 WeakPolarHBondContact O-CB 3.34Å; T32-N36 PolarHBondContact O-N 3.5Å; T32-N36 PolarHBondContact O-OD1 3.01Å; R33-N36 PolarHBondContact O-N 2.73Å; V34-N36 PolarHBondContact O-N 3.44Å; N36-L40 HydrophobicContact CB-CD1 4.35Å; N36-L40 WeakPolarHBondContact O-CB 3.42Å; N36-L40 WeakPolarHBondContact O-CG 3.3Å; N36-L40 PolarHBondContact O-N 2.89Å; N36-V131 WeakPolarHBondContact OD1-CG2 3.25Å; N36-C181 PolarHBondContact ND2-SG 2.92Å; N36-C181 VanDerWaalsContact ND2-SG 3.4Å
37R69.1Low57.7Low197 Ų19795.9 Ų95.974%0.74347%0.47SS*.Hα-helixtrans-66.8-44177.7-170-180-168.11793.1112.4R33 V34 I35 G41R33-R37 VanDerWaalsContact O-CB 3.31Å; R33-R37 WeakPolarHBondContact O-CB 3.19Å; R33-R37 PolarHBondContact O-N 3.4Å; V34-R37 PolarHBondContact O-N 3.1Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 3.26Å; R37-G41 PolarHBondContact O-N 2.93Å
38V71.3Confident57Low113 Ų11396.1 Ų96.169%0.68547%0.471SS*.Hα-helixtrans-66.7-40.8177.6171.70000110.6V34 I35V34-V38 HydrophobicContact CG1-CG2 4.29Å; V34-V38 WeakPolarHBondContact O-CB 3.29Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.43Å; V34-V38 PolarHBondContact O-N 2.84Å; I35-V38 PolarHBondContact O-N 2.83Å
39L71.6Confident56.4Low65 Ų6596.4 Ų96.434%0.3448%0.484SS..Hα-helixtrans-76.9-33.7180-67.5178000113I35 V131 R135I35-L39 HydrophobicContact CG2-CD1 3.48Å; I35-L39 VanDerWaalsContact CG2-CD1 3.48Å; I35-L39 HydrophobicContact CG2-CG 4.13Å; I35-L39 VanDerWaalsContact O-CB 3.25Å; I35-L39 WeakPolarHBondContact O-CB 3.22Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 2.96Å; L39-V131 HydrophobicContact CB-CG1 3.77Å; L39-V131 HydrophobicContact CB-CG2 4.26Å; L39-V131 HydrophobicContact CD1-CG1 4.15Å; L39-V131 HydrophobicContact CD1-CG2 4.03Å; L39-R135 PolarHBondContact O-NE 2.8Å; L39-R135 PolarHBondContact O-NH2 3.04Å
40L64.6Low55.1Low26 Ų2692.3 Ų92.314%0.13649%0.487CS..Hα-helixtrans-88.9-20.5-178.6-64.7170.2000113.1N36 F44 V131 A134 R135 C181N36-L40 HydrophobicContact CB-CD1 4.35Å; N36-L40 WeakPolarHBondContact O-CB 3.42Å; N36-L40 WeakPolarHBondContact O-CG 3.3Å; N36-L40 PolarHBondContact O-N 2.89Å; L40-F44 HydrophobicContact CB-CB 4.41Å; L40-F44 HydrophobicContact CD2-CD2 4.44Å; L40-F44 WeakPolarHBondContact O-CB 3.38Å; L40-V131 HydrophobicContact CD2-CG1 4.04Å; L40-V131 HydrophobicContact CG-CG1 4.47Å; L40-A134 HydrophobicContact CD2-CB 4.11Å; L40-R135 HydrophobicContact CD2-CG 4.15Å; L40-C181 HydrophobicContact CD1-CB 3.95Å
41G49.7Very low54.1Low41 Ų4190.7 Ų90.742%0.42349%0.487SS..THydrogen-bonded Turntrans57.9172.9175.400000115R37 Q43R37-G41 PolarHBondContact O-N 2.93Å; G41-Q43 PolarHBondContact O-N 2.87Å
42E47.3Very low53Low160 Ų16093.7 Ų93.775%0.74850%0.498SS*.THydrogen-bonded Turntrans-65.7-22.2171.3-73.2-96.6132.600112.1F44 K45E42-F44 VanDerWaalsContact C-N 3.28Å; E42-F44 PolarHBondContact O-N 3.4Å; E42-K45 PolarHBondContact O-N 2.91Å
43Q44.1Very low52.1Low157 Ų15796.9 Ų96.973%0.73453%0.527SS*.Hα-helixtrans-61.1-30.2-179.7-79177.6-18.400113.7G41 K45 A46 T47G41-Q43 PolarHBondContact O-N 2.87Å; Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 3.23Å; Q43-A46 PolarHBondContact O-N 3.32Å; Q43-A46 VanDerWaalsContact O-N 3.08Å; Q43-T47 PolarHBondContact O-N 2.93Å; Q43-T47 PolarHBondContact O-OG1 2.8Å; Q43-T47 VanDerWaalsContact O-OG1 3.11Å
44F47Very low51Low51 Ų5197.6 Ų97.622%0.22454%0.537CS..Hα-helixtrans-62.3-32.3-179.1-170.9-103.6000113.3L40 E42 A134L40-F44 HydrophobicContact CB-CB 4.41Å; L40-F44 HydrophobicContact CD2-CD2 4.44Å; L40-F44 WeakPolarHBondContact O-CB 3.38Å; E42-F44 VanDerWaalsContact C-N 3.28Å; E42-F44 PolarHBondContact O-N 3.4Å; F44-A134 HydrophobicContact CE2-CB 3.85Å; F44-A134 HydrophobicContact CZ-CB 3.93Å
45K40.4Very low49.7Very low165 Ų16599.4 Ų99.472%0.71754%0.543SS*.Hα-helixtrans-72.7-36.6173.7-80.8-176.3177.8178.80112.3E42 Q43E42-K45 PolarHBondContact O-N 2.91Å; Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 3.23Å
46A38.2Very low48.4Very low63 Ų63105.6 Ų105.652%0.52157%0.57SS.*Hα-helixtrans-74.2-36.5-176.500000112.5Q43 M48 V49 G50Q43-A46 PolarHBondContact O-N 3.32Å; Q43-A46 VanDerWaalsContact O-N 3.08Å; A46-M48 PolarHBondContact O-N 3.32Å; A46-V49 PolarHBondContact O-N 3.49Å; A46-G50 PolarHBondContact O-N 2.91Å
47T45Very low47.3Very low73 Ų73108.7 Ų108.745%0.44859%0.59SS.*Hα-helixtrans-64.3-30176.8-510000112.5Q43 V49 A51Q43-T47 PolarHBondContact O-N 2.93Å; Q43-T47 PolarHBondContact O-OG1 2.8Å; Q43-T47 VanDerWaalsContact O-OG1 3.11Å; T47-V49 PolarHBondContact O-N 2.97Å; T47-A51 WeakPolarHBondContact O-CB 3.1Å; T47-A51 PolarHBondContact O-N 3.3Å
48M44.3Very low46.4Very low124 Ų124109.5 Ų109.561%0.61160%0.602SS**Hα-helixtrans-69-21.4173.9-69.6-68.2-137.600113.3A46A46-M48 PolarHBondContact O-N 3.32Å
49V42.3Very low45.9Very low109 Ų109105.3 Ų105.366%0.66158%0.582SS**Hα-helixtrans-97.3-30.5178.8-178.10000111.3A46 T47A46-V49 PolarHBondContact O-N 3.49Å; T47-V49 PolarHBondContact O-N 2.97Å
50G31.9Very low46.5Very low57 Ų57105.7 Ų105.759%0.58858%0.579SS**Hα-helixtrans-82.2-11.9-178.700000115.8A46 E52A46-G50 PolarHBondContact O-N 2.91Å; G50-E52 VanDerWaalsContact C-N 3.28Å; G50-E52 PolarHBondContact O-N 3.11Å
51A42.2Very low47.9Very low60 Ų60108 Ų10850%0.49659%0.586SS.*G310 helixtrans-81.30.7-175.700000114.7T47 A53T47-A51 WeakPolarHBondContact O-CB 3.1Å; T47-A51 PolarHBondContact O-N 3.3Å; A51-A53 PolarHBondContact O-N 2.94Å
52E41.8Very low50.1Low172 Ų172107.5 Ų107.580%0.80457%0.572SS**G310 helixtrans-74.6-11178-69.3-172.9157.100113.4G50G50-E52 VanDerWaalsContact C-N 3.28Å; G50-E52 PolarHBondContact O-N 3.11Å
53A37.4Very low52.5Low89 Ų8999.9 Ų99.974%0.73654%0.536SS*.G310 helixtrans-98.8-4.8-165.500000117.4A51A51-A53 PolarHBondContact O-N 2.94Å
54E37.7Very low55.1Low183 Ų18392.4 Ų92.486%0.85550%0.501SS*.  trans-14471.7173.3-76.3-172.9166.600111.7
55I43.1Very low57.6Low113 Ų11390 Ų9058%0.57949%0.49SS*.  trans-109.879.2170.2-53.8179.9000108.6
56H42.2Very low60.4Low187 Ų18782.1 Ų82.187%0.86646%0.456SS*.  trans-128.680.6159.3-85.6-95.8000109.9
57T41.9Very low63.3Low77 Ų7779.1 Ų79.147%0.47243%0.431SS..  trans-163.8116.3137.81.30000108.3G59T57-G59 PolarHBondContact O-N 3.02Å
58E50.9Low65.8Low214 Ų21475.6 Ų75.6100%141%0.41SS*.  trans-71.141.2-170.3-63.3174.8137.100115.1
59G61.2Low68.3Low25 Ų2570.2 Ų70.226%0.25838%0.384SS..  trans-101.4132178.300000112.7T57 R61T57-G59 PolarHBondContact O-N 3.02Å; G59-R61 PolarHBondContact O-N 3.2Å
60R83.7Confident70.8Confident74 Ų7467.7 Ų67.728%0.27937%0.369SS..  trans-56.6130.4170.1-68.817277-149.40.8109A115 R116 Q236 D238R60-A115 HydrophobicContact CB-CB 4.27Å; R60-A115 CarbonylContact O-C 3.38Å; R60-A115 WeakPolarHBondContact O-CA 3.24Å; R60-R116 PolarHBondContact O-N 3.32Å; R60-Q236 VanDerWaalsContact CZ-O 3.29Å; R60-Q236 PolarHBondContact NH1-O 3.12Å; R60-Q236 PolarHBondContact NH2-O 2.91Å; R60-D238 IonicContact CZ-OD1 3.86Å; R60-D238 IonicContact CZ-OD2 2.86Å; R60-D238 VanDerWaalsContact CZ-OD2 3.32Å; R60-D238 IonicContact NE-OD1 3.01Å; R60-D238 IonicContact NE-OD2 3.84Å; R60-D238 PolarHBondContact NE-OD2 3.49Å; R60-D238 IonicContact NH2-OD1 2.98Å; R60-D238 PolarHBondContact NH2-OD1 3.48Å; R60-D238 IonicContact NH2-OD2 3.81Å; R60-D238 PolarHBondContact NH2-OD2 3.39Å
61R93.1Very high73.8Confident75 Ų7567.7 Ų67.728%0.28337%0.37SS..EExtended strand (participates in β ladder)trans-108.4129.3179.9-56.1-177.5-169.7167.23.3109.7G59 R116 Y140 V142 D146G59-R61 PolarHBondContact O-N 3.2Å; R61-R116 CarbonylContact C-O 3.18Å; R61-R116 WeakPolarHBondContact CA-O 3.16Å; R61-Y140 WeakPolarHBondContact CD-O 3.43Å; R61-Y140 PolarHBondContact NH1-O 3.19Å; R61-V142 HydrophobicContact CB-CG2 4.04Å; R61-D146 WeakPolarHBondContact O-CB 3.43Å
62K96.6Very high76.4Confident29 Ų2967.7 Ų67.713%0.12636%0.36CS..EExtended strand (participates in β ladder)trans-124.9144.8176.2-63-66.1-173.3-173.70110.1R116 V117 V118 D146 L234K62-R116 PolarHBondContact N-O 2.65Å; K62-V117 HydrophobicContact CB-CG2 4.44Å; K62-V117 WeakPolarHBondContact O-CA 3.32Å; K62-V118 PolarHBondContact O-N 2.86Å; K62-D146 WeakPolarHBondContact CA-O 3.33Å; K62-D146 HydrophobicContact CD-CB 3.97Å; K62-D146 IonicContact NZ-OD1 3.57Å; K62-D146 PolarHBondContact NZ-OD1 3.05Å; K62-L234 HydrophobicContact CB-CD2 3.78Å; K62-L234 HydrophobicContact CG-CD2 3.92Å
63L98.4Very high78.9Confident0 Ų064.8 Ų64.80%035%0.347CS..EExtended strand (participates in β ladder)trans-118.5113.7172.117463000108.6V65 V118 L120 V133 A136 A137 V142 D146 I147 L148L63-V65 HydrophobicContact CD1-CG2 4.2Å; L63-V65 HydrophobicContact CD2-CG2 4.07Å; L63-V65 HydrophobicContact CG-CG2 3.72Å; L63-V118 CarbonylContact C-O 3.47Å; L63-V118 WeakPolarHBondContact CA-O 3.31Å; L63-V118 HydrophobicContact CD1-CB 3.7Å; L63-V118 HydrophobicContact CD1-CG1 3.67Å; L63-L120 HydrophobicContact CD1-CB 3.78Å; L63-L120 HydrophobicContact CD1-CD2 4.32Å; L63-V133 HydrophobicContact CD2-CG1 4.35Å; L63-A136 HydrophobicContact CD1-CB 4.36Å; L63-A136 HydrophobicContact CD2-CB 4.03Å; L63-A137 HydrophobicContact CD2-CB 4.49Å; L63-V142 HydrophobicContact CB-CB 4.27Å; L63-V142 HydrophobicContact CB-CG1 3.82Å; L63-V142 HydrophobicContact CB-CG2 4.26Å; L63-D146 PolarHBondContact N-O 2.66Å; L63-I147 HydrophobicContact CB-CG1 4.21Å; L63-I147 HydrophobicContact CB-CG2 4.44Å; L63-I147 HydrophobicContact CD2-CD1 4.21Å; L63-I147 HydrophobicContact CD2-CG1 4.12Å; L63-I147 HydrophobicContact CD2-CG2 4.11Å; L63-I147 HydrophobicContact CG-CG2 4.25Å; L63-I147 CarbonylContact O-C 3.49Å; L63-I147 VanDerWaalsContact O-CA 3.32Å; L63-I147 WeakPolarHBondContact O-CA 3.47Å; L63-L148 PolarHBondContact O-N 3.38Å
64V98.7Very high81.6Confident0 Ų061.7 Ų61.70%032%0.324CS..EExtended strand (participates in β ladder)trans-102.5120.4175.3-169.40000108.5L84 L87 V117 V118 L119 L120 L148 V150 L230 L234V64-L84 HydrophobicContact CG1-CD1 4Å; V64-L87 HydrophobicContact CG1-CD2 4.35Å; V64-V117 HydrophobicContact CG2-CG1 4.02Å; V64-V118 PolarHBondContact N-O 3.29Å; V64-L119 HydrophobicContact CB-CD2 3.84Å; V64-L119 HydrophobicContact CG2-CD2 4.21Å; V64-L119 CarbonylContact O-C 3.44Å; V64-L119 WeakPolarHBondContact O-CA 3.49Å; V64-L120 PolarHBondContact O-N 3.46Å; V64-L148 CarbonylContact C-O 3.58Å; V64-L148 WeakPolarHBondContact CA-O 3.47Å; V64-L148 HydrophobicContact CG2-CB 4.49Å; V64-V150 HydrophobicContact CG1-CG2 4.21Å; V64-L230 HydrophobicContact CG1-CD1 4.39Å; V64-L230 HydrophobicContact CG1-CD2 4.33Å; V64-L234 HydrophobicContact CG2-CD1 4.32Å; V64-L234 HydrophobicContact CG2-CD2 3.88Å
65V98.9Very high84.5Confident0 Ų053.3 Ų53.30%029%0.285CS..EExtended strand (participates in β ladder)trans-116.5125.1-173-169.90000110.7L63 L67 L120 P122 V133 I147 L148 L149 V150L63-V65 HydrophobicContact CD1-CG2 4.2Å; L63-V65 HydrophobicContact CD2-CG2 4.07Å; L63-V65 HydrophobicContact CG-CG2 3.72Å; V65-L67 HydrophobicContact CG1-CD2 3.82Å; V65-L120 WeakPolarHBondContact CA-O 3.32Å; V65-L120 HydrophobicContact CG1-CB 4.44Å; V65-L120 HydrophobicContact CG1-CD2 4.14Å; V65-L120 HydrophobicContact CG1-CG 4.3Å; V65-L120 HydrophobicContact CG2-CB 4.33Å; V65-L120 HydrophobicContact CG2-CD2 4.15Å; V65-P122 HydrophobicContact CG1-CG 3.97Å; V65-V133 HydrophobicContact CB-CG2 4.38Å; V65-V133 HydrophobicContact CG1-CG2 3.64Å; V65-V133 HydrophobicContact CG2-CG1 4.22Å; V65-V133 HydrophobicContact CG2-CG2 4.06Å; V65-I147 HydrophobicContact CG2-CG2 3.96Å; V65-L148 PolarHBondContact N-O 3.37Å; V65-L149 HydrophobicContact CB-CD2 3.79Å; V65-L149 HydrophobicContact CG1-CD2 4.41Å; V65-L149 HydrophobicContact CG2-CD2 3.88Å; V65-V150 PolarHBondContact O-N 3.43Å
66G98.8Very high87.1Confident0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-94.5102.2171.700000109.3G80 M81 L84 L120 P122G66-G80 VanDerWaalsContact CA-C 3.43Å; G66-G80 WeakPolarHBondContact CA-O 3.37Å; G66-M81 VanDerWaalsContact O-CG 3.3Å; G66-M81 WeakPolarHBondContact O-CG 3.43Å; G66-L84 VanDerWaalsContact CA-CD1 3.49Å; G66-L120 PolarHBondContact N-O 2.63Å; G66-P122 WeakPolarHBondContact O-CD 3.49Å
67L98.8Very high89.8Confident0 Ų040.5 Ų40.50%022%0.222CC..  trans-68.6142.1177-58-171.6000109.9V65 M81 M126 N129 V150 H151 V175V65-L67 HydrophobicContact CG1-CD2 3.82Å; L67-M81 PolarHBondContact O-N 3.46Å; L67-M126 HydrophobicContact CB-CE 4.24Å; L67-M126 HydrophobicContact CB-SD 4.07Å; L67-N129 HydrophobicContact CD2-CB 4.09Å; L67-V150 PolarHBondContact N-O 2.86Å; L67-H151 HydrophobicContact CB-CB 4.22Å; L67-H151 HydrophobicContact CD1-CB 3.94Å; L67-H151 HydrophobicContact CG-CB 4.34Å; L67-V175 HydrophobicContact CD1-CG2 3.89Å
68G98.3Very high92.5Very high0 Ų037 Ų370%020%0.201CC..  trans176.6-178-178.100000112.7M81 M126 N129G68-M81 VanDerWaalsContact C-CE 3.41Å; G68-M126 VanDerWaalsContact CA-CE 3.41Å; G68-N129 PolarHBondContact N-OD1 3.45Å; G68-N129 PolarHBondContact O-ND2 3.27Å; G68-N129 PolarHBondContact O-OD1 2.82Å
69N97.6Very high94.8Very high10 Ų1026.8 Ų26.85%0.05315%0.153CC..  trans-114.3131.8171.4-68.4-71.8000109.9M72 S78 M126N69-M72 HydrophobicContact CB-CB 4.17Å; N69-M72 HydrophobicContact CB-CE 3.22Å; N69-M72 HydrophobicContact CB-CG 4.37Å; N69-M72 WeakPolarHBondContact ND2-CE 3.43Å; N69-M72 PolarHBondContact O-N 3.4Å; N69-S78 PolarHBondContact N-OG 2.97Å; N69-S78 PolarHBondContact O-OG 3.41Å; N69-M126 WeakPolarHBondContact OD1-CB 3.38Å; N69-M126 PolarHBondContact OD1-N 2.88Å
70P94.1Very high96.6Very high56 Ų5625.6 Ų25.636%0.36414%0.141SC..THydrogen-bonded Turntrans-58.4138.3174.6-24.635.5000112.1M72 R123 L124P70-M72 PolarHBondContact O-N 3.36Å; P70-R123 VanDerWaalsContact CG-C 3.43Å; P70-R123 HydrophobicContact CG-CB 4.45Å; P70-L124 VanDerWaalsContact CD-O 3.22Å; P70-L124 WeakPolarHBondContact CD-O 3.31Å
71G95.1Very high97.3Very high58 Ų5823 Ų2360%0.59813%0.132SC*.THydrogen-bonded Turntrans73.28.3179.600000114.5E73G71-E73 WeakPolarHBondContact CA-OE1 3.35Å; G71-E73 VanDerWaalsContact CA-OE2 3.26Å; G71-E73 WeakPolarHBondContact CA-OE2 3.44Å; G71-E73 PolarHBondContact N-OE1 3.14Å; G71-E73 VanDerWaalsContact N-OE1 3.1Å
72M96.5Very high97.5Very high59 Ų5921.2 Ų21.229%0.29113%0.133SC..  trans-119.740.6174.7-65.6-153.1-61.800111.6N69 P70 T75 S78 L208N69-M72 HydrophobicContact CB-CB 4.17Å; N69-M72 HydrophobicContact CB-CE 3.22Å; N69-M72 HydrophobicContact CB-CG 4.37Å; N69-M72 WeakPolarHBondContact ND2-CE 3.43Å; N69-M72 PolarHBondContact O-N 3.4Å; P70-M72 PolarHBondContact O-N 3.36Å; M72-T75 HydrophobicContact CB-CG2 3.94Å; M72-T75 WeakPolarHBondContact O-CB 3.32Å; M72-T75 WeakPolarHBondContact O-CG2 3.36Å; M72-T75 PolarHBondContact O-N 2.88Å; M72-T75 PolarHBondContact O-OG1 3.26Å; M72-S78 VanDerWaalsContact O-CB 3.29Å; M72-S78 WeakPolarHBondContact O-CB 3.11Å; M72-S78 PolarHBondContact O-OG 2.95Å; M72-L208 HydrophobicContact CE-CD2 3.45Å; M72-L208 VanDerWaalsContact CE-CD2 3.45Å; M72-L208 HydrophobicContact SD-CD2 4.19Å
73E94.3Very high97.6Very high112 Ų11219.8 Ų19.852%0.52313%0.127SC..THydrogen-bonded Turntrans-58.3136.9174.9-60.173.9-15900110.1G71 T75 R210G71-E73 WeakPolarHBondContact CA-OE1 3.35Å; G71-E73 VanDerWaalsContact CA-OE2 3.26Å; G71-E73 WeakPolarHBondContact CA-OE2 3.44Å; G71-E73 PolarHBondContact N-OE1 3.14Å; G71-E73 VanDerWaalsContact N-OE1 3.1Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.4Å; E73-R210 VanDerWaalsContact O-CZ 3.25Å; E73-R210 PolarHBondContact O-NH1 3.18Å; E73-R210 PolarHBondContact O-NH2 2.94Å
74G94.1Very high97.6Very high24 Ų2419.8 Ų19.825%0.24713%0.127CC..THydrogen-bonded Turntrans82-1.1-178.700000115.3R210 F211G74-R210 VanDerWaalsContact O-CA 3.31Å; G74-R210 WeakPolarHBondContact O-CA 3.46Å; G74-F211 WeakPolarHBondContact O-CD2 3.46Å; G74-F211 PolarHBondContact O-N 3.21Å
75T98.4Very high97.6Very high6 Ų620.6 Ų20.64%0.03714%0.136CC..BIsolated β-bridgetrans-76.8153167.365.50000111.5M72 E73 H77 S78 V79 L208 S209 R210M72-T75 HydrophobicContact CB-CG2 3.94Å; M72-T75 WeakPolarHBondContact O-CB 3.32Å; M72-T75 WeakPolarHBondContact O-CG2 3.36Å; M72-T75 PolarHBondContact O-N 2.88Å; M72-T75 PolarHBondContact O-OG1 3.26Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.4Å; T75-H77 PolarHBondContact O-N 3.38Å; T75-S78 PolarHBondContact O-N 3.5Å; T75-S78 PolarHBondContact OG1-N 3.02Å; T75-S78 PolarHBondContact OG1-OG 3.16Å; T75-V79 PolarHBondContact O-N 3.25Å; T75-L208 VanDerWaalsContact CG2-O 3.22Å; T75-L208 WeakPolarHBondContact CG2-O 3.49Å; T75-S209 WeakPolarHBondContact CA-O 3.4Å; T75-R210 HydrophobicContact CG2-CG 4.23Å
76R98.6Very high97.6Very high14 Ų1421.9 Ų21.95%0.05315%0.146CC..G310 helixtrans-55.4-40.4176.1-72.1173.7-176.671.3-6.4111.7S78 V79 D152 I194 H206 V207 S209 R210 F211 E215R76-S78 PolarHBondContact O-N 2.86Å; R76-V79 WeakPolarHBondContact O-CB 3.28Å; R76-V79 WeakPolarHBondContact O-CG1 3.49Å; R76-V79 PolarHBondContact O-N 3.41Å; R76-D152 WeakPolarHBondContact O-CB 3.15Å; R76-I194 HydrophobicContact CB-CB 4.35Å; R76-I194 HydrophobicContact CB-CD1 3.93Å; R76-I194 HydrophobicContact CB-CG2 4.17Å; R76-I194 HydrophobicContact CG-CB 4.33Å; R76-I194 HydrophobicContact CG-CG2 4.37Å; R76-H206 WeakPolarHBondContact CD-O 3.41Å; R76-H206 PolarHBondContact NE-CE1 3.42Å; R76-H206 VanDerWaalsContact NE-CE1 3.29Å; R76-V207 WeakPolarHBondContact CB-O 3.5Å; R76-V207 PolarHBondContact N-O 3.46Å; R76-S209 PolarHBondContact N-O 2.93Å; R76-S209 PolarHBondContact NH1-O 2.88Å; R76-S209 VanDerWaalsContact NH1-O 3.13Å; R76-S209 PolarHBondContact NH1-OG 3.11Å; R76-R210 VanDerWaalsContact NH1-C 3.33Å; R76-R210 PolarHBondContact NH1-O 3.15Å; R76-F211 HydrophobicContact CB-CE2 4.48Å; R76-F211 HydrophobicContact CB-CZ 4.18Å; R76-F211 HydrophobicContact CG-CD1 3.98Å; R76-F211 HydrophobicContact CG-CD2 4.45Å; R76-F211 HydrophobicContact CG-CE1 3.64Å; R76-F211 HydrophobicContact CG-CE2 4.13Å; R76-F211 HydrophobicContact CG-CG 4.4Å; R76-F211 HydrophobicContact CG-CZ 3.73Å; R76-E215 IonicContact CZ-OE1 3.93Å; R76-E215 IonicContact CZ-OE2 3.8Å; R76-E215 IonicContact NE-OE1 2.7Å; R76-E215 IonicContact NH2-OE1 3.19Å; R76-E215 PolarHBondContact NH2-OE1 2.92Å; R76-E215 IonicContact NH2-OE2 3.85Å; R76-E215 PolarHBondContact NH2-OE2 3.28Å
77H98.1Very high97.6Very high17 Ų1721.9 Ų21.98%0.07915%0.146CC..G310 helixtrans-72.7-13.8-179.2-14123.1000114.1T75 M126 D152 H172 V207T75-H77 PolarHBondContact O-N 3.38Å; H77-M126 HydrophobicContact CB-CE 4.41Å; H77-M126 WeakPolarHBondContact NE2-CG 3.47Å; H77-M126 WeakPolarHBondContact O-CE 3.47Å; H77-D152 IonicContact CE1-OD1 2.66Å; H77-D152 IonicContact CE1-OD2 3.44Å; H77-D152 IonicContact CG-OD1 3.78Å; H77-D152 IonicContact ND1-OD1 2.78Å; H77-D152 PolarHBondContact ND1-OD1 3.01Å; H77-D152 IonicContact ND1-OD2 3.62Å; H77-D152 PolarHBondContact ND1-OD2 3.43Å; H77-H172 AromaticContact CE1-CD2 3.94Å; H77-H172 AromaticContact CE1-CE1 3.88Å; H77-H172 AromaticContact CE1-NE2 3.52Å; H77-H172 AromaticContact ND1-NE2 3.8Å; H77-V207 HydrophobicContact CB-CB 3.93Å; H77-V207 HydrophobicContact CB-CG2 4.24Å; H77-V207 WeakPolarHBondContact CB-O 3.28Å; H77-V207 PolarHBondContact N-O 3.44Å
78S98.4Very high97.6Very high3 Ų321.9 Ų21.92%0.02115%0.146CC..G310 helixtrans-105.314.3175.6-64.70000112.4N69 M72 T75 R76 G80 M81 A82N69-S78 PolarHBondContact N-OG 2.97Å; N69-S78 PolarHBondContact O-OG 3.41Å; M72-S78 VanDerWaalsContact O-CB 3.29Å; M72-S78 WeakPolarHBondContact O-CB 3.11Å; M72-S78 PolarHBondContact O-OG 2.95Å; T75-S78 PolarHBondContact O-N 3.5Å; T75-S78 PolarHBondContact OG1-N 3.02Å; T75-S78 PolarHBondContact OG1-OG 3.16Å; R76-S78 PolarHBondContact O-N 2.86Å; S78-G80 PolarHBondContact O-N 2.88Å; S78-M81 WeakPolarHBondContact O-CB 3.16Å; S78-M81 PolarHBondContact O-N 2.95Å; S78-M81 VanDerWaalsContact O-N 3.08Å; S78-A82 PolarHBondContact O-N 3.4Å
79V98.8Very high97.6Very high1 Ų124.8 Ų24.81%0.00617%0.17CC..Hα-helixtrans-60.2-29.717974.10000112.4T75 R76 M81 A82 V83 D152 V192 F211 L219T75-V79 PolarHBondContact O-N 3.25Å; R76-V79 WeakPolarHBondContact O-CB 3.28Å; R76-V79 WeakPolarHBondContact O-CG1 3.49Å; R76-V79 PolarHBondContact O-N 3.41Å; V79-M81 PolarHBondContact O-N 3.46Å; V79-A82 WeakPolarHBondContact O-CB 3.44Å; V79-A82 PolarHBondContact O-N 3.21Å; V79-V83 WeakPolarHBondContact O-CG2 3.4Å; V79-V83 PolarHBondContact O-N 2.95Å; V79-D152 HydrophobicContact CG1-CB 3.76Å; V79-V192 HydrophobicContact CG1-CB 3.99Å; V79-V192 HydrophobicContact CG1-CG1 4.22Å; V79-V192 HydrophobicContact CG2-CB 4.4Å; V79-V192 HydrophobicContact CG2-CG1 3.82Å; V79-F211 HydrophobicContact CB-CE2 4.29Å; V79-F211 HydrophobicContact CB-CZ 4.26Å; V79-F211 HydrophobicContact CG2-CE2 4.22Å; V79-F211 HydrophobicContact CG2-CZ 4.08Å; V79-L219 HydrophobicContact CG2-CD1 3.87Å
80G98.7Very high97.6Very high0 Ų030.6 Ų30.60%019%0.191CC..Hα-helixtrans-60.6-42.6174.200000112.7G66 S78 A82 V83 L84 V150G66-G80 VanDerWaalsContact CA-C 3.43Å; G66-G80 WeakPolarHBondContact CA-O 3.37Å; S78-G80 PolarHBondContact O-N 2.88Å; G80-A82 VanDerWaalsContact C-N 3.33Å; G80-A82 PolarHBondContact O-N 3.44Å; G80-V83 PolarHBondContact O-N 2.87Å; G80-L84 PolarHBondContact O-N 3.32Å; G80-V150 WeakPolarHBondContact CA-O 3.39Å
81M98.6Very high97.7Very high19 Ų1930.2 Ų30.29%0.09419%0.186CC..Hα-helixtrans-66-36.1175.4-66.5178.216900112.3G66 L67 G68 S78 V79 L84 G85 R121 P122G66-M81 VanDerWaalsContact O-CG 3.3Å; G66-M81 WeakPolarHBondContact O-CG 3.43Å; L67-M81 PolarHBondContact O-N 3.46Å; G68-M81 VanDerWaalsContact C-CE 3.41Å; S78-M81 WeakPolarHBondContact O-CB 3.16Å; S78-M81 PolarHBondContact O-N 2.95Å; S78-M81 VanDerWaalsContact O-N 3.08Å; V79-M81 PolarHBondContact O-N 3.46Å; M81-L84 PolarHBondContact O-N 3.42Å; M81-G85 PolarHBondContact O-N 2.7Å; M81-R121 HydrophobicContact CB-CG 4.47Å; M81-R121 HydrophobicContact CE-CB 4.5Å; M81-R121 HydrophobicContact CG-CG 4.21Å; M81-R121 PolarHBondContact O-NE 2.76Å; M81-R121 PolarHBondContact O-NH2 3.48Å; M81-P122 WeakPolarHBondContact CE-O 3.45Å
82A98.6Very high97.9Very high37 Ų3729.9 Ų29.931%0.30618%0.183SC..Hα-helixtrans-64.7-45.9175.500000111.5S78 V79 G80 L84 G85 A86 L223S78-A82 PolarHBondContact O-N 3.4Å; V79-A82 WeakPolarHBondContact O-CB 3.44Å; V79-A82 PolarHBondContact O-N 3.21Å; G80-A82 VanDerWaalsContact C-N 3.33Å; G80-A82 PolarHBondContact O-N 3.44Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.04Å; A82-G85 WeakPolarHBondContact O-CA 3.43Å; A82-G85 PolarHBondContact O-N 2.86Å; A82-A86 PolarHBondContact O-N 3Å; A82-L223 HydrophobicContact CB-CD2 4.18Å
83V98.8Very high97.9Very high0 Ų027.2 Ų27.20%017%0.17CC..Hα-helixtrans-58.6-44173.7172.10000111.4V79 G80 G85 A86 L87 V150 L190 V192 L223 L230V79-V83 WeakPolarHBondContact O-CG2 3.4Å; V79-V83 PolarHBondContact O-N 2.95Å; G80-V83 PolarHBondContact O-N 2.87Å; V83-G85 PolarHBondContact O-N 3.41Å; V83-A86 PolarHBondContact O-N 2.95Å; V83-L87 PolarHBondContact O-N 2.89Å; V83-V150 HydrophobicContact CB-CG1 3.86Å; V83-V150 HydrophobicContact CG1-CG1 3.86Å; V83-V150 HydrophobicContact CG2-CG1 4.11Å; V83-L190 HydrophobicContact CG1-CD2 4.28Å; V83-V192 HydrophobicContact CG2-CG2 4.1Å; V83-L223 HydrophobicContact CB-CD2 4.38Å; V83-L223 HydrophobicContact CG2-CD2 3.71Å; V83-L230 HydrophobicContact CG1-CD1 3.58Å
84L98.3Very high98.1Very high0 Ų024 Ų240%016%0.163CC..Hα-helixtrans-63-31.5175.2-101.567.1000113V64 G66 G80 M81 A82 L87 A88 W97 L119 L120 R121 V150V64-L84 HydrophobicContact CG1-CD1 4Å; G66-L84 VanDerWaalsContact CA-CD1 3.49Å; G80-L84 PolarHBondContact O-N 3.32Å; M81-L84 PolarHBondContact O-N 3.42Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.04Å; L84-L87 PolarHBondContact O-N 3.34Å; L84-A88 WeakPolarHBondContact O-CB 3.38Å; L84-A88 PolarHBondContact O-N 3.31Å; L84-W97 HydrophobicContact CB-CZ2 4.46Å; L84-W97 HydrophobicContact CD2-CH2 4.17Å; L84-L119 HydrophobicContact CD2-CB 4.48Å; L84-L120 WeakPolarHBondContact CD2-O 3.29Å; L84-R121 HydrophobicContact CD2-CG 4.14Å; L84-V150 HydrophobicContact CD1-CB 4.18Å; L84-V150 HydrophobicContact CD1-CG2 3.74Å
85G98.5Very high98.3Very high17 Ų1729.4 Ų29.418%0.17519%0.186CC..Hα-helixtrans-65.4-47.417300000112.5M81 A82 V83 L87 A88 A89 R121M81-G85 PolarHBondContact O-N 2.7Å; A82-G85 WeakPolarHBondContact O-CA 3.43Å; A82-G85 PolarHBondContact O-N 2.86Å; V83-G85 PolarHBondContact O-N 3.41Å; G85-L87 VanDerWaalsContact C-N 3.29Å; G85-L87 PolarHBondContact O-N 3.21Å; G85-A88 PolarHBondContact O-N 2.76Å; G85-A89 WeakPolarHBondContact O-CB 3.42Å; G85-A89 PolarHBondContact O-N 3.05Å; G85-R121 VanDerWaalsContact N-NH2 3.12Å
86A98.8Very high98.2Very high27 Ų2735.7 Ų35.722%0.22321%0.209CC..Hα-helixtrans-61-39.8175.100000111.6A82 V83 A89 R90 L223 V227A82-A86 PolarHBondContact O-N 3Å; V83-A86 PolarHBondContact O-N 2.95Å; A86-A89 PolarHBondContact O-N 3.31Å; A86-R90 WeakPolarHBondContact O-CB 3.41Å; A86-R90 PolarHBondContact O-N 2.93Å; A86-L223 HydrophobicContact CB-CB 4.12Å; A86-V227 HydrophobicContact CB-CG2 3.62Å
87L98.6Very high98.2Very high0 Ų037.2 Ų37.20%021%0.214CC..Hα-helixtrans-63.5-50.2175.8178.561.4000111.3V64 V83 L84 G85 A89 R90 L91 L119 V227 L230 I231V64-L87 HydrophobicContact CG1-CD2 4.35Å; V83-L87 PolarHBondContact O-N 2.89Å; L84-L87 PolarHBondContact O-N 3.34Å; G85-L87 VanDerWaalsContact C-N 3.29Å; G85-L87 PolarHBondContact O-N 3.21Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 2.89Å; L87-R90 PolarHBondContact O-N 3.13Å; L87-L91 HydrophobicContact CD1-CD1 3.91Å; L87-L91 HydrophobicContact CD1-CG 4.06Å; L87-L91 HydrophobicContact CG-CD1 3.96Å; L87-L91 HydrophobicContact CG-CG 4.45Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 2.84Å; L87-L119 HydrophobicContact CD2-CD2 3.76Å; L87-V227 HydrophobicContact CB-CG2 4.13Å; L87-V227 HydrophobicContact CD1-CG1 4.07Å; L87-L230 HydrophobicContact CD1-CB 4.47Å; L87-L230 HydrophobicContact CD2-CB 4.28Å; L87-L230 HydrophobicContact CD2-CD1 3.91Å; L87-I231 HydrophobicContact CD1-CD1 4.4Å; L87-I231 HydrophobicContact CD1-CG1 3.91Å
88A98.6Very high98.2Very high0 Ų040.8 Ų40.80%023%0.231CC..Hα-helixtrans-59.9-38.3178.400000112L84 G85 L91 G92 V93 A94 W97 I108 L119L84-A88 WeakPolarHBondContact O-CB 3.38Å; L84-A88 PolarHBondContact O-N 3.31Å; G85-A88 PolarHBondContact O-N 2.76Å; A88-L91 PolarHBondContact O-N 2.85Å; A88-G92 PolarHBondContact O-N 2.82Å; A88-V93 HydrophobicContact CB-CG2 4.26Å; A88-V93 WeakPolarHBondContact O-CG2 3.26Å; A88-V93 PolarHBondContact O-N 2.86Å; A88-A94 HydrophobicContact CB-CB 4.23Å; A88-A94 PolarHBondContact O-N 2.89Å; A88-W97 HydrophobicContact CB-CZ2 4.31Å; A88-I108 HydrophobicContact CB-CD1 3.77Å; A88-L119 HydrophobicContact CB-CD1 3.94Å
89A98.4Very high98.2Very high61 Ų6142.8 Ų42.850%0.50425%0.252SS..Hα-helixtrans-65.6-46.3175.200000111.8G85 A86 L87 L91 G92 A94G85-A89 WeakPolarHBondContact O-CB 3.42Å; G85-A89 PolarHBondContact O-N 3.05Å; A86-A89 PolarHBondContact O-N 3.31Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 2.89Å; A89-L91 PolarHBondContact O-N 2.8Å; A89-G92 PolarHBondContact O-N 2.95Å; A89-A94 HydrophobicContact CB-CB 4.31Å
90R97.7Very high98.2Very high131 Ų13143.5 Ų43.549%0.49426%0.256SS..Hα-helixtrans-61.7-33.3177-18063.474.482.81.3112.5A86 L87 G92 V227 D228 I231A86-R90 WeakPolarHBondContact O-CB 3.41Å; A86-R90 PolarHBondContact O-N 2.93Å; L87-R90 PolarHBondContact O-N 3.13Å; R90-G92 VanDerWaalsContact C-N 3.29Å; R90-V227 HydrophobicContact CB-CG1 3.7Å; R90-V227 HydrophobicContact CG-CG1 3.71Å; R90-D228 IonicContact CZ-OD1 3.84Å; R90-D228 IonicContact NH1-OD1 3.59Å; R90-D228 PolarHBondContact NH1-OD1 3.27Å; R90-D228 IonicContact NH2-OD1 2.59Å; R90-I231 HydrophobicContact CG-CD1 3.88Å
91L96.9Very high98.1Very high48 Ų4854.8 Ų54.825%0.25130%0.299SS..THydrogen-bonded Turntrans-81.2-3.6176.7-66.9177.6000113.5L87 A88 A89 V93 T110 V112L87-L91 HydrophobicContact CD1-CD1 3.91Å; L87-L91 HydrophobicContact CD1-CG 4.06Å; L87-L91 HydrophobicContact CG-CD1 3.96Å; L87-L91 HydrophobicContact CG-CG 4.45Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 2.84Å; A88-L91 PolarHBondContact O-N 2.85Å; A89-L91 PolarHBondContact O-N 2.8Å; L91-V93 VanDerWaalsContact C-N 3.32Å; L91-V93 HydrophobicContact CB-CG2 3.83Å; L91-V93 PolarHBondContact O-N 3.37Å; L91-T110 HydrophobicContact CD1-CG2 4.21Å; L91-V112 HydrophobicContact CD1-CG2 4.03Å; L91-V112 HydrophobicContact CD2-CG2 3.99Å
92G97.8Very high98Very high52 Ų5259.2 Ų59.254%0.53632%0.319SS..THydrogen-bonded Turntrans67.730-178.600000113.9A88 A89 R90A88-G92 PolarHBondContact O-N 2.82Å; A89-G92 PolarHBondContact O-N 2.95Å; R90-G92 VanDerWaalsContact C-N 3.29Å
93V98.3Very high98Very high3 Ų357.5 Ų57.52%0.01830%0.304CS..  trans-128.811.1-176-59.20000113.5A88 L91 D95 R96 I108A88-V93 HydrophobicContact CB-CG2 4.26Å; A88-V93 WeakPolarHBondContact O-CG2 3.26Å; A88-V93 PolarHBondContact O-N 2.86Å; L91-V93 VanDerWaalsContact C-N 3.32Å; L91-V93 HydrophobicContact CB-CG2 3.83Å; L91-V93 PolarHBondContact O-N 3.37Å; V93-D95 PolarHBondContact O-N 3.03Å; V93-R96 HydrophobicContact CB-CG 4.25Å; V93-R96 WeakPolarHBondContact O-CB 3.42Å; V93-R96 PolarHBondContact O-N 3.41Å; V93-I108 HydrophobicContact CB-CG2 4.13Å; V93-I108 HydrophobicContact CG2-CD1 4.24Å; V93-I108 HydrophobicContact CG2-CG2 3.86Å; V93-I108 WeakPolarHBondContact O-CD1 3.39Å
94A97.4Very high97.9Very high45 Ų4558.9 Ų58.937%0.37231%0.314SS..G310 helixtrans-62.2-26.7-17600000114A88 A89 R96A88-A94 HydrophobicContact CB-CB 4.23Å; A88-A94 PolarHBondContact O-N 2.89Å; A89-A94 HydrophobicContact CB-CB 4.31Å; A94-R96 PolarHBondContact O-N 2.9Å
95D97.6Very high97.9Very high137 Ų13758.9 Ų58.973%0.73332%0.315SS*.G310 helixtrans-74.6-10.7175.262.5-32.1000113.4V93V93-D95 PolarHBondContact O-N 3.03Å
96R97.9Very high97.9Very high137 Ų13761 Ų6152%0.51732%0.32SS..G310 helixtrans-92.21.7-175.5-49.3-174-165.31783.1114.2V93 A94 H98 I108V93-R96 HydrophobicContact CB-CG 4.25Å; V93-R96 WeakPolarHBondContact O-CB 3.42Å; V93-R96 PolarHBondContact O-N 3.41Å; A94-R96 PolarHBondContact O-N 2.9Å; R96-H98 PolarHBondContact O-N 3.47Å; R96-I108 HydrophobicContact CB-CG1 4.28Å; R96-I108 HydrophobicContact CB-CG2 4.48Å
97W98Very high97.9Very high46 Ų4659.8 Ų59.817%0.17431%0.309CS..  trans-57.1123.5174.3-78.6112.4000109.5L84 A88 E106 I108 L119 R121L84-W97 HydrophobicContact CB-CZ2 4.46Å; L84-W97 HydrophobicContact CD2-CH2 4.17Å; A88-W97 HydrophobicContact CB-CZ2 4.31Å; W97-E106 HydrophobicContact CE3-CB 3.66Å; W97-E106 HydrophobicContact CZ3-CB 4.19Å; W97-E106 VanDerWaalsContact CZ3-O 3.29Å; W97-E106 WeakPolarHBondContact CZ3-O 3.26Å; W97-I108 HydrophobicContact CB-CD1 4.5Å; W97-I108 HydrophobicContact CB-CG1 4.43Å; W97-I108 HydrophobicContact CD2-CD1 3.46Å; W97-I108 VanDerWaalsContact CD2-CD1 3.46Å; W97-I108 HydrophobicContact CD2-CG1 3.67Å; W97-I108 HydrophobicContact CE3-CD1 4.06Å; W97-I108 HydrophobicContact CE3-CG1 3.8Å; W97-I108 HydrophobicContact CG-CD1 3.66Å; W97-I108 HydrophobicContact CG-CG1 3.97Å; W97-I108 HydrophobicContact CH2-CD1 4.38Å; W97-I108 HydrophobicContact CZ2-CD1 3.85Å; W97-I108 HydrophobicContact CZ2-CG1 4.49Å; W97-I108 HydrophobicContact CZ3-CD1 4.48Å; W97-I108 HydrophobicContact CZ3-CG1 4.26Å; W97-L119 HydrophobicContact CH2-CB 3.64Å; W97-L119 HydrophobicContact CZ2-CB 4.26Å; W97-L119 HydrophobicContact CZ3-CB 4.28Å; W97-R121 HydrophobicContact CH2-CB 4.47Å; W97-R121 HydrophobicContact CH2-CG 3.7Å; W97-R121 HydrophobicContact CZ2-CG 4.15Å; W97-R121 HydrophobicContact CZ3-CB 4.35Å; W97-R121 HydrophobicContact CZ3-CG 4.04Å
98H97.9Very high97.9Very high92 Ų9259.8 Ų59.843%0.42631%0.31SS..EExtended strand (participates in β ladder)trans-132.6148.2172.174.886.5000111R96 E106 V107R96-H98 PolarHBondContact O-N 3.47Å; H98-E106 CarbonylContact O-C 3.58Å; H98-E106 VanDerWaalsContact O-CA 3.29Å; H98-E106 WeakPolarHBondContact O-CA 3.33Å; H98-V107 WeakPolarHBondContact CE1-CG2 3.35Å; H98-V107 PolarHBondContact N-O 3.34Å; H98-V107 VanDerWaalsContact N-O 3.11Å; H98-V107 VanDerWaalsContact NE2-CG2 3.35Å; H98-V107 WeakPolarHBondContact NE2-CG2 3.34Å; H98-V107 PolarHBondContact O-N 3.37Å
99G98.3Very high97.9Very high45 Ų4564.3 Ų64.346%0.46433%0.333SS..EExtended strand (participates in β ladder)trans-69.1137.7173.800000111.2
100D98Very high97.7Very high17 Ų1762.6 Ų62.69%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-129.4110.3173179.1-14.9000109.2H102 V103 S104 G105 V107 K139 Y140D100-H102 VanDerWaalsContact C-N 3.32Å; D100-H102 PolarHBondContact O-N 2.88Å; D100-H102 WeakPolarHBondContact OD1-CB 3.4Å; D100-H102 PolarHBondContact OD1-N 3.17Å; D100-V103 HydrophobicContact CB-CG2 3.66Å; D100-V103 PolarHBondContact OD1-N 2.98Å; D100-S104 WeakPolarHBondContact O-CA 3.32Å; D100-S104 PolarHBondContact O-N 3.43Å; D100-G105 PolarHBondContact N-O 2.88Å; D100-G105 PolarHBondContact O-N 3.46Å; D100-V107 HydrophobicContact CB-CG2 3.99Å; D100-K139 IonicContact OD1-NZ 2.93Å; D100-K139 IonicContact OD2-NZ 3.44Å; D100-K139 PolarHBondContact OD2-NZ 3.1Å; D100-Y140 PolarHBondContact OD2-OH 2.81Å
101R97.4Very high97.5Very high237 Ų23762.4 Ų62.489%0.89432%0.321SS*.THydrogen-bonded Turntrans-65.9-35.1-177-67.1-176.7179.9174.70.4112S104R101-S104 PolarHBondContact O-N 2.9Å; R101-S104 PolarHBondContact O-OG 3.46Å
102H96.5Very high97.1Very high112 Ų11260.6 Ų60.652%0.51931%0.312SS..THydrogen-bonded Turntrans-62.4-49.3-179-178.987.5000109.9D100 S104 R135D100-H102 VanDerWaalsContact C-N 3.32Å; D100-H102 PolarHBondContact O-N 2.88Å; D100-H102 WeakPolarHBondContact OD1-CB 3.4Å; D100-H102 PolarHBondContact OD1-N 3.17Å; H102-S104 VanDerWaalsContact C-N 3.27Å; H102-S104 PolarHBondContact O-N 2.97Å; H102-R135 WeakPolarHBondContact O-CD 2.99Å
103V97.3Very high96.3Very high0 Ų064.6 Ų64.60%032%0.317CS..THydrogen-bonded Turntrans-82.1-6178.1-49.30000112.9D100 G105 V107 L120 S132 A136 K139 Y140D100-V103 HydrophobicContact CB-CG2 3.66Å; D100-V103 PolarHBondContact OD1-N 2.98Å; V103-G105 VanDerWaalsContact C-N 3.29Å; V103-G105 PolarHBondContact O-N 3.16Å; V103-V107 HydrophobicContact CG2-CG1 3.84Å; V103-L120 HydrophobicContact CG2-CD1 4.07Å; V103-S132 WeakPolarHBondContact O-CA 3.21Å; V103-S132 WeakPolarHBondContact O-CB 3.26Å; V103-S132 PolarHBondContact O-OG 3.42Å; V103-A136 HydrophobicContact CB-CB 4.18Å; V103-A136 HydrophobicContact CG1-CB 4Å; V103-K139 HydrophobicContact CG1-CB 4.39Å; V103-K139 HydrophobicContact CG1-CD 3.81Å; V103-Y140 HydrophobicContact CG1-CE2 4.22Å
104S98.1Very high95.5Very high29 Ų2972.6 Ų72.620%0.20335%0.354CS..THydrogen-bonded Turntrans5148.9-175.1-59.60000112.1D100 R101 H102 R123 S132 R135D100-S104 WeakPolarHBondContact O-CA 3.32Å; D100-S104 PolarHBondContact O-N 3.43Å; R101-S104 PolarHBondContact O-N 2.9Å; R101-S104 PolarHBondContact O-OG 3.46Å; H102-S104 VanDerWaalsContact C-N 3.27Å; H102-S104 PolarHBondContact O-N 2.97Å; S104-R123 WeakPolarHBondContact O-CA 3.17Å; S104-R123 PolarHBondContact O-N 3.38Å; S104-S132 PolarHBondContact O-OG 3.13Å; S104-R135 PolarHBondContact OG-NH1 2.83Å
105G98.1Very high95Very high1 Ų170.5 Ų70.51%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-154.8176.1-173.700000112.5D100 V103 R121D100-G105 PolarHBondContact N-O 2.88Å; D100-G105 PolarHBondContact O-N 3.46Å; V103-G105 VanDerWaalsContact C-N 3.29Å; V103-G105 PolarHBondContact O-N 3.16Å; G105-R121 CarbonylContact C-O 3.6Å; G105-R121 VanDerWaalsContact CA-O 3.24Å; G105-R121 WeakPolarHBondContact CA-O 3.27Å
106E98.4Very high94.8Very high62 Ų6268.9 Ų68.929%0.2932%0.32SS..EExtended strand (participates in β ladder)trans-99.6141.1161.7-53.2-178.6120.100108.1W97 H98 R121 R123W97-E106 HydrophobicContact CE3-CB 3.66Å; W97-E106 HydrophobicContact CZ3-CB 4.19Å; W97-E106 VanDerWaalsContact CZ3-O 3.29Å; W97-E106 WeakPolarHBondContact CZ3-O 3.26Å; H98-E106 CarbonylContact O-C 3.58Å; H98-E106 VanDerWaalsContact O-CA 3.29Å; H98-E106 WeakPolarHBondContact O-CA 3.33Å; E106-R121 HydrophobicContact CB-CB 4.41Å; E106-R121 PolarHBondContact N-O 3.42Å; E106-R121 PolarHBondContact O-N 2.84Å; E106-R123 HydrophobicContact CG-CG 3.92Å
107V98.7Very high94.7Very high0 Ų062.4 Ų62.40%030%0.296CS..EExtended strand (participates in β ladder)trans-132.1152.9-177.8-62.20000111.9H98 D100 V103 L119 L120H98-V107 WeakPolarHBondContact CE1-CG2 3.35Å; H98-V107 PolarHBondContact N-O 3.34Å; H98-V107 VanDerWaalsContact N-O 3.11Å; H98-V107 VanDerWaalsContact NE2-CG2 3.35Å; H98-V107 WeakPolarHBondContact NE2-CG2 3.34Å; H98-V107 PolarHBondContact O-N 3.37Å; D100-V107 HydrophobicContact CB-CG2 3.99Å; V103-V107 HydrophobicContact CG2-CG1 3.84Å; V107-L119 WeakPolarHBondContact CA-O 3.36Å; V107-L120 HydrophobicContact CG1-CD1 3.75Å
108I98.5Very high94.8Very high1 Ų160.7 Ų60.71%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-126.9135.6160.7-69.6167.6000107A88 V93 R96 W97 T110 V118 L119A88-I108 HydrophobicContact CB-CD1 3.77Å; V93-I108 HydrophobicContact CB-CG2 4.13Å; V93-I108 HydrophobicContact CG2-CD1 4.24Å; V93-I108 HydrophobicContact CG2-CG2 3.86Å; V93-I108 WeakPolarHBondContact O-CD1 3.39Å; R96-I108 HydrophobicContact CB-CG1 4.28Å; R96-I108 HydrophobicContact CB-CG2 4.48Å; W97-I108 HydrophobicContact CB-CD1 4.5Å; W97-I108 HydrophobicContact CB-CG1 4.43Å; W97-I108 HydrophobicContact CD2-CD1 3.46Å; W97-I108 VanDerWaalsContact CD2-CD1 3.46Å; W97-I108 HydrophobicContact CD2-CG1 3.67Å; W97-I108 HydrophobicContact CE3-CD1 4.06Å; W97-I108 HydrophobicContact CE3-CG1 3.8Å; W97-I108 HydrophobicContact CG-CD1 3.66Å; W97-I108 HydrophobicContact CG-CG1 3.97Å; W97-I108 HydrophobicContact CH2-CD1 4.38Å; W97-I108 HydrophobicContact CZ2-CD1 3.85Å; W97-I108 HydrophobicContact CZ2-CG1 4.49Å; W97-I108 HydrophobicContact CZ3-CD1 4.48Å; W97-I108 HydrophobicContact CZ3-CG1 4.26Å; I108-T110 HydrophobicContact CG2-CG2 4.48Å; I108-V118 WeakPolarHBondContact O-CA 3.1Å; I108-L119 HydrophobicContact CB-CB 4.18Å; I108-L119 HydrophobicContact CB-CD1 4.35Å; I108-L119 HydrophobicContact CB-CG 4.4Å; I108-L119 HydrophobicContact CD1-CD1 4.32Å; I108-L119 PolarHBondContact N-O 3.25Å; I108-L119 PolarHBondContact O-N 3.48Å
109L97.8Very high94.8Very high95 Ų9556.3 Ų56.350%0.49727%0.27SS..EExtended strand (participates in β ladder)trans-102.3126.3165.5-58.5177.6000108.2V118 Y140L109-V118 HydrophobicContact CD2-CB 4.25Å; L109-V118 HydrophobicContact CD2-CG1 4.06Å; L109-V118 HydrophobicContact CD2-CG2 3.66Å; L109-Y140 HydrophobicContact CD1-CE1 4.22Å; L109-Y140 HydrophobicContact CD2-CD1 4.1Å; L109-Y140 HydrophobicContact CD2-CE1 3.64Å; L109-Y140 HydrophobicContact CG-CE1 4.47Å
110T95.9Very high94.8Very high24 Ų2454.1 Ų54.115%0.14725%0.248CC..EExtended strand (participates in β ladder)trans-149.4176.1179.3-164.70000110.4L91 I108 V117L91-T110 HydrophobicContact CD1-CG2 4.21Å; I108-T110 HydrophobicContact CG2-CG2 4.48Å; T110-V117 HydrophobicContact CG2-CB 4.06Å; T110-V117 PolarHBondContact N-O 2.82Å; T110-V117 PolarHBondContact O-N 3.45Å
111E92.3Very high94.9Very high128 Ų12855.6 Ų55.660%0.59825%0.252SS*.EExtended strand (participates in β ladder)trans-124.4136.9175.7-64.3-170.216400110.1A115 R116E111-A115 CarbonylContact C-O 3.49Å; E111-A115 VanDerWaalsContact CA-O 3.29Å; E111-A115 WeakPolarHBondContact CA-O 3.22Å; E111-R116 HydrophobicContact CG-CG 4.38Å; E111-R116 IonicContact OE1-NE 2.67Å
112V89.6Confident94.9Very high9 Ų944.4 Ų44.46%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-131.2112.3176.1-178.30000107.5L91 Q114 A115 V117 L234L91-V112 HydrophobicContact CD1-CG2 4.03Å; L91-V112 HydrophobicContact CD2-CG2 3.99Å; V112-Q114 VanDerWaalsContact C-N 3.33Å; V112-Q114 PolarHBondContact O-N 2.85Å; V112-A115 PolarHBondContact N-O 3.45Å; V112-A115 WeakPolarHBondContact O-CB 3.19Å; V112-A115 PolarHBondContact O-N 3.34Å; V112-V117 HydrophobicContact CB-CG2 3.98Å; V112-V117 HydrophobicContact CG2-CB 4.45Å; V112-V117 HydrophobicContact CG2-CG2 3.87Å; V112-L234 HydrophobicContact CB-CB 4.47Å; V112-L234 HydrophobicContact CG1-CB 4.07Å; V112-L234 HydrophobicContact CG1-CD1 4.49Å; V112-L234 HydrophobicContact CG2-CD1 4.28Å
113Q79.6Confident94.9Very high136 Ų13646.1 Ų46.164%0.63621%0.212SC*.THydrogen-bonded Turntrans43.354.7176.7-62.2-178.2200113.3A115 S235Q113-A115 VanDerWaalsContact C-N 3.27Å; Q113-A115 PolarHBondContact O-N 2.85Å; Q113-S235 PolarHBondContact NE2-OG 3.02Å; Q113-S235 PolarHBondContact OE1-OG 3.46Å
114Q81.1Confident94.9Very high171 Ų17148 Ų4880%0.79922%0.222SC*.THydrogen-bonded Turntrans73.6-0.6179.9-49.7172-43.900116.6V112V112-Q114 VanDerWaalsContact C-N 3.33Å; V112-Q114 PolarHBondContact O-N 2.85Å
115A87.4Confident94.9Very high2 Ų251.9 Ų51.92%0.01724%0.24CC..EExtended strand (participates in β ladder)trans-90.5130.4168.300000110.7R60 E111 V112 Q113 V117R60-A115 HydrophobicContact CB-CB 4.27Å; R60-A115 CarbonylContact O-C 3.38Å; R60-A115 WeakPolarHBondContact O-CA 3.24Å; E111-A115 CarbonylContact C-O 3.49Å; E111-A115 VanDerWaalsContact CA-O 3.29Å; E111-A115 WeakPolarHBondContact CA-O 3.22Å; V112-A115 PolarHBondContact N-O 3.45Å; V112-A115 WeakPolarHBondContact O-CB 3.19Å; V112-A115 PolarHBondContact O-N 3.34Å; Q113-A115 VanDerWaalsContact C-N 3.27Å; Q113-A115 PolarHBondContact O-N 2.85Å; A115-V117 HydrophobicContact CB-CG2 4.29Å; A115-V117 PolarHBondContact O-N 2.79Å
116R93.6Very high94.9Very high102 Ų10252.1 Ų52.139%0.38524%0.241SC..EExtended strand (participates in β ladder)trans-73.5117.6164.6-69.8-173.2176.4176.76.5108.3R60 R61 K62 E111R60-R116 PolarHBondContact O-N 3.32Å; R61-R116 CarbonylContact C-O 3.18Å; R61-R116 WeakPolarHBondContact CA-O 3.16Å; K62-R116 PolarHBondContact N-O 2.65Å; E111-R116 HydrophobicContact CG-CG 4.38Å; E111-R116 IonicContact OE1-NE 2.67Å
117V97Very high94.8Very high2 Ų251.8 Ų51.81%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-113126.1-175.7-177.80000109.7K62 V64 T110 V112 A115 L119 L234K62-V117 HydrophobicContact CB-CG2 4.44Å; K62-V117 WeakPolarHBondContact O-CA 3.32Å; V64-V117 HydrophobicContact CG2-CG1 4.02Å; T110-V117 HydrophobicContact CG2-CB 4.06Å; T110-V117 PolarHBondContact N-O 2.82Å; T110-V117 PolarHBondContact O-N 3.45Å; V112-V117 HydrophobicContact CB-CG2 3.98Å; V112-V117 HydrophobicContact CG2-CB 4.45Å; V112-V117 HydrophobicContact CG2-CG2 3.87Å; A115-V117 HydrophobicContact CB-CG2 4.29Å; A115-V117 PolarHBondContact O-N 2.79Å; V117-L119 HydrophobicContact CG1-CD2 3.77Å; V117-L234 HydrophobicContact CG1-CD1 4.3Å; V117-L234 HydrophobicContact CG1-CD2 4.33Å; V117-L234 HydrophobicContact CG2-CD1 4.28Å; V117-L234 HydrophobicContact CG2-CD2 3.99Å
118V98.5Very high94.8Very high9 Ų952.5 Ų52.56%0.05525%0.246CC..EExtended strand (participates in β ladder)trans-99.4120.8167.5-172.50000107.8K62 L63 V64 I108 L109 Y140K62-V118 PolarHBondContact O-N 2.86Å; L63-V118 CarbonylContact C-O 3.47Å; L63-V118 WeakPolarHBondContact CA-O 3.31Å; L63-V118 HydrophobicContact CD1-CB 3.7Å; L63-V118 HydrophobicContact CD1-CG1 3.67Å; V64-V118 PolarHBondContact N-O 3.29Å; I108-V118 WeakPolarHBondContact O-CA 3.1Å; L109-V118 HydrophobicContact CD2-CB 4.25Å; L109-V118 HydrophobicContact CD2-CG1 4.06Å; L109-V118 HydrophobicContact CD2-CG2 3.66Å; V118-Y140 HydrophobicContact CB-CD2 4.43Å; V118-Y140 HydrophobicContact CG1-CD2 3.83Å; V118-Y140 HydrophobicContact CG1-CE2 3.74Å; V118-Y140 HydrophobicContact CG1-CG 4.46Å; V118-Y140 HydrophobicContact CG2-CD1 4.16Å; V118-Y140 HydrophobicContact CG2-CD2 3.96Å; V118-Y140 HydrophobicContact CG2-CG 3.77Å
119L98.8Very high94.8Very high0 Ų052.5 Ų52.50%025%0.245CC..EExtended strand (participates in β ladder)trans-92.6132.6165.6-51.3-176.9000108.1V64 L84 L87 A88 W97 V107 I108 V117V64-L119 HydrophobicContact CB-CD2 3.84Å; V64-L119 HydrophobicContact CG2-CD2 4.21Å; V64-L119 CarbonylContact O-C 3.44Å; V64-L119 WeakPolarHBondContact O-CA 3.49Å; L84-L119 HydrophobicContact CD2-CB 4.48Å; L87-L119 HydrophobicContact CD2-CD2 3.76Å; A88-L119 HydrophobicContact CB-CD1 3.94Å; W97-L119 HydrophobicContact CH2-CB 3.64Å; W97-L119 HydrophobicContact CZ2-CB 4.26Å; W97-L119 HydrophobicContact CZ3-CB 4.28Å; V107-L119 WeakPolarHBondContact CA-O 3.36Å; I108-L119 HydrophobicContact CB-CB 4.18Å; I108-L119 HydrophobicContact CB-CD1 4.35Å; I108-L119 HydrophobicContact CB-CG 4.4Å; I108-L119 HydrophobicContact CD1-CD1 4.32Å; I108-L119 PolarHBondContact N-O 3.25Å; I108-L119 PolarHBondContact O-N 3.48Å; V117-L119 HydrophobicContact CG1-CD2 3.77Å
120L98.9Very high94.8Very high0 Ų048 Ų480%022%0.222CC..EExtended strand (participates in β ladder)trans-129.2126.7-178.9174.267.9000111.5L63 V64 V65 G66 L84 V103 V107 P122 V133 A136L63-L120 HydrophobicContact CD1-CB 3.78Å; L63-L120 HydrophobicContact CD1-CD2 4.32Å; V64-L120 PolarHBondContact O-N 3.46Å; V65-L120 WeakPolarHBondContact CA-O 3.32Å; V65-L120 HydrophobicContact CG1-CB 4.44Å; V65-L120 HydrophobicContact CG1-CD2 4.14Å; V65-L120 HydrophobicContact CG1-CG 4.3Å; V65-L120 HydrophobicContact CG2-CB 4.33Å; V65-L120 HydrophobicContact CG2-CD2 4.15Å; G66-L120 PolarHBondContact N-O 2.63Å; L84-L120 WeakPolarHBondContact CD2-O 3.29Å; V103-L120 HydrophobicContact CG2-CD1 4.07Å; V107-L120 HydrophobicContact CG1-CD1 3.75Å; L120-P122 HydrophobicContact CG-CG 4.42Å; L120-V133 HydrophobicContact CD2-CG2 4.17Å; L120-A136 HydrophobicContact CD2-CB 3.69Å
121R98.6Very high94.9Very high48 Ų4846.8 Ų46.818%0.18122%0.215CC..EExtended strand (participates in β ladder)trans-110.7108.2162.6-69.7176.7178.4162.1-3.8109.2M81 L84 G85 W97 G105 E106 R123M81-R121 HydrophobicContact CB-CG 4.47Å; M81-R121 HydrophobicContact CE-CB 4.5Å; M81-R121 HydrophobicContact CG-CG 4.21Å; M81-R121 PolarHBondContact O-NE 2.76Å; M81-R121 PolarHBondContact O-NH2 3.48Å; L84-R121 HydrophobicContact CD2-CG 4.14Å; G85-R121 VanDerWaalsContact N-NH2 3.12Å; W97-R121 HydrophobicContact CH2-CB 4.47Å; W97-R121 HydrophobicContact CH2-CG 3.7Å; W97-R121 HydrophobicContact CZ2-CG 4.15Å; W97-R121 HydrophobicContact CZ3-CB 4.35Å; W97-R121 HydrophobicContact CZ3-CG 4.04Å; G105-R121 CarbonylContact C-O 3.6Å; G105-R121 VanDerWaalsContact CA-O 3.24Å; G105-R121 WeakPolarHBondContact CA-O 3.27Å; E106-R121 HydrophobicContact CB-CB 4.41Å; E106-R121 PolarHBondContact N-O 3.42Å; E106-R121 PolarHBondContact O-N 2.84Å; R121-R123 PolarHBondContact O-N 3.49Å
122P98.4Very high95.2Very high1 Ų140.7 Ų40.71%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-58.2132176.3-27.838.3000111.7V65 G66 M81 L120 L124 N129V65-P122 HydrophobicContact CG1-CG 3.97Å; G66-P122 WeakPolarHBondContact O-CD 3.49Å; M81-P122 WeakPolarHBondContact CE-O 3.45Å; L120-P122 HydrophobicContact CG-CG 4.42Å; P122-L124 PolarHBondContact O-N 2.9Å; P122-N129 HydrophobicContact CB-CB 4.25Å; P122-N129 HydrophobicContact CG-CB 4.23Å
123R97.3Very high95.7Very high148 Ų14840.3 Ų40.356%0.55818%0.184SC*.SBendtrans-94.337172.9-71.8-174.270.1169.92.7111.6P70 S104 E106 R121P70-R123 VanDerWaalsContact CG-C 3.43Å; P70-R123 HydrophobicContact CG-CB 4.45Å; S104-R123 WeakPolarHBondContact O-CA 3.17Å; S104-R123 PolarHBondContact O-N 3.38Å; E106-R123 HydrophobicContact CG-CG 3.92Å; R121-R123 PolarHBondContact O-N 3.49Å
124L95.9Very high96.6Very high39 Ų3933.8 Ų33.820%0.20415%0.153CC..SBendtrans-129.3160.9-178.8-61.7176.8000110.3P70 P122 V128 N129 V131P70-L124 VanDerWaalsContact CD-O 3.22Å; P70-L124 WeakPolarHBondContact CD-O 3.31Å; P122-L124 PolarHBondContact O-N 2.9Å; L124-V128 HydrophobicContact CB-CG2 3.96Å; L124-N129 PolarHBondContact O-ND2 3.42Å; L124-V131 HydrophobicContact CD1-CB 4.1Å; L124-V131 HydrophobicContact CD1-CG1 4.3Å
125L97.7Very high97.4Very high111 Ų11128.1 Ų28.158%0.58113%0.125SC*.  trans-59.6151.2173.3-63.1178.4000111.3N127 V128 N129L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 WeakPolarHBondContact CB-OD1 3.38Å; L125-N127 PolarHBondContact O-N 3.43Å; L125-N127 VanDerWaalsContact O-N 3.17Å; L125-V128 HydrophobicContact CB-CG2 4.1Å; L125-V128 CarbonylContact O-C 3.54Å; L125-V128 WeakPolarHBondContact O-CG2 3.25Å; L125-V128 PolarHBondContact O-N 2.79Å; L125-N129 PolarHBondContact O-N 2.75Å; L125-N129 VanDerWaalsContact O-N 3.12Å; L125-N129 PolarHBondContact O-ND2 2.92Å
126M97.9Very high97.9Very high6 Ų628 Ų283%0.0312%0.124CC..G310 helixtrans-52.1-44.5-173.2179.563.677.500113L67 G68 N69 H77 V128 N129 H172 N173 G174L67-M126 HydrophobicContact CB-CE 4.24Å; L67-M126 HydrophobicContact CB-SD 4.07Å; G68-M126 VanDerWaalsContact CA-CE 3.41Å; N69-M126 WeakPolarHBondContact OD1-CB 3.38Å; N69-M126 PolarHBondContact OD1-N 2.88Å; H77-M126 HydrophobicContact CB-CE 4.41Å; H77-M126 WeakPolarHBondContact NE2-CG 3.47Å; H77-M126 WeakPolarHBondContact O-CE 3.47Å; M126-V128 PolarHBondContact O-N 3.28Å; M126-V128 VanDerWaalsContact O-N 3.1Å; M126-N129 WeakPolarHBondContact CA-ND2 3.22Å; M126-N129 WeakPolarHBondContact O-CB 3.3Å; M126-N129 PolarHBondContact O-N 2.81Å; M126-H172 VanDerWaalsContact SD-CE1 3.58Å; M126-N173 HydrophobicContact CG-CB 4.39Å; M126-G174 WeakPolarHBondContact O-CA 3.36Å; M126-G174 WeakPolarHBondContact SD-CA 3.43Å
127N97.6Very high98.2Very high55 Ų5523.6 Ų23.629%0.29411%0.109SC..G310 helixtrans-67.5-9.3-17864.1-54.3000114.4L125 N173 S177L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 WeakPolarHBondContact CB-OD1 3.38Å; L125-N127 PolarHBondContact O-N 3.43Å; L125-N127 VanDerWaalsContact O-N 3.17Å; N127-N173 HydrophobicContact CB-CB 4.27Å; N127-S177 VanDerWaalsContact O-CB 3.26Å; N127-S177 WeakPolarHBondContact O-CB 3.16Å; N127-S177 PolarHBondContact O-OG 3.21Å
128V97.6Very high98.2Very high16 Ų1624.7 Ų24.710%0.09712%0.12CC..G310 helixtrans-125.711.8178-66.90000112.6I35 L124 L125 M126 G130 V131 S177I35-V128 HydrophobicContact CG2-CG1 4Å; L124-V128 HydrophobicContact CB-CG2 3.96Å; L125-V128 HydrophobicContact CB-CG2 4.1Å; L125-V128 CarbonylContact O-C 3.54Å; L125-V128 WeakPolarHBondContact O-CG2 3.25Å; L125-V128 PolarHBondContact O-N 2.79Å; M126-V128 PolarHBondContact O-N 3.28Å; M126-V128 VanDerWaalsContact O-N 3.1Å; V128-G130 PolarHBondContact O-N 3.48Å; V128-G130 VanDerWaalsContact O-N 3.13Å; V128-V131 WeakPolarHBondContact O-CB 3.41Å; V128-V131 PolarHBondContact O-N 3.02Å; V128-V131 VanDerWaalsContact O-N 3.1Å; V128-S177 VanDerWaalsContact CA-OG 3.26Å; V128-S177 WeakPolarHBondContact CA-OG 3.47Å
129N98.5Very high98.1Very high0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-53.4-32.9174.4-92.9-146000112.2L67 G68 P122 L124 L125 M126 V131 S132 V133L67-N129 HydrophobicContact CD2-CB 4.09Å; G68-N129 PolarHBondContact N-OD1 3.45Å; G68-N129 PolarHBondContact O-ND2 3.27Å; G68-N129 PolarHBondContact O-OD1 2.82Å; P122-N129 HydrophobicContact CB-CB 4.25Å; P122-N129 HydrophobicContact CG-CB 4.23Å; L124-N129 PolarHBondContact O-ND2 3.42Å; L125-N129 PolarHBondContact O-N 2.75Å; L125-N129 VanDerWaalsContact O-N 3.12Å; L125-N129 PolarHBondContact O-ND2 2.92Å; M126-N129 WeakPolarHBondContact CA-ND2 3.22Å; M126-N129 WeakPolarHBondContact O-CB 3.3Å; M126-N129 PolarHBondContact O-N 2.81Å; N129-V131 PolarHBondContact O-N 3.26Å; N129-S132 WeakPolarHBondContact O-CB 3.48Å; N129-S132 PolarHBondContact O-N 2.81Å; N129-V133 WeakPolarHBondContact O-CG2 3.2Å; N129-V133 PolarHBondContact O-N 3.46Å; N129-V133 VanDerWaalsContact O-N 3.12Å
130G98.5Very high98Very high0 Ų030.5 Ų30.50%014%0.144CC..Hα-helixtrans-59.5-27.3179.700000114.5V128 V133 A134 S177 C181V128-G130 PolarHBondContact O-N 3.48Å; V128-G130 VanDerWaalsContact O-N 3.13Å; G130-V133 PolarHBondContact O-N 3.46Å; G130-A134 VanDerWaalsContact O-CB 3.28Å; G130-A134 WeakPolarHBondContact O-CB 3.28Å; G130-A134 PolarHBondContact O-N 3.17Å; G130-S177 WeakPolarHBondContact CA-OG 3.31Å; G130-S177 PolarHBondContact N-OG 3.38Å; G130-C181 VanDerWaalsContact O-CB 3.32Å; G130-C181 WeakPolarHBondContact O-CB 3.32Å
131V98.5Very high97.8Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-63.8-47.1174.4173.90000110.2N36 L39 L40 L124 V128 N129 A134 R135N36-V131 WeakPolarHBondContact OD1-CG2 3.25Å; L39-V131 HydrophobicContact CB-CG1 3.77Å; L39-V131 HydrophobicContact CB-CG2 4.26Å; L39-V131 HydrophobicContact CD1-CG1 4.15Å; L39-V131 HydrophobicContact CD1-CG2 4.03Å; L40-V131 HydrophobicContact CD2-CG1 4.04Å; L40-V131 HydrophobicContact CG-CG1 4.47Å; L124-V131 HydrophobicContact CD1-CB 4.1Å; L124-V131 HydrophobicContact CD1-CG1 4.3Å; V128-V131 WeakPolarHBondContact O-CB 3.41Å; V128-V131 PolarHBondContact O-N 3.02Å; V128-V131 VanDerWaalsContact O-N 3.1Å; N129-V131 PolarHBondContact O-N 3.26Å; V131-A134 PolarHBondContact O-N 3.47Å; V131-R135 WeakPolarHBondContact O-CG 3.46Å; V131-R135 PolarHBondContact O-N 2.98Å
132S98.7Very high97.7Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-63.2-44178.2179.70000111.3V103 S104 N129 R135 A136V103-S132 WeakPolarHBondContact O-CA 3.21Å; V103-S132 WeakPolarHBondContact O-CB 3.26Å; V103-S132 PolarHBondContact O-OG 3.42Å; S104-S132 PolarHBondContact O-OG 3.13Å; N129-S132 WeakPolarHBondContact O-CB 3.48Å; N129-S132 PolarHBondContact O-N 2.81Å; S132-R135 PolarHBondContact O-N 3.36Å; S132-A136 WeakPolarHBondContact O-CB 3.26Å; S132-A136 PolarHBondContact O-N 3.37Å
133V98.8Very high97.6Very high0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-61.8-46.6177.7179.30000111.7L63 V65 L120 N129 G130 A136 A137 I147 L149 L182L63-V133 HydrophobicContact CD2-CG1 4.35Å; V65-V133 HydrophobicContact CB-CG2 4.38Å; V65-V133 HydrophobicContact CG1-CG2 3.64Å; V65-V133 HydrophobicContact CG2-CG1 4.22Å; V65-V133 HydrophobicContact CG2-CG2 4.06Å; L120-V133 HydrophobicContact CD2-CG2 4.17Å; N129-V133 WeakPolarHBondContact O-CG2 3.2Å; N129-V133 PolarHBondContact O-N 3.46Å; N129-V133 VanDerWaalsContact O-N 3.12Å; G130-V133 PolarHBondContact O-N 3.46Å; V133-A136 PolarHBondContact O-N 2.85Å; V133-A137 WeakPolarHBondContact O-CB 3.5Å; V133-A137 PolarHBondContact O-N 3.33Å; V133-I147 HydrophobicContact CG1-CD1 4.26Å; V133-I147 HydrophobicContact CG1-CG2 4.06Å; V133-L149 HydrophobicContact CG1-CD2 4.41Å; V133-L182 HydrophobicContact CG1-CD1 4.06Å
134A98.6Very high97.6Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-64.1-42.5179.800000112L40 F44 G130 V131 A137 G138 C181 L182L40-A134 HydrophobicContact CD2-CB 4.11Å; F44-A134 HydrophobicContact CE2-CB 3.85Å; F44-A134 HydrophobicContact CZ-CB 3.93Å; G130-A134 VanDerWaalsContact O-CB 3.28Å; G130-A134 WeakPolarHBondContact O-CB 3.28Å; G130-A134 PolarHBondContact O-N 3.17Å; V131-A134 PolarHBondContact O-N 3.47Å; A134-A137 PolarHBondContact O-N 2.69Å; A134-G138 PolarHBondContact O-N 3.42Å; A134-C181 HydrophobicContact CB-CB 3.87Å; A134-L182 HydrophobicContact CB-CD2 4.07Å
135R98.6Very high97.6Very high52 Ų5234 Ų3420%0.19618%0.18CC..Hα-helixtrans-64-40.6175.5-69.3-174.5-170.9158.7-8.6112.3L39 L40 H102 S104 V131 S132 G138 K139L39-R135 PolarHBondContact O-NE 2.8Å; L39-R135 PolarHBondContact O-NH2 3.04Å; L40-R135 HydrophobicContact CD2-CG 4.15Å; H102-R135 WeakPolarHBondContact O-CD 2.99Å; S104-R135 PolarHBondContact OG-NH1 2.83Å; V131-R135 WeakPolarHBondContact O-CG 3.46Å; V131-R135 PolarHBondContact O-N 2.98Å; S132-R135 PolarHBondContact O-N 3.36Å; R135-G138 PolarHBondContact O-N 3.01Å; R135-K139 VanDerWaalsContact O-CB 3.28Å; R135-K139 WeakPolarHBondContact O-CB 3.36Å; R135-K139 PolarHBondContact O-N 2.84Å
136A98.6Very high97.5Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-64.1-44.5174.400000111.9L63 V103 L120 S132 V133 G138 K139 Y140L63-A136 HydrophobicContact CD1-CB 4.36Å; L63-A136 HydrophobicContact CD2-CB 4.03Å; V103-A136 HydrophobicContact CB-CB 4.18Å; V103-A136 HydrophobicContact CG1-CB 4Å; L120-A136 HydrophobicContact CD2-CB 3.69Å; S132-A136 WeakPolarHBondContact O-CB 3.26Å; S132-A136 PolarHBondContact O-N 3.37Å; V133-A136 PolarHBondContact O-N 2.85Å; A136-G138 VanDerWaalsContact C-N 3.33Å; A136-G138 PolarHBondContact O-N 3Å; A136-K139 PolarHBondContact O-N 2.94Å; A136-Y140 HydrophobicContact CB-CD2 4.2Å; A136-Y140 HydrophobicContact CB-CE2 4.35Å; A136-Y140 WeakPolarHBondContact O-CB 3.34Å; A136-Y140 WeakPolarHBondContact O-CD2 3.21Å; A136-Y140 PolarHBondContact O-N 2.79Å
137A98.4Very high97.5Very high9 Ų930.2 Ų30.27%0.07416%0.161CC..Hα-helixtrans-57.2-46.3176.600000111.7L63 V133 A134 G141 V142 I147 L182L63-A137 HydrophobicContact CD2-CB 4.49Å; V133-A137 WeakPolarHBondContact O-CB 3.5Å; V133-A137 PolarHBondContact O-N 3.33Å; A134-A137 PolarHBondContact O-N 2.69Å; A137-G141 WeakPolarHBondContact O-CA 3.48Å; A137-G141 PolarHBondContact O-N 2.69Å; A137-V142 PolarHBondContact O-N 3.37Å; A137-I147 HydrophobicContact CB-CD1 3.77Å; A137-L182 HydrophobicContact CB-CD2 4.23Å
138G97.2Very high97.6Very high24 Ų2428.1 Ų28.125%0.24715%0.15CC..Hα-helixtrans-64.3-48.6175.200000113A134 R135 A136 Y140 G141A134-G138 PolarHBondContact O-N 3.42Å; R135-G138 PolarHBondContact O-N 3.01Å; A136-G138 VanDerWaalsContact C-N 3.33Å; A136-G138 PolarHBondContact O-N 3Å; G138-Y140 PolarHBondContact O-N 3.13Å; G138-G141 PolarHBondContact O-N 3.1Å
139K97.6Very high97.6Very high97 Ų9727.4 Ų27.442%0.42215%0.145SC..Hα-helixtrans-60.6-41.4-178.7179.3176.5178.81760113D100 V103 R135 A136D100-K139 IonicContact OD1-NZ 2.93Å; D100-K139 IonicContact OD2-NZ 3.44Å; D100-K139 PolarHBondContact OD2-NZ 3.1Å; V103-K139 HydrophobicContact CG1-CB 4.39Å; V103-K139 HydrophobicContact CG1-CD 3.81Å; R135-K139 VanDerWaalsContact O-CB 3.28Å; R135-K139 WeakPolarHBondContact O-CB 3.36Å; R135-K139 PolarHBondContact O-N 2.84Å; A136-K139 PolarHBondContact O-N 2.94Å
140Y96.2Very high97.6Very high34 Ų3427.4 Ų27.413%0.13315%0.145CC..Hα-helixtrans-97.81.4-175.3-60.4-65.9000113.2R61 D100 V103 L109 V118 A136 G138R61-Y140 WeakPolarHBondContact CD-O 3.43Å; R61-Y140 PolarHBondContact NH1-O 3.19Å; D100-Y140 PolarHBondContact OD2-OH 2.81Å; V103-Y140 HydrophobicContact CG1-CE2 4.22Å; L109-Y140 HydrophobicContact CD1-CE1 4.22Å; L109-Y140 HydrophobicContact CD2-CD1 4.1Å; L109-Y140 HydrophobicContact CD2-CE1 3.64Å; L109-Y140 HydrophobicContact CG-CE1 4.47Å; V118-Y140 HydrophobicContact CB-CD2 4.43Å; V118-Y140 HydrophobicContact CG1-CD2 3.83Å; V118-Y140 HydrophobicContact CG1-CE2 3.74Å; V118-Y140 HydrophobicContact CG1-CG 4.46Å; V118-Y140 HydrophobicContact CG2-CD1 4.16Å; V118-Y140 HydrophobicContact CG2-CD2 3.96Å; V118-Y140 HydrophobicContact CG2-CG 3.77Å; A136-Y140 HydrophobicContact CB-CD2 4.2Å; A136-Y140 HydrophobicContact CB-CE2 4.35Å; A136-Y140 WeakPolarHBondContact O-CB 3.34Å; A136-Y140 WeakPolarHBondContact O-CD2 3.21Å; A136-Y140 PolarHBondContact O-N 2.79Å; G138-Y140 PolarHBondContact O-N 3.13Å
141G95.3Very high97.7Very high42 Ų4227.8 Ų27.843%0.43315%0.147SC..THydrogen-bonded Turntrans59.546.9-179.300000112.6A137 G138A137-G141 WeakPolarHBondContact O-CA 3.48Å; A137-G141 PolarHBondContact O-N 2.69Å; G138-G141 PolarHBondContact O-N 3.1Å
142V96.4Very high97.7Very high10 Ų1028 Ų286%0.06115%0.148CC..  trans-104.9126.6-179.9-175.80000109.6R61 L63 A137 D146 I147R61-V142 HydrophobicContact CB-CG2 4.04Å; L63-V142 HydrophobicContact CB-CB 4.27Å; L63-V142 HydrophobicContact CB-CG1 3.82Å; L63-V142 HydrophobicContact CB-CG2 4.26Å; A137-V142 PolarHBondContact O-N 3.37Å; V142-D146 HydrophobicContact CG1-CB 3.65Å; V142-I147 HydrophobicContact CG1-CG1 4Å
143K95.9Very high97.6Very high130 Ų13028.7 Ų28.757%0.56515%0.151SC*.  trans-76.7152.6177.6-61.5-177.6-177.9175.20111.2E145 D146 I147K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 VanDerWaalsContact CB-CD 3.48Å; K143-E145 HydrophobicContact CB-CG 4.1Å; K143-E145 VanDerWaalsContact CD-OE1 3.26Å; K143-E145 WeakPolarHBondContact CD-OE1 3.48Å; K143-E145 PolarHBondContact O-N 3.45Å; K143-D146 WeakPolarHBondContact O-CA 3.18Å; K143-D146 WeakPolarHBondContact O-CB 3.19Å; K143-D146 PolarHBondContact O-N 3.1Å; K143-I147 WeakPolarHBondContact O-CG1 3.36Å; K143-I147 PolarHBondContact O-N 3.23Å
144P96.8Very high97.6Very high29 Ų2930.2 Ų30.219%0.18816%0.159CC..G310 helixtrans-54.1-37.1-179.2-29.237.6000115.5D146 I147 T184 V186 M187P144-D146 PolarHBondContact O-N 3.12Å; P144-I147 WeakPolarHBondContact O-CB 3.32Å; P144-I147 PolarHBondContact O-N 3.12Å; P144-I147 VanDerWaalsContact O-N 3.1Å; P144-T184 HydrophobicContact CB-CG2 3.46Å; P144-T184 VanDerWaalsContact CB-CG2 3.46Å; P144-T184 HydrophobicContact CG-CG2 3.68Å; P144-V186 HydrophobicContact CB-CG2 3.69Å; P144-M187 HydrophobicContact CB-CG 4.45Å; P144-M187 HydrophobicContact CB-SD 4.03Å; P144-M187 WeakPolarHBondContact O-CG 3.43Å
145E95.7Very high97.5Very high100 Ų10033.4 Ų33.447%0.46718%0.176SC..G310 helixtrans-61.9-22.7174.855.4-92.5-145.800113.7K143K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 VanDerWaalsContact CB-CD 3.48Å; K143-E145 HydrophobicContact CB-CG 4.1Å; K143-E145 VanDerWaalsContact CD-OE1 3.26Å; K143-E145 WeakPolarHBondContact CD-OE1 3.48Å; K143-E145 PolarHBondContact O-N 3.45Å
146D96.5Very high97.4Very high37 Ų3733.6 Ų33.620%0.19818%0.179CC..G310 helixtrans-95.94.3178.1-66.3-47.6000113.3R61 K62 L63 V142 K143 P144R61-D146 WeakPolarHBondContact O-CB 3.43Å; K62-D146 WeakPolarHBondContact CA-O 3.33Å; K62-D146 HydrophobicContact CD-CB 3.97Å; K62-D146 IonicContact NZ-OD1 3.57Å; K62-D146 PolarHBondContact NZ-OD1 3.05Å; L63-D146 PolarHBondContact N-O 2.66Å; V142-D146 HydrophobicContact CG1-CB 3.65Å; K143-D146 WeakPolarHBondContact O-CA 3.18Å; K143-D146 WeakPolarHBondContact O-CB 3.19Å; K143-D146 PolarHBondContact O-N 3.1Å; P144-D146 PolarHBondContact O-N 3.12Å
147I98.2Very high97.3Very high0 Ų037.5 Ų37.50%020%0.204CC..EExtended strand (participates in β ladder)trans-97.5113.5176.5-53.1177.3000109.9L63 V65 V133 A137 V142 K143 P144 L149 L182 M187 P188L63-I147 HydrophobicContact CB-CG1 4.21Å; L63-I147 HydrophobicContact CB-CG2 4.44Å; L63-I147 HydrophobicContact CD2-CD1 4.21Å; L63-I147 HydrophobicContact CD2-CG1 4.12Å; L63-I147 HydrophobicContact CD2-CG2 4.11Å; L63-I147 HydrophobicContact CG-CG2 4.25Å; L63-I147 CarbonylContact O-C 3.49Å; L63-I147 VanDerWaalsContact O-CA 3.32Å; L63-I147 WeakPolarHBondContact O-CA 3.47Å; V65-I147 HydrophobicContact CG2-CG2 3.96Å; V133-I147 HydrophobicContact CG1-CD1 4.26Å; V133-I147 HydrophobicContact CG1-CG2 4.06Å; A137-I147 HydrophobicContact CB-CD1 3.77Å; V142-I147 HydrophobicContact CG1-CG1 4Å; K143-I147 WeakPolarHBondContact O-CG1 3.36Å; K143-I147 PolarHBondContact O-N 3.23Å; P144-I147 WeakPolarHBondContact O-CB 3.32Å; P144-I147 PolarHBondContact O-N 3.12Å; P144-I147 VanDerWaalsContact O-N 3.1Å; I147-L149 HydrophobicContact CG2-CD2 3.75Å; I147-L149 HydrophobicContact CG2-CG 4.46Å; I147-L182 HydrophobicContact CD1-CD1 3.83Å; I147-L182 HydrophobicContact CD1-CD2 4.22Å; I147-M187 HydrophobicContact CB-CG 3.95Å; I147-M187 HydrophobicContact CG2-CG 4.3Å; I147-M187 WeakPolarHBondContact O-CB 3.42Å; I147-P188 WeakPolarHBondContact O-CD 3.47Å
148L98.4Very high97.3Very high11 Ų1138.8 Ų38.86%0.05821%0.209CC..EExtended strand (participates in β ladder)trans-99.2110.4175.8-17755.3000110.4L63 V64 V65 P188 L230 Q233L63-L148 PolarHBondContact O-N 3.38Å; V64-L148 CarbonylContact C-O 3.58Å; V64-L148 WeakPolarHBondContact CA-O 3.47Å; V64-L148 HydrophobicContact CG2-CB 4.49Å; V65-L148 PolarHBondContact N-O 3.37Å; L148-P188 WeakPolarHBondContact CA-O 3.22Å; L148-P188 HydrophobicContact CD1-CB 3.93Å; L148-P188 HydrophobicContact CD1-CG 4.16Å; L148-L230 HydrophobicContact CD2-CD2 3.32Å; L148-L230 HydrophobicContact CG-CD2 3.97Å; L148-Q233 HydrophobicContact CD2-CB 4.22Å
149L98.8Very high97.3Very high1 Ų138.9 Ų38.91%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-89.7137.4177.1-50.6176.7000110.8V65 V133 I147 C178 M187 P188 R189 L190V65-L149 HydrophobicContact CB-CD2 3.79Å; V65-L149 HydrophobicContact CG1-CD2 4.41Å; V65-L149 HydrophobicContact CG2-CD2 3.88Å; V133-L149 HydrophobicContact CG1-CD2 4.41Å; I147-L149 HydrophobicContact CG2-CD2 3.75Å; I147-L149 HydrophobicContact CG2-CG 4.46Å; L149-C178 HydrophobicContact CD1-CB 3.99Å; L149-M187 HydrophobicContact CD1-CB 4.17Å; L149-M187 HydrophobicContact CD1-CE 4.36Å; L149-M187 HydrophobicContact CG-CB 4.22Å; L149-P188 PolarHBondContact N-O 2.79Å; L149-R189 HydrophobicContact CB-CG 4.11Å; L149-R189 HydrophobicContact CD1-CG 4.5Å; L149-R189 CarbonylContact O-C 3.57Å; L149-R189 VanDerWaalsContact O-CA 3.23Å; L149-R189 WeakPolarHBondContact O-CA 3.48Å; L149-L190 PolarHBondContact O-N 2.95Å
150V98.9Very high97.3Very high0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-114.6124.6173.5-167.40000109V64 V65 L67 G80 V83 L84 L190 V192 L230V64-V150 HydrophobicContact CG1-CG2 4.21Å; V65-V150 PolarHBondContact O-N 3.43Å; L67-V150 PolarHBondContact N-O 2.86Å; G80-V150 WeakPolarHBondContact CA-O 3.39Å; V83-V150 HydrophobicContact CB-CG1 3.86Å; V83-V150 HydrophobicContact CG1-CG1 3.86Å; V83-V150 HydrophobicContact CG2-CG1 4.11Å; L84-V150 HydrophobicContact CD1-CB 4.18Å; L84-V150 HydrophobicContact CD1-CG2 3.74Å; V150-L190 WeakPolarHBondContact CA-O 3.01Å; V150-L190 HydrophobicContact CG1-CB 4.21Å; V150-L190 HydrophobicContact CG1-CD2 4.01Å; V150-L190 HydrophobicContact CG1-CG 4.21Å; V150-L190 HydrophobicContact CG2-CB 4.25Å; V150-V192 HydrophobicContact CG1-CG2 4.24Å; V150-L230 HydrophobicContact CG2-CD1 4.15Å; V150-L230 HydrophobicContact CG2-CD2 4.11Å
151H98.8Very high97.4Very high7 Ų740.4 Ų40.43%0.03222%0.219CC..EExtended strand (participates in β ladder)trans-155.4165.8-174.27481.8000113.3L67 H172 V175 L190 V192L67-H151 HydrophobicContact CB-CB 4.22Å; L67-H151 HydrophobicContact CD1-CB 3.94Å; L67-H151 HydrophobicContact CG-CB 4.34Å; H151-H172 AromaticContact ND1-CD2 3.6Å; H151-H172 AromaticContact ND1-NE2 3.97Å; H151-V175 HydrophobicContact CB-CG2 4.47Å; H151-V175 VanDerWaalsContact CD2-CG2 3.47Å; H151-V175 WeakPolarHBondContact CD2-CG2 3.36Å; H151-L190 PolarHBondContact N-O 3.22Å; H151-L190 VanDerWaalsContact N-O 3.13Å; H151-V192 PolarHBondContact O-N 3.33Å
152D98.6Very high97.5Very high5 Ų539.5 Ų39.53%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-74.3148.6175.158.8-68.9000113.5R76 H77 V79 H172 V192 I194R76-D152 WeakPolarHBondContact O-CB 3.15Å; H77-D152 IonicContact CE1-OD1 2.66Å; H77-D152 IonicContact CE1-OD2 3.44Å; H77-D152 IonicContact CG-OD1 3.78Å; H77-D152 IonicContact ND1-OD1 2.78Å; H77-D152 PolarHBondContact ND1-OD1 3.01Å; H77-D152 IonicContact ND1-OD2 3.62Å; H77-D152 PolarHBondContact ND1-OD2 3.43Å; V79-D152 HydrophobicContact CG1-CB 3.76Å; D152-H172 PolarHBondContact O-CD2 2.88Å; D152-H172 IonicContact OD1-CD2 2.64Å; D152-H172 IonicContact OD1-NE2 3.34Å; D152-H172 PolarHBondContact OD1-NE2 3.06Å; D152-V192 CarbonylContact C-O 3.59Å; D152-V192 WeakPolarHBondContact CA-O 3.39Å; D152-I194 HydrophobicContact CB-CD1 3.74Å; D152-I194 HydrophobicContact CB-CG1 3.99Å; D152-I194 HydrophobicContact CB-CG2 3.73Å; D152-I194 WeakPolarHBondContact OD2-CD1 3.41Å
153E98.1Very high97.5Very high14 Ų1441.1 Ų41.17%0.06522%0.215CC..EExtended strand (participates in β ladder)trans-132.1114.2-179.5174.765.4-83.400110.2D155 K156 R191 V192 G193 I194E153-D155 VanDerWaalsContact C-N 3.33Å; E153-D155 PolarHBondContact OE1-N 3.23Å; E153-K156 HydrophobicContact CG-CB 3.98Å; E153-K156 HydrophobicContact CG-CD 3.99Å; E153-K156 HydrophobicContact CG-CG 3.82Å; E153-R191 HydrophobicContact CB-CB 3.96Å; E153-R191 HydrophobicContact CG-CB 4.32Å; E153-R191 WeakPolarHBondContact OE2-CD 3.47Å; E153-R191 IonicContact OE2-CZ 2.72Å; E153-R191 IonicContact OE2-NE 3.83Å; E153-R191 IonicContact OE2-NH1 3.63Å; E153-R191 PolarHBondContact OE2-NH1 3.19Å; E153-V192 PolarHBondContact N-O 2.96Å; E153-G193 WeakPolarHBondContact O-CA 3.37Å; E153-I194 PolarHBondContact O-N 3.17Å
154L97.8Very high97.5Very high33 Ų3338.2 Ų38.217%0.17320%0.202CC..THydrogen-bonded Turntrans-69.7-32.4-179.2-70.9165.3000111.9K156 I194 G195 R196 V203 V207L154-K156 PolarHBondContact O-N 3.3Å; L154-I194 HydrophobicContact CD2-CD1 3.71Å; L154-I194 HydrophobicContact CD2-CG1 4.13Å; L154-I194 HydrophobicContact CG-CD1 4.31Å; L154-G195 WeakPolarHBondContact CD2-O 3.48Å; L154-G195 CarbonylContact O-C 3.51Å; L154-G195 WeakPolarHBondContact O-CA 3.32Å; L154-R196 HydrophobicContact CB-CG 4.11Å; L154-R196 WeakPolarHBondContact O-CG 3.49Å; L154-R196 PolarHBondContact O-N 2.8Å; L154-V203 HydrophobicContact CD1-CG1 3.42Å; L154-V203 VanDerWaalsContact CD1-CG1 3.42Å; L154-V203 HydrophobicContact CD2-CG1 4.23Å; L154-V203 HydrophobicContact CG-CG1 4.48Å; L154-V207 HydrophobicContact CD2-CG1 3.98Å
155D95.8Very high97.4Very high67 Ų6742.6 Ų42.636%0.35822%0.22SC..THydrogen-bonded Turntrans-81.77.1-174.3-64.2-34.9000113.3E153 R170 R196E153-D155 VanDerWaalsContact C-N 3.33Å; E153-D155 PolarHBondContact OE1-N 3.23Å; D155-R170 IonicContact OD2-CZ 3.32Å; D155-R170 IonicContact OD2-NE 2.85Å; D155-R170 PolarHBondContact OD2-NE 2.76Å; D155-R170 IonicContact OD2-NH2 3.2Å; D155-R170 PolarHBondContact OD2-NH2 2.89Å; D155-R196 IonicContact OD1-CZ 3.86Å; D155-R196 IonicContact OD1-NE 3.59Å; D155-R196 PolarHBondContact OD1-NE 2.79Å; D155-R196 IonicContact OD1-NH2 3.23Å; D155-R196 PolarHBondContact OD1-NH2 3.32Å; D155-R196 IonicContact OD2-NH2 2.79Å
156K96.8Very high97.2Very high56 Ų5638.3 Ų38.324%0.24320%0.202CC..SBendtrans-127.1133.5175.2-70.6-176.5-179.2-65.10109.5E153 L154 K160 A162 G193 I194 G195E153-K156 HydrophobicContact CG-CB 3.98Å; E153-K156 HydrophobicContact CG-CD 3.99Å; E153-K156 HydrophobicContact CG-CG 3.82Å; L154-K156 PolarHBondContact O-N 3.3Å; K156-K160 HydrophobicContact CB-CB 4.27Å; K156-A162 HydrophobicContact CD-CB 4.38Å; K156-G193 CarbonylContact O-C 3.56Å; K156-G193 WeakPolarHBondContact O-CA 3.35Å; K156-I194 PolarHBondContact O-N 3.46Å; K156-I194 VanDerWaalsContact O-N 3.1Å; K156-G195 WeakPolarHBondContact O-CA 3.36Å; K156-G195 PolarHBondContact O-N 3.49Å
157P97.4Very high97.1Very high82 Ų8237.6 Ų37.653%0.53220%0.204SC..  trans-66.4157.1173.929.1-33.3000110.6K160P157-K160 HydrophobicContact CG-CB 4.44Å; P157-K160 HydrophobicContact CG-CG 3.77Å; P157-K160 WeakPolarHBondContact O-CB 3.08Å; P157-K160 PolarHBondContact O-N 2.97Å; P157-K160 VanDerWaalsContact O-N 3.1Å
158L97.9Very high96.9Very high36 Ų3641.4 Ų41.419%0.18823%0.231CC..THydrogen-bonded Turntrans-55.6141.9171.2-17462.5000110.3K160 G193 F211 E215 V218 L219 V222L158-K160 VanDerWaalsContact C-N 3.35Å; L158-G193 VanDerWaalsContact CA-O 3.31Å; L158-G193 WeakPolarHBondContact CA-O 3.24Å; L158-G193 WeakPolarHBondContact CD1-O 3.29Å; L158-F211 HydrophobicContact CD1-CE1 4Å; L158-F211 HydrophobicContact CD2-CD1 4.22Å; L158-F211 HydrophobicContact CD2-CE1 4.26Å; L158-E215 HydrophobicContact CD2-CB 3.61Å; L158-E215 HydrophobicContact CD2-CG 3.85Å; L158-V218 HydrophobicContact CD2-CB 4.02Å; L158-V218 HydrophobicContact CD2-CG1 4.24Å; L158-V218 HydrophobicContact CG-CB 4.22Å; L158-V218 HydrophobicContact CG-CG1 3.89Å; L158-L219 HydrophobicContact CD1-CD1 4.43Å; L158-V222 HydrophobicContact CD1-CG2 4.3Å
159G97.1Very high96.8Very high25 Ų2541.6 Ų41.626%0.25823%0.234SC..THydrogen-bonded Turntrans90.7-8.9-170.100000114.2V222G159-V222 VanDerWaalsContact CA-CG2 3.45Å
160K98.2Very high96.5Very high130 Ų13048.7 Ų48.757%0.56526%0.261SS*.  trans-109.8117.6175.1-60.2-60.3-178-173.40110.8K156 P157 L158 G193K156-K160 HydrophobicContact CB-CB 4.27Å; P157-K160 HydrophobicContact CG-CB 4.44Å; P157-K160 HydrophobicContact CG-CG 3.77Å; P157-K160 WeakPolarHBondContact O-CB 3.08Å; P157-K160 PolarHBondContact O-N 2.97Å; P157-K160 VanDerWaalsContact O-N 3.1Å; L158-K160 VanDerWaalsContact C-N 3.35Å; K160-G193 WeakPolarHBondContact O-CA 3.41Å; K160-G193 PolarHBondContact O-N 3.37Å
161I98.3Very high96.2Very high34 Ų3451 Ų5117%0.17428%0.284CS..EExtended strand (participates in β ladder)trans-115.1152.1173.765.2-178.1000110.6L190 R191 V192 V222 Q225 L229I161-L190 HydrophobicContact CB-CD1 4.26Å; I161-R191 VanDerWaalsContact CA-O 3.29Å; I161-R191 WeakPolarHBondContact CA-O 3.3Å; I161-V192 HydrophobicContact CG2-CG1 4.37Å; I161-V192 HydrophobicContact CG2-CG2 4.49Å; I161-V222 HydrophobicContact CG2-CG1 3.8Å; I161-Q225 HydrophobicContact CD1-CB 3.54Å; I161-L229 HydrophobicContact CD1-CD1 3.45Å; I161-L229 VanDerWaalsContact CD1-CD1 3.45Å; I161-L229 HydrophobicContact CD1-CG 4.3Å; I161-L229 HydrophobicContact CG1-CD1 3.77Å
162A97.1Very high96.2Very high22 Ų2251.5 Ų51.518%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-154.9140175.600000112.4K156 R191K156-A162 HydrophobicContact CD-CB 4.38Å; A162-R191 PolarHBondContact N-O 2.85Å; A162-R191 WeakPolarHBondContact O-CB 3.12Å; A162-R191 PolarHBondContact O-N 3.37Å
163I97Very high96.2Very high45 Ų4553.6 Ų53.623%0.23130%0.298CS..EExtended strand (participates in β ladder)trans-75.8142.1164.4-59.6-62.9000109.6R189 L190 Q233I163-R189 CarbonylContact C-O 3.48Å; I163-R189 VanDerWaalsContact CA-O 3.29Å; I163-R189 WeakPolarHBondContact CA-O 3.33Å; I163-L190 HydrophobicContact CD1-CB 3.91Å; I163-L190 HydrophobicContact CD1-CD1 3.81Å; I163-L190 HydrophobicContact CD1-CG 4.43Å; I163-Q233 HydrophobicContact CD1-CG 4.13Å; I163-Q233 HydrophobicContact CG1-CG 4.33Å
164K96.1Very high96.2Very high69 Ų6953 Ų5330%0.329%0.294SS..EExtended strand (participates in β ladder)trans-138.5123.5170.5177.5177.6172.959.30109.4G166 P188 R189K164-G166 VanDerWaalsContact CE-O 3.25Å; K164-G166 WeakPolarHBondContact CE-O 3.43Å; K164-P188 CarbonylContact O-C 3.59Å; K164-P188 WeakPolarHBondContact O-CA 3.41Å; K164-R189 PolarHBondContact N-O 2.59Å; K164-R189 PolarHBondContact O-N 2.99Å
165H94.3Very high96.2Very high120 Ų12051.5 Ų51.556%0.55629%0.287SS*.  trans-80.8120.8170.7-60.3-78.2000109.9
166G91.9Very high96.4Very high10 Ų1052.7 Ų52.710%0.10329%0.286CS..SBendtrans46.2-176.3174.200000118.2K164 D185 R189K164-G166 VanDerWaalsContact CE-O 3.25Å; K164-G166 WeakPolarHBondContact CE-O 3.43Å; G166-D185 CarbonylContact C-O 3.29Å; G166-D185 VanDerWaalsContact C-O 3.29Å; G166-D185 WeakPolarHBondContact CA-O 3.42Å; G166-R189 PolarHBondContact O-NH2 3.26Å
167G93.5Very high96.5Very high23 Ų2350 Ų5024%0.23728%0.275CS..  trans104.5-173.717700000115.9D185 R189G167-D185 VanDerWaalsContact C-OD2 3.26Å; G167-D185 WeakPolarHBondContact CA-OD2 3.22Å; G167-D185 PolarHBondContact N-O 2.96Å; G167-R189 PolarHBondContact O-NH2 2.8Å
168S94.7Very high96.5Very high79 Ų7946.1 Ų46.155%0.55225%0.25SC*.  trans-64.2157.6-172.1870000115.3R170 R189S168-R170 VanDerWaalsContact C-N 3.26Å; S168-R170 PolarHBondContact O-N 3.1Å; S168-R189 PolarHBondContact O-NH1 2.96Å; S168-R189 PolarHBondContact O-NH2 3.44Å
169A94.9Very high96.6Very high15 Ų1546 Ų4612%0.12425%0.25CS..  trans-73-9.417900000115G171 H172 V175 R176A169-G171 PolarHBondContact O-N 3.42Å; A169-H172 WeakPolarHBondContact O-CB 3.31Å; A169-H172 PolarHBondContact O-N 3.5Å; A169-V175 HydrophobicContact CB-CB 4.03Å; A169-V175 HydrophobicContact CB-CG1 3.83Å; A169-R176 HydrophobicContact CB-CB 3.81Å
170R93.2Very high96.6Very high151 Ų15147.9 Ų47.957%0.5725%0.254SS*.THydrogen-bonded Turntrans45.731.7-178-62.8-175.866.9140.41.9115.6D155 S168D155-R170 IonicContact OD2-CZ 3.32Å; D155-R170 IonicContact OD2-NE 2.85Å; D155-R170 PolarHBondContact OD2-NE 2.76Å; D155-R170 IonicContact OD2-NH2 3.2Å; D155-R170 PolarHBondContact OD2-NH2 2.89Å; S168-R170 VanDerWaalsContact C-N 3.26Å; S168-R170 PolarHBondContact O-N 3.1Å
171G93.3Very high96.6Very high47 Ų4742 Ų4249%0.48523%0.229SC..THydrogen-bonded Turntrans91.9-7.7-179.700000115.3A169 N173A169-G171 PolarHBondContact O-N 3.42Å; G171-N173 PolarHBondContact O-N 2.89Å
172H98.2Very high96.6Very high18 Ų1841.4 Ų41.48%0.08323%0.226CC..  trans-73.2118.7175.3-171.1-64000111.2H77 M126 H151 D152 A169 G174 V175 R176H77-H172 AromaticContact CE1-CD2 3.94Å; H77-H172 AromaticContact CE1-CE1 3.88Å; H77-H172 AromaticContact CE1-NE2 3.52Å; H77-H172 AromaticContact ND1-NE2 3.8Å; M126-H172 VanDerWaalsContact SD-CE1 3.58Å; H151-H172 AromaticContact ND1-CD2 3.6Å; H151-H172 AromaticContact ND1-NE2 3.97Å; D152-H172 PolarHBondContact O-CD2 2.88Å; D152-H172 IonicContact OD1-CD2 2.64Å; D152-H172 IonicContact OD1-NE2 3.34Å; D152-H172 PolarHBondContact OD1-NE2 3.06Å; A169-H172 WeakPolarHBondContact O-CB 3.31Å; A169-H172 PolarHBondContact O-N 3.5Å; H172-G174 PolarHBondContact ND1-N 3.1Å; H172-G174 VanDerWaalsContact ND1-N 3.1Å; H172-G174 PolarHBondContact O-N 3.05Å; H172-V175 HydrophobicContact CB-CB 4.33Å; H172-V175 HydrophobicContact CB-CG2 4.23Å; H172-V175 PolarHBondContact ND1-N 3.42Å; H172-R176 WeakPolarHBondContact O-CB 3.45Å; H172-R176 PolarHBondContact O-N 3.01Å
173N98.1Very high96.6Very high50 Ų5047.5 Ų47.527%0.26725%0.251SS..Hα-helixtrans-69-36.5-172.4-70.5-41.1000113.7M126 N127 G171 R176 S177M126-N173 HydrophobicContact CG-CB 4.39Å; N127-N173 HydrophobicContact CB-CB 4.27Å; G171-N173 PolarHBondContact O-N 2.89Å; N173-R176 PolarHBondContact O-N 3.22Å; N173-S177 WeakPolarHBondContact O-CB 3.28Å; N173-S177 PolarHBondContact O-N 3.34Å
174G98.5Very high96.6Very high0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-64-51.1176.100000113.4M126 H172 R176 S177 C178M126-G174 WeakPolarHBondContact O-CA 3.36Å; M126-G174 WeakPolarHBondContact SD-CA 3.43Å; H172-G174 PolarHBondContact ND1-N 3.1Å; H172-G174 VanDerWaalsContact ND1-N 3.1Å; H172-G174 PolarHBondContact O-N 3.05Å; G174-R176 VanDerWaalsContact C-N 3.32Å; G174-R176 PolarHBondContact O-N 2.88Å; G174-S177 VanDerWaalsContact O-CB 3.28Å; G174-S177 WeakPolarHBondContact O-CB 3.3Å; G174-S177 PolarHBondContact O-N 2.86Å; G174-S177 VanDerWaalsContact O-N 3.14Å; G174-C178 PolarHBondContact O-N 3.43Å; G174-C178 PolarHBondContact O-SG 3.34Å
175V98.6Very high96.7Very high2 Ų245.9 Ų45.91%0.01225%0.248CC..Hα-helixtrans-56.3-45.4172.4-179.90000111.7L67 H151 A169 H172 S177 C178 V179L67-V175 HydrophobicContact CD1-CG2 3.89Å; H151-V175 HydrophobicContact CB-CG2 4.47Å; H151-V175 VanDerWaalsContact CD2-CG2 3.47Å; H151-V175 WeakPolarHBondContact CD2-CG2 3.36Å; A169-V175 HydrophobicContact CB-CB 4.03Å; A169-V175 HydrophobicContact CB-CG1 3.83Å; H172-V175 HydrophobicContact CB-CB 4.33Å; H172-V175 HydrophobicContact CB-CG2 4.23Å; H172-V175 PolarHBondContact ND1-N 3.42Å; V175-S177 VanDerWaalsContact C-N 3.31Å; V175-S177 PolarHBondContact O-N 3.31Å; V175-C178 WeakPolarHBondContact O-CB 3.41Å; V175-C178 PolarHBondContact O-N 3.4Å; V175-C178 VanDerWaalsContact O-N 3.16Å; V175-V179 HydrophobicContact CG1-CG2 4.43Å; V175-V179 WeakPolarHBondContact O-CG2 3.26Å; V175-V179 PolarHBondContact O-N 3.33Å
176R98.7Very high96.8Very high92 Ų9243.1 Ų43.135%0.34724%0.239SC..Hα-helixtrans-57.5-45.9175.9-176.5179.7-60.6-171.92.3111.6A169 H172 N173 G174 C178 V179 D180A169-R176 HydrophobicContact CB-CB 3.81Å; H172-R176 WeakPolarHBondContact O-CB 3.45Å; H172-R176 PolarHBondContact O-N 3.01Å; N173-R176 PolarHBondContact O-N 3.22Å; G174-R176 VanDerWaalsContact C-N 3.32Å; G174-R176 PolarHBondContact O-N 2.88Å; R176-C178 VanDerWaalsContact C-N 3.3Å; R176-C178 PolarHBondContact O-N 2.95Å; R176-V179 PolarHBondContact O-N 3.13Å; R176-D180 WeakPolarHBondContact O-CB 3.49Å; R176-D180 VanDerWaalsContact O-CG 3.28Å; R176-D180 PolarHBondContact O-N 2.68Å
177S98.8Very high97.1Very high1 Ų142.8 Ų42.81%0.00724%0.235CC..Hα-helixtrans-57.3-44176.5-169.40000111.6N127 V128 G130 N173 G174 V175 D180 C181N127-S177 VanDerWaalsContact O-CB 3.26Å; N127-S177 WeakPolarHBondContact O-CB 3.16Å; N127-S177 PolarHBondContact O-OG 3.21Å; V128-S177 VanDerWaalsContact CA-OG 3.26Å; V128-S177 WeakPolarHBondContact CA-OG 3.47Å; G130-S177 WeakPolarHBondContact CA-OG 3.31Å; G130-S177 PolarHBondContact N-OG 3.38Å; N173-S177 WeakPolarHBondContact O-CB 3.28Å; N173-S177 PolarHBondContact O-N 3.34Å; G174-S177 VanDerWaalsContact O-CB 3.28Å; G174-S177 WeakPolarHBondContact O-CB 3.3Å; G174-S177 PolarHBondContact O-N 2.86Å; G174-S177 VanDerWaalsContact O-N 3.14Å; V175-S177 VanDerWaalsContact C-N 3.31Å; V175-S177 PolarHBondContact O-N 3.31Å; S177-D180 PolarHBondContact O-N 3.34Å; S177-C181 WeakPolarHBondContact O-CB 3.47Å; S177-C181 PolarHBondContact O-N 2.95Å; S177-C181 PolarHBondContact O-SG 3.32Å
178C98.6Very high97.3Very high0 Ų042.5 Ų42.50%023%0.229CC..Hα-helixtrans-63.2-46.5177.3-60.60000111.7L149 G174 V175 R176 D180 C181 L182 M187L149-C178 HydrophobicContact CD1-CB 3.99Å; G174-C178 PolarHBondContact O-N 3.43Å; G174-C178 PolarHBondContact O-SG 3.34Å; V175-C178 WeakPolarHBondContact O-CB 3.41Å; V175-C178 PolarHBondContact O-N 3.4Å; V175-C178 VanDerWaalsContact O-N 3.16Å; R176-C178 VanDerWaalsContact C-N 3.3Å; R176-C178 PolarHBondContact O-N 2.95Å; C178-D180 VanDerWaalsContact C-N 3.32Å; C178-D180 PolarHBondContact O-N 3.2Å; C178-C181 PolarHBondContact O-N 3.01Å; C178-L182 VanDerWaalsContact O-CB 3.29Å; C178-L182 WeakPolarHBondContact O-CB 3.37Å; C178-L182 WeakPolarHBondContact O-CG 3.39Å; C178-L182 PolarHBondContact O-N 3.38Å; C178-M187 HydrophobicContact CB-CE 3.99Å
179V98.5Very high97.5Very high33 Ų3339.1 Ų39.120%0.220%0.204CC..Hα-helixtrans-59.5-44.5176.5173.30000111.2V175 R176 Q183 T184 D185 M187V175-V179 HydrophobicContact CG1-CG2 4.43Å; V175-V179 WeakPolarHBondContact O-CG2 3.26Å; V175-V179 PolarHBondContact O-N 3.33Å; R176-V179 PolarHBondContact O-N 3.13Å; V179-Q183 WeakPolarHBondContact O-CA 3.46Å; V179-Q183 PolarHBondContact O-N 2.89Å; V179-T184 WeakPolarHBondContact CA-O 3.17Å; V179-T184 PolarHBondContact O-N 3.31Å; V179-D185 HydrophobicContact CG1-CB 4.06Å; V179-D185 HydrophobicContact CG2-CB 3.9Å; V179-M187 HydrophobicContact CG2-CE 4.04Å
180D98.1Very high97.6Very high65 Ų6538.4 Ų38.435%0.34820%0.198SC..Hα-helixtrans-67.4-35.5179.4-70.9-21.2000112.1R176 S177 C178 Q183R176-D180 WeakPolarHBondContact O-CB 3.49Å; R176-D180 VanDerWaalsContact O-CG 3.28Å; R176-D180 PolarHBondContact O-N 2.68Å; S177-D180 PolarHBondContact O-N 3.34Å; C178-D180 VanDerWaalsContact C-N 3.32Å; C178-D180 PolarHBondContact O-N 3.2Å; D180-Q183 PolarHBondContact O-NE2 3.17Å
181C98.3Very high97.9Very high6 Ų632.7 Ų32.74%0.04118%0.177CC..Hα-helixtrans-80.7-37.6-179.8-63.10000112.6N36 L40 G130 A134 S177 C178N36-C181 PolarHBondContact ND2-SG 2.92Å; N36-C181 VanDerWaalsContact ND2-SG 3.4Å; L40-C181 HydrophobicContact CD1-CB 3.95Å; G130-C181 VanDerWaalsContact O-CB 3.32Å; G130-C181 WeakPolarHBondContact O-CB 3.32Å; A134-C181 HydrophobicContact CB-CB 3.87Å; S177-C181 WeakPolarHBondContact O-CB 3.47Å; S177-C181 PolarHBondContact O-N 2.95Å; S177-C181 PolarHBondContact O-SG 3.32Å; C178-C181 PolarHBondContact O-N 3.01Å
182L97.2Very high98.2Very high21 Ų2130.5 Ų30.511%0.1115%0.153CC..Hα-helixtrans-86.2-9.3-179.9-66.2167.2000113.1V133 A134 A137 I147 C178 T184 M187V133-L182 HydrophobicContact CG1-CD1 4.06Å; A134-L182 HydrophobicContact CB-CD2 4.07Å; A137-L182 HydrophobicContact CB-CD2 4.23Å; I147-L182 HydrophobicContact CD1-CD1 3.83Å; I147-L182 HydrophobicContact CD1-CD2 4.22Å; C178-L182 VanDerWaalsContact O-CB 3.29Å; C178-L182 WeakPolarHBondContact O-CB 3.37Å; C178-L182 WeakPolarHBondContact O-CG 3.39Å; C178-L182 PolarHBondContact O-N 3.38Å; L182-T184 HydrophobicContact CB-CG2 4.13Å; L182-T184 PolarHBondContact O-N 3.49Å; L182-M187 HydrophobicContact CB-SD 4.45Å; L182-M187 HydrophobicContact CD1-CE 3.7Å; L182-M187 HydrophobicContact CD1-CG 4.09Å; L182-M187 HydrophobicContact CD1-SD 3.63Å
183Q97.8Very high98.2Very high151 Ų15129.6 Ų29.671%0.70615%0.15SC*.THydrogen-bonded Turntrans5826.4-178.4-61.2-70.3-6000113.8V179 D180V179-Q183 WeakPolarHBondContact O-CA 3.46Å; V179-Q183 PolarHBondContact O-N 2.89Å; D180-Q183 PolarHBondContact O-NE2 3.17Å
184T97.4Very high98.2Very high39 Ų3927.5 Ų27.524%0.23914%0.138CC..  trans-155.7156.9179.7-173.70000110.4P144 V179 L182 V186 M187P144-T184 HydrophobicContact CB-CG2 3.46Å; P144-T184 VanDerWaalsContact CB-CG2 3.46Å; P144-T184 HydrophobicContact CG-CG2 3.68Å; V179-T184 WeakPolarHBondContact CA-O 3.17Å; V179-T184 PolarHBondContact O-N 3.31Å; L182-T184 HydrophobicContact CB-CG2 4.13Å; L182-T184 PolarHBondContact O-N 3.49Å; T184-V186 HydrophobicContact CG2-CG2 3.94Å; T184-V186 WeakPolarHBondContact OG1-CG1 3.49Å; T184-M187 HydrophobicContact CG2-SD 3.98Å; T184-M187 WeakPolarHBondContact O-CE 3.36Å
185D97.3Very high98.2Very high41 Ų4128.2 Ų28.222%0.21915%0.146CC..  trans-117.518.4179.373.6-19.4000113.3G166 G167 V179 M187G166-D185 CarbonylContact C-O 3.29Å; G166-D185 VanDerWaalsContact C-O 3.29Å; G166-D185 WeakPolarHBondContact CA-O 3.42Å; G167-D185 VanDerWaalsContact C-OD2 3.26Å; G167-D185 WeakPolarHBondContact CA-OD2 3.22Å; G167-D185 PolarHBondContact N-O 2.96Å; V179-D185 HydrophobicContact CG1-CB 4.06Å; V179-D185 HydrophobicContact CG2-CB 3.9Å; D185-M187 VanDerWaalsContact C-N 3.34Å; D185-M187 PolarHBondContact O-N 3.24Å
186V97.8Very high98.1Very high61 Ų6135.1 Ų35.137%0.3717%0.172SC..  trans-75-18.1-175.5-630000114.4P144 T184 P188P144-V186 HydrophobicContact CB-CG2 3.69Å; T184-V186 HydrophobicContact CG2-CG2 3.94Å; T184-V186 WeakPolarHBondContact OG1-CG1 3.49Å; V186-P188 WeakPolarHBondContact O-CD 3.47Å
187M97.8Very high97.9Very high4 Ų432 Ų322%0.0216%0.164CC..  trans-51.4121.9-176.2-63.779.274.700111.4P144 I147 L149 C178 V179 L182 T184 D185P144-M187 HydrophobicContact CB-CG 4.45Å; P144-M187 HydrophobicContact CB-SD 4.03Å; P144-M187 WeakPolarHBondContact O-CG 3.43Å; I147-M187 HydrophobicContact CB-CG 3.95Å; I147-M187 HydrophobicContact CG2-CG 4.3Å; I147-M187 WeakPolarHBondContact O-CB 3.42Å; L149-M187 HydrophobicContact CD1-CB 4.17Å; L149-M187 HydrophobicContact CD1-CE 4.36Å; L149-M187 HydrophobicContact CG-CB 4.22Å; C178-M187 HydrophobicContact CB-CE 3.99Å; V179-M187 HydrophobicContact CG2-CE 4.04Å; L182-M187 HydrophobicContact CB-SD 4.45Å; L182-M187 HydrophobicContact CD1-CE 3.7Å; L182-M187 HydrophobicContact CD1-CG 4.09Å; L182-M187 HydrophobicContact CD1-SD 3.63Å; T184-M187 HydrophobicContact CG2-SD 3.98Å; T184-M187 WeakPolarHBondContact O-CE 3.36Å; D185-M187 VanDerWaalsContact C-N 3.34Å; D185-M187 PolarHBondContact O-N 3.24Å
188P97.6Very high97.4Very high16 Ų1636.2 Ų36.210%0.10420%0.198CC..  trans-62.1153169.725.1-33.9000111.3I147 L148 L149 K164 V186I147-P188 WeakPolarHBondContact O-CD 3.47Å; L148-P188 WeakPolarHBondContact CA-O 3.22Å; L148-P188 HydrophobicContact CD1-CB 3.93Å; L148-P188 HydrophobicContact CD1-CG 4.16Å; L149-P188 PolarHBondContact N-O 2.79Å; K164-P188 CarbonylContact O-C 3.59Å; K164-P188 WeakPolarHBondContact O-CA 3.41Å; V186-P188 WeakPolarHBondContact O-CD 3.47Å
189R98.3Very high97Very high8 Ų840 Ų403%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-137.1125.1-171.5-73.2174.8-79.3-177.9-7.7112.4L149 I163 K164 G166 G167 S168 R191L149-R189 HydrophobicContact CB-CG 4.11Å; L149-R189 HydrophobicContact CD1-CG 4.5Å; L149-R189 CarbonylContact O-C 3.57Å; L149-R189 VanDerWaalsContact O-CA 3.23Å; L149-R189 WeakPolarHBondContact O-CA 3.48Å; I163-R189 CarbonylContact C-O 3.48Å; I163-R189 VanDerWaalsContact CA-O 3.29Å; I163-R189 WeakPolarHBondContact CA-O 3.33Å; K164-R189 PolarHBondContact N-O 2.59Å; K164-R189 PolarHBondContact O-N 2.99Å; G166-R189 PolarHBondContact O-NH2 3.26Å; G167-R189 PolarHBondContact O-NH2 2.8Å; S168-R189 PolarHBondContact O-NH1 2.96Å; S168-R189 PolarHBondContact O-NH2 3.44Å; R189-R191 HydrophobicContact CB-CG 4.23Å
190L98.6Very high96.6Very high0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-85.8114.2159.717861.9000109.1V83 L149 V150 H151 I161 I163 L229 L230V83-L190 HydrophobicContact CG1-CD2 4.28Å; L149-L190 PolarHBondContact O-N 2.95Å; V150-L190 WeakPolarHBondContact CA-O 3.01Å; V150-L190 HydrophobicContact CG1-CB 4.21Å; V150-L190 HydrophobicContact CG1-CD2 4.01Å; V150-L190 HydrophobicContact CG1-CG 4.21Å; V150-L190 HydrophobicContact CG2-CB 4.25Å; H151-L190 PolarHBondContact N-O 3.22Å; H151-L190 VanDerWaalsContact N-O 3.13Å; I161-L190 HydrophobicContact CB-CD1 4.26Å; I163-L190 HydrophobicContact CD1-CB 3.91Å; I163-L190 HydrophobicContact CD1-CD1 3.81Å; I163-L190 HydrophobicContact CD1-CG 4.43Å; L190-L229 HydrophobicContact CD1-CD1 4.11Å; L190-L230 HydrophobicContact CB-CD2 4.19Å; L190-L230 HydrophobicContact CD2-CD1 4.13Å; L190-L230 HydrophobicContact CD2-CD2 3.78Å; L190-L230 HydrophobicContact CD2-CG 3.78Å
191R98.6Very high96.4Very high32 Ų3248.9 Ų48.912%0.12128%0.276CS..EExtended strand (participates in β ladder)trans-101.2116.7-177.9-61.1-174.7-63.7161.1-6.5109.5E153 I161 A162 R189E153-R191 HydrophobicContact CB-CB 3.96Å; E153-R191 HydrophobicContact CG-CB 4.32Å; E153-R191 WeakPolarHBondContact OE2-CD 3.47Å; E153-R191 IonicContact OE2-CZ 2.72Å; E153-R191 IonicContact OE2-NE 3.83Å; E153-R191 IonicContact OE2-NH1 3.63Å; E153-R191 PolarHBondContact OE2-NH1 3.19Å; I161-R191 VanDerWaalsContact CA-O 3.29Å; I161-R191 WeakPolarHBondContact CA-O 3.3Å; A162-R191 PolarHBondContact N-O 2.85Å; A162-R191 WeakPolarHBondContact O-CB 3.12Å; A162-R191 PolarHBondContact O-N 3.37Å; R189-R191 HydrophobicContact CB-CG 4.23Å
192V98.8Very high96.3Very high0 Ų051.5 Ų51.50%029%0.294CS..EExtended strand (participates in β ladder)trans-98.9114.1-179.8-176.50000109.3V79 V83 V150 H151 D152 E153 I161 I194 V222V79-V192 HydrophobicContact CG1-CB 3.99Å; V79-V192 HydrophobicContact CG1-CG1 4.22Å; V79-V192 HydrophobicContact CG2-CB 4.4Å; V79-V192 HydrophobicContact CG2-CG1 3.82Å; V83-V192 HydrophobicContact CG2-CG2 4.1Å; V150-V192 HydrophobicContact CG1-CG2 4.24Å; H151-V192 PolarHBondContact O-N 3.33Å; D152-V192 CarbonylContact C-O 3.59Å; D152-V192 WeakPolarHBondContact CA-O 3.39Å; E153-V192 PolarHBondContact N-O 2.96Å; I161-V192 HydrophobicContact CG2-CG1 4.37Å; I161-V192 HydrophobicContact CG2-CG2 4.49Å; V192-I194 PolarHBondContact O-N 2.92Å; V192-V222 HydrophobicContact CG1-CG1 3.59Å
193G98.6Very high96.3Very high0 Ų053.2 Ų53.20%031%0.305CS..EExtended strand (participates in β ladder)trans-61132.9179.200000112.5E153 K156 L158 K160E153-G193 WeakPolarHBondContact O-CA 3.37Å; K156-G193 CarbonylContact O-C 3.56Å; K156-G193 WeakPolarHBondContact O-CA 3.35Å; L158-G193 VanDerWaalsContact CA-O 3.31Å; L158-G193 WeakPolarHBondContact CA-O 3.24Å; L158-G193 WeakPolarHBondContact CD1-O 3.29Å; K160-G193 WeakPolarHBondContact O-CA 3.41Å; K160-G193 PolarHBondContact O-N 3.37Å
194I98.4Very high96.2Very high5 Ų552.3 Ų52.33%0.02630%0.301CS..  trans-126.60174.361.3158.3000112.9R76 D152 E153 L154 K156 V192 H206 V207 F211R76-I194 HydrophobicContact CB-CB 4.35Å; R76-I194 HydrophobicContact CB-CD1 3.93Å; R76-I194 HydrophobicContact CB-CG2 4.17Å; R76-I194 HydrophobicContact CG-CB 4.33Å; R76-I194 HydrophobicContact CG-CG2 4.37Å; D152-I194 HydrophobicContact CB-CD1 3.74Å; D152-I194 HydrophobicContact CB-CG1 3.99Å; D152-I194 HydrophobicContact CB-CG2 3.73Å; D152-I194 WeakPolarHBondContact OD2-CD1 3.41Å; E153-I194 PolarHBondContact O-N 3.17Å; L154-I194 HydrophobicContact CD2-CD1 3.71Å; L154-I194 HydrophobicContact CD2-CG1 4.13Å; L154-I194 HydrophobicContact CG-CD1 4.31Å; K156-I194 PolarHBondContact O-N 3.46Å; K156-I194 VanDerWaalsContact O-N 3.1Å; V192-I194 PolarHBondContact O-N 2.92Å; I194-H206 PolarHBondContact O-NE2 3.28Å; I194-V207 HydrophobicContact CD1-CG1 3.84Å; I194-F211 HydrophobicContact CG2-CE1 4.23Å; I194-F211 HydrophobicContact CG2-CZ 4.02Å
195G97.6Very high96.2Very high16 Ų1659 Ų5917%0.16532%0.322CS..  trans65.1167.8-174.800000113.7L154 K156 H206L154-G195 WeakPolarHBondContact CD2-O 3.48Å; L154-G195 CarbonylContact O-C 3.51Å; L154-G195 WeakPolarHBondContact O-CA 3.32Å; K156-G195 WeakPolarHBondContact O-CA 3.36Å; K156-G195 PolarHBondContact O-N 3.49Å; G195-H206 PolarHBondContact O-NE2 3.08Å
196R96.8Very high96.2Very high146 Ų14657.8 Ų57.855%0.55132%0.315SS*.PPolyproline II helixtrans-85.8149167.3-73.1-178.3172.8-88.3-3.7109.7L154 D155 A198L154-R196 HydrophobicContact CB-CG 4.11Å; L154-R196 WeakPolarHBondContact O-CG 3.49Å; L154-R196 PolarHBondContact O-N 2.8Å; D155-R196 IonicContact OD1-CZ 3.86Å; D155-R196 IonicContact OD1-NE 3.59Å; D155-R196 PolarHBondContact OD1-NE 2.79Å; D155-R196 IonicContact OD1-NH2 3.23Å; D155-R196 PolarHBondContact OD1-NH2 3.32Å; D155-R196 IonicContact OD2-NH2 2.79Å; R196-A198 PolarHBondContact O-N 3.29Å
197P95.3Very high96.2Very high28 Ų2855.4 Ų55.418%0.18230%0.301CS..PPolyproline II helixtrans-58.7140.117321.4-29.7000110.9T201 V203 H206P197-T201 HydrophobicContact CB-CG2 4.04Å; P197-T201 WeakPolarHBondContact CB-O 3.29Å; P197-T201 VanDerWaalsContact CG-O 3.32Å; P197-T201 WeakPolarHBondContact CG-O 3.35Å; P197-V203 HydrophobicContact CG-CG2 4.23Å; P197-H206 HydrophobicContact CB-CB 3.83Å; P197-H206 HydrophobicContact CG-CB 3.9Å
198A87.8Confident96.2Very high89 Ų8959.1 Ų59.174%0.73632%0.32SS*.PPolyproline II helixtrans-80.8152.416800000110.9R196R196-A198 PolarHBondContact O-N 3.29Å
199G89.9Confident96.2Very high80 Ų8060.4 Ų60.483%0.82533%0.329SS*.THydrogen-bonded Turntrans66.3-135.7173.700000113.9
200K91.1Very high96.2Very high220 Ų22067.8 Ų67.896%0.95736%0.357SS*.THydrogen-bonded Turntrans-93.93-172.1-62.9-177.5-179.3177.50114.3S202K200-S202 PolarHBondContact O-N 3.45Å
201T94.1Very high96.2Very high64 Ų6468.4 Ų68.439%0.39336%0.36SS..  trans-68.8128.7-178.7-62.60000110.3P197 R205 H206P197-T201 HydrophobicContact CB-CG2 4.04Å; P197-T201 WeakPolarHBondContact CB-O 3.29Å; P197-T201 VanDerWaalsContact CG-O 3.32Å; P197-T201 WeakPolarHBondContact CG-O 3.35Å; T201-R205 HydrophobicContact CG2-CB 4.24Å; T201-R205 HydrophobicContact CG2-CG 4.33Å; T201-H206 HydrophobicContact CG2-CB 4.36Å
202S96.3Very high96.1Very high61 Ų6170 Ų7043%0.42737%0.373SS..  trans-68.5150.6176.370.40000111.1K200 E204 R205 H206K200-S202 PolarHBondContact O-N 3.45Å; S202-E204 PolarHBondContact O-N 2.83Å; S202-R205 PolarHBondContact O-N 3.06Å; S202-R205 WeakPolarHBondContact OG-CB 3.45Å; S202-R205 PolarHBondContact OG-N 3.48Å; S202-H206 WeakPolarHBondContact O-CB 3.35Å; S202-H206 PolarHBondContact O-N 3.3Å
203V96.6Very high96Very high57 Ų5774.8 Ų74.835%0.34540%0.402SS..Hα-helixtrans-56.9-40.4175171.70000111.2L154 P197 R205 H206 V207L154-V203 HydrophobicContact CD1-CG1 3.42Å; L154-V203 VanDerWaalsContact CD1-CG1 3.42Å; L154-V203 HydrophobicContact CD2-CG1 4.23Å; L154-V203 HydrophobicContact CG-CG1 4.48Å; P197-V203 HydrophobicContact CG-CG2 4.23Å; V203-R205 PolarHBondContact O-N 3.06Å; V203-H206 WeakPolarHBondContact O-CB 3.44Å; V203-H206 PolarHBondContact O-N 3.37Å; V203-V207 HydrophobicContact CG1-CG1 4.32Å; V203-V207 WeakPolarHBondContact O-CG1 3.38Å; V203-V207 WeakPolarHBondContact O-CG2 3.19Å; V203-V207 PolarHBondContact O-N 2.86Å
204E95.9Very high95.9Very high131 Ų13180.6 Ų80.661%0.61243%0.43SS*.Hα-helixtrans-61.1-45.5178.8-64.7177159.900111.7S202 V207 L208S202-E204 PolarHBondContact O-N 2.83Å; E204-V207 WeakPolarHBondContact O-CG2 3.43Å; E204-L208 WeakPolarHBondContact O-CB 3.34Å; E204-L208 WeakPolarHBondContact O-CG 3.32Å; E204-L208 PolarHBondContact O-N 3.06Å
205R96.8Very high95.9Very high179 Ų17982.3 Ų82.368%0.67544%0.438SS*.Hα-helixtrans-67.1-38.8176-177.1177.8-73.5168.6-3.7111.5T201 S202 V203 L208 S209T201-R205 HydrophobicContact CG2-CB 4.24Å; T201-R205 HydrophobicContact CG2-CG 4.33Å; S202-R205 PolarHBondContact O-N 3.06Å; S202-R205 WeakPolarHBondContact OG-CB 3.45Å; S202-R205 PolarHBondContact OG-N 3.48Å; V203-R205 PolarHBondContact O-N 3.06Å; R205-L208 PolarHBondContact O-N 3.19Å; R205-S209 WeakPolarHBondContact O-CB 3.4Å; R205-S209 PolarHBondContact O-N 3.29Å; R205-S209 VanDerWaalsContact O-N 3.09Å
206H97.6Very high95.9Very high17 Ų1784.9 Ų84.98%0.07945%0.445CS..Hα-helixtrans-58.2-55.9177.9-17668.3000111.4R76 I194 G195 P197 T201 S202 V203 L208 S209R76-H206 WeakPolarHBondContact CD-O 3.41Å; R76-H206 PolarHBondContact NE-CE1 3.42Å; R76-H206 VanDerWaalsContact NE-CE1 3.29Å; I194-H206 PolarHBondContact O-NE2 3.28Å; G195-H206 PolarHBondContact O-NE2 3.08Å; P197-H206 HydrophobicContact CB-CB 3.83Å; P197-H206 HydrophobicContact CG-CB 3.9Å; T201-H206 HydrophobicContact CG2-CB 4.36Å; S202-H206 WeakPolarHBondContact O-CB 3.35Å; S202-H206 PolarHBondContact O-N 3.3Å; V203-H206 WeakPolarHBondContact O-CB 3.44Å; V203-H206 PolarHBondContact O-N 3.37Å; H206-L208 PolarHBondContact O-N 3.24Å; H206-S209 PolarHBondContact O-N 3.22Å; H206-S209 PolarHBondContact O-OG 2.91Å
207V97.9Very high95.8Very high11 Ų1184.6 Ų84.67%0.06745%0.448CS..Hα-helixtrans-64.2-32.8-176.9-57.60000111.9R76 H77 L154 I194 V203 E204 S209R76-V207 WeakPolarHBondContact CB-O 3.5Å; R76-V207 PolarHBondContact N-O 3.46Å; H77-V207 HydrophobicContact CB-CB 3.93Å; H77-V207 HydrophobicContact CB-CG2 4.24Å; H77-V207 WeakPolarHBondContact CB-O 3.28Å; H77-V207 PolarHBondContact N-O 3.44Å; L154-V207 HydrophobicContact CD2-CG1 3.98Å; I194-V207 HydrophobicContact CD1-CG1 3.84Å; V203-V207 HydrophobicContact CG1-CG1 4.32Å; V203-V207 WeakPolarHBondContact O-CG1 3.38Å; V203-V207 WeakPolarHBondContact O-CG2 3.19Å; V203-V207 PolarHBondContact O-N 2.86Å; E204-V207 WeakPolarHBondContact O-CG2 3.43Å; V207-S209 VanDerWaalsContact C-N 3.28Å; V207-S209 PolarHBondContact O-N 3.35Å
208L97.7Very high96Very high82 Ų8286.4 Ų86.443%0.42946%0.458SS..Hα-helixtrans-79.6-7177.7-64.9178.7000114.2M72 T75 E204 R205 H206M72-L208 HydrophobicContact CE-CD2 3.45Å; M72-L208 VanDerWaalsContact CE-CD2 3.45Å; M72-L208 HydrophobicContact SD-CD2 4.19Å; T75-L208 VanDerWaalsContact CG2-O 3.22Å; T75-L208 WeakPolarHBondContact CG2-O 3.49Å; E204-L208 WeakPolarHBondContact O-CB 3.34Å; E204-L208 WeakPolarHBondContact O-CG 3.32Å; E204-L208 PolarHBondContact O-N 3.06Å; R205-L208 PolarHBondContact O-N 3.19Å; H206-L208 PolarHBondContact O-N 3.24Å
209S97.8Very high96.5Very high42 Ų4282.4 Ų82.429%0.29443%0.425SS..SBendtrans-86.4148.3178.866.90000112.1T75 R76 R205 H206 V207T75-S209 WeakPolarHBondContact CA-O 3.4Å; R76-S209 PolarHBondContact N-O 2.93Å; R76-S209 PolarHBondContact NH1-O 2.88Å; R76-S209 VanDerWaalsContact NH1-O 3.13Å; R76-S209 PolarHBondContact NH1-OG 3.11Å; R205-S209 WeakPolarHBondContact O-CB 3.4Å; R205-S209 PolarHBondContact O-N 3.29Å; R205-S209 VanDerWaalsContact O-N 3.09Å; H206-S209 PolarHBondContact O-N 3.22Å; H206-S209 PolarHBondContact O-OG 2.91Å; V207-S209 VanDerWaalsContact C-N 3.28Å; V207-S209 PolarHBondContact O-N 3.35Å
210R98.3Very high96.8Very high163 Ų16384.9 Ų84.962%0.61542%0.415SS*.BIsolated β-bridgetrans-68.7148.9174.1-69.3179.2174.8-94-6.6111.1E73 G74 T75 R76E73-R210 VanDerWaalsContact O-CZ 3.25Å; E73-R210 PolarHBondContact O-NH1 3.18Å; E73-R210 PolarHBondContact O-NH2 2.94Å; G74-R210 VanDerWaalsContact O-CA 3.31Å; G74-R210 WeakPolarHBondContact O-CA 3.46Å; T75-R210 HydrophobicContact CG2-CG 4.23Å; R76-R210 VanDerWaalsContact NH1-C 3.33Å; R76-R210 PolarHBondContact NH1-O 3.15Å
211F98Very high97.1Very high13 Ų1376.7 Ų76.76%0.05739%0.388CS..PPolyproline II helixtrans-62.5139.6168.9-66.8-82.4000110.1G74 R76 V79 L158 I194 E215 Q216 L219G74-F211 WeakPolarHBondContact O-CD2 3.46Å; G74-F211 PolarHBondContact O-N 3.21Å; R76-F211 HydrophobicContact CB-CE2 4.48Å; R76-F211 HydrophobicContact CB-CZ 4.18Å; R76-F211 HydrophobicContact CG-CD1 3.98Å; R76-F211 HydrophobicContact CG-CD2 4.45Å; R76-F211 HydrophobicContact CG-CE1 3.64Å; R76-F211 HydrophobicContact CG-CE2 4.13Å; R76-F211 HydrophobicContact CG-CG 4.4Å; R76-F211 HydrophobicContact CG-CZ 3.73Å; V79-F211 HydrophobicContact CB-CE2 4.29Å; V79-F211 HydrophobicContact CB-CZ 4.26Å; V79-F211 HydrophobicContact CG2-CE2 4.22Å; V79-F211 HydrophobicContact CG2-CZ 4.08Å; L158-F211 HydrophobicContact CD1-CE1 4Å; L158-F211 HydrophobicContact CD2-CD1 4.22Å; L158-F211 HydrophobicContact CD2-CE1 4.26Å; I194-F211 HydrophobicContact CG2-CE1 4.23Å; I194-F211 HydrophobicContact CG2-CZ 4.02Å; F211-E215 VanDerWaalsContact CA-OE2 3.23Å; F211-E215 WeakPolarHBondContact CA-OE2 3.49Å; F211-E215 HydrophobicContact CB-CB 3.96Å; F211-E215 HydrophobicContact CD1-CB 3.97Å; F211-E215 HydrophobicContact CG-CB 4.46Å; F211-Q216 HydrophobicContact CB-CG 4.15Å; F211-L219 HydrophobicContact CD2-CD2 3.69Å; F211-L219 HydrophobicContact CE2-CD1 4.47Å; F211-L219 HydrophobicContact CE2-CD2 3.81Å; F211-L219 HydrophobicContact CG-CD2 4.18Å; F211-L219 HydrophobicContact CZ-CD1 4.33Å; F211-L219 HydrophobicContact CZ-CD2 4.38Å
212T97.4Very high97.3Very high65 Ų6573.8 Ų73.840%0.39937%0.37SS..PPolyproline II helixtrans-69.4166.2173.577.50000110.9E214 E215 Q216T212-E214 PolarHBondContact O-N 3.04Å; T212-E214 PolarHBondContact OG1-N 3.25Å; T212-E214 PolarHBondContact OG1-OE2 2.93Å; T212-E214 VanDerWaalsContact OG1-OE2 3.06Å; T212-E215 PolarHBondContact N-OE2 3.06Å; T212-E215 PolarHBondContact O-N 2.98Å; T212-E215 VanDerWaalsContact O-N 3.12Å; T212-E215 PolarHBondContact OG1-N 3.49Å; T212-Q216 VanDerWaalsContact O-CG 3.26Å; T212-Q216 WeakPolarHBondContact O-CG 3.43Å; T212-Q216 PolarHBondContact O-N 2.98Å
213T96.8Very high97.4Very high101 Ų10172.6 Ų72.662%0.6236%0.359SS*.Hα-helixtrans-55.9-37.9177-530000112.5Q216 K217T213-Q216 PolarHBondContact O-N 3.1Å; T213-K217 PolarHBondContact O-N 3.41Å
214E96.3Very high97.5Very high122 Ų12273.2 Ų73.257%0.5736%0.363SS*.Hα-helixtrans-70.7-42.1177.6-61.366.9-143.400111.3T212 Q216 K217T212-E214 PolarHBondContact O-N 3.04Å; T212-E214 PolarHBondContact OG1-N 3.25Å; T212-E214 PolarHBondContact OG1-OE2 2.93Å; T212-E214 VanDerWaalsContact OG1-OE2 3.06Å; E214-Q216 VanDerWaalsContact C-N 3.31Å; E214-Q216 PolarHBondContact O-N 3.48Å; E214-K217 PolarHBondContact O-N 3.43Å
215E97.8Very high97.6Very high42 Ų4271.4 Ų71.420%0.19635%0.354CS..Hα-helixtrans-65.5-34.8175.4-71.9175.4141.400111.9R76 L158 F211 T212 K217 V218 L219R76-E215 IonicContact CZ-OE1 3.93Å; R76-E215 IonicContact CZ-OE2 3.8Å; R76-E215 IonicContact NE-OE1 2.7Å; R76-E215 IonicContact NH2-OE1 3.19Å; R76-E215 PolarHBondContact NH2-OE1 2.92Å; R76-E215 IonicContact NH2-OE2 3.85Å; R76-E215 PolarHBondContact NH2-OE2 3.28Å; L158-E215 HydrophobicContact CD2-CB 3.61Å; L158-E215 HydrophobicContact CD2-CG 3.85Å; F211-E215 VanDerWaalsContact CA-OE2 3.23Å; F211-E215 WeakPolarHBondContact CA-OE2 3.49Å; F211-E215 HydrophobicContact CB-CB 3.96Å; F211-E215 HydrophobicContact CD1-CB 3.97Å; F211-E215 HydrophobicContact CG-CB 4.46Å; T212-E215 PolarHBondContact N-OE2 3.06Å; T212-E215 PolarHBondContact O-N 2.98Å; T212-E215 VanDerWaalsContact O-N 3.12Å; T212-E215 PolarHBondContact OG1-N 3.49Å; E215-K217 VanDerWaalsContact C-N 3.3Å; E215-K217 PolarHBondContact O-N 3Å; E215-V218 CarbonylContact O-C 3.6Å; E215-V218 PolarHBondContact O-N 2.97Å; E215-V218 VanDerWaalsContact O-N 3.12Å; E215-L219 WeakPolarHBondContact O-CB 3.46Å; E215-L219 PolarHBondContact O-N 3.07Å
216Q97.1Very high97.7Very high69 Ų6962.9 Ų62.932%0.32232%0.322SS..Hα-helixtrans-59.6-39.8176.6-71.7-71.3000111.8F211 T212 T213 E214 V218 L219 E220F211-Q216 HydrophobicContact CB-CG 4.15Å; T212-Q216 VanDerWaalsContact O-CG 3.26Å; T212-Q216 WeakPolarHBondContact O-CG 3.43Å; T212-Q216 PolarHBondContact O-N 2.98Å; T213-Q216 PolarHBondContact O-N 3.1Å; E214-Q216 VanDerWaalsContact C-N 3.31Å; E214-Q216 PolarHBondContact O-N 3.48Å; Q216-V218 VanDerWaalsContact C-N 3.28Å; Q216-V218 PolarHBondContact O-N 3.37Å; Q216-L219 WeakPolarHBondContact O-CA 3.32Å; Q216-L219 WeakPolarHBondContact O-CB 3.2Å; Q216-L219 PolarHBondContact O-N 2.79Å; Q216-E220 PolarHBondContact O-N 3.48Å
217K96.5Very high97.8Very high141 Ų14162.2 Ų62.261%0.61332%0.319SS*.Hα-helixtrans-59.7-39.4175-63.1174.5-176.5177.50112.1T213 E214 E215T213-K217 PolarHBondContact O-N 3.41Å; E214-K217 PolarHBondContact O-N 3.43Å; E215-K217 VanDerWaalsContact C-N 3.3Å; E215-K217 PolarHBondContact O-N 3Å
218V97.9Very high97.7Very high65 Ų6565.2 Ų65.239%0.39434%0.335SS..Hα-helixtrans-73.1-37.4175.1-174.90000110.6L158 E215 Q216 E220 A221 V222L158-V218 HydrophobicContact CD2-CB 4.02Å; L158-V218 HydrophobicContact CD2-CG1 4.24Å; L158-V218 HydrophobicContact CG-CB 4.22Å; L158-V218 HydrophobicContact CG-CG1 3.89Å; E215-V218 CarbonylContact O-C 3.6Å; E215-V218 PolarHBondContact O-N 2.97Å; E215-V218 VanDerWaalsContact O-N 3.12Å; Q216-V218 VanDerWaalsContact C-N 3.28Å; Q216-V218 PolarHBondContact O-N 3.37Å; V218-E220 VanDerWaalsContact C-N 3.31Å; V218-E220 PolarHBondContact O-N 2.91Å; V218-A221 PolarHBondContact O-N 2.8Å; V218-V222 HydrophobicContact CG1-CG2 4.45Å; V218-V222 WeakPolarHBondContact O-CG2 3.43Å; V218-V222 PolarHBondContact O-N 2.94Å; V218-V222 VanDerWaalsContact O-N 3.1Å
219L97.9Very high97.7Very high6 Ų664.3 Ų64.33%0.03133%0.33CS..Hα-helixtrans-61.8-38.3-179.7-175.461.8000111.6V79 L158 F211 E215 Q216 A221 V222 L223V79-L219 HydrophobicContact CG2-CD1 3.87Å; L158-L219 HydrophobicContact CD1-CD1 4.43Å; F211-L219 HydrophobicContact CD2-CD2 3.69Å; F211-L219 HydrophobicContact CE2-CD1 4.47Å; F211-L219 HydrophobicContact CE2-CD2 3.81Å; F211-L219 HydrophobicContact CG-CD2 4.18Å; F211-L219 HydrophobicContact CZ-CD1 4.33Å; F211-L219 HydrophobicContact CZ-CD2 4.38Å; E215-L219 WeakPolarHBondContact O-CB 3.46Å; E215-L219 PolarHBondContact O-N 3.07Å; Q216-L219 WeakPolarHBondContact O-CA 3.32Å; Q216-L219 WeakPolarHBondContact O-CB 3.2Å; Q216-L219 PolarHBondContact O-N 2.79Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 3.29Å; L219-V222 HydrophobicContact CD1-CB 4.3Å; L219-V222 HydrophobicContact CD1-CG1 4.2Å; L219-V222 CarbonylContact O-C 3.54Å; L219-V222 WeakPolarHBondContact O-CA 3.21Å; L219-V222 WeakPolarHBondContact O-CB 3.44Å; L219-V222 PolarHBondContact O-N 3.44Å; L219-L223 HydrophobicContact CD1-CD2 4.39Å; L219-L223 HydrophobicContact CD1-CG 4.34Å; L219-L223 HydrophobicContact CG-CD1 4.39Å; L219-L223 HydrophobicContact CG-CG 4.2Å; L219-L223 WeakPolarHBondContact O-CG 3.42Å; L219-L223 PolarHBondContact O-N 3.3Å
220E97.4Very high97.6Very high131 Ų13162.3 Ų62.361%0.61232%0.316SS*.Hα-helixtrans-53.4-49.1175.6-73.4172-16600112Q216 V218 V222 L223 V224Q216-E220 PolarHBondContact O-N 3.48Å; V218-E220 VanDerWaalsContact C-N 3.31Å; V218-E220 PolarHBondContact O-N 2.91Å; E220-V222 VanDerWaalsContact C-N 3.35Å; E220-V222 PolarHBondContact O-N 3.23Å; E220-L223 PolarHBondContact O-N 3.22Å; E220-V224 PolarHBondContact O-N 3.23Å
221A97.6Very high97.5Very high49 Ų4956.5 Ų56.541%0.40530%0.297SS..Hα-helixtrans-64.9-38.8175.700000112.2V218 L219 L223 V224 Q225V218-A221 PolarHBondContact O-N 2.8Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 3.29Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 2.95Å; A221-V224 PolarHBondContact O-N 3.46Å; A221-Q225 VanDerWaalsContact O-CG 3.31Å; A221-Q225 WeakPolarHBondContact O-CG 3.22Å; A221-Q225 PolarHBondContact O-N 3.43Å
222V98.4Very high97.2Very high2 Ų258.4 Ų58.41%0.01231%0.312CS..Hα-helixtrans-61.8-40.5175.8167.30000111.7L158 G159 I161 V192 V218 L219 E220 S226L158-V222 HydrophobicContact CD1-CG2 4.3Å; G159-V222 VanDerWaalsContact CA-CG2 3.45Å; I161-V222 HydrophobicContact CG2-CG1 3.8Å; V192-V222 HydrophobicContact CG1-CG1 3.59Å; V218-V222 HydrophobicContact CG1-CG2 4.45Å; V218-V222 WeakPolarHBondContact O-CG2 3.43Å; V218-V222 PolarHBondContact O-N 2.94Å; V218-V222 VanDerWaalsContact O-N 3.1Å; L219-V222 HydrophobicContact CD1-CB 4.3Å; L219-V222 HydrophobicContact CD1-CG1 4.2Å; L219-V222 CarbonylContact O-C 3.54Å; L219-V222 WeakPolarHBondContact O-CA 3.21Å; L219-V222 WeakPolarHBondContact O-CB 3.44Å; L219-V222 PolarHBondContact O-N 3.44Å; E220-V222 VanDerWaalsContact C-N 3.35Å; E220-V222 PolarHBondContact O-N 3.23Å; V222-S226 WeakPolarHBondContact O-CB 3.41Å; V222-S226 PolarHBondContact O-N 3.43Å; V222-S226 PolarHBondContact O-OG 3.25Å
223L98.6Very high96.9Very high37 Ų3757.3 Ų57.319%0.19430%0.302CS..Hα-helixtrans-63.8-45.9178.3-68.4177.5000110.6A82 V83 A86 L219 E220 A221 S226 V227A82-L223 HydrophobicContact CB-CD2 4.18Å; V83-L223 HydrophobicContact CB-CD2 4.38Å; V83-L223 HydrophobicContact CG2-CD2 3.71Å; A86-L223 HydrophobicContact CB-CB 4.12Å; L219-L223 HydrophobicContact CD1-CD2 4.39Å; L219-L223 HydrophobicContact CD1-CG 4.34Å; L219-L223 HydrophobicContact CG-CD1 4.39Å; L219-L223 HydrophobicContact CG-CG 4.2Å; L219-L223 WeakPolarHBondContact O-CG 3.42Å; L219-L223 PolarHBondContact O-N 3.3Å; E220-L223 PolarHBondContact O-N 3.22Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 2.95Å; L223-S226 WeakPolarHBondContact O-CB 3.49Å; L223-S226 PolarHBondContact O-N 3.21Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 2.65Å
224V98.3Very high96.6Very high70 Ų7052.7 Ų52.742%0.42427%0.274SS..Hα-helixtrans-59.2-53176.6174.50000111E220 A221 S226 V227 D228E220-V224 PolarHBondContact O-N 3.23Å; A221-V224 PolarHBondContact O-N 3.46Å; V224-S226 VanDerWaalsContact C-N 3.27Å; V224-S226 PolarHBondContact O-N 2.92Å; V224-V227 PolarHBondContact O-N 2.8Å; V224-V227 VanDerWaalsContact O-N 3.13Å; V224-D228 PolarHBondContact O-N 3.04Å
225Q98.3Very high96Very high93 Ų9348.5 Ų48.544%0.43526%0.258SS..Hα-helixtrans-61.4-37.4179.8-68.117412.300112.3I161 A221 D228 L229I161-Q225 HydrophobicContact CD1-CB 3.54Å; A221-Q225 VanDerWaalsContact O-CG 3.31Å; A221-Q225 WeakPolarHBondContact O-CG 3.22Å; A221-Q225 PolarHBondContact O-N 3.43Å; Q225-D228 PolarHBondContact O-N 3.03Å; Q225-L229 WeakPolarHBondContact O-CG 3.42Å; Q225-L229 PolarHBondContact O-N 3.09Å
226S98.6Very high95Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-62.6-45.7175.9-66.70000111.1V222 L223 V224 L229 L230V222-S226 WeakPolarHBondContact O-CB 3.41Å; V222-S226 PolarHBondContact O-N 3.43Å; V222-S226 PolarHBondContact O-OG 3.25Å; L223-S226 WeakPolarHBondContact O-CB 3.49Å; L223-S226 PolarHBondContact O-N 3.21Å; V224-S226 VanDerWaalsContact C-N 3.27Å; V224-S226 PolarHBondContact O-N 2.92Å; S226-L229 PolarHBondContact O-N 3.43Å; S226-L230 VanDerWaalsContact O-CG 3.26Å; S226-L230 WeakPolarHBondContact O-CG 3.31Å; S226-L230 PolarHBondContact O-N 3.22Å
227V98.3Very high93.2Very high3 Ų355.5 Ų55.52%0.01829%0.291CS..Hα-helixtrans-62.2-45.4177.5169.20000111.3A86 L87 R90 L223 V224 L229 L230 I231A86-V227 HydrophobicContact CB-CG2 3.62Å; L87-V227 HydrophobicContact CB-CG2 4.13Å; L87-V227 HydrophobicContact CD1-CG1 4.07Å; R90-V227 HydrophobicContact CB-CG1 3.7Å; R90-V227 HydrophobicContact CG-CG1 3.71Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 2.65Å; V224-V227 PolarHBondContact O-N 2.8Å; V224-V227 VanDerWaalsContact O-N 3.13Å; V227-L229 VanDerWaalsContact C-N 3.32Å; V227-L229 PolarHBondContact O-N 3.44Å; V227-L230 PolarHBondContact O-N 3.36Å; V227-I231 HydrophobicContact CG1-CD1 3.79Å; V227-I231 HydrophobicContact CG1-CG1 4.41Å; V227-I231 WeakPolarHBondContact O-CG1 3.29Å; V227-I231 PolarHBondContact O-N 3.35Å
228D96.9Very high91.4Very high74 Ų7453.2 Ų53.240%0.39629%0.285SS..Hα-helixtrans-62-40.8179.1-62.6-25.8000111.2R90 V224 Q225 S232R90-D228 IonicContact CZ-OD1 3.84Å; R90-D228 IonicContact NH1-OD1 3.59Å; R90-D228 PolarHBondContact NH1-OD1 3.27Å; R90-D228 IonicContact NH2-OD1 2.59Å; V224-D228 PolarHBondContact O-N 3.04Å; Q225-D228 PolarHBondContact O-N 3.03Å; D228-S232 WeakPolarHBondContact O-CB 3.23Å; D228-S232 PolarHBondContact O-N 3.35Å
229L96.9Very high88.7Confident62 Ų6254.9 Ų54.933%0.32531%0.306SS..Hα-helixtrans-64.2-43.7172.8-74.9-177.7000112.7I161 L190 Q225 S226 V227 S232 Q233I161-L229 HydrophobicContact CD1-CD1 3.45Å; I161-L229 VanDerWaalsContact CD1-CD1 3.45Å; I161-L229 HydrophobicContact CD1-CG 4.3Å; I161-L229 HydrophobicContact CG1-CD1 3.77Å; L190-L229 HydrophobicContact CD1-CD1 4.11Å; Q225-L229 WeakPolarHBondContact O-CG 3.42Å; Q225-L229 PolarHBondContact O-N 3.09Å; S226-L229 PolarHBondContact O-N 3.43Å; V227-L229 VanDerWaalsContact C-N 3.32Å; V227-L229 PolarHBondContact O-N 3.44Å; L229-S232 PolarHBondContact O-N 2.78Å; L229-Q233 VanDerWaalsContact O-CG 3.3Å; L229-Q233 WeakPolarHBondContact O-CG 3.26Å; L229-Q233 PolarHBondContact O-N 3.26Å
230L96.7Very high86.1Confident0 Ų061.1 Ų61.10%034%0.335CS..Hα-helixtrans-62.7-44.6178.6-70.1177.4000111V64 V83 L87 L148 V150 L190 S226 V227 S232 Q233 L234V64-L230 HydrophobicContact CG1-CD1 4.39Å; V64-L230 HydrophobicContact CG1-CD2 4.33Å; V83-L230 HydrophobicContact CG1-CD1 3.58Å; L87-L230 HydrophobicContact CD1-CB 4.47Å; L87-L230 HydrophobicContact CD2-CB 4.28Å; L87-L230 HydrophobicContact CD2-CD1 3.91Å; L148-L230 HydrophobicContact CD2-CD2 3.32Å; L148-L230 HydrophobicContact CG-CD2 3.97Å; V150-L230 HydrophobicContact CG2-CD1 4.15Å; V150-L230 HydrophobicContact CG2-CD2 4.11Å; L190-L230 HydrophobicContact CB-CD2 4.19Å; L190-L230 HydrophobicContact CD2-CD1 4.13Å; L190-L230 HydrophobicContact CD2-CD2 3.78Å; L190-L230 HydrophobicContact CD2-CG 3.78Å; S226-L230 VanDerWaalsContact O-CG 3.26Å; S226-L230 WeakPolarHBondContact O-CG 3.31Å; S226-L230 PolarHBondContact O-N 3.22Å; V227-L230 PolarHBondContact O-N 3.36Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 3.27Å; L230-Q233 PolarHBondContact O-N 2.66Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 2.77Å
231I94.8Very high83.2Confident42 Ų4260.3 Ų60.322%0.21534%0.343CS..Hα-helixtrans-59.8-47.9175.3-69.5170.4000109.8L87 R90 V227 Q233 L234 S235L87-I231 HydrophobicContact CD1-CD1 4.4Å; L87-I231 HydrophobicContact CD1-CG1 3.91Å; R90-I231 HydrophobicContact CG-CD1 3.88Å; V227-I231 HydrophobicContact CG1-CD1 3.79Å; V227-I231 HydrophobicContact CG1-CG1 4.41Å; V227-I231 WeakPolarHBondContact O-CG1 3.29Å; V227-I231 PolarHBondContact O-N 3.35Å; I231-Q233 VanDerWaalsContact C-N 3.3Å; I231-Q233 PolarHBondContact O-N 2.78Å; I231-L234 PolarHBondContact O-N 3.13Å; I231-L234 VanDerWaalsContact O-N 3.11Å; I231-S235 WeakPolarHBondContact O-CB 3.47Å; I231-S235 PolarHBondContact O-N 3.26Å; I231-S235 PolarHBondContact O-OG 3.17Å
232S92.9Very high80.3Confident53 Ų5362.8 Ų62.837%0.37136%0.364SS..Hα-helixtrans-56.6-42.7176.3-177.80000112.6D228 L229 L230 S235 Q236D228-S232 WeakPolarHBondContact O-CB 3.23Å; D228-S232 PolarHBondContact O-N 3.35Å; L229-S232 PolarHBondContact O-N 2.78Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 3.27Å; S232-S235 PolarHBondContact O-N 3.32Å; S232-Q236 WeakPolarHBondContact O-CG 3.26Å; S232-Q236 PolarHBondContact O-N 2.79Å
233Q91.6Very high77.4Confident41 Ų4166.6 Ų66.619%0.19239%0.391CS..Hα-helixtrans-66.6-36.1176.9-71.1-63.6-75.600113.1L148 I163 L229 L230 I231 S235L148-Q233 HydrophobicContact CD2-CB 4.22Å; I163-Q233 HydrophobicContact CD1-CG 4.13Å; I163-Q233 HydrophobicContact CG1-CG 4.33Å; L229-Q233 VanDerWaalsContact O-CG 3.3Å; L229-Q233 WeakPolarHBondContact O-CG 3.26Å; L229-Q233 PolarHBondContact O-N 3.26Å; L230-Q233 PolarHBondContact O-N 2.66Å; I231-Q233 VanDerWaalsContact C-N 3.3Å; I231-Q233 PolarHBondContact O-N 2.78Å; Q233-S235 VanDerWaalsContact C-N 3.31Å
234L90.4Very high74.3Confident5 Ų570.2 Ų70.23%0.02642%0.419CS..Hα-helixtrans-71-30.1175.6-67171.5000111.9K62 V64 V112 V117 L230 I231K62-L234 HydrophobicContact CB-CD2 3.78Å; K62-L234 HydrophobicContact CG-CD2 3.92Å; V64-L234 HydrophobicContact CG2-CD1 4.32Å; V64-L234 HydrophobicContact CG2-CD2 3.88Å; V112-L234 HydrophobicContact CB-CB 4.47Å; V112-L234 HydrophobicContact CG1-CB 4.07Å; V112-L234 HydrophobicContact CG1-CD1 4.49Å; V112-L234 HydrophobicContact CG2-CD1 4.28Å; V117-L234 HydrophobicContact CG1-CD1 4.3Å; V117-L234 HydrophobicContact CG1-CD2 4.33Å; V117-L234 HydrophobicContact CG2-CD1 4.28Å; V117-L234 HydrophobicContact CG2-CD2 3.99Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 2.77Å; I231-L234 PolarHBondContact O-N 3.13Å; I231-L234 VanDerWaalsContact O-N 3.11Å
235S84.1Confident71.6Confident34 Ų3472.7 Ų72.724%0.23844%0.437CS..Hα-helixtrans-79.4-25.8178.3-67.90000114.8Q113 I231 S232 Q233 Q237Q113-S235 PolarHBondContact NE2-OG 3.02Å; Q113-S235 PolarHBondContact OE1-OG 3.46Å; I231-S235 WeakPolarHBondContact O-CB 3.47Å; I231-S235 PolarHBondContact O-N 3.26Å; I231-S235 PolarHBondContact O-OG 3.17Å; S232-S235 PolarHBondContact O-N 3.32Å; Q233-S235 VanDerWaalsContact C-N 3.31Å; S235-Q237 PolarHBondContact O-N 3.35Å
236Q76.7Confident68.8Low98 Ų9873.4 Ų73.446%0.45846%0.459SS..  trans-63.5120.6-178.8-79.8172.21200110.3R60 S232R60-Q236 VanDerWaalsContact CZ-O 3.29Å; R60-Q236 PolarHBondContact NH1-O 3.12Å; R60-Q236 PolarHBondContact NH2-O 2.91Å; S232-Q236 WeakPolarHBondContact O-CG 3.26Å; S232-Q236 PolarHBondContact O-N 2.79Å
237Q58.7Low65.9Low160 Ų16076.8 Ų76.875%0.74849%0.493SS*.  trans-61.2150.7163.4-70.3-174.8-1700109S235 A239S235-Q237 PolarHBondContact O-N 3.35Å; Q237-A239 PolarHBondContact O-N 3.36Å
238D57.5Low63Low92 Ų9279 Ų7949%0.49252%0.517SS..  trans-65.469.9-176.9-63.4-50.7000111.4R60 Q240R60-D238 IonicContact CZ-OD1 3.86Å; R60-D238 IonicContact CZ-OD2 2.86Å; R60-D238 VanDerWaalsContact CZ-OD2 3.32Å; R60-D238 IonicContact NE-OD1 3.01Å; R60-D238 IonicContact NE-OD2 3.84Å; R60-D238 PolarHBondContact NE-OD2 3.49Å; R60-D238 IonicContact NH2-OD1 2.98Å; R60-D238 PolarHBondContact NH2-OD1 3.48Å; R60-D238 IonicContact NH2-OD2 3.81Å; R60-D238 PolarHBondContact NH2-OD2 3.39Å; D238-Q240 PolarHBondContact O-N 3.47Å; D238-Q240 VanDerWaalsContact O-N 3.16Å
239A42.3Very low60.2Low100 Ų10086.7 Ų86.783%0.82654%0.54SS*.THydrogen-bonded Turntrans-77.810.4178.700000112.6Q237Q237-A239 PolarHBondContact O-N 3.36Å
240Q42.4Very low57.3Low137 Ų13795.2 Ų95.264%0.6457%0.568SS**THydrogen-bonded Turntrans-135.527.5-174.8-69.5-172.7-5.100114D238 A242D238-Q240 PolarHBondContact O-N 3.47Å; D238-Q240 VanDerWaalsContact O-N 3.16Å; Q240-A242 PolarHBondContact O-N 3.1Å
241S37.9Very low54.6Low114 Ų11499.3 Ų99.380%0.79760%0.602SS**THydrogen-bonded Turntrans-75.44.5165.2520000113.7
242A35.3Very low51.8Low101 Ų101102.2 Ų102.284%0.83563%0.632SS**THydrogen-bonded Turntrans-130.424.7-176.400000116.1Q240Q240-A242 PolarHBondContact O-N 3.1Å
243S37.3Very low48.9Very low83 Ų83108.1 Ų108.158%0.5865%0.654SS**SBendtrans-125.7107162.467.60000110.3
244S34.8Very low46.2Very low112 Ų112115.4 Ų115.478%0.78369%0.687SS**  trans-35.1134.9176.9-59.60000113.6A246S244-A246 PolarHBondContact O-N 3.26Å; S244-A246 VanDerWaalsContact O-N 3.1Å
245P40.8Very low43.4Very low123 Ų123126.2 Ų126.280%0.79973%0.728SS**  trans-69115.9176.226.8-29.8000109.3G247P245-G247 VanDerWaalsContact C-N 3.33Å; P245-G247 PolarHBondContact O-N 3.01Å
246A39.2Very low41.1Very low108 Ų108134.2 Ų134.289%0.89376%0.758SS**SBendtrans-61.197.2159.500000108.9S244S244-A246 PolarHBondContact O-N 3.26Å; S244-A246 VanDerWaalsContact O-N 3.1Å
247G38.8Very low39.1Very low71 Ų71139 Ų13973%0.73278%0.778SS**  trans76.443.1149.600000118.4P245 R249P245-G247 VanDerWaalsContact C-N 3.33Å; P245-G247 PolarHBondContact O-N 3.01Å; G247-R249 PolarHBondContact O-N 3.43Å
248G37.2Very low38Very low49 Ų49140.7 Ų140.751%0.50579%0.786SS.*  trans-77.197.8159.100000110.3R250G248-R250 PolarHBondContact O-N 3.06Å
249R38.8Very low37Very low235 Ų235145.7 Ų145.789%0.88781%0.806SS**  trans-72.2120.7175.1-74.1-176.6-173169.22.4109.5G247 A251G247-R249 PolarHBondContact O-N 3.43Å; R249-A251 PolarHBondContact O-N 3.24Å
250R35.7Very low36.7Very low242 Ų242148 Ų14891%0.91380%0.804SS**  trans-52.9131162-68.5-177.5176.8-168.8-1.5108.5G248 A252G248-R250 PolarHBondContact O-N 3.06Å; R250-A252 PolarHBondContact O-N 3.24Å
251A38.5Very low36.4Very low86 Ų86146.9 Ų146.971%0.71181%0.812SS**  trans-59.2110.9177.900000109.8R249 Q253R249-A251 PolarHBondContact O-N 3.24Å; A251-Q253 PolarHBondContact O-N 2.84Å
252A37.8Very low36.4Very low102 Ų102147.2 Ų147.284%0.84381%0.809SS**  trans-66.1122.1-17400000111.7R250R250-A252 PolarHBondContact O-N 3.24Å
253Q32Very low36.8Very low177 Ų177147.4 Ų147.483%0.82781%0.81SS**  trans-79121.5164.5-73.1175.5-8.500108.8A251 R255A251-Q253 PolarHBondContact O-N 2.84Å; Q253-R255 PolarHBondContact O-N 3.12Å
254H33.2Very low37Very low195 Ų195149.6 Ų149.690%0.90382%0.82SS**  trans-79.9109.9177.3-15154.6000108.9
255R33.3Very low37.5Very low232 Ų232155.5 Ų155.588%0.87584%0.841SS**  trans-100.7115.6169.3-128-173.9-91-154.1-2.5107.6Q253Q253-R255 PolarHBondContact O-N 3.12Å
256K33.9Very low37.3Very low201 Ų201157.2 Ų157.287%0.87484%0.843SS**PPolyproline II helixtrans-73.1123175-144.7179.2-176.7-169.80107.4
257K35.4Very low37.2Very low200 Ų200159.7 Ų159.787%0.8784%0.84SS**PPolyproline II helixtrans-91.3131166.4-96.5-175172.3-173.40108
258E36.2Very low37.2Very low195 Ų195164.7 Ų164.791%0.91185%0.846SS**PPolyproline II helixtrans-67.9133.3162.6-75.8164.3149.400108.6
259E35.8Very low37.2Very low197 Ų197171.5 Ų171.592%0.92187%0.866SS**  trans-91.8115.8166.9-81.3175.1163.500107.5
260D35.7Very low37.1Very low147 Ų147167.5 Ų167.579%0.78687%0.865SS**  trans-85.7118.8168.6-158.71000107.8
261S37.1Very low37.1Very low114 Ų114162.5 Ų162.580%0.79786%0.862SS**  trans-9398.917859.70000109.2
262T38.7Very low37Very low121 Ų121168 Ų16874%0.74287%0.872SS**  trans-122.1102.6160.3-6.50000108.1
263A43.1Very low37Very low105 Ų105173.1 Ų173.187%0.86888%0.875SS**  trans-115106.3163.500000107.3
264V41.7Very low37.4Very low129 Ų129172.8 Ų172.878%0.78288%0.879SS**  trans-92.3122.9162177.80000106.1
265I44.9Very low37.8Very low237 Ų237170.7 Ų170.7100%1.21588%0.876SS**  trans1570139-74.4165.2000106.7

Retrieved 265 of 265 residues in 452 ms (Link to these results)