A0A3Q0KBQ3_SCHMA Loading...

E2F-associated phosphoprotein

AlphaFold DB , UniProt , Accession A0A3Q0KBQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 220 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.6Low62.5Low243 Ų243144.8 Ų144.8100%1.19779%0.786SS**  0110.60-80.116415600107.7
2F57.1Low61.4Low194 Ų194145.2 Ų145.285%0.85179%0.787SS**  trans-109.7110.5167-74.6-81.5000105.7
3S69Low61Low105 Ų105142.5 Ų142.573%0.73479%0.785SS**  trans-88.5104.5171.5-147.10000106D5S3-D5 PolarHBondContact OG-OD1 3.06Å
4S69Low60.5Low110 Ų110139.6 Ų139.677%0.76978%0.781SS**  trans-95.198.3167.2-62.80000106.2Y6S4-Y6 PolarHBondContact O-N 2.91Å
5D68.3Low60.1Low146 Ų146137.3 Ų137.378%0.78178%0.777SS**  trans-73.698.8171-61.2-23.7000106.6S3 D7S3-D5 PolarHBondContact OG-OD1 3.06Å; D5-D7 PolarHBondContact O-N 2.86Å
6Y68.7Low59.6Low213 Ų213135.1 Ų135.184%0.83577%0.773SS**  trans-73.3106.9170.4-168.8-97.5000107S4 G8S4-Y6 PolarHBondContact O-N 2.91Å; Y6-G8 PolarHBondContact O-N 2.84Å
7D72.5Confident59.2Low163 Ų163133.3 Ų133.387%0.87277%0.771SS**  trans-72.386.9173.1-154.56.6000107.5D5 C9D5-D7 PolarHBondContact O-N 2.86Å; D7-C9 PolarHBondContact O-N 3.41Å
8G55.3Low58.6Low40 Ų40133.6 Ų133.641%0.41277%0.769SS.*  trans-57.3118.6-17900000110.2Y6 E10Y6-G8 PolarHBondContact O-N 2.84Å; G8-E10 PolarHBondContact O-N 3.36Å
9C60.5Low58.1Low108 Ų108131.8 Ų131.873%0.7377%0.765SS**  trans-67.288.1154.6177.70000107.2D7 S11D7-C9 PolarHBondContact O-N 3.41Å; C9-S11 PolarHBondContact O-N 3.14Å; C9-S11 PolarHBondContact SG-OG 2.86Å
10E53.6Low57.5Low187 Ų187131.7 Ų131.787%0.87477%0.771SS**  trans-69.269160.9-60.2-174.2162.700108G8G8-E10 PolarHBondContact O-N 3.36Å
11S56Low56.9Low84 Ų84136 Ų13659%0.58778%0.775SS**  trans-103.581.5159.6-67.70000106.7C9 S13C9-S11 PolarHBondContact O-N 3.14Å; C9-S11 PolarHBondContact SG-OG 2.86Å; S11-S13 PolarHBondContact O-N 3.49Å
12D49.5Very low56.5Low149 Ų149129.8 Ų129.880%0.79775%0.747SS**  trans-53.288.4153.6-76.5-32.6000107.3S14D12-S14 PolarHBondContact O-N 2.87Å
13S56Low56.4Low110 Ų110126.4 Ų126.477%0.76974%0.738SS**  trans-72.174.4163.4-68.60000106.8S11 S15S11-S13 PolarHBondContact O-N 3.49Å; S13-S15 PolarHBondContact O-N 2.92Å
14S54.4Low55.6Low103 Ų103131.6 Ų131.672%0.7274%0.742SS**  trans-6486.6158.4-65.60000106.4D12 S16D12-S14 PolarHBondContact O-N 2.87Å; S14-S16 PolarHBondContact O-N 3.02Å
15S54.4Low55.2Low104 Ų104129.7 Ų129.773%0.72773%0.728SS**  trans-68.785.6170.5-1670000107.6S13 S17S13-S15 PolarHBondContact O-N 2.92Å; S15-S17 VanDerWaalsContact C-N 3.25Å; S15-S17 PolarHBondContact O-N 3.42Å; S15-S17 VanDerWaalsContact O-N 3.14Å
16S51.5Low54.7Low102 Ų102126.4 Ų126.471%0.71371%0.713SS**  trans-75.679.8164.5167.80000107.8S14 D18S14-S16 PolarHBondContact O-N 3.02Å; S16-D18 PolarHBondContact O-N 3.33Å
17S53.2Low54.6Low105 Ų105121 Ų12173%0.73470%0.699SS**  trans-89.889164.447.20000109.3S15S15-S17 VanDerWaalsContact C-N 3.25Å; S15-S17 PolarHBondContact O-N 3.42Å; S15-S17 VanDerWaalsContact O-N 3.14Å
18D47.8Very low54.3Low139 Ų139116 Ų11674%0.74368%0.68SS**  trans-63.7136.1160.9-96.6-35.8000110.3S16S16-D18 PolarHBondContact O-N 3.33Å
19S49Very low55Low99 Ų99118.5 Ų118.569%0.69269%0.687SS**  trans65.289.8152.370.50000118.8
20C46.9Very low55.4Low129 Ų129118.9 Ų118.987%0.87268%0.678SS**  -167.1102.9118.946.90000108.9D22C20-D22 PolarHBondContact O-N 2.93Å
21Y44.6Very low56.3Low223 Ų223114.4 Ų114.488%0.87566%0.659SS**  trans-64104.6172.5-71.8-90.6000109.3
22D49.5Very low57.4Low113 Ų113114.1 Ų114.160%0.60466%0.657SS**  trans-109.1101.8153.2-154.3-16.5000106.7C20 R24 S25C20-D22 PolarHBondContact O-N 2.93Å; D22-R24 PolarHBondContact O-N 2.74Å; D22-S25 VanDerWaalsContact O-CB 3.26Å; D22-S25 WeakPolarHBondContact O-CB 3.26Å; D22-S25 PolarHBondContact O-N 2.91Å
23N54Low59.1Low123 Ų123114 Ų11466%0.65865%0.649SS**Hα-helixtrans-58.6-10.4-178-84.5-31.5000112.9S25N23-S25 VanDerWaalsContact C-N 3.32Å
24R53.7Low60.5Low214 Ų214111.5 Ų111.581%0.80864%0.636SS**Hα-helixtrans-71.9-24.7170.9-131.1172.1-171.5169.61.9113.4D22D22-R24 PolarHBondContact O-N 2.74Å
25S59.7Low62.2Low70 Ų70113.1 Ų113.149%0.4963%0.63SS.*Hα-helixtrans-71-36.9179.4-179.50000112.5D22 N23 N27 A28 V29D22-S25 VanDerWaalsContact O-CB 3.26Å; D22-S25 WeakPolarHBondContact O-CB 3.26Å; D22-S25 PolarHBondContact O-N 2.91Å; N23-S25 VanDerWaalsContact C-N 3.32Å; S25-N27 PolarHBondContact O-N 3.27Å; S25-A28 WeakPolarHBondContact O-CB 3.29Å; S25-A28 PolarHBondContact O-N 3.44Å; S25-V29 WeakPolarHBondContact O-CG2 3.07Å; S25-V29 PolarHBondContact O-N 2.88Å
26V57.1Low63.8Low76 Ų76110.5 Ų110.546%0.46162%0.615SS.*Hα-helixtrans-61.4-44.3-176.1-167.10000111.2A28 V29 E30V26-A28 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 2.85Å; V26-V29 PolarHBondContact O-N 2.81Å; V26-E30 WeakPolarHBondContact O-CB 3.32Å; V26-E30 WeakPolarHBondContact O-CG 3.47Å; V26-E30 PolarHBondContact O-N 2.99Å
27N66.6Low65.6Low100 Ų100110.6 Ų110.654%0.53561%0.605SS.*Hα-helixtrans-62.6-38.4174.1-86.3-43.7000112.3S25 E30 I31S25-N27 PolarHBondContact O-N 3.27Å; N27-E30 PolarHBondContact O-N 3.49Å; N27-I31 VanDerWaalsContact O-CB 3.29Å; N27-I31 WeakPolarHBondContact O-CB 3.41Å; N27-I31 VanDerWaalsContact O-CD1 3.3Å; N27-I31 WeakPolarHBondContact O-CD1 3.48Å; N27-I31 WeakPolarHBondContact O-CG1 3.42Å; N27-I31 PolarHBondContact O-N 3.47Å
28A66.7Low67.5Low58 Ų58111.4 Ų111.448%0.47960%0.597SS.*Hα-helixtrans-67.2-40.217900000111.8S25 V26 S32S25-A28 WeakPolarHBondContact O-CB 3.29Å; S25-A28 PolarHBondContact O-N 3.44Å; V26-A28 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 2.85Å; A28-S32 VanDerWaalsContact O-CB 3.32Å; A28-S32 WeakPolarHBondContact O-CB 3.3Å; A28-S32 PolarHBondContact O-N 3.25Å
29V70.1Confident69.6Low93 Ų93111 Ų11156%0.56459%0.589SS**Hα-helixtrans-66.6-43.9175.8176.30000110.9S25 V26 S32 K33S25-V29 WeakPolarHBondContact O-CG2 3.07Å; S25-V29 PolarHBondContact O-N 2.88Å; V26-V29 PolarHBondContact O-N 2.81Å; V29-S32 PolarHBondContact O-N 2.96Å; V29-K33 WeakPolarHBondContact O-CB 3.44Å; V29-K33 PolarHBondContact O-N 3.31Å
30E70.1Confident71.6Confident116 Ų116110.6 Ų110.654%0.54258%0.579SS.*Hα-helixtrans-65.3-42.4176.8-74.4-177.9175.100112.4V26 N27 S32 K33 A34V26-E30 WeakPolarHBondContact O-CB 3.32Å; V26-E30 WeakPolarHBondContact O-CG 3.47Å; V26-E30 PolarHBondContact O-N 2.99Å; N27-E30 PolarHBondContact O-N 3.49Å; E30-S32 VanDerWaalsContact C-N 3.31Å; E30-S32 PolarHBondContact O-N 2.91Å; E30-K33 PolarHBondContact O-N 3.27Å; E30-A34 WeakPolarHBondContact O-CB 3.31Å; E30-A34 PolarHBondContact O-N 3.48Å
31I72.1Confident73.9Confident92 Ų92110.8 Ų110.847%0.47257%0.567SS.*Hα-helixtrans-62.8-41174.1-68.7163.6000110.2N27 K33 A34 K35N27-I31 VanDerWaalsContact O-CB 3.29Å; N27-I31 WeakPolarHBondContact O-CB 3.41Å; N27-I31 VanDerWaalsContact O-CD1 3.3Å; N27-I31 WeakPolarHBondContact O-CD1 3.48Å; N27-I31 WeakPolarHBondContact O-CG1 3.42Å; N27-I31 PolarHBondContact O-N 3.47Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-A34 PolarHBondContact O-N 3.08Å; I31-K35 HydrophobicContact CG2-CD 4.18Å; I31-K35 WeakPolarHBondContact O-CB 3.44Å; I31-K35 VanDerWaalsContact O-CG 3.31Å; I31-K35 WeakPolarHBondContact O-CG 3.43Å; I31-K35 PolarHBondContact O-N 3.29Å
32S79.2Confident76.2Confident78 Ų78104.6 Ų104.655%0.54555%0.549SS..Hα-helixtrans-63.9-40.5176.4-170.30000111.7A28 V29 E30 K35 A36A28-S32 VanDerWaalsContact O-CB 3.32Å; A28-S32 WeakPolarHBondContact O-CB 3.3Å; A28-S32 PolarHBondContact O-N 3.25Å; V29-S32 PolarHBondContact O-N 2.96Å; E30-S32 VanDerWaalsContact C-N 3.31Å; E30-S32 PolarHBondContact O-N 2.91Å; S32-K35 PolarHBondContact O-N 2.87Å; S32-A36 WeakPolarHBondContact O-CB 3.39Å; S32-A36 PolarHBondContact O-N 3Å
33K84.3Confident78.2Confident146 Ų146104.5 Ų104.564%0.63555%0.546SS*.Hα-helixtrans-66.8-43.4176.7-171.7177.8179.1-179.20111.7V29 E30 I31 K35 A36 M37V29-K33 WeakPolarHBondContact O-CB 3.44Å; V29-K33 PolarHBondContact O-N 3.31Å; E30-K33 PolarHBondContact O-N 3.27Å; I31-K33 VanDerWaalsContact C-N 3.34Å; K33-K35 PolarHBondContact O-N 3.49Å; K33-A36 PolarHBondContact O-N 2.97Å; K33-M37 WeakPolarHBondContact O-CG 3.47Å; K33-M37 PolarHBondContact O-N 2.83Å
34A86.8Confident80Confident59 Ų59103.3 Ų103.349%0.48854%0.54SS..Hα-helixtrans-61.6-42.9175.900000111.8E30 I31 M37 E38E30-A34 WeakPolarHBondContact O-CB 3.31Å; E30-A34 PolarHBondContact O-N 3.48Å; I31-A34 PolarHBondContact O-N 3.08Å; A34-M37 PolarHBondContact O-N 3.05Å; A34-E38 PolarHBondContact O-N 2.96Å
35K88.1Confident81.9Confident136 Ų13699.5 Ų99.559%0.59153%0.529SS*.Hα-helixtrans-64.5-37.4175.1-75.1179.5178.2-177.90113.1I31 S32 K33 E38 F39I31-K35 HydrophobicContact CG2-CD 4.18Å; I31-K35 WeakPolarHBondContact O-CB 3.44Å; I31-K35 VanDerWaalsContact O-CG 3.31Å; I31-K35 WeakPolarHBondContact O-CG 3.43Å; I31-K35 PolarHBondContact O-N 3.29Å; S32-K35 PolarHBondContact O-N 2.87Å; K33-K35 PolarHBondContact O-N 3.49Å; K35-E38 PolarHBondContact O-N 2.89Å; K35-F39 PolarHBondContact O-N 2.87Å; K35-F39 VanDerWaalsContact O-N 3.08Å
36A88.2Confident83.4Confident49 Ų49101.9 Ų101.941%0.40553%0.532SS..Hα-helixtrans-64.8-42.617500000111.4S32 K33 F39 D40S32-A36 WeakPolarHBondContact O-CB 3.39Å; S32-A36 PolarHBondContact O-N 3Å; K33-A36 PolarHBondContact O-N 2.97Å; A36-F39 PolarHBondContact O-N 3.18Å; A36-D40 PolarHBondContact O-N 3.27Å
37M90.4Very high85.1Confident105 Ų105102.8 Ų102.852%0.51753%0.534SS..Hα-helixtrans-64.3-40.2175.9-69-179.766.800112.5K33 A34 F39 D40 E41K33-M37 WeakPolarHBondContact O-CG 3.47Å; K33-M37 PolarHBondContact O-N 2.83Å; A34-M37 PolarHBondContact O-N 3.05Å; M37-F39 VanDerWaalsContact C-N 3.32Å; M37-F39 PolarHBondContact O-N 2.96Å; M37-D40 PolarHBondContact O-N 2.94Å; M37-E41 WeakPolarHBondContact O-CG 3.47Å; M37-E41 PolarHBondContact O-N 3.34Å
38E92.7Very high86.2Confident122 Ų122101.9 Ų101.957%0.5753%0.529SS*.Hα-helixtrans-61.9-39.3174.9-173.2-178-178.200111.9A34 K35 L42A34-E38 PolarHBondContact O-N 2.96Å; K35-E38 PolarHBondContact O-N 2.89Å; E38-L42 PolarHBondContact O-N 3.2Å
39F92.4Very high87.4Confident129 Ų129103.1 Ų103.157%0.56653%0.527SS*.Hα-helixtrans-65.8-44.6175.4-179.9-96.1000112.2K35 A36 M37 E41 L42 M43K35-F39 PolarHBondContact O-N 2.87Å; K35-F39 VanDerWaalsContact O-N 3.08Å; A36-F39 PolarHBondContact O-N 3.18Å; M37-F39 VanDerWaalsContact C-N 3.32Å; M37-F39 PolarHBondContact O-N 2.96Å; F39-E41 VanDerWaalsContact C-N 3.33Å; F39-E41 PolarHBondContact O-N 3Å; F39-L42 PolarHBondContact O-N 3.47Å; F39-M43 HydrophobicContact CD1-CG 4.17Å; F39-M43 HydrophobicContact CE1-CG 3.68Å; F39-M43 HydrophobicContact CE2-CG 4.45Å; F39-M43 HydrophobicContact CZ-CG 3.85Å; F39-M43 HydrophobicContact CZ-SD 4.29Å; F39-M43 WeakPolarHBondContact O-CB 3.45Å; F39-M43 PolarHBondContact O-N 3.46Å
40D90.9Very high88.2Confident91 Ų91104.3 Ų104.349%0.48753%0.53SS..Hα-helixtrans-63.1-39.2177.2-72.9-21000111.7A36 M37 M43 N44A36-D40 PolarHBondContact O-N 3.27Å; M37-D40 PolarHBondContact O-N 2.94Å; D40-M43 PolarHBondContact O-N 3.06Å; D40-N44 WeakPolarHBondContact O-CB 3.48Å; D40-N44 VanDerWaalsContact O-CG 3.29Å; D40-N44 PolarHBondContact O-N 3.29Å; D40-N44 PolarHBondContact O-ND2 2.75Å
41E94.3Very high89Confident134 Ų134102.5 Ų102.563%0.62652%0.523SS*.Hα-helixtrans-63.7-43174.6-77.7-177.4-176.500112.4M37 F39 N44 K45M37-E41 WeakPolarHBondContact O-CG 3.47Å; M37-E41 PolarHBondContact O-N 3.34Å; F39-E41 VanDerWaalsContact C-N 3.33Å; F39-E41 PolarHBondContact O-N 3Å; E41-N44 PolarHBondContact O-N 3.27Å; E41-K45 WeakPolarHBondContact O-CB 3.34Å; E41-K45 PolarHBondContact O-N 3.28Å
42L94.1Very high89.7Confident93 Ų93106 Ų10649%0.48753%0.53SS..Hα-helixtrans-62.5-44.5174.5-89.1166.6000111.9E38 F39 N44 K45 E46E38-L42 PolarHBondContact O-N 3.2Å; F39-L42 PolarHBondContact O-N 3.47Å; L42-N44 PolarHBondContact O-N 3.1Å; L42-K45 PolarHBondContact O-N 3.07Å; L42-E46 PolarHBondContact O-N 2.92Å
43M91.5Very high89.9Confident111 Ų111104.7 Ų104.755%0.54752%0.521SS..Hα-helixtrans-59.1-45.9176.4-85.8-76.2-6800112.1F39 D40 K45 E46 L47F39-M43 HydrophobicContact CD1-CG 4.17Å; F39-M43 HydrophobicContact CE1-CG 3.68Å; F39-M43 HydrophobicContact CE2-CG 4.45Å; F39-M43 HydrophobicContact CZ-CG 3.85Å; F39-M43 HydrophobicContact CZ-SD 4.29Å; F39-M43 WeakPolarHBondContact O-CB 3.45Å; F39-M43 PolarHBondContact O-N 3.46Å; D40-M43 PolarHBondContact O-N 3.06Å; M43-K45 VanDerWaalsContact C-N 3.33Å; M43-K45 PolarHBondContact O-N 3.12Å; M43-E46 PolarHBondContact O-N 3.4Å; M43-L47 WeakPolarHBondContact O-CB 3.47Å; M43-L47 PolarHBondContact O-N 3.35Å
44N91.6Very high89.8Confident98 Ų98102 Ų10252%0.52452%0.517SS..Hα-helixtrans-64.7-37.9177.6-73.1-37.9000112D40 E41 L42 L47 D48D40-N44 WeakPolarHBondContact O-CB 3.48Å; D40-N44 VanDerWaalsContact O-CG 3.29Å; D40-N44 PolarHBondContact O-N 3.29Å; D40-N44 PolarHBondContact O-ND2 2.75Å; E41-N44 PolarHBondContact O-N 3.27Å; L42-N44 PolarHBondContact O-N 3.1Å; N44-L47 PolarHBondContact O-N 2.84Å; N44-D48 WeakPolarHBondContact O-CB 3.38Å; N44-D48 PolarHBondContact O-N 2.78Å
45K93.5Very high89.4Confident134 Ų134105.2 Ų105.258%0.58352%0.522SS*.Hα-helixtrans-65-43.1176.3-173.1-179.9179-177.80112.4E41 L42 M43 D48 L49E41-K45 WeakPolarHBondContact O-CB 3.34Å; E41-K45 PolarHBondContact O-N 3.28Å; L42-K45 PolarHBondContact O-N 3.07Å; M43-K45 VanDerWaalsContact C-N 3.33Å; M43-K45 PolarHBondContact O-N 3.12Å; K45-D48 PolarHBondContact O-N 3.03Å; K45-L49 WeakPolarHBondContact O-CG 3.44Å; K45-L49 PolarHBondContact O-N 3.31Å
46E91.3Very high88.8Confident119 Ų119104.7 Ų104.756%0.55652%0.522SS*.Hα-helixtrans-64.2-41.1175-72.9-63.7142.800111.5L42 M43 D48 L49 L50L42-E46 PolarHBondContact O-N 2.92Å; M43-E46 PolarHBondContact O-N 3.4Å; E46-D48 PolarHBondContact O-N 2.96Å; E46-L49 PolarHBondContact O-N 3.11Å; E46-L50 PolarHBondContact O-N 3.24Å
47L91.5Very high88.1Confident96 Ų96108.8 Ų108.850%0.50353%0.53SS..Hα-helixtrans-60-46.5174.5-170.179.6000111.5M43 N44 L49 L50 I51M43-L47 WeakPolarHBondContact O-CB 3.47Å; M43-L47 PolarHBondContact O-N 3.35Å; N44-L47 PolarHBondContact O-N 2.84Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 3.02Å; L47-L50 WeakPolarHBondContact O-CB 3.46Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-L50 VanDerWaalsContact O-N 3.15Å; L47-I51 HydrophobicContact CD2-CD1 4.3Å; L47-I51 HydrophobicContact CG-CD1 4.05Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 3.41Å
48D90.9Very high87Confident80 Ų80105.5 Ų105.543%0.42852%0.52SS..Hα-helixtrans-62.3-38.6178.1-85-12.1000112.5N44 K45 E46 L50 I51 R52N44-D48 WeakPolarHBondContact O-CB 3.38Å; N44-D48 PolarHBondContact O-N 2.78Å; K45-D48 PolarHBondContact O-N 3.03Å; E46-D48 PolarHBondContact O-N 2.96Å; D48-L50 VanDerWaalsContact C-N 3.35Å; D48-I51 PolarHBondContact O-N 3.5Å; D48-R52 WeakPolarHBondContact O-CB 3.26Å; D48-R52 VanDerWaalsContact O-CG 3.32Å; D48-R52 WeakPolarHBondContact O-CG 3.4Å; D48-R52 PolarHBondContact O-N 2.76Å
49L90.6Very high85.5Confident84 Ų84103.7 Ų103.744%0.4452%0.517SS..Hα-helixtrans-63.3-41.5173.7-72.3176.3000111.4K45 E46 L47 R52 S53K45-L49 WeakPolarHBondContact O-CG 3.44Å; K45-L49 PolarHBondContact O-N 3.31Å; E46-L49 PolarHBondContact O-N 3.11Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 3.02Å; L49-R52 PolarHBondContact O-N 3.25Å; L49-S53 WeakPolarHBondContact O-CB 3.41Å; L49-S53 PolarHBondContact O-N 3.49Å
50L88.3Confident83.9Confident118 Ų118102.8 Ų102.862%0.61852%0.518SS*.Hα-helixtrans-64-45.8177.1-148.582.9000111.2E46 L47 D48 S53 V54E46-L50 PolarHBondContact O-N 3.24Å; L47-L50 WeakPolarHBondContact O-CB 3.46Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-L50 VanDerWaalsContact O-N 3.15Å; D48-L50 VanDerWaalsContact C-N 3.35Å; L50-S53 WeakPolarHBondContact O-CB 3.28Å; L50-S53 PolarHBondContact O-N 3.44Å; L50-V54 WeakPolarHBondContact O-CG2 3.3Å; L50-V54 PolarHBondContact O-N 3.47Å
51I87.3Confident82.1Confident78 Ų78100.9 Ų100.940%0.451%0.512SS..Hα-helixtrans-61.1-47.4177.7-68.4168.4000110.2L47 D48 S53 V54 H55L47-I51 HydrophobicContact CD2-CD1 4.3Å; L47-I51 HydrophobicContact CG-CD1 4.05Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 3.41Å; D48-I51 PolarHBondContact O-N 3.5Å; I51-S53 VanDerWaalsContact C-N 3.35Å; I51-S53 PolarHBondContact O-N 3.35Å; I51-V54 PolarHBondContact O-N 2.97Å; I51-H55 PolarHBondContact O-CD2 2.94Å; I51-H55 VanDerWaalsContact O-CD2 3.27Å; I51-H55 PolarHBondContact O-N 3.22Å
52R85.7Confident80.1Confident165 Ų165101.3 Ų101.362%0.62351%0.512SS*.Hα-helixtrans-61.4-41.4176.8-73.5177.8-166.1167.58.6112.2D48 L49 V54 H55 Q56D48-R52 WeakPolarHBondContact O-CB 3.26Å; D48-R52 VanDerWaalsContact O-CG 3.32Å; D48-R52 WeakPolarHBondContact O-CG 3.4Å; D48-R52 PolarHBondContact O-N 2.76Å; L49-R52 PolarHBondContact O-N 3.25Å; R52-V54 PolarHBondContact O-N 3.42Å; R52-H55 PolarHBondContact O-N 3.17Å; R52-Q56 WeakPolarHBondContact O-CB 3.48Å; R52-Q56 PolarHBondContact O-N 3.29Å
53S83.2Confident78Confident51 Ų51103.2 Ų103.236%0.35753%0.527SS..Hα-helixtrans-60.8-43.4175.4-176.50000111.8L49 L50 I51 Q56 K57L49-S53 WeakPolarHBondContact O-CB 3.41Å; L49-S53 PolarHBondContact O-N 3.49Å; L50-S53 WeakPolarHBondContact O-CB 3.28Å; L50-S53 PolarHBondContact O-N 3.44Å; I51-S53 VanDerWaalsContact C-N 3.35Å; I51-S53 PolarHBondContact O-N 3.35Å; S53-Q56 PolarHBondContact O-N 2.99Å; S53-K57 WeakPolarHBondContact O-CB 3.29Å; S53-K57 VanDerWaalsContact O-CG 3.27Å; S53-K57 WeakPolarHBondContact O-CG 3.42Å; S53-K57 PolarHBondContact O-N 3Å
54V82.9Confident76Confident90 Ų90105.6 Ų105.655%0.54554%0.537SS..Hα-helixtrans-64.6-41.5175.2173.30000111.1L50 I51 R52 A58L50-V54 WeakPolarHBondContact O-CG2 3.3Å; L50-V54 PolarHBondContact O-N 3.47Å; I51-V54 PolarHBondContact O-N 2.97Å; R52-V54 PolarHBondContact O-N 3.42Å; V54-A58 VanDerWaalsContact O-CB 3.24Å; V54-A58 WeakPolarHBondContact O-CB 3.15Å; V54-A58 PolarHBondContact O-N 3.19Å
55H78.6Confident74Confident126 Ų126107.6 Ų107.658%0.58354%0.538SS*.Hα-helixtrans-65.2-40.6176.3-87.5-82000112.5I51 R52 A58 T59I51-H55 PolarHBondContact O-CD2 2.94Å; I51-H55 VanDerWaalsContact O-CD2 3.27Å; I51-H55 PolarHBondContact O-N 3.22Å; R52-H55 PolarHBondContact O-N 3.17Å; H55-A58 CarbonylContact O-C 3.33Å; H55-A58 WeakPolarHBondContact O-CB 3.12Å; H55-A58 PolarHBondContact O-N 2.91Å; H55-T59 WeakPolarHBondContact O-CG2 3.48Å; H55-T59 PolarHBondContact O-N 3.36Å; H55-T59 PolarHBondContact O-OG1 2.83Å
56Q75.1Confident71.8Confident126 Ų126111.1 Ų111.159%0.58955%0.553SS**Hα-helixtrans-70-42.1178.7-165.7148.716.600111.7R52 S53 A58 T59 D60R52-Q56 WeakPolarHBondContact O-CB 3.48Å; R52-Q56 PolarHBondContact O-N 3.29Å; S53-Q56 PolarHBondContact O-N 2.99Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 3.23Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.5Å; Q56-T59 PolarHBondContact O-N 3.15Å; Q56-T59 VanDerWaalsContact O-N 3.12Å; Q56-T59 PolarHBondContact O-OG1 2.96Å; Q56-D60 PolarHBondContact O-N 3.41Å
57K74.2Confident69.9Low134 Ų134114.1 Ų114.158%0.58357%0.567SS**Hα-helixtrans-59.2-39.6168.6-71.2175.8-176-178.10111.2S53 T59 D60 S61S53-K57 WeakPolarHBondContact O-CB 3.29Å; S53-K57 VanDerWaalsContact O-CG 3.27Å; S53-K57 WeakPolarHBondContact O-CG 3.42Å; S53-K57 PolarHBondContact O-N 3Å; K57-T59 VanDerWaalsContact C-N 3.31Å; K57-T59 PolarHBondContact O-N 2.77Å; K57-D60 PolarHBondContact O-N 3.03Å; K57-S61 WeakPolarHBondContact O-CB 3.26Å; K57-S61 PolarHBondContact O-N 3.35Å; K57-S61 PolarHBondContact O-OG 2.87Å
58A65.9Low68.1Low36 Ų36115.9 Ų115.930%0.29858%0.577SS.*Hα-helixtrans-69.1-25.4177.400000113.7V54 H55 Q56 R65V54-A58 VanDerWaalsContact O-CB 3.24Å; V54-A58 WeakPolarHBondContact O-CB 3.15Å; V54-A58 PolarHBondContact O-N 3.19Å; H55-A58 CarbonylContact O-C 3.33Å; H55-A58 WeakPolarHBondContact O-CB 3.12Å; H55-A58 PolarHBondContact O-N 2.91Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 3.23Å; A58-R65 PolarHBondContact O-NH2 2.84Å
59T61.7Low66.2Low85 Ų85120.3 Ų120.352%0.52160%0.595SS.*Hα-helixtrans-80.9-38.6173.453.20000112.2H55 Q56 K57 K62H55-T59 WeakPolarHBondContact O-CG2 3.48Å; H55-T59 PolarHBondContact O-N 3.36Å; H55-T59 PolarHBondContact O-OG1 2.83Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.5Å; Q56-T59 PolarHBondContact O-N 3.15Å; Q56-T59 VanDerWaalsContact O-N 3.12Å; Q56-T59 PolarHBondContact O-OG1 2.96Å; K57-T59 VanDerWaalsContact C-N 3.31Å; K57-T59 PolarHBondContact O-N 2.77Å; T59-K62 PolarHBondContact O-N 2.9Å
60D58.8Low64.5Low109 Ų109123.7 Ų123.758%0.58361%0.613SS**Hα-helixtrans-74.4-36.5178.9-61.9-19.6000111Q56 K57 K62 T63Q56-D60 PolarHBondContact O-N 3.41Å; K57-D60 PolarHBondContact O-N 3.03Å; D60-K62 PolarHBondContact O-N 2.78Å; D60-K62 VanDerWaalsContact O-N 3.15Å; D60-T63 PolarHBondContact O-N 2.85Å
61S53.6Low62.9Low51 Ų51125.2 Ų125.236%0.35762%0.621SS.*G310 helixtrans-72.1-0.9174.7-59.10000114K57 T63 E64 R65K57-S61 WeakPolarHBondContact O-CB 3.26Å; K57-S61 PolarHBondContact O-N 3.35Å; K57-S61 PolarHBondContact O-OG 2.87Å; S61-T63 PolarHBondContact O-N 3.21Å; S61-T63 VanDerWaalsContact O-N 3.11Å; S61-E64 CarbonylContact O-C 3.6Å; S61-E64 PolarHBondContact O-N 2.83Å; S61-R65 WeakPolarHBondContact O-CA 3.11Å; S61-R65 VanDerWaalsContact O-CB 3.23Å; S61-R65 WeakPolarHBondContact O-CB 3.45Å; S61-R65 WeakPolarHBondContact O-CG 3.37Å; S61-R65 PolarHBondContact O-N 3.33Å
62K52.3Low61Low143 Ų143130.6 Ų130.662%0.62264%0.637SS**G310 helixtrans-61-16169.1-89.4-175.5175.7179.80113T59 D60T59-K62 PolarHBondContact O-N 2.9Å; D60-K62 PolarHBondContact O-N 2.78Å; D60-K62 VanDerWaalsContact O-N 3.15Å
63T49Very low59.4Low133 Ų133128.2 Ų128.282%0.81664%0.64SS**G310 helixtrans-92.7-13.1174.2-45.90000113.4D60 S61D60-T63 PolarHBondContact O-N 2.85Å; S61-T63 PolarHBondContact O-N 3.21Å; S61-T63 VanDerWaalsContact O-N 3.11Å
64E50.1Low57.8Low162 Ų162133.9 Ų133.976%0.75765%0.654SS**THydrogen-bonded Turntrans-122.915.3-178.8-64.3-171.2154.900113.7S61 K66S61-E64 CarbonylContact O-C 3.6Å; S61-E64 PolarHBondContact O-N 2.83Å; E64-K66 PolarHBondContact O-N 3.27Å
65R49.1Very low56.2Low140 Ų140139 Ų13953%0.52867%0.669SS.*THydrogen-bonded Turntrans-69.419-162.4-121.6178.6-153-155.4-3.6118A58 S61A58-R65 PolarHBondContact O-NH2 2.84Å; S61-R65 WeakPolarHBondContact O-CA 3.11Å; S61-R65 VanDerWaalsContact O-CB 3.23Å; S61-R65 WeakPolarHBondContact O-CB 3.45Å; S61-R65 WeakPolarHBondContact O-CG 3.37Å; S61-R65 PolarHBondContact O-N 3.33Å
66K48.1Very low55.1Low208 Ų208141.9 Ų141.990%0.90468%0.68SS**THydrogen-bonded Turntrans-99.7-5.4178.6-79.2-170.9175.6-1770115.4E64E64-K66 PolarHBondContact O-N 3.27Å
67Q50Low53.7Low182 Ų182144.4 Ų144.485%0.8569%0.689SS**SBendtrans-119.5-2.9-171-70.4-175.5-7.700116.4
68N54.7Low52.5Low133 Ų133145.6 Ų145.671%0.71170%0.702SS**  trans-129.633-173.2-158.21.6000114.7N70N68-N70 VanDerWaalsContact C-N 3.33Å
69E52Low51.7Low173 Ų173151.6 Ų151.681%0.80872%0.723SS**  trans-85.6-3.2173.4-110.3-177.216600113.8L71E69-L71 PolarHBondContact O-N 2.96Å
70N53.4Low51Low155 Ų155153.3 Ų153.383%0.82973%0.729SS**THydrogen-bonded Turntrans-89.48-169.7-66.6-8.1000115.6N68N68-N70 VanDerWaalsContact C-N 3.33Å
71L55.1Low50.7Low150 Ų150155.2 Ų155.279%0.78574%0.74SS**THydrogen-bonded Turntrans-119.616.8-175.5-105.6125.9000115.2E69E69-L71 PolarHBondContact O-N 2.96Å
72R46.7Very low50.7Low190 Ų190161.4 Ų161.472%0.71777%0.769SS**  trans-102.885.3175.1-152.3177.4-169174.55.4110.9R74R72-R74 HydrophobicContact CG-CG 4.47Å; R72-R74 PolarHBondContact O-N 3.43Å
73V53.3Low50.9Low116 Ų116159 Ų15970%0.70377%0.766SS**  trans-65.798.3168.4-1730000108.2F75V73-F75 HydrophobicContact CG1-CD2 4.07Å; V73-F75 HydrophobicContact CG1-CE1 4.27Å; V73-F75 HydrophobicContact CG1-CE2 3.55Å; V73-F75 HydrophobicContact CG1-CZ 3.67Å
74R49.2Very low51.5Low169 Ų169160.4 Ų160.464%0.63877%0.768SS**  trans-100.8108.1167.6-87.9-177.5167173.6-5107.7R72 K76R72-R74 HydrophobicContact CG-CG 4.47Å; R72-R74 PolarHBondContact O-N 3.43Å; R74-K76 PolarHBondContact O-N 2.87Å
75F48.9Very low51.5Low197 Ų197160 Ų16086%0.86476%0.764SS**  trans-7293.1165.3-64.1-79.6000108.5V73V73-F75 HydrophobicContact CG1-CD2 4.07Å; V73-F75 HydrophobicContact CG1-CE1 4.27Å; V73-F75 HydrophobicContact CG1-CE2 3.55Å; V73-F75 HydrophobicContact CG1-CZ 3.67Å
76K55.6Low51.8Low188 Ų188158.2 Ų158.282%0.81777%0.771SS**  trans-95.9120.5160.7-83.3-169.3170.9-169.80107.7R74R74-K76 PolarHBondContact O-N 2.87Å
77K46.2Very low52.4Low179 Ų179153.9 Ų153.978%0.77876%0.762SS**  trans-115.399.8176.5-176.5-176.2-165169.30106
78D48.9Very low53.1Low158 Ų158154.8 Ų154.885%0.84576%0.758SS**  trans-166.7100165.4-73-44.6000105.2
79H48.1Very low53.6Low162 Ų162154.8 Ų154.875%0.7575%0.752SS**  73.5114.591.4-148.8-75.7000112.3
80D47.5Very low54.8Low121 Ų121149.9 Ų149.965%0.64773%0.731SS**  trans49.3100165-56.6-12.6000118.5
81D53.4Low55.9Low150 Ų150148.1 Ų148.180%0.80273%0.729SS**  trans-173.6125.9132.6-85.5-37.9000107.8V83D81-V83 HydrophobicContact CB-CG2 4.18Å; D81-V83 PolarHBondContact O-N 3.2Å
82D54.1Low57.1Low181 Ų181148.6 Ų148.697%0.96873%0.731SS**  trans-65.463.9176.7-66.8-59.3000111.8
83V55.6Low58.7Low93 Ų93142.1 Ų142.156%0.56471%0.714SS**  trans-93.8110.5168.3-166.40000106.2D81 F85D81-V83 HydrophobicContact CB-CG2 4.18Å; D81-V83 PolarHBondContact O-N 3.2Å; V83-F85 HydrophobicContact CB-CD2 3.89Å; V83-F85 HydrophobicContact CB-CE2 3.85Å; V83-F85 HydrophobicContact CG1-CD2 3.98Å; V83-F85 HydrophobicContact CG1-CE2 3.9Å; V83-F85 PolarHBondContact O-N 2.91Å
84D60.4Low60.3Low161 Ų161140.6 Ų140.686%0.86170%0.702SS**  trans-61.570.6168.8-15925.4000108.4P86D84-P86 WeakPolarHBondContact O-CD 3.37Å
85F50.6Low62.1Low153 Ų153137.1 Ų137.167%0.67169%0.69SS**  trans-61.2122166.5-87.1-86.3000104.6V83 V87V83-F85 HydrophobicContact CB-CD2 3.89Å; V83-F85 HydrophobicContact CB-CE2 3.85Å; V83-F85 HydrophobicContact CG1-CD2 3.98Å; V83-F85 HydrophobicContact CG1-CE2 3.9Å; V83-F85 PolarHBondContact O-N 2.91Å; F85-V87 VanDerWaalsContact C-N 3.26Å; F85-V87 PolarHBondContact O-N 3.4Å
86P56.5Low63.9Low104 Ų104134.6 Ų134.668%0.67568%0.681SS**  trans-58.1104.2170.323.1-29.3000105.3D84 Y88D84-P86 WeakPolarHBondContact O-CD 3.37Å; P86-Y88 PolarHBondContact O-N 3.48Å
87V60.2Low65.5Low117 Ų117131 Ų13171%0.70967%0.667SS**  trans-60.692.8166.9176.80000102.5F85 K89F85-V87 VanDerWaalsContact C-N 3.26Å; F85-V87 PolarHBondContact O-N 3.4Å; V87-K89 PolarHBondContact O-N 2.93Å
88Y64.3Low67.5Low200 Ų200126.7 Ų126.778%0.78465%0.652SS**  trans-60.9102176.5-140.5-86.4000102.9P86 D90P86-Y88 PolarHBondContact O-N 3.48Å; Y88-D90 PolarHBondContact O-N 3.5Å
89K64.9Low69.4Low134 Ų134126.4 Ų126.458%0.58365%0.646SS**  trans-49115.5177.8-76.2-172.9176.2-171.50105.3V87 P91 Y95V87-K89 PolarHBondContact O-N 2.93Å; K89-P91 VanDerWaalsContact O-CD 3.23Å; K89-P91 WeakPolarHBondContact O-CD 3.48Å; K89-Y95 HydrophobicContact CB-CD2 4.09Å; K89-Y95 HydrophobicContact CB-CE2 3.64Å; K89-Y95 HydrophobicContact CD-CD2 4.07Å; K89-Y95 HydrophobicContact CD-CE2 4.4Å; K89-Y95 HydrophobicContact CG-CD2 3.92Å; K89-Y95 HydrophobicContact CG-CE2 3.75Å
90D77.3Confident71.5Confident69 Ų69121.3 Ų121.337%0.36963%0.632SS.*  trans-54.7119.1-179.5-177.5-13.6000106.7Y88 L92 C93Y88-D90 PolarHBondContact O-N 3.5Å; D90-L92 PolarHBondContact O-N 3.38Å; D90-L92 WeakPolarHBondContact OD1-CB 3.27Å; D90-L92 PolarHBondContact OD1-N 3.28Å; D90-C93 HydrophobicContact CB-CB 4.03Å; D90-C93 PolarHBondContact O-N 3.01Å
91P77.7Confident73.5Confident119 Ų119119.3 Ų119.377%0.77362%0.621SS**THydrogen-bonded Turntrans-58-13.7179.8-24.734.9000113.6K89K89-P91 VanDerWaalsContact O-CD 3.23Å; K89-P91 WeakPolarHBondContact O-CD 3.48Å
92L80.6Confident75.2Confident159 Ų159114.4 Ų114.483%0.83260%0.602SS**THydrogen-bonded Turntrans-92.1-16.1175.3-57.2178.9000113.9D90D90-L92 PolarHBondContact O-N 3.38Å; D90-L92 WeakPolarHBondContact OD1-CB 3.27Å; D90-L92 PolarHBondContact OD1-N 3.28Å
93C80.2Confident76.8Confident54 Ų54111.7 Ų111.737%0.36558%0.581SS.*  trans-103.3110.8178.1-64.40000110.4D90 Y95D90-C93 HydrophobicContact CB-CB 4.03Å; D90-C93 PolarHBondContact O-N 3.01Å; C93-Y95 HydrophobicContact CB-CE2 4.18Å; C93-Y95 WeakPolarHBondContact O-CD2 3.48Å; C93-Y95 PolarHBondContact O-N 3.5Å
94D86.4Confident78.5Confident84 Ų84114.8 Ų114.845%0.44958%0.583SS.*  trans-82.392.6169.7-171.1-13.9000110.1E96 E97 D98D94-E96 PolarHBondContact O-N 2.77Å; D94-E96 WeakPolarHBondContact OD1-CB 3.27Å; D94-E96 PolarHBondContact OD1-N 2.82Å; D94-E97 HydrophobicContact CB-CB 3.85Å; D94-E97 PolarHBondContact O-N 3.41Å; D94-E97 PolarHBondContact OD1-N 3.43Å; D94-E97 VanDerWaalsContact OD1-N 3.13Å; D94-D98 PolarHBondContact O-N 2.92Å
95Y85.8Confident79.6Confident96 Ų96110.3 Ų110.338%0.37656%0.561SS.*Hα-helixtrans-60.5-27.4178.3-64.1-84.4000113.5K89 C93 E99K89-Y95 HydrophobicContact CB-CD2 4.09Å; K89-Y95 HydrophobicContact CB-CE2 3.64Å; K89-Y95 HydrophobicContact CD-CD2 4.07Å; K89-Y95 HydrophobicContact CD-CE2 4.4Å; K89-Y95 HydrophobicContact CG-CD2 3.92Å; K89-Y95 HydrophobicContact CG-CE2 3.75Å; C93-Y95 HydrophobicContact CB-CE2 4.18Å; C93-Y95 WeakPolarHBondContact O-CD2 3.48Å; C93-Y95 PolarHBondContact O-N 3.5Å; Y95-E99 WeakPolarHBondContact O-CB 3.45Å; Y95-E99 PolarHBondContact O-N 3.48Å
96E87.4Confident81.1Confident145 Ų145107.9 Ų107.968%0.67855%0.552SS**Hα-helixtrans-74.4-41.8178.6-62.5-177.4-174.300110.1D94 E99 A100D94-E96 PolarHBondContact O-N 2.77Å; D94-E96 WeakPolarHBondContact OD1-CB 3.27Å; D94-E96 PolarHBondContact OD1-N 2.82Å; E96-E99 PolarHBondContact O-N 3.34Å; E96-A100 WeakPolarHBondContact O-CB 3.16Å; E96-A100 PolarHBondContact O-N 3.32Å
97E88.6Confident82.5Confident113 Ų113107.8 Ų107.853%0.52854%0.542SS..Hα-helixtrans-63.3-42.4172.5-170177-171.700111.3D94 E99 A100 N101D94-E97 HydrophobicContact CB-CB 3.85Å; D94-E97 PolarHBondContact O-N 3.41Å; D94-E97 PolarHBondContact OD1-N 3.43Å; D94-E97 VanDerWaalsContact OD1-N 3.13Å; E97-E99 PolarHBondContact O-N 3.03Å; E97-A100 PolarHBondContact O-N 3.29Å; E97-N101 VanDerWaalsContact O-CB 3.3Å; E97-N101 WeakPolarHBondContact O-CB 3.38Å; E97-N101 PolarHBondContact O-N 3.49Å; E97-N101 PolarHBondContact O-ND2 2.79Å
98D88.4Confident83.6Confident88 Ų88106.5 Ų106.547%0.47153%0.531SS..Hα-helixtrans-61-43.8176.7-75.9-24.7000112.3D94 N101 A102D94-D98 PolarHBondContact O-N 2.92Å; D98-N101 PolarHBondContact O-N 2.58Å; D98-A102 WeakPolarHBondContact O-CB 3.34Å; D98-A102 PolarHBondContact O-N 3.05Å
99E90Very high84.4Confident151 Ų151100.6 Ų100.671%0.70651%0.513SS*.Hα-helixtrans-65.8-41.8176.4-174.5172.6-175.100111.5Y95 E96 E97 N101 A102 K103Y95-E99 WeakPolarHBondContact O-CB 3.45Å; Y95-E99 PolarHBondContact O-N 3.48Å; E96-E99 PolarHBondContact O-N 3.34Å; E97-E99 PolarHBondContact O-N 3.03Å; E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 2.98Å; E99-A102 PolarHBondContact O-N 3.01Å; E99-K103 WeakPolarHBondContact O-CB 3.26Å; E99-K103 PolarHBondContact O-N 3.38Å
100A91.7Very high84.8Confident55 Ų5596.7 Ų96.746%0.45550%0.502SS..Hα-helixtrans-61.6-43.2175.100000111.6E96 E97 K103 W104E96-A100 WeakPolarHBondContact O-CB 3.16Å; E96-A100 PolarHBondContact O-N 3.32Å; E97-A100 PolarHBondContact O-N 3.29Å; A100-K103 PolarHBondContact O-N 2.77Å; A100-W104 WeakPolarHBondContact O-CB 3.49Å; A100-W104 PolarHBondContact O-N 2.91Å
101N90.1Very high84.4Confident80 Ų8094.3 Ų94.343%0.42849%0.493SS..Hα-helixtrans-64.7-44.6176.5-73.7-20.9000111.5E97 D98 E99 K103 W104 V105E97-N101 VanDerWaalsContact O-CB 3.3Å; E97-N101 WeakPolarHBondContact O-CB 3.38Å; E97-N101 PolarHBondContact O-N 3.49Å; E97-N101 PolarHBondContact O-ND2 2.79Å; D98-N101 PolarHBondContact O-N 2.58Å; E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 2.98Å; N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 2.71Å; N101-W104 PolarHBondContact O-N 3.42Å; N101-V105 WeakPolarHBondContact O-CG2 3.47Å; N101-V105 PolarHBondContact O-N 2.63Å
102A88.4Confident84.1Confident47 Ų4790.2 Ų90.239%0.38847%0.472SS..Hα-helixtrans-59.8-41.7175.900000111.5D98 E99 Q106D98-A102 WeakPolarHBondContact O-CB 3.34Å; D98-A102 PolarHBondContact O-N 3.05Å; E99-A102 PolarHBondContact O-N 3.01Å; A102-Q106 VanDerWaalsContact O-CG 3.27Å; A102-Q106 WeakPolarHBondContact O-CG 3.15Å; A102-Q106 PolarHBondContact O-N 3.47Å
103K88.3Confident83.3Confident124 Ų12489 Ų8954%0.53946%0.461SS..Hα-helixtrans-65.3-43.6174.7-173.8179.9174.6-172.70111.8E99 A100 N101 V105 Q106 E107E99-K103 WeakPolarHBondContact O-CB 3.26Å; E99-K103 PolarHBondContact O-N 3.38Å; A100-K103 PolarHBondContact O-N 2.77Å; N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 2.71Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-V105 PolarHBondContact O-N 2.83Å; K103-Q106 PolarHBondContact O-N 2.83Å; K103-E107 WeakPolarHBondContact CE-OE1 3.23Å; K103-E107 WeakPolarHBondContact O-CB 3.29Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 2.9Å
104W89.9Confident82.5Confident158 Ų15889.3 Ų89.360%0.59846%0.463SS*.Hα-helixtrans-60.1-44.9177.2-175.993.8000111.6A100 N101 E107 N108A100-W104 WeakPolarHBondContact O-CB 3.49Å; A100-W104 PolarHBondContact O-N 2.91Å; N101-W104 PolarHBondContact O-N 3.42Å; W104-E107 PolarHBondContact O-N 2.95Å; W104-N108 HydrophobicContact CD2-CB 4.19Å; W104-N108 HydrophobicContact CE3-CB 4.29Å; W104-N108 HydrophobicContact CH2-CB 3.98Å; W104-N108 HydrophobicContact CZ2-CB 3.86Å; W104-N108 HydrophobicContact CZ3-CB 4.2Å; W104-N108 PolarHBondContact NE1-ND2 2.89Å; W104-N108 WeakPolarHBondContact O-CB 3.5Å; W104-N108 PolarHBondContact O-N 3.34Å; W104-N108 PolarHBondContact O-ND2 2.92Å
105V85.4Confident81.5Confident67 Ų6794.7 Ų94.741%0.40648%0.482SS..Hα-helixtrans-59.5-49.3175.5171.20000109.8N101 K103 E107 N108 L109N101-V105 WeakPolarHBondContact O-CG2 3.47Å; N101-V105 PolarHBondContact O-N 2.63Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-V105 PolarHBondContact O-N 2.83Å; V105-E107 PolarHBondContact O-N 3.16Å; V105-N108 PolarHBondContact O-N 2.84Å; V105-L109 HydrophobicContact CG1-CD1 4.47Å; V105-L109 HydrophobicContact CG1-CD2 4.44Å; V105-L109 WeakPolarHBondContact O-CB 3.32Å; V105-L109 PolarHBondContact O-N 3.45Å
106Q81.4Confident80.9Confident102 Ų10298.1 Ų98.148%0.47750%0.499SS..Hα-helixtrans-60-29.6179.1-72.6175.127.900113.9A102 K103 G112 K113A102-Q106 VanDerWaalsContact O-CG 3.27Å; A102-Q106 WeakPolarHBondContact O-CG 3.15Å; A102-Q106 PolarHBondContact O-N 3.47Å; K103-Q106 PolarHBondContact O-N 2.83Å; Q106-G112 CarbonylContact O-C 3.54Å; Q106-K113 HydrophobicContact CB-CG 4.46Å; Q106-K113 PolarHBondContact O-N 3.3Å
107E84.6Confident80.9Confident102 Ų10293.9 Ų93.948%0.47749%0.485SS..Hα-helixtrans-86.8-32.8-179.4-71.6176.1178.200113K103 W104 V105K103-E107 WeakPolarHBondContact CE-OE1 3.23Å; K103-E107 WeakPolarHBondContact O-CB 3.29Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 2.9Å; W104-E107 PolarHBondContact O-N 2.95Å; V105-E107 PolarHBondContact O-N 3.16Å
108N84.5Confident80.9Confident89 Ų8992.3 Ų92.348%0.47648%0.481SS..Hα-helixtrans-105.7-11-172.2-68.6-88.3000114.4W104 V105W104-N108 HydrophobicContact CD2-CB 4.19Å; W104-N108 HydrophobicContact CE3-CB 4.29Å; W104-N108 HydrophobicContact CH2-CB 3.98Å; W104-N108 HydrophobicContact CZ2-CB 3.86Å; W104-N108 HydrophobicContact CZ3-CB 4.2Å; W104-N108 PolarHBondContact NE1-ND2 2.89Å; W104-N108 WeakPolarHBondContact O-CB 3.5Å; W104-N108 PolarHBondContact O-N 3.34Å; W104-N108 PolarHBondContact O-ND2 2.92Å; V105-N108 PolarHBondContact O-N 2.84Å
109L81.8Confident81Confident76 Ų7688.2 Ų88.240%0.39846%0.459SS..SBendtrans-65.5139.4178.1-153.264.1000110.4V105 G111 G112 L132V105-L109 HydrophobicContact CG1-CD1 4.47Å; V105-L109 HydrophobicContact CG1-CD2 4.44Å; V105-L109 WeakPolarHBondContact O-CB 3.32Å; V105-L109 PolarHBondContact O-N 3.45Å; L109-G111 PolarHBondContact O-N 3.23Å; L109-G111 VanDerWaalsContact O-N 3.13Å; L109-G112 WeakPolarHBondContact O-CA 3.45Å; L109-G112 PolarHBondContact O-N 2.81Å; L109-L132 HydrophobicContact CD1-CD1 3.4Å; L109-L132 VanDerWaalsContact CD1-CD1 3.4Å; L109-L132 HydrophobicContact CD2-CD1 3.91Å; L109-L132 HydrophobicContact CG-CD1 3.53Å
110P72.4Confident81.2Confident53 Ų5384.2 Ų84.234%0.34444%0.442SS..THydrogen-bonded Turntrans-56120.1173.6-27.436.3000111.2H148 I150P110-H148 HydrophobicContact CB-CB 4.47Å; P110-I150 HydrophobicContact CB-CD1 3.9Å; P110-I150 HydrophobicContact CB-CG1 3.99Å; P110-I150 HydrophobicContact CG-CD1 3.66Å; P110-I150 HydrophobicContact CG-CG1 3.91Å
111G68.5Low81.3Confident19 Ų1981.6 Ų81.620%0.19642%0.421CS..THydrogen-bonded Turntrans951.2-172.300000114.9L109 S114L109-G111 PolarHBondContact O-N 3.23Å; L109-G111 VanDerWaalsContact O-N 3.13Å; G111-S114 VanDerWaalsContact O-CB 3.23Å; G111-S114 WeakPolarHBondContact O-CB 3.34Å; G111-S114 PolarHBondContact O-N 3.28Å
112G70.7Confident81.6Confident32 Ų3279.1 Ų79.133%0.3341%0.407SS..THydrogen-bonded Turntrans55.9-139.1172.900000113.4Q106 L109 S114Q106-G112 CarbonylContact O-C 3.54Å; L109-G112 WeakPolarHBondContact O-CA 3.45Å; L109-G112 PolarHBondContact O-N 2.81Å; G112-S114 PolarHBondContact O-N 2.74Å
113K65Low81.9Confident135 Ų13576.9 Ų76.959%0.58739%0.389SS*.THydrogen-bonded Turntrans-72.917.2179.4-62-178.3-179.5177.60114Q106 K115Q106-K113 HydrophobicContact CB-CG 4.46Å; Q106-K113 PolarHBondContact O-N 3.3Å; K113-K115 WeakPolarHBondContact O-CG 3.4Å; K113-K115 PolarHBondContact O-N 3.11Å
114S63.5Low82.2Confident59 Ų5972.9 Ų72.941%0.41338%0.375SS..  trans-66.296.3-178.3-164.80000109.9G111 G112 K116G111-S114 VanDerWaalsContact O-CB 3.23Å; G111-S114 WeakPolarHBondContact O-CB 3.34Å; G111-S114 PolarHBondContact O-N 3.28Å; G112-S114 PolarHBondContact O-N 2.74Å; S114-K116 PolarHBondContact O-N 3.39Å; S114-K116 VanDerWaalsContact O-N 3.1Å
115K64.4Low82.5Confident198 Ų19868 Ų6886%0.86137%0.374SS*.  trans-71.11.3-174.6-66-174.6178.4-1770114.1K113K113-K115 WeakPolarHBondContact O-CG 3.4Å; K113-K115 PolarHBondContact O-N 3.11Å
116K74.8Confident83Confident167 Ų16767.1 Ų67.173%0.72637%0.371SS*.  trans-131.678.4-171.7-62.8-172.9-179.5-176.10110.2S114S114-K116 PolarHBondContact O-N 3.39Å; S114-K116 VanDerWaalsContact O-N 3.1Å
117S86.2Confident83.6Confident56 Ų5669 Ų6939%0.39238%0.381SS..  trans-96137.7162.2560000109L132S117-L132 WeakPolarHBondContact CB-O 3.3Å; S117-L132 PolarHBondContact OG-O 2.74Å
118D88.6Confident84.1Confident80 Ų8065 Ų6543%0.42837%0.365SS..SBendtrans-79.2-33.2178.6-68.9-27.7000111.5S134 H135 R136 H219D118-S134 PolarHBondContact N-O 2.92Å; D118-H135 VanDerWaalsContact OD2-CA 3.26Å; D118-H135 WeakPolarHBondContact OD2-CA 3.22Å; D118-R136 HydrophobicContact CB-CB 4.41Å; D118-R136 PolarHBondContact OD2-N 3.4Å; D118-H219 PolarHBondContact O-CE1 3.22Å; D118-H219 PolarHBondContact O-ND1 3.13Å
119A91.7Very high84.6Confident3 Ų363.2 Ų63.23%0.02536%0.357CS..  trans-157.5156.8179.500000111.5L121 S134 Y144 A217 S218A119-L121 HydrophobicContact CB-CD2 4.14Å; A119-S134 PolarHBondContact N-OG 3.2Å; A119-S134 PolarHBondContact O-OG 2.93Å; A119-Y144 HydrophobicContact CB-CD1 4.44Å; A119-Y144 HydrophobicContact CB-CE1 3.9Å; A119-A217 HydrophobicContact CB-CB 4.02Å; A119-S218 WeakPolarHBondContact CA-O 3.38Å
120I92.9Very high85.2Confident67 Ų6759.6 Ų59.634%0.34434%0.338SS..EExtended strand (participates in β ladder)trans-89.1128160.5-61.9170.8000107.7V129 L132 S218I120-V129 HydrophobicContact CG2-CG1 4.25Å; I120-L132 HydrophobicContact CD1-CD2 4.41Å; I120-L132 HydrophobicContact CG1-CD2 4.33Å; I120-L132 HydrophobicContact CG2-CD2 4.09Å; I120-S218 PolarHBondContact N-O 2.99Å; I120-S218 PolarHBondContact O-N 2.94Å
121L94.8Very high86.2Confident0 Ų057.1 Ų57.10%032%0.321CS..EExtended strand (participates in β ladder)trans-100.4129.2-177.9-54.8-176.5000110.4A119 L130 S131 Y144 F212 V215 A217A119-L121 HydrophobicContact CB-CD2 4.14Å; L121-L130 HydrophobicContact CB-CB 4.32Å; L121-L130 PolarHBondContact O-N 3.46Å; L121-S131 PolarHBondContact N-O 3.46Å; L121-S131 PolarHBondContact O-N 2.91Å; L121-Y144 HydrophobicContact CD1-CG 4.37Å; L121-Y144 HydrophobicContact CD2-CD1 4.09Å; L121-Y144 HydrophobicContact CD2-CD2 3.89Å; L121-Y144 HydrophobicContact CD2-CE2 4.37Å; L121-Y144 HydrophobicContact CD2-CG 3.73Å; L121-F212 HydrophobicContact CD1-CB 4.43Å; L121-F212 HydrophobicContact CD1-CD2 3.3Å; L121-F212 HydrophobicContact CD1-CE2 3.64Å; L121-F212 HydrophobicContact CD1-CG 4.05Å; L121-V215 HydrophobicContact CD2-CG2 4.05Å; L121-A217 HydrophobicContact CD2-CB 4.22Å
122N95.4Very high87.3Confident28 Ų2858 Ų5815%0.1532%0.322CS..EExtended strand (participates in β ladder)trans-119.7148.9178.3-62-34.3000111.1S128 L216 S218N122-S128 WeakPolarHBondContact CA-O 3.35Å; N122-L216 HydrophobicContact CB-CB 4.15Å; N122-L216 PolarHBondContact N-O 2.89Å; N122-L216 PolarHBondContact O-N 3.2Å; N122-S218 PolarHBondContact ND2-OG 3.24Å
123C95.8Very high88.2Confident0 Ų057 Ų570%031%0.309CS..  trans-67.7130.8176.7-178.70000110.6G125 M127 S128 L130 C193C123-G125 VanDerWaalsContact C-N 3.26Å; C123-G125 PolarHBondContact O-N 3.43Å; C123-G125 PolarHBondContact SG-N 2.92Å; C123-M127 WeakPolarHBondContact O-CA 3.48Å; C123-M127 PolarHBondContact O-N 2.8Å; C123-S128 PolarHBondContact N-O 3.15Å; C123-L130 HydrophobicContact CB-CD1 4.13Å; C123-L130 HydrophobicContact CB-CD2 4.11Å; C123-L130 HydrophobicContact CB-CG 4.07Å; C123-C193 HydrophobicContact CB-CB 4.47Å; C123-C193 VanDerWaalsContact SG-SG 3.69Å
124P95.2Very high89.5Confident40 Ų4050.6 Ų50.626%0.2628%0.281SS..THydrogen-bonded Turntrans-67.8-25.7178.727.2-34.5000113.2D214 L216P124-D214 WeakPolarHBondContact CD-O 3.45Å; P124-L216 HydrophobicContact CB-CG 4.37Å
125G94.3Very high90.8Very high56 Ų5650.5 Ų50.558%0.57727%0.274SS*.THydrogen-bonded Turntrans-80.1-42-178.500000114.5C123C123-G125 VanDerWaalsContact C-N 3.26Å; C123-G125 PolarHBondContact O-N 3.43Å; C123-G125 PolarHBondContact SG-N 2.92Å
126C95.9Very high92.2Very high48 Ų4845.5 Ų45.532%0.32425%0.25SC..THydrogen-bonded Turntrans-128.63.3-173.564.60000114.5S128 C196C126-S128 PolarHBondContact O-N 3.22Å; C126-S128 PolarHBondContact SG-OG 2.93Å; C126-C196 HydrophobicContact CB-CB 3.93Å; C126-C196 PolarHBondContact SG-SG 3.43Å
127M95.5Very high92.9Very high140 Ų14039.7 Ų39.769%0.6923%0.225SC*.  trans59.310.8-177.9-56.3-178177.900115.2C123 L216C123-M127 WeakPolarHBondContact O-CA 3.48Å; C123-M127 PolarHBondContact O-N 2.8Å; M127-L216 HydrophobicContact CG-CD1 4.43Å
128S95.3Very high93Very high20 Ų2042.3 Ų42.314%0.1424%0.241CC..  trans-63.1140.7173.969.20000111N122 C123 C126 L130 C193N122-S128 WeakPolarHBondContact CA-O 3.35Å; C123-S128 PolarHBondContact N-O 3.15Å; C126-S128 PolarHBondContact O-N 3.22Å; C126-S128 PolarHBondContact SG-OG 2.93Å; S128-L130 PolarHBondContact O-N 3.04Å; S128-C193 PolarHBondContact OG-SG 3.39Å
129V94.7Very high92.9Very high51 Ų5146.1 Ų46.131%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-62.6124.9175.4-178.10000110.3I120 L132 I150 N151I120-V129 HydrophobicContact CG2-CG1 4.25Å; V129-L132 HydrophobicContact CG1-CD2 3.84Å; V129-L132 HydrophobicContact CG1-CG 4.1Å; V129-I150 HydrophobicContact CG1-CD1 4.38Å; V129-N151 PolarHBondContact O-ND2 3.05Å
130L94.6Very high92.7Very high0 Ų051.1 Ų51.10%028%0.277CS..EExtended strand (participates in β ladder)trans-98.8-31.2176.5-65.6176.6000112.8L121 C123 S128 P149 I150 C193 V200 F212 V215L121-L130 HydrophobicContact CB-CB 4.32Å; L121-L130 PolarHBondContact O-N 3.46Å; C123-L130 HydrophobicContact CB-CD1 4.13Å; C123-L130 HydrophobicContact CB-CD2 4.11Å; C123-L130 HydrophobicContact CB-CG 4.07Å; S128-L130 PolarHBondContact O-N 3.04Å; L130-P149 CarbonylContact O-C 3.53Å; L130-P149 WeakPolarHBondContact O-CA 3.18Å; L130-I150 CarbonylContact C-O 3.57Å; L130-I150 VanDerWaalsContact CA-O 3.23Å; L130-I150 WeakPolarHBondContact CA-O 3.47Å; L130-I150 PolarHBondContact O-N 2.61Å; L130-C193 HydrophobicContact CD2-CB 4.4Å; L130-V200 HydrophobicContact CD1-CB 3.99Å; L130-V200 HydrophobicContact CD1-CG1 3.72Å; L130-V200 HydrophobicContact CD1-CG2 4.43Å; L130-V200 HydrophobicContact CD2-CG1 4.38Å; L130-F212 HydrophobicContact CB-CE1 4.39Å; L130-F212 HydrophobicContact CB-CZ 4.32Å; L130-F212 HydrophobicContact CD1-CD1 4.48Å; L130-F212 HydrophobicContact CD1-CE1 4.25Å; L130-V215 HydrophobicContact CD1-CG1 3.64Å
131S93Very high92.4Very high0 Ų055.3 Ų55.30%029%0.293CS..EExtended strand (participates in β ladder)trans-164.1141.8173.6-172.30000111.2L121 V133 T146 H148L121-S131 PolarHBondContact N-O 3.46Å; L121-S131 PolarHBondContact O-N 2.91Å; S131-V133 PolarHBondContact OG-N 2.91Å; S131-V133 PolarHBondContact OG-O 2.95Å; S131-V133 VanDerWaalsContact OG-O 3.05Å; S131-T146 WeakPolarHBondContact OG-CB 3.41Å; S131-T146 PolarHBondContact OG-OG1 3.36Å; S131-H148 PolarHBondContact OG-O 3.12Å
132L91.3Very high92.1Very high38 Ų3860.4 Ų60.420%0.19932%0.324CS..SBendtrans-95.5-26173.3-64.5170.5000112.3L109 S117 I120 V129 I150L109-L132 HydrophobicContact CD1-CD1 3.4Å; L109-L132 VanDerWaalsContact CD1-CD1 3.4Å; L109-L132 HydrophobicContact CD2-CD1 3.91Å; L109-L132 HydrophobicContact CG-CD1 3.53Å; S117-L132 WeakPolarHBondContact CB-O 3.3Å; S117-L132 PolarHBondContact OG-O 2.74Å; I120-L132 HydrophobicContact CD1-CD2 4.41Å; I120-L132 HydrophobicContact CG1-CD2 4.33Å; I120-L132 HydrophobicContact CG2-CD2 4.09Å; V129-L132 HydrophobicContact CG1-CD2 3.84Å; V129-L132 HydrophobicContact CG1-CG 4.1Å; L132-I150 HydrophobicContact CB-CD1 4.28Å; L132-I150 HydrophobicContact CD1-CD1 3.65Å; L132-I150 HydrophobicContact CG-CD1 3.61Å
133V89.7Confident92Very high11 Ų1161.2 Ų61.27%0.06733%0.327CS..SBendtrans-114.897.4178.1-178.80000108.3S131 T146S131-V133 PolarHBondContact OG-N 2.91Å; S131-V133 PolarHBondContact OG-O 2.95Å; S131-V133 VanDerWaalsContact OG-O 3.05Å; V133-T146 WeakPolarHBondContact O-CB 3.5Å; V133-T146 PolarHBondContact O-OG1 3.03Å
134S91.6Very high92Very high0 Ų061.6 Ų61.60%033%0.329CS..  trans-123.3154.2177.275.90000111.8D118 A119D118-S134 PolarHBondContact N-O 2.92Å; A119-S134 PolarHBondContact N-OG 3.2Å; A119-S134 PolarHBondContact O-OG 2.93Å
135H91.9Very high91.9Very high58 Ų5863 Ų6327%0.26933%0.329SS..EExtended strand (participates in β ladder)trans-122.6133.5175.1-62.3-57.2000109.6D118 Y144 Y145D118-H135 VanDerWaalsContact OD2-CA 3.26Å; D118-H135 WeakPolarHBondContact OD2-CA 3.22Å; H135-Y144 CarbonylContact O-C 3.48Å; H135-Y144 VanDerWaalsContact O-CA 3.3Å; H135-Y144 WeakPolarHBondContact O-CA 3.34Å; H135-Y145 HydrophobicContact CB-CD1 4.08Å; H135-Y145 HydrophobicContact CB-CD2 4.14Å; H135-Y145 HydrophobicContact CB-CE1 3.53Å; H135-Y145 HydrophobicContact CB-CE2 3.61Å; H135-Y145 HydrophobicContact CB-CG 4.37Å; H135-Y145 WeakPolarHBondContact CB-OH 3.48Å; H135-Y145 AromaticContact CD2-CE2 3.86Å; H135-Y145 PolarHBondContact N-O 2.93Å; H135-Y145 VanDerWaalsContact O-CD1 3.29Å; H135-Y145 WeakPolarHBondContact O-CD1 3.23Å; H135-Y145 PolarHBondContact O-N 3.27Å
136R92.8Very high91.8Very high93 Ų9360.4 Ų60.435%0.35130%0.302SS..EExtended strand (participates in β ladder)trans-75.5138.8178.4-179.1174.5-98.1-147.4-6.3110.2D118 K141 Y144D118-R136 HydrophobicContact CB-CB 4.41Å; D118-R136 PolarHBondContact OD2-N 3.4Å; R136-K141 PolarHBondContact NE-O 2.83Å; R136-K141 PolarHBondContact NH2-O 2.89Å; R136-Y144 HydrophobicContact CB-CD1 4Å; R136-Y144 HydrophobicContact CB-CE1 3.8Å; R136-Y144 HydrophobicContact CG-CE1 4.12Å; R136-Y144 PolarHBondContact NE-OH 3.24Å; R136-Y144 PolarHBondContact NH2-OH 3.49Å
137H90.6Very high91.6Very high45 Ų4563.9 Ų63.921%0.20831%0.313CS..  trans-64.6133.5175.8-172.8-94.3000110.8H139 F140 Q143H137-H139 VanDerWaalsContact C-N 3.27Å; H137-H139 AromaticContact CE1-CD2 3.9Å; H137-H139 PolarHBondContact ND1-N 3.29Å; H137-H139 PolarHBondContact O-N 3.44Å; H137-F140 HydrophobicContact CB-CB 4.28Å; H137-F140 AromaticContact CE1-CD2 3.48Å; H137-F140 VanDerWaalsContact CE1-CD2 3.48Å; H137-F140 WeakPolarHBondContact CE1-CD2 3.38Å; H137-F140 AromaticContact ND1-CD2 3.34Å; H137-F140 VanDerWaalsContact ND1-CD2 3.34Å; H137-F140 WeakPolarHBondContact ND1-CD2 3.47Å; H137-F140 AromaticContact ND1-CG 3.88Å; H137-F140 PolarHBondContact ND1-N 2.9Å; H137-F140 VanDerWaalsContact ND1-N 3.19Å; H137-F140 PolarHBondContact O-N 2.93Å; H137-Q143 HydrophobicContact CB-CB 3.85Å; H137-Q143 WeakPolarHBondContact CB-O 3.46Å; H137-Q143 PolarHBondContact N-O 3.23Å
138P87.4Confident91.4Very high111 Ų11160.8 Ų60.872%0.72130%0.297SS*.SBendtrans-58.1-34.9-175.1-27.534.6000114.7
139H86.9Confident91.2Very high159 Ų15962.4 Ų62.474%0.73631%0.307SS*.SBendtrans-98.2-24.7-178.2-61.2-71.6000114.1H137H137-H139 VanDerWaalsContact C-N 3.27Å; H137-H139 AromaticContact CE1-CD2 3.9Å; H137-H139 PolarHBondContact ND1-N 3.29Å; H137-H139 PolarHBondContact O-N 3.44Å
140F88.4Confident91.1Very high108 Ų10861.6 Ų61.647%0.47430%0.301SS..  trans-122.4100.8-169.7-64.9-61.1000109.2H137 T142 Q143H137-F140 HydrophobicContact CB-CB 4.28Å; H137-F140 AromaticContact CE1-CD2 3.48Å; H137-F140 VanDerWaalsContact CE1-CD2 3.48Å; H137-F140 WeakPolarHBondContact CE1-CD2 3.38Å; H137-F140 AromaticContact ND1-CD2 3.34Å; H137-F140 VanDerWaalsContact ND1-CD2 3.34Å; H137-F140 WeakPolarHBondContact ND1-CD2 3.47Å; H137-F140 AromaticContact ND1-CG 3.88Å; H137-F140 PolarHBondContact ND1-N 2.9Å; H137-F140 VanDerWaalsContact ND1-N 3.19Å; H137-F140 PolarHBondContact O-N 2.93Å; F140-T142 PolarHBondContact O-N 3.02Å; F140-T142 VanDerWaalsContact O-N 3.12Å; F140-Q143 HydrophobicContact CB-CB 3.93Å; F140-Q143 HydrophobicContact CB-CG 3.84Å; F140-Q143 PolarHBondContact O-N 3.1Å
141K85.9Confident91.1Very high156 Ų15664.5 Ų64.568%0.67832%0.316SS*.THydrogen-bonded Turntrans-58-28.3-177.3-70.8-173.3-179.8-1780113.4R136R136-K141 PolarHBondContact NE-O 2.83Å; R136-K141 PolarHBondContact NH2-O 2.89Å
142T88.7Confident91.1Very high106 Ų10665.8 Ų65.865%0.6533%0.325SS*.THydrogen-bonded Turntrans-87.9-6-179.253.80000113.8F140F140-T142 PolarHBondContact O-N 3.02Å; F140-T142 VanDerWaalsContact O-N 3.12Å
143Q92.7Very high91.2Very high46 Ų4668 Ų6822%0.21534%0.337CS..  trans-104.9139.5-179.2-65.6177.411.200110.1H137 F140 F212H137-Q143 HydrophobicContact CB-CB 3.85Å; H137-Q143 WeakPolarHBondContact CB-O 3.46Å; H137-Q143 PolarHBondContact N-O 3.23Å; F140-Q143 HydrophobicContact CB-CB 3.93Å; F140-Q143 HydrophobicContact CB-CG 3.84Å; F140-Q143 PolarHBondContact O-N 3.1Å; Q143-F212 WeakPolarHBondContact CA-O 3.48Å
144Y95Very high91.4Very high8 Ų870.6 Ų70.63%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-129.7155.4178-64.2-92.2000109.1A119 L121 H135 R136 F212 V215 A217 H219A119-Y144 HydrophobicContact CB-CD1 4.44Å; A119-Y144 HydrophobicContact CB-CE1 3.9Å; L121-Y144 HydrophobicContact CD1-CG 4.37Å; L121-Y144 HydrophobicContact CD2-CD1 4.09Å; L121-Y144 HydrophobicContact CD2-CD2 3.89Å; L121-Y144 HydrophobicContact CD2-CE2 4.37Å; L121-Y144 HydrophobicContact CD2-CG 3.73Å; H135-Y144 CarbonylContact O-C 3.48Å; H135-Y144 VanDerWaalsContact O-CA 3.3Å; H135-Y144 WeakPolarHBondContact O-CA 3.34Å; R136-Y144 HydrophobicContact CB-CD1 4Å; R136-Y144 HydrophobicContact CB-CE1 3.8Å; R136-Y144 HydrophobicContact CG-CE1 4.12Å; R136-Y144 PolarHBondContact NE-OH 3.24Å; R136-Y144 PolarHBondContact NH2-OH 3.49Å; Y144-F212 PolarHBondContact N-O 2.94Å; Y144-F212 VanDerWaalsContact N-O 3.15Å; Y144-F212 PolarHBondContact O-N 3.13Å; Y144-V215 HydrophobicContact CD2-CG2 4.08Å; Y144-A217 HydrophobicContact CE2-CB 3.78Å; Y144-H219 PolarHBondContact OH-CE1 3.49Å; Y144-H219 PolarHBondContact OH-NE2 2.98Å
145Y93.9Very high91.3Very high70 Ų7073 Ų7328%0.27536%0.362SS..EExtended strand (participates in β ladder)trans-131.7152.7170.967-87.4000110.7H135 V209 I210H135-Y145 HydrophobicContact CB-CD1 4.08Å; H135-Y145 HydrophobicContact CB-CD2 4.14Å; H135-Y145 HydrophobicContact CB-CE1 3.53Å; H135-Y145 HydrophobicContact CB-CE2 3.61Å; H135-Y145 HydrophobicContact CB-CG 4.37Å; H135-Y145 WeakPolarHBondContact CB-OH 3.48Å; H135-Y145 AromaticContact CD2-CE2 3.86Å; H135-Y145 PolarHBondContact N-O 2.93Å; H135-Y145 VanDerWaalsContact O-CD1 3.29Å; H135-Y145 WeakPolarHBondContact O-CD1 3.23Å; H135-Y145 PolarHBondContact O-N 3.27Å; Y145-V209 HydrophobicContact CD2-CG1 3.71Å; Y145-V209 HydrophobicContact CG-CG1 4.09Å; Y145-I210 CarbonylContact C-O 3.59Å; Y145-I210 WeakPolarHBondContact CA-O 3.27Å; Y145-I210 WeakPolarHBondContact CB-O 3.39Å
146T93.2Very high91.1Very high0 Ų077 Ų770%038%0.381CS..EExtended strand (participates in β ladder)trans-142.8152.3176.7-169.10000110.8S131 V133 H148 P149 V209 I210 F212S131-T146 WeakPolarHBondContact OG-CB 3.41Å; S131-T146 PolarHBondContact OG-OG1 3.36Å; V133-T146 WeakPolarHBondContact O-CB 3.5Å; V133-T146 PolarHBondContact O-OG1 3.03Å; T146-H148 PolarHBondContact OG1-N 2.97Å; T146-P149 HydrophobicContact CG2-CB 4.22Å; T146-V209 WeakPolarHBondContact O-CA 3.44Å; T146-I210 HydrophobicContact CG2-CB 4.36Å; T146-I210 PolarHBondContact N-O 2.82Å; T146-I210 PolarHBondContact O-N 2.7Å; T146-F212 HydrophobicContact CG2-CD2 4.39Å; T146-F212 HydrophobicContact CG2-CE2 3.36Å; T146-F212 HydrophobicContact CG2-CZ 3.93Å
147E91.1Very high90.7Very high121 Ų12178.3 Ų78.357%0.56540%0.4SS*.SBendtrans-99.4-12.2165.1-66.1175.3-179.400111.7P149 V209E147-P149 VanDerWaalsContact O-CD 3.22Å; E147-P149 WeakPolarHBondContact O-CD 3.48Å; E147-V209 HydrophobicContact CG-CG2 3.91Å
148H90.7Very high90.4Very high75 Ų7581.3 Ų81.335%0.34741%0.414SS..SBendtrans-12268-173.1-56.593.2000110.3P110 S131 T146P110-H148 HydrophobicContact CB-CB 4.47Å; S131-H148 PolarHBondContact OG-O 3.12Å; T146-H148 PolarHBondContact OG1-N 2.97Å
149P91.8Very high90.2Very high54 Ų5480.4 Ų80.435%0.35140%0.402SS..BIsolated β-bridgetrans-69.8146.7175.233.5-39000111.3L130 T146 E147 C152 I210L130-P149 CarbonylContact O-C 3.53Å; L130-P149 WeakPolarHBondContact O-CA 3.18Å; T146-P149 HydrophobicContact CG2-CB 4.22Å; E147-P149 VanDerWaalsContact O-CD 3.22Å; E147-P149 WeakPolarHBondContact O-CD 3.48Å; P149-C152 HydrophobicContact CB-CB 3.99Å; P149-I210 HydrophobicContact CB-CD1 3.67Å; P149-I210 HydrophobicContact CG-CD1 3.58Å
150I91.9Very high90.1Very high35 Ų3576.1 Ų76.118%0.17938%0.384CS..SBendtrans-124139.1173.5-50.7174.9000105.7P110 V129 L130 L132 C152P110-I150 HydrophobicContact CB-CD1 3.9Å; P110-I150 HydrophobicContact CB-CG1 3.99Å; P110-I150 HydrophobicContact CG-CD1 3.66Å; P110-I150 HydrophobicContact CG-CG1 3.91Å; V129-I150 HydrophobicContact CG1-CD1 4.38Å; L130-I150 CarbonylContact C-O 3.57Å; L130-I150 VanDerWaalsContact CA-O 3.23Å; L130-I150 WeakPolarHBondContact CA-O 3.47Å; L130-I150 PolarHBondContact O-N 2.61Å; L132-I150 HydrophobicContact CB-CD1 4.28Å; L132-I150 HydrophobicContact CD1-CD1 3.65Å; L132-I150 HydrophobicContact CG-CD1 3.61Å; I150-C152 PolarHBondContact O-N 3.4Å; I150-C152 VanDerWaalsContact O-N 3.11Å; I150-C152 PolarHBondContact O-SG 3.22Å; I150-C152 VanDerWaalsContact O-SG 3.39Å
151N93.8Very high89.7Confident61 Ų6175.4 Ų75.433%0.32639%0.389SS..SBendtrans54.932.6177.6-55.3-40.8000115.5V129 K194 V195V129-N151 PolarHBondContact O-ND2 3.05Å; N151-K194 HydrophobicContact CB-CB 4.44Å; N151-K194 VanDerWaalsContact O-CB 3.3Å; N151-K194 WeakPolarHBondContact O-CB 3.24Å; N151-K194 PolarHBondContact O-N 2.86Å; N151-V195 HydrophobicContact CB-CG2 4.38Å
152C93.8Very high89.1Confident27 Ų2772.8 Ų72.818%0.18237%0.374CS..EExtended strand (participates in β ladder)trans-109142.5174.4-63.30000110.7P149 I150 V191 T192P149-C152 HydrophobicContact CB-CB 3.99Å; I150-C152 PolarHBondContact O-N 3.4Å; I150-C152 VanDerWaalsContact O-N 3.11Å; I150-C152 PolarHBondContact O-SG 3.22Å; I150-C152 VanDerWaalsContact O-SG 3.39Å; C152-V191 HydrophobicContact CB-CG1 3.69Å; C152-T192 CarbonylContact C-O 3.44Å; C152-T192 WeakPolarHBondContact CA-O 3.47Å
153L94.4Very high88.1Confident85 Ų8572.9 Ų72.945%0.44538%0.375SS..EExtended strand (participates in β ladder)trans-112.9136.2170.2-68.8175.9000109.3V191 T192 K194L153-V191 WeakPolarHBondContact O-CA 3.3Å; L153-T192 PolarHBondContact N-O 3.47Å; L153-T192 PolarHBondContact O-N 2.96Å; L153-K194 HydrophobicContact CD1-CB 4.23Å; L153-K194 HydrophobicContact CD1-CG 4.11Å; L153-K194 HydrophobicContact CD2-CB 4.4Å; L153-K194 HydrophobicContact CD2-CD 4.34Å; L153-K194 HydrophobicContact CD2-CG 4.08Å; L153-K194 HydrophobicContact CG-CB 3.83Å; L153-K194 HydrophobicContact CG-CG 3.94Å
154L92.6Very high86.7Confident64 Ų6474.7 Ų74.734%0.33539%0.385SS..EExtended strand (participates in β ladder)trans-103.7127.9176.5-61.7173.2000108.4V191 K203 I210L154-V191 HydrophobicContact CD2-CB 4.17Å; L154-V191 HydrophobicContact CD2-CG1 4.08Å; L154-V191 HydrophobicContact CD2-CG2 3.31Å; L154-K203 HydrophobicContact CD1-CD 3.58Å; L154-K203 HydrophobicContact CD2-CB 3.85Å; L154-K203 HydrophobicContact CD2-CD 3.97Å; L154-K203 HydrophobicContact CD2-CG 4.47Å; L154-K203 HydrophobicContact CG-CD 4.43Å; L154-I210 HydrophobicContact CD2-CD1 4.08Å; L154-I210 HydrophobicContact CD2-CG1 4.46Å
155D90.1Very high84.9Confident50 Ų5078.8 Ų78.827%0.26742%0.415SS..  trans-96.896.1169.8-172.8-2.2000109.5T157 Q158 H189 P190D155-T157 PolarHBondContact O-N 3.36Å; D155-T157 WeakPolarHBondContact OD1-CB 3.17Å; D155-T157 PolarHBondContact OD1-N 2.86Å; D155-T157 PolarHBondContact OD1-OG1 3.43Å; D155-Q158 PolarHBondContact O-N 2.92Å; D155-Q158 VanDerWaalsContact OD2-CD 3.26Å; D155-Q158 WeakPolarHBondContact OD2-CG 3.41Å; D155-Q158 PolarHBondContact OD2-NE2 3.26Å; D155-H189 PolarHBondContact O-ND1 3.21Å; D155-P190 HydrophobicContact CB-CG 4.23Å; D155-P190 PolarHBondContact N-O 3.46Å
156E87Confident83.1Confident143 Ų14382.2 Ų82.267%0.66843%0.431SS*.THydrogen-bonded Turntrans-71.4-13.9179.9-62.7-177.8173.200112.7Q158 H189E156-Q158 VanDerWaalsContact C-N 3.33Å; E156-H189 PolarHBondContact O-CE1 3.18Å
157T86Confident81.3Confident121 Ų12188.1 Ų88.174%0.74247%0.47SS*.THydrogen-bonded Turntrans-78-23.8179.971.80000112.4D155D155-T157 PolarHBondContact O-N 3.36Å; D155-T157 WeakPolarHBondContact OD1-CB 3.17Å; D155-T157 PolarHBondContact OD1-N 2.86Å; D155-T157 PolarHBondContact OD1-OG1 3.43Å
158Q83.2Confident79.5Confident107 Ų10790.1 Ų90.150%0.548%0.479SS..  trans-103130.2-178.3-64.5-175.437.300110.4D155 E156 H189 P190D155-Q158 PolarHBondContact O-N 2.92Å; D155-Q158 VanDerWaalsContact OD2-CD 3.26Å; D155-Q158 WeakPolarHBondContact OD2-CG 3.41Å; D155-Q158 PolarHBondContact OD2-NE2 3.26Å; E156-Q158 VanDerWaalsContact C-N 3.33Å; Q158-H189 PolarHBondContact O-ND1 2.81Å; Q158-P190 HydrophobicContact CB-CG 3.76Å; Q158-P190 VanDerWaalsContact O-CD 3.27Å; Q158-P190 WeakPolarHBondContact O-CD 3.41Å
159I84.2Confident77.6Confident93 Ų9394.2 Ų94.248%0.47750%0.503SS..  trans-117.9120.7174.9-59.4174.4000108.8E187 I205I159-E187 HydrophobicContact CG2-CB 3.72Å; I159-E187 HydrophobicContact CG2-CG 3.79Å; I159-I205 HydrophobicContact CD1-CD1 4.4Å; I159-I205 HydrophobicContact CG1-CD1 4.42Å; I159-I205 HydrophobicContact CG2-CD1 4.36Å
160I83.6Confident75.5Confident69 Ų6995.8 Ų95.835%0.35452%0.521SS..EExtended strand (participates in β ladder)trans-100120.5173.1-57.2171.1000107.4Y188 P190I160-Y188 PolarHBondContact N-O 2.99Å; I160-Y188 PolarHBondContact O-N 3.45Å; I160-P190 HydrophobicContact CD1-CB 3.87Å; I160-P190 HydrophobicContact CD1-CG 4.19Å
161T79.7Confident73.6Confident93 Ų93103.5 Ų103.557%0.57155%0.553SS**EExtended strand (participates in β ladder)trans-92129.4172.946.70000109.9E187T161-E187 HydrophobicContact CG2-CG 3.99Å
162R73.3Confident71.3Confident100 Ų100110.6 Ų110.638%0.37758%0.581SS.*EExtended strand (participates in β ladder)trans-114.5124.7169.6-66.6-177.8173.9161.71.1109.4I164 K186 Y188 C202R162-I164 PolarHBondContact O-N 3.4Å; R162-K186 PolarHBondContact N-O 3.23Å; R162-K186 PolarHBondContact O-N 3.05Å; R162-Y188 HydrophobicContact CB-CD2 4.3Å; R162-Y188 HydrophobicContact CB-CE2 3.9Å; R162-Y188 HydrophobicContact CG-CD2 4.17Å; R162-Y188 HydrophobicContact CG-CE2 4.17Å; R162-C202 PolarHBondContact NH1-SG 2.81Å
163T67.8Low69.1Low108 Ų108114.6 Ų114.666%0.66361%0.609SS**EExtended strand (participates in β ladder)trans-83.2105.1171.445.80000108.7S165 T185T163-S165 PolarHBondContact O-N 2.84Å; T163-T185 HydrophobicContact CG2-CG2 4.26Å
164I64.7Low67Low85 Ų85115.6 Ų115.644%0.43662%0.623SS.*EExtended strand (participates in β ladder)trans-84.692.3171.6-54174.7000106.7R162 K166 K186R162-I164 PolarHBondContact O-N 3.4Å; I164-K166 PolarHBondContact O-N 2.9Å; I164-K186 HydrophobicContact CD1-CD 3.85Å; I164-K186 HydrophobicContact CD1-CG 4.4Å
165S56.2Low64.9Low94 Ų94120.6 Ų120.666%0.65765%0.645SS**  trans-68.7117.1168.5-170.30000107.9T163T163-S165 PolarHBondContact O-N 2.84Å
166K56.2Low62.4Low142 Ų142125.9 Ų125.962%0.61767%0.673SS**  trans-64.1134.5169.8-72.5177.7177.7177.50107.7I164 H168I164-K166 PolarHBondContact O-N 2.9Å; K166-H168 PolarHBondContact O-N 3.29Å
167P54.4Low60.2Low124 Ų124123.5 Ų123.581%0.80567%0.672SS**  trans-59.5112.2173.623.7-31.2000108.5N169P167-N169 PolarHBondContact O-N 2.87Å
168H54.9Low58.2Low162 Ų162126.6 Ų126.675%0.7568%0.683SS**  trans-68.5102.9176-173.4-80.4000107.5K166 A170K166-H168 PolarHBondContact O-N 3.29Å; H168-A170 VanDerWaalsContact C-N 3.26Å; H168-A170 PolarHBondContact O-N 3.36Å
169N51.1Low56Low161 Ų161129 Ų12986%0.86169%0.694SS**  trans-60.996.3163.5-96.7-27.7000107.3P167 K171P167-N169 PolarHBondContact O-N 2.87Å; N169-K171 VanDerWaalsContact C-N 3.33Å; N169-K171 PolarHBondContact O-N 3.15Å
170A46.9Very low53.9Low87 Ų87128.7 Ų128.772%0.71970%0.701SS**  trans-67.188.8178.800000110.1H168H168-A170 VanDerWaalsContact C-N 3.26Å; H168-A170 PolarHBondContact O-N 3.36Å
171K50.7Low51.9Low197 Ų197132.3 Ų132.386%0.85772%0.721SS**  trans-109.2119.8155.6-84.6-174.5176.2179.40109.1N169N169-K171 VanDerWaalsContact C-N 3.33Å; N169-K171 PolarHBondContact O-N 3.15Å
172K46.9Very low50.5Low211 Ų211137 Ų13792%0.91773%0.728SS**  trans-40.5127171.2-73.6167.7166.9175.60113.5
173S47.8Very low49.6Very low111 Ų111136.2 Ų136.278%0.77673%0.731SS**  trans170.6106.814152.50000107.6
174S50.3Low49.4Very low105 Ų105134.8 Ų134.873%0.73472%0.722SS**  86.2102.694.4-175.40000111.9
175E47.6Very low49.7Very low170 Ų170134.8 Ų134.879%0.79473%0.726SS**SBendtrans35.7125.3149.6-74.2170120.300120.5
176N36.9Very low50.9Low160 Ų160133.4 Ų133.486%0.85671%0.709SS**  trans68.481.6156-65.9-15.2000117.8
177S41.8Very low52.4Low93 Ų93131.1 Ų131.165%0.6570%0.7SS**  trans-154.2121137.6-156.70000111.7E179S177-E179 PolarHBondContact O-N 2.95Å
178L43.6Very low54.1Low186 Ų186126 Ų12697%0.97467%0.665SS**  trans-72.565.2172.5-76.5158.7000109.9
179E37.7Very low55.9Low157 Ų157119.5 Ų119.573%0.73464%0.635SS**  trans-142109.6-177.7-70.4-172137.700113.3S177S177-E179 PolarHBondContact O-N 2.95Å
180S39.5Very low58Low88 Ų88112.5 Ų112.562%0.61560%0.598SS**  trans7067150.4740000118.6R182S180-R182 PolarHBondContact O-N 2.94Å
181N42.8Very low60.2Low145 Ų145108.4 Ų108.478%0.77556%0.564SS**  trans-69.981.4154.8-145.7-15.3000108N183N181-N183 PolarHBondContact O-N 2.74Å
182R48.8Very low62.4Low192 Ų192101 Ų10173%0.72554%0.536SS*.  trans-70.865.4179.4-63.8-173-173.6176.12.6110.1S180 V184S180-R182 PolarHBondContact O-N 2.94Å; R182-V184 PolarHBondContact O-N 3.39Å; R182-V184 VanDerWaalsContact O-N 3.1Å
183N55.4Low64.7Low82 Ų8291 Ų9144%0.43949%0.492SS..  trans-66.3101.2160.3-70-27.5000106.1N181 T185N181-N183 PolarHBondContact O-N 2.74Å; N183-T185 PolarHBondContact O-N 3.38Å; N183-T185 VanDerWaalsContact O-N 3.11Å
184V63.4Low67Low78 Ų7892.1 Ų92.147%0.47348%0.483SS..EExtended strand (participates in β ladder)trans-78.297.8173.9-176.90000106.2R182 K186R182-V184 PolarHBondContact O-N 3.39Å; R182-V184 VanDerWaalsContact O-N 3.1Å; V184-K186 HydrophobicContact CG1-CG 4.19Å; V184-K186 PolarHBondContact O-N 3.34Å
185T70.5Confident69.2Low85 Ų8591.6 Ų91.652%0.52148%0.475SS..EExtended strand (participates in β ladder)trans-70.1113.6169.346.10000107.8T163 N183T163-T185 HydrophobicContact CG2-CG2 4.26Å; N183-T185 PolarHBondContact O-N 3.38Å; N183-T185 VanDerWaalsContact O-N 3.11Å
186K81.9Confident71.5Confident66 Ų6686.3 Ų86.329%0.28746%0.456SS..EExtended strand (participates in β ladder)trans-99.2136.3171.8-71.9-171.7170.5-154.10109.3R162 I164 V184 Y188 E204R162-K186 PolarHBondContact N-O 3.23Å; R162-K186 PolarHBondContact O-N 3.05Å; I164-K186 HydrophobicContact CD1-CD 3.85Å; I164-K186 HydrophobicContact CD1-CG 4.4Å; V184-K186 HydrophobicContact CG1-CG 4.19Å; V184-K186 PolarHBondContact O-N 3.34Å; K186-Y188 HydrophobicContact CB-CD2 4.38Å; K186-Y188 HydrophobicContact CB-CE2 3.43Å; K186-Y188 VanDerWaalsContact CB-CE2 3.43Å; K186-Y188 WeakPolarHBondContact CB-OH 3.36Å; K186-Y188 VanDerWaalsContact CD-OH 3.26Å; K186-Y188 WeakPolarHBondContact CD-OH 3.5Å; K186-Y188 WeakPolarHBondContact O-CD2 3.27Å; K186-Y188 WeakPolarHBondContact O-CE2 3.42Å; K186-E204 VanDerWaalsContact CD-OE1 3.29Å; K186-E204 WeakPolarHBondContact CD-OE1 3.44Å; K186-E204 VanDerWaalsContact CE-OE1 3.28Å; K186-E204 WeakPolarHBondContact CE-OE1 3.37Å; K186-E204 IonicContact NZ-OE1 2.71Å; K186-E204 PolarHBondContact NZ-OE1 3.5Å; K186-E204 IonicContact NZ-OE2 3.62Å
187E87.7Confident74.2Confident93 Ų9380.9 Ų80.944%0.43544%0.438SS..EExtended strand (participates in β ladder)trans-99.9139.3178.8-70.2177-175.300109.9I159 T161 I205I159-E187 HydrophobicContact CG2-CB 3.72Å; I159-E187 HydrophobicContact CG2-CG 3.79Å; T161-E187 HydrophobicContact CG2-CG 3.99Å; E187-I205 HydrophobicContact CB-CD1 3.41Å; E187-I205 VanDerWaalsContact CB-CD1 3.41Å; E187-I205 HydrophobicContact CB-CG1 4.03Å; E187-I205 HydrophobicContact CG-CD1 4.49Å; E187-I205 WeakPolarHBondContact O-CG1 3.2Å; E187-I205 PolarHBondContact O-N 3Å; E187-I205 WeakPolarHBondContact OE2-CD1 3.37Å
188Y90.9Very high76.8Confident16 Ų1679.4 Ų79.46%0.06342%0.423CS..EExtended strand (participates in β ladder)trans-136.7141.9-175.8-59.7-92.8000111.6I160 R162 K186 C202 K203 E204 Y211I160-Y188 PolarHBondContact N-O 2.99Å; I160-Y188 PolarHBondContact O-N 3.45Å; R162-Y188 HydrophobicContact CB-CD2 4.3Å; R162-Y188 HydrophobicContact CB-CE2 3.9Å; R162-Y188 HydrophobicContact CG-CD2 4.17Å; R162-Y188 HydrophobicContact CG-CE2 4.17Å; K186-Y188 HydrophobicContact CB-CD2 4.38Å; K186-Y188 HydrophobicContact CB-CE2 3.43Å; K186-Y188 VanDerWaalsContact CB-CE2 3.43Å; K186-Y188 WeakPolarHBondContact CB-OH 3.36Å; K186-Y188 VanDerWaalsContact CD-OH 3.26Å; K186-Y188 WeakPolarHBondContact CD-OH 3.5Å; K186-Y188 WeakPolarHBondContact O-CD2 3.27Å; K186-Y188 WeakPolarHBondContact O-CE2 3.42Å; Y188-C202 HydrophobicContact CD1-CB 4.46Å; Y188-K203 CarbonylContact C-O 3.59Å; Y188-K203 WeakPolarHBondContact CA-O 3.35Å; Y188-E204 HydrophobicContact CD1-CB 3.85Å; Y188-E204 HydrophobicContact CE1-CB 3.69Å; Y188-E204 HydrophobicContact CE1-CG 4.13Å; Y188-Y211 HydrophobicContact CE1-CD2 4.42Å; Y188-Y211 HydrophobicContact CE1-CE2 4.34Å
189H92.4Very high79.2Confident27 Ų2774 Ų7413%0.12540%0.401CS..EExtended strand (participates in β ladder)trans-92.4132.5168.6-67.8-58.9000110.4D155 E156 Q158 C202 K203D155-H189 PolarHBondContact O-ND1 3.21Å; E156-H189 PolarHBondContact O-CE1 3.18Å; Q158-H189 PolarHBondContact O-ND1 2.81Å; H189-C202 CarbonylContact O-C 3.43Å; H189-C202 VanDerWaalsContact O-CA 3.26Å; H189-C202 WeakPolarHBondContact O-CA 3.4Å; H189-K203 PolarHBondContact N-O 3.03Å; H189-K203 PolarHBondContact O-N 3.25Å
190P93.8Very high81.9Confident14 Ų1466.7 Ų66.79%0.09137%0.367CS..EExtended strand (participates in β ladder)trans-65.5145175.123.8-27.5000111.4D155 Q158 I160D155-P190 HydrophobicContact CB-CG 4.23Å; D155-P190 PolarHBondContact N-O 3.46Å; Q158-P190 HydrophobicContact CB-CG 3.76Å; Q158-P190 VanDerWaalsContact O-CD 3.27Å; Q158-P190 WeakPolarHBondContact O-CD 3.41Å; I160-P190 HydrophobicContact CD1-CB 3.87Å; I160-P190 HydrophobicContact CD1-CG 4.19Å
191V94.6Very high84.5Confident0 Ų063.1 Ų63.10%034%0.344CS..EExtended strand (participates in β ladder)trans-117.4127177.8-1720000109.5C152 L153 L154 V200 G201 K203 I210C152-V191 HydrophobicContact CB-CG1 3.69Å; L153-V191 WeakPolarHBondContact O-CA 3.3Å; L154-V191 HydrophobicContact CD2-CB 4.17Å; L154-V191 HydrophobicContact CD2-CG1 4.08Å; L154-V191 HydrophobicContact CD2-CG2 3.31Å; V191-V200 HydrophobicContact CB-CG2 4.26Å; V191-V200 HydrophobicContact CG1-CG2 3.9Å; V191-V200 WeakPolarHBondContact O-CG2 3.43Å; V191-V200 PolarHBondContact O-N 2.81Å; V191-G201 PolarHBondContact N-O 2.85Å; V191-G201 PolarHBondContact O-N 3.18Å; V191-K203 HydrophobicContact CG2-CB 4.11Å; V191-I210 HydrophobicContact CB-CG2 4.37Å; V191-I210 HydrophobicContact CG1-CD1 4.48Å; V191-I210 HydrophobicContact CG1-CG2 4.32Å; V191-I210 HydrophobicContact CG2-CD1 4.43Å; V191-I210 HydrophobicContact CG2-CG1 4.3Å; V191-I210 HydrophobicContact CG2-CG2 3.82Å
192T95.5Very high86.9Confident43 Ų4356.3 Ų56.326%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-115.3156.3175.859.10000111.2C152 L153 K194 N198C152-T192 CarbonylContact C-O 3.44Å; C152-T192 WeakPolarHBondContact CA-O 3.47Å; L153-T192 PolarHBondContact N-O 3.47Å; L153-T192 PolarHBondContact O-N 2.96Å; T192-K194 PolarHBondContact O-N 3.45Å; T192-N198 CarbonylContact C-O 3.48Å; T192-N198 VanDerWaalsContact CA-O 3.27Å; T192-N198 WeakPolarHBondContact CA-O 3.23Å
193C96.6Very high89Confident0 Ų048.8 Ų48.80%028%0.28CS..EExtended strand (participates in β ladder)trans-69.4129171.7177.20000109.7C123 S128 L130 V195 C196 G197 N198 V200C123-C193 HydrophobicContact CB-CB 4.47Å; C123-C193 VanDerWaalsContact SG-SG 3.69Å; S128-C193 PolarHBondContact OG-SG 3.39Å; L130-C193 HydrophobicContact CD2-CB 4.4Å; C193-V195 PolarHBondContact O-N 3.04Å; C193-V195 PolarHBondContact SG-N 2.93Å; C193-V195 VanDerWaalsContact SG-N 3.41Å; C193-C196 VanDerWaalsContact SG-SG 3.66Å; C193-G197 WeakPolarHBondContact O-CA 3.19Å; C193-G197 PolarHBondContact O-N 2.86Å; C193-N198 PolarHBondContact N-O 3.31Å; C193-V200 HydrophobicContact CB-CG1 4.15Å
194K96Very high90.7Very high134 Ų13445.3 Ų45.358%0.58326%0.261SS*.THydrogen-bonded Turntrans-62-30.5177.2-174.4176.8176.4-176.60113.2N151 L153 T192N151-K194 HydrophobicContact CB-CB 4.44Å; N151-K194 VanDerWaalsContact O-CB 3.3Å; N151-K194 WeakPolarHBondContact O-CB 3.24Å; N151-K194 PolarHBondContact O-N 2.86Å; L153-K194 HydrophobicContact CD1-CB 4.23Å; L153-K194 HydrophobicContact CD1-CG 4.11Å; L153-K194 HydrophobicContact CD2-CB 4.4Å; L153-K194 HydrophobicContact CD2-CD 4.34Å; L153-K194 HydrophobicContact CD2-CG 4.08Å; L153-K194 HydrophobicContact CG-CB 3.83Å; L153-K194 HydrophobicContact CG-CG 3.94Å; T192-K194 PolarHBondContact O-N 3.45Å
195V96.1Very high91.8Very high94 Ų9445 Ų4557%0.5726%0.256SS*.THydrogen-bonded Turntrans-82.1-47.9-172.4-178.40000111.7N151 C193N151-V195 HydrophobicContact CB-CG2 4.38Å; C193-V195 PolarHBondContact O-N 3.04Å; C193-V195 PolarHBondContact SG-N 2.93Å; C193-V195 VanDerWaalsContact SG-N 3.41Å
196C96Very high92.5Very high59 Ų5949.4 Ų49.440%0.39927%0.271SS..THydrogen-bonded Turntrans-115.6-7.4-174.564.50000114.7C126 C193 N198C126-C196 HydrophobicContact CB-CB 3.93Å; C126-C196 PolarHBondContact SG-SG 3.43Å; C193-C196 VanDerWaalsContact SG-SG 3.66Å; C196-N198 PolarHBondContact O-N 3.28Å; C196-N198 VanDerWaalsContact SG-CB 3.59Å
197G94.2Very high92.8Very high47 Ų4748.5 Ų48.549%0.48527%0.271SS..  trans77.20.4-177.300000115.2C193C193-G197 WeakPolarHBondContact O-CA 3.19Å; C193-G197 PolarHBondContact O-N 2.86Å
198N94.8Very high92.8Very high62 Ų6250 Ų5033%0.33228%0.282SS..  trans-62.5140.1-179.2-164.663.6000111.5T192 C193 C196 V200T192-N198 CarbonylContact C-O 3.48Å; T192-N198 VanDerWaalsContact CA-O 3.27Å; T192-N198 WeakPolarHBondContact CA-O 3.23Å; C193-N198 PolarHBondContact N-O 3.31Å; C196-N198 PolarHBondContact O-N 3.28Å; C196-N198 VanDerWaalsContact SG-CB 3.59Å; N198-V200 PolarHBondContact O-N 2.88Å
199S94.4Very high92.9Very high73 Ų7350.1 Ų50.151%0.5128%0.284SS..EExtended strand (participates in β ladder)trans-69.9126174.3-173.10000110
200V94.6Very high93Very high3 Ų349 Ų492%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-118.8-20.9-175.3-66.40000112.6L130 V191 C193 N198 F212 N213L130-V200 HydrophobicContact CD1-CB 3.99Å; L130-V200 HydrophobicContact CD1-CG1 3.72Å; L130-V200 HydrophobicContact CD1-CG2 4.43Å; L130-V200 HydrophobicContact CD2-CG1 4.38Å; V191-V200 HydrophobicContact CB-CG2 4.26Å; V191-V200 HydrophobicContact CG1-CG2 3.9Å; V191-V200 WeakPolarHBondContact O-CG2 3.43Å; V191-V200 PolarHBondContact O-N 2.81Å; C193-V200 HydrophobicContact CB-CG1 4.15Å; N198-V200 PolarHBondContact O-N 2.88Å; V200-F212 HydrophobicContact CB-CD1 4.15Å; V200-F212 HydrophobicContact CB-CE1 4.35Å; V200-F212 HydrophobicContact CG2-CD1 4.17Å; V200-F212 HydrophobicContact CG2-CE1 3.94Å; V200-N213 PolarHBondContact O-N 2.93Å
201G93.6Very high93Very high12 Ų1251.2 Ų51.212%0.12429%0.286CS..EExtended strand (participates in β ladder)trans174.7-159.3-173.700000115.6V191 Y211V191-G201 PolarHBondContact N-O 2.85Å; V191-G201 PolarHBondContact O-N 3.18Å; G201-Y211 CarbonylContact C-O 3.51Å; G201-Y211 WeakPolarHBondContact CA-O 3.35Å
202C93.6Very high93Very high2 Ų251.2 Ų51.21%0.01429%0.286CS..EExtended strand (participates in β ladder)trans-146.3142.3178.961.70000111.8R162 Y188 H189 Y211R162-C202 PolarHBondContact NH1-SG 2.81Å; Y188-C202 HydrophobicContact CD1-CB 4.46Å; H189-C202 CarbonylContact O-C 3.43Å; H189-C202 VanDerWaalsContact O-CA 3.26Å; H189-C202 WeakPolarHBondContact O-CA 3.4Å; C202-Y211 PolarHBondContact N-O 2.71Å; C202-Y211 PolarHBondContact O-N 2.9Å
203K93.6Very high92.8Very high35 Ų3552.3 Ų52.315%0.15229%0.29CS..EExtended strand (participates in β ladder)trans-100.9131.9174.3-169.8-173.4175.9-160.90109.7L154 Y188 H189 V191 T207 N208 I210L154-K203 HydrophobicContact CD1-CD 3.58Å; L154-K203 HydrophobicContact CD2-CB 3.85Å; L154-K203 HydrophobicContact CD2-CD 3.97Å; L154-K203 HydrophobicContact CD2-CG 4.47Å; L154-K203 HydrophobicContact CG-CD 4.43Å; Y188-K203 CarbonylContact C-O 3.59Å; Y188-K203 WeakPolarHBondContact CA-O 3.35Å; H189-K203 PolarHBondContact N-O 3.03Å; H189-K203 PolarHBondContact O-N 3.25Å; V191-K203 HydrophobicContact CG2-CB 4.11Å; K203-T207 WeakPolarHBondContact CE-O 3.46Å; K203-N208 WeakPolarHBondContact CE-OD1 3.23Å; K203-N208 PolarHBondContact NZ-OD1 2.82Å; K203-I210 HydrophobicContact CB-CG1 3.95Å; K203-I210 HydrophobicContact CD-CG1 4.37Å; K203-I210 HydrophobicContact CG-CG1 3.91Å
204E90.3Very high92.4Very high9 Ų956.9 Ų56.94%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-75.4133.6173.7177.3165-16800110.3K186 Y188 Q206 T207 V209 Y211K186-E204 VanDerWaalsContact CD-OE1 3.29Å; K186-E204 WeakPolarHBondContact CD-OE1 3.44Å; K186-E204 VanDerWaalsContact CE-OE1 3.28Å; K186-E204 WeakPolarHBondContact CE-OE1 3.37Å; K186-E204 IonicContact NZ-OE1 2.71Å; K186-E204 PolarHBondContact NZ-OE1 3.5Å; K186-E204 IonicContact NZ-OE2 3.62Å; Y188-E204 HydrophobicContact CD1-CB 3.85Å; Y188-E204 HydrophobicContact CE1-CB 3.69Å; Y188-E204 HydrophobicContact CE1-CG 4.13Å; E204-Q206 VanDerWaalsContact C-N 3.26Å; E204-Q206 PolarHBondContact O-N 3.41Å; E204-T207 WeakPolarHBondContact CB-OG1 3.04Å; E204-T207 HydrophobicContact CG-CG2 4.47Å; E204-T207 PolarHBondContact O-N 3.11Å; E204-V209 PolarHBondContact N-O 2.67Å; E204-Y211 HydrophobicContact CB-CE2 4.02Å; E204-Y211 PolarHBondContact OE2-OH 2.79Å
205I86.8Confident92.3Very high72 Ų7251.5 Ų51.537%0.36929%0.293SS..THydrogen-bonded Turntrans-60.6-37-173.4-63.1-173.4000112.3I159 E187I159-I205 HydrophobicContact CD1-CD1 4.4Å; I159-I205 HydrophobicContact CG1-CD1 4.42Å; I159-I205 HydrophobicContact CG2-CD1 4.36Å; E187-I205 HydrophobicContact CB-CD1 3.41Å; E187-I205 VanDerWaalsContact CB-CD1 3.41Å; E187-I205 HydrophobicContact CB-CG1 4.03Å; E187-I205 HydrophobicContact CG-CD1 4.49Å; E187-I205 WeakPolarHBondContact O-CG1 3.2Å; E187-I205 PolarHBondContact O-N 3Å; E187-I205 WeakPolarHBondContact OE2-CD1 3.37Å
206Q85.5Confident92.2Very high177 Ų17750.7 Ų50.783%0.82729%0.285SS*.THydrogen-bonded Turntrans-79.3-17.7-175.5-65.1-175.5-10.200113.7E204E204-Q206 VanDerWaalsContact C-N 3.26Å; E204-Q206 PolarHBondContact O-N 3.41Å
207T88.8Confident92.1Very high47 Ų4749.7 Ų49.729%0.28828%0.281SS..SBendtrans-127.1147-173.370.20000110.3K203 E204 V209K203-T207 WeakPolarHBondContact CE-O 3.46Å; E204-T207 WeakPolarHBondContact CB-OG1 3.04Å; E204-T207 HydrophobicContact CG-CG2 4.47Å; E204-T207 PolarHBondContact O-N 3.11Å; T207-V209 PolarHBondContact O-N 3.05Å
208N87.2Confident92Very high124 Ų12450.1 Ų50.166%0.66328%0.276SS*.SBendtrans-77.618.3172.8-75-46.1000113.7K203K203-N208 WeakPolarHBondContact CE-OD1 3.23Å; K203-N208 PolarHBondContact NZ-OD1 2.82Å
209V92.6Very high91.7Very high18 Ų1852.4 Ų52.411%0.10929%0.285CS..PPolyproline II helixtrans-90.6129.5-179.2-177.30000110.1Y145 T146 E147 E204 T207 Y211Y145-V209 HydrophobicContact CD2-CG1 3.71Å; Y145-V209 HydrophobicContact CG-CG1 4.09Å; T146-V209 WeakPolarHBondContact O-CA 3.44Å; E147-V209 HydrophobicContact CG-CG2 3.91Å; E204-V209 PolarHBondContact N-O 2.67Å; T207-V209 PolarHBondContact O-N 3.05Å; V209-Y211 HydrophobicContact CG1-CE1 4.41Å; V209-Y211 HydrophobicContact CG1-CE2 4.25Å
210I94.1Very high90.5Very high4 Ų458.1 Ų58.12%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-101.3130.9171.5-65.9170.4000108.4Y145 T146 P149 L154 V191 K203 F212Y145-I210 CarbonylContact C-O 3.59Å; Y145-I210 WeakPolarHBondContact CA-O 3.27Å; Y145-I210 WeakPolarHBondContact CB-O 3.39Å; T146-I210 HydrophobicContact CG2-CB 4.36Å; T146-I210 PolarHBondContact N-O 2.82Å; T146-I210 PolarHBondContact O-N 2.7Å; P149-I210 HydrophobicContact CB-CD1 3.67Å; P149-I210 HydrophobicContact CG-CD1 3.58Å; L154-I210 HydrophobicContact CD2-CD1 4.08Å; L154-I210 HydrophobicContact CD2-CG1 4.46Å; V191-I210 HydrophobicContact CB-CG2 4.37Å; V191-I210 HydrophobicContact CG1-CD1 4.48Å; V191-I210 HydrophobicContact CG1-CG2 4.32Å; V191-I210 HydrophobicContact CG2-CD1 4.43Å; V191-I210 HydrophobicContact CG2-CG1 4.3Å; V191-I210 HydrophobicContact CG2-CG2 3.82Å; K203-I210 HydrophobicContact CB-CG1 3.95Å; K203-I210 HydrophobicContact CD-CG1 4.37Å; K203-I210 HydrophobicContact CG-CG1 3.91Å; I210-F212 HydrophobicContact CG2-CD1 4.29Å; I210-F212 HydrophobicContact CG2-CE1 3.86Å; I210-F212 HydrophobicContact CG2-CE2 4.17Å; I210-F212 HydrophobicContact CG2-CZ 3.8Å
211Y94.2Very high90.3Very high60 Ų6060.9 Ų60.924%0.23534%0.341CS..EExtended strand (participates in β ladder)trans-100.1128.1173.6-59.4-89.8000109.5Y188 G201 C202 E204 V209Y188-Y211 HydrophobicContact CE1-CD2 4.42Å; Y188-Y211 HydrophobicContact CE1-CE2 4.34Å; G201-Y211 CarbonylContact C-O 3.51Å; G201-Y211 WeakPolarHBondContact CA-O 3.35Å; C202-Y211 PolarHBondContact N-O 2.71Å; C202-Y211 PolarHBondContact O-N 2.9Å; E204-Y211 HydrophobicContact CB-CE2 4.02Å; E204-Y211 PolarHBondContact OE2-OH 2.79Å; V209-Y211 HydrophobicContact CG1-CE1 4.41Å; V209-Y211 HydrophobicContact CG1-CE2 4.25Å
212F95Very high90.1Very high0 Ų063.5 Ų63.50%035%0.352CS..EExtended strand (participates in β ladder)trans-105.5131175.8-62.9-71.8000110.4L121 L130 Q143 Y144 T146 V200 I210 V215L121-F212 HydrophobicContact CD1-CB 4.43Å; L121-F212 HydrophobicContact CD1-CD2 3.3Å; L121-F212 HydrophobicContact CD1-CE2 3.64Å; L121-F212 HydrophobicContact CD1-CG 4.05Å; L130-F212 HydrophobicContact CB-CE1 4.39Å; L130-F212 HydrophobicContact CB-CZ 4.32Å; L130-F212 HydrophobicContact CD1-CD1 4.48Å; L130-F212 HydrophobicContact CD1-CE1 4.25Å; Q143-F212 WeakPolarHBondContact CA-O 3.48Å; Y144-F212 PolarHBondContact N-O 2.94Å; Y144-F212 VanDerWaalsContact N-O 3.15Å; Y144-F212 PolarHBondContact O-N 3.13Å; T146-F212 HydrophobicContact CG2-CD2 4.39Å; T146-F212 HydrophobicContact CG2-CE2 3.36Å; T146-F212 HydrophobicContact CG2-CZ 3.93Å; V200-F212 HydrophobicContact CB-CD1 4.15Å; V200-F212 HydrophobicContact CB-CE1 4.35Å; V200-F212 HydrophobicContact CG2-CD1 4.17Å; V200-F212 HydrophobicContact CG2-CE1 3.94Å; I210-F212 HydrophobicContact CG2-CD1 4.29Å; I210-F212 HydrophobicContact CG2-CE1 3.86Å; I210-F212 HydrophobicContact CG2-CE2 4.17Å; I210-F212 HydrophobicContact CG2-CZ 3.8Å; F212-V215 HydrophobicContact CB-CB 4.46Å; F212-V215 HydrophobicContact CB-CG1 3.68Å; F212-V215 HydrophobicContact CB-CG2 3.91Å; F212-V215 HydrophobicContact CD1-CG1 3.82Å; F212-V215 HydrophobicContact CG-CG1 3.92Å
213N91.2Very high89.9Confident66 Ų6666.9 Ų66.935%0.35337%0.371SS..SBendtrans-114.9-25.5-179.5-68.640000112.3V200V200-N213 PolarHBondContact O-N 2.93Å
214D88.2Confident89.7Confident96 Ų9668.8 Ų68.851%0.51338%0.384SS..SBendtrans-132.886-176.6-172.317.7000109.7P124P124-D214 WeakPolarHBondContact CD-O 3.45Å
215V92.8Very high89.7Confident22 Ų2272.5 Ų72.513%0.13341%0.405CS..  trans-144150.4-175.3-700000111.3L121 L130 Y144 F212L121-V215 HydrophobicContact CD2-CG2 4.05Å; L130-V215 HydrophobicContact CD1-CG1 3.64Å; Y144-V215 HydrophobicContact CD2-CG2 4.08Å; F212-V215 HydrophobicContact CB-CB 4.46Å; F212-V215 HydrophobicContact CB-CG1 3.68Å; F212-V215 HydrophobicContact CB-CG2 3.91Å; F212-V215 HydrophobicContact CD1-CG1 3.82Å; F212-V215 HydrophobicContact CG-CG1 3.92Å
216L94.8Very high89.9Confident77 Ų7772.5 Ų72.540%0.40341%0.407SS..EExtended strand (participates in β ladder)trans-88.4112.8171.1-61.6176.4000108.5N122 P124 M127N122-L216 HydrophobicContact CB-CB 4.15Å; N122-L216 PolarHBondContact N-O 2.89Å; N122-L216 PolarHBondContact O-N 3.2Å; P124-L216 HydrophobicContact CB-CG 4.37Å; M127-L216 HydrophobicContact CG-CD1 4.43Å
217A94.4Very high90.2Very high38 Ų3865.1 Ų65.131%0.31438%0.377SS..EExtended strand (participates in β ladder)trans-93.5122.2178.900000110.4A119 L121 Y144A119-A217 HydrophobicContact CB-CB 4.02Å; L121-A217 HydrophobicContact CD2-CB 4.22Å; Y144-A217 HydrophobicContact CE2-CB 3.78Å
218S91.9Very high90.3Very high55 Ų5566.5 Ų66.539%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-102.7122172-52.90000108.9A119 I120 N122A119-S218 WeakPolarHBondContact CA-O 3.38Å; I120-S218 PolarHBondContact N-O 2.99Å; I120-S218 PolarHBondContact O-N 2.94Å; N122-S218 PolarHBondContact ND2-OG 3.24Å
219H87.8Confident90.6Very high110 Ų11061.7 Ų61.751%0.50936%0.361SS..  trans-106.9135.4177.1-60.7-82.1000108.9D118 Y144D118-H219 PolarHBondContact O-CE1 3.22Å; D118-H219 PolarHBondContact O-ND1 3.13Å; Y144-H219 PolarHBondContact OH-CE1 3.49Å; Y144-H219 PolarHBondContact OH-NE2 2.98Å
220S70.1Confident90.4Very high194 Ų19465.6 Ų65.6100%1.35738%0.384SS*.  trans-97.70173.663.80000111.5

Retrieved 220 of 220 residues in 170.3 ms (Link to these results)