A0A087Y115_POEFO Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y115, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 344 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
1R47.3Very low56.6Low297 Ų297117 Ų117100%1.12159%0.592SS**  0107.90-88.5-178.9177.5175.8-1.6106.3
2M40.5Very low56.9Low129 Ų129112.8 Ų112.864%0.63558%0.576SS**  trans-64.6131.6176.4-145161.490.400107.8E6 A7M2-E6 HydrophobicContact CG-CB 3.93Å; M2-A7 HydrophobicContact CE-CB 3.75Å
3T69.9Low56.9Low72 Ų72108.2 Ų108.244%0.44256%0.56SS.*  trans-74.1150.517962.20000109.7S5 E6 A7T3-S5 PolarHBondContact O-N 3.01Å; T3-S5 PolarHBondContact OG1-OG 3.36Å; T3-E6 PolarHBondContact N-OE2 3.07Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 VanDerWaalsContact OG1-CD 3.28Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-OE2 3.14Å; T3-A7 PolarHBondContact O-N 3.06Å
4L51.5Low57Low163 Ų163106.4 Ų106.485%0.85356%0.555SS**Hα-helixtrans-54.8-28.5-178.3-151.394.5000112.2L8L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 PolarHBondContact O-N 3.21Å; L4-L8 VanDerWaalsContact O-N 3.11Å
5S52.6Low56.6Low85 Ų85108.3 Ų108.359%0.59456%0.558SS**Hα-helixtrans-72.6-36.3177.185.10000113.5T3 L8 F9T3-S5 PolarHBondContact O-N 3.01Å; T3-S5 PolarHBondContact OG1-OG 3.36Å; S5-L8 PolarHBondContact O-N 2.75Å; S5-F9 WeakPolarHBondContact O-CB 3.34Å; S5-F9 PolarHBondContact O-N 2.03Å
6E50.5Low56.2Low97 Ų97109.3 Ų109.345%0.45356%0.563SS.*Hα-helixtrans-71.7-36.5177.6-70165.8148.700110.9M2 T3 C10M2-E6 HydrophobicContact CG-CB 3.93Å; T3-E6 PolarHBondContact N-OE2 3.07Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 VanDerWaalsContact OG1-CD 3.28Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-OE2 3.14Å; E6-C10 WeakPolarHBondContact O-CB 3.28Å; E6-C10 PolarHBondContact O-N 3.36Å; E6-C10 PolarHBondContact O-SG 3.04Å
7A62.1Low55.4Low33 Ų33115.1 Ų115.127%0.27358%0.577SS.*Hα-helixtrans-65.5-42.1173.200000111.9M2 T3 C10 L11M2-A7 HydrophobicContact CE-CB 3.75Å; T3-A7 PolarHBondContact O-N 3.06Å; A7-C10 PolarHBondContact O-N 2.94Å; A7-L11 WeakPolarHBondContact O-CB 3.47Å; A7-L11 WeakPolarHBondContact O-CD1 3.49Å; A7-L11 WeakPolarHBondContact O-CG 3.09Å; A7-L11 PolarHBondContact O-N 3.15Å
8L61.2Low54.8Low116 Ų116114.3 Ų114.361%0.60758%0.575SS**Hα-helixtrans-66.1-40.6177.8-15776.4000111.5L4 S5 L11 T12L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 PolarHBondContact O-N 3.21Å; L4-L8 VanDerWaalsContact O-N 3.11Å; S5-L8 PolarHBondContact O-N 2.75Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-T12 WeakPolarHBondContact O-CG2 3.13Å; L8-T12 PolarHBondContact O-N 3.4Å; L8-T12 PolarHBondContact O-OG1 2.8Å
9F66.3Low54.1Low137 Ų137118.1 Ų118.160%0.60159%0.587SS**Hα-helixtrans-64.8-44.5176.8-171.5-101.2000112.1S5 L11 T12 C13S5-F9 WeakPolarHBondContact O-CB 3.34Å; S5-F9 PolarHBondContact O-N 2.03Å; F9-L11 PolarHBondContact O-N 3.38Å; F9-T12 WeakPolarHBondContact CA-OG1 2.97Å; F9-T12 PolarHBondContact O-N 3.31Å; F9-T12 PolarHBondContact O-OG1 3.12Å; F9-C13 PolarHBondContact O-N 3.38Å; F9-C13 PolarHBondContact O-SG 3.05Å
10C59.5Low53.4Low66 Ų66116.2 Ų116.245%0.44659%0.59SS.*Hα-helixtrans-62.3-42.2175.6-68.90000111.8E6 A7 C13 V14E6-C10 WeakPolarHBondContact O-CB 3.28Å; E6-C10 PolarHBondContact O-N 3.36Å; E6-C10 PolarHBondContact O-SG 3.04Å; A7-C10 PolarHBondContact O-N 2.94Å; C10-C13 PolarHBondContact O-N 3.33Å; C10-V14 WeakPolarHBondContact O-CG2 3.32Å; C10-V14 PolarHBondContact O-N 3.19Å
11L61.1Low52.4Low92 Ų92118 Ų11848%0.48260%0.597SS.*Hα-helixtrans-60.4-46.4174.4-83.6158.9000111.2A7 L8 F9 C13 V14 F15A7-L11 WeakPolarHBondContact O-CB 3.47Å; A7-L11 WeakPolarHBondContact O-CD1 3.49Å; A7-L11 WeakPolarHBondContact O-CG 3.09Å; A7-L11 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.02Å; F9-L11 PolarHBondContact O-N 3.38Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 2.89Å; L11-V14 PolarHBondContact O-N 2.86Å; L11-F15 HydrophobicContact CB-CD2 4.4Å; L11-F15 HydrophobicContact CB-CE2 4.29Å; L11-F15 HydrophobicContact CD2-CE2 3.92Å; L11-F15 WeakPolarHBondContact O-CD2 3.42Å; L11-F15 PolarHBondContact O-N 2.9Å
12T61.1Low51.6Low66 Ų66111.6 Ų111.641%0.40558%0.581SS.*Hα-helixtrans-62.6-36.117755.50000112.7L8 F9 F15 L16L8-T12 WeakPolarHBondContact O-CG2 3.13Å; L8-T12 PolarHBondContact O-N 3.4Å; L8-T12 PolarHBondContact O-OG1 2.8Å; F9-T12 WeakPolarHBondContact CA-OG1 2.97Å; F9-T12 PolarHBondContact O-N 3.31Å; F9-T12 PolarHBondContact O-OG1 3.12Å; T12-F15 PolarHBondContact O-N 3.03Å; T12-L16 WeakPolarHBondContact O-CB 3.08Å; T12-L16 WeakPolarHBondContact O-CD1 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.39Å; T12-L16 PolarHBondContact O-N 3.01Å
13C55.8Low51.1Low54 Ų54112.4 Ų112.437%0.36559%0.588SS.*Hα-helixtrans-68.4-38.9175.8-66.80000112.2F9 C10 L11 L16 W17F9-C13 PolarHBondContact O-N 3.38Å; F9-C13 PolarHBondContact O-SG 3.05Å; C10-C13 PolarHBondContact O-N 3.33Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 2.89Å; C13-L16 PolarHBondContact O-N 3.32Å; C13-W17 WeakPolarHBondContact O-CB 3.26Å; C13-W17 PolarHBondContact O-N 3.26Å
14V59.1Low49.4Very low82 Ų82116.6 Ų116.650%0.49761%0.608SS.*Hα-helixtrans-68.8-39175.4173.10000111.3C10 L11 L16 W17 N18C10-V14 WeakPolarHBondContact O-CG2 3.32Å; C10-V14 PolarHBondContact O-N 3.19Å; L11-V14 PolarHBondContact O-N 2.86Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-W17 PolarHBondContact O-N 2.98Å; V14-N18 PolarHBondContact O-N 3.24Å
15F51.3Low48.2Very low136 Ų136115.8 Ų115.860%0.59660%0.604SS**Hα-helixtrans-67.5-32.4173.8-76.4-63.9000112.9L11 T12 K19L11-F15 HydrophobicContact CB-CD2 4.4Å; L11-F15 HydrophobicContact CB-CE2 4.29Å; L11-F15 HydrophobicContact CD2-CE2 3.92Å; L11-F15 WeakPolarHBondContact O-CD2 3.42Å; L11-F15 PolarHBondContact O-N 2.9Å; T12-F15 PolarHBondContact O-N 3.03Å; F15-K19 PolarHBondContact O-N 2.83Å
16L49.6Very low46.9Very low123 Ų123119.9 Ų119.964%0.64461%0.614SS**Hα-helixtrans-74.3-33.7172.8-71.8168.8000111.9T12 C13 V14 K19 A20T12-L16 WeakPolarHBondContact O-CB 3.08Å; T12-L16 WeakPolarHBondContact O-CD1 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.39Å; T12-L16 PolarHBondContact O-N 3.01Å; C13-L16 PolarHBondContact O-N 3.32Å; V14-L16 VanDerWaalsContact C-N 3.34Å; L16-K19 PolarHBondContact O-N 3.07Å; L16-A20 PolarHBondContact O-N 2.05Å
17W43.1Very low45.5Very low209 Ų209121.9 Ų121.979%0.79263%0.633SS**Hα-helixtrans-66.4-44.4174.1-163.1-74.7000111.9C13 V14 K19 A20C13-W17 WeakPolarHBondContact O-CB 3.26Å; C13-W17 PolarHBondContact O-N 3.26Å; V14-W17 PolarHBondContact O-N 2.98Å; W17-K19 PolarHBondContact O-N 2.74Å; W17-A20 WeakPolarHBondContact O-CB 3.38Å; W17-A20 PolarHBondContact O-N 2.83Å
18N45Very low43.8Very low100 Ų100129.4 Ų129.454%0.53566%0.66SS.*Hα-helixtrans-68.5-18.5176.3-76.2-15.7000113.5V14 A20V14-N18 PolarHBondContact O-N 3.24Å; N18-A20 VanDerWaalsContact C-N 3.33Å
19K41.3Very low42.4Very low187 Ų187129.8 Ų129.881%0.81367%0.667SS**THydrogen-bonded Turntrans-84.4-5.9171.3-78.9-161.2177.7-174.30113.8F15 L16 W17F15-K19 PolarHBondContact O-N 2.83Å; L16-K19 PolarHBondContact O-N 3.07Å; W17-K19 PolarHBondContact O-N 2.74Å
20A38.6Very low40.6Very low79 Ų79129.5 Ų129.565%0.65367%0.671SS**THydrogen-bonded Turntrans-94.72.6174.800000113.2L16 W17 N18 M22L16-A20 PolarHBondContact O-N 2.05Å; W17-A20 WeakPolarHBondContact O-CB 3.38Å; W17-A20 PolarHBondContact O-N 2.83Å; N18-A20 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 3.45Å
21E33.8Very low39.5Very low154 Ų154132.9 Ų132.972%0.7268%0.68SS**  trans-77.494.2171.1-156.7157.4-156.200108.8N23E21-N23 PolarHBondContact O-N 2.98Å; E21-N23 VanDerWaalsContact O-N 3.13Å
22M30Very low38.5Very low163 Ų163137 Ų13780%0.80370%0.695SS**  trans-61.9108.1173.6-168.5160.473.200107.8A20 D24A20-M22 PolarHBondContact O-N 3.45Å; M22-D24 PolarHBondContact O-N 2.89Å
23N29.9Very low38Very low146 Ų146140.2 Ų140.278%0.78170%0.703SS**  trans-52.4106.8163.7-74.1-28.1000107.9E21 L25E21-N23 PolarHBondContact O-N 2.98Å; E21-N23 VanDerWaalsContact O-N 3.13Å; N23-L25 PolarHBondContact O-N 3.05Å
24D35.3Very low38.4Very low161 Ų161137.8 Ų137.886%0.86169%0.686SS**  trans-70.181.8162-122-5.7000106.3M22 E26M22-D24 PolarHBondContact O-N 2.89Å; D24-E26 PolarHBondContact O-N 3.14Å
25L25Very low38.9Very low146 Ų146135 Ų13576%0.76467%0.668SS**  trans-85.1103.8173.7-168.672.6000107.3N23N23-L25 PolarHBondContact O-N 3.05Å
26E25.6Very low40.2Very low170 Ų170130.8 Ų130.879%0.79465%0.651SS**  trans11.5106.6160.1-65.1-172.8154.200115.7D24 F28D24-E26 PolarHBondContact O-N 3.14Å; E26-F28 PolarHBondContact O-N 3.5Å
27T22Very low41.5Very low140 Ų140128.4 Ų128.486%0.85964%0.638SS**  trans-70.681.3162.350.60000109.8
28F25.9Very low43.3Very low190 Ų190119.1 Ų119.183%0.83361%0.606SS**  trans-79.3115.3154.9-140.2-94.3000107.3E26 D30E26-F28 PolarHBondContact O-N 3.5Å; F28-D30 PolarHBondContact O-N 3.14Å
29V30.7Very low45.1Very low125 Ų125118.6 Ų118.676%0.75860%0.603SS**  trans-66.199.6-179.1176.50000109.1
30D29.1Very low47Very low131 Ų131112.7 Ų112.770%0.70158%0.583SS**  trans-101.7136.9169.6-164.115.6000111.6F28 K32F28-D30 PolarHBondContact O-N 3.14Å; D30-K32 PolarHBondContact O-N 3.46Å
31H36.8Very low49.2Very low137 Ų137110.9 Ų110.963%0.63457%0.572SS**  trans-72.596.4-162.6-79.471.4000113K33 K131H31-K33 PolarHBondContact O-N 2.67Å; H31-K33 VanDerWaalsContact O-N 3.12Å; H31-K131 PolarHBondContact O-NZ 2.78Å
32K38.9Very low51.8Low179 Ų179105 Ų10578%0.77855%0.552SS**  trans-69.432.7-174.3-113.8179.2-173.81740119D30D30-K32 PolarHBondContact O-N 3.46Å
33K51.6Low54.8Low133 Ų133101.3 Ų101.358%0.57854%0.543SS*.  trans-140.598.4-176.2-70.1-173.7-173.91770114.4H31 F35H31-K33 PolarHBondContact O-N 2.67Å; H31-K33 VanDerWaalsContact O-N 3.12Å; K33-F35 PolarHBondContact O-N 2.71Å; K33-F35 VanDerWaalsContact O-N 3.15Å
34G64.6Low57.9Low2 Ų294.8 Ų94.82%0.02151%0.508CS..SBendtrans-67.9-2.1167.500000116.4T134 D189 P190G34-T134 PolarHBondContact O-N 3.16Å; G34-D189 WeakPolarHBondContact CA-OD1 2.7Å; G34-D189 PolarHBondContact N-OD1 3.25Å; G34-P190 VanDerWaalsContact CA-CD 3.4Å
35F69.3Low60.7Low25 Ų2591 Ų9111%0.1149%0.491CS..EExtended strand (participates in β ladder)trans-144.7141.8172.678.7-59000110.6K33 L37 T134 K184 P190 Y232K33-F35 PolarHBondContact O-N 2.71Å; K33-F35 VanDerWaalsContact O-N 3.15Å; F35-L37 HydrophobicContact CD2-CG 4.26Å; F35-L37 HydrophobicContact CE2-CD1 3.95Å; F35-L37 HydrophobicContact CE2-CG 4.17Å; F35-T134 CarbonylContact C-O 3.59Å; F35-T134 WeakPolarHBondContact CA-O 3.43Å; F35-K184 HydrophobicContact CE1-CD 3.82Å; F35-K184 HydrophobicContact CE1-CG 4.4Å; F35-K184 HydrophobicContact CZ-CD 4.21Å; F35-P190 HydrophobicContact CD1-CB 3.76Å; F35-P190 HydrophobicContact CD1-CG 3.21Å; F35-P190 HydrophobicContact CE1-CB 4.22Å; F35-P190 HydrophobicContact CE1-CG 3.49Å; F35-P190 VanDerWaalsContact CE1-CG 3.49Å; F35-P190 HydrophobicContact CG-CB 4.25Å; F35-P190 HydrophobicContact CG-CG 4.16Å; F35-Y232 HydrophobicContact CZ-CE2 4.2Å
36I79Confident63.9Low46 Ų4684.2 Ų84.224%0.23646%0.455CS..EExtended strand (participates in β ladder)trans-123.8124.5177.4-60.1178.2000107.6V44 L46 V133 T134 V135 V136I36-V44 HydrophobicContact CB-CG2 4.4Å; I36-V44 HydrophobicContact CD1-CG2 3.81Å; I36-V44 HydrophobicContact CG2-CG2 3.84Å; I36-L46 HydrophobicContact CD1-CD2 3.51Å; I36-V133 HydrophobicContact CD1-CG1 3.97Å; I36-V133 HydrophobicContact CG1-CG1 3.93Å; I36-T134 PolarHBondContact N-O 3.42Å; I36-V135 WeakPolarHBondContact O-CA 3.33Å; I36-V136 PolarHBondContact O-N 2.87Å
37L76.1Confident67Low73 Ų7379.5 Ų79.538%0.38243%0.434SS..EExtended strand (participates in β ladder)trans-92.7128.9169.1-66.7161.4000107.5F35 V136 F243F35-L37 HydrophobicContact CD2-CG 4.26Å; F35-L37 HydrophobicContact CE2-CD1 3.95Å; F35-L37 HydrophobicContact CE2-CG 4.17Å; L37-V136 WeakPolarHBondContact CA-O 3.05Å; L37-V136 HydrophobicContact CD2-CB 3.76Å; L37-V136 HydrophobicContact CD2-CG1 3.75Å; L37-V136 HydrophobicContact CD2-CG2 4.47Å; L37-F243 HydrophobicContact CD2-CD2 4.47Å
38A81.6Confident70.2Confident14 Ų1473 Ų7312%0.11639%0.394CS..EExtended strand (participates in β ladder)trans-140.2154.817600000109.3L109 V136 V137 K138A38-L109 HydrophobicContact CB-CD1 3.42Å; A38-L109 VanDerWaalsContact CB-CD1 3.42Å; A38-V136 PolarHBondContact N-O 3.18Å; A38-V137 CarbonylContact O-C 3.58Å; A38-V137 VanDerWaalsContact O-CA 3.22Å; A38-V137 WeakPolarHBondContact O-CA 3.32Å; A38-K138 PolarHBondContact O-N 3.49Å
39D81Confident73Confident89 Ų8967.2 Ų67.248%0.47638%0.377SS..EExtended strand (participates in β ladder)trans-92.7154.3-179.7-54.2-52.5000111.1G42 K138D39-G42 WeakPolarHBondContact O-CA 3.29Å; D39-G42 PolarHBondContact O-N 2.66Å; D39-K138 CarbonylContact C-O 3.55Å; D39-K138 WeakPolarHBondContact CA-O 3.23Å
40V81.6Confident75.4Confident63 Ų6362.1 Ų62.138%0.38234%0.344SS..THydrogen-bonded Turntrans-53.2138.8172.2169.30000109.9G42 L109 V137 K138 D139V40-G42 PolarHBondContact O-N 3.35Å; V40-L109 CarbonylContact C-O 3.53Å; V40-L109 WeakPolarHBondContact CA-O 3.38Å; V40-V137 HydrophobicContact CB-CG1 4.36Å; V40-V137 HydrophobicContact CG2-CG1 3.66Å; V40-K138 WeakPolarHBondContact CG2-O 3.35Å; V40-K138 PolarHBondContact N-O 2.93Å; V40-D139 HydrophobicContact CG2-CB 3.8Å
41G84.9Confident77.5Confident42 Ų4261.9 Ų61.943%0.43334%0.343SS..THydrogen-bonded Turntrans78.2-13.5-174.900000114.2L109G41-L109 PolarHBondContact N-O 2.85Å
42G89.4Confident78.8Confident29 Ų2962 Ų6230%0.29934%0.344SS..  trans-71.1-168.5174.800000113.7D39 V40 N108 L109D39-G42 WeakPolarHBondContact O-CA 3.29Å; D39-G42 PolarHBondContact O-N 2.66Å; V40-G42 PolarHBondContact O-N 3.35Å; G42-N108 WeakPolarHBondContact O-CA 3.49Å; G42-N108 PolarHBondContact O-N 2.89Å; G42-L109 WeakPolarHBondContact O-CG 3.48Å; G42-L109 PolarHBondContact O-N 3.03Å
43S93.4Very high80.2Confident87 Ų8761.4 Ų61.461%0.60834%0.344SS*.  trans-139.3148.1177.262.60000112.1I106S43-I106 CarbonylContact C-O 3.49Å; S43-I106 WeakPolarHBondContact CA-O 3.49Å; S43-I106 WeakPolarHBondContact CB-O 3.47Å
44V93.4Very high80.9Confident8 Ų856.1 Ų56.15%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-129.3144.3173.968.40000110.6I36 L46 S105 I106 L109 V135I36-V44 HydrophobicContact CB-CG2 4.4Å; I36-V44 HydrophobicContact CD1-CG2 3.81Å; I36-V44 HydrophobicContact CG2-CG2 3.84Å; V44-L46 HydrophobicContact CG2-CD2 3.86Å; V44-L46 HydrophobicContact CG2-CG 4.48Å; V44-S105 WeakPolarHBondContact O-CA 3.43Å; V44-I106 HydrophobicContact CG1-CB 4Å; V44-I106 HydrophobicContact CG1-CD1 4.1Å; V44-I106 HydrophobicContact CG1-CG1 4.22Å; V44-I106 PolarHBondContact N-O 2.82Å; V44-I106 PolarHBondContact O-N 2.78Å; V44-L109 HydrophobicContact CB-CD1 4.26Å; V44-L109 HydrophobicContact CG1-CD1 4.29Å; V44-L109 HydrophobicContact CG1-CD2 4.03Å; V44-V135 HydrophobicContact CG1-CG1 4.26Å; V44-V135 HydrophobicContact CG1-CG2 4.38Å; V44-V135 HydrophobicContact CG2-CG2 4.4Å
45T94.4Very high81.3Confident81 Ų8158.3 Ų58.350%0.49734%0.34SS..EExtended strand (participates in β ladder)trans-123.2121.6172.2-57.40000109.3R103 L104T45-R103 HydrophobicContact CG2-CB 4.34Å; T45-L104 CarbonylContact C-O 3.55Å; T45-L104 WeakPolarHBondContact CA-O 3.48Å
46L92.1Very high82.2Confident4 Ų457.8 Ų57.82%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-105.1131.2178.3-53.4-179.2000108.6I36 V44 W59 R103 L104 Y117 V133 V135I36-L46 HydrophobicContact CD1-CD2 3.51Å; V44-L46 HydrophobicContact CG2-CD2 3.86Å; V44-L46 HydrophobicContact CG2-CG 4.48Å; L46-W59 HydrophobicContact CB-CH2 3.62Å; L46-W59 HydrophobicContact CB-CZ2 4.49Å; L46-W59 HydrophobicContact CB-CZ3 3.86Å; L46-W59 HydrophobicContact CD1-CZ3 4.18Å; L46-R103 CarbonylContact O-C 3.6Å; L46-R103 VanDerWaalsContact O-CA 3.23Å; L46-R103 WeakPolarHBondContact O-CA 2.97Å; L46-L104 HydrophobicContact CD1-CD2 4.47Å; L46-L104 PolarHBondContact N-O 3.3Å; L46-L104 PolarHBondContact O-N 2.86Å; L46-Y117 HydrophobicContact CD1-CD1 3.96Å; L46-Y117 HydrophobicContact CD1-CD2 4.05Å; L46-Y117 HydrophobicContact CD1-CG 3.52Å; L46-V133 HydrophobicContact CD2-CB 4.37Å; L46-V133 HydrophobicContact CD2-CG1 4.04Å; L46-V135 HydrophobicContact CD1-CG2 4.1Å; L46-V135 HydrophobicContact CD2-CG2 3.98Å
47Q90.5Very high82.7Confident72 Ų7255.6 Ų55.634%0.33633%0.327SS..EExtended strand (participates in β ladder)trans-119.1135.8178.6-176.6-178.1-66.700110.2S102 R103Q47-S102 WeakPolarHBondContact CA-O 3.1Å; Q47-R103 HydrophobicContact CB-CG 4.05Å; Q47-R103 HydrophobicContact CG-CG 3.86Å; Q47-R103 VanDerWaalsContact OE1-CZ 3.28Å
48C88.9Confident83.4Confident4 Ų453.2 Ų53.23%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-120.7142.3164.9-73.10000111.1F50 W59 K101 S102 C119C48-F50 HydrophobicContact CB-CD2 4.46Å; C48-F50 HydrophobicContact CB-CE1 4.33Å; C48-F50 HydrophobicContact CB-CE2 3.65Å; C48-F50 HydrophobicContact CB-CZ 3.58Å; C48-W59 HydrophobicContact CB-CH2 4.33Å; C48-W59 HydrophobicContact CB-CZ2 4.25Å; C48-W59 VanDerWaalsContact SG-CH2 3.59Å; C48-K101 WeakPolarHBondContact O-CA 3.47Å; C48-S102 PolarHBondContact N-O 3.35Å; C48-S102 PolarHBondContact O-N 2.77Å; C48-C119 HydrophobicContact CB-CB 3.63Å; C48-C119 WeakPolarHBondContact CB-SG 3.48Å; C48-C119 WeakPolarHBondContact SG-CB 3.48Å; C48-C119 CovalentContact SG-SG 2Å; C48-C119 PolarHBondContact SG-SG 2.83Å
49S86.2Confident84Confident67 Ų6752.7 Ų52.747%0.46931%0.309SS..EExtended strand (participates in β ladder)trans-109145.4173.2-55.30000108G100S49-G100 CarbonylContact C-O 3.49Å; S49-G100 WeakPolarHBondContact CA-O 3.47Å
50F81.1Confident84.6Confident18 Ų1849.8 Ų49.88%0.07929%0.292CS..  trans-139.5152.7-164.6-71.7-64.6000109.4C48 E54 Y57 G100 C119 V130C48-F50 HydrophobicContact CB-CD2 4.46Å; C48-F50 HydrophobicContact CB-CE1 4.33Å; C48-F50 HydrophobicContact CB-CE2 3.65Å; C48-F50 HydrophobicContact CB-CZ 3.58Å; F50-E54 WeakPolarHBondContact CB-OE2 3.4Å; F50-E54 WeakPolarHBondContact CD1-OE2 3.5Å; F50-E54 VanDerWaalsContact CG-OE2 3.3Å; F50-E54 WeakPolarHBondContact CG-OE2 3.45Å; F50-Y57 HydrophobicContact CB-CD1 4.34Å; F50-Y57 HydrophobicContact CB-CE1 3.67Å; F50-Y57 HydrophobicContact CD1-CD1 4.08Å; F50-Y57 HydrophobicContact CD1-CE1 4.24Å; F50-Y57 AromaticContact CD2-CD1 3.46Å; F50-Y57 HydrophobicContact CD2-CD1 3.46Å; F50-Y57 VanDerWaalsContact CD2-CD1 3.46Å; F50-Y57 AromaticContact CD2-CE1 3.51Å; F50-Y57 HydrophobicContact CD2-CE1 3.51Å; F50-Y57 HydrophobicContact CD2-CG 4.01Å; F50-Y57 HydrophobicContact CE1-CD1 4.23Å; F50-Y57 AromaticContact CE2-CD1 3.64Å; F50-Y57 HydrophobicContact CE2-CD1 3.64Å; F50-Y57 HydrophobicContact CE2-CE1 4.18Å; F50-Y57 AromaticContact CE2-CG 3.87Å; F50-Y57 HydrophobicContact CE2-CG 3.87Å; F50-Y57 AromaticContact CG-CD1 3.69Å; F50-Y57 HydrophobicContact CG-CD1 3.69Å; F50-Y57 AromaticContact CG-CE1 3.54Å; F50-Y57 HydrophobicContact CG-CE1 3.54Å; F50-Y57 HydrophobicContact CZ-CD1 4.02Å; F50-Y57 HydrophobicContact CZ-CG 4.39Å; F50-G100 PolarHBondContact N-O 2.8Å; F50-C119 HydrophobicContact CZ-CB 4.05Å; F50-V130 HydrophobicContact CD1-CB 4.45Å; F50-V130 HydrophobicContact CD1-CG2 3.77Å; F50-V130 HydrophobicContact CE1-CB 4.13Å; F50-V130 HydrophobicContact CE1-CG2 3.67Å
51D72.1Confident85.2Confident126 Ų12647.1 Ų47.167%0.67428%0.275SS*.  trans-65.8143.5170.6-76.4-28000110.1E53 E54D51-E53 PolarHBondContact O-N 3.48Å; D51-E53 VanDerWaalsContact O-N 3.08Å; D51-E54 WeakPolarHBondContact O-CG 3.48Å; D51-E54 PolarHBondContact O-N 3.23Å
52E65.5Low85.4Confident141 Ų14148.5 Ų48.566%0.65927%0.27SS*.THydrogen-bonded Turntrans-64.7-17.3-173-66.9-167.4178.600113.2E54 K76E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.13Å; E52-K76 PolarHBondContact O-NZ 3.47Å
53E67.4Low85Confident165 Ų16548.2 Ų48.277%0.77126%0.263SS*.THydrogen-bonded Turntrans-77.5-9.8-177.6-61.3-172.1173.700113.7D51 L123D51-E53 PolarHBondContact O-N 3.48Å; D51-E53 VanDerWaalsContact O-N 3.08Å; E53-L123 WeakPolarHBondContact O-CD1 3.4Å
54E66.9Low84.1Confident22 Ų2248.9 Ų48.910%0.10326%0.26CS..  trans-78.7136.2-172-61.5176.3161.400113.3F50 D51 E52 Y57 K76 S121F50-E54 WeakPolarHBondContact CB-OE2 3.4Å; F50-E54 WeakPolarHBondContact CD1-OE2 3.5Å; F50-E54 VanDerWaalsContact CG-OE2 3.3Å; F50-E54 WeakPolarHBondContact CG-OE2 3.45Å; D51-E54 WeakPolarHBondContact O-CG 3.48Å; D51-E54 PolarHBondContact O-N 3.23Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.13Å; E54-Y57 HydrophobicContact CB-CE1 4.08Å; E54-K76 VanDerWaalsContact O-CD 3.32Å; E54-K76 WeakPolarHBondContact O-CD 3.4Å; E54-S121 WeakPolarHBondContact OE1-CB 3.35Å; E54-S121 PolarHBondContact OE1-OG 2.75Å; E54-S121 WeakPolarHBondContact OE2-CB 3.25Å; E54-S121 PolarHBondContact OE2-OG 3.31Å; E54-S121 VanDerWaalsContact OE2-OG 3.12Å
55A72.9Confident82.8Confident49 Ų4952.5 Ų52.541%0.40530%0.299SS..  trans-89-27.2-172.600000113.7K76 G122A55-K76 PolarHBondContact O-N 2.88Å; A55-G122 PolarHBondContact N-O 2.9Å; A55-G122 VanDerWaalsContact N-O 3.14Å
56S87.3Confident82Confident13 Ų1353.3 Ų53.39%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-146144.6-171.353.50000112.1F58 S74 S121 G122S56-F58 VanDerWaalsContact OG-CE2 3.26Å; S56-F58 WeakPolarHBondContact OG-CE2 3.3Å; S56-S74 CarbonylContact C-O 3.46Å; S56-S74 WeakPolarHBondContact CA-O 3.28Å; S56-S121 CarbonylContact O-C 3.53Å; S56-S121 VanDerWaalsContact O-CA 3.31Å; S56-S121 WeakPolarHBondContact O-CA 3.39Å; S56-G122 PolarHBondContact N-O 2.87Å; S56-G122 PolarHBondContact O-N 3.22Å; S56-G122 WeakPolarHBondContact OG-CA 3.44Å; S56-G122 PolarHBondContact OG-O 2.82Å; S56-G122 VanDerWaalsContact OG-O 3.12Å
57Y89.7Confident81.6Confident0 Ų061.2 Ų61.20%033%0.331CS..EExtended strand (participates in β ladder)trans-119.7140.8178.3-49.3-49.7000110.3F50 E54 M73 S74 K76 T97 G100F50-Y57 HydrophobicContact CB-CD1 4.34Å; F50-Y57 HydrophobicContact CB-CE1 3.67Å; F50-Y57 HydrophobicContact CD1-CD1 4.08Å; F50-Y57 HydrophobicContact CD1-CE1 4.24Å; F50-Y57 AromaticContact CD2-CD1 3.46Å; F50-Y57 HydrophobicContact CD2-CD1 3.46Å; F50-Y57 VanDerWaalsContact CD2-CD1 3.46Å; F50-Y57 AromaticContact CD2-CE1 3.51Å; F50-Y57 HydrophobicContact CD2-CE1 3.51Å; F50-Y57 HydrophobicContact CD2-CG 4.01Å; F50-Y57 HydrophobicContact CE1-CD1 4.23Å; F50-Y57 AromaticContact CE2-CD1 3.64Å; F50-Y57 HydrophobicContact CE2-CD1 3.64Å; F50-Y57 HydrophobicContact CE2-CE1 4.18Å; F50-Y57 AromaticContact CE2-CG 3.87Å; F50-Y57 HydrophobicContact CE2-CG 3.87Å; F50-Y57 AromaticContact CG-CD1 3.69Å; F50-Y57 HydrophobicContact CG-CD1 3.69Å; F50-Y57 AromaticContact CG-CE1 3.54Å; F50-Y57 HydrophobicContact CG-CE1 3.54Å; F50-Y57 HydrophobicContact CZ-CD1 4.02Å; F50-Y57 HydrophobicContact CZ-CG 4.39Å; E54-Y57 HydrophobicContact CB-CE1 4.08Å; Y57-M73 CarbonylContact O-C 3.57Å; Y57-M73 WeakPolarHBondContact O-CA 3.4Å; Y57-S74 PolarHBondContact N-O 3.09Å; Y57-S74 PolarHBondContact O-N 3.03Å; Y57-K76 HydrophobicContact CE2-CB 4.4Å; Y57-T97 HydrophobicContact CD2-CG2 3.41Å; Y57-T97 VanDerWaalsContact CD2-CG2 3.41Å; Y57-T97 HydrophobicContact CE2-CG2 3.49Å; Y57-T97 VanDerWaalsContact CE2-CG2 3.49Å; Y57-G100 WeakPolarHBondContact OH-CA 3Å; Y57-G100 PolarHBondContact OH-N 3.39Å
58F91.6Very high81.5Confident23 Ų2360.3 Ų60.310%0.10133%0.332CS..EExtended strand (participates in β ladder)trans-128143.8-175.3-55.7-97.1000110S56 Y60 C72 M73 C119 A120 L127S56-F58 VanDerWaalsContact OG-CE2 3.26Å; S56-F58 WeakPolarHBondContact OG-CE2 3.3Å; F58-Y60 HydrophobicContact CB-CD2 4.25Å; F58-Y60 HydrophobicContact CB-CE2 3.55Å; F58-Y60 HydrophobicContact CG-CE2 4.34Å; F58-C72 WeakPolarHBondContact CA-O 3.44Å; F58-M73 HydrophobicContact CD1-CB 3.98Å; F58-M73 HydrophobicContact CD1-CG 3.86Å; F58-M73 HydrophobicContact CD1-SD 4.39Å; F58-M73 HydrophobicContact CE1-CB 4.04Å; F58-M73 HydrophobicContact CE1-CG 3.49Å; F58-M73 VanDerWaalsContact CE1-CG 3.49Å; F58-M73 HydrophobicContact CE1-SD 3.51Å; F58-M73 VanDerWaalsContact CE1-SD 3.51Å; F58-M73 HydrophobicContact CZ-CG 4.04Å; F58-M73 HydrophobicContact CZ-SD 3.98Å; F58-C119 WeakPolarHBondContact O-CA 3.42Å; F58-A120 HydrophobicContact CB-CB 4.29Å; F58-A120 PolarHBondContact N-O 2.95Å; F58-A120 PolarHBondContact O-N 2.85Å; F58-L127 HydrophobicContact CD2-CD1 4.33Å; F58-L127 HydrophobicContact CE2-CD1 4.46Å; F58-L127 HydrophobicContact CG-CD1 4.46Å
59W94.6Very high81.7Confident3 Ų363.5 Ų63.51%0.01135%0.346CS..EExtended strand (participates in β ladder)trans-120.6134.6168-74.794.8000109.8L46 C48 I71 C72 S102 L104 C119L46-W59 HydrophobicContact CB-CH2 3.62Å; L46-W59 HydrophobicContact CB-CZ2 4.49Å; L46-W59 HydrophobicContact CB-CZ3 3.86Å; L46-W59 HydrophobicContact CD1-CZ3 4.18Å; C48-W59 HydrophobicContact CB-CH2 4.33Å; C48-W59 HydrophobicContact CB-CZ2 4.25Å; C48-W59 VanDerWaalsContact SG-CH2 3.59Å; W59-I71 HydrophobicContact CB-CB 4.18Å; W59-I71 HydrophobicContact CB-CD1 4.26Å; W59-I71 WeakPolarHBondContact O-CB 3.44Å; W59-I71 PolarHBondContact O-N 2.81Å; W59-C72 PolarHBondContact N-O 2.99Å; W59-C72 PolarHBondContact O-N 2.93Å; W59-S102 PolarHBondContact NE1-OG 2.87Å; W59-L104 HydrophobicContact CB-CD2 4.22Å; W59-L104 HydrophobicContact CD2-CB 3.68Å; W59-L104 HydrophobicContact CD2-CD2 3.9Å; W59-L104 HydrophobicContact CD2-CG 4.39Å; W59-L104 HydrophobicContact CE3-CB 4.1Å; W59-L104 HydrophobicContact CE3-CD2 3.82Å; W59-L104 HydrophobicContact CG-CB 4.08Å; W59-L104 HydrophobicContact CG-CD2 4.09Å; W59-L104 HydrophobicContact CH2-CB 4.3Å; W59-L104 HydrophobicContact CZ2-CB 3.9Å; W59-L104 HydrophobicContact CZ3-CB 4.39Å; W59-L104 HydrophobicContact CZ3-CD2 4.48Å; W59-C119 HydrophobicContact CD2-CB 4.14Å; W59-C119 HydrophobicContact CE3-CB 3.92Å; W59-C119 HydrophobicContact CH2-CB 3.9Å; W59-C119 HydrophobicContact CZ2-CB 4.1Å; W59-C119 HydrophobicContact CZ3-CB 3.81Å
60Y93.8Very high82.1Confident28 Ų2863 Ų6311%0.1134%0.336CS..EExtended strand (participates in β ladder)trans-123.3148.4175.1-63.7-96.1000109.9F58 P68 Q69 Q70 Y117 L118 A120 F129F58-Y60 HydrophobicContact CB-CD2 4.25Å; F58-Y60 HydrophobicContact CB-CE2 3.55Å; F58-Y60 HydrophobicContact CG-CE2 4.34Å; Y60-P68 HydrophobicContact CD1-CB 4.35Å; Y60-Q69 CarbonylContact C-O 3.48Å; Y60-Q69 WeakPolarHBondContact CA-O 3.32Å; Y60-Q70 VanDerWaalsContact CD1-CA 3.48Å; Y60-Q70 HydrophobicContact CD1-CB 3.86Å; Y60-Q70 HydrophobicContact CD1-CG 4.35Å; Y60-Q70 HydrophobicContact CE1-CB 3.55Å; Y60-Q70 HydrophobicContact CE1-CG 3.86Å; Y60-Q70 PolarHBondContact OH-OE1 2.84Å; Y60-Q70 VanDerWaalsContact OH-OE1 3.11Å; Y60-Y117 CarbonylContact O-C 3.59Å; Y60-Y117 VanDerWaalsContact O-CA 3.28Å; Y60-Y117 WeakPolarHBondContact O-CA 3.43Å; Y60-L118 PolarHBondContact N-O 3.19Å; Y60-L118 PolarHBondContact O-N 2.82Å; Y60-A120 HydrophobicContact CE2-CB 4.29Å; Y60-F129 AromaticContact CD2-CE1 3.84Å; Y60-F129 HydrophobicContact CD2-CE1 3.84Å; Y60-F129 HydrophobicContact CD2-CZ 4.34Å; Y60-F129 HydrophobicContact CE2-CE1 4.18Å; Y60-F129 HydrophobicContact CE2-CZ 4.34Å; Y60-F129 HydrophobicContact CG-CE1 4.43Å
61K94.1Very high82.8Confident8 Ų862.1 Ų62.14%0.03533%0.332CS..EExtended strand (participates in β ladder)trans-113.3128.3166.9-174.9-172.7174.6-165.10108.9Q69 I71 F87 S112 Y117K61-Q69 PolarHBondContact N-O 2.76Å; K61-Q69 PolarHBondContact O-N 2.84Å; K61-I71 HydrophobicContact CB-CD1 3.89Å; K61-I71 HydrophobicContact CB-CG1 3.97Å; K61-F87 HydrophobicContact CB-CZ 3.97Å; K61-F87 HydrophobicContact CD-CE1 4.03Å; K61-F87 HydrophobicContact CD-CZ 3.82Å; K61-S112 PolarHBondContact NZ-O 2.86Å; K61-Y117 HydrophobicContact CB-CD1 4.39Å; K61-Y117 HydrophobicContact CB-CE1 4.15Å; K61-Y117 HydrophobicContact CD-CE1 4.28Å; K61-Y117 HydrophobicContact CG-CE1 4.04Å; K61-Y117 HydrophobicContact CG-CE2 4.33Å
62Q87.9Confident83.8Confident70 Ų7056.1 Ų56.133%0.32730%0.3SS..EExtended strand (participates in β ladder)trans-111.4102.9169.4-170176.416.700109Q66 P68 G115 T116Q62-Q66 WeakPolarHBondContact CG-O 3.43Å; Q62-Q66 PolarHBondContact NE2-O 3.47Å; Q62-P68 HydrophobicContact CB-CB 4.34Å; Q62-P68 HydrophobicContact CB-CG 4.16Å; Q62-P68 HydrophobicContact CG-CG 4.11Å; Q62-G115 WeakPolarHBondContact O-CA 3.49Å; Q62-T116 PolarHBondContact N-O 2.99Å; Q62-T116 PolarHBondContact O-N 2.97Å
63S81.4Confident85.1Confident23 Ų2350.6 Ų50.616%0.16128%0.275CS..  trans-68.5154.2167.6-550000109.8G65 Q66S63-G65 PolarHBondContact O-N 3.39Å; S63-Q66 WeakPolarHBondContact O-CB 3.31Å; S63-Q66 PolarHBondContact O-N 3.07Å
64L74.1Confident86.2Confident101 Ų10142.8 Ų42.853%0.52924%0.239SC..THydrogen-bonded Turntrans-57128.3-177-171.666.8000111.7Q66 Y180L64-Q66 PolarHBondContact O-N 2.93Å; L64-Y180 HydrophobicContact CD2-CD1 4.39Å; L64-Y180 HydrophobicContact CD2-CE1 3.74Å; L64-Y180 HydrophobicContact CD2-CE2 3.95Å; L64-Y180 VanDerWaalsContact CD2-CZ 3.48Å
65G66.4Low87.1Confident85 Ų8547.4 Ų47.488%0.87626%0.256SS*.THydrogen-bonded Turntrans71.71.8-178.500000115S63S63-G65 PolarHBondContact O-N 3.39Å
66Q77.3Confident87.4Confident98 Ų9847.8 Ų47.846%0.45825%0.248SC..SBendtrans-104.1160.2178-59.9-169.2-9.100111.4Q62 S63 L64Q62-Q66 WeakPolarHBondContact CG-O 3.43Å; Q62-Q66 PolarHBondContact NE2-O 3.47Å; S63-Q66 WeakPolarHBondContact O-CB 3.31Å; S63-Q66 PolarHBondContact O-N 3.07Å; L64-Q66 PolarHBondContact O-N 2.93Å
67K83.2Confident86.9Confident170 Ų17055 Ų5574%0.73929%0.285SS*.  trans-72.6149.3168.564-178.4179.9-179.90110.5Q69K67-Q69 PolarHBondContact O-N 3.02Å
68P88.6Confident86.3Confident53 Ų5359.3 Ų59.334%0.34431%0.308SS..  trans-56.1132.9174.5-23.833.1000112Y60 Q62 L118Y60-P68 HydrophobicContact CD1-CB 4.35Å; Q62-P68 HydrophobicContact CB-CB 4.34Å; Q62-P68 HydrophobicContact CB-CG 4.16Å; Q62-P68 HydrophobicContact CG-CG 4.11Å; P68-L118 HydrophobicContact CB-CD1 4.29Å; P68-L118 HydrophobicContact CG-CD1 4.03Å
69Q93.4Very high85.4Confident70 Ų7068.1 Ų68.133%0.32735%0.346SS..EExtended strand (participates in β ladder)trans-110.7134.4175-59.5-169.39.600109.8Y60 K61 K67 I71 F87Y60-Q69 CarbonylContact C-O 3.48Å; Y60-Q69 WeakPolarHBondContact CA-O 3.32Å; K61-Q69 PolarHBondContact N-O 2.76Å; K61-Q69 PolarHBondContact O-N 2.84Å; K67-Q69 PolarHBondContact O-N 3.02Å; Q69-I71 PolarHBondContact O-N 3.09Å; Q69-F87 HydrophobicContact CB-CE2 4.37Å
70Q94.1Very high84.7Confident56 Ų5669.5 Ų69.526%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-71.1123.1179.9-168.4168.6-43.100110.4Y60 Y84Y60-Q70 VanDerWaalsContact CD1-CA 3.48Å; Y60-Q70 HydrophobicContact CD1-CB 3.86Å; Y60-Q70 HydrophobicContact CD1-CG 4.35Å; Y60-Q70 HydrophobicContact CE1-CB 3.55Å; Y60-Q70 HydrophobicContact CE1-CG 3.86Å; Y60-Q70 PolarHBondContact OH-OE1 2.84Å; Y60-Q70 VanDerWaalsContact OH-OE1 3.11Å; Q70-Y84 HydrophobicContact CG-CD2 4.18Å
71I95.9Very high84.5Confident0 Ų069.7 Ų69.70%037%0.367CS..EExtended strand (participates in β ladder)trans-79.5-57.7173.2-56.4175.1000108.6W59 K61 Q69 F83 Y84 F87 F93 L104 Y117W59-I71 HydrophobicContact CB-CB 4.18Å; W59-I71 HydrophobicContact CB-CD1 4.26Å; W59-I71 WeakPolarHBondContact O-CB 3.44Å; W59-I71 PolarHBondContact O-N 2.81Å; K61-I71 HydrophobicContact CB-CD1 3.89Å; K61-I71 HydrophobicContact CB-CG1 3.97Å; Q69-I71 PolarHBondContact O-N 3.09Å; I71-F83 HydrophobicContact CG2-CD1 4.05Å; I71-F83 HydrophobicContact CG2-CE1 4.06Å; I71-F83 WeakPolarHBondContact O-CA 3.27Å; I71-Y84 PolarHBondContact O-N 2.83Å; I71-F87 HydrophobicContact CB-CD2 4.21Å; I71-F87 HydrophobicContact CB-CG 4.23Å; I71-F87 HydrophobicContact CG1-CD1 4.31Å; I71-F87 HydrophobicContact CG1-CD2 4.13Å; I71-F87 HydrophobicContact CG1-CE1 4.2Å; I71-F87 HydrophobicContact CG1-CE2 3.99Å; I71-F87 HydrophobicContact CG1-CG 4.29Å; I71-F87 HydrophobicContact CG1-CZ 4.05Å; I71-F87 HydrophobicContact CG2-CB 4.01Å; I71-F87 HydrophobicContact CG2-CD1 4.09Å; I71-F87 HydrophobicContact CG2-CD2 4.37Å; I71-F87 HydrophobicContact CG2-CG 3.88Å; I71-F93 HydrophobicContact CG2-CD1 4.38Å; I71-L104 HydrophobicContact CD1-CD2 3.72Å; I71-L104 HydrophobicContact CG2-CD1 4.43Å; I71-Y117 HydrophobicContact CD1-CD1 3.57Å; I71-Y117 HydrophobicContact CD1-CE1 3.61Å
72C94.4Very high84.4Confident0 Ų072.7 Ų72.70%039%0.386CS..EExtended strand (participates in β ladder)trans-158.2165.4-174.864.30000113.2F58 W59 T82 F83 V95F58-C72 WeakPolarHBondContact CA-O 3.44Å; W59-C72 PolarHBondContact N-O 2.99Å; W59-C72 PolarHBondContact O-N 2.93Å; C72-T82 CarbonylContact C-O 3.53Å; C72-T82 WeakPolarHBondContact CA-O 3.47Å; C72-T82 VanDerWaalsContact CB-O 3.24Å; C72-T82 WeakPolarHBondContact CB-O 3.34Å; C72-F83 HydrophobicContact CB-CD1 3.72Å; C72-F83 HydrophobicContact CB-CD2 4.45Å; C72-F83 HydrophobicContact CB-CE1 3.85Å; C72-F83 HydrophobicContact CB-CG 4.04Å; C72-F83 HydrophobicContact CB-CZ 4.29Å; C72-V95 WeakPolarHBondContact SG-CG2 3.18Å
73M92Very high84.8Confident26 Ų2671.5 Ų71.513%0.12838%0.38CS..EExtended strand (participates in β ladder)trans-129.9139.2170.3178.7-175.671.700109.2Y57 F58 Y75 S81 T82 Y84Y57-M73 CarbonylContact O-C 3.57Å; Y57-M73 WeakPolarHBondContact O-CA 3.4Å; F58-M73 HydrophobicContact CD1-CB 3.98Å; F58-M73 HydrophobicContact CD1-CG 3.86Å; F58-M73 HydrophobicContact CD1-SD 4.39Å; F58-M73 HydrophobicContact CE1-CB 4.04Å; F58-M73 HydrophobicContact CE1-CG 3.49Å; F58-M73 VanDerWaalsContact CE1-CG 3.49Å; F58-M73 HydrophobicContact CE1-SD 3.51Å; F58-M73 VanDerWaalsContact CE1-SD 3.51Å; F58-M73 HydrophobicContact CZ-CG 4.04Å; F58-M73 HydrophobicContact CZ-SD 3.98Å; M73-Y75 HydrophobicContact CE-CE2 3.91Å; M73-Y75 WeakPolarHBondContact CE-OH 3.41Å; M73-S81 WeakPolarHBondContact O-CA 3.38Å; M73-T82 PolarHBondContact N-O 3.12Å; M73-T82 PolarHBondContact O-N 2.85Å; M73-Y84 HydrophobicContact CB-CE2 3.95Å; M73-Y84 WeakPolarHBondContact CE-OH 3.07Å
74S90.4Very high85.3Confident1 Ų174.5 Ų74.51%0.00739%0.389CS..EExtended strand (participates in β ladder)trans-133.5145172.962.40000110.1S56 Y57 S81 T97S56-S74 CarbonylContact C-O 3.46Å; S56-S74 WeakPolarHBondContact CA-O 3.28Å; Y57-S74 PolarHBondContact N-O 3.09Å; Y57-S74 PolarHBondContact O-N 3.03Å; S74-S81 WeakPolarHBondContact CB-OG 3.46Å; S74-T97 WeakPolarHBondContact CB-OG1 3.44Å; S74-T97 PolarHBondContact OG-OG1 2.92Å
75Y85.9Confident86.2Confident119 Ų11972.9 Ų72.947%0.46740%0.396SS..EExtended strand (participates in β ladder)trans-90.6147.9172.7-64.3-76.8000110.4M73 L77 D78M73-Y75 HydrophobicContact CE-CE2 3.91Å; M73-Y75 WeakPolarHBondContact CE-OH 3.41Å; Y75-L77 PolarHBondContact O-N 3.16Å; Y75-D78 PolarHBondContact O-N 2.86Å; Y75-D78 VanDerWaalsContact O-O 3.11Å
76K79.1Confident87.3Confident56 Ų5673.9 Ų73.924%0.24338%0.378CS..THydrogen-bonded Turntrans-54.6-37.9179.2179.6-175.6176.2-171.40113.1E52 E54 A55 Y57E52-K76 PolarHBondContact O-NZ 3.47Å; E54-K76 VanDerWaalsContact O-CD 3.32Å; E54-K76 WeakPolarHBondContact O-CD 3.4Å; A55-K76 PolarHBondContact O-N 2.88Å; Y57-K76 HydrophobicContact CE2-CB 4.4Å
77L76.8Confident88Confident165 Ų16569.4 Ų69.486%0.86436%0.357SS*.THydrogen-bonded Turntrans-96.5-8.5-174.7-62.9174.4000113.8Y75Y75-L77 PolarHBondContact O-N 3.16Å
78D77.4Confident88.4Confident90 Ų9067.4 Ų67.448%0.48135%0.348SS..  trans-101141179-168.6-1.5000109.9Y75 G80Y75-D78 PolarHBondContact O-N 2.86Å; Y75-D78 VanDerWaalsContact O-O 3.11Å; D78-G80 VanDerWaalsContact C-N 3.31Å; D78-G80 PolarHBondContact OD1-N 2.68Å
79K72Confident88.4Confident208 Ų20871.8 Ų71.890%0.90437%0.369SS*.SBendtrans-81.2-16.4172.9-66.9-175.7178.7179.50111.9
80G81.2Confident88.3Confident33 Ų3373.4 Ų73.434%0.3438%0.375SS..  trans-76.6149.8177.500000113.8D78D78-G80 VanDerWaalsContact C-N 3.31Å; D78-G80 PolarHBondContact OD1-N 2.68Å
81S88.6Confident88.1Confident31 Ų3176.9 Ų76.922%0.21740%0.402CS..EExtended strand (participates in β ladder)trans-126.6133.4167.9-62.90000109.3M73 S74M73-S81 WeakPolarHBondContact O-CA 3.38Å; S74-S81 WeakPolarHBondContact CB-OG 3.46Å
82T92.8Very high88.1Confident72 Ų7278.9 Ų78.944%0.44241%0.41SS..EExtended strand (participates in β ladder)trans-96.2120.9176.9-57.60000109.2C72 M73 Y84C72-T82 CarbonylContact C-O 3.53Å; C72-T82 WeakPolarHBondContact CA-O 3.47Å; C72-T82 VanDerWaalsContact CB-O 3.24Å; C72-T82 WeakPolarHBondContact CB-O 3.34Å; M73-T82 PolarHBondContact N-O 3.12Å; M73-T82 PolarHBondContact O-N 2.85Å; T82-Y84 HydrophobicContact CG2-CE1 4.15Å; T82-Y84 HydrophobicContact CG2-CE2 3.83Å; T82-Y84 WeakPolarHBondContact O-CD2 3.24Å; T82-Y84 VanDerWaalsContact O-CE2 3.22Å; T82-Y84 WeakPolarHBondContact O-CE2 3.22Å
83F95.1Very high88.1Confident44 Ų4479.3 Ų79.319%0.19341%0.412CS..EExtended strand (participates in β ladder)trans-95.4144.9177.2-71.5-94.9000111.7I71 C72 F87 F93 V95I71-F83 HydrophobicContact CG2-CD1 4.05Å; I71-F83 HydrophobicContact CG2-CE1 4.06Å; I71-F83 WeakPolarHBondContact O-CA 3.27Å; C72-F83 HydrophobicContact CB-CD1 3.72Å; C72-F83 HydrophobicContact CB-CD2 4.45Å; C72-F83 HydrophobicContact CB-CE1 3.85Å; C72-F83 HydrophobicContact CB-CG 4.04Å; C72-F83 HydrophobicContact CB-CZ 4.29Å; F83-F87 HydrophobicContact CD1-CB 4.25Å; F83-F93 HydrophobicContact CD1-CB 4.39Å; F83-F93 HydrophobicContact CE1-CB 3.7Å; F83-F93 HydrophobicContact CZ-CB 4.31Å; F83-V95 HydrophobicContact CZ-CG2 4.17Å
84Y93.9Very high88.1Confident86 Ų8680.6 Ų80.634%0.33742%0.423SS..  trans-123.4161.9-174.4-62.4-89.8000112.3Q70 I71 M73 T82 E86 F87 K88Q70-Y84 HydrophobicContact CG-CD2 4.18Å; I71-Y84 PolarHBondContact O-N 2.83Å; M73-Y84 HydrophobicContact CB-CE2 3.95Å; M73-Y84 WeakPolarHBondContact CE-OH 3.07Å; T82-Y84 HydrophobicContact CG2-CE1 4.15Å; T82-Y84 HydrophobicContact CG2-CE2 3.83Å; T82-Y84 WeakPolarHBondContact O-CD2 3.24Å; T82-Y84 VanDerWaalsContact O-CE2 3.22Å; T82-Y84 WeakPolarHBondContact O-CE2 3.22Å; Y84-E86 PolarHBondContact O-N 3.39Å; Y84-F87 WeakPolarHBondContact O-CB 3.42Å; Y84-F87 PolarHBondContact O-N 2.88Å; Y84-F87 VanDerWaalsContact O-N 3.13Å; Y84-K88 PolarHBondContact O-N 3.45Å
85G91.8Very high88.3Confident67 Ų6781.4 Ų81.469%0.69143%0.428SS*.G310 helixtrans55-135173.200000113.7F87 K88G85-F87 PolarHBondContact O-N 3.03Å; G85-K88 WeakPolarHBondContact O-CB 3.19Å; G85-K88 PolarHBondContact O-N 3.26Å
86E89.9Confident88.5Confident107 Ų10782.6 Ų82.650%0.544%0.436SS..G310 helixtrans-66.9-15-179.864173.5-178.300114.3Y84 K90Y84-E86 PolarHBondContact O-N 3.39Å; E86-K90 WeakPolarHBondContact O-CE 3.21Å; E86-K90 VanDerWaalsContact O-CG 3.29Å; E86-K90 WeakPolarHBondContact O-CG 3.48Å
87F92.5Very high88.9Confident3 Ų381.5 Ų81.51%0.01343%0.434CS..G310 helixtrans-87.4-12.3-178.9-50.5-78.1000112.5K61 Q69 I71 F83 Y84 G85 K90 F93K61-F87 HydrophobicContact CB-CZ 3.97Å; K61-F87 HydrophobicContact CD-CE1 4.03Å; K61-F87 HydrophobicContact CD-CZ 3.82Å; Q69-F87 HydrophobicContact CB-CE2 4.37Å; I71-F87 HydrophobicContact CB-CD2 4.21Å; I71-F87 HydrophobicContact CB-CG 4.23Å; I71-F87 HydrophobicContact CG1-CD1 4.31Å; I71-F87 HydrophobicContact CG1-CD2 4.13Å; I71-F87 HydrophobicContact CG1-CE1 4.2Å; I71-F87 HydrophobicContact CG1-CE2 3.99Å; I71-F87 HydrophobicContact CG1-CG 4.29Å; I71-F87 HydrophobicContact CG1-CZ 4.05Å; I71-F87 HydrophobicContact CG2-CB 4.01Å; I71-F87 HydrophobicContact CG2-CD1 4.09Å; I71-F87 HydrophobicContact CG2-CD2 4.37Å; I71-F87 HydrophobicContact CG2-CG 3.88Å; F83-F87 HydrophobicContact CD1-CB 4.25Å; Y84-F87 WeakPolarHBondContact O-CB 3.42Å; Y84-F87 PolarHBondContact O-N 2.88Å; Y84-F87 VanDerWaalsContact O-N 3.13Å; G85-F87 PolarHBondContact O-N 3.03Å; F87-K90 WeakPolarHBondContact O-CB 3.2Å; F87-K90 PolarHBondContact O-N 3.35Å; F87-F93 HydrophobicContact CD1-CD1 4.44Å; F87-F93 HydrophobicContact CD1-CD2 4.19Å; F87-F93 AromaticContact CD1-CE1 3.96Å; F87-F93 HydrophobicContact CD1-CE1 3.96Å; F87-F93 AromaticContact CD1-CE2 3.64Å; F87-F93 HydrophobicContact CD1-CE2 3.64Å; F87-F93 AromaticContact CD1-CZ 3.54Å; F87-F93 HydrophobicContact CD1-CZ 3.54Å; F87-F93 HydrophobicContact CE1-CE1 4.2Å; F87-F93 HydrophobicContact CE1-CE2 4.25Å; F87-F93 AromaticContact CE1-CZ 3.76Å; F87-F93 HydrophobicContact CE1-CZ 3.76Å
88K91.4Very high89.3Confident128 Ų12878.2 Ų78.256%0.55741%0.414SS*.THydrogen-bonded Turntrans-64.8138.1177.2-169176.5-179.3179.70110.7Y84 G85 K90Y84-K88 PolarHBondContact O-N 3.45Å; G85-K88 WeakPolarHBondContact O-CB 3.19Å; G85-K88 PolarHBondContact O-N 3.26Å; K88-K90 PolarHBondContact O-N 2.8Å
89N88.6Confident89.5Confident146 Ų14678 Ų7878%0.78142%0.416SS*.THydrogen-bonded Turntrans57.624.5-179.7-55.1-27.2000114.2P91N89-P91 WeakPolarHBondContact O-CD 3.22Å
90K89.9Confident90Very high104 Ų10468.4 Ų68.445%0.45238%0.376SS..  trans-98.9101.9174.2-64.6-64.4-174.5178.40109.1E86 F87 K88 R92 F93E86-K90 WeakPolarHBondContact O-CE 3.21Å; E86-K90 VanDerWaalsContact O-CG 3.29Å; E86-K90 WeakPolarHBondContact O-CG 3.48Å; F87-K90 WeakPolarHBondContact O-CB 3.2Å; F87-K90 PolarHBondContact O-N 3.35Å; K88-K90 PolarHBondContact O-N 2.8Å; K90-R92 HydrophobicContact CB-CG 4.28Å; K90-R92 PolarHBondContact O-N 2.79Å; K90-F93 HydrophobicContact CB-CD2 3.78Å; K90-F93 HydrophobicContact CB-CE2 4.32Å; K90-F93 PolarHBondContact O-N 2.94Å; K90-F93 VanDerWaalsContact O-N 3.12Å
91P90.8Very high90.3Very high128 Ų12871 Ų7183%0.83138%0.378SS*.THydrogen-bonded Turntrans-64.2-17.6-175.227.4-35.7000113N89 F93N89-P91 WeakPolarHBondContact O-CD 3.22Å; P91-F93 VanDerWaalsContact C-N 3.26Å; P91-F93 PolarHBondContact O-N 3.21Å
92R95.2Very high90.3Very high43 Ų4369.5 Ų69.516%0.16237%0.368CS..THydrogen-bonded Turntrans-66.8-24.317874.5-168.3-173.987-8.1113.8K90 I106 S107 D113K90-R92 HydrophobicContact CB-CG 4.28Å; K90-R92 PolarHBondContact O-N 2.79Å; R92-I106 WeakPolarHBondContact O-CA 3.45Å; R92-S107 WeakPolarHBondContact CA-OG 3.42Å; R92-S107 WeakPolarHBondContact CB-O 3.49Å; R92-S107 PolarHBondContact O-N 2.95Å; R92-S107 PolarHBondContact O-OG 2.85Å; R92-S107 VanDerWaalsContact O-OG 3.09Å; R92-D113 IonicContact CZ-OD1 3.22Å; R92-D113 IonicContact CZ-OD2 3.58Å; R92-D113 IonicContact NH1-OD1 3.68Å; R92-D113 PolarHBondContact NH1-OD1 3.3Å; R92-D113 IonicContact NH1-OD2 3.93Å; R92-D113 PolarHBondContact NH1-OD2 2.79Å; R92-D113 IonicContact NH2-OD1 2.71Å; R92-D113 PolarHBondContact NH2-OD1 2.95Å; R92-D113 IonicContact NH2-OD2 3.86Å
93F94.4Very high90.3Very high9 Ų968.8 Ų68.84%0.03936%0.357CS..EExtended strand (participates in β ladder)trans-98.1132.9174.6-65.3-90.6000110.3I71 F83 F87 K90 P91 L104 S105 I106I71-F93 HydrophobicContact CG2-CD1 4.38Å; F83-F93 HydrophobicContact CD1-CB 4.39Å; F83-F93 HydrophobicContact CE1-CB 3.7Å; F83-F93 HydrophobicContact CZ-CB 4.31Å; F87-F93 HydrophobicContact CD1-CD1 4.44Å; F87-F93 HydrophobicContact CD1-CD2 4.19Å; F87-F93 AromaticContact CD1-CE1 3.96Å; F87-F93 HydrophobicContact CD1-CE1 3.96Å; F87-F93 AromaticContact CD1-CE2 3.64Å; F87-F93 HydrophobicContact CD1-CE2 3.64Å; F87-F93 AromaticContact CD1-CZ 3.54Å; F87-F93 HydrophobicContact CD1-CZ 3.54Å; F87-F93 HydrophobicContact CE1-CE1 4.2Å; F87-F93 HydrophobicContact CE1-CE2 4.25Å; F87-F93 AromaticContact CE1-CZ 3.76Å; F87-F93 HydrophobicContact CE1-CZ 3.76Å; K90-F93 HydrophobicContact CB-CD2 3.78Å; K90-F93 HydrophobicContact CB-CE2 4.32Å; K90-F93 PolarHBondContact O-N 2.94Å; K90-F93 VanDerWaalsContact O-N 3.12Å; P91-F93 VanDerWaalsContact C-N 3.26Å; P91-F93 PolarHBondContact O-N 3.21Å; F93-L104 HydrophobicContact CD1-CD1 4.37Å; F93-S105 WeakPolarHBondContact CA-O 3.47Å; F93-I106 HydrophobicContact CD1-CB 4.39Å; F93-I106 HydrophobicContact CD1-CD1 4.18Å; F93-I106 HydrophobicContact CD1-CG1 3.74Å; F93-I106 HydrophobicContact CD1-CG2 4.06Å; F93-I106 HydrophobicContact CE1-CB 4.38Å; F93-I106 HydrophobicContact CE1-CD1 3.74Å; F93-I106 HydrophobicContact CE1-CG1 3.77Å; F93-I106 HydrophobicContact CE1-CG2 3.77Å; F93-I106 HydrophobicContact CZ-CG2 4.16Å
94S93.5Very high90.2Very high53 Ų5366.7 Ų66.737%0.37135%0.348SS..EExtended strand (participates in β ladder)trans-141.9147.3172.958.30000110.5S105S94-S105 PolarHBondContact N-O 2.03Å; S94-S105 PolarHBondContact O-N 2.85Å
95V93.1Very high90.3Very high18 Ų1863.9 Ų63.911%0.10934%0.34CS..EExtended strand (participates in β ladder)trans-122.8135.4174.8172.10000109.6C72 F83 R103 L104C72-V95 WeakPolarHBondContact SG-CG2 3.18Å; F83-V95 HydrophobicContact CZ-CG2 4.17Å; V95-R103 CarbonylContact C-O 3.49Å; V95-R103 VanDerWaalsContact CA-O 3.3Å; V95-R103 WeakPolarHBondContact CA-O 3.46Å; V95-L104 HydrophobicContact CG2-CB 4.28Å; V95-L104 HydrophobicContact CG2-CD1 3.53Å
96K90.7Very high90.5Very high144 Ų14460.7 Ų60.763%0.62631%0.308SS*.EExtended strand (participates in β ladder)trans-116.2126.3168.6-68.2-175.9179.2-1800108.5R103K96-R103 PolarHBondContact N-O 2.97Å; K96-R103 PolarHBondContact O-N 2.93Å
97T87.7Confident90.8Very high33 Ų3358.2 Ų58.220%0.20230%0.302CS..EExtended strand (participates in β ladder)trans-115.3134.1-178.9-63.60000109.6Y57 S74Y57-T97 HydrophobicContact CD2-CG2 3.41Å; Y57-T97 VanDerWaalsContact CD2-CG2 3.41Å; Y57-T97 HydrophobicContact CE2-CG2 3.49Å; Y57-T97 VanDerWaalsContact CE2-CG2 3.49Å; S74-T97 WeakPolarHBondContact CB-OG1 3.44Å; S74-T97 PolarHBondContact OG-OG1 2.92Å
98E85Confident90.8Very high95 Ų9562.4 Ų62.444%0.44433%0.325SS..EExtended strand (participates in β ladder)trans-127.5165173.2-73.3164.6-162.100107.7G100 K101 R103E98-G100 PolarHBondContact O-N 2.98Å; E98-G100 VanDerWaalsContact O-N 3.1Å; E98-K101 CarbonylContact C-O 3.6Å; E98-K101 HydrophobicContact CB-CB 4.26Å; E98-K101 PolarHBondContact N-O 2.99Å; E98-K101 PolarHBondContact O-N 3.29Å; E98-R103 IonicContact OE1-NH1 3.8Å; E98-R103 PolarHBondContact OE1-NH1 3Å; E98-R103 IonicContact OE2-CZ 2.68Å; E98-R103 IonicContact OE2-NH1 2.85Å; E98-R103 PolarHBondContact OE2-NH1 2.86Å; E98-R103 IonicContact OE2-NH2 3.74Å
99V82.3Confident90.7Very high86 Ų8656.3 Ų56.352%0.52130%0.298SS..THydrogen-bonded Turntrans-57.5120.5174.8170.70000109.4K101V99-K101 PolarHBondContact O-N 3.35Å
100G81.2Confident90.5Very high7 Ų753.1 Ų53.17%0.07228%0.278CS..THydrogen-bonded Turntrans71.98-179.900000114.6S49 F50 Y57 E98S49-G100 CarbonylContact C-O 3.49Å; S49-G100 WeakPolarHBondContact CA-O 3.47Å; F50-G100 PolarHBondContact N-O 2.8Å; Y57-G100 WeakPolarHBondContact OH-CA 3Å; Y57-G100 PolarHBondContact OH-N 3.39Å; E98-G100 PolarHBondContact O-N 2.98Å; E98-G100 VanDerWaalsContact O-N 3.1Å
101K87.3Confident90Very high86 Ų8650.9 Ų50.937%0.37428%0.276SS..EExtended strand (participates in β ladder)trans-144.6137.5-177.5-65.2178.5-174.8166.60112.6C48 E98 V99C48-K101 WeakPolarHBondContact O-CA 3.47Å; E98-K101 CarbonylContact C-O 3.6Å; E98-K101 HydrophobicContact CB-CB 4.26Å; E98-K101 PolarHBondContact N-O 2.99Å; E98-K101 PolarHBondContact O-N 3.29Å; V99-K101 PolarHBondContact O-N 3.35Å
102S89.4Confident89.7Confident0 Ų048.1 Ų48.10%026%0.26CS..EExtended strand (participates in β ladder)trans-127.8137.5168.8-169.70000110.6Q47 C48 W59Q47-S102 WeakPolarHBondContact CA-O 3.1Å; C48-S102 PolarHBondContact N-O 3.35Å; C48-S102 PolarHBondContact O-N 2.77Å; W59-S102 PolarHBondContact NE1-OG 2.87Å
103R91.9Very high89.4Confident57 Ų5746.1 Ų46.122%0.21525%0.252CS..EExtended strand (participates in β ladder)trans-122.7113.4177.7-67-175.6-173.496.24.4110.7T45 L46 Q47 V95 K96 E98T45-R103 HydrophobicContact CG2-CB 4.34Å; L46-R103 CarbonylContact O-C 3.6Å; L46-R103 VanDerWaalsContact O-CA 3.23Å; L46-R103 WeakPolarHBondContact O-CA 2.97Å; Q47-R103 HydrophobicContact CB-CG 4.05Å; Q47-R103 HydrophobicContact CG-CG 3.86Å; Q47-R103 VanDerWaalsContact OE1-CZ 3.28Å; V95-R103 CarbonylContact C-O 3.49Å; V95-R103 VanDerWaalsContact CA-O 3.3Å; V95-R103 WeakPolarHBondContact CA-O 3.46Å; K96-R103 PolarHBondContact N-O 2.97Å; K96-R103 PolarHBondContact O-N 2.93Å; E98-R103 IonicContact OE1-NH1 3.8Å; E98-R103 PolarHBondContact OE1-NH1 3Å; E98-R103 IonicContact OE2-CZ 2.68Å; E98-R103 IonicContact OE2-NH1 2.85Å; E98-R103 PolarHBondContact OE2-NH1 2.86Å; E98-R103 IonicContact OE2-NH2 3.74Å
104L93.8Very high89Confident0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-91.6120.8170.3175.266.9000109.6T45 L46 W59 I71 F93 V95 I106 Y117T45-L104 CarbonylContact C-O 3.55Å; T45-L104 WeakPolarHBondContact CA-O 3.48Å; L46-L104 HydrophobicContact CD1-CD2 4.47Å; L46-L104 PolarHBondContact N-O 3.3Å; L46-L104 PolarHBondContact O-N 2.86Å; W59-L104 HydrophobicContact CB-CD2 4.22Å; W59-L104 HydrophobicContact CD2-CB 3.68Å; W59-L104 HydrophobicContact CD2-CD2 3.9Å; W59-L104 HydrophobicContact CD2-CG 4.39Å; W59-L104 HydrophobicContact CE3-CB 4.1Å; W59-L104 HydrophobicContact CE3-CD2 3.82Å; W59-L104 HydrophobicContact CG-CB 4.08Å; W59-L104 HydrophobicContact CG-CD2 4.09Å; W59-L104 HydrophobicContact CH2-CB 4.3Å; W59-L104 HydrophobicContact CZ2-CB 3.9Å; W59-L104 HydrophobicContact CZ3-CB 4.39Å; W59-L104 HydrophobicContact CZ3-CD2 4.48Å; I71-L104 HydrophobicContact CD1-CD2 3.72Å; I71-L104 HydrophobicContact CG2-CD1 4.43Å; F93-L104 HydrophobicContact CD1-CD1 4.37Å; V95-L104 HydrophobicContact CG2-CB 4.28Å; V95-L104 HydrophobicContact CG2-CD1 3.53Å; L104-I106 HydrophobicContact CD2-CD1 4.42Å; L104-I106 HydrophobicContact CG-CG1 4.27Å; L104-Y117 HydrophobicContact CD2-CD1 3.78Å; L104-Y117 HydrophobicContact CD2-CE1 4.2Å
105S95.2Very high88.6Confident27 Ų2744.9 Ų44.919%0.18925%0.245CC..EExtended strand (participates in β ladder)trans-111.3131.1174.8-47.30000110.1V44 F93 S94V44-S105 WeakPolarHBondContact O-CA 3.43Å; F93-S105 WeakPolarHBondContact CA-O 3.47Å; S94-S105 PolarHBondContact N-O 2.03Å; S94-S105 PolarHBondContact O-N 2.85Å
106I96.3Very high88.4Confident1 Ų145.8 Ų45.81%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-121.9115.9177.6-44.1173.3000107S43 V44 R92 F93 L104 L109 Y117S43-I106 CarbonylContact C-O 3.49Å; S43-I106 WeakPolarHBondContact CA-O 3.49Å; S43-I106 WeakPolarHBondContact CB-O 3.47Å; V44-I106 HydrophobicContact CG1-CB 4Å; V44-I106 HydrophobicContact CG1-CD1 4.1Å; V44-I106 HydrophobicContact CG1-CG1 4.22Å; V44-I106 PolarHBondContact N-O 2.82Å; V44-I106 PolarHBondContact O-N 2.78Å; R92-I106 WeakPolarHBondContact O-CA 3.45Å; F93-I106 HydrophobicContact CD1-CB 4.39Å; F93-I106 HydrophobicContact CD1-CD1 4.18Å; F93-I106 HydrophobicContact CD1-CG1 3.74Å; F93-I106 HydrophobicContact CD1-CG2 4.06Å; F93-I106 HydrophobicContact CE1-CB 4.38Å; F93-I106 HydrophobicContact CE1-CD1 3.74Å; F93-I106 HydrophobicContact CE1-CG1 3.77Å; F93-I106 HydrophobicContact CE1-CG2 3.77Å; F93-I106 HydrophobicContact CZ-CG2 4.16Å; L104-I106 HydrophobicContact CD2-CD1 4.42Å; L104-I106 HydrophobicContact CG-CG1 4.27Å; I106-L109 HydrophobicContact CB-CD2 4.06Å; I106-L109 HydrophobicContact CG2-CD2 3.74Å; I106-Y117 HydrophobicContact CD1-CD1 4.23Å; I106-Y117 HydrophobicContact CD1-CE1 3.42Å; I106-Y117 VanDerWaalsContact CD1-CE1 3.42Å; I106-Y117 HydrophobicContact CD1-CE2 4.38Å; I106-Y117 WeakPolarHBondContact CD1-OH 3.28Å
107S95.8Very high88.5Confident55 Ų5539 Ų3939%0.38522%0.221SC..  trans-102164.6176.755.80000110.8R92 L109R92-S107 WeakPolarHBondContact CA-OG 3.42Å; R92-S107 WeakPolarHBondContact CB-O 3.49Å; R92-S107 PolarHBondContact O-N 2.95Å; R92-S107 PolarHBondContact O-OG 2.85Å; R92-S107 VanDerWaalsContact O-OG 3.09Å; S107-L109 PolarHBondContact O-N 2.77Å
108N92.9Very high88.7Confident90 Ų9038.9 Ų38.948%0.48122%0.219SC..SBendtrans4660.7-179.3-171.646.8000111.7G42 H110G42-N108 WeakPolarHBondContact O-CA 3.49Å; G42-N108 PolarHBondContact O-N 2.89Å; N108-H110 PolarHBondContact ND2-NE2 3.38Å; N108-H110 PolarHBondContact O-CD2 2.9Å; N108-H110 PolarHBondContact O-N 2.85Å
109L88.9Confident89Confident0 Ų034.3 Ų34.30%020%0.197CC..  trans-59.6133.8-173.8-77169.5000111.9A38 V40 G41 G42 V44 I106 S107 D113 V137A38-L109 HydrophobicContact CB-CD1 3.42Å; A38-L109 VanDerWaalsContact CB-CD1 3.42Å; V40-L109 CarbonylContact C-O 3.53Å; V40-L109 WeakPolarHBondContact CA-O 3.38Å; G41-L109 PolarHBondContact N-O 2.85Å; G42-L109 WeakPolarHBondContact O-CG 3.48Å; G42-L109 PolarHBondContact O-N 3.03Å; V44-L109 HydrophobicContact CB-CD1 4.26Å; V44-L109 HydrophobicContact CG1-CD1 4.29Å; V44-L109 HydrophobicContact CG1-CD2 4.03Å; I106-L109 HydrophobicContact CB-CD2 4.06Å; I106-L109 HydrophobicContact CG2-CD2 3.74Å; S107-L109 PolarHBondContact O-N 2.77Å; L109-D113 HydrophobicContact CD2-CB 4.07Å; L109-V137 HydrophobicContact CB-CG1 3.89Å; L109-V137 HydrophobicContact CB-CG2 4.06Å; L109-V137 HydrophobicContact CD1-CG2 4.34Å; L109-V137 HydrophobicContact CD2-CG2 4.03Å; L109-V137 HydrophobicContact CG-CG2 4.39Å
110H86.5Confident89.3Confident79 Ų7930.2 Ų30.237%0.36617%0.173SC..  trans-107.3156.4173.1-64-177000109.9N108 S112 D113 V137N108-H110 PolarHBondContact ND2-NE2 3.38Å; N108-H110 PolarHBondContact O-CD2 2.9Å; N108-H110 PolarHBondContact O-N 2.85Å; H110-S112 PolarHBondContact O-N 2.83Å; H110-S112 VanDerWaalsContact O-N 3.14Å; H110-D113 PolarHBondContact N-OD2 2.79Å; H110-D113 VanDerWaalsContact O-CB 3.27Å; H110-D113 WeakPolarHBondContact O-CB 3.44Å; H110-D113 PolarHBondContact O-N 2.84Å; H110-V137 WeakPolarHBondContact O-CG2 3.3Å
111S78.6Confident89.6Confident58 Ų5830 Ų3041%0.40617%0.17SC..G310 helixtrans-53.5-36.5174.555.20000112.4D113 T114S111-D113 PolarHBondContact O-N 2.95Å; S111-D113 VanDerWaalsContact O-N 3.16Å; S111-T114 VanDerWaalsContact O-CB 3.32Å; S111-T114 WeakPolarHBondContact O-CB 3.21Å; S111-T114 PolarHBondContact O-N 2.75Å; S111-T114 VanDerWaalsContact O-N 3.09Å; S111-T114 PolarHBondContact O-OG1 3.06Å
112S84.3Confident89.3Confident70 Ų7026.1 Ų26.149%0.4916%0.155SC..G310 helixtrans-62.1-17.4175.463.10000114.4K61 H110 T114K61-S112 PolarHBondContact NZ-O 2.86Å; H110-S112 PolarHBondContact O-N 2.83Å; H110-S112 VanDerWaalsContact O-N 3.14Å; S112-T114 PolarHBondContact O-N 3.38Å
113D88.5Confident88.7Confident0 Ų030.3 Ų30.30%018%0.176CC..G310 helixtrans-78.2-6.5176.4-61.8-38.9000113.1R92 L109 H110 S111 G115 Y117 V137R92-D113 IonicContact CZ-OD1 3.22Å; R92-D113 IonicContact CZ-OD2 3.58Å; R92-D113 IonicContact NH1-OD1 3.68Å; R92-D113 PolarHBondContact NH1-OD1 3.3Å; R92-D113 IonicContact NH1-OD2 3.93Å; R92-D113 PolarHBondContact NH1-OD2 2.79Å; R92-D113 IonicContact NH2-OD1 2.71Å; R92-D113 PolarHBondContact NH2-OD1 2.95Å; R92-D113 IonicContact NH2-OD2 3.86Å; L109-D113 HydrophobicContact CD2-CB 4.07Å; H110-D113 PolarHBondContact N-OD2 2.79Å; H110-D113 VanDerWaalsContact O-CB 3.27Å; H110-D113 WeakPolarHBondContact O-CB 3.44Å; H110-D113 PolarHBondContact O-N 2.84Å; S111-D113 PolarHBondContact O-N 2.95Å; S111-D113 VanDerWaalsContact O-N 3.16Å; D113-G115 PolarHBondContact O-N 3.43Å; D113-Y117 WeakPolarHBondContact O-CE2 3.41Å; D113-Y117 PolarHBondContact O-OH 2.83Å; D113-V137 HydrophobicContact CB-CG2 4.09Å
114T85.5Confident87.7Confident29 Ų2932.7 Ų32.718%0.17820%0.202CC..  trans-59127.9170.5-610000110.6S111 S112 V135 V136 V137 I241S111-T114 VanDerWaalsContact O-CB 3.32Å; S111-T114 WeakPolarHBondContact O-CB 3.21Å; S111-T114 PolarHBondContact O-N 2.75Å; S111-T114 VanDerWaalsContact O-N 3.09Å; S111-T114 PolarHBondContact O-OG1 3.06Å; S112-T114 PolarHBondContact O-N 3.38Å; T114-V135 CarbonylContact C-O 3.56Å; T114-V135 VanDerWaalsContact CA-O 3.28Å; T114-V135 WeakPolarHBondContact CA-O 3.38Å; T114-V136 HydrophobicContact CG2-CG2 4.44Å; T114-V137 PolarHBondContact OG1-N 3.11Å; T114-I241 HydrophobicContact CG2-CD1 4.01Å
115G87Confident86.5Confident7 Ų742.5 Ų42.57%0.07225%0.245CC..EExtended strand (participates in β ladder)trans164172.9-178.400000113.1Q62 D113 Y117 T134 V135Q62-G115 WeakPolarHBondContact O-CA 3.49Å; D113-G115 PolarHBondContact O-N 3.43Å; G115-Y117 WeakPolarHBondContact O-CD2 3.34Å; G115-T134 CarbonylContact O-C 3.59Å; G115-T134 WeakPolarHBondContact O-CA 3.48Å; G115-V135 PolarHBondContact N-O 2.73Å; G115-V135 PolarHBondContact O-N 3.18Å
116T88.3Confident85.7Confident38 Ų3847.4 Ų47.423%0.23327%0.268CS..EExtended strand (participates in β ladder)trans-91.3119176.3-56.70000109.9Q62 L118 T134Q62-T116 PolarHBondContact N-O 2.99Å; Q62-T116 PolarHBondContact O-N 2.97Å; T116-L118 HydrophobicContact CG2-CD2 3.81Å; T116-L118 HydrophobicContact CG2-CG 4.38Å; T116-T134 PolarHBondContact OG1-OG1 2.83Å
117Y92.3Very high85Confident1 Ų150.9 Ų50.90%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-95.6118.4177.9-70.5-99.6000109L46 Y60 K61 I71 L104 I106 D113 G115 G132 V133 V135L46-Y117 HydrophobicContact CD1-CD1 3.96Å; L46-Y117 HydrophobicContact CD1-CD2 4.05Å; L46-Y117 HydrophobicContact CD1-CG 3.52Å; Y60-Y117 CarbonylContact O-C 3.59Å; Y60-Y117 VanDerWaalsContact O-CA 3.28Å; Y60-Y117 WeakPolarHBondContact O-CA 3.43Å; K61-Y117 HydrophobicContact CB-CD1 4.39Å; K61-Y117 HydrophobicContact CB-CE1 4.15Å; K61-Y117 HydrophobicContact CD-CE1 4.28Å; K61-Y117 HydrophobicContact CG-CE1 4.04Å; K61-Y117 HydrophobicContact CG-CE2 4.33Å; I71-Y117 HydrophobicContact CD1-CD1 3.57Å; I71-Y117 HydrophobicContact CD1-CE1 3.61Å; L104-Y117 HydrophobicContact CD2-CD1 3.78Å; L104-Y117 HydrophobicContact CD2-CE1 4.2Å; I106-Y117 HydrophobicContact CD1-CD1 4.23Å; I106-Y117 HydrophobicContact CD1-CE1 3.42Å; I106-Y117 VanDerWaalsContact CD1-CE1 3.42Å; I106-Y117 HydrophobicContact CD1-CE2 4.38Å; I106-Y117 WeakPolarHBondContact CD1-OH 3.28Å; D113-Y117 WeakPolarHBondContact O-CE2 3.41Å; D113-Y117 PolarHBondContact O-OH 2.83Å; G115-Y117 WeakPolarHBondContact O-CD2 3.34Å; Y117-G132 CarbonylContact O-C 3.45Å; Y117-G132 WeakPolarHBondContact O-CA 3.33Å; Y117-V133 PolarHBondContact N-O 3.3Å; Y117-V133 PolarHBondContact O-N 2.82Å; Y117-V135 HydrophobicContact CD2-CB 4.02Å; Y117-V135 HydrophobicContact CD2-CG2 3.7Å; Y117-V135 HydrophobicContact CE2-CB 3.83Å; Y117-V135 HydrophobicContact CE2-CG2 3.91Å
118L91.5Very high84.2Confident30 Ų3052 Ų5216%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-107.6132-178.4-53.3169.5000108.5Y60 P68 T116 F129 K131Y60-L118 PolarHBondContact N-O 3.19Å; Y60-L118 PolarHBondContact O-N 2.82Å; P68-L118 HydrophobicContact CB-CD1 4.29Å; P68-L118 HydrophobicContact CG-CD1 4.03Å; T116-L118 HydrophobicContact CG2-CD2 3.81Å; T116-L118 HydrophobicContact CG2-CG 4.38Å; L118-F129 HydrophobicContact CB-CD1 3.91Å; L118-F129 HydrophobicContact CB-CE1 3.97Å; L118-F129 HydrophobicContact CD1-CD1 4.36Å; L118-F129 HydrophobicContact CD1-CE1 4.11Å; L118-K131 WeakPolarHBondContact CA-O 3.42Å
119C90.9Very high83.7Confident0 Ų052.9 Ų52.90%029%0.291CS..EExtended strand (participates in β ladder)trans-104.8142.4168.266.60000109.9C48 F50 F58 W59 V130 K131C48-C119 HydrophobicContact CB-CB 3.63Å; C48-C119 WeakPolarHBondContact CB-SG 3.48Å; C48-C119 WeakPolarHBondContact SG-CB 3.48Å; C48-C119 CovalentContact SG-SG 2Å; C48-C119 PolarHBondContact SG-SG 2.83Å; F50-C119 HydrophobicContact CZ-CB 4.05Å; F58-C119 WeakPolarHBondContact O-CA 3.42Å; W59-C119 HydrophobicContact CD2-CB 4.14Å; W59-C119 HydrophobicContact CE3-CB 3.92Å; W59-C119 HydrophobicContact CH2-CB 3.9Å; W59-C119 HydrophobicContact CZ2-CB 4.1Å; W59-C119 HydrophobicContact CZ3-CB 3.81Å; C119-V130 PolarHBondContact O-N 3.1Å; C119-K131 PolarHBondContact N-O 2.9Å; C119-K131 PolarHBondContact SG-O 2.81Å
120A89.2Confident83.1Confident0 Ų056.2 Ų56.20%031%0.311CS..EExtended strand (participates in β ladder)trans-138.5161.5177.600000110.2F58 Y60 L127 T128 F129F58-A120 HydrophobicContact CB-CB 4.29Å; F58-A120 PolarHBondContact N-O 2.95Å; F58-A120 PolarHBondContact O-N 2.85Å; Y60-A120 HydrophobicContact CE2-CB 4.29Å; A120-L127 HydrophobicContact CB-CD2 3.54Å; A120-L127 HydrophobicContact CB-CG 4.04Å; A120-T128 CarbonylContact C-O 3.59Å; A120-T128 WeakPolarHBondContact CA-O 3.49Å; A120-T128 VanDerWaalsContact CB-O 3.28Å; A120-T128 WeakPolarHBondContact CB-O 3.38Å; A120-F129 HydrophobicContact CB-CD1 3.79Å; A120-F129 HydrophobicContact CB-CE1 3.99Å; A120-F129 HydrophobicContact CB-CG 4.18Å
121S87.2Confident82.9Confident2 Ų255.2 Ų55.21%0.01431%0.305CS..EExtended strand (participates in β ladder)trans-125.1152.1176550000111.5E54 S56 L127 T128E54-S121 WeakPolarHBondContact OE1-CB 3.35Å; E54-S121 PolarHBondContact OE1-OG 2.75Å; E54-S121 WeakPolarHBondContact OE2-CB 3.25Å; E54-S121 PolarHBondContact OE2-OG 3.31Å; E54-S121 VanDerWaalsContact OE2-OG 3.12Å; S56-S121 CarbonylContact O-C 3.53Å; S56-S121 VanDerWaalsContact O-CA 3.31Å; S56-S121 WeakPolarHBondContact O-CA 3.39Å; S121-L127 CarbonylContact O-C 3.55Å; S121-L127 VanDerWaalsContact O-CA 3.29Å; S121-L127 WeakPolarHBondContact O-CA 3.46Å; S121-T128 PolarHBondContact N-O 2.84Å; S121-T128 PolarHBondContact O-N 2.85Å
122G80.9Confident83.2Confident5 Ų553.7 Ų53.75%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-125.2128.5-179.600000112.2A55 S56 L126A55-G122 PolarHBondContact N-O 2.9Å; A55-G122 VanDerWaalsContact N-O 3.14Å; S56-G122 PolarHBondContact N-O 2.87Å; S56-G122 PolarHBondContact O-N 3.22Å; S56-G122 WeakPolarHBondContact OG-CA 3.44Å; S56-G122 PolarHBondContact OG-O 2.82Å; S56-G122 VanDerWaalsContact OG-O 3.12Å; G122-L126 VanDerWaalsContact CA-O 3.24Å; G122-L126 WeakPolarHBondContact CA-O 3.37Å
123L77.7Confident83.3Confident88 Ų8851 Ų5146%0.46128%0.279SS..EExtended strand (participates in β ladder)trans-119.1106.8162.8-17368.2000108.6E53 F125 L126E53-L123 WeakPolarHBondContact O-CD1 3.4Å; L123-F125 PolarHBondContact O-N 2.78Å; L123-L126 PolarHBondContact N-O 3.15Å; L123-L126 PolarHBondContact O-N 2.79Å
124S71.6Confident83.1Confident107 Ų10752.2 Ų52.275%0.74829%0.287SS*.THydrogen-bonded Turntrans54.7-98.7-174-58.70000112.8
125F68.1Low83.1Confident206 Ų20650.8 Ų50.890%0.90428%0.278SS*.THydrogen-bonded Turntrans-105-8.3-176.7-40.6-76.9000113.3L123L123-F125 PolarHBondContact O-N 2.78Å
126L77.8Confident82.8Confident130 Ų13050.8 Ų50.868%0.68128%0.277SS*.EExtended strand (participates in β ladder)trans-92.2127.2-178.9-70.3172.7000109.5G122 L123G122-L126 VanDerWaalsContact CA-O 3.24Å; G122-L126 WeakPolarHBondContact CA-O 3.37Å; L123-L126 PolarHBondContact N-O 3.15Å; L123-L126 PolarHBondContact O-N 2.79Å
127L80.9Confident82.4Confident73 Ų7349.3 Ų49.338%0.38227%0.268SS..EExtended strand (participates in β ladder)trans-114.8120.5173.2-171.3151000109.2F58 A120 S121 F129F58-L127 HydrophobicContact CD2-CD1 4.33Å; F58-L127 HydrophobicContact CE2-CD1 4.46Å; F58-L127 HydrophobicContact CG-CD1 4.46Å; A120-L127 HydrophobicContact CB-CD2 3.54Å; A120-L127 HydrophobicContact CB-CG 4.04Å; S121-L127 CarbonylContact O-C 3.55Å; S121-L127 VanDerWaalsContact O-CA 3.29Å; S121-L127 WeakPolarHBondContact O-CA 3.46Å; L127-F129 HydrophobicContact CD2-CD2 3.82Å; L127-F129 HydrophobicContact CD2-CE1 4.41Å; L127-F129 HydrophobicContact CD2-CE2 3.44Å; L127-F129 VanDerWaalsContact CD2-CE2 3.44Å; L127-F129 HydrophobicContact CD2-CG 4.45Å; L127-F129 HydrophobicContact CD2-CZ 3.77Å
128T80.7Confident81.5Confident79 Ų7953.1 Ų53.149%0.48528%0.284SS..EExtended strand (participates in β ladder)trans-114.4121.2-177.1-54.40000109.3A120 S121A120-T128 CarbonylContact C-O 3.59Å; A120-T128 WeakPolarHBondContact CA-O 3.49Å; A120-T128 VanDerWaalsContact CB-O 3.28Å; A120-T128 WeakPolarHBondContact CB-O 3.38Å; S121-T128 PolarHBondContact N-O 2.84Å; S121-T128 PolarHBondContact O-N 2.85Å
129F80.8Confident80.3Confident109 Ų10953.9 Ų53.948%0.47829%0.289SS..EExtended strand (participates in β ladder)trans-79.4124.5171.6-74.3-84.1000109.7Y60 L118 A120 L127Y60-F129 AromaticContact CD2-CE1 3.84Å; Y60-F129 HydrophobicContact CD2-CE1 3.84Å; Y60-F129 HydrophobicContact CD2-CZ 4.34Å; Y60-F129 HydrophobicContact CE2-CE1 4.18Å; Y60-F129 HydrophobicContact CE2-CZ 4.34Å; Y60-F129 HydrophobicContact CG-CE1 4.43Å; L118-F129 HydrophobicContact CB-CD1 3.91Å; L118-F129 HydrophobicContact CB-CE1 3.97Å; L118-F129 HydrophobicContact CD1-CD1 4.36Å; L118-F129 HydrophobicContact CD1-CE1 4.11Å; A120-F129 HydrophobicContact CB-CD1 3.79Å; A120-F129 HydrophobicContact CB-CE1 3.99Å; A120-F129 HydrophobicContact CB-CG 4.18Å; L127-F129 HydrophobicContact CD2-CD2 3.82Å; L127-F129 HydrophobicContact CD2-CE1 4.41Å; L127-F129 HydrophobicContact CD2-CE2 3.44Å; L127-F129 VanDerWaalsContact CD2-CE2 3.44Å; L127-F129 HydrophobicContact CD2-CG 4.45Å; L127-F129 HydrophobicContact CD2-CZ 3.77Å
130V77.3Confident78.5Confident69 Ų6958 Ų5842%0.41832%0.317SS..EExtended strand (participates in β ladder)trans-100.7-45.8-172.7-179.10000111.1F50 C119F50-V130 HydrophobicContact CD1-CB 4.45Å; F50-V130 HydrophobicContact CD1-CG2 3.77Å; F50-V130 HydrophobicContact CE1-CB 4.13Å; F50-V130 HydrophobicContact CE1-CG2 3.67Å; C119-V130 PolarHBondContact O-N 3.1Å
131K81.9Confident76.5Confident58 Ų5860.9 Ų60.925%0.25234%0.341SS..EExtended strand (participates in β ladder)trans-150.2146.9-175.4-169.2171.3-176.2167.50111.8H31 L118 C119 V133H31-K131 PolarHBondContact O-NZ 2.78Å; L118-K131 WeakPolarHBondContact CA-O 3.42Å; C119-K131 PolarHBondContact N-O 2.9Å; C119-K131 PolarHBondContact SG-O 2.81Å; K131-V133 HydrophobicContact CD-CG2 4.39Å; K131-V133 HydrophobicContact CG-CG2 4.29Å
132G85Confident74.5Confident26 Ų2665.7 Ų65.727%0.26837%0.37SS..EExtended strand (participates in β ladder)trans-122.9133.617000000111.1Y117Y117-G132 CarbonylContact O-C 3.45Å; Y117-G132 WeakPolarHBondContact O-CA 3.33Å
133V85.3Confident72.8Confident13 Ų1369.5 Ų69.58%0.07941%0.41CS..EExtended strand (participates in β ladder)trans-129.8127.1175.5-178.10000109.2I36 L46 Y117 K131I36-V133 HydrophobicContact CD1-CG1 3.97Å; I36-V133 HydrophobicContact CG1-CG1 3.93Å; L46-V133 HydrophobicContact CD2-CB 4.37Å; L46-V133 HydrophobicContact CD2-CG1 4.04Å; Y117-V133 PolarHBondContact N-O 3.3Å; Y117-V133 PolarHBondContact O-N 2.82Å; K131-V133 HydrophobicContact CD-CG2 4.39Å; K131-V133 HydrophobicContact CG-CG2 4.29Å
134T84.8Confident71.6Confident26 Ų2667 Ų6716%0.1641%0.406CS..EExtended strand (participates in β ladder)trans-88.8115.6177.9-58.80000110.8G34 F35 I36 G115 T116 V136G34-T134 PolarHBondContact O-N 3.16Å; F35-T134 CarbonylContact C-O 3.59Å; F35-T134 WeakPolarHBondContact CA-O 3.43Å; I36-T134 PolarHBondContact N-O 3.42Å; G115-T134 CarbonylContact O-C 3.59Å; G115-T134 WeakPolarHBondContact O-CA 3.48Å; T116-T134 PolarHBondContact OG1-OG1 2.83Å; T134-V136 HydrophobicContact CG2-CG2 4.32Å
135V85.8Confident70.9Confident0 Ų068 Ų680%040%0.398CS..EExtended strand (participates in β ladder)trans-93.6132.7173.2-179.70000108.5I36 V44 L46 T114 G115 Y117 V137I36-V135 WeakPolarHBondContact O-CA 3.33Å; V44-V135 HydrophobicContact CG1-CG1 4.26Å; V44-V135 HydrophobicContact CG1-CG2 4.38Å; V44-V135 HydrophobicContact CG2-CG2 4.4Å; L46-V135 HydrophobicContact CD1-CG2 4.1Å; L46-V135 HydrophobicContact CD2-CG2 3.98Å; T114-V135 CarbonylContact C-O 3.56Å; T114-V135 VanDerWaalsContact CA-O 3.28Å; T114-V135 WeakPolarHBondContact CA-O 3.38Å; G115-V135 PolarHBondContact N-O 2.73Å; G115-V135 PolarHBondContact O-N 3.18Å; Y117-V135 HydrophobicContact CD2-CB 4.02Å; Y117-V135 HydrophobicContact CD2-CG2 3.7Å; Y117-V135 HydrophobicContact CE2-CB 3.83Å; Y117-V135 HydrophobicContact CE2-CG2 3.91Å; V135-V137 HydrophobicContact CG1-CG2 4.23Å
136V80.3Confident70.7Confident6 Ų658.6 Ų58.64%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-121.3119.8174.9174.70000107.9I36 L37 A38 T114 T134 F243I36-V136 PolarHBondContact O-N 2.87Å; L37-V136 WeakPolarHBondContact CA-O 3.05Å; L37-V136 HydrophobicContact CD2-CB 3.76Å; L37-V136 HydrophobicContact CD2-CG1 3.75Å; L37-V136 HydrophobicContact CD2-CG2 4.47Å; A38-V136 PolarHBondContact N-O 3.18Å; T114-V136 HydrophobicContact CG2-CG2 4.44Å; T134-V136 HydrophobicContact CG2-CG2 4.32Å; V136-F243 HydrophobicContact CB-CE2 4.24Å; V136-F243 HydrophobicContact CB-CZ 4.46Å; V136-F243 HydrophobicContact CG1-CD2 3.98Å; V136-F243 HydrophobicContact CG1-CE2 3.3Å; V136-F243 HydrophobicContact CG1-CZ 3.97Å; V136-F243 HydrophobicContact CG2-CE2 4.02Å; V136-F243 HydrophobicContact CG2-CZ 3.78Å
137V80.3Confident70.5Confident8 Ų856.4 Ų56.45%0.04835%0.347CS..EExtended strand (participates in β ladder)trans-98.5113.8178.8-173.60000109.8A38 V40 L109 H110 D113 T114 V135A38-V137 CarbonylContact O-C 3.58Å; A38-V137 VanDerWaalsContact O-CA 3.22Å; A38-V137 WeakPolarHBondContact O-CA 3.32Å; V40-V137 HydrophobicContact CB-CG1 4.36Å; V40-V137 HydrophobicContact CG2-CG1 3.66Å; L109-V137 HydrophobicContact CB-CG1 3.89Å; L109-V137 HydrophobicContact CB-CG2 4.06Å; L109-V137 HydrophobicContact CD1-CG2 4.34Å; L109-V137 HydrophobicContact CD2-CG2 4.03Å; L109-V137 HydrophobicContact CG-CG2 4.39Å; H110-V137 WeakPolarHBondContact O-CG2 3.3Å; D113-V137 HydrophobicContact CB-CG2 4.09Å; T114-V137 PolarHBondContact OG1-N 3.11Å; V135-V137 HydrophobicContact CG1-CG2 4.23Å
138K73.3Confident70.5Confident80 Ų8053.6 Ų53.635%0.34833%0.333SS..EExtended strand (participates in β ladder)trans-84.5131.5178.5-64.2-175.3176.1-170.10110.7A38 D39 V40A38-K138 PolarHBondContact O-N 3.49Å; D39-K138 CarbonylContact C-O 3.55Å; D39-K138 WeakPolarHBondContact CA-O 3.23Å; V40-K138 WeakPolarHBondContact CG2-O 3.35Å; V40-K138 PolarHBondContact N-O 2.93Å
139D65.7Low70.6Confident46 Ų4654.5 Ų54.525%0.24633%0.332CS..  trans-103.797.4175.4-171.94.6000109.6V40 A141 R240V40-D139 HydrophobicContact CG2-CB 3.8Å; D139-A141 PolarHBondContact O-N 2.99Å; D139-A141 PolarHBondContact OD1-N 2.94Å; D139-R240 IonicContact OD1-NH2 3.87Å; D139-R240 IonicContact OD2-CZ 3.21Å; D139-R240 IonicContact OD2-NE 2.98Å; D139-R240 PolarHBondContact OD2-NE 2.96Å; D139-R240 IonicContact OD2-NH2 2.74Å; D139-R240 PolarHBondContact OD2-NH2 3.47Å
140S54.8Low70.8Confident86 Ų8650.7 Ų50.760%0.60132%0.315SS*.  trans-81.37.4-177.5-46.10000113.6
141A46.3Very low71.2Confident61 Ų6149.4 Ų49.450%0.50431%0.312SS..  trans-126.998.1-173.100000111.4D139 R240D139-A141 PolarHBondContact O-N 2.99Å; D139-A141 PolarHBondContact OD1-N 2.94Å; A141-R240 PolarHBondContact O-NH2 2.91Å
142V44.4Very low71.3Confident103 Ų10350.6 Ų50.662%0.62433%0.332SS*.SBendtrans152.3116.9143.7163.70000105.8G144 R240V142-G144 PolarHBondContact O-N 3.24Å; V142-R240 PolarHBondContact O-NH1 3.2Å
143G45.6Very low71.3Confident86 Ų8653 Ų5389%0.88735%0.345SS*.SBendtrans-45110.2-179.800000112
144G53.4Low71.5Confident36 Ų3655.9 Ų55.937%0.37136%0.358SS..  trans161.714.2-171.800000112.3V142 A146V142-G144 PolarHBondContact O-N 3.24Å; G144-A146 PolarHBondContact O-N 2.99Å
145E56.4Low71.5Confident127 Ų12757.7 Ų57.759%0.59337%0.371SS*.  trans-60.3125.3177.1-66.4-176.216500108.9L147E145-L147 PolarHBondContact O-N 2.96Å
146A63.4Low71.5Confident8 Ų857.8 Ų57.87%0.06637%0.372CS..  trans-71116.2166.200000107G144 V148 V168 Q169 T170 D242G144-A146 PolarHBondContact O-N 2.99Å; A146-V148 PolarHBondContact O-N 2.82Å; A146-V168 HydrophobicContact CB-CG1 4.22Å; A146-Q169 CarbonylContact C-O 3.53Å; A146-Q169 WeakPolarHBondContact CA-O 3.2Å; A146-T170 HydrophobicContact CB-CG2 3.92Å; A146-D242 HydrophobicContact CB-CB 4.49Å; A146-D242 WeakPolarHBondContact CB-OD2 3.42Å; A146-D242 PolarHBondContact N-OD2 2.79Å
147L73.9Confident71.7Confident85 Ų8564.3 Ų64.345%0.44540%0.396SS..EExtended strand (participates in β ladder)trans-74.9112.7178.1-175.966.8000108.3E145 H149 V168 Q169E145-L147 PolarHBondContact O-N 2.96Å; L147-H149 WeakPolarHBondContact CD2-NE2 3.28Å; L147-H149 WeakPolarHBondContact CG-NE2 3.48Å; L147-V168 WeakPolarHBondContact O-CA 2.93Å; L147-Q169 HydrophobicContact CB-CB 4.25Å; L147-Q169 PolarHBondContact N-O 2.97Å; L147-Q169 PolarHBondContact O-N 2Å
148V81.4Confident72Confident14 Ų1468 Ų689%0.08542%0.42CS..EExtended strand (participates in β ladder)trans-102.8110.7-179.6-171.50000109.9A146 C166 C233 V235 D242A146-V148 PolarHBondContact O-N 2.82Å; V148-C166 WeakPolarHBondContact CG1-SG 3.44Å; V148-C233 HydrophobicContact CG1-CB 4.3Å; V148-V235 HydrophobicContact CG1-CG2 4.48Å; V148-V235 HydrophobicContact CG2-CB 4.3Å; V148-V235 HydrophobicContact CG2-CG2 3.92Å; V148-D242 HydrophobicContact CG2-CB 4.03Å
149H82.9Confident72.4Confident98 Ų9866.3 Ų66.345%0.45443%0.426SS..EExtended strand (participates in β ladder)trans-101.7134.4176.6-72.6-59.8000111.4L147 T167L147-H149 WeakPolarHBondContact CD2-NE2 3.28Å; L147-H149 WeakPolarHBondContact CG-NE2 3.48Å; H149-T167 WeakPolarHBondContact CB-OG1 3.14Å; H149-T167 PolarHBondContact N-O 2.66Å; H149-T167 PolarHBondContact O-N 2.84Å; H149-T167 PolarHBondContact O-OG1 3.09Å
150Q85.6Confident73.5Confident28 Ų2867.4 Ų67.413%0.13143%0.431CS..EExtended strand (participates in β ladder)trans-135.1148.6175.4-69.2-170.1-95.100109.6Y231 C233 G244 G246 T247Q150-Y231 PolarHBondContact NE2-O 2.88Å; Q150-C233 HydrophobicContact CG-CB 4.09Å; Q150-C233 VanDerWaalsContact OE1-N 3.09Å; Q150-G244 VanDerWaalsContact OE1-C 3.23Å; Q150-G244 VanDerWaalsContact OE1-CA 3.28Å; Q150-G246 VanDerWaalsContact OE1-CA 3.31Å; Q150-T247 PolarHBondContact NE2-OG1 3.3Å
151A85Confident75.1Confident43 Ų4367.2 Ų67.236%0.35543%0.43SS..  trans-63141.2167.300000109.7T247A151-T247 HydrophobicContact CB-CG2 4.36Å; A151-T247 VanDerWaalsContact O-CA 3.24Å; A151-T247 WeakPolarHBondContact O-CA 3.41Å; A151-T247 VanDerWaalsContact O-CB 3.24Å; A151-T247 WeakPolarHBondContact O-CB 3.43Å; A151-T247 WeakPolarHBondContact O-CG2 3.32Å; A151-T247 PolarHBondContact O-OG1 3Å
152A84.3Confident77Confident82 Ų8265.2 Ų65.268%0.67841%0.412SS*.SBendtrans-68.8-36.3-177.100000112.4K248A152-K248 PolarHBondContact O-N 2.88Å
153S85.4Confident79.1Confident77 Ų7763.4 Ų63.454%0.53840%0.401SS..EExtended strand (participates in β ladder)trans-152.7150.1-177.657.10000111.6K248S153-K248 CarbonylContact C-O 3.57Å; S153-K248 VanDerWaalsContact CA-O 3.26Å; S153-K248 WeakPolarHBondContact CA-O 3.11Å
154E88.3Confident81.1Confident74 Ų7459.3 Ų59.335%0.34636%0.359SS..EExtended strand (participates in β ladder)trans-134.4143.4171.6-78.3-67.4173.500108.8V162 L164 T247 K248 L249 E250E154-V162 HydrophobicContact CB-CG1 4.48Å; E154-L164 HydrophobicContact CB-CD2 4.14Å; E154-L164 HydrophobicContact CG-CD2 3.91Å; E154-T247 HydrophobicContact CB-CG2 4.15Å; E154-T247 HydrophobicContact CG-CG2 3.78Å; E154-K248 PolarHBondContact N-O 3.12Å; E154-L249 HydrophobicContact CB-CD1 4.04Å; E154-L249 WeakPolarHBondContact O-CA 3.32Å; E154-E250 PolarHBondContact O-N 3.06Å
155S85.2Confident82.8Confident63 Ų6361.1 Ų61.144%0.44136%0.36SS..EExtended strand (participates in β ladder)trans-121142.6176.561.60000110.9E250 E252S155-E250 WeakPolarHBondContact CA-O 3.42Å; S155-E252 PolarHBondContact OG-OE1 2.93Å
156A85Confident84.2Confident2 Ų255 Ų552%0.01733%0.331CS..EExtended strand (participates in β ladder)trans-143.5149.6-179.100000110.8D160 V162 I223 L249 E250 L251 E252A156-D160 HydrophobicContact CB-CB 4.29Å; A156-V162 HydrophobicContact CB-CG2 3.55Å; A156-I223 HydrophobicContact CB-CB 4.26Å; A156-I223 HydrophobicContact CB-CG1 4.08Å; A156-I223 HydrophobicContact CB-CG2 4.12Å; A156-L249 HydrophobicContact CB-CD1 4.36Å; A156-E250 PolarHBondContact N-O 3.02Å; A156-L251 CarbonylContact O-C 3.58Å; A156-L251 VanDerWaalsContact O-CA 3.3Å; A156-L251 WeakPolarHBondContact O-CA 3.5Å; A156-L251 WeakPolarHBondContact O-CD2 3.26Å; A156-E252 PolarHBondContact O-N 3.3Å
157R86.2Confident85.3Confident144 Ų14457.1 Ų57.154%0.54334%0.343SS..  trans-82.5156.3168-58.5178.9-178.9172.20.6110.1G159 D160 E252R157-G159 PolarHBondContact O-N 3.48Å; R157-D160 WeakPolarHBondContact CA-OD2 3.42Å; R157-D160 VanDerWaalsContact CB-OD2 3.25Å; R157-D160 WeakPolarHBondContact CB-OD2 3.24Å; R157-D160 PolarHBondContact N-OD2 2.85Å; R157-D160 WeakPolarHBondContact O-CB 3.34Å; R157-D160 PolarHBondContact O-N 2.77Å; R157-D160 VanDerWaalsContact O-N 3.11Å; R157-E252 HydrophobicContact CG-CB 4.22Å; R157-E252 WeakPolarHBondContact CG-OE2 3.19Å; R157-E252 IonicContact CZ-OE2 2.87Å; R157-E252 IonicContact NE-OE2 3.7Å; R157-E252 PolarHBondContact NE-OE2 2.84Å; R157-E252 VanDerWaalsContact NE-OE2 3.08Å; R157-E252 IonicContact NH2-OE2 2.87Å
158P85.1Confident85.7Confident85 Ų8553 Ų5355%0.55232%0.322SS*.THydrogen-bonded Turntrans-56.8127.4171.5-2333.9000111I223 L251P158-I223 CarbonylContact C-O 3.54Å; P158-I223 WeakPolarHBondContact CA-O 3.45Å; P158-L251 HydrophobicContact CG-CD2 4.17Å
159G82.9Confident85.6Confident45 Ų4555.9 Ų55.946%0.46433%0.334SS..THydrogen-bonded Turntrans93.6-12-177.700000115.1R157 I223R157-G159 PolarHBondContact O-N 3.48Å; G159-I223 PolarHBondContact N-O 3.26Å
160D87.8Confident85Confident68 Ų6851.2 Ų51.236%0.36431%0.313SS..  trans-65.5165.6176.7-71.3-8000111.7A156 R157 N222 I223A156-D160 HydrophobicContact CB-CB 4.29Å; R157-D160 WeakPolarHBondContact CA-OD2 3.42Å; R157-D160 VanDerWaalsContact CB-OD2 3.25Å; R157-D160 WeakPolarHBondContact CB-OD2 3.24Å; R157-D160 PolarHBondContact N-OD2 2.85Å; R157-D160 WeakPolarHBondContact O-CB 3.34Å; R157-D160 PolarHBondContact O-N 2.77Å; R157-D160 VanDerWaalsContact O-N 3.11Å; D160-N222 PolarHBondContact O-N 2.89Å; D160-N222 VanDerWaalsContact O-N 3.11Å; D160-I223 WeakPolarHBondContact O-CG1 3.26Å; D160-I223 PolarHBondContact O-N 2.7Å
161S87.8Confident84Confident82 Ų8251.2 Ų51.257%0.57332%0.32SS*.  trans-114.3128.8165.6-58.30000109M220S161-M220 CarbonylContact C-O 3.6Å; S161-M220 WeakPolarHBondContact CA-O 3.38Å
162V88.1Confident82.7Confident19 Ų1954.7 Ų54.712%0.11534%0.342CS..EExtended strand (participates in β ladder)trans-125.7144.4-178.7169.30000109.1E154 A156 L164 M220 I223 L249E154-V162 HydrophobicContact CB-CG1 4.48Å; A156-V162 HydrophobicContact CB-CG2 3.55Å; V162-L164 HydrophobicContact CG1-CD2 4.02Å; V162-M220 PolarHBondContact N-O 2.78Å; V162-M220 WeakPolarHBondContact O-CA 3.24Å; V162-M220 WeakPolarHBondContact O-CB 3.43Å; V162-M220 PolarHBondContact O-N 3.08Å; V162-M220 VanDerWaalsContact O-O 3.11Å; V162-I223 HydrophobicContact CG2-CG1 4.49Å; V162-L249 HydrophobicContact CG1-CD1 4.38Å
163T86.6Confident81.5Confident65 Ų6551.8 Ų51.840%0.39932%0.316SS..EExtended strand (participates in β ladder)trans-116.3118.7175.7-58.90000109.3K217 L218T163-K217 HydrophobicContact CG2-CB 3.6Å; T163-K217 HydrophobicContact CG2-CD 4.19Å; T163-K217 HydrophobicContact CG2-CG 4.08Å; T163-L218 WeakPolarHBondContact CA-O 3.48Å
164L88Confident80.1Confident1 Ų156.9 Ų56.91%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-85.5131.9175.4-53.7-176.7000109.8E154 V162 W181 K217 L218 M220 Y231 T247E154-L164 HydrophobicContact CB-CD2 4.14Å; E154-L164 HydrophobicContact CG-CD2 3.91Å; V162-L164 HydrophobicContact CG1-CD2 4.02Å; L164-W181 HydrophobicContact CB-CH2 3.85Å; L164-W181 HydrophobicContact CB-CZ3 4.05Å; L164-W181 HydrophobicContact CD1-CZ3 4.37Å; L164-K217 WeakPolarHBondContact O-CA 3.44Å; L164-L218 HydrophobicContact CB-CB 4.31Å; L164-L218 HydrophobicContact CD1-CD2 4.41Å; L164-L218 PolarHBondContact N-O 2.91Å; L164-L218 PolarHBondContact O-N 2.87Å; L164-M220 HydrophobicContact CD1-SD 3.97Å; L164-M220 HydrophobicContact CG-SD 4.2Å; L164-Y231 VanDerWaalsContact CD1-CB 3.46Å; L164-Y231 HydrophobicContact CD1-CD1 3.96Å; L164-Y231 HydrophobicContact CD1-CD2 3.71Å; L164-Y231 HydrophobicContact CD1-CE2 4.46Å; L164-Y231 HydrophobicContact CD1-CG 3.43Å; L164-Y231 VanDerWaalsContact CD1-CG 3.43Å; L164-T247 HydrophobicContact CD2-CG2 3.95Å
165N88.8Confident78.6Confident73 Ų7355.5 Ų55.539%0.3934%0.337SS..EExtended strand (participates in β ladder)trans-104.8135.8-176.4-66.3-21.8000111.1L215N165-L215 HydrophobicContact CB-CD1 3.99Å
166C86.6Confident77.4Confident0 Ų059.8 Ų59.80%035%0.35CS..EExtended strand (participates in β ladder)trans-127.2111.5171.7178.70000109.3V148 W181 Y216 C233V148-C166 WeakPolarHBondContact CG1-SG 3.44Å; C166-W181 HydrophobicContact CB-CH2 3.73Å; C166-W181 HydrophobicContact CB-CZ2 3.46Å; C166-W181 VanDerWaalsContact CB-CZ2 3.46Å; C166-Y216 PolarHBondContact N-O 2.87Å; C166-Y216 PolarHBondContact O-N 2.85Å; C166-C233 HydrophobicContact CB-CB 3.56Å; C166-C233 WeakPolarHBondContact CB-SG 3.13Å; C166-C233 WeakPolarHBondContact SG-CB 3.35Å; C166-C233 CovalentContact SG-SG 2.03Å; C166-C233 PolarHBondContact SG-SG 2.91Å
167T86.3Confident76.7Confident51 Ų5160.6 Ų60.631%0.31335%0.354SS..EExtended strand (participates in β ladder)trans-99126.6175.644.10000109.5H149 C214 L215H149-T167 WeakPolarHBondContact CB-OG1 3.14Å; H149-T167 PolarHBondContact N-O 2.66Å; H149-T167 PolarHBondContact O-N 2.84Å; H149-T167 PolarHBondContact O-OG1 3.09Å; T167-C214 WeakPolarHBondContact CA-O 3.25Å; T167-L215 HydrophobicContact CG2-CB 4.45Å; T167-L215 HydrophobicContact CG2-CD1 3.57Å
168V83Confident76.1Confident0 Ų059.5 Ų59.50%035%0.35CS..EExtended strand (participates in β ladder)trans-120.6114.1-171.8-176.10000107.3A146 L147 T170 T213 C214 Y216 V235A146-V168 HydrophobicContact CB-CG1 4.22Å; L147-V168 WeakPolarHBondContact O-CA 2.93Å; V168-T170 HydrophobicContact CG1-CG2 3.73Å; V168-T213 CarbonylContact O-C 3.59Å; V168-T213 WeakPolarHBondContact O-CA 3.35Å; V168-C214 PolarHBondContact N-O 3.37Å; V168-C214 PolarHBondContact O-N 3.46Å; V168-Y216 HydrophobicContact CB-CE2 4.34Å; V168-Y216 HydrophobicContact CG2-CD2 3.78Å; V168-Y216 HydrophobicContact CG2-CE2 3.93Å; V168-V235 HydrophobicContact CB-CG2 4.26Å; V168-V235 HydrophobicContact CG1-CB 4.26Å; V168-V235 HydrophobicContact CG1-CG1 3.83Å; V168-V235 HydrophobicContact CG1-CG2 3.82Å; V168-V235 HydrophobicContact CG2-CG2 3.38Å
169Q79.1Confident75.8Confident73 Ų7355.5 Ų55.534%0.34132%0.323SS..EExtended strand (participates in β ladder)trans-100.9108.5173.6-175.9176.8-22.400108.4A146 L147A146-Q169 CarbonylContact C-O 3.53Å; A146-Q169 WeakPolarHBondContact CA-O 3.2Å; L147-Q169 HydrophobicContact CB-CB 4.25Å; L147-Q169 PolarHBondContact N-O 2.97Å; L147-Q169 PolarHBondContact O-N 2Å
170T70.2Confident75.7Confident1 Ų154.7 Ų54.71%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-96.7135.9178.157.20000109.9A146 V168 H177 H212A146-T170 HydrophobicContact CB-CG2 3.92Å; V168-T170 HydrophobicContact CG1-CG2 3.73Å; T170-H177 WeakPolarHBondContact CG2-CE1 3.38Å; T170-H177 PolarHBondContact OG1-CE1 2.85Å; T170-H212 PolarHBondContact N-O 3.13Å; T170-H212 PolarHBondContact O-N 3.36Å; T170-H212 VanDerWaalsContact O-N 3.14Å; T170-H212 WeakPolarHBondContact OG1-CB 3.24Å; T170-H212 PolarHBondContact OG1-O 2.83Å; T170-H212 VanDerWaalsContact OG1-O 3.05Å
171G64.9Low75.5Confident27 Ų2751.5 Ų51.528%0.27829%0.29SS..  trans-75-132.4177.100000112.1C173G171-C173 PolarHBondContact O-N 3.1Å
172S58.2Low75.2Confident116 Ų11649.3 Ų49.381%0.81127%0.27SS*.SBendtrans-72.97-176.463.50000115.5Q174S172-Q174 PolarHBondContact O-N 3.02Å
173C59.1Low75Confident22 Ų2250.4 Ų50.415%0.14927%0.272CS..  trans-80.397.2-177.6-78.20000110.7G171 G175 C238G171-C173 PolarHBondContact O-N 3.1Å; C173-G175 VanDerWaalsContact C-N 3.29Å; C173-G175 PolarHBondContact O-N 2.9Å; C173-G175 VanDerWaalsContact O-N 3.15Å; C173-C238 HydrophobicContact CB-CB 4.24Å; C173-C238 WeakPolarHBondContact CB-SG 3.28Å; C173-C238 WeakPolarHBondContact SG-CB 3.43Å; C173-C238 CovalentContact SG-SG 2.03Å; C173-C238 PolarHBondContact SG-SG 3.47Å
174Q54.5Low74.5Confident184 Ų18450.5 Ų50.586%0.8627%0.267SS*.  trans-83.961173.7-76.7-155.3-31.200112.4S172S172-Q174 PolarHBondContact O-N 3.02Å
175G57.6Low73.6Confident45 Ų4551.6 Ų51.646%0.46428%0.275SS..SBendtrans-128.7164.6176.900000113.2C173 H177C173-G175 VanDerWaalsContact C-N 3.29Å; C173-G175 PolarHBondContact O-N 2.9Å; C173-G175 VanDerWaalsContact O-N 3.15Å; G175-H177 PolarHBondContact O-CD2 2.84Å; G175-H177 PolarHBondContact O-N 3.12Å; G175-H177 PolarHBondContact O-NE2 2.58Å
176E59.4Low72.3Confident153 Ų15353.7 Ų53.772%0.71529%0.29SS*.  trans-63.6125.9169.1-74.4176174.900110.1
177H71.3Confident70.8Confident19 Ų1962 Ų629%0.08833%0.326CS..  trans-97.9131.7178.2-58.1134.6000110.1T170 G175 Y216 V235 S237T170-H177 WeakPolarHBondContact CG2-CE1 3.38Å; T170-H177 PolarHBondContact OG1-CE1 2.85Å; G175-H177 PolarHBondContact O-CD2 2.84Å; G175-H177 PolarHBondContact O-N 3.12Å; G175-H177 PolarHBondContact O-NE2 2.58Å; H177-Y216 PolarHBondContact O-OH 3.08Å; H177-V235 HydrophobicContact CB-CG1 4.4Å; H177-S237 WeakPolarHBondContact CD2-CB 3.2Å; H177-S237 PolarHBondContact CD2-OG 2.99Å; H177-S237 PolarHBondContact NE2-OG 3.05Å
178R73.6Confident69.2Low121 Ų12167.7 Ų67.746%0.45734%0.343SS..EExtended strand (participates in β ladder)trans-108.2133.7174.9-66.8-176.1177.8166.12.7110.4Y180 D198 V235 A236R178-Y180 HydrophobicContact CB-CE2 3.83Å; R178-Y180 WeakPolarHBondContact CD-OH 3.43Å; R178-D198 IonicContact NE-OD1 2.61Å; R178-V235 CarbonylContact O-C 3.42Å; R178-V235 WeakPolarHBondContact O-CA 3.49Å; R178-A236 HydrophobicContact CB-CB 4.39Å; R178-A236 PolarHBondContact N-O 3.03Å; R178-A236 VanDerWaalsContact N-O 3.14Å; R178-A236 PolarHBondContact O-N 2.88Å
179V78.7Confident67.7Low0 Ų070.9 Ų70.90%036%0.36CS..EExtended strand (participates in β ladder)trans-116.3131.2-178.2179.30000110.9H196 Y216 C233 A234 V235V179-H196 PolarHBondContact O-N 3.46Å; V179-Y216 HydrophobicContact CB-CD1 3.87Å; V179-Y216 HydrophobicContact CB-CD2 4.39Å; V179-Y216 HydrophobicContact CB-CE1 4.05Å; V179-Y216 HydrophobicContact CB-CG 4.03Å; V179-Y216 HydrophobicContact CG1-CD1 4.43Å; V179-Y216 HydrophobicContact CG1-CG 4.17Å; V179-Y216 HydrophobicContact CG2-CD1 3.71Å; V179-Y216 HydrophobicContact CG2-CD2 3.57Å; V179-Y216 HydrophobicContact CG2-CE1 3.56Å; V179-Y216 HydrophobicContact CG2-CE2 3.42Å; V179-Y216 VanDerWaalsContact CG2-CE2 3.42Å; V179-Y216 HydrophobicContact CG2-CG 3.69Å; V179-Y216 VanDerWaalsContact CG2-CZ 3.4Å; V179-C233 WeakPolarHBondContact CG1-SG 3.17Å; V179-A234 CarbonylContact C-O 3.58Å; V179-A234 WeakPolarHBondContact CA-O 3.09Å; V179-V235 HydrophobicContact CG2-CB 4.43Å; V179-V235 HydrophobicContact CG2-CG1 4.35Å; V179-V235 HydrophobicContact CG2-CG2 3.75Å
180Y80.7Confident66.6Low28 Ų2868 Ų6811%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-121.2135.1-178.2-56.6-80000109.3L64 R178 L192 A195 C233 A234 A236L64-Y180 HydrophobicContact CD2-CD1 4.39Å; L64-Y180 HydrophobicContact CD2-CE1 3.74Å; L64-Y180 HydrophobicContact CD2-CE2 3.95Å; L64-Y180 VanDerWaalsContact CD2-CZ 3.48Å; R178-Y180 HydrophobicContact CB-CE2 3.83Å; R178-Y180 WeakPolarHBondContact CD-OH 3.43Å; Y180-L192 HydrophobicContact CD1-CD1 4.14Å; Y180-L192 HydrophobicContact CG-CD1 4.49Å; Y180-A195 HydrophobicContact CD1-CB 3.78Å; Y180-A195 HydrophobicContact CE1-CB 3.96Å; Y180-C233 CarbonylContact O-C 3.59Å; Y180-A234 PolarHBondContact N-O 3.46Å; Y180-A234 PolarHBondContact O-N 3.3Å; Y180-A236 HydrophobicContact CE2-CB 3.93Å
181W83.7Confident66Low2 Ų269.7 Ų69.71%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-107.6119.6175-73.791.5000110L164 C166 V193 Y194 L218 Y232 C233L164-W181 HydrophobicContact CB-CH2 3.85Å; L164-W181 HydrophobicContact CB-CZ3 4.05Å; L164-W181 HydrophobicContact CD1-CZ3 4.37Å; C166-W181 HydrophobicContact CB-CH2 3.73Å; C166-W181 HydrophobicContact CB-CZ2 3.46Å; C166-W181 VanDerWaalsContact CB-CZ2 3.46Å; W181-V193 PolarHBondContact O-N 3.26Å; W181-Y194 PolarHBondContact N-O 3.12Å; W181-Y194 PolarHBondContact O-N 3.44Å; W181-L218 HydrophobicContact CB-CD2 4.01Å; W181-L218 HydrophobicContact CD2-CB 3.99Å; W181-L218 HydrophobicContact CD2-CD2 3.83Å; W181-L218 HydrophobicContact CD2-CG 4.47Å; W181-L218 HydrophobicContact CE3-CD2 3.99Å; W181-L218 HydrophobicContact CG-CB 4.29Å; W181-L218 HydrophobicContact CG-CD2 3.85Å; W181-L218 HydrophobicContact CG-CG 4.46Å; W181-L218 HydrophobicContact CZ2-CB 3.99Å; W181-Y232 WeakPolarHBondContact CA-O 3.26Å; W181-C233 HydrophobicContact CD2-CB 4.39Å; W181-C233 HydrophobicContact CE3-CB 4.2Å; W181-C233 HydrophobicContact CH2-CB 4.05Å; W181-C233 HydrophobicContact CZ2-CB 4.21Å; W181-C233 HydrophobicContact CZ3-CB 4.04Å
182F81.8Confident65.8Low35 Ų3572.4 Ų72.415%0.15437%0.373CS..EExtended strand (participates in β ladder)trans-105.3140.1175-64.7-88.4000109.5G191 L192 Y231 Y232 A234 F243F182-G191 WeakPolarHBondContact CA-O 2.95Å; F182-L192 HydrophobicContact CD1-CB 4.37Å; F182-L192 HydrophobicContact CD1-CD1 4.35Å; F182-L192 HydrophobicContact CE1-CB 4.18Å; F182-L192 HydrophobicContact CE1-CD1 3.97Å; F182-L192 HydrophobicContact CE2-CD1 4.4Å; F182-L192 HydrophobicContact CZ-CD1 4Å; F182-Y231 CarbonylContact O-C 3.54Å; F182-Y231 WeakPolarHBondContact O-CA 3.34Å; F182-Y232 PolarHBondContact N-O 3.22Å; F182-Y232 PolarHBondContact O-N 2.93Å; F182-A234 HydrophobicContact CD2-CB 3.92Å; F182-A234 HydrophobicContact CE2-CB 3.67Å; F182-F243 AromaticContact CD2-CE1 3.81Å; F182-F243 HydrophobicContact CD2-CE1 3.81Å; F182-F243 HydrophobicContact CD2-CZ 4.28Å; F182-F243 HydrophobicContact CE2-CE1 4.07Å; F182-F243 HydrophobicContact CE2-CZ 4.06Å
183R82.5Confident65.9Low43 Ų4370.3 Ų70.316%0.16236%0.355CS..EExtended strand (participates in β ladder)trans-117.8126.1175.5-179.5-169.2174.4-161.5-11.8110.8P190 G191 V193 S226 H227 V228 T230 Y231R183-P190 WeakPolarHBondContact O-CA 3.19Å; R183-P190 WeakPolarHBondContact O-CB 3.07Å; R183-G191 PolarHBondContact N-O 3.22Å; R183-G191 PolarHBondContact O-N 2.95Å; R183-V193 HydrophobicContact CB-CB 4.38Å; R183-V193 HydrophobicContact CB-CG2 3.19Å; R183-V193 HydrophobicContact CG-CG2 4.25Å; R183-S226 PolarHBondContact NH1-O 3.31Å; R183-S226 VanDerWaalsContact NH2-C 3.33Å; R183-S226 PolarHBondContact NH2-O 3.2Å; R183-H227 PolarHBondContact NH2-O 3.42Å; R183-V228 PolarHBondContact NH2-O 2.94Å; R183-T230 WeakPolarHBondContact CA-O 3.48Å; R183-Y231 HydrophobicContact CB-CD1 3.94Å; R183-Y231 HydrophobicContact CB-CE1 3.85Å; R183-Y231 VanDerWaalsContact CD-CZ 3.49Å; R183-Y231 VanDerWaalsContact CD-OH 3.26Å; R183-Y231 WeakPolarHBondContact CD-OH 3.4Å; R183-Y231 HydrophobicContact CG-CD1 4.03Å; R183-Y231 HydrophobicContact CG-CE1 3.65Å; R183-Y231 HydrophobicContact CG-CE2 4.17Å; R183-Y231 HydrophobicContact CG-CG 4.45Å; R183-Y231 PolarHBondContact NE-OH 3.3Å; R183-Y231 VanDerWaalsContact NE-OH 3.09Å
184K76Confident66Low66 Ų6674 Ų7429%0.28737%0.367SS..EExtended strand (participates in β ladder)trans-96.1107.9168.2-177.2179.7-170.6-179.70110.4F35 P190 G229 T230 Y232F35-K184 HydrophobicContact CE1-CD 3.82Å; F35-K184 HydrophobicContact CE1-CG 4.4Å; F35-K184 HydrophobicContact CZ-CD 4.21Å; K184-P190 HydrophobicContact CB-CB 4.16Å; K184-P190 HydrophobicContact CB-CG 3.64Å; K184-P190 HydrophobicContact CD-CG 4.4Å; K184-P190 HydrophobicContact CG-CG 3.67Å; K184-G229 CarbonylContact O-C 3.56Å; K184-G229 VanDerWaalsContact O-CA 3.3Å; K184-G229 WeakPolarHBondContact O-CA 3.46Å; K184-T230 PolarHBondContact N-O 2.93Å; K184-T230 PolarHBondContact O-N 2.89Å; K184-Y232 HydrophobicContact CB-CD2 4.42Å; K184-Y232 HydrophobicContact CB-CE2 3.76Å; K184-Y232 HydrophobicContact CD-CE2 4.08Å
185S69.9Low66.1Low25 Ų2567.8 Ų67.818%0.17535%0.347CS..  trans-84.3160.4170-178.20000110.3K187S185-K187 VanDerWaalsContact C-N 3.27Å; S185-K187 PolarHBondContact OG-N 3.14Å
186T62.2Low66.2Low117 Ų11767.1 Ų67.172%0.71833%0.332SS*.SBendtrans-71.5-23.9171.549.50000112.7
187K54.7Low65.6Low173 Ų17362.2 Ų62.275%0.75232%0.322SS*.SBendtrans-104.4-20-176.2-69.4-170.5176.9-169.70114.8S185S185-K187 VanDerWaalsContact C-N 3.27Å; S185-K187 PolarHBondContact OG-N 3.14Å
188Y53.2Low64.4Low171 Ų17165.6 Ų65.667%0.67134%0.341SS*.SBendtrans-130.3149.5-172.7-57.1-72.3000111.4
189D51.3Low63.3Low67 Ų6764.8 Ų64.836%0.35835%0.349SS..PPolyproline II helixtrans-56.8141.2169.8-84.7-7.7000111.1G34 G191G34-D189 WeakPolarHBondContact CA-OD1 2.7Å; G34-D189 PolarHBondContact N-OD1 3.25Å; D189-G191 PolarHBondContact O-N 3.05Å; D189-G191 VanDerWaalsContact O-N 3.16Å
190P55.1Low62.4Low13 Ų1365.9 Ų65.98%0.08436%0.358CS..PPolyproline II helixtrans-67.9120.8-168.9-32.847.6000113.1G34 F35 R183 K184G34-P190 VanDerWaalsContact CA-CD 3.4Å; F35-P190 HydrophobicContact CD1-CB 3.76Å; F35-P190 HydrophobicContact CD1-CG 3.21Å; F35-P190 HydrophobicContact CE1-CB 4.22Å; F35-P190 HydrophobicContact CE1-CG 3.49Å; F35-P190 VanDerWaalsContact CE1-CG 3.49Å; F35-P190 HydrophobicContact CG-CB 4.25Å; F35-P190 HydrophobicContact CG-CG 4.16Å; R183-P190 WeakPolarHBondContact O-CA 3.19Å; R183-P190 WeakPolarHBondContact O-CB 3.07Å; K184-P190 HydrophobicContact CB-CB 4.16Å; K184-P190 HydrophobicContact CB-CG 3.64Å; K184-P190 HydrophobicContact CD-CG 4.4Å; K184-P190 HydrophobicContact CG-CG 3.67Å
191G57.3Low61.5Low36 Ų3668.3 Ų68.337%0.37137%0.373SS..EExtended strand (participates in β ladder)trans-100.7150.8-179.300000111.4F182 R183 D189 V193F182-G191 WeakPolarHBondContact CA-O 2.95Å; R183-G191 PolarHBondContact N-O 3.22Å; R183-G191 PolarHBondContact O-N 2.95Å; D189-G191 PolarHBondContact O-N 3.05Å; D189-G191 VanDerWaalsContact O-N 3.16Å; G191-V193 PolarHBondContact O-N 2.85Å
192L60.7Low60.9Low84 Ų8473.5 Ų73.544%0.4440%0.397SS..EExtended strand (participates in β ladder)trans-65.1118.9164.5-178.171.5000107.9Y180 F182 A195Y180-L192 HydrophobicContact CD1-CD1 4.14Å; Y180-L192 HydrophobicContact CG-CD1 4.49Å; F182-L192 HydrophobicContact CD1-CB 4.37Å; F182-L192 HydrophobicContact CD1-CD1 4.35Å; F182-L192 HydrophobicContact CE1-CB 4.18Å; F182-L192 HydrophobicContact CE1-CD1 3.97Å; F182-L192 HydrophobicContact CE2-CD1 4.4Å; F182-L192 HydrophobicContact CZ-CD1 4Å; L192-A195 HydrophobicContact CD2-CB 4.4Å
193V61.4Low60.5Low72 Ų7275.1 Ų75.144%0.43641%0.412SS..EExtended strand (participates in β ladder)trans-93.6-34.7178.7172.30000111.1W181 R183 G191W181-V193 PolarHBondContact O-N 3.26Å; R183-V193 HydrophobicContact CB-CB 4.38Å; R183-V193 HydrophobicContact CB-CG2 3.19Å; R183-V193 HydrophobicContact CG-CG2 4.25Å; G191-V193 PolarHBondContact O-N 2.85Å
194Y61.2Low60Low101 Ų10179.1 Ų79.140%0.39644%0.436SS..EExtended strand (participates in β ladder)trans-158136.6-174.5-167.4-112.1000110.5W181 H196 L218W181-Y194 PolarHBondContact N-O 3.12Å; W181-Y194 PolarHBondContact O-N 3.44Å; Y194-H196 HydrophobicContact CE1-CB 4.15Å; Y194-H196 AromaticContact CE1-ND1 3.47Å; Y194-H196 WeakPolarHBondContact CE1-ND1 3.3Å; Y194-L218 HydrophobicContact CD1-CD1 3.75Å; Y194-L218 HydrophobicContact CE1-CD1 4.49Å; Y194-L218 HydrophobicContact CG-CD1 3.78Å
195A56.5Low59.6Low53 Ų5379.9 Ų79.944%0.43845%0.446SS..EExtended strand (participates in β ladder)trans-117.6113.8171.600000107.4Y180 L192Y180-A195 HydrophobicContact CD1-CB 3.78Å; Y180-A195 HydrophobicContact CE1-CB 3.96Å; L192-A195 HydrophobicContact CD2-CB 4.4Å
196H59.5Low59.2Low31 Ų3180.6 Ų80.614%0.14445%0.452CS..EExtended strand (participates in β ladder)trans-81.8122.7179.2-158.369.4000109.4V179 Y194 T199 Y216V179-H196 PolarHBondContact O-N 3.46Å; Y194-H196 HydrophobicContact CE1-CB 4.15Å; Y194-H196 AromaticContact CE1-ND1 3.47Å; Y194-H196 WeakPolarHBondContact CE1-ND1 3.3Å; H196-T199 PolarHBondContact CD2-O 3.11Å; H196-T199 PolarHBondContact NE2-O 2.92Å; H196-Y216 AromaticContact CD2-CD1 3.92Å
197G45.5Very low58.9Low49 Ų4980.8 Ų80.851%0.50546%0.455SS..  trans-86113174.900000110.9T199G197-T199 PolarHBondContact O-N 3.02Å; G197-T199 PolarHBondContact O-OG1 3.11Å
198D46.1Very low59.1Low91 Ų9180 Ų8049%0.48746%0.459SS..SBendtrans54.8-6.6156.6-57.9-22.5000120.7R178R178-D198 IonicContact NE-OD1 2.61Å
199T51Low59.3Low103 Ų10376 Ų7663%0.63245%0.452SS*.  trans-125.989.7-173.5-16.10000112.8H196 G197 D201H196-T199 PolarHBondContact CD2-O 3.11Å; H196-T199 PolarHBondContact NE2-O 2.92Å; G197-T199 PolarHBondContact O-N 3.02Å; G197-T199 PolarHBondContact O-OG1 3.11Å; T199-D201 PolarHBondContact O-N 3.41Å
200A59.4Low59.8Low23 Ų2380.4 Ų80.419%0.1947%0.471CS..  trans-55.3138.7169.500000110.6Q202 C203 C214 Y216A200-Q202 VanDerWaalsContact C-N 3.27Å; A200-Q202 PolarHBondContact O-N 2.83Å; A200-C203 WeakPolarHBondContact CB-SG 3.31Å; A200-C214 HydrophobicContact CB-CB 4.09Å; A200-Y216 HydrophobicContact CB-CD1 4.31Å; A200-Y216 HydrophobicContact CB-CE1 3.68Å; A200-Y216 HydrophobicContact CB-CE2 4.22Å
201D63.4Low60.3Low80 Ų8081 Ų8143%0.42847%0.474SS..SBendtrans-63.9-37.4-177.2-65.4-53.1000111.2T199 L215 K217T199-D201 PolarHBondContact O-N 3.41Å; D201-L215 PolarHBondContact N-O 3.36Å; D201-K217 WeakPolarHBondContact OD2-CB 3.38Å; D201-K217 WeakPolarHBondContact OD2-CG 3.35Å; D201-K217 PolarHBondContact OD2-N 2.61Å
202Q69.4Low61.1Low110 Ų11081.8 Ų81.851%0.51447%0.468SS..EExtended strand (participates in β ladder)trans-150.4122.6176.3-60.6-179.77.900109.6A200 C214 L215A200-Q202 VanDerWaalsContact C-N 3.27Å; A200-Q202 PolarHBondContact O-N 2.83Å; Q202-C214 CarbonylContact O-C 3.53Å; Q202-C214 WeakPolarHBondContact O-CA 2.91Å; Q202-L215 PolarHBondContact O-N 3.28Å
203C74.8Confident62Low70 Ų7080.1 Ų80.147%0.47346%0.461SS..EExtended strand (participates in β ladder)trans-115.4128.1167.2-70.60000109.6A200 T213 C214A200-C203 WeakPolarHBondContact CB-SG 3.31Å; C203-T213 WeakPolarHBondContact CA-O 3.37Å; C203-C214 HydrophobicContact CB-CB 4.22Å; C203-C214 WeakPolarHBondContact CB-SG 3.08Å; C203-C214 WeakPolarHBondContact SG-CB 3.3Å; C203-C214 CovalentContact SG-SG 2.05Å; C203-C214 PolarHBondContact SG-SG 2.63Å
204L72.1Confident63Low126 Ų12676.9 Ų76.966%0.6644%0.442SS*.EExtended strand (participates in β ladder)trans-112.9128.9175.1-63.4173.8000108.6T213L204-T213 PolarHBondContact N-O 3.41Å; L204-T213 PolarHBondContact O-N 3.27Å
205T67.4Low64.1Low82 Ų8273.7 Ų73.750%0.50343%0.432SS..EExtended strand (participates in β ladder)trans-95120.1170.4-54.30000108.2P207 H212T205-P207 WeakPolarHBondContact O-CD 3.32Å; T205-H212 PolarHBondContact OG1-CD2 3.1Å; T205-H212 PolarHBondContact OG1-NE2 2.76Å
206S61.5Low65.4Low41 Ų4171.7 Ų71.729%0.28741%0.413SS..  trans-74.7119.2171.6175.20000109.2D208 T209 Q210 T211S206-D208 VanDerWaalsContact C-N 3.26Å; S206-D208 PolarHBondContact O-N 2.75Å; S206-T209 VanDerWaalsContact CB-OG1 3.28Å; S206-T209 WeakPolarHBondContact CB-OG1 3.29Å; S206-T209 PolarHBondContact OG-OG1 2.82Å; S206-Q210 PolarHBondContact O-N 3.05Å; S206-T211 PolarHBondContact N-O 2.62Å; S206-T211 VanDerWaalsContact N-O 3.07Å
207P55.8Low66.6Low121 Ų12173.6 Ų73.679%0.78642%0.421SS*.THydrogen-bonded Turntrans-66.8-26.1-179.124.4-30.8000113T205T205-P207 WeakPolarHBondContact O-CD 3.32Å
208D59Low68.4Low156 Ų15671.6 Ų71.683%0.83440%0.399SS*.THydrogen-bonded Turntrans-80.6-28.4-176.3-77.2-26.7000114.1S206S206-D208 VanDerWaalsContact C-N 3.26Å; S206-D208 PolarHBondContact O-N 2.75Å
209T57.3Low70.3Confident86 Ų8671.2 Ų71.253%0.52840%0.401SS..THydrogen-bonded Turntrans-120.2-4.2-169.850.40000114S206 T211S206-T209 VanDerWaalsContact CB-OG1 3.28Å; S206-T209 WeakPolarHBondContact CB-OG1 3.29Å; S206-T209 PolarHBondContact OG-OG1 2.82Å; T209-T211 PolarHBondContact O-N 3.38Å; T209-T211 PolarHBondContact OG1-OG1 3.29Å
210Q61.1Low71.8Confident160 Ų16067.3 Ų67.375%0.74838%0.376SS*.  trans53.618.3-171.1-62.8-178.9-4.500114.1S206S206-Q210 PolarHBondContact O-N 3.05Å
211T66.5Low73Confident26 Ų2672.8 Ų72.816%0.1640%0.397CS..  trans-86.2134.5178.453.60000110.4S206 T209S206-T211 PolarHBondContact N-O 2.62Å; S206-T211 VanDerWaalsContact N-O 3.07Å; T209-T211 PolarHBondContact O-N 3.38Å; T209-T211 PolarHBondContact OG1-OG1 3.29Å
212H74.1Confident73.9Confident52 Ų5273.5 Ų73.524%0.24140%0.401CS..EExtended strand (participates in β ladder)trans-99.6114.3176.5-65.578.4000109.2T170 T205T170-H212 PolarHBondContact N-O 3.13Å; T170-H212 PolarHBondContact O-N 3.36Å; T170-H212 VanDerWaalsContact O-N 3.14Å; T170-H212 WeakPolarHBondContact OG1-CB 3.24Å; T170-H212 PolarHBondContact OG1-O 2.83Å; T170-H212 VanDerWaalsContact OG1-O 3.05Å; T205-H212 PolarHBondContact OG1-CD2 3.1Å; T205-H212 PolarHBondContact OG1-NE2 2.76Å
213T80.1Confident74.7Confident49 Ų4968.3 Ų68.330%0.30138%0.377SS..EExtended strand (participates in β ladder)trans-105.1116178-56.20000109.3V168 C203 L204V168-T213 CarbonylContact O-C 3.59Å; V168-T213 WeakPolarHBondContact O-CA 3.35Å; C203-T213 WeakPolarHBondContact CA-O 3.37Å; L204-T213 PolarHBondContact N-O 3.41Å; L204-T213 PolarHBondContact O-N 3.27Å
214C81.1Confident75.2Confident5 Ų571.1 Ų71.13%0.03438%0.381CS..EExtended strand (participates in β ladder)trans-115137.3-179-64.90000111.2T167 V168 A200 Q202 C203 Y216T167-C214 WeakPolarHBondContact CA-O 3.25Å; V168-C214 PolarHBondContact N-O 3.37Å; V168-C214 PolarHBondContact O-N 3.46Å; A200-C214 HydrophobicContact CB-CB 4.09Å; Q202-C214 CarbonylContact O-C 3.53Å; Q202-C214 WeakPolarHBondContact O-CA 2.91Å; C203-C214 HydrophobicContact CB-CB 4.22Å; C203-C214 WeakPolarHBondContact CB-SG 3.08Å; C203-C214 WeakPolarHBondContact SG-CB 3.3Å; C203-C214 CovalentContact SG-SG 2.05Å; C203-C214 PolarHBondContact SG-SG 2.63Å; C214-Y216 HydrophobicContact CB-CD2 4.41Å; C214-Y216 HydrophobicContact CB-CE2 3.7Å
215L85.2Confident75.6Confident34 Ų3473.8 Ų73.818%0.17839%0.388CS..EExtended strand (participates in β ladder)trans-105.6124175.8176.164.7000109.7N165 T167 D201 Q202 K217N165-L215 HydrophobicContact CB-CD1 3.99Å; T167-L215 HydrophobicContact CG2-CB 4.45Å; T167-L215 HydrophobicContact CG2-CD1 3.57Å; D201-L215 PolarHBondContact N-O 3.36Å; Q202-L215 PolarHBondContact O-N 3.28Å; L215-K217 VanDerWaalsContact CD2-CE 3.45Å; L215-K217 HydrophobicContact CG-CG 4.29Å
216Y83.4Confident76.2Confident10 Ų1073.5 Ų73.54%0.03939%0.389CS..EExtended strand (participates in β ladder)trans-113.8128.3174.3-64.7-91.8000109.6C166 V168 H177 V179 H196 A200 C214C166-Y216 PolarHBondContact N-O 2.87Å; C166-Y216 PolarHBondContact O-N 2.85Å; V168-Y216 HydrophobicContact CB-CE2 4.34Å; V168-Y216 HydrophobicContact CG2-CD2 3.78Å; V168-Y216 HydrophobicContact CG2-CE2 3.93Å; H177-Y216 PolarHBondContact O-OH 3.08Å; V179-Y216 HydrophobicContact CB-CD1 3.87Å; V179-Y216 HydrophobicContact CB-CD2 4.39Å; V179-Y216 HydrophobicContact CB-CE1 4.05Å; V179-Y216 HydrophobicContact CB-CG 4.03Å; V179-Y216 HydrophobicContact CG1-CD1 4.43Å; V179-Y216 HydrophobicContact CG1-CG 4.17Å; V179-Y216 HydrophobicContact CG2-CD1 3.71Å; V179-Y216 HydrophobicContact CG2-CD2 3.57Å; V179-Y216 HydrophobicContact CG2-CE1 3.56Å; V179-Y216 HydrophobicContact CG2-CE2 3.42Å; V179-Y216 VanDerWaalsContact CG2-CE2 3.42Å; V179-Y216 HydrophobicContact CG2-CG 3.69Å; V179-Y216 VanDerWaalsContact CG2-CZ 3.4Å; H196-Y216 AromaticContact CD2-CD1 3.92Å; A200-Y216 HydrophobicContact CB-CD1 4.31Å; A200-Y216 HydrophobicContact CB-CE1 3.68Å; A200-Y216 HydrophobicContact CB-CE2 4.22Å; C214-Y216 HydrophobicContact CB-CD2 4.41Å; C214-Y216 HydrophobicContact CB-CE2 3.7Å
217K83.5Confident77.2Confident72 Ų7273.9 Ų73.931%0.31339%0.386SS..EExtended strand (participates in β ladder)trans-109.6134.6-179.6-61.5179.8-179175.40110.6T163 L164 D201 L215 P219T163-K217 HydrophobicContact CG2-CB 3.6Å; T163-K217 HydrophobicContact CG2-CD 4.19Å; T163-K217 HydrophobicContact CG2-CG 4.08Å; L164-K217 WeakPolarHBondContact O-CA 3.44Å; D201-K217 WeakPolarHBondContact OD2-CB 3.38Å; D201-K217 WeakPolarHBondContact OD2-CG 3.35Å; D201-K217 PolarHBondContact OD2-N 2.61Å; L215-K217 VanDerWaalsContact CD2-CE 3.45Å; L215-K217 HydrophobicContact CG-CG 4.29Å; K217-P219 WeakPolarHBondContact O-CD 3.4Å
218L84.7Confident78.5Confident7 Ų770.1 Ų70.14%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-106.296.4167.3178.765.3000108.4T163 L164 W181 Y194 M220 Y231T163-L218 WeakPolarHBondContact CA-O 3.48Å; L164-L218 HydrophobicContact CB-CB 4.31Å; L164-L218 HydrophobicContact CD1-CD2 4.41Å; L164-L218 PolarHBondContact N-O 2.91Å; L164-L218 PolarHBondContact O-N 2.87Å; W181-L218 HydrophobicContact CB-CD2 4.01Å; W181-L218 HydrophobicContact CD2-CB 3.99Å; W181-L218 HydrophobicContact CD2-CD2 3.83Å; W181-L218 HydrophobicContact CD2-CG 4.47Å; W181-L218 HydrophobicContact CE3-CD2 3.99Å; W181-L218 HydrophobicContact CG-CB 4.29Å; W181-L218 HydrophobicContact CG-CD2 3.85Å; W181-L218 HydrophobicContact CG-CG 4.46Å; W181-L218 HydrophobicContact CZ2-CB 3.99Å; Y194-L218 HydrophobicContact CD1-CD1 3.75Å; Y194-L218 HydrophobicContact CE1-CD1 4.49Å; Y194-L218 HydrophobicContact CG-CD1 3.78Å; L218-M220 HydrophobicContact CD2-CG 4.48Å; L218-M220 HydrophobicContact CD2-SD 4.49Å; L218-M220 HydrophobicContact CG-CG 4.22Å; L218-Y231 HydrophobicContact CD2-CD1 4.12Å
219P85.3Confident79.8Confident82 Ų8263 Ų6353%0.53232%0.324SS..EExtended strand (participates in β ladder)trans-71132.7173.629.6-32.9000109.7K217K217-P219 WeakPolarHBondContact O-CD 3.4Å
220M82.3Confident81.2Confident22 Ų2260.4 Ų60.411%0.10831%0.308CS..EExtended strand (participates in β ladder)trans-128.3122.6177-62.4-178.766.600109.1S161 V162 L164 L218 I223 H227 Y231 L249S161-M220 CarbonylContact C-O 3.6Å; S161-M220 WeakPolarHBondContact CA-O 3.38Å; V162-M220 PolarHBondContact N-O 2.78Å; V162-M220 WeakPolarHBondContact O-CA 3.24Å; V162-M220 WeakPolarHBondContact O-CB 3.43Å; V162-M220 PolarHBondContact O-N 3.08Å; V162-M220 VanDerWaalsContact O-O 3.11Å; L164-M220 HydrophobicContact CD1-SD 3.97Å; L164-M220 HydrophobicContact CG-SD 4.2Å; L218-M220 HydrophobicContact CD2-CG 4.48Å; L218-M220 HydrophobicContact CD2-SD 4.49Å; L218-M220 HydrophobicContact CG-CG 4.22Å; M220-I223 HydrophobicContact CB-CD1 3.66Å; M220-I223 HydrophobicContact CE-CD1 4.04Å; M220-H227 HydrophobicContact CE-CB 4.07Å; M220-Y231 HydrophobicContact CE-CE1 3.86Å; M220-Y231 HydrophobicContact CE-CE2 4.25Å; M220-Y231 VanDerWaalsContact CE-CZ 3.47Å; M220-Y231 WeakPolarHBondContact CE-OH 3.33Å; M220-Y231 HydrophobicContact SD-CE1 3.96Å; M220-Y231 HydrophobicContact SD-CE2 4.4Å; M220-L249 HydrophobicContact CE-CD2 3.89Å; M220-L249 HydrophobicContact SD-CD2 4.15Å
221E85.4Confident82.4Confident138 Ų13852.9 Ų52.965%0.64527%0.273SS*.  trans-106.9156.9-179.4-61.8-177.5179.300111.5I223E221-I223 PolarHBondContact O-N 2.91Å
222N83.1Confident83.4Confident95 Ų9553.5 Ų53.551%0.50827%0.273SS..SBendtrans51.858.9173.6-64.7-68.5000112.2D160 K224 H227D160-N222 PolarHBondContact O-N 2.89Å; D160-N222 VanDerWaalsContact O-N 3.11Å; N222-K224 PolarHBondContact O-N 3.48Å; N222-H227 PolarHBondContact O-CE1 2.98Å; N222-H227 PolarHBondContact O-ND1 3.07Å
223I86.2Confident84Confident1 Ų151 Ų511%0.00526%0.261CS..  trans-58132.2-177-58.7-51.5000110.9A156 P158 G159 D160 V162 M220 E221 H227 L249 L251A156-I223 HydrophobicContact CB-CB 4.26Å; A156-I223 HydrophobicContact CB-CG1 4.08Å; A156-I223 HydrophobicContact CB-CG2 4.12Å; P158-I223 CarbonylContact C-O 3.54Å; P158-I223 WeakPolarHBondContact CA-O 3.45Å; G159-I223 PolarHBondContact N-O 3.26Å; D160-I223 WeakPolarHBondContact O-CG1 3.26Å; D160-I223 PolarHBondContact O-N 2.7Å; V162-I223 HydrophobicContact CG2-CG1 4.49Å; M220-I223 HydrophobicContact CB-CD1 3.66Å; M220-I223 HydrophobicContact CE-CD1 4.04Å; E221-I223 PolarHBondContact O-N 2.91Å; I223-H227 HydrophobicContact CG2-CB 4.21Å; I223-L249 HydrophobicContact CD1-CD2 4.26Å; I223-L249 HydrophobicContact CG2-CD2 4.42Å; I223-L251 HydrophobicContact CG2-CD2 3.73Å
224K83.8Confident84.1Confident129 Ų12948.7 Ų48.756%0.56125%0.247SC*.  trans-132.8169.9-179.1-71.7174-172.3177.60109.4N222 S226 H227N222-K224 PolarHBondContact O-N 3.48Å; K224-S226 PolarHBondContact O-N 2.85Å; K224-S226 VanDerWaalsContact O-N 3.1Å; K224-H227 PolarHBondContact N-ND1 2.77Å; K224-H227 VanDerWaalsContact N-ND1 3.13Å; K224-H227 WeakPolarHBondContact O-CB 3.41Å; K224-H227 PolarHBondContact O-N 3.07Å
225K82.1Confident84.1Confident182 Ų18248.5 Ų48.579%0.79125%0.245SC*.G310 helixtrans-55-31.8174.2-171174.6-176.81740112.6H227 V228 L251K225-H227 PolarHBondContact O-N 3.4Å; K225-V228 PolarHBondContact O-N 3.47Å; K225-L251 HydrophobicContact CB-CD1 4.14Å
226S79.3Confident83.7Confident75 Ų7548.1 Ų48.152%0.52425%0.247SC..G310 helixtrans-69.2-7.8174.858.70000114.3R183 K224R183-S226 PolarHBondContact NH1-O 3.31Å; R183-S226 VanDerWaalsContact NH2-C 3.33Å; R183-S226 PolarHBondContact NH2-O 3.2Å; K224-S226 PolarHBondContact O-N 2.85Å; K224-S226 VanDerWaalsContact O-N 3.1Å
227H81.4Confident83.3Confident49 Ų4948.1 Ų48.123%0.22725%0.249CC..G310 helixtrans-99.1-11.7177.5-62.2143.5000113.4R183 M220 N222 I223 K224 K225 G229 Y231 L249R183-H227 PolarHBondContact NH2-O 3.42Å; M220-H227 HydrophobicContact CE-CB 4.07Å; N222-H227 PolarHBondContact O-CE1 2.98Å; N222-H227 PolarHBondContact O-ND1 3.07Å; I223-H227 HydrophobicContact CG2-CB 4.21Å; K224-H227 PolarHBondContact N-ND1 2.77Å; K224-H227 VanDerWaalsContact N-ND1 3.13Å; K224-H227 WeakPolarHBondContact O-CB 3.41Å; K224-H227 PolarHBondContact O-N 3.07Å; K225-H227 PolarHBondContact O-N 3.4Å; H227-G229 PolarHBondContact O-N 3.49Å; H227-Y231 WeakPolarHBondContact O-CE2 3.3Å; H227-Y231 PolarHBondContact O-OH 3.49Å; H227-L249 HydrophobicContact CB-CD2 4.42Å
228V84.7Confident82.7Confident43 Ų4348.9 Ų48.926%0.26126%0.262SS..  trans-60.5133177.1176.10000111R183 K225 L251R183-V228 PolarHBondContact NH2-O 2.94Å; K225-V228 PolarHBondContact O-N 3.47Å; V228-L251 HydrophobicContact CG2-CB 4.36Å; V228-L251 HydrophobicContact CG2-CD1 3.94Å; V228-L251 HydrophobicContact CG2-CG 3.71Å
229G85.9Confident81.6Confident6 Ų652.2 Ų52.26%0.06230%0.298CS..EExtended strand (participates in β ladder)trans160.4-176.7-179.100000112.8K184 H227 L249K184-G229 CarbonylContact O-C 3.56Å; K184-G229 VanDerWaalsContact O-CA 3.3Å; K184-G229 WeakPolarHBondContact O-CA 3.46Å; H227-G229 PolarHBondContact O-N 3.49Å; G229-L249 PolarHBondContact N-O 2.93Å; G229-L249 PolarHBondContact O-N 3.28Å
230T87Confident80.7Confident32 Ų3251 Ų5120%0.19628%0.283CS..EExtended strand (participates in β ladder)trans-103.7125.4175.7-51.30000110R183 K184 Y232 T247R183-T230 WeakPolarHBondContact CA-O 3.48Å; K184-T230 PolarHBondContact N-O 2.93Å; K184-T230 PolarHBondContact O-N 2.89Å; T230-Y232 HydrophobicContact CG2-CD2 4.34Å; T230-Y232 HydrophobicContact CG2-CE1 4.07Å; T230-Y232 HydrophobicContact CG2-CE2 3.68Å; T230-T247 CarbonylContact C-O 3.51Å; T230-T247 WeakPolarHBondContact CA-O 3.34Å
231Y85.9Confident80.4Confident1 Ų152.4 Ų52.40%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-104.8116.9-178.6-68.1-99.4000110Q150 L164 F182 R183 L218 M220 H227 G246 T247 L249Q150-Y231 PolarHBondContact NE2-O 2.88Å; L164-Y231 VanDerWaalsContact CD1-CB 3.46Å; L164-Y231 HydrophobicContact CD1-CD1 3.96Å; L164-Y231 HydrophobicContact CD1-CD2 3.71Å; L164-Y231 HydrophobicContact CD1-CE2 4.46Å; L164-Y231 HydrophobicContact CD1-CG 3.43Å; L164-Y231 VanDerWaalsContact CD1-CG 3.43Å; F182-Y231 CarbonylContact O-C 3.54Å; F182-Y231 WeakPolarHBondContact O-CA 3.34Å; R183-Y231 HydrophobicContact CB-CD1 3.94Å; R183-Y231 HydrophobicContact CB-CE1 3.85Å; R183-Y231 VanDerWaalsContact CD-CZ 3.49Å; R183-Y231 VanDerWaalsContact CD-OH 3.26Å; R183-Y231 WeakPolarHBondContact CD-OH 3.4Å; R183-Y231 HydrophobicContact CG-CD1 4.03Å; R183-Y231 HydrophobicContact CG-CE1 3.65Å; R183-Y231 HydrophobicContact CG-CE2 4.17Å; R183-Y231 HydrophobicContact CG-CG 4.45Å; R183-Y231 PolarHBondContact NE-OH 3.3Å; R183-Y231 VanDerWaalsContact NE-OH 3.09Å; L218-Y231 HydrophobicContact CD2-CD1 4.12Å; M220-Y231 HydrophobicContact CE-CE1 3.86Å; M220-Y231 HydrophobicContact CE-CE2 4.25Å; M220-Y231 VanDerWaalsContact CE-CZ 3.47Å; M220-Y231 WeakPolarHBondContact CE-OH 3.33Å; M220-Y231 HydrophobicContact SD-CE1 3.96Å; M220-Y231 HydrophobicContact SD-CE2 4.4Å; H227-Y231 WeakPolarHBondContact O-CE2 3.3Å; H227-Y231 PolarHBondContact O-OH 3.49Å; Y231-G246 CarbonylContact O-C 3.5Å; Y231-G246 VanDerWaalsContact O-CA 3.25Å; Y231-G246 WeakPolarHBondContact O-CA 3.43Å; Y231-T247 PolarHBondContact N-O 3.4Å; Y231-T247 PolarHBondContact O-N 3.13Å; Y231-L249 HydrophobicContact CD2-CB 4.09Å; Y231-L249 HydrophobicContact CE2-CB 3.82Å; Y231-L249 HydrophobicContact CE2-CD2 3.97Å
232Y86.3Confident80Confident40 Ų4047.4 Ų47.416%0.15727%0.268CS..EExtended strand (participates in β ladder)trans-100.9126.8179.1-60.6-86.8000109.6F35 W181 F182 K184 T230F35-Y232 HydrophobicContact CZ-CE2 4.2Å; W181-Y232 WeakPolarHBondContact CA-O 3.26Å; F182-Y232 PolarHBondContact N-O 3.22Å; F182-Y232 PolarHBondContact O-N 2.93Å; K184-Y232 HydrophobicContact CB-CD2 4.42Å; K184-Y232 HydrophobicContact CB-CE2 3.76Å; K184-Y232 HydrophobicContact CD-CE2 4.08Å; T230-Y232 HydrophobicContact CG2-CD2 4.34Å; T230-Y232 HydrophobicContact CG2-CE1 4.07Å; T230-Y232 HydrophobicContact CG2-CE2 3.68Å
233C86.8Confident80Confident0 Ų044.9 Ų44.90%025%0.252CS..EExtended strand (participates in β ladder)trans-85.7132.8167.1-179.80000108.5V148 Q150 C166 V179 Y180 W181 F243 G244V148-C233 HydrophobicContact CG1-CB 4.3Å; Q150-C233 HydrophobicContact CG-CB 4.09Å; Q150-C233 VanDerWaalsContact OE1-N 3.09Å; C166-C233 HydrophobicContact CB-CB 3.56Å; C166-C233 WeakPolarHBondContact CB-SG 3.13Å; C166-C233 WeakPolarHBondContact SG-CB 3.35Å; C166-C233 CovalentContact SG-SG 2.03Å; C166-C233 PolarHBondContact SG-SG 2.91Å; V179-C233 WeakPolarHBondContact CG1-SG 3.17Å; Y180-C233 CarbonylContact O-C 3.59Å; W181-C233 HydrophobicContact CD2-CB 4.39Å; W181-C233 HydrophobicContact CE3-CB 4.2Å; W181-C233 HydrophobicContact CH2-CB 4.05Å; W181-C233 HydrophobicContact CZ2-CB 4.21Å; W181-C233 HydrophobicContact CZ3-CB 4.04Å; C233-F243 WeakPolarHBondContact O-CA 3.45Å; C233-G244 PolarHBondContact O-N 3.41Å
234A83.3Confident79.9Confident0 Ų045 Ų450%025%0.254CS..EExtended strand (participates in β ladder)trans-127.7128.9175.700000109.5V179 Y180 F182 I241 D242 F243V179-A234 CarbonylContact C-O 3.58Å; V179-A234 WeakPolarHBondContact CA-O 3.09Å; Y180-A234 PolarHBondContact N-O 3.46Å; Y180-A234 PolarHBondContact O-N 3.3Å; F182-A234 HydrophobicContact CD2-CB 3.92Å; F182-A234 HydrophobicContact CE2-CB 3.67Å; A234-I241 HydrophobicContact CB-CG2 3.95Å; A234-D242 CarbonylContact C-O 3.6Å; A234-D242 VanDerWaalsContact CA-O 3.3Å; A234-D242 WeakPolarHBondContact CA-O 3.43Å; A234-F243 HydrophobicContact CB-CD1 3.82Å; A234-F243 HydrophobicContact CB-CD2 4.18Å; A234-F243 HydrophobicContact CB-CE1 3.58Å; A234-F243 HydrophobicContact CB-CE2 3.92Å; A234-F243 HydrophobicContact CB-CG 4.12Å; A234-F243 HydrophobicContact CB-CZ 3.62Å
235V81.4Confident79.8Confident0 Ų045.9 Ų45.90%027%0.265CS..EExtended strand (participates in β ladder)trans-114121.8-175.7177.80000108.5V148 V168 H177 R178 V179 I241 D242V148-V235 HydrophobicContact CG1-CG2 4.48Å; V148-V235 HydrophobicContact CG2-CB 4.3Å; V148-V235 HydrophobicContact CG2-CG2 3.92Å; V168-V235 HydrophobicContact CB-CG2 4.26Å; V168-V235 HydrophobicContact CG1-CB 4.26Å; V168-V235 HydrophobicContact CG1-CG1 3.83Å; V168-V235 HydrophobicContact CG1-CG2 3.82Å; V168-V235 HydrophobicContact CG2-CG2 3.38Å; H177-V235 HydrophobicContact CB-CG1 4.4Å; R178-V235 CarbonylContact O-C 3.42Å; R178-V235 WeakPolarHBondContact O-CA 3.49Å; V179-V235 HydrophobicContact CG2-CB 4.43Å; V179-V235 HydrophobicContact CG2-CG1 4.35Å; V179-V235 HydrophobicContact CG2-CG2 3.75Å; V235-I241 VanDerWaalsContact O-CA 3.31Å; V235-I241 WeakPolarHBondContact O-CA 3.41Å; V235-D242 PolarHBondContact N-O 3.38Å; V235-D242 PolarHBondContact O-N 3.23Å
236A77.1Confident80Confident27 Ų2737.5 Ų37.522%0.22323%0.23CC..EExtended strand (participates in β ladder)trans-89.9113.7168.400000109.7R178 Y180 R240 I241R178-A236 HydrophobicContact CB-CB 4.39Å; R178-A236 PolarHBondContact N-O 3.03Å; R178-A236 VanDerWaalsContact N-O 3.14Å; R178-A236 PolarHBondContact O-N 2.88Å; Y180-A236 HydrophobicContact CE2-CB 3.93Å; A236-R240 VanDerWaalsContact CA-O 3.26Å; A236-R240 WeakPolarHBondContact CA-O 3.5Å; A236-I241 HydrophobicContact CB-CG1 4.16Å
237S74.2Confident80.4Confident10 Ų1034 Ų347%0.0721%0.205CC..EExtended strand (participates in β ladder)trans-142.1145.1173.9-177.70000109.7H177 G239 R240H177-S237 WeakPolarHBondContact CD2-CB 3.2Å; H177-S237 PolarHBondContact CD2-OG 2.99Å; H177-S237 PolarHBondContact NE2-OG 3.05Å; S237-G239 PolarHBondContact O-N 3.37Å; S237-R240 PolarHBondContact N-O 3.48Å; S237-R240 PolarHBondContact O-N 3.34Å
238C70.7Confident80.8Confident87 Ų8736.4 Ų36.459%0.58822%0.215SC*.THydrogen-bonded Turntrans51.433.7175.1-85.10000115C173 R240C173-C238 HydrophobicContact CB-CB 4.24Å; C173-C238 WeakPolarHBondContact CB-SG 3.28Å; C173-C238 WeakPolarHBondContact SG-CB 3.43Å; C173-C238 CovalentContact SG-SG 2.03Å; C173-C238 PolarHBondContact SG-SG 3.47Å; C238-R240 VanDerWaalsContact C-N 3.26Å; C238-R240 PolarHBondContact O-N 3.04Å
239G61.8Low80.9Confident77 Ų7734.4 Ų34.479%0.79420%0.203SC*.THydrogen-bonded Turntrans74.59.9-179.300000115S237S237-G239 PolarHBondContact O-N 3.37Å
240R67.1Low81.1Confident58 Ų5838.4 Ų38.422%0.21922%0.22CC..EExtended strand (participates in β ladder)trans-118.9160.7178.5-65.7178.6170.6171.1-5.5110.7D139 A141 V142 A236 S237 C238D139-R240 IonicContact OD1-NH2 3.87Å; D139-R240 IonicContact OD2-CZ 3.21Å; D139-R240 IonicContact OD2-NE 2.98Å; D139-R240 PolarHBondContact OD2-NE 2.96Å; D139-R240 IonicContact OD2-NH2 2.74Å; D139-R240 PolarHBondContact OD2-NH2 3.47Å; A141-R240 PolarHBondContact O-NH2 2.91Å; V142-R240 PolarHBondContact O-NH1 3.2Å; A236-R240 VanDerWaalsContact CA-O 3.26Å; A236-R240 WeakPolarHBondContact CA-O 3.5Å; S237-R240 PolarHBondContact N-O 3.48Å; S237-R240 PolarHBondContact O-N 3.34Å; C238-R240 VanDerWaalsContact C-N 3.26Å; C238-R240 PolarHBondContact O-N 3.04Å
241I74.3Confident81Confident51 Ų5139.2 Ų39.226%0.26222%0.223SC..EExtended strand (participates in β ladder)trans-123.5115.5174.3-59.6166.6000109.2T114 A234 V235 A236 F243T114-I241 HydrophobicContact CG2-CD1 4.01Å; A234-I241 HydrophobicContact CB-CG2 3.95Å; V235-I241 VanDerWaalsContact O-CA 3.31Å; V235-I241 WeakPolarHBondContact O-CA 3.41Å; A236-I241 HydrophobicContact CB-CG1 4.16Å; I241-F243 HydrophobicContact CB-CE2 4.42Å; I241-F243 HydrophobicContact CG2-CD2 3.95Å; I241-F243 HydrophobicContact CG2-CE2 3.42Å; I241-F243 VanDerWaalsContact CG2-CE2 3.42Å; I241-F243 HydrophobicContact CG2-CZ 4.21Å
242D78.1Confident80.8Confident32 Ų3242.9 Ų42.917%0.17124%0.24CC..EExtended strand (participates in β ladder)trans-102.8132.3177.2-65.4-44.5000110.2A146 V148 A234 V235A146-D242 HydrophobicContact CB-CB 4.49Å; A146-D242 WeakPolarHBondContact CB-OD2 3.42Å; A146-D242 PolarHBondContact N-OD2 2.79Å; V148-D242 HydrophobicContact CG2-CB 4.03Å; A234-D242 CarbonylContact C-O 3.6Å; A234-D242 VanDerWaalsContact CA-O 3.3Å; A234-D242 WeakPolarHBondContact CA-O 3.43Å; V235-D242 PolarHBondContact N-O 3.38Å; V235-D242 PolarHBondContact O-N 3.23Å
243F82.4Confident79.9Confident42 Ų4245.7 Ų45.718%0.18427%0.266CS..EExtended strand (participates in β ladder)trans-105.1134-179.1-80.6-104.4000110.8L37 V136 F182 C233 A234 I241L37-F243 HydrophobicContact CD2-CD2 4.47Å; V136-F243 HydrophobicContact CB-CE2 4.24Å; V136-F243 HydrophobicContact CB-CZ 4.46Å; V136-F243 HydrophobicContact CG1-CD2 3.98Å; V136-F243 HydrophobicContact CG1-CE2 3.3Å; V136-F243 HydrophobicContact CG1-CZ 3.97Å; V136-F243 HydrophobicContact CG2-CE2 4.02Å; V136-F243 HydrophobicContact CG2-CZ 3.78Å; F182-F243 AromaticContact CD2-CE1 3.81Å; F182-F243 HydrophobicContact CD2-CE1 3.81Å; F182-F243 HydrophobicContact CD2-CZ 4.28Å; F182-F243 HydrophobicContact CE2-CE1 4.07Å; F182-F243 HydrophobicContact CE2-CZ 4.06Å; C233-F243 WeakPolarHBondContact O-CA 3.45Å; A234-F243 HydrophobicContact CB-CD1 3.82Å; A234-F243 HydrophobicContact CB-CD2 4.18Å; A234-F243 HydrophobicContact CB-CE1 3.58Å; A234-F243 HydrophobicContact CB-CE2 3.92Å; A234-F243 HydrophobicContact CB-CG 4.12Å; A234-F243 HydrophobicContact CB-CZ 3.62Å; I241-F243 HydrophobicContact CB-CE2 4.42Å; I241-F243 HydrophobicContact CG2-CD2 3.95Å; I241-F243 HydrophobicContact CG2-CE2 3.42Å; I241-F243 VanDerWaalsContact CG2-CE2 3.42Å; I241-F243 HydrophobicContact CG2-CZ 4.21Å
244G83.6Confident78.6Confident4 Ų452.9 Ų52.94%0.04130%0.299CS..  trans-70.5164.1165.300000112.1Q150 C233 G246Q150-G244 VanDerWaalsContact OE1-C 3.23Å; Q150-G244 VanDerWaalsContact OE1-CA 3.28Å; C233-G244 PolarHBondContact O-N 3.41Å; G244-G246 PolarHBondContact O-N 2.94Å; G244-G246 VanDerWaalsContact O-N 3.1Å
245N83.5Confident77.4Confident147 Ų14755.6 Ų55.679%0.78632%0.322SS*.  trans-66.8-11.1-177.3-71.3-23.6000114.3
246G85.8Confident76.2Confident6 Ų661.6 Ų61.66%0.06236%0.358CS..  trans86.3143.4-179.300000113.5Q150 Y231 G244Q150-G246 VanDerWaalsContact OE1-CA 3.31Å; Y231-G246 CarbonylContact O-C 3.5Å; Y231-G246 VanDerWaalsContact O-CA 3.25Å; Y231-G246 WeakPolarHBondContact O-CA 3.43Å; G244-G246 PolarHBondContact O-N 2.94Å; G244-G246 VanDerWaalsContact O-N 3.1Å
247T88.1Confident75.4Confident1 Ų163.2 Ų63.21%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-108.2119.8175.9-53.80000109.5Q150 A151 E154 L164 T230 Y231 L249Q150-T247 PolarHBondContact NE2-OG1 3.3Å; A151-T247 HydrophobicContact CB-CG2 4.36Å; A151-T247 VanDerWaalsContact O-CA 3.24Å; A151-T247 WeakPolarHBondContact O-CA 3.41Å; A151-T247 VanDerWaalsContact O-CB 3.24Å; A151-T247 WeakPolarHBondContact O-CB 3.43Å; A151-T247 WeakPolarHBondContact O-CG2 3.32Å; A151-T247 PolarHBondContact O-OG1 3Å; E154-T247 HydrophobicContact CB-CG2 4.15Å; E154-T247 HydrophobicContact CG-CG2 3.78Å; L164-T247 HydrophobicContact CD2-CG2 3.95Å; T230-T247 CarbonylContact C-O 3.51Å; T230-T247 WeakPolarHBondContact CA-O 3.34Å; Y231-T247 PolarHBondContact N-O 3.4Å; Y231-T247 PolarHBondContact O-N 3.13Å; T247-L249 PolarHBondContact O-N 3.03Å
248K89.4Confident75Confident101 Ų10169.2 Ų69.244%0.43940%0.398SS..EExtended strand (participates in β ladder)trans-83112.6177.2-167.9-174.9-174.7-1610109.9A152 S153 E154 E250A152-K248 PolarHBondContact O-N 2.88Å; S153-K248 CarbonylContact C-O 3.57Å; S153-K248 VanDerWaalsContact CA-O 3.26Å; S153-K248 WeakPolarHBondContact CA-O 3.11Å; E154-K248 PolarHBondContact N-O 3.12Å; K248-E250 HydrophobicContact CD-CG 4.23Å; K248-E250 WeakPolarHBondContact CE-OE1 3.34Å; K248-E250 HydrophobicContact CG-CG 4.12Å; K248-E250 IonicContact NZ-OE1 3.08Å; K248-E250 PolarHBondContact NZ-OE1 3.47Å
249L87.3Confident74.9Confident1 Ų169.3 Ų69.31%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-91.5116.7174.3-176.466.4000109.9E154 A156 V162 M220 I223 H227 G229 Y231 T247E154-L249 HydrophobicContact CB-CD1 4.04Å; E154-L249 WeakPolarHBondContact O-CA 3.32Å; A156-L249 HydrophobicContact CB-CD1 4.36Å; V162-L249 HydrophobicContact CG1-CD1 4.38Å; M220-L249 HydrophobicContact CE-CD2 3.89Å; M220-L249 HydrophobicContact SD-CD2 4.15Å; I223-L249 HydrophobicContact CD1-CD2 4.26Å; I223-L249 HydrophobicContact CG2-CD2 4.42Å; H227-L249 HydrophobicContact CB-CD2 4.42Å; G229-L249 PolarHBondContact N-O 2.93Å; G229-L249 PolarHBondContact O-N 3.28Å; Y231-L249 HydrophobicContact CD2-CB 4.09Å; Y231-L249 HydrophobicContact CE2-CB 3.82Å; Y231-L249 HydrophobicContact CE2-CD2 3.97Å; T247-L249 PolarHBondContact O-N 3.03Å
250E88.7Confident75.3Confident90 Ų9070.7 Ų70.742%0.42139%0.385SS..EExtended strand (participates in β ladder)trans-114.8149.3176.7-61.7-166.2140.600111.4E154 S155 A156 K248E154-E250 PolarHBondContact O-N 3.06Å; S155-E250 WeakPolarHBondContact CA-O 3.42Å; A156-E250 PolarHBondContact N-O 3.02Å; K248-E250 HydrophobicContact CD-CG 4.23Å; K248-E250 WeakPolarHBondContact CE-OE1 3.34Å; K248-E250 HydrophobicContact CG-CG 4.12Å; K248-E250 IonicContact NZ-OE1 3.08Å; K248-E250 PolarHBondContact NZ-OE1 3.47Å
251L85.3Confident75.7Confident48 Ų4871.3 Ų71.325%0.25140%0.395SS..EExtended strand (participates in β ladder)trans-82.3129.5168.7-77.3175.3000108.8A156 P158 I223 K225 V228 S253A156-L251 CarbonylContact O-C 3.58Å; A156-L251 VanDerWaalsContact O-CA 3.3Å; A156-L251 WeakPolarHBondContact O-CA 3.5Å; A156-L251 WeakPolarHBondContact O-CD2 3.26Å; P158-L251 HydrophobicContact CG-CD2 4.17Å; I223-L251 HydrophobicContact CG2-CD2 3.73Å; K225-L251 HydrophobicContact CB-CD1 4.14Å; V228-L251 HydrophobicContact CG2-CB 4.36Å; V228-L251 HydrophobicContact CG2-CD1 3.94Å; V228-L251 HydrophobicContact CG2-CG 3.71Å; L251-S253 PolarHBondContact O-N 2.93Å
252E82.9Confident76Confident79 Ų7977.8 Ų77.837%0.36942%0.417SS..  trans-59.4115.3166.2-68-170.1166.700108.1S155 A156 R157 E254S155-E252 PolarHBondContact OG-OE1 2.93Å; A156-E252 PolarHBondContact O-N 3.3Å; R157-E252 HydrophobicContact CG-CB 4.22Å; R157-E252 WeakPolarHBondContact CG-OE2 3.19Å; R157-E252 IonicContact CZ-OE2 2.87Å; R157-E252 IonicContact NE-OE2 3.7Å; R157-E252 PolarHBondContact NE-OE2 2.84Å; R157-E252 VanDerWaalsContact NE-OE2 3.08Å; R157-E252 IonicContact NH2-OE2 2.87Å; E252-E254 PolarHBondContact O-N 3.38Å
253S65.4Low76.2Confident99 Ų9983.1 Ų83.169%0.69244%0.439SS*.  trans-72.4129.5171.273.80000108.4L251 A255L251-S253 PolarHBondContact O-N 2.93Å; S253-A255 PolarHBondContact O-N 2.86Å
254E59.8Low76.3Confident151 Ų15185.9 Ų85.971%0.70646%0.455SS*.  trans-70.956.2167.1-65.3-173.7174.200110.8E252 V256 S257E252-E254 PolarHBondContact O-N 3.38Å; E254-V256 PolarHBondContact O-N 3.03Å; E254-V256 VanDerWaalsContact O-N 3.07Å; E254-S257 PolarHBondContact O-N 3.38Å
255A57.9Low76.4Confident56 Ų5688.7 Ų88.746%0.46347%0.474SS..Hα-helixtrans-60.7-16173.700000112.2S253 S257S253-A255 PolarHBondContact O-N 2.86Å; A255-S257 PolarHBondContact O-N 2.88Å
256V56.5Low76.6Confident127 Ų12784.1 Ų84.177%0.7746%0.456SS*.Hα-helixtrans-68-18.3178.4-170.10000112.5E254E254-V256 PolarHBondContact O-N 3.03Å; E254-V256 VanDerWaalsContact O-N 3.07Å
257S61.2Low76.8Confident61 Ų6186.3 Ų86.343%0.42747%0.473SS..Hα-helixtrans-88-39.9179.9-165.50000113.4E254 A255 V259 L260 V261E254-S257 PolarHBondContact O-N 3.38Å; A255-S257 PolarHBondContact O-N 2.88Å; S257-V259 PolarHBondContact O-N 3Å; S257-L260 PolarHBondContact O-N 3.46Å; S257-V261 WeakPolarHBondContact O-CB 3.38Å; S257-V261 WeakPolarHBondContact O-CG2 3.47Å; S257-V261 PolarHBondContact O-N 2.9Å
258L65.1Low76.9Confident136 Ų13691.5 Ų91.571%0.71250%0.501SS*.Hα-helixtrans-66.9-41.4-174.8-84.9161000113.3V261 Y262L258-V261 PolarHBondContact O-N 3.37Å; L258-Y262 WeakPolarHBondContact O-CB 3.24Å; L258-Y262 PolarHBondContact O-N 3.41Å
259V69.5Low77Confident88 Ų8891.5 Ų91.553%0.53350%0.504SS..Hα-helixtrans-66.8-44.9178.91770000110.3S257 Y262 F263S257-V259 PolarHBondContact O-N 3Å; V259-Y262 WeakPolarHBondContact O-CB 3.45Å; V259-Y262 PolarHBondContact O-N 3.5Å; V259-F263 HydrophobicContact CG1-CD2 3.66Å; V259-F263 HydrophobicContact CG1-CE2 3.49Å; V259-F263 VanDerWaalsContact CG1-CE2 3.49Å; V259-F263 WeakPolarHBondContact O-CD2 3.33Å; V259-F263 PolarHBondContact O-N 3.37Å
260L68.6Low77.2Confident107 Ų10797.4 Ų97.456%0.5653%0.53SS*.Hα-helixtrans-62.7-43.5177.2-175.666.4000111.7S257 Y262 F263 L264S257-L260 PolarHBondContact O-N 3.46Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-Y262 PolarHBondContact O-N 3.36Å; L260-F263 PolarHBondContact O-N 3.47Å; L260-L264 HydrophobicContact CG-CD1 4.21Å; L260-L264 WeakPolarHBondContact O-CB 3Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 2.95Å
261V76.4Confident77.2Confident71 Ų7196.1 Ų96.143%0.4353%0.529SS..Hα-helixtrans-60.4-43.2174.7170.40000110.6S257 L258 F263 L264 C265S257-V261 WeakPolarHBondContact O-CB 3.38Å; S257-V261 WeakPolarHBondContact O-CG2 3.47Å; S257-V261 PolarHBondContact O-N 2.9Å; L258-V261 PolarHBondContact O-N 3.37Å; V261-F263 PolarHBondContact O-N 2.99Å; V261-L264 PolarHBondContact O-N 3.48Å; V261-C265 WeakPolarHBondContact O-CB 3.36Å; V261-C265 PolarHBondContact O-N 3.06Å; V261-C265 PolarHBondContact O-SG 3.22Å
262Y80.8Confident77.5Confident187 Ų18798.9 Ų98.973%0.73354%0.542SS*.Hα-helixtrans-62.9-42.9177.2-154.5-90.1000112.3L258 V259 L260 C265 A266L258-Y262 WeakPolarHBondContact O-CB 3.24Å; L258-Y262 PolarHBondContact O-N 3.41Å; V259-Y262 WeakPolarHBondContact O-CB 3.45Å; V259-Y262 PolarHBondContact O-N 3.5Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-Y262 PolarHBondContact O-N 3.36Å; Y262-C265 PolarHBondContact O-N 3.26Å; Y262-A266 WeakPolarHBondContact O-CB 3.42Å; Y262-A266 PolarHBondContact O-N 2.93Å
263F82.8Confident77.8Confident144 Ų14499.3 Ų99.363%0.63255%0.546SS*.Hα-helixtrans-61.9-43.9174.6-86.3-70000112.3V259 L260 V261 A266 A267V259-F263 HydrophobicContact CG1-CD2 3.66Å; V259-F263 HydrophobicContact CG1-CE2 3.49Å; V259-F263 VanDerWaalsContact CG1-CE2 3.49Å; V259-F263 WeakPolarHBondContact O-CD2 3.33Å; V259-F263 PolarHBondContact O-N 3.37Å; L260-F263 PolarHBondContact O-N 3.47Å; V261-F263 PolarHBondContact O-N 2.99Å; F263-A266 PolarHBondContact O-N 3.39Å; F263-A267 WeakPolarHBondContact O-CB 3.45Å; F263-A267 PolarHBondContact O-N 3.28Å
264L83.5Confident79.1Confident99 Ų9998.1 Ų98.152%0.51853%0.532SS..Hα-helixtrans-65.5-41177.4-69.3172.7000111.6L260 V261 A267 L268L260-L264 HydrophobicContact CG-CD1 4.21Å; L260-L264 WeakPolarHBondContact O-CB 3Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 2.95Å; V261-L264 PolarHBondContact O-N 3.48Å; L264-A267 PolarHBondContact O-N 2.92Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.03Å
265C86.3Confident80.5Confident64 Ų6495.9 Ų95.943%0.43253%0.525SS..Hα-helixtrans-62.1-45.6174.6-71.40000112V261 Y262 A267 L268 I269V261-C265 WeakPolarHBondContact O-CB 3.36Å; V261-C265 PolarHBondContact O-N 3.06Å; V261-C265 PolarHBondContact O-SG 3.22Å; Y262-C265 PolarHBondContact O-N 3.26Å; C265-A267 VanDerWaalsContact C-N 3.34Å; C265-A267 PolarHBondContact O-N 3.31Å; C265-L268 PolarHBondContact O-N 2.75Å; C265-I269 WeakPolarHBondContact O-CG1 3.43Å; C265-I269 PolarHBondContact O-N 3.25Å
266A88.1Confident82.1Confident50 Ų5097.1 Ų97.141%0.41353%0.527SS..Hα-helixtrans-62.5-41.3177.200000112Y262 F263 I269 F270Y262-A266 WeakPolarHBondContact O-CB 3.42Å; Y262-A266 PolarHBondContact O-N 2.93Å; F263-A266 PolarHBondContact O-N 3.39Å; A266-I269 PolarHBondContact O-N 3.23Å; A266-F270 WeakPolarHBondContact O-CB 3.37Å; A266-F270 PolarHBondContact O-N 2.98Å
267A89.6Confident83.7Confident52 Ų5295.6 Ų95.643%0.4351%0.513SS..Hα-helixtrans-62.6-41.9176.200000112.1F263 L264 C265 F270 T271F263-A267 WeakPolarHBondContact O-CB 3.45Å; F263-A267 PolarHBondContact O-N 3.28Å; L264-A267 PolarHBondContact O-N 2.92Å; C265-A267 VanDerWaalsContact C-N 3.34Å; C265-A267 PolarHBondContact O-N 3.31Å; A267-F270 PolarHBondContact O-N 3Å; A267-T271 WeakPolarHBondContact O-CG2 3.34Å; A267-T271 PolarHBondContact O-N 3.02Å; A267-T271 PolarHBondContact O-OG1 3.21Å
268L89.9Confident85Confident111 Ų11197.2 Ų97.258%0.58152%0.517SS*.Hα-helixtrans-65-41.5176.5-72.4171000112.5L264 C265 F270 T271 I272L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.03Å; C265-L268 PolarHBondContact O-N 2.75Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 2.87Å; L268-T271 PolarHBondContact O-N 2.92Å; L268-T271 PolarHBondContact O-OG1 3.47Å; L268-I272 WeakPolarHBondContact O-CD1 3.32Å; L268-I272 VanDerWaalsContact O-CG1 3.24Å; L268-I272 WeakPolarHBondContact O-CG1 3.49Å; L268-I272 PolarHBondContact O-N 3.48Å
269I91.9Very high86.2Confident100 Ų10093.5 Ų93.551%0.51351%0.506SS..Hα-helixtrans-62.2-43.7176-67.5165.1000110.2C265 A266 T271 I272 I273C265-I269 WeakPolarHBondContact O-CG1 3.43Å; C265-I269 PolarHBondContact O-N 3.25Å; A266-I269 PolarHBondContact O-N 3.23Å; I269-T271 PolarHBondContact O-N 3.21Å; I269-I272 PolarHBondContact O-N 3.19Å; I269-I273 HydrophobicContact CG2-CD1 3.9Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 3.03Å
270F90.7Very high87.1Confident126 Ų12692.4 Ų92.455%0.55350%0.499SS*.Hα-helixtrans-62.8-43.4179-177.5-105.2000112.4A266 A267 L268 I272 I273 L274A266-F270 WeakPolarHBondContact O-CB 3.37Å; A266-F270 PolarHBondContact O-N 2.98Å; A267-F270 PolarHBondContact O-N 3Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 2.87Å; F270-I272 PolarHBondContact O-N 3.39Å; F270-I273 PolarHBondContact O-N 3.4Å; F270-L274 HydrophobicContact CD1-CD1 3.86Å; F270-L274 HydrophobicContact CD1-CG 4.39Å; F270-L274 HydrophobicContact CE1-CD1 3.37Å; F270-L274 HydrophobicContact CE1-CG 4.06Å; F270-L274 HydrophobicContact CZ-CD1 3.83Å; F270-L274 HydrophobicContact CZ-CD2 4.27Å; F270-L274 HydrophobicContact CZ-CG 4.14Å; F270-L274 WeakPolarHBondContact O-CG 3.5Å; F270-L274 PolarHBondContact O-N 2.98Å
271T89.8Confident88.1Confident63 Ų6394.6 Ų94.639%0.38750%0.504SS..Hα-helixtrans-65.7-37.5177.457.30000112.1A267 L268 I269 L274 N275A267-T271 WeakPolarHBondContact O-CG2 3.34Å; A267-T271 PolarHBondContact O-N 3.02Å; A267-T271 PolarHBondContact O-OG1 3.21Å; L268-T271 PolarHBondContact O-N 2.92Å; L268-T271 PolarHBondContact O-OG1 3.47Å; I269-T271 PolarHBondContact O-N 3.21Å; T271-L274 PolarHBondContact O-N 3.11Å; T271-N275 WeakPolarHBondContact O-CB 3.47Å; T271-N275 PolarHBondContact O-N 3.34Å; T271-N275 PolarHBondContact O-ND2 2.85Å
272I90.3Very high88.5Confident105 Ų10596.8 Ų96.854%0.53851%0.513SS..Hα-helixtrans-62.4-46.6174.4-68165000110.4L268 I269 F270 L274 N275 V276L268-I272 WeakPolarHBondContact O-CD1 3.32Å; L268-I272 VanDerWaalsContact O-CG1 3.24Å; L268-I272 WeakPolarHBondContact O-CG1 3.49Å; L268-I272 PolarHBondContact O-N 3.48Å; I269-I272 PolarHBondContact O-N 3.19Å; F270-I272 PolarHBondContact O-N 3.39Å; I272-L274 VanDerWaalsContact C-N 3.33Å; I272-L274 PolarHBondContact O-N 3.37Å; I272-N275 PolarHBondContact O-N 2.97Å; I272-V276 HydrophobicContact CG2-CG2 4.42Å; I272-V276 WeakPolarHBondContact O-CG2 3.49Å; I272-V276 PolarHBondContact O-N 3.42Å
273I90.5Very high88.6Confident88 Ų8895.1 Ų95.145%0.45151%0.506SS..Hα-helixtrans-58.6-46177.6-68.5166.2000110.6I269 F270 N275 V276 L277I269-I273 HydrophobicContact CG2-CD1 3.9Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 3.03Å; F270-I273 PolarHBondContact O-N 3.4Å; I273-N275 PolarHBondContact O-N 3.44Å; I273-V276 PolarHBondContact O-N 3.45Å; I273-L277 HydrophobicContact CG2-CD1 3.9Å; I273-L277 HydrophobicContact CG2-CG 4.32Å; I273-L277 WeakPolarHBondContact O-CB 3.28Å; I273-L277 VanDerWaalsContact O-CG 3.28Å; I273-L277 WeakPolarHBondContact O-CG 3.44Å; I273-L277 PolarHBondContact O-N 3.33Å
274L91.4Very high88.5Confident74 Ų7495.3 Ų95.339%0.38751%0.507SS..Hα-helixtrans-60.4-44.1177.6-72.6179.9000112.2F270 T271 I272 L277 L278F270-L274 HydrophobicContact CD1-CD1 3.86Å; F270-L274 HydrophobicContact CD1-CG 4.39Å; F270-L274 HydrophobicContact CE1-CD1 3.37Å; F270-L274 HydrophobicContact CE1-CG 4.06Å; F270-L274 HydrophobicContact CZ-CD1 3.83Å; F270-L274 HydrophobicContact CZ-CD2 4.27Å; F270-L274 HydrophobicContact CZ-CG 4.14Å; F270-L274 WeakPolarHBondContact O-CG 3.5Å; F270-L274 PolarHBondContact O-N 2.98Å; T271-L274 PolarHBondContact O-N 3.11Å; I272-L274 VanDerWaalsContact C-N 3.33Å; I272-L274 PolarHBondContact O-N 3.37Å; L274-L277 PolarHBondContact O-N 2.88Å; L274-L278 WeakPolarHBondContact O-CB 3.31Å; L274-L278 WeakPolarHBondContact O-CD1 3.37Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.4Å; L274-L278 PolarHBondContact O-N 2.9Å
275N89Confident88.5Confident104 Ų10497 Ų9756%0.55651%0.51SS*.Hα-helixtrans-63.6-41.2177.5-78.5-55.3000112.1T271 I272 I273 L278 A279T271-N275 WeakPolarHBondContact O-CB 3.47Å; T271-N275 PolarHBondContact O-N 3.34Å; T271-N275 PolarHBondContact O-ND2 2.85Å; I272-N275 PolarHBondContact O-N 2.97Å; I273-N275 PolarHBondContact O-N 3.44Å; N275-L278 PolarHBondContact O-N 2.85Å; N275-A279 WeakPolarHBondContact O-CB 3.48Å; N275-A279 PolarHBondContact O-N 3.31Å
276V91.6Very high87.7Confident83 Ų83100.1 Ų100.150%0.50352%0.518SS..Hα-helixtrans-64.2-44.2175172.70000110.9I272 I273 L278 A279 V280I272-V276 HydrophobicContact CG2-CG2 4.42Å; I272-V276 WeakPolarHBondContact O-CG2 3.49Å; I272-V276 PolarHBondContact O-N 3.42Å; I273-V276 PolarHBondContact O-N 3.45Å; V276-L278 VanDerWaalsContact C-N 3.32Å; V276-L278 PolarHBondContact O-N 2.99Å; V276-A279 PolarHBondContact O-N 3.37Å; V276-V280 HydrophobicContact CG1-CG2 4.41Å; V276-V280 VanDerWaalsContact O-CG2 3.29Å; V276-V280 WeakPolarHBondContact O-CG2 3.49Å; V276-V280 PolarHBondContact O-N 3.18Å
277L90.7Very high86.5Confident94 Ų94102 Ų10249%0.49252%0.521SS..Hα-helixtrans-62.7-39.6176.7-70.7173.5000112I273 L274 V280 K281I273-L277 HydrophobicContact CG2-CD1 3.9Å; I273-L277 HydrophobicContact CG2-CG 4.32Å; I273-L277 WeakPolarHBondContact O-CB 3.28Å; I273-L277 VanDerWaalsContact O-CG 3.28Å; I273-L277 WeakPolarHBondContact O-CG 3.44Å; I273-L277 PolarHBondContact O-N 3.33Å; L274-L277 PolarHBondContact O-N 2.88Å; L277-V280 PolarHBondContact O-N 2.96Å; L277-K281 WeakPolarHBondContact O-CB 3.34Å; L277-K281 WeakPolarHBondContact O-CG 3.25Å; L277-K281 PolarHBondContact O-N 3.49Å
278L89Confident85Confident96 Ų96107.4 Ų107.450%0.50354%0.535SS..Hα-helixtrans-63.6-47.1173.5-77.8160.3000111.1L274 N275 V276 V280 K281 L282L274-L278 WeakPolarHBondContact O-CB 3.31Å; L274-L278 WeakPolarHBondContact O-CD1 3.37Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.4Å; L274-L278 PolarHBondContact O-N 2.9Å; N275-L278 PolarHBondContact O-N 2.85Å; V276-L278 VanDerWaalsContact C-N 3.32Å; V276-L278 PolarHBondContact O-N 2.99Å; L278-V280 VanDerWaalsContact C-N 3.33Å; L278-V280 PolarHBondContact O-N 3.42Å; L278-K281 PolarHBondContact O-N 2.86Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 2.81Å
279A89.3Confident83.5Confident57 Ų57106.2 Ų106.247%0.47153%0.529SS..Hα-helixtrans-60.1-41.7176.600000111.9N275 V276 L282 Y283N275-A279 WeakPolarHBondContact O-CB 3.48Å; N275-A279 PolarHBondContact O-N 3.31Å; V276-A279 PolarHBondContact O-N 3.37Å; A279-L282 PolarHBondContact O-N 3.26Å; A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.34Å; A279-Y283 PolarHBondContact O-N 2.88Å
280V88.7Confident81.5Confident65 Ų65105 Ų10539%0.39453%0.53SS..Hα-helixtrans-64.9-40.7175.3170.90000111.5V276 L277 L278 Y283 K284V276-V280 HydrophobicContact CG1-CG2 4.41Å; V276-V280 VanDerWaalsContact O-CG2 3.29Å; V276-V280 WeakPolarHBondContact O-CG2 3.49Å; V276-V280 PolarHBondContact O-N 3.18Å; L277-V280 PolarHBondContact O-N 2.96Å; L278-V280 VanDerWaalsContact C-N 3.33Å; L278-V280 PolarHBondContact O-N 3.42Å; V280-Y283 PolarHBondContact O-N 3.41Å; V280-K284 HydrophobicContact CG1-CD 4.35Å; V280-K284 WeakPolarHBondContact O-CB 3.44Å; V280-K284 WeakPolarHBondContact O-CG 3.39Å; V280-K284 PolarHBondContact O-N 2.98Å
281K88.8Confident79.5Confident154 Ų154104.7 Ų104.767%0.6754%0.542SS*.Hα-helixtrans-64.2-43.5175.5-77.2-179-179.9-177.50111.6L277 L278 K284 K285L277-K281 WeakPolarHBondContact O-CB 3.34Å; L277-K281 WeakPolarHBondContact O-CG 3.25Å; L277-K281 PolarHBondContact O-N 3.49Å; L278-K281 PolarHBondContact O-N 2.86Å; K281-K284 PolarHBondContact O-N 2.86Å; K281-K285 WeakPolarHBondContact O-CB 3.42Å; K281-K285 PolarHBondContact O-N 3.47Å
282L85.6Confident77.4Confident117 Ų117109.6 Ų109.661%0.61356%0.56SS**Hα-helixtrans-65.9-41.8176.6-69.5174000111.7L278 A279 K285 H286L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 2.81Å; A279-L282 PolarHBondContact O-N 3.26Å; L282-K285 PolarHBondContact O-N 2.91Å; L282-H286 WeakPolarHBondContact O-CB 3.29Å; L282-H286 PolarHBondContact O-N 3.25Å
283Y83.6Confident75Confident152 Ų152110.4 Ų110.460%0.59657%0.57SS**Hα-helixtrans-61.8-46.4175.3-179.1-98000111.8A279 V280 K285 H286 N287A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.34Å; A279-Y283 PolarHBondContact O-N 2.88Å; V280-Y283 PolarHBondContact O-N 3.41Å; Y283-K285 VanDerWaalsContact C-N 3.3Å; Y283-K285 PolarHBondContact O-N 3.48Å; Y283-H286 PolarHBondContact O-N 3.11Å; Y283-N287 WeakPolarHBondContact O-CB 3.49Å; Y283-N287 PolarHBondContact O-N 2.93Å
284K80.4Confident72.9Confident147 Ų147111.5 Ų111.564%0.63959%0.586SS**Hα-helixtrans-63.8-34.1175.6-76.4-175.4177.7-175.10112.6V280 K281 K288V280-K284 HydrophobicContact CG1-CD 4.35Å; V280-K284 WeakPolarHBondContact O-CB 3.44Å; V280-K284 WeakPolarHBondContact O-CG 3.39Å; V280-K284 PolarHBondContact O-N 2.98Å; K281-K284 PolarHBondContact O-N 2.86Å; K284-K288 WeakPolarHBondContact O-CB 3.49Å; K284-K288 PolarHBondContact O-N 3.42Å; K284-K288 VanDerWaalsContact O-N 3.11Å
285K82.7Confident70.6Confident135 Ų135113.6 Ų113.659%0.58760%0.601SS**Hα-helixtrans-68.8-46.5174.6-172.9177.6177.9-1770111.3K281 L282 Y283 N287 K288 D289K281-K285 WeakPolarHBondContact O-CB 3.42Å; K281-K285 PolarHBondContact O-N 3.47Å; L282-K285 PolarHBondContact O-N 2.91Å; Y283-K285 VanDerWaalsContact C-N 3.3Å; Y283-K285 PolarHBondContact O-N 3.48Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N287 PolarHBondContact O-N 3.05Å; K285-K288 WeakPolarHBondContact O-CA 3.41Å; K285-K288 WeakPolarHBondContact O-CB 3.4Å; K285-K288 PolarHBondContact O-N 2.91Å; K285-D289 PolarHBondContact O-N 3.43Å
286H70.3Confident68.1Low130 Ų130118 Ų11860%0.60262%0.616SS**Hα-helixtrans-61.2-40.4176.1-172.3-84.2000112.4L282 Y283 K288 D289 S290L282-H286 WeakPolarHBondContact O-CB 3.29Å; L282-H286 PolarHBondContact O-N 3.25Å; Y283-H286 PolarHBondContact O-N 3.11Å; H286-K288 VanDerWaalsContact C-N 3.28Å; H286-K288 PolarHBondContact O-N 2.92Å; H286-D289 PolarHBondContact O-N 3.46Å; H286-S290 WeakPolarHBondContact O-CB 3.38Å; H286-S290 PolarHBondContact O-N 3.34Å
287N63.2Low65.3Low90 Ų90123.6 Ų123.648%0.48164%0.637SS.*Hα-helixtrans-69.1-25.6174.6-118.720.4000113Y283 K285Y283-N287 WeakPolarHBondContact O-CB 3.49Å; Y283-N287 PolarHBondContact O-N 2.93Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N287 PolarHBondContact O-N 3.05Å
288K58.3Low62.5Low165 Ų165122.4 Ų122.472%0.71765%0.647SS**Hα-helixtrans-76.3-37174.2-167.3172.9-179.8176.80111.4K284 K285 H286K284-K288 WeakPolarHBondContact O-CB 3.49Å; K284-K288 PolarHBondContact O-N 3.42Å; K284-K288 VanDerWaalsContact O-N 3.11Å; K285-K288 WeakPolarHBondContact O-CA 3.41Å; K285-K288 WeakPolarHBondContact O-CB 3.4Å; K285-K288 PolarHBondContact O-N 2.91Å; H286-K288 VanDerWaalsContact C-N 3.28Å; H286-K288 PolarHBondContact O-N 2.92Å
289D56.8Low59.8Low85 Ų85127.8 Ų127.846%0.45567%0.666SS.*Hα-helixtrans-74.3-30.5176.4-63-19.4000111.6K285 H286 C291 Q292K285-D289 PolarHBondContact O-N 3.43Å; H286-D289 PolarHBondContact O-N 3.46Å; D289-C291 PolarHBondContact O-N 3.11Å; D289-Q292 PolarHBondContact O-N 3.27Å; D289-Q292 VanDerWaalsContact O-N 3.11Å
290S50.7Low56.8Low76 Ų76130.4 Ų130.453%0.53168%0.681SS.*THydrogen-bonded Turntrans-71.6-10.9177.3-162.50000114.7H286H286-S290 WeakPolarHBondContact O-CB 3.38Å; H286-S290 PolarHBondContact O-N 3.34Å
291C49.1Very low53.9Low119 Ų119132.3 Ų132.380%0.80470%0.697SS**THydrogen-bonded Turntrans-90.92.2169.9-89.90000113.5D289D289-C291 PolarHBondContact O-N 3.11Å
292Q45.2Very low50.8Low166 Ų166130.7 Ų130.778%0.77671%0.705SS**SBendtrans-109.9-5.2175.9-74.8-163.9-34.800114.7D289 S294D289-Q292 PolarHBondContact O-N 3.27Å; D289-Q292 VanDerWaalsContact O-N 3.11Å; Q292-S294 PolarHBondContact O-N 3.35Å
293T40.9Very low47.8Very low122 Ų122131 Ų13175%0.74872%0.716SS**  trans-98.868.7-179-39.60000111.8
294S46.1Very low45.6Very low111 Ų111129.7 Ų129.778%0.77673%0.726SS**SBendtrans-146.737.9159.475.50000112.8Q292Q292-S294 PolarHBondContact O-N 3.35Å
295V41.8Very low43Very low118 Ų118127.4 Ų127.472%0.71573%0.734SS**SBendtrans-148.2139.6159.9-163.90000108
296F37.8Very low40.4Very low196 Ų196125.4 Ų125.486%0.8674%0.743SS**  trans88.484.1176.5-77.2-86.2000119.1
297Q33.3Very low38.3Very low201 Ų201127.6 Ų127.694%0.93976%0.759SS**  trans-132.4117.7133.3-129.8167.5-11.400108.8
298G31.7Very low36.7Very low68 Ų68126.3 Ų126.370%0.70177%0.767SS**  trans-69.5175.1176.700000112.7
299K32.1Very low35.4Very low209 Ų209127.5 Ų127.591%0.90978%0.776SS**  cis-172.3144.538.8-139.2172.7-174.6177.60109.5
300S25.5Very low34.3Very low113 Ų113132.2 Ų132.279%0.7980%0.795SS**  trans58.2109.7143.2-1740000122.2
301S27.2Very low33.5Very low105 Ų105135.4 Ų135.473%0.73481%0.806SS**  -178137111.256.60000112.8
302S25.4Very low32.7Very low120 Ų120137 Ų13784%0.83981%0.806SS**  trans66.9121.6161.858.20000121.1
303C22.6Very low32.2Very low124 Ų124136 Ų13684%0.83881%0.806SS**  trans-79.2169.7158.7-61.50000110.5
304P36.7Very low32.1Very low124 Ų124138.6 Ų138.681%0.80581%0.809SS**  cis-141.5171.617.439.4-19.2000118.4
305A25.5Very low31.8Very low98 Ų98143.5 Ų143.581%0.8181%0.812SS**  trans108.2134.8140.100000119.9
306A27.3Very low31.4Very low94 Ų94142.5 Ų142.578%0.77782%0.816SS**  trans95.1102157.900000119.5
307D27.2Very low31.2Very low176 Ų176137.7 Ų137.794%0.94181%0.812SS**  64.5135.4126.5-93.3-10.1000123.9
308G30.4Very low31.2Very low63 Ų63134 Ų13465%0.64980%0.803SS**  trans95.8102.1158.300000114.7
309E30.5Very low31.3Very low190 Ų190137.3 Ų137.389%0.88881%0.805SS**  54.1128.193.7-79.3-175.5161.100112.8
310E32.8Very low31.5Very low184 Ų184133 Ų13386%0.8680%0.795SS**  cis-163.8164.518.5-150.9-179.817700109.6
311D35.1Very low31.9Very low142 Ų142134 Ų13476%0.75979%0.792SS**  trans-63.8146.7-169.8-110.6-29.8000116.8L313D311-L313 HydrophobicContact CB-CD1 4.39Å
312N32.2Very low32.2Very low153 Ų153137.7 Ų137.782%0.81880%0.798SS**  trans-114.594.9166-126-24.5000108.8
313L33.9Very low32.7Very low145 Ų145137.1 Ų137.176%0.75979%0.791SS**  trans-75.6121.1178.9-83.3116.7000112.1D311D311-L313 HydrophobicContact CB-CD1 4.39Å
314H38.7Very low33.3Very low177 Ų177137.8 Ų137.882%0.81979%0.792SS**  trans-122.1111.1155.6-76.9-54.2000109.7
315Y40Very low33Very low214 Ų214144 Ų14484%0.83980%0.799SS**  trans-77141.8171.667.5-85.3000110.3
316A33.8Very low33.3Very low96 Ų96144.5 Ų144.579%0.79380%0.797SS**  trans-122.7115.4160.900000107.8
317A34.1Very low33.4Very low95 Ų95150.6 Ų150.679%0.78580%0.799SS**  trans-90.4113.4170.100000108.9
318V32.6Very low33.5Very low124 Ų124151.7 Ų151.775%0.75279%0.79SS**  trans-77.3120.8173.7172.30000108.7V320V318-V320 HydrophobicContact CG1-CG2 3.87Å; V318-V320 PolarHBondContact O-N 3.32Å
319N33.8Very low33.5Very low137 Ų137156.1 Ų156.173%0.73379%0.794SS**  trans-81.3110.3171.5-169.417.2000109.2
320V36.5Very low33.5Very low118 Ų118155.5 Ų155.572%0.71579%0.789SS**  trans-103.6109.9172.2-178.10000108.5V318V318-V320 HydrophobicContact CG1-CG2 3.87Å; V318-V320 PolarHBondContact O-N 3.32Å
321N33.8Very low33.2Very low136 Ų136155.4 Ų155.473%0.72779%0.785SS**  trans-81.1126.5168.3-78.6-28.4000109.9
322Q33.9Very low32.9Very low182 Ų182153.4 Ų153.485%0.8578%0.783SS**  trans-162.1161.1153.9-110.6-175.918.300111
323P35.8Very low32.9Very low108 Ų108155 Ų15570%0.70179%0.785SS**  -116.5155.5-119.317.16.5000115.5
324T35.7Very low32.8Very low138 Ų138156.8 Ų156.885%0.84779%0.79SS**  trans16.5117.7155.648.20000121
325R30Very low32.3Very low254 Ų254154.4 Ų154.496%0.95879%0.788SS**  trans-155.4144.6132-133.7175.5-177.8-179.81112.7
326S31.2Very low31.8Very low108 Ų108152.2 Ų152.276%0.75579%0.785SS**  trans-71.6145.1-169.963.50000116
327R30.1Very low31.8Very low222 Ų222153.8 Ų153.884%0.83879%0.789SS**  173.7133.3114.8-126.3173.5172.9166.9-3.2112.8
328R29.6Very low31.7Very low199 Ų199155.4 Ų155.475%0.75179%0.789SS**  trans53.7115.4144.5-105.4-177.8172.8154.21122.1
329Q30.4Very low31.8Very low157 Ų157160.8 Ų160.873%0.73480%0.797SS**  62.2114.1124.5-90.4-179.7-34.700122.4
330K28.8Very low31.7Very low176 Ų176159.3 Ų159.377%0.76580%0.797SS**  95122.1118.1-142.1-173.7-174-179.30119.7
331K27.2Very low31.5Very low182 Ų182159 Ų15979%0.79180%0.8SS**  trans55.8116.2146.4-92-173.7167.5-173.30118.5
332S29.2Very low31.5Very low101 Ų101161.5 Ų161.571%0.70681%0.81SS**  79.7111.690176.70000112.3
333Q30.8Very low31.4Very low187 Ų187162.8 Ų162.887%0.87481%0.813SS**  -171.7135.3116.2-107.4174.2-24.900110.8
334E32.5Very low31.4Very low182 Ų182170.3 Ų170.385%0.8584%0.839SS**  trans-57.8145.4156.8-67.4163.7126.800110.6
335T28.2Very low31.2Very low126 Ų126172 Ų17277%0.77384%0.838SS**  trans168.4145.2135.737.20000104.9
336E29Very low31.3Very low169 Ų169167.6 Ų167.679%0.7983%0.832SS**  cis-168.1149.512-126167149.700105.7
337C34.3Very low31.3Very low128 Ų128170.9 Ų170.987%0.86584%0.836SS**  trans-74.5133.7171-66.80000110.7
338V31.9Very low31.3Very low130 Ų130167.9 Ų167.979%0.78884%0.836SS**  trans-137.2115.3159.1-176.40000109.3
339Y34.8Very low31.4Very low237 Ų237166 Ų16693%0.92984%0.842SS**  trans-101.4132.8165.2-99.5-87.8000109.2
340S32.5Very low31.5Very low105 Ų105166.6 Ų166.673%0.73485%0.849SS**  trans-175.1142.4153.559.70000106.7
341S31.1Very low31.7Very low111 Ų111165.9 Ų165.978%0.77686%0.855SS**  cis-175.7146.1140.70000104.9
342M34Very low32Very low190 Ų190164.7 Ų164.794%0.93686%0.86SS**  trans-60.2145.8173.7-72.3174.716600112.6
343K32.8Very low32.3Very low208 Ų208170 Ų17090%0.90487%0.872SS**  trans-140.9109.5149.7-100.8-173.8178.3-179.60110
344Q35.6Very low32.4Very low267 Ų267168.5 Ų168.5100%1.24887%0.872SS**  trans42.80146.6-148.4165.95.400120.4

Retrieved 344 of 344 residues in 213.6 ms (Link to these results)