A0A096M5N8_POEFO Loading...

PABPN1 like, cytoplasmic

AlphaFold DB , UniProt , Accession A0A096M5N8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low47.4Very low242 Ų242165.4 Ų165.4100%1.19279%0.787SS**  0111.40-67.4159.5179.600104.4
2A47.7Very low47.8Very low80 Ų80166.5 Ų166.566%0.66179%0.791SS**  11814260.900000105.2
3E49.9Very low46.9Very low177 Ų177160.3 Ų160.383%0.82780%0.799SS**  cis-146.8150.9-4.2-95.3134.2-153.100106.1
4N49.2Very low47.4Very low152 Ų152159.7 Ų159.781%0.81379%0.792SS**  58.996.367.5-90.83.2000116.4
5H47.3Very low47.7Very low180 Ų180157.2 Ų157.283%0.83379%0.792SS**  trans178.4138.1145.7-111.8-85.7000108.3
6L57.4Low47.7Very low142 Ų142156.2 Ų156.274%0.74379%0.786SS**  cis65.3124.733.9-63.5168.3000113.4
7E53.4Low47.2Very low139 Ų139151.3 Ų151.365%0.6578%0.784SS**  cis-143.9-1437-139.5-176.4134.100109.9
8Y38.8Very low46.9Very low155 Ų155150.6 Ų150.661%0.60878%0.776SS**  cis-166.3158.111.5-128.1-25000111.9
9R46.6Very low46.7Very low184 Ų184151.6 Ų151.669%0.69478%0.777SS**  trans61.7103145.7-66.7163.5-157.1-1591123.4
10Y44.5Very low46.7Very low220 Ų220152.1 Ų152.186%0.86377%0.774SS**  32.9134.9110.6-83.2-93000123.3
11L47.6Very low46.7Very low148 Ų148150.2 Ų150.278%0.77577%0.765SS**  179105123.9-92.9166.1000108.7
12E52.1Low47.5Very low179 Ų179145.7 Ų145.784%0.83674%0.742SS**  73124102.7-75.5-174.2-177.700117.3
13G36.2Very low48.4Very low86 Ų86146.5 Ų146.589%0.88774%0.735SS**  trans150.768.3167.900000118.5
14E54Low49.3Very low152 Ų152142.8 Ų142.871%0.7173%0.726SS**  trans-87.2155.7169.8-90.3-73.4153.700111.6M16E14-M16 PolarHBondContact OE2-N 2.74Å
15P52.3Low50Low122 Ų122142.8 Ų142.879%0.79272%0.721SS**  -148.5114.192.235.8-16.2000117.1
16M46.7Very low50.5Low141 Ų141139.6 Ų139.670%0.69571%0.709SS**  31.9123.6117.3-67.5-69.7-6500118.4E14E14-M16 PolarHBondContact OE2-N 2.74Å
17G40.4Very low51.2Low73 Ų73136.6 Ų136.675%0.75369%0.694SS**  trans179.151.5171.900000112.3H19G17-H19 PolarHBondContact O-N 3.38Å
18E41.1Very low52.2Low138 Ų138132.9 Ų132.965%0.64569%0.687SS**  trans-60.7128.3-172.1-67.9177.3114.700112.7F20E18-F20 HydrophobicContact CB-CD2 3.99Å; E18-F20 HydrophobicContact CB-CE2 4.4Å; E18-F20 PolarHBondContact O-N 2.84Å
19H43.6Very low54.1Low170 Ų170130.3 Ų130.379%0.78768%0.683SS**  trans-72.477.7161.5-120-86.1000108.4G17 N21G17-H19 PolarHBondContact O-N 3.38Å; H19-N21 PolarHBondContact ND1-OD1 2.89Å; H19-N21 PolarHBondContact O-N 3.13Å
20F45.3Very low55.7Low161 Ų161128.5 Ų128.571%0.70668%0.679SS**  trans-63.888.2159.5-99.4-87.2000107.5E18 E22E18-F20 HydrophobicContact CB-CD2 3.99Å; E18-F20 HydrophobicContact CB-CE2 4.4Å; E18-F20 PolarHBondContact O-N 2.84Å; F20-E22 PolarHBondContact O-N 3.34Å; F20-E22 VanDerWaalsContact O-N 3.13Å
21N48.2Very low57.6Low113 Ų113120.2 Ų120.260%0.60466%0.657SS**  trans-63.7111.5161.5-61.7-40.6000105.6H19 D23H19-N21 PolarHBondContact ND1-OD1 2.89Å; H19-N21 PolarHBondContact O-N 3.13Å; N21-D23 PolarHBondContact O-N 2.92Å
22E56.3Low59.2Low148 Ų148121.6 Ų121.669%0.69265%0.652SS**  trans-62.8101.3173.3-61.7-179.112900107.4F20 L27F20-E22 PolarHBondContact O-N 3.34Å; F20-E22 VanDerWaalsContact O-N 3.13Å; E22-L27 HydrophobicContact CB-CD1 3.88Å; E22-L27 HydrophobicContact CB-CD2 4.27Å; E22-L27 HydrophobicContact CB-CG 4.04Å
23D66.1Low60.9Low97 Ų97116.2 Ų116.252%0.51963%0.631SS.*  trans-54130.7-175.8-86.7-46000109.3N21 E25 L26 L27N21-D23 PolarHBondContact O-N 2.92Å; D23-E25 PolarHBondContact O-N 3.09Å; D23-L26 HydrophobicContact CB-CB 4.35Å; D23-L26 HydrophobicContact CB-CD1 4.13Å; D23-L26 HydrophobicContact CB-CG 4.07Å; D23-L26 WeakPolarHBondContact O-CA 3.47Å; D23-L26 WeakPolarHBondContact O-CB 3.48Å; D23-L26 PolarHBondContact O-N 3.05Å; D23-L27 PolarHBondContact O-N 2.98Å; D23-L27 VanDerWaalsContact O-N 3.09Å
24P69.3Low63.2Low98 Ų98118 Ų11864%0.63662%0.616SS**Hα-helixtrans-61.6-24.2-174.524.2-33.9000111.9A28P24-A28 VanDerWaalsContact O-CB 3.28Å; P24-A28 WeakPolarHBondContact O-CB 3.17Å; P24-A28 PolarHBondContact O-N 2.85Å
25E62.2Low64.6Low153 Ų153116.6 Ų116.672%0.71561%0.61SS**Hα-helixtrans-70.4-38.7171.6-58.9-166.3160.400112.6D23 A28 I29D23-E25 PolarHBondContact O-N 3.09Å; E25-A28 PolarHBondContact O-N 2.83Å; E25-I29 WeakPolarHBondContact O-CB 3.37Å; E25-I29 WeakPolarHBondContact O-CD1 3.28Å; E25-I29 WeakPolarHBondContact O-CG1 3.41Å; E25-I29 PolarHBondContact O-N 3.36Å
26L57.6Low65.9Low112 Ų112115.4 Ų115.459%0.58660%0.596SS**Hα-helixtrans-68.1-38.8175.3-68.5177.7000111.6D23 K30D23-L26 HydrophobicContact CB-CB 4.35Å; D23-L26 HydrophobicContact CB-CD1 4.13Å; D23-L26 HydrophobicContact CB-CG 4.07Å; D23-L26 WeakPolarHBondContact O-CA 3.47Å; D23-L26 WeakPolarHBondContact O-CB 3.48Å; D23-L26 PolarHBondContact O-N 3.05Å; L26-K30 VanDerWaalsContact O-CB 3.28Å; L26-K30 WeakPolarHBondContact O-CB 3.39Å; L26-K30 PolarHBondContact O-N 3.42Å
27L72.5Confident67.6Low80 Ų80114 Ų11442%0.41959%0.588SS.*Hα-helixtrans-64.5-42.5172.4-69.5175.4000111.6E22 D23 K30 A31E22-L27 HydrophobicContact CB-CD1 3.88Å; E22-L27 HydrophobicContact CB-CD2 4.27Å; E22-L27 HydrophobicContact CB-CG 4.04Å; D23-L27 PolarHBondContact O-N 2.98Å; D23-L27 VanDerWaalsContact O-N 3.09Å; L27-K30 PolarHBondContact O-N 3.03Å; L27-A31 WeakPolarHBondContact O-CB 3.35Å; L27-A31 PolarHBondContact O-N 3.18Å
28A75.8Confident69.4Low60 Ų60116 Ų11650%0.49658%0.579SS.*Hα-helixtrans-66.2-40.1176.400000113P24 E25 R32P24-A28 VanDerWaalsContact O-CB 3.28Å; P24-A28 WeakPolarHBondContact O-CB 3.17Å; P24-A28 PolarHBondContact O-N 2.85Å; E25-A28 PolarHBondContact O-N 2.83Å; A28-R32 WeakPolarHBondContact O-CB 3.28Å; A28-R32 PolarHBondContact O-N 2.92Å
29I77.4Confident71.1Confident102 Ų102114.9 Ų114.952%0.52357%0.574SS.*Hα-helixtrans-64.2-46.1174.5-71.1162.8000110.1E25 R32 V33E25-I29 WeakPolarHBondContact O-CB 3.37Å; E25-I29 WeakPolarHBondContact O-CD1 3.28Å; E25-I29 WeakPolarHBondContact O-CG1 3.41Å; E25-I29 PolarHBondContact O-N 3.36Å; I29-R32 PolarHBondContact O-N 2.92Å; I29-V33 HydrophobicContact CG2-CG2 4.5Å; I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 3.45Å
30K81.2Confident72.8Confident145 Ų145112 Ų11263%0.6356%0.561SS**Hα-helixtrans-62.4-44.3178.7-173.6-177.8177.6-175.60112.2L26 L27 V33 Q34L26-K30 VanDerWaalsContact O-CB 3.28Å; L26-K30 WeakPolarHBondContact O-CB 3.39Å; L26-K30 PolarHBondContact O-N 3.42Å; L27-K30 PolarHBondContact O-N 3.03Å; K30-V33 PolarHBondContact O-N 2.98Å; K30-Q34 WeakPolarHBondContact O-CB 3.37Å; K30-Q34 PolarHBondContact O-N 2.87Å
31A84Confident74.2Confident47 Ų47110.3 Ų110.339%0.38856%0.555SS.*Hα-helixtrans-59.7-46175.300000111.4L27 V33 Q34 E35L27-A31 WeakPolarHBondContact O-CB 3.35Å; L27-A31 PolarHBondContact O-N 3.18Å; A31-V33 PolarHBondContact O-N 3.29Å; A31-Q34 PolarHBondContact O-N 3.02Å; A31-E35 WeakPolarHBondContact O-CG 3.44Å; A31-E35 PolarHBondContact O-N 3.38Å
32R81.4Confident74.8Confident176 Ų176108.4 Ų108.466%0.66455%0.548SS*.Hα-helixtrans-67.7-31.9179.5-170.5178.6-179.3110.97113.8A28 I29 L36A28-R32 WeakPolarHBondContact O-CB 3.28Å; A28-R32 PolarHBondContact O-N 2.92Å; I29-R32 PolarHBondContact O-N 2.92Å; R32-L36 WeakPolarHBondContact O-CG 3.37Å; R32-L36 PolarHBondContact O-N 2.91Å
33V87.8Confident76.1Confident67 Ų67108 Ų10841%0.40655%0.546SS..Hα-helixtrans-67-45.7170.5168.80000109.9I29 K30 A31 E35 L36 E37I29-V33 HydrophobicContact CG2-CG2 4.5Å; I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 3.45Å; K30-V33 PolarHBondContact O-N 2.98Å; A31-V33 PolarHBondContact O-N 3.29Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 2.86Å; V33-L36 PolarHBondContact O-N 3.26Å; V33-E37 HydrophobicContact CG1-CG 4.25Å; V33-E37 WeakPolarHBondContact O-CG 3.39Å; V33-E37 PolarHBondContact O-N 2.63Å
34Q84.6Confident77Confident124 Ų124108 Ų10858%0.57954%0.541SS*.Hα-helixtrans-65.2-33.6178.8-171.4174.62.300113.1K30 A31 M38K30-Q34 WeakPolarHBondContact O-CB 3.37Å; K30-Q34 PolarHBondContact O-N 2.87Å; A31-Q34 PolarHBondContact O-N 3.02Å; Q34-M38 WeakPolarHBondContact O-CB 3.35Å; Q34-M38 PolarHBondContact O-N 3.19Å
35E83.2Confident77.3Confident121 Ų121109 Ų10957%0.56554%0.54SS*.Hα-helixtrans-61.1-49.5170.8-75.2170.9162.100111A31 V33 M38 E39A31-E35 WeakPolarHBondContact O-CG 3.44Å; A31-E35 PolarHBondContact O-N 3.38Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 2.86Å; E35-M38 PolarHBondContact O-N 2.98Å; E35-E39 WeakPolarHBondContact O-CG 3.41Å; E35-E39 PolarHBondContact O-N 3.41Å
36L78.5Confident78.3Confident98 Ų98107.2 Ų107.251%0.51353%0.53SS..Hα-helixtrans-65.2-39.3178.1-70.5167.9000112.8R32 V33 E39 E40R32-L36 WeakPolarHBondContact O-CG 3.37Å; R32-L36 PolarHBondContact O-N 2.91Å; V33-L36 PolarHBondContact O-N 3.26Å; L36-E39 PolarHBondContact O-N 2.89Å; L36-E40 WeakPolarHBondContact O-CB 3.46Å; L36-E40 PolarHBondContact O-N 3.37Å
37E83.6Confident79.6Confident111 Ų111108.5 Ų108.552%0.51953%0.533SS..Hα-helixtrans-61.8-43.3174.8-73.7171.5163.300111.1V33 E40 E41V33-E37 HydrophobicContact CG1-CG 4.25Å; V33-E37 WeakPolarHBondContact O-CG 3.39Å; V33-E37 PolarHBondContact O-N 2.63Å; E37-E40 PolarHBondContact O-N 3.45Å; E37-E41 WeakPolarHBondContact O-CG 3.42Å; E37-E41 PolarHBondContact O-N 3.31Å
38M77.8Confident79.6Confident116 Ų116109.3 Ų109.357%0.57154%0.535SS*.Hα-helixtrans-71.1-37.3177.9-160.9-163.176.900112.3Q34 E35 E41 T42Q34-M38 WeakPolarHBondContact O-CB 3.35Å; Q34-M38 PolarHBondContact O-N 3.19Å; E35-M38 PolarHBondContact O-N 2.98Å; M38-E41 PolarHBondContact O-N 3.44Å; M38-T42 WeakPolarHBondContact O-CG2 3.23Å; M38-T42 PolarHBondContact O-N 3.2Å; M38-T42 PolarHBondContact O-OG1 3.35Å
39E77.6Confident79.4Confident113 Ų113112.7 Ų112.753%0.52854%0.541SS..Hα-helixtrans-59.4-49171.7-75.8179165.200110.4E35 L36 E41 T42 E43E35-E39 WeakPolarHBondContact O-CG 3.41Å; E35-E39 PolarHBondContact O-N 3.41Å; L36-E39 PolarHBondContact O-N 2.89Å; E39-E41 VanDerWaalsContact C-N 3.32Å; E39-E41 PolarHBondContact O-N 3.37Å; E39-T42 PolarHBondContact O-N 3.08Å; E39-T42 VanDerWaalsContact O-N 3.08Å; E39-T42 PolarHBondContact O-OG1 3.04Å; E39-E43 PolarHBondContact O-N 2.92Å
40E79Confident79.4Confident110 Ų110113.1 Ų113.151%0.51454%0.54SS..Hα-helixtrans-62.5-33.7177.8-158.6-169.1138.800112.8L36 E37 K44L36-E40 WeakPolarHBondContact O-CB 3.46Å; L36-E40 PolarHBondContact O-N 3.37Å; E37-E40 PolarHBondContact O-N 3.45Å; E40-K44 VanDerWaalsContact CD-NZ 3.31Å; E40-K44 WeakPolarHBondContact O-CD 3.24Å; E40-K44 VanDerWaalsContact O-CG 3.24Å; E40-K44 WeakPolarHBondContact O-CG 3.38Å; E40-K44 PolarHBondContact O-N 2.8Å; E40-K44 VanDerWaalsContact OE1-CE 3.23Å; E40-K44 WeakPolarHBondContact OE1-CE 3.39Å; E40-K44 IonicContact OE1-NZ 2.66Å; E40-K44 PolarHBondContact OE1-NZ 2.93Å
41E74.9Confident79.3Confident126 Ų126112.1 Ų112.159%0.58953%0.533SS*.Hα-helixtrans-68.2-41.3171-76.3-171.3160.900112.5E37 M38 E39 K44 L45E37-E41 WeakPolarHBondContact O-CG 3.42Å; E37-E41 PolarHBondContact O-N 3.31Å; M38-E41 PolarHBondContact O-N 3.44Å; E39-E41 VanDerWaalsContact C-N 3.32Å; E39-E41 PolarHBondContact O-N 3.37Å; E41-K44 PolarHBondContact O-N 3.07Å; E41-L45 WeakPolarHBondContact O-CG 3.45Å; E41-L45 PolarHBondContact O-N 3.46Å
42T60.8Low78.4Confident73 Ų73113.6 Ų113.645%0.44854%0.539SS..Hα-helixtrans-69-36.1177.358.80000113.2M38 E39 K46M38-T42 WeakPolarHBondContact O-CG2 3.23Å; M38-T42 PolarHBondContact O-N 3.2Å; M38-T42 PolarHBondContact O-OG1 3.35Å; E39-T42 PolarHBondContact O-N 3.08Å; E39-T42 VanDerWaalsContact O-N 3.08Å; E39-T42 PolarHBondContact O-OG1 3.04Å; T42-K46 VanDerWaalsContact O-CB 3.3Å; T42-K46 WeakPolarHBondContact O-CB 3.33Å; T42-K46 PolarHBondContact O-N 2.96Å; T42-K46 VanDerWaalsContact O-N 3.07Å
43E82.4Confident77.8Confident139 Ų139109.8 Ų109.865%0.6553%0.532SS*.Hα-helixtrans-65.7-43.5174.3-70.3-161.914200111.2E39 K46 E47E39-E43 PolarHBondContact O-N 2.92Å; E43-K46 PolarHBondContact O-N 3.15Å; E43-E47 PolarHBondContact O-N 2.84Å
44K84.6Confident77Confident98 Ų98109.2 Ų109.243%0.42653%0.534SS..Hα-helixtrans-59.3-50.2174.7-73.7164.1-170.3154.30112.4E40 E41 K46 E47 E48E40-K44 VanDerWaalsContact CD-NZ 3.31Å; E40-K44 WeakPolarHBondContact O-CD 3.24Å; E40-K44 VanDerWaalsContact O-CG 3.24Å; E40-K44 WeakPolarHBondContact O-CG 3.38Å; E40-K44 PolarHBondContact O-N 2.8Å; E40-K44 VanDerWaalsContact OE1-CE 3.23Å; E40-K44 WeakPolarHBondContact OE1-CE 3.39Å; E40-K44 IonicContact OE1-NZ 2.66Å; E40-K44 PolarHBondContact OE1-NZ 2.93Å; E41-K44 PolarHBondContact O-N 3.07Å; K44-K46 PolarHBondContact O-N 2.69Å; K44-E47 PolarHBondContact O-N 3.28Å; K44-E47 VanDerWaalsContact O-N 3.15Å; K44-E48 VanDerWaalsContact O-CG 3.27Å; K44-E48 WeakPolarHBondContact O-CG 3.5Å; K44-E48 PolarHBondContact O-N 2.93Å
45L75.9Confident76.2Confident117 Ų117109.2 Ų109.261%0.61353%0.534SS*.Hα-helixtrans-58.3-38.3178.8-73.4170.2000111.6E41 E48 E49E41-L45 WeakPolarHBondContact O-CG 3.45Å; E41-L45 PolarHBondContact O-N 3.46Å; L45-E48 PolarHBondContact O-N 3.37Å; L45-E49 WeakPolarHBondContact O-CB 3.3Å; L45-E49 PolarHBondContact O-N 2.9Å
46K84.7Confident75.5Confident117 Ų117109.1 Ų109.151%0.50953%0.533SS..Hα-helixtrans-71.6-36176.7-173.2173.9172.3-66.50113.1T42 E43 K44 E48 E50T42-K46 VanDerWaalsContact O-CB 3.3Å; T42-K46 WeakPolarHBondContact O-CB 3.33Å; T42-K46 PolarHBondContact O-N 2.96Å; T42-K46 VanDerWaalsContact O-N 3.07Å; E43-K46 PolarHBondContact O-N 3.15Å; K44-K46 PolarHBondContact O-N 2.69Å; K46-E48 VanDerWaalsContact C-N 3.34Å; K46-E50 WeakPolarHBondContact CE-OE1 3.27Å; K46-E50 IonicContact NZ-OE1 2.63Å; K46-E50 PolarHBondContact NZ-OE1 3.29Å; K46-E50 WeakPolarHBondContact O-CB 3.48Å; K46-E50 WeakPolarHBondContact O-CG 3.41Å; K46-E50 PolarHBondContact O-N 3.29Å
47E83.2Confident74.6Confident139 Ų139110.7 Ų110.765%0.6554%0.54SS*.Hα-helixtrans-66-35.1170-75-165.5157.600112.1E43 K44 R51E43-E47 PolarHBondContact O-N 2.84Å; K44-E47 PolarHBondContact O-N 3.28Å; K44-E47 VanDerWaalsContact O-N 3.15Å; E47-R51 WeakPolarHBondContact O-CB 3.37Å; E47-R51 PolarHBondContact O-N 2.86Å
48E72.5Confident73.7Confident97 Ų97112.5 Ų112.545%0.45355%0.548SS..Hα-helixtrans-71.2-39.8175.2-57.8-140112.500111.9K44 L45 K46 R51 C52K44-E48 VanDerWaalsContact O-CG 3.27Å; K44-E48 WeakPolarHBondContact O-CG 3.5Å; K44-E48 PolarHBondContact O-N 2.93Å; L45-E48 PolarHBondContact O-N 3.37Å; K46-E48 VanDerWaalsContact C-N 3.34Å; E48-R51 PolarHBondContact O-N 3.25Å; E48-R51 IonicContact OE1-CZ 3.67Å; E48-R51 IonicContact OE1-NH1 3.87Å; E48-R51 PolarHBondContact OE1-NH1 2.96Å; E48-R51 IonicContact OE1-NH2 2.88Å; E48-R51 PolarHBondContact OE1-NH2 3.37Å; E48-C52 PolarHBondContact O-N 2.56Å; E48-C52 PolarHBondContact O-SG 3.39Å; E48-C52 VanDerWaalsContact O-SG 3.39Å
49E71.8Confident72.7Confident131 Ų131113.2 Ų113.261%0.61255%0.554SS**Hα-helixtrans-63.9-49.3173.5-168.7169.8-149.300111.1L45 R51 C52 D53L45-E49 WeakPolarHBondContact O-CB 3.3Å; L45-E49 PolarHBondContact O-N 2.9Å; E49-R51 VanDerWaalsContact C-N 3.26Å; E49-R51 PolarHBondContact O-N 2.88Å; E49-C52 PolarHBondContact O-N 3.44Å; E49-D53 WeakPolarHBondContact O-CB 3.17Å; E49-D53 PolarHBondContact O-N 2.98Å
50E78.1Confident71.8Confident110 Ų110112.6 Ų112.651%0.51455%0.553SS.*Hα-helixtrans-62.4-30.6175.3-76-175.9-162.800112.9K46 A54K46-E50 WeakPolarHBondContact CE-OE1 3.27Å; K46-E50 IonicContact NZ-OE1 2.63Å; K46-E50 PolarHBondContact NZ-OE1 3.29Å; K46-E50 WeakPolarHBondContact O-CB 3.48Å; K46-E50 WeakPolarHBondContact O-CG 3.41Å; K46-E50 PolarHBondContact O-N 3.29Å; E50-A54 WeakPolarHBondContact O-CB 3.19Å; E50-A54 PolarHBondContact O-N 2.92Å
51R78.2Confident70.5Confident125 Ų125113 Ų11347%0.47256%0.563SS.*Hα-helixtrans-71.5-42.4174.1-172177.471.2-131.70.3111.8E47 E48 E49 A54 E55E47-R51 WeakPolarHBondContact O-CB 3.37Å; E47-R51 PolarHBondContact O-N 2.86Å; E48-R51 PolarHBondContact O-N 3.25Å; E48-R51 IonicContact OE1-CZ 3.67Å; E48-R51 IonicContact OE1-NH1 3.87Å; E48-R51 PolarHBondContact OE1-NH1 2.96Å; E48-R51 IonicContact OE1-NH2 2.88Å; E48-R51 PolarHBondContact OE1-NH2 3.37Å; E49-R51 VanDerWaalsContact C-N 3.26Å; E49-R51 PolarHBondContact O-N 2.88Å; R51-A54 PolarHBondContact O-N 2.87Å; R51-E55 WeakPolarHBondContact O-CG 3.49Å; R51-E55 PolarHBondContact O-N 3.26Å
52C66.1Low69.5Low78 Ų78111 Ų11153%0.52756%0.564SS.*Hα-helixtrans-63.6-45.3173.3-73.40000111.8E48 E49 A54 E55 E56E48-C52 PolarHBondContact O-N 2.56Å; E48-C52 PolarHBondContact O-SG 3.39Å; E48-C52 VanDerWaalsContact O-SG 3.39Å; E49-C52 PolarHBondContact O-N 3.44Å; C52-A54 VanDerWaalsContact C-N 3.32Å; C52-A54 PolarHBondContact O-N 3.18Å; C52-E55 PolarHBondContact O-N 3Å; C52-E56 PolarHBondContact O-N 3.4Å
53D68Low68.9Low96 Ų96112 Ų11251%0.51357%0.574SS.*Hα-helixtrans-61.7-38.5175-92.79.4000111.9E49 M57E49-D53 WeakPolarHBondContact O-CB 3.17Å; E49-D53 PolarHBondContact O-N 2.98Å; D53-M57 WeakPolarHBondContact O-CB 3.21Å; D53-M57 PolarHBondContact O-N 3.35Å
54A70.6Confident67.4Low54 Ų54111.2 Ų111.245%0.44658%0.58SS.*Hα-helixtrans-67.2-39.9175.800000112.4E50 R51 C52 Q58E50-A54 WeakPolarHBondContact O-CB 3.19Å; E50-A54 PolarHBondContact O-N 2.92Å; R51-A54 PolarHBondContact O-N 2.87Å; C52-A54 VanDerWaalsContact C-N 3.32Å; C52-A54 PolarHBondContact O-N 3.18Å; A54-Q58 WeakPolarHBondContact O-CB 3.18Å; A54-Q58 PolarHBondContact O-N 2.94Å
55E69.3Low65.5Low125 Ų125117.2 Ų117.258%0.58460%0.6SS**Hα-helixtrans-66.1-45173.5-74.5-177.3-172.600111.4R51 C52 Q58 L59R51-E55 WeakPolarHBondContact O-CG 3.49Å; R51-E55 PolarHBondContact O-N 3.26Å; C52-E55 PolarHBondContact O-N 3Å; E55-Q58 PolarHBondContact O-N 2.93Å; E55-L59 WeakPolarHBondContact O-CG 3.33Å; E55-L59 PolarHBondContact O-N 3.31Å
56E67.3Low64Low118 Ų118115.9 Ų115.955%0.55160%0.599SS**Hα-helixtrans-60.5-47.1174.1176.5162.2165.900111.4C52 Q58 L59 L60C52-E56 PolarHBondContact O-N 3.4Å; E56-Q58 VanDerWaalsContact C-N 3.28Å; E56-Q58 PolarHBondContact O-N 2.83Å; E56-L59 WeakPolarHBondContact O-CB 3.43Å; E56-L59 PolarHBondContact O-N 3.12Å; E56-L59 VanDerWaalsContact O-N 3.12Å; E56-L60 HydrophobicContact CG-CD1 3.65Å; E56-L60 WeakPolarHBondContact O-CD1 3.19Å; E56-L60 PolarHBondContact O-N 2.86Å
57M60.7Low62.2Low132 Ų132112.5 Ų112.565%0.6560%0.597SS**Hα-helixtrans-65.7-32.2179.9-160.5179.8-51.900112.3D53 L60 T61D53-M57 WeakPolarHBondContact O-CB 3.21Å; D53-M57 PolarHBondContact O-N 3.35Å; M57-L60 PolarHBondContact O-N 3.38Å; M57-T61 PolarHBondContact O-N 3.12Å; M57-T61 VanDerWaalsContact O-N 3.12Å
58Q63.8Low60.6Low149 Ų149111.6 Ų111.670%0.69660%0.604SS**Hα-helixtrans-72.8-31.7173.7-164.8169.3121.300112.4A54 E55 E56A54-Q58 WeakPolarHBondContact O-CB 3.18Å; A54-Q58 PolarHBondContact O-N 2.94Å; E55-Q58 PolarHBondContact O-N 2.93Å; E56-Q58 VanDerWaalsContact C-N 3.28Å; E56-Q58 PolarHBondContact O-N 2.83Å
59L57.9Low59.5Low131 Ų131113.6 Ų113.669%0.68661%0.611SS**Hα-helixtrans-67.9-43.1168.3-69.8166.8000111.2E55 E56 T61 S62E55-L59 WeakPolarHBondContact O-CG 3.33Å; E55-L59 PolarHBondContact O-N 3.31Å; E56-L59 WeakPolarHBondContact O-CB 3.43Å; E56-L59 PolarHBondContact O-N 3.12Å; E56-L59 VanDerWaalsContact O-N 3.12Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.41Å; L59-S62 PolarHBondContact O-OG 3.38Å; L59-S62 VanDerWaalsContact O-OG 3.09Å
60L57.4Low58.4Low99 Ų99113.2 Ų113.252%0.51861%0.605SS.*Hα-helixtrans-65-29.5179.8-9776.2000114.5E56 M57E56-L60 HydrophobicContact CG-CD1 3.65Å; E56-L60 WeakPolarHBondContact O-CD1 3.19Å; E56-L60 PolarHBondContact O-N 2.86Å; M57-L60 PolarHBondContact O-N 3.38Å
61T52.7Low57.6Low118 Ų118113.2 Ų113.272%0.72462%0.617SS**Hα-helixtrans-83-15-174.9-157.80000114M57 L59M57-T61 PolarHBondContact O-N 3.12Å; M57-T61 VanDerWaalsContact O-N 3.12Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.41Å
62S53.2Low57.2Low85 Ų85112.4 Ų112.459%0.59462%0.62SS**SBendtrans-89.4-10.1-163.768.40000116.7L59L59-S62 PolarHBondContact O-OG 3.38Å; L59-S62 VanDerWaalsContact O-OG 3.09Å
63S48.3Very low57.9Low94 Ų94111.9 Ų111.966%0.65761%0.614SS**SBendtrans-160.9153.5172.6-90.40000116R65S63-R65 PolarHBondContact O-N 3.14Å
64P50.3Low58.5Low122 Ų122111.9 Ų111.979%0.79262%0.619SS**  trans-63.9127.3178.9-21.333.6000113.4P66P64-P66 WeakPolarHBondContact O-CD 3.45Å
65R46.4Very low59.1Low224 Ų224116.8 Ų116.885%0.84563%0.633SS**  trans-52.3123.6-175.4-67.1-179.9173.1-167.5-4.5114.3S63S63-R65 PolarHBondContact O-N 3.14Å
66P44.6Very low59.8Low89 Ų89115.4 Ų115.458%0.57863%0.627SS**  trans-104.829.8163.226.2-8.2000112.7P64 Y70P64-P66 WeakPolarHBondContact O-CD 3.45Å; P66-Y70 HydrophobicContact CB-CD2 4.43Å
67G45.7Very low60.6Low46 Ų46115.1 Ų115.147%0.47462%0.62SS.*  trans75.4176.7-177.500000114.2F69G67-F69 PolarHBondContact O-N 3.16Å
68P49.2Very low61.8Low121 Ų121112.1 Ų112.179%0.78661%0.607SS**THydrogen-bonded Turntrans-7616-172.432.6-37.4000114.6
69F50.6Low63Low138 Ų138107 Ų10761%0.60558%0.584SS**THydrogen-bonded Turntrans-114.83-170.2-78.3-78.3000114.8G67G67-F69 PolarHBondContact O-N 3.16Å
70Y49.2Very low64.5Low124 Ų124101.5 Ų101.549%0.48656%0.558SS.*  trans-141.236.8-170.1-68.4-75.3000114P66 R77P66-Y70 HydrophobicContact CB-CD2 4.43Å; Y70-R77 PolarHBondContact O-NH2 3.17Å
71S59.8Low66Low110 Ų11098.1 Ų98.177%0.76954%0.54SS*.  trans-74.4-20.2171.545.20000114.1
72M69.8Low67.9Low107 Ų10796.1 Ų96.153%0.52753%0.525SS..SBendtrans-53.9141.1-180-60.8-58.1-176.400112.9E76 R77M72-E76 HydrophobicContact CB-CB 4.21Å; M72-R77 HydrophobicContact CB-CG 4.11Å; M72-R77 PolarHBondContact O-NE 3.14Å; M72-R77 PolarHBondContact O-NH2 3.48Å
73T82.1Confident69.8Low67 Ų6795 Ų9541%0.41151%0.508SS..  trans-62.6164.1174.464.80000112.2E75 E76 R77T73-E75 PolarHBondContact O-N 2.87Å; T73-E76 VanDerWaalsContact CB-OE2 3.26Å; T73-E76 WeakPolarHBondContact CB-OE2 3.28Å; T73-E76 VanDerWaalsContact CG2-OE2 3.3Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.3Å; T73-E76 PolarHBondContact N-OE2 2.72Å; T73-E76 VanDerWaalsContact OG1-CD 3.26Å; T73-E76 VanDerWaalsContact OG1-CG 3.28Å; T73-E76 WeakPolarHBondContact OG1-CG 3.34Å; T73-E76 PolarHBondContact OG1-N 2.97Å; T73-E76 PolarHBondContact OG1-OE2 2.78Å; T73-R77 VanDerWaalsContact O-CG 3.27Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 2.79Å; T73-R77 VanDerWaalsContact O-N 3.15Å
74P80.8Confident72Confident96 Ų9690.6 Ų90.662%0.62348%0.477SS*.Hα-helixtrans-58.6-31.8174.9-24.935.7000113.7I78P74-I78 WeakPolarHBondContact O-CD1 3.27Å; P74-I78 WeakPolarHBondContact O-CG1 3.06Å; P74-I78 PolarHBondContact O-N 3.33Å
75E81.6Confident74.1Confident158 Ų15884.8 Ų84.874%0.73844%0.439SS*.Hα-helixtrans-76.9-45.2-176.2-62.1-179.3-177.600111.3T73 R77 I78 D79T73-E75 PolarHBondContact O-N 2.87Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 3.18Å; E75-I78 WeakPolarHBondContact O-CB 3.25Å; E75-I78 PolarHBondContact O-N 2.79Å; E75-I78 VanDerWaalsContact O-N 3.11Å; E75-D79 PolarHBondContact O-N 3.25Å
76E84.5Confident76.5Confident95 Ų9576.8 Ų76.844%0.44441%0.409SS..Hα-helixtrans-60.4-38172.6-69.3161.7135.200111.9M72 T73 I78 D79 A80M72-E76 HydrophobicContact CB-CB 4.21Å; T73-E76 VanDerWaalsContact CB-OE2 3.26Å; T73-E76 WeakPolarHBondContact CB-OE2 3.28Å; T73-E76 VanDerWaalsContact CG2-OE2 3.3Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.3Å; T73-E76 PolarHBondContact N-OE2 2.72Å; T73-E76 VanDerWaalsContact OG1-CD 3.26Å; T73-E76 VanDerWaalsContact OG1-CG 3.28Å; T73-E76 WeakPolarHBondContact OG1-CG 3.34Å; T73-E76 PolarHBondContact OG1-N 2.97Å; T73-E76 PolarHBondContact OG1-OE2 2.78Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 3.18Å; E76-D79 PolarHBondContact O-N 3.35Å; E76-A80 VanDerWaalsContact O-CB 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 2.79Å
77R84.1Confident78.9Confident112 Ų11272.5 Ų72.542%0.42338%0.382SS..Hα-helixtrans-63-39.4174.1-69.2172.4-156-1501.3112.2Y70 M72 T73 E75 D81Y70-R77 PolarHBondContact O-NH2 3.17Å; M72-R77 HydrophobicContact CB-CG 4.11Å; M72-R77 PolarHBondContact O-NE 3.14Å; M72-R77 PolarHBondContact O-NH2 3.48Å; T73-R77 VanDerWaalsContact O-CG 3.27Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 2.79Å; T73-R77 VanDerWaalsContact O-N 3.15Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 3.18Å; R77-D81 VanDerWaalsContact O-CB 3.26Å; R77-D81 WeakPolarHBondContact O-CB 3.26Å; R77-D81 PolarHBondContact O-N 2.77Å
78I85.9Confident81.3Confident70 Ų7070.4 Ų70.436%0.35936%0.359SS..Hα-helixtrans-67.5-40.6176.5-73.1164.3000110.3P74 E75 E76 D81 N82 T160P74-I78 WeakPolarHBondContact O-CD1 3.27Å; P74-I78 WeakPolarHBondContact O-CG1 3.06Å; P74-I78 PolarHBondContact O-N 3.33Å; E75-I78 WeakPolarHBondContact O-CB 3.25Å; E75-I78 PolarHBondContact O-N 2.79Å; E75-I78 VanDerWaalsContact O-N 3.11Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 3.18Å; I78-D81 PolarHBondContact O-N 2.77Å; I78-N82 PolarHBondContact O-N 2.65Å; I78-N82 PolarHBondContact O-ND2 2.74Å; I78-T160 HydrophobicContact CG2-CG2 4.26Å
79D88.6Confident83.5Confident40 Ų4068.6 Ų68.621%0.21434%0.343CS..Hα-helixtrans-68.9-44.1176.6-177.565.5000113.2E75 E76 D81 N82 R83 R134E75-D79 PolarHBondContact O-N 3.25Å; E76-D79 PolarHBondContact O-N 3.35Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 3.45Å; D79-N82 CarbonylContact O-C 3.59Å; D79-N82 WeakPolarHBondContact O-CA 3.46Å; D79-N82 WeakPolarHBondContact O-CB 3.42Å; D79-N82 PolarHBondContact O-N 2.92Å; D79-N82 VanDerWaalsContact O-N 3.08Å; D79-R83 PolarHBondContact O-N 3.09Å; D79-R83 IonicContact OD2-CZ 3.44Å; D79-R83 IonicContact OD2-NE 3.28Å; D79-R83 PolarHBondContact OD2-NE 3.15Å; D79-R83 IonicContact OD2-NH2 2.69Å; D79-R83 PolarHBondContact OD2-NH2 2.94Å; D79-R134 IonicContact OD1-CZ 2.56Å; D79-R134 VanDerWaalsContact OD1-CZ 3.29Å; D79-R134 IonicContact OD1-NE 3.16Å; D79-R134 PolarHBondContact OD1-NE 3.08Å; D79-R134 VanDerWaalsContact OD1-NE 3.11Å; D79-R134 IonicContact OD1-NH2 2.72Å; D79-R134 PolarHBondContact OD1-NH2 2.91Å
80A89.3Confident85.5Confident17 Ų1762.2 Ų62.214%0.1432%0.315CS..Hα-helixtrans-61-38.5172.700000111.7E76 R83 S84 E130E76-A80 VanDerWaalsContact O-CB 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 2.79Å; A80-R83 CarbonylContact O-C 3.5Å; A80-R83 PolarHBondContact O-N 2.99Å; A80-S84 WeakPolarHBondContact O-CB 3.43Å; A80-S84 PolarHBondContact O-N 3.21Å; A80-S84 VanDerWaalsContact O-N 3.1Å; A80-S84 PolarHBondContact O-OG 2.66Å; A80-E130 HydrophobicContact CB-CG 4.44Å
81D89.7Confident87.7Confident28 Ų2857.7 Ų57.715%0.1530%0.3CS..Hα-helixtrans-62.8-40.4171.3-87.25.8000112R77 I78 D79 R83 S84 K158 T160R77-D81 VanDerWaalsContact O-CB 3.26Å; R77-D81 WeakPolarHBondContact O-CB 3.26Å; R77-D81 PolarHBondContact O-N 2.77Å; I78-D81 PolarHBondContact O-N 2.77Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 3.45Å; D81-R83 VanDerWaalsContact C-N 3.3Å; D81-R83 PolarHBondContact O-N 3.4Å; D81-S84 WeakPolarHBondContact O-CB 3.33Å; D81-S84 PolarHBondContact O-N 3.32Å; D81-K158 HydrophobicContact CB-CD 4.43Å; D81-K158 WeakPolarHBondContact OD1-CE 3.34Å; D81-K158 IonicContact OD1-NZ 2.81Å; D81-K158 PolarHBondContact OD1-NZ 2.81Å; D81-T160 HydrophobicContact CB-CG2 3.51Å; D81-T160 WeakPolarHBondContact OD2-CA 3.4Å
82N91.6Very high89.2Confident75 Ų7559.1 Ų59.140%0.40129%0.289SS..Hα-helixtrans-68.5-27.5175.3-67.8-38000112.9I78 D79 S84I78-N82 PolarHBondContact O-N 2.65Å; I78-N82 PolarHBondContact O-ND2 2.74Å; D79-N82 CarbonylContact O-C 3.59Å; D79-N82 WeakPolarHBondContact O-CA 3.46Å; D79-N82 WeakPolarHBondContact O-CB 3.42Å; D79-N82 PolarHBondContact O-N 2.92Å; D79-N82 VanDerWaalsContact O-N 3.08Å; N82-S84 VanDerWaalsContact C-N 3.32Å
83R93.9Very high90.3Very high62 Ų6256.1 Ų56.123%0.23429%0.285CS..THydrogen-bonded Turntrans-86.85172-74.7-169.5-82.41452.4114D79 A80 D81 F131 S132 R134 V137D79-R83 PolarHBondContact O-N 3.09Å; D79-R83 IonicContact OD2-CZ 3.44Å; D79-R83 IonicContact OD2-NE 3.28Å; D79-R83 PolarHBondContact OD2-NE 3.15Å; D79-R83 IonicContact OD2-NH2 2.69Å; D79-R83 PolarHBondContact OD2-NH2 2.94Å; A80-R83 CarbonylContact O-C 3.5Å; A80-R83 PolarHBondContact O-N 2.99Å; D81-R83 VanDerWaalsContact C-N 3.3Å; D81-R83 PolarHBondContact O-N 3.4Å; R83-F131 PolarHBondContact O-N 3.29Å; R83-S132 WeakPolarHBondContact CD-O 3.43Å; R83-S132 PolarHBondContact NH1-O 3.02Å; R83-R134 HydrophobicContact CG-CB 4.34Å; R83-R134 HydrophobicContact CG-CG 3.41Å; R83-R134 VanDerWaalsContact CG-CG 3.41Å; R83-V137 VanDerWaalsContact C-CG2 3.46Å; R83-V137 WeakPolarHBondContact O-CG2 3.46Å
84S94.4Very high90.7Very high1 Ų153.7 Ų53.71%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-108.9148.5-177.7-65.80000113.9A80 D81 N82 I129 K158A80-S84 WeakPolarHBondContact O-CB 3.43Å; A80-S84 PolarHBondContact O-N 3.21Å; A80-S84 VanDerWaalsContact O-N 3.1Å; A80-S84 PolarHBondContact O-OG 2.66Å; D81-S84 WeakPolarHBondContact O-CB 3.33Å; D81-S84 PolarHBondContact O-N 3.32Å; N82-S84 VanDerWaalsContact C-N 3.32Å; S84-I129 CarbonylContact C-O 3.46Å; S84-I129 WeakPolarHBondContact CA-O 3.15Å; S84-I129 WeakPolarHBondContact CB-O 3.31Å; S84-K158 VanDerWaalsContact O-CB 3.29Å; S84-K158 WeakPolarHBondContact O-CB 3.21Å; S84-K158 PolarHBondContact O-N 3.11Å; S84-K158 PolarHBondContact OG-NZ 2.88Å
85I95.5Very high91.3Very high0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-101.8154.9162.558.3175.3000111.9V87 F103 Y128 I129 F131 V137 A140 V155 L156I85-V87 HydrophobicContact CD1-CG2 3.66Å; I85-V87 HydrophobicContact CG1-CG2 4.03Å; I85-F103 HydrophobicContact CD1-CD1 3.92Å; I85-F103 HydrophobicContact CD1-CE1 3.85Å; I85-F103 HydrophobicContact CD1-CG 4.33Å; I85-F103 HydrophobicContact CD1-CZ 4.21Å; I85-Y128 WeakPolarHBondContact O-CA 3.41Å; I85-I129 HydrophobicContact CD1-CB 4.12Å; I85-I129 HydrophobicContact CD1-CD1 4.33Å; I85-I129 HydrophobicContact CG1-CB 3.77Å; I85-I129 PolarHBondContact N-O 2.87Å; I85-I129 PolarHBondContact O-N 2.85Å; I85-I129 VanDerWaalsContact O-N 3.13Å; I85-F131 HydrophobicContact CD1-CE2 3.77Å; I85-F131 HydrophobicContact CD1-CZ 3.91Å; I85-F131 HydrophobicContact CG1-CE2 3.82Å; I85-F131 HydrophobicContact CG1-CZ 4.41Å; I85-F131 HydrophobicContact CG2-CE2 4.04Å; I85-V137 HydrophobicContact CG2-CB 4.45Å; I85-V137 HydrophobicContact CG2-CG1 3.85Å; I85-A140 HydrophobicContact CD1-CB 3.88Å; I85-A140 HydrophobicContact CG2-CB 4.17Å; I85-V155 HydrophobicContact CB-CG1 4.17Å; I85-V155 HydrophobicContact CD1-CG1 3.98Å; I85-V155 HydrophobicContact CG2-CG1 4.18Å; I85-L156 CarbonylContact C-O 3.58Å; I85-L156 WeakPolarHBondContact CA-O 3.27Å
86Y95.9Very high91.9Very high56 Ų5646.1 Ų46.122%0.2224%0.239CC..EExtended strand (participates in β ladder)trans-98128.4159.1162.3-91000108.4F126 Y128 V155 L156Y86-F126 HydrophobicContact CE2-CB 4.21Å; Y86-F126 AromaticContact CE2-CD1 3.79Å; Y86-F126 HydrophobicContact CE2-CD1 3.79Å; Y86-F126 HydrophobicContact CE2-CG 4.17Å; Y86-F126 AromaticContact CZ-CD1 3.64Å; Y86-F126 WeakPolarHBondContact OH-CD1 3.43Å; Y86-F126 WeakPolarHBondContact OH-CE1 3.49Å; Y86-Y128 HydrophobicContact CD2-CD1 4.45Å; Y86-Y128 AromaticContact CD2-CE1 3.81Å; Y86-Y128 HydrophobicContact CD2-CE1 3.81Å; Y86-Y128 HydrophobicContact CG-CE1 4.42Å; Y86-V155 WeakPolarHBondContact O-CA 3.25Å; Y86-L156 HydrophobicContact CD1-CB 4.16Å; Y86-L156 HydrophobicContact CD1-CD1 4.35Å; Y86-L156 PolarHBondContact N-O 2.88Å; Y86-L156 PolarHBondContact O-N 3.42Å
87V95.4Very high92.3Very high0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-115.5124.7172.7-170.30000108.2I85 V90 F103 F126 A127 I129 L153I85-V87 HydrophobicContact CD1-CG2 3.66Å; I85-V87 HydrophobicContact CG1-CG2 4.03Å; V87-V90 HydrophobicContact CB-CG2 4.25Å; V87-V90 HydrophobicContact CG1-CG2 3.74Å; V87-F103 HydrophobicContact CG1-CE2 4.25Å; V87-F103 HydrophobicContact CG1-CZ 4.27Å; V87-F103 HydrophobicContact CG2-CE2 3.89Å; V87-F103 HydrophobicContact CG2-CZ 3.91Å; V87-F126 CarbonylContact O-C 3.55Å; V87-F126 WeakPolarHBondContact O-CA 3.46Å; V87-A127 PolarHBondContact N-O 3.13Å; V87-A127 PolarHBondContact O-N 3.48Å; V87-I129 HydrophobicContact CG2-CD1 4Å; V87-I129 HydrophobicContact CG2-CG1 4.35Å; V87-L153 HydrophobicContact CG1-CB 4.46Å; V87-L153 HydrophobicContact CG1-CD1 4.16Å; V87-L153 HydrophobicContact CG1-CD2 4.13Å; V87-L153 HydrophobicContact CG1-CG 4.5Å
88G95.1Very high92.8Very high1 Ų144.3 Ų44.31%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-126.5165.4179.200000114.2V90 G125 K154G88-V90 PolarHBondContact O-N 3.08Å; G88-G125 CarbonylContact C-O 3.59Å; G88-K154 PolarHBondContact N-O 2.66Å; G88-K154 PolarHBondContact O-N 2.96Å
89N94.9Very high93.2Very high84 Ų8441 Ų4145%0.44922%0.222SC..SBendtrans61.627.8-168.5-162.346.4000113.4G125 V152N89-G125 PolarHBondContact N-O 3.27Å; N89-V152 PolarHBondContact ND2-O 3.41Å
90V94.3Very high93.5Very high3 Ų343.5 Ų43.52%0.01823%0.232CC..  trans-62.4148.1173-175.10000109.6V87 G88 A94 L99 G125 R151 L153V87-V90 HydrophobicContact CB-CG2 4.25Å; V87-V90 HydrophobicContact CG1-CG2 3.74Å; G88-V90 PolarHBondContact O-N 3.08Å; V90-A94 HydrophobicContact CG1-CB 3.61Å; V90-L99 HydrophobicContact CG1-CD1 4.29Å; V90-L99 HydrophobicContact CG1-CD2 4.13Å; V90-G125 PolarHBondContact N-O 3.42Å; V90-R151 PolarHBondContact O-NH1 2.99Å; V90-L153 HydrophobicContact CG2-CD2 4.23Å
91D94.4Very high93.7Very high29 Ų2949 Ų4916%0.15526%0.258CS..  trans-66.5150.7174-176.251.5000112.2G93 A94 R149 R151D91-G93 VanDerWaalsContact C-N 3.3Å; D91-G93 PolarHBondContact O-N 2.94Å; D91-G93 PolarHBondContact OD2-N 3.02Å; D91-A94 HydrophobicContact CB-CB 4.44Å; D91-A94 WeakPolarHBondContact O-CB 3.38Å; D91-A94 PolarHBondContact O-N 3.46Å; D91-R149 HydrophobicContact CB-CB 4.18Å; D91-R149 IonicContact OD2-CZ 2.78Å; D91-R149 IonicContact OD2-NE 3.29Å; D91-R149 PolarHBondContact OD2-NE 3.45Å; D91-R149 IonicContact OD2-NH2 3.11Å; D91-R149 PolarHBondContact OD2-NH2 3.35Å; D91-R151 IonicContact OD1-CZ 3.04Å; D91-R151 IonicContact OD1-NE 3.09Å; D91-R151 PolarHBondContact OD1-NE 3.16Å; D91-R151 VanDerWaalsContact OD1-NE 3.09Å; D91-R151 IonicContact OD1-NH1 3.95Å; D91-R151 IonicContact OD1-NH2 2.69Å; D91-R151 PolarHBondContact OD1-NH2 3.25Å
92Y92.3Very high93.9Very high141 Ų14150.2 Ų50.255%0.55326%0.262SS*.THydrogen-bonded Turntrans-75.4-18.2-178.9-61.1-54.7000113.4P123Y92-P123 HydrophobicContact CD1-CG 4.3Å; Y92-P123 WeakPolarHBondContact CD1-O 3.49Å; Y92-P123 VanDerWaalsContact CE1-O 3.31Å; Y92-P123 WeakPolarHBondContact CE1-O 3.41Å; Y92-P123 WeakPolarHBondContact O-CG 3.19Å
93G91.3Very high94Very high43 Ų4346.6 Ų46.644%0.44324%0.243SC..THydrogen-bonded Turntrans-99.713.4173.100000113.9D91 R149D91-G93 VanDerWaalsContact C-N 3.3Å; D91-G93 PolarHBondContact O-N 2.94Å; D91-G93 PolarHBondContact OD2-N 3.02Å; G93-R149 VanDerWaalsContact O-CZ 3.23Å; G93-R149 PolarHBondContact O-NH1 3.43Å; G93-R149 PolarHBondContact O-NH2 2.84Å
94A91.6Very high93.9Very high16 Ų1648.6 Ų48.613%0.13226%0.258CS..  trans-72.8136.1-178.500000111.8V90 D91 E98 F148V90-A94 HydrophobicContact CG1-CB 3.61Å; D91-A94 HydrophobicContact CB-CB 4.44Å; D91-A94 WeakPolarHBondContact O-CB 3.38Å; D91-A94 PolarHBondContact O-N 3.46Å; A94-E98 WeakPolarHBondContact CA-OE2 3.5Å; A94-F148 HydrophobicContact CB-CE1 3.76Å; A94-F148 HydrophobicContact CB-CZ 4.12Å
95T93.9Very high93.8Very high59 Ų5952.3 Ų52.336%0.36230%0.297SS..  trans-90.9169.5172.569.50000111.6D97 E98T95-D97 VanDerWaalsContact C-N 3.35Å; T95-E98 PolarHBondContact N-OE2 3.1Å; T95-E98 WeakPolarHBondContact OG1-CG 3.31Å; T95-E98 PolarHBondContact OG1-N 3.46Å; T95-E98 VanDerWaalsContact OG1-N 3.12Å
96A92.6Very high93.6Very high37 Ų3753.1 Ų53.131%0.30630%0.303SS..Hα-helixtrans-63.5-45.6170.200000110.6E98 L99 E100 V112A96-E98 PolarHBondContact O-N 2.66Å; A96-L99 WeakPolarHBondContact O-CB 3.46Å; A96-L99 PolarHBondContact O-N 2.83Å; A96-E100 PolarHBondContact O-N 3.31Å; A96-V112 HydrophobicContact CB-CB 4.09Å; A96-V112 HydrophobicContact CB-CG1 3.97Å
97D94.6Very high93.4Very high104 Ų10451.2 Ų51.256%0.55630%0.3SS*.Hα-helixtrans-60.8-40.5-176.6-17.6-28000112T95 L99 E100 I101T95-D97 VanDerWaalsContact C-N 3.35Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 3Å; D97-E100 PolarHBondContact O-N 2.85Å; D97-I101 WeakPolarHBondContact O-CB 3.33Å; D97-I101 WeakPolarHBondContact O-CD1 3.46Å; D97-I101 VanDerWaalsContact O-CG1 3.25Å; D97-I101 WeakPolarHBondContact O-CG1 3.42Å; D97-I101 PolarHBondContact O-N 2.84Å
98E94.4Very high93.4Very high65 Ų6554 Ų5430%0.30432%0.318SS..Hα-helixtrans-63.1-37.7174.5-75.7179.5154.600112.6A94 T95 A96 H102 F148 R149A94-E98 WeakPolarHBondContact CA-OE2 3.5Å; T95-E98 PolarHBondContact N-OE2 3.1Å; T95-E98 WeakPolarHBondContact OG1-CG 3.31Å; T95-E98 PolarHBondContact OG1-N 3.46Å; T95-E98 VanDerWaalsContact OG1-N 3.12Å; A96-E98 PolarHBondContact O-N 2.66Å; E98-H102 WeakPolarHBondContact O-CB 3.27Å; E98-H102 PolarHBondContact O-N 3.2Å; E98-H102 VanDerWaalsContact O-N 3.16Å; E98-F148 HydrophobicContact CB-CE2 4.05Å; E98-F148 HydrophobicContact CB-CZ 3.81Å; E98-R149 IonicContact OE1-CZ 3.42Å; E98-R149 IonicContact OE1-NH1 3.29Å; E98-R149 PolarHBondContact OE1-NH1 3.17Å; E98-R149 VanDerWaalsContact OE2-CD 3.28Å; E98-R149 WeakPolarHBondContact OE2-CD 3.26Å; E98-R149 IonicContact OE2-CZ 3.8Å; E98-R149 IonicContact OE2-NE 2.64Å; E98-R149 IonicContact OE2-NH1 2.77Å; E98-R149 PolarHBondContact OE2-NH1 2.92Å
99L93.6Very high93.4Very high0 Ų055.2 Ų55.20%033%0.325CS..Hα-helixtrans-72.4-41176.2-67.4172.4000110.9V90 A96 D97 H102 F103 V112 I114 A127 I129 F148V90-L99 HydrophobicContact CG1-CD1 4.29Å; V90-L99 HydrophobicContact CG1-CD2 4.13Å; A96-L99 WeakPolarHBondContact O-CB 3.46Å; A96-L99 PolarHBondContact O-N 2.83Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 3Å; L99-H102 PolarHBondContact O-N 3.38Å; L99-F103 VanDerWaalsContact O-CD2 3.31Å; L99-F103 WeakPolarHBondContact O-CD2 3.28Å; L99-F103 PolarHBondContact O-N 3.27Å; L99-V112 HydrophobicContact CB-CG1 4.46Å; L99-V112 HydrophobicContact CD1-CG1 4.22Å; L99-I114 HydrophobicContact CD1-CD1 4.13Å; L99-I114 HydrophobicContact CD1-CG1 4.09Å; L99-A127 HydrophobicContact CD1-CB 3.91Å; L99-I129 HydrophobicContact CB-CD1 4.13Å; L99-F148 HydrophobicContact CD2-CE1 4.31Å; L99-F148 HydrophobicContact CD2-CE2 4.34Å; L99-F148 HydrophobicContact CD2-CZ 4.08Å
100E94.4Very high93.3Very high92 Ų9256 Ų5643%0.4333%0.329SS..Hα-helixtrans-58.2-50.2175.4-168.3177.3146.500110.8A96 D97 H102 F103 N104 V109 V112A96-E100 PolarHBondContact O-N 3.31Å; D97-E100 PolarHBondContact O-N 2.85Å; E100-H102 VanDerWaalsContact C-N 3.31Å; E100-H102 PolarHBondContact O-N 2.95Å; E100-F103 PolarHBondContact O-N 3.48Å; E100-N104 VanDerWaalsContact O-CB 3.27Å; E100-N104 WeakPolarHBondContact O-CB 3.33Å; E100-N104 PolarHBondContact O-N 3.11Å; E100-V109 HydrophobicContact CG-CB 4.07Å; E100-V109 HydrophobicContact CG-CG1 4.27Å; E100-V109 HydrophobicContact CG-CG2 4.23Å; E100-V112 HydrophobicContact CB-CG2 4.23Å
101I94.1Very high93.2Very high134 Ų13460.2 Ų60.269%0.68735%0.345SS*.Hα-helixtrans-58.3-40.8176.2-69.2161.9000111.9D97D97-I101 WeakPolarHBondContact O-CB 3.33Å; D97-I101 WeakPolarHBondContact O-CD1 3.46Å; D97-I101 VanDerWaalsContact O-CG1 3.25Å; D97-I101 WeakPolarHBondContact O-CG1 3.42Å; D97-I101 PolarHBondContact O-N 2.84Å
102H93.1Very high93.2Very high52 Ų5260 Ų6024%0.24135%0.345CS..Hα-helixtrans-66.8-34.6178.7-171.194000113E98 L99 E100 T146 F148E98-H102 WeakPolarHBondContact O-CB 3.27Å; E98-H102 PolarHBondContact O-N 3.2Å; E98-H102 VanDerWaalsContact O-N 3.16Å; L99-H102 PolarHBondContact O-N 3.38Å; E100-H102 VanDerWaalsContact C-N 3.31Å; E100-H102 PolarHBondContact O-N 2.95Å; H102-T146 PolarHBondContact NE2-OG1 3.15Å; H102-F148 HydrophobicContact CB-CD2 4.39Å; H102-F148 HydrophobicContact CB-CE2 4.5Å; H102-F148 AromaticContact ND1-CD2 3.87Å
103F94.1Very high93.2Very high0 Ų055.5 Ų55.50%033%0.332CS..Hα-helixtrans-99.8-11.3-177.3-73.8-74.9000115I85 V87 L99 E100 G105 C106 I129 F131 A140 L143 L153 V155I85-F103 HydrophobicContact CD1-CD1 3.92Å; I85-F103 HydrophobicContact CD1-CE1 3.85Å; I85-F103 HydrophobicContact CD1-CG 4.33Å; I85-F103 HydrophobicContact CD1-CZ 4.21Å; V87-F103 HydrophobicContact CG1-CE2 4.25Å; V87-F103 HydrophobicContact CG1-CZ 4.27Å; V87-F103 HydrophobicContact CG2-CE2 3.89Å; V87-F103 HydrophobicContact CG2-CZ 3.91Å; L99-F103 VanDerWaalsContact O-CD2 3.31Å; L99-F103 WeakPolarHBondContact O-CD2 3.28Å; L99-F103 PolarHBondContact O-N 3.27Å; E100-F103 PolarHBondContact O-N 3.48Å; F103-G105 PolarHBondContact O-N 3.06Å; F103-G105 VanDerWaalsContact O-N 3.16Å; F103-C106 WeakPolarHBondContact O-CB 3.42Å; F103-C106 PolarHBondContact O-N 2.83Å; F103-I129 HydrophobicContact CB-CD1 4.4Å; F103-I129 HydrophobicContact CD2-CD1 3.33Å; F103-I129 HydrophobicContact CE2-CD1 3.82Å; F103-I129 HydrophobicContact CG-CD1 4.01Å; F103-F131 HydrophobicContact CB-CE1 4.25Å; F103-F131 HydrophobicContact CB-CZ 4.15Å; F103-A140 HydrophobicContact CD1-CB 3.88Å; F103-A140 HydrophobicContact CE1-CB 4.15Å; F103-L143 HydrophobicContact CD1-CD1 4.08Å; F103-L143 HydrophobicContact CE1-CB 4.22Å; F103-L143 HydrophobicContact CE1-CD1 4.17Å; F103-L153 HydrophobicContact CE2-CD1 4.3Å; F103-L153 HydrophobicContact CZ-CD1 4.23Å; F103-V155 HydrophobicContact CE1-CG2 3.92Å; F103-V155 HydrophobicContact CZ-CG2 3.72Å
104N92.6Very high93.3Very high103 Ų10356 Ų5655%0.55132%0.324SS*.G310 helixtrans-56.1-30.8176.4-176.438.3000112.7E100 C106 G107E100-N104 VanDerWaalsContact O-CB 3.27Å; E100-N104 WeakPolarHBondContact O-CB 3.33Å; E100-N104 PolarHBondContact O-N 3.11Å; N104-C106 PolarHBondContact O-N 2.87Å; N104-G107 PolarHBondContact O-N 2.88Å; N104-G107 VanDerWaalsContact O-N 3.14Å
105G91.1Very high93.3Very high80 Ų8058.1 Ų58.183%0.82533%0.333SS*.G310 helixtrans-65-12173.100000115.2F103F103-G105 PolarHBondContact O-N 3.06Å; F103-G105 VanDerWaalsContact O-N 3.16Å
106C91.3Very high93.1Very high17 Ų1758.8 Ų58.812%0.11534%0.339CS..G310 helixtrans-97.8-13.4174.8-61.60000113.4F103 N104 S136 A140 L143F103-C106 WeakPolarHBondContact O-CB 3.42Å; F103-C106 PolarHBondContact O-N 2.83Å; N104-C106 PolarHBondContact O-N 2.87Å; C106-S136 WeakPolarHBondContact O-CA 3.34Å; C106-S136 WeakPolarHBondContact O-CB 3.31Å; C106-S136 PolarHBondContact O-OG 2.84Å; C106-S136 VanDerWaalsContact O-OG 3.14Å; C106-A140 HydrophobicContact CB-CB 4.06Å; C106-A140 VanDerWaalsContact SG-CA 3.59Å; C106-L143 WeakPolarHBondContact SG-CD1 3.48Å
107G93.4Very high93.1Very high16 Ų1659.9 Ų59.917%0.16534%0.339CS..SBendtrans139175.4179.100000113.6N104 V109N104-G107 PolarHBondContact O-N 2.88Å; N104-G107 VanDerWaalsContact O-N 3.14Å; G107-V109 PolarHBondContact O-N 3.23Å
108P94.5Very high92.7Very high59 Ų5966 Ų6638%0.38336%0.355SS..  trans-66125.3-173.727.2-35.4000112.1F131 S132 D133P108-F131 WeakPolarHBondContact O-CA 3.43Å; P108-S132 PolarHBondContact O-N 2.92Å; P108-D133 WeakPolarHBondContact CG-OD2 3.35Å
109V94.8Very high92.4Very high26 Ų2672 Ų7216%0.15838%0.38CS..EExtended strand (participates in β ladder)trans-85.5128.5174.6176.10000109.2E100 G107 V112 I129 F131E100-V109 HydrophobicContact CG-CB 4.07Å; E100-V109 HydrophobicContact CG-CG1 4.27Å; E100-V109 HydrophobicContact CG-CG2 4.23Å; G107-V109 PolarHBondContact O-N 3.23Å; V109-V112 HydrophobicContact CG1-CG2 3.89Å; V109-I129 HydrophobicContact CB-CG2 4.49Å; V109-I129 HydrophobicContact CG1-CG2 3.75Å; V109-I129 HydrophobicContact CG2-CG2 3.96Å; V109-F131 HydrophobicContact CG2-CD1 3.95Å; V109-F131 HydrophobicContact CG2-CE1 3.76Å
110N93Very high92.1Very high100 Ų10075.1 Ų75.154%0.53540%0.402SS..EExtended strand (participates in β ladder)trans-89.1-37.9172.9-169.739.1000111.3E130N110-E130 HydrophobicContact CB-CG 4.48Å; N110-E130 PolarHBondContact N-O 2.77Å; N110-E130 PolarHBondContact ND2-OE1 3.12Å
111R91.3Very high91.7Very high92 Ų9273.2 Ų73.235%0.34741%0.407SS..EExtended strand (participates in β ladder)trans-159132.1-176.2178.6178.2175.1161.23.1113T113 I129 E130R111-T113 PolarHBondContact NE-OG1 3.4Å; R111-T113 VanDerWaalsContact NE-OG1 3.13Å; R111-I129 WeakPolarHBondContact O-CA 3.33Å; R111-E130 HydrophobicContact CB-CB 4.14Å; R111-E130 PolarHBondContact N-O 2.86Å; R111-E130 PolarHBondContact O-N 2.88Å
112V94.5Very high91.4Very high25 Ų2573 Ų7315%0.15240%0.403CS..EExtended strand (participates in β ladder)trans-99.4143.5164.2-176.70000109.6A96 L99 E100 V109 I114 I129A96-V112 HydrophobicContact CB-CB 4.09Å; A96-V112 HydrophobicContact CB-CG1 3.97Å; L99-V112 HydrophobicContact CB-CG1 4.46Å; L99-V112 HydrophobicContact CD1-CG1 4.22Å; E100-V112 HydrophobicContact CB-CG2 4.23Å; V109-V112 HydrophobicContact CG1-CG2 3.89Å; V112-I114 HydrophobicContact CG1-CG1 4.43Å; V112-I129 HydrophobicContact CG1-CG1 4.33Å; V112-I129 HydrophobicContact CG2-CG1 4.36Å; V112-I129 HydrophobicContact CG2-CG2 4.42Å
113T93.1Very high91.3Very high45 Ų4572.4 Ų72.428%0.27640%0.403SS..EExtended strand (participates in β ladder)trans-146.3101.4175.2-67.40000110.5R111 L115 A127 Y128R111-T113 PolarHBondContact NE-OG1 3.4Å; R111-T113 VanDerWaalsContact NE-OG1 3.13Å; T113-L115 HydrophobicContact CG2-CD1 4.28Å; T113-A127 WeakPolarHBondContact O-CA 3.4Å; T113-Y128 PolarHBondContact N-O 2.64Å; T113-Y128 PolarHBondContact O-N 2.95Å
114I93.8Very high91.1Very high53 Ų5378.4 Ų78.427%0.27243%0.43SS..EExtended strand (participates in β ladder)trans-79132.4175.4-58.5175.4000109.1L99 V112 P123 A127L99-I114 HydrophobicContact CD1-CD1 4.13Å; L99-I114 HydrophobicContact CD1-CG1 4.09Å; V112-I114 HydrophobicContact CG1-CG1 4.43Å; I114-P123 HydrophobicContact CG2-CB 4.33Å; I114-A127 HydrophobicContact CG1-CB 4.14Å
115L91.1Very high91.1Very high62 Ų6273.8 Ų73.833%0.32541%0.406SS..EExtended strand (participates in β ladder)trans-90.8109.6178.5-107.465.7000111T113 K124 F126 Y128T113-L115 HydrophobicContact CG2-CD1 4.28Å; L115-K124 WeakPolarHBondContact O-CB 3.49Å; L115-K124 PolarHBondContact O-N 3Å; L115-F126 PolarHBondContact N-O 3.13Å; L115-Y128 HydrophobicContact CD1-CD2 3.77Å; L115-Y128 HydrophobicContact CD1-CE2 3.71Å; L115-Y128 HydrophobicContact CD2-CE2 3.93Å; L115-Y128 HydrophobicContact CG-CE2 4.47Å
116C90.6Very high91.2Very high72 Ų7273.2 Ų73.249%0.48638%0.381SS..EExtended strand (participates in β ladder)trans-90.1153.7166.2-60.60000111.7H122C116-H122 CarbonylContact C-O 3.6Å; C116-H122 WeakPolarHBondContact CA-O 3.21Å
117D90.8Very high91.4Very high60 Ų6072.4 Ų72.432%0.32138%0.375SS..  trans-71.9137.7167.6169.751.9000110.9F119 S120 G121 H122D117-F119 VanDerWaalsContact C-N 3.32Å; D117-F119 PolarHBondContact O-N 3.17Å; D117-F119 PolarHBondContact OD2-N 3.41Å; D117-S120 WeakPolarHBondContact CB-OG 3.29Å; D117-S120 WeakPolarHBondContact OD2-CB 3.31Å; D117-S120 PolarHBondContact OD2-N 3.36Å; D117-S120 PolarHBondContact OD2-OG 3.27Å; D117-G121 WeakPolarHBondContact O-CA 3.37Å; D117-G121 PolarHBondContact O-N 3.41Å; D117-H122 PolarHBondContact N-O 3.02Å
118R87.9Confident91.5Very high232 Ų23274.9 Ų74.988%0.87538%0.38SS*.THydrogen-bonded Turntrans-71.6-24.9-174.9-175.1175.4178.4-174.10.2113.4
119F87Confident91.5Very high192 Ų19272 Ų7284%0.84236%0.362SS*.THydrogen-bonded Turntrans-95.4-40.6-173.1-57.8-77.9000112.7D117D117-F119 VanDerWaalsContact C-N 3.32Å; D117-F119 PolarHBondContact O-N 3.17Å; D117-F119 PolarHBondContact OD2-N 3.41Å
120S88Confident91.5Very high66 Ų6672.4 Ų72.446%0.46236%0.362SS..THydrogen-bonded Turntrans-95.1-15.3178.461.90000114D117 H122D117-S120 WeakPolarHBondContact CB-OG 3.29Å; D117-S120 WeakPolarHBondContact OD2-CB 3.31Å; D117-S120 PolarHBondContact OD2-N 3.36Å; D117-S120 PolarHBondContact OD2-OG 3.27Å; S120-H122 PolarHBondContact O-N 3.48Å; S120-H122 VanDerWaalsContact O-N 3.09Å; S120-H122 PolarHBondContact O-ND1 3.25Å; S120-H122 PolarHBondContact OG-N 2.96Å
121G86.8Confident91.7Very high51 Ų5167.6 Ų67.653%0.52634%0.336SS..  trans69.4-5.6-171.600000114.6D117D117-G121 WeakPolarHBondContact O-CA 3.37Å; D117-G121 PolarHBondContact O-N 3.41Å
122H87.2Confident91.8Very high131 Ų13165.5 Ų65.561%0.60634%0.336SS*.  trans-74.9139.9-173.9-73.351.1000111.2C116 D117 S120 K124C116-H122 CarbonylContact C-O 3.6Å; C116-H122 WeakPolarHBondContact CA-O 3.21Å; D117-H122 PolarHBondContact N-O 3.02Å; S120-H122 PolarHBondContact O-N 3.48Å; S120-H122 VanDerWaalsContact O-N 3.09Å; S120-H122 PolarHBondContact O-ND1 3.25Å; S120-H122 PolarHBondContact OG-N 2.96Å; H122-K124 PolarHBondContact O-N 3.26Å
123P90.8Very high91.7Very high38 Ų3868.3 Ų68.325%0.24735%0.35CS..EExtended strand (participates in β ladder)trans-62.8136.4175.622.1-28.8000110.9Y92 I114 G125Y92-P123 HydrophobicContact CD1-CG 4.3Å; Y92-P123 WeakPolarHBondContact CD1-O 3.49Å; Y92-P123 VanDerWaalsContact CE1-O 3.31Å; Y92-P123 WeakPolarHBondContact CE1-O 3.41Å; Y92-P123 WeakPolarHBondContact O-CG 3.19Å; I114-P123 HydrophobicContact CG2-CB 4.33Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.79Å
124K90.1Very high91.7Very high127 Ų12772.9 Ų72.955%0.55236%0.362SS*.EExtended strand (participates in β ladder)trans-84.41.6-171.9-156177.5177.5174.80113.6L115 H122 F126L115-K124 WeakPolarHBondContact O-CB 3.49Å; L115-K124 PolarHBondContact O-N 3Å; H122-K124 PolarHBondContact O-N 3.26Å; K124-F126 VanDerWaalsContact C-N 3.33Å; K124-F126 HydrophobicContact CB-CD2 3.95Å; K124-F126 HydrophobicContact CD-CD2 4Å; K124-F126 HydrophobicContact CD-CE2 4.31Å; K124-F126 HydrophobicContact CG-CD2 3.74Å; K124-F126 HydrophobicContact CG-CE2 3.93Å; K124-F126 WeakPolarHBondContact O-CD2 3Å; K124-F126 VanDerWaalsContact O-CE2 3.25Å; K124-F126 WeakPolarHBondContact O-CE2 3.45Å
125G92.1Very high91.6Very high5 Ų575.8 Ų75.85%0.05238%0.378CS..EExtended strand (participates in β ladder)trans74.420.4-172.800000114G88 N89 V90 P123G88-G125 CarbonylContact C-O 3.59Å; N89-G125 PolarHBondContact N-O 3.27Å; V90-G125 PolarHBondContact N-O 3.42Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.79Å
126F93.8Very high91.8Very high68 Ų6873.2 Ų73.230%0.29837%0.365SS..EExtended strand (participates in β ladder)trans-133.8140.3-179.5-53.4-61.5000111Y86 V87 L115 K124Y86-F126 HydrophobicContact CE2-CB 4.21Å; Y86-F126 AromaticContact CE2-CD1 3.79Å; Y86-F126 HydrophobicContact CE2-CD1 3.79Å; Y86-F126 HydrophobicContact CE2-CG 4.17Å; Y86-F126 AromaticContact CZ-CD1 3.64Å; Y86-F126 WeakPolarHBondContact OH-CD1 3.43Å; Y86-F126 WeakPolarHBondContact OH-CE1 3.49Å; V87-F126 CarbonylContact O-C 3.55Å; V87-F126 WeakPolarHBondContact O-CA 3.46Å; L115-F126 PolarHBondContact N-O 3.13Å; K124-F126 VanDerWaalsContact C-N 3.33Å; K124-F126 HydrophobicContact CB-CD2 3.95Å; K124-F126 HydrophobicContact CD-CD2 4Å; K124-F126 HydrophobicContact CD-CE2 4.31Å; K124-F126 HydrophobicContact CG-CD2 3.74Å; K124-F126 HydrophobicContact CG-CE2 3.93Å; K124-F126 WeakPolarHBondContact O-CD2 3Å; K124-F126 VanDerWaalsContact O-CE2 3.25Å; K124-F126 WeakPolarHBondContact O-CE2 3.45Å
127A94.8Very high92Very high0 Ų070.2 Ų70.20%035%0.345CS..EExtended strand (participates in β ladder)trans-135.9156.1173.500000110.7V87 L99 T113 I114V87-A127 PolarHBondContact N-O 3.13Å; V87-A127 PolarHBondContact O-N 3.48Å; L99-A127 HydrophobicContact CD1-CB 3.91Å; T113-A127 WeakPolarHBondContact O-CA 3.4Å; I114-A127 HydrophobicContact CG1-CB 4.14Å
128Y95.2Very high92.1Very high68 Ų6874 Ų7427%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-110.3142.6162-60-72.7000108.8I85 Y86 T113 L115 K158I85-Y128 WeakPolarHBondContact O-CA 3.41Å; Y86-Y128 HydrophobicContact CD2-CD1 4.45Å; Y86-Y128 AromaticContact CD2-CE1 3.81Å; Y86-Y128 HydrophobicContact CD2-CE1 3.81Å; Y86-Y128 HydrophobicContact CG-CE1 4.42Å; T113-Y128 PolarHBondContact N-O 2.64Å; T113-Y128 PolarHBondContact O-N 2.95Å; L115-Y128 HydrophobicContact CD1-CD2 3.77Å; L115-Y128 HydrophobicContact CD1-CE2 3.71Å; L115-Y128 HydrophobicContact CD2-CE2 3.93Å; L115-Y128 HydrophobicContact CG-CE2 4.47Å; Y128-K158 HydrophobicContact CD1-CD 3.81Å; Y128-K158 HydrophobicContact CD1-CG 3.81Å; Y128-K158 HydrophobicContact CE1-CD 4.31Å; Y128-K158 HydrophobicContact CE1-CG 3.9Å; Y128-K158 HydrophobicContact CG-CD 4.38Å
129I95.2Very high92.4Very high0 Ų066 Ų660%034%0.34CS..EExtended strand (participates in β ladder)trans-128.4126.2173.7-56178.8000106.6S84 I85 V87 L99 F103 V109 R111 V112 F131S84-I129 CarbonylContact C-O 3.46Å; S84-I129 WeakPolarHBondContact CA-O 3.15Å; S84-I129 WeakPolarHBondContact CB-O 3.31Å; I85-I129 HydrophobicContact CD1-CB 4.12Å; I85-I129 HydrophobicContact CD1-CD1 4.33Å; I85-I129 HydrophobicContact CG1-CB 3.77Å; I85-I129 PolarHBondContact N-O 2.87Å; I85-I129 PolarHBondContact O-N 2.85Å; I85-I129 VanDerWaalsContact O-N 3.13Å; V87-I129 HydrophobicContact CG2-CD1 4Å; V87-I129 HydrophobicContact CG2-CG1 4.35Å; L99-I129 HydrophobicContact CB-CD1 4.13Å; F103-I129 HydrophobicContact CB-CD1 4.4Å; F103-I129 HydrophobicContact CD2-CD1 3.33Å; F103-I129 HydrophobicContact CE2-CD1 3.82Å; F103-I129 HydrophobicContact CG-CD1 4.01Å; V109-I129 HydrophobicContact CB-CG2 4.49Å; V109-I129 HydrophobicContact CG1-CG2 3.75Å; V109-I129 HydrophobicContact CG2-CG2 3.96Å; R111-I129 WeakPolarHBondContact O-CA 3.33Å; V112-I129 HydrophobicContact CG1-CG1 4.33Å; V112-I129 HydrophobicContact CG2-CG1 4.36Å; V112-I129 HydrophobicContact CG2-CG2 4.42Å; I129-F131 HydrophobicContact CG2-CE1 4.33Å; I129-F131 HydrophobicContact CG2-CE2 4.46Å; I129-F131 HydrophobicContact CG2-CZ 4.16Å
130E94.9Very high92.8Very high33 Ų3356.9 Ų56.915%0.15430%0.3CS..EExtended strand (participates in β ladder)trans-104.4124.7178.7-172.7-172.4130.100108A80 N110 R111A80-E130 HydrophobicContact CB-CG 4.44Å; N110-E130 HydrophobicContact CB-CG 4.48Å; N110-E130 PolarHBondContact N-O 2.77Å; N110-E130 PolarHBondContact ND2-OE1 3.12Å; R111-E130 HydrophobicContact CB-CB 4.14Å; R111-E130 PolarHBondContact N-O 2.86Å; R111-E130 PolarHBondContact O-N 2.88Å
131F96Very high93Very high0 Ų056.5 Ų56.50%029%0.292CS..EExtended strand (participates in β ladder)trans-97.5159.1176.2-62.3-79.9000111R83 I85 F103 P108 V109 I129 D133 V137 A140R83-F131 PolarHBondContact O-N 3.29Å; I85-F131 HydrophobicContact CD1-CE2 3.77Å; I85-F131 HydrophobicContact CD1-CZ 3.91Å; I85-F131 HydrophobicContact CG1-CE2 3.82Å; I85-F131 HydrophobicContact CG1-CZ 4.41Å; I85-F131 HydrophobicContact CG2-CE2 4.04Å; F103-F131 HydrophobicContact CB-CE1 4.25Å; F103-F131 HydrophobicContact CB-CZ 4.15Å; P108-F131 WeakPolarHBondContact O-CA 3.43Å; V109-F131 HydrophobicContact CG2-CD1 3.95Å; V109-F131 HydrophobicContact CG2-CE1 3.76Å; I129-F131 HydrophobicContact CG2-CE1 4.33Å; I129-F131 HydrophobicContact CG2-CE2 4.46Å; I129-F131 HydrophobicContact CG2-CZ 4.16Å; F131-D133 VanDerWaalsContact C-N 3.26Å; F131-D133 PolarHBondContact O-N 2.81Å; F131-V137 HydrophobicContact CD2-CG2 4.15Å; F131-A140 HydrophobicContact CE2-CB 3.87Å; F131-A140 HydrophobicContact CZ-CB 3.74Å
132S93.9Very high93.3Very high48 Ų4856.6 Ų56.634%0.33629%0.293SS..SBendtrans-64.3-35.5169.8-51.40000111.5R83 P108R83-S132 WeakPolarHBondContact CD-O 3.43Å; R83-S132 PolarHBondContact NH1-O 3.02Å; P108-S132 PolarHBondContact O-N 2.92Å
133D93.2Very high93.5Very high83 Ų8352.7 Ų52.744%0.44428%0.276SS..SBendtrans-113.7148.4-171.5-59-62.2000113.2P108 F131P108-D133 WeakPolarHBondContact CG-OD2 3.35Å; F131-D133 VanDerWaalsContact C-N 3.26Å; F131-D133 PolarHBondContact O-N 2.81Å
134R91.9Very high93.7Very high141 Ų14155.9 Ų55.953%0.53229%0.288SS..SBendtrans-71.4-29.6175.8-72.3-178.5176.2-167.33112.9D79 R83 V137D79-R134 IonicContact OD1-CZ 2.56Å; D79-R134 VanDerWaalsContact OD1-CZ 3.29Å; D79-R134 IonicContact OD1-NE 3.16Å; D79-R134 PolarHBondContact OD1-NE 3.08Å; D79-R134 VanDerWaalsContact OD1-NE 3.11Å; D79-R134 IonicContact OD1-NH2 2.72Å; D79-R134 PolarHBondContact OD1-NH2 2.91Å; R83-R134 HydrophobicContact CG-CB 4.34Å; R83-R134 HydrophobicContact CG-CG 3.41Å; R83-R134 VanDerWaalsContact CG-CG 3.41Å; R134-V137 WeakPolarHBondContact O-CB 3.44Å; R134-V137 PolarHBondContact O-N 3.06Å
135D93.3Very high93.9Very high114 Ų11456.7 Ų56.761%0.6129%0.293SS*.Hα-helixtrans-74.8-28-176.7-63.1-41000112.6V137 Q138 S139D135-V137 PolarHBondContact O-N 2.76Å; D135-Q138 WeakPolarHBondContact O-CB 3.4Å; D135-Q138 PolarHBondContact O-N 3.1Å; D135-S139 PolarHBondContact O-N 2.71Å; D135-S139 VanDerWaalsContact O-N 3.15Å
136S94.1Very high93.9Very high8 Ų858.2 Ų58.26%0.05630%0.302CS..Hα-helixtrans-58.4-29171.6-590000113.2C106 Q138 S139 A140C106-S136 WeakPolarHBondContact O-CA 3.34Å; C106-S136 WeakPolarHBondContact O-CB 3.31Å; C106-S136 PolarHBondContact O-OG 2.84Å; C106-S136 VanDerWaalsContact O-OG 3.14Å; S136-Q138 VanDerWaalsContact C-N 3.33Å; S136-Q138 PolarHBondContact O-N 2.84Å; S136-S139 PolarHBondContact O-N 3.34Å; S136-A140 VanDerWaalsContact O-CB 3.27Å; S136-A140 WeakPolarHBondContact O-CB 3.29Å; S136-A140 PolarHBondContact O-N 3.37Å
137V94.1Very high93.9Very high10 Ų1059.8 Ų59.86%0.06132%0.317CS..Hα-helixtrans-62-40.6172.5-178.60000110.9R83 I85 F131 R134 D135 I141 P157R83-V137 VanDerWaalsContact C-CG2 3.46Å; R83-V137 WeakPolarHBondContact O-CG2 3.46Å; I85-V137 HydrophobicContact CG2-CB 4.45Å; I85-V137 HydrophobicContact CG2-CG1 3.85Å; F131-V137 HydrophobicContact CD2-CG2 4.15Å; R134-V137 WeakPolarHBondContact O-CB 3.44Å; R134-V137 PolarHBondContact O-N 3.06Å; D135-V137 PolarHBondContact O-N 2.76Å; V137-I141 HydrophobicContact CG1-CD1 4.08Å; V137-I141 WeakPolarHBondContact O-CD1 3.37Å; V137-I141 WeakPolarHBondContact O-CG1 3.46Å; V137-I141 PolarHBondContact O-N 3.16Å; V137-P157 HydrophobicContact CG1-CB 4.28Å
138Q93.8Very high93.8Very high138 Ų13860.5 Ų60.565%0.64532%0.32SS*.Hα-helixtrans-69.4-44.9178-55.5-170.246.600110.9D135 S136 A140 I141 G142D135-Q138 WeakPolarHBondContact O-CB 3.4Å; D135-Q138 PolarHBondContact O-N 3.1Å; S136-Q138 VanDerWaalsContact C-N 3.33Å; S136-Q138 PolarHBondContact O-N 2.84Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 2.94Å; Q138-I141 PolarHBondContact O-N 2.86Å; Q138-G142 PolarHBondContact O-N 3.31Å; Q138-G142 VanDerWaalsContact O-N 3.17Å
139S94.4Very high93.6Very high65 Ų6562.8 Ų62.846%0.45533%0.328SS..Hα-helixtrans-57.6-43.3174.2-61.70000112.2D135 S136 G142D135-S139 PolarHBondContact O-N 2.71Å; D135-S139 VanDerWaalsContact O-N 3.15Å; S136-S139 PolarHBondContact O-N 3.34Å; S139-G142 VanDerWaalsContact O-CA 3.31Å; S139-G142 WeakPolarHBondContact O-CA 3.13Å; S139-G142 PolarHBondContact O-N 3.37Å
140A94.2Very high93.4Very high0 Ų066.2 Ų66.20%036%0.363CS..Hα-helixtrans-72.5-30.6179.400000113.4I85 F103 C106 F131 S136 Q138 G142 L143 V155I85-A140 HydrophobicContact CD1-CB 3.88Å; I85-A140 HydrophobicContact CG2-CB 4.17Å; F103-A140 HydrophobicContact CD1-CB 3.88Å; F103-A140 HydrophobicContact CE1-CB 4.15Å; C106-A140 HydrophobicContact CB-CB 4.06Å; C106-A140 VanDerWaalsContact SG-CA 3.59Å; F131-A140 HydrophobicContact CE2-CB 3.87Å; F131-A140 HydrophobicContact CZ-CB 3.74Å; S136-A140 VanDerWaalsContact O-CB 3.27Å; S136-A140 WeakPolarHBondContact O-CB 3.29Å; S136-A140 PolarHBondContact O-N 3.37Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 2.94Å; A140-G142 PolarHBondContact O-N 2.88Å; A140-L143 WeakPolarHBondContact O-CB 3.31Å; A140-L143 PolarHBondContact O-N 3.05Å; A140-V155 WeakPolarHBondContact O-CG1 3.19Å
141I94.2Very high93.3Very high59 Ų5967.9 Ų67.930%0.30337%0.369SS..Hα-helixtrans-61.9-29166.6-69.6160.4000110.5V137 Q138 L143 H144 P157V137-I141 HydrophobicContact CG1-CD1 4.08Å; V137-I141 WeakPolarHBondContact O-CD1 3.37Å; V137-I141 WeakPolarHBondContact O-CG1 3.46Å; V137-I141 PolarHBondContact O-N 3.16Å; Q138-I141 PolarHBondContact O-N 2.86Å; I141-L143 PolarHBondContact O-N 2.82Å; I141-H144 WeakPolarHBondContact O-CB 3.2Å; I141-H144 PolarHBondContact O-N 2.86Å; I141-H144 VanDerWaalsContact O-N 3.1Å; I141-H144 PolarHBondContact O-ND1 2.69Å; I141-P157 HydrophobicContact CD1-CB 4.2Å; I141-P157 HydrophobicContact CD1-CG 4.17Å
142G93Very high93.3Very high52 Ų5271.4 Ų71.454%0.53639%0.39SS..THydrogen-bonded Turntrans-58.1-25.5168.300000114.5Q138 S139 A140 H144Q138-G142 PolarHBondContact O-N 3.31Å; Q138-G142 VanDerWaalsContact O-N 3.17Å; S139-G142 VanDerWaalsContact O-CA 3.31Å; S139-G142 WeakPolarHBondContact O-CA 3.13Å; S139-G142 PolarHBondContact O-N 3.37Å; A140-G142 PolarHBondContact O-N 2.88Å; G142-H144 VanDerWaalsContact C-N 3.34Å
143L91.5Very high93.4Very high49 Ų4969.1 Ų69.126%0.25737%0.374SS..THydrogen-bonded Turntrans-90.716.6175.3-56.8-173.7000113.9F103 C106 A140 I141 T146F103-L143 HydrophobicContact CD1-CD1 4.08Å; F103-L143 HydrophobicContact CE1-CB 4.22Å; F103-L143 HydrophobicContact CE1-CD1 4.17Å; C106-L143 WeakPolarHBondContact SG-CD1 3.48Å; A140-L143 WeakPolarHBondContact O-CB 3.31Å; A140-L143 PolarHBondContact O-N 3.05Å; I141-L143 PolarHBondContact O-N 2.82Å; L143-T146 HydrophobicContact CB-CG2 3.93Å; L143-T146 HydrophobicContact CD2-CG2 4.12Å; L143-T146 WeakPolarHBondContact O-CB 3.4Å; L143-T146 VanDerWaalsContact O-CG2 3.31Å; L143-T146 WeakPolarHBondContact O-CG2 3.48Å; L143-T146 PolarHBondContact O-N 3.46Å; L143-T146 PolarHBondContact O-OG1 3.04Å
144H93.9Very high93.5Very high106 Ų10671 Ų7149%0.49138%0.378SS..THydrogen-bonded Turntrans-57.1144.116871.8-78.4000111.1I141 G142 T146 V155I141-H144 WeakPolarHBondContact O-CB 3.2Å; I141-H144 PolarHBondContact O-N 2.86Å; I141-H144 VanDerWaalsContact O-N 3.1Å; I141-H144 PolarHBondContact O-ND1 2.69Å; G142-H144 VanDerWaalsContact C-N 3.34Å; H144-T146 PolarHBondContact O-N 3.09Å; H144-T146 VanDerWaalsContact O-N 3.08Å; H144-V155 HydrophobicContact CB-CB 4.49Å
145E93.6Very high93.7Very high143 Ų14364.5 Ų64.567%0.66835%0.354SS*.THydrogen-bonded Turntrans6113.8179.8-56.4-173.8174.400115.4V152 L153E145-V152 HydrophobicContact CB-CG1 3.87Å; E145-V152 HydrophobicContact CG-CG1 4.16Å; E145-L153 VanDerWaalsContact CA-O 3.29Å; E145-L153 WeakPolarHBondContact CA-O 3.02Å; E145-L153 PolarHBondContact N-O 3.36Å
146T93.4Very high93.8Very high38 Ų3862.8 Ų62.823%0.23334%0.344CS..  trans-65.8147167.653.70000111.9H102 L143 H144 L153H102-T146 PolarHBondContact NE2-OG1 3.15Å; L143-T146 HydrophobicContact CB-CG2 3.93Å; L143-T146 HydrophobicContact CD2-CG2 4.12Å; L143-T146 WeakPolarHBondContact O-CB 3.4Å; L143-T146 VanDerWaalsContact O-CG2 3.31Å; L143-T146 WeakPolarHBondContact O-CG2 3.48Å; L143-T146 PolarHBondContact O-N 3.46Å; L143-T146 PolarHBondContact O-OG1 3.04Å; H144-T146 PolarHBondContact O-N 3.09Å; H144-T146 VanDerWaalsContact O-N 3.08Å; T146-L153 PolarHBondContact O-N 3.09Å
147V93.5Very high93.8Very high101 Ų10165.7 Ų65.761%0.61236%0.363SS*.EExtended strand (participates in β ladder)trans-90.4120.5179.9-178.50000110.2R151 V152V147-R151 CarbonylContact C-O 3.58Å; V147-R151 WeakPolarHBondContact CA-O 3.02Å; V147-V152 HydrophobicContact CG2-CG2 4.3Å
148F92.9Very high93.7Very high15 Ų1567.5 Ų67.57%0.06637%0.37CS..EExtended strand (participates in β ladder)trans-124.3124.4176.6174.8-90.6000109.3A94 E98 L99 H102 G150 R151 L153A94-F148 HydrophobicContact CB-CE1 3.76Å; A94-F148 HydrophobicContact CB-CZ 4.12Å; E98-F148 HydrophobicContact CB-CE2 4.05Å; E98-F148 HydrophobicContact CB-CZ 3.81Å; L99-F148 HydrophobicContact CD2-CE1 4.31Å; L99-F148 HydrophobicContact CD2-CE2 4.34Å; L99-F148 HydrophobicContact CD2-CZ 4.08Å; H102-F148 HydrophobicContact CB-CD2 4.39Å; H102-F148 HydrophobicContact CB-CE2 4.5Å; H102-F148 AromaticContact ND1-CD2 3.87Å; F148-G150 PolarHBondContact O-N 3.5Å; F148-R151 PolarHBondContact N-O 2.81Å; F148-R151 PolarHBondContact O-N 2.86Å; F148-R151 VanDerWaalsContact O-O 3.13Å; F148-L153 HydrophobicContact CB-CD1 3.62Å; F148-L153 HydrophobicContact CB-CD2 3.93Å; F148-L153 HydrophobicContact CB-CG 3.62Å; F148-L153 HydrophobicContact CD1-CD2 4.3Å; F148-L153 HydrophobicContact CG-CD1 4.16Å; F148-L153 HydrophobicContact CG-CD2 4.38Å; F148-L153 HydrophobicContact CG-CG 4.44Å
149R90.4Very high93.3Very high115 Ų11568 Ų6843%0.43437%0.366SS..THydrogen-bonded Turntrans46.638.3-178.5-67.8177.751.3151.7-10.9113.8D91 G93 E98D91-R149 HydrophobicContact CB-CB 4.18Å; D91-R149 IonicContact OD2-CZ 2.78Å; D91-R149 IonicContact OD2-NE 3.29Å; D91-R149 PolarHBondContact OD2-NE 3.45Å; D91-R149 IonicContact OD2-NH2 3.11Å; D91-R149 PolarHBondContact OD2-NH2 3.35Å; G93-R149 VanDerWaalsContact O-CZ 3.23Å; G93-R149 PolarHBondContact O-NH1 3.43Å; G93-R149 PolarHBondContact O-NH2 2.84Å; E98-R149 IonicContact OE1-CZ 3.42Å; E98-R149 IonicContact OE1-NH1 3.29Å; E98-R149 PolarHBondContact OE1-NH1 3.17Å; E98-R149 VanDerWaalsContact OE2-CD 3.28Å; E98-R149 WeakPolarHBondContact OE2-CD 3.26Å; E98-R149 IonicContact OE2-CZ 3.8Å; E98-R149 IonicContact OE2-NE 2.64Å; E98-R149 IonicContact OE2-NH1 2.77Å; E98-R149 PolarHBondContact OE2-NH1 2.92Å
150G91.5Very high92.7Very high72 Ų7267 Ų6774%0.74236%0.358SS*.THydrogen-bonded Turntrans80.34-179.900000115.9F148F148-G150 PolarHBondContact O-N 3.5Å
151R93Very high91.6Very high69 Ų6973.9 Ų73.926%0.2639%0.394SS..EExtended strand (participates in β ladder)trans-113.9144.5175.4-57.8-172.9-169.8-166.42.7111V90 D91 V147 F148V90-R151 PolarHBondContact O-NH1 2.99Å; D91-R151 IonicContact OD1-CZ 3.04Å; D91-R151 IonicContact OD1-NE 3.09Å; D91-R151 PolarHBondContact OD1-NE 3.16Å; D91-R151 VanDerWaalsContact OD1-NE 3.09Å; D91-R151 IonicContact OD1-NH1 3.95Å; D91-R151 IonicContact OD1-NH2 2.69Å; D91-R151 PolarHBondContact OD1-NH2 3.25Å; V147-R151 CarbonylContact C-O 3.58Å; V147-R151 WeakPolarHBondContact CA-O 3.02Å; F148-R151 PolarHBondContact N-O 2.81Å; F148-R151 PolarHBondContact O-N 2.86Å; F148-R151 VanDerWaalsContact O-O 3.13Å
152V95.6Very high90.2Very high73 Ų7375.8 Ų75.844%0.44240%0.403SS..EExtended strand (participates in β ladder)trans-79.3119174.2176.40000109.1N89 E145 V147N89-V152 PolarHBondContact ND2-O 3.41Å; E145-V152 HydrophobicContact CB-CG1 3.87Å; E145-V152 HydrophobicContact CG-CG1 4.16Å; V147-V152 HydrophobicContact CG2-CG2 4.3Å
153L95.6Very high88.5Confident1 Ų179.5 Ų79.51%0.00542%0.418CS..  trans-77140.9178.8-66.9-174.9000111.9V87 V90 F103 E145 T146 F148V87-L153 HydrophobicContact CG1-CB 4.46Å; V87-L153 HydrophobicContact CG1-CD1 4.16Å; V87-L153 HydrophobicContact CG1-CD2 4.13Å; V87-L153 HydrophobicContact CG1-CG 4.5Å; V90-L153 HydrophobicContact CG2-CD2 4.23Å; F103-L153 HydrophobicContact CE2-CD1 4.3Å; F103-L153 HydrophobicContact CZ-CD1 4.23Å; E145-L153 VanDerWaalsContact CA-O 3.29Å; E145-L153 WeakPolarHBondContact CA-O 3.02Å; E145-L153 PolarHBondContact N-O 3.36Å; T146-L153 PolarHBondContact O-N 3.09Å; F148-L153 HydrophobicContact CB-CD1 3.62Å; F148-L153 HydrophobicContact CB-CD2 3.93Å; F148-L153 HydrophobicContact CB-CG 3.62Å; F148-L153 HydrophobicContact CD1-CD2 4.3Å; F148-L153 HydrophobicContact CG-CD1 4.16Å; F148-L153 HydrophobicContact CG-CD2 4.38Å; F148-L153 HydrophobicContact CG-CG 4.44Å
154K95.7Very high87.1Confident122 Ų12281.3 Ų81.353%0.5345%0.448SS..EExtended strand (participates in β ladder)trans-106.996.9171.2-178.2164.8-176.1158.30110.3G88G88-K154 PolarHBondContact N-O 2.66Å; G88-K154 PolarHBondContact O-N 2.96Å
155V95.8Very high85.5Confident4 Ų481.5 Ų81.52%0.02445%0.452CS..EExtended strand (participates in β ladder)trans-90.3135.1174.7-169.20000110.1I85 Y86 F103 A140 H144I85-V155 HydrophobicContact CB-CG1 4.17Å; I85-V155 HydrophobicContact CD1-CG1 3.98Å; I85-V155 HydrophobicContact CG2-CG1 4.18Å; Y86-V155 WeakPolarHBondContact O-CA 3.25Å; F103-V155 HydrophobicContact CE1-CG2 3.92Å; F103-V155 HydrophobicContact CZ-CG2 3.72Å; A140-V155 WeakPolarHBondContact O-CG1 3.19Å; H144-V155 HydrophobicContact CB-CB 4.49Å
156L95Very high83.7Confident79 Ų7977.9 Ų77.941%0.41444%0.442SS..EExtended strand (participates in β ladder)trans-144.8157.5172.4-67.7175.3000109I85 Y86I85-L156 CarbonylContact C-O 3.58Å; I85-L156 WeakPolarHBondContact CA-O 3.27Å; Y86-L156 HydrophobicContact CD1-CB 4.16Å; Y86-L156 HydrophobicContact CD1-CD1 4.35Å; Y86-L156 PolarHBondContact N-O 2.88Å; Y86-L156 PolarHBondContact O-N 3.42Å
157P93.8Very high82Confident68 Ų6880 Ų8044%0.44246%0.455SS..EExtended strand (participates in β ladder)trans-61.7144.2165.927.5-33000110.2V137 I141V137-P157 HydrophobicContact CG1-CB 4.28Å; I141-P157 HydrophobicContact CD1-CB 4.2Å; I141-P157 HydrophobicContact CD1-CG 4.17Å
158K92.9Very high80.2Confident49 Ų4979.1 Ų79.121%0.21345%0.45CS..  trans-66149.5174.8-169.6179-178.4-164.70109.5D81 S84 Y128D81-K158 HydrophobicContact CB-CD 4.43Å; D81-K158 WeakPolarHBondContact OD1-CE 3.34Å; D81-K158 IonicContact OD1-NZ 2.81Å; D81-K158 PolarHBondContact OD1-NZ 2.81Å; S84-K158 VanDerWaalsContact O-CB 3.29Å; S84-K158 WeakPolarHBondContact O-CB 3.21Å; S84-K158 PolarHBondContact O-N 3.11Å; S84-K158 PolarHBondContact OG-NZ 2.88Å; Y128-K158 HydrophobicContact CD1-CD 3.81Å; Y128-K158 HydrophobicContact CD1-CG 3.81Å; Y128-K158 HydrophobicContact CE1-CD 4.31Å; Y128-K158 HydrophobicContact CE1-CG 3.9Å; Y128-K158 HydrophobicContact CG-CD 4.38Å
159R85.8Confident78.4Confident147 Ų14785 Ų8556%0.55548%0.482SS*.  trans-104.4120.8178.2-59.3178.786.4-145.913108.9N161 T167R159-N161 PolarHBondContact O-N 3.26Å; R159-T167 VanDerWaalsContact CZ-OG1 3.26Å; R159-T167 PolarHBondContact NH1-O 3.01Å; R159-T167 PolarHBondContact NH1-OG1 3.01Å; R159-T167 PolarHBondContact NH2-O 3.32Å; R159-T167 PolarHBondContact NH2-OG1 3.36Å
160T81.2Confident76.6Confident46 Ų4690.2 Ų90.228%0.28250%0.502SS..  trans-58.9123.1172.1440000110.5I78 D81 M162I78-T160 HydrophobicContact CG2-CG2 4.26Å; D81-T160 HydrophobicContact CB-CG2 3.51Å; D81-T160 WeakPolarHBondContact OD2-CA 3.4Å; T160-M162 VanDerWaalsContact C-N 3.34Å; T160-M162 PolarHBondContact O-N 3.01Å; T160-M162 VanDerWaalsContact O-N 3.16Å
161N70.9Confident74.5Confident143 Ų14389.7 Ų89.777%0.76550%0.496SS*.  trans-87.773.1174.8-76-66.6000110.2R159 P163R159-N161 PolarHBondContact O-N 3.26Å; N161-P163 WeakPolarHBondContact O-CD 3.38Å
162M64.4Low72.2Confident99 Ų9989.6 Ų89.649%0.48852%0.517SS..  trans-66.2121.6174-66-152-60.700110.5T160 G164 I165T160-M162 VanDerWaalsContact C-N 3.34Å; T160-M162 PolarHBondContact O-N 3.01Å; T160-M162 VanDerWaalsContact O-N 3.16Å; M162-G164 PolarHBondContact O-N 2.84Å; M162-I165 HydrophobicContact CE-CD1 4.43Å; M162-I165 PolarHBondContact O-N 2.96Å
163P58.5Low70Confident131 Ų13195.3 Ų95.385%0.85154%0.538SS*.THydrogen-bonded Turntrans-63.5131.1-179.426.1-33.6000110.5N161N161-P163 WeakPolarHBondContact O-CD 3.38Å
164G62Low67.7Low86 Ų86106.4 Ų106.489%0.88758%0.58SS**THydrogen-bonded Turntrans94.7-16-179.200000115.9M162M162-G164 PolarHBondContact O-N 2.84Å
165I59.5Low65.6Low111 Ų111104.1 Ų104.157%0.56959%0.591SS**  trans-121.279.8176.7-54-179.7000109.8M162 T167M162-I165 HydrophobicContact CE-CD1 4.43Å; M162-I165 PolarHBondContact O-N 2.96Å; I165-T167 HydrophobicContact CG2-CG2 4.36Å; I165-T167 PolarHBondContact O-N 2.83Å
166S56.6Low63.1Low67 Ų67107 Ų10747%0.46962%0.622SS.*  trans-72.396.8174.3-175.60000110.5T168 D169S166-T168 PolarHBondContact O-N 2.97Å; S166-T168 WeakPolarHBondContact OG-CB 3.47Å; S166-T168 PolarHBondContact OG-N 2.82Å; S166-D169 PolarHBondContact O-N 3.45Å
167T56.6Low61Low82 Ų82111.9 Ų111.950%0.50364%0.642SS.*THydrogen-bonded Turntrans-70.224.2167.760.90000113.1R159 I165R159-T167 VanDerWaalsContact CZ-OG1 3.26Å; R159-T167 PolarHBondContact NH1-O 3.01Å; R159-T167 PolarHBondContact NH1-OG1 3.01Å; R159-T167 PolarHBondContact NH2-O 3.32Å; R159-T167 PolarHBondContact NH2-OG1 3.36Å; I165-T167 HydrophobicContact CG2-CG2 4.36Å; I165-T167 PolarHBondContact O-N 2.83Å
168T57.4Low58.7Low83 Ų83115 Ų11551%0.50966%0.66SS.*THydrogen-bonded Turntrans-102.6-1164.8-460000111.3S166 R170S166-T168 PolarHBondContact O-N 2.97Å; S166-T168 WeakPolarHBondContact OG-CB 3.47Å; S166-T168 PolarHBondContact OG-N 2.82Å; T168-R170 PolarHBondContact O-N 3.45Å
169D54.2Low56.7Low139 Ų139124.2 Ų124.274%0.74369%0.694SS**  trans-64.976162-80.2-52.4000110.8S166 G171S166-D169 PolarHBondContact O-N 3.45Å; D169-G171 VanDerWaalsContact C-N 3.26Å; D169-G171 PolarHBondContact O-N 3.12Å
170R52.4Low54.6Low224 Ų224120.1 Ų120.185%0.84570%0.697SS**  trans-69.174.8-178.3-70.8178.4178.9147.4-2.7111.8T168 G172T168-R170 PolarHBondContact O-N 3.45Å; R170-G172 PolarHBondContact O-N 2.8Å
171G47.4Very low53.1Low61 Ų61130.1 Ų130.163%0.62973%0.73SS**  trans5533.1165.900000114.5D169 H173D169-G171 VanDerWaalsContact C-N 3.26Å; D169-G171 PolarHBondContact O-N 3.12Å; G171-H173 PolarHBondContact O-N 3.05Å
172G44.4Very low51.6Low67 Ų67126.7 Ų126.769%0.69173%0.728SS**  trans-71.151.1-163.500000116.6R170 R174R170-G172 PolarHBondContact O-N 2.8Å; G172-R174 PolarHBondContact O-N 2.77Å
173H49.3Very low50.7Low192 Ų192134 Ų13489%0.88975%0.75SS**  trans-70.646.2173.9-74.382.2000112.9G171 G175G171-H173 PolarHBondContact O-N 3.05Å; H173-G175 PolarHBondContact O-N 3.25Å
174R47.3Very low49.7Very low235 Ų235131.4 Ų131.489%0.88775%0.747SS**  trans-72.3107.7161.7-80.5-174.2170.2179.1-2.1107.5G172 G176G172-R174 PolarHBondContact O-N 2.77Å; R174-G176 PolarHBondContact O-N 3.45Å
175G51.4Low48.5Very low73 Ų73137.8 Ų137.875%0.75375%0.746SS**  trans-58.494.3-176.700000113.4H173 H177H173-G175 PolarHBondContact O-N 3.25Å; G175-H177 PolarHBondContact O-N 2.76Å
176G44.3Very low47.9Very low66 Ų66143.5 Ų143.568%0.6876%0.761SS**  trans-79110.1165.800000109.6R174 T178R174-G176 PolarHBondContact O-N 3.45Å; G176-T178 VanDerWaalsContact C-N 3.27Å; G176-T178 PolarHBondContact O-N 2.78Å
177H51.1Low47.1Very low180 Ų180144.8 Ų144.883%0.83377%0.767SS**  trans-7278.3177.6-70.7-69.7000111.8G175 R179G175-H177 PolarHBondContact O-N 2.76Å; H177-R179 PolarHBondContact O-N 3.24Å
178T44.3Very low46.6Very low135 Ų135146.1 Ų146.183%0.82878%0.777SS**  trans-60.5104.9166.9-59.10000108.7G176 G180G176-T178 VanDerWaalsContact C-N 3.27Å; G176-T178 PolarHBondContact O-N 2.78Å; T178-G180 PolarHBondContact O-N 2.95Å
179R51.1Low45.7Very low242 Ų242153.9 Ų153.991%0.91380%0.797SS**  trans-73.758.4179.5-70.5178.2171.9166-3.1111.6H177 R181H177-R179 PolarHBondContact O-N 3.24Å; R179-R181 PolarHBondContact O-N 2.84Å
180G42.1Very low45Very low61 Ų61158 Ų15863%0.62980%0.804SS**  trans-70120.1177.500000111.8T178 G182T178-G180 PolarHBondContact O-N 2.95Å; G180-G182 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 2.84Å
181R49.7Very low44.5Very low256 Ų256156.3 Ų156.397%0.96681%0.805SS**  trans-72.981.1173.7-73.5179.3168.2-176-3.1111.1R179R179-R181 PolarHBondContact O-N 2.84Å
182G40.4Very low43.8Very low71 Ų71160.5 Ų160.573%0.73281%0.814SS**  trans-87.7115.517000000112G180 G184G180-G182 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 2.84Å; G182-G184 PolarHBondContact O-N 3.47Å; G182-G184 VanDerWaalsContact O-N 3.13Å
183R44.9Very low43.4Very low253 Ų253161.6 Ų161.696%0.95581%0.811SS**  trans-72.8102.6172.9-72.8-172179.1-1443.7109.8Y185R183-Y185 PolarHBondContact O-N 2.8Å
184G36.9Very low43Very low76 Ų76157.2 Ų157.278%0.78480%0.801SS**  trans-64.6101.7176.700000112.3G182 R186G182-G184 PolarHBondContact O-N 3.47Å; G182-G184 VanDerWaalsContact O-N 3.13Å; G184-R186 PolarHBondContact O-N 3.43Å
185Y37.7Very low42.8Very low220 Ų220158.1 Ų158.186%0.86381%0.805SS**  trans-65.6110.1171.5-160.5-90.9000108.6R183 P187R183-Y185 PolarHBondContact O-N 2.8Å; Y185-P187 WeakPolarHBondContact O-CD 3.2Å
186R46.8Very low42Very low231 Ų231158.3 Ų158.387%0.87281%0.807SS**  trans-93.7102.4-175.1-174-178.3-173.6-175.82.6109.3G184G184-R186 PolarHBondContact O-N 3.43Å
187P40.1Very low41.8Very low93 Ų93165.7 Ų165.760%0.60481%0.814SS**  trans-63.1140.5178.926.2-34.5000110.6Y185 R189Y185-P187 WeakPolarHBondContact O-CD 3.2Å; P187-R189 PolarHBondContact O-N 2.96Å
188P44.5Very low41.1Very low110 Ų110165 Ų16571%0.71481%0.809SS**  trans-62.1119.6174.6-21.132.8000110.4Y190P188-Y190 PolarHBondContact O-N 3.26Å
189R40Very low40.8Very low247 Ų247168.8 Ų168.893%0.93281%0.808SS**  trans-75.395.7168.5-76.6-167.4176.4-165.9-1.6108.7P187P187-R189 PolarHBondContact O-N 2.96Å
190Y38.5Very low40.1Very low226 Ų226167.3 Ų167.389%0.88680%0.804SS**  trans-58146.1165.1-98.6-93.3000110.6P188P188-Y190 PolarHBondContact O-N 3.26Å
191Q41.2Very low40.1Very low187 Ų187172.8 Ų172.887%0.87481%0.813SS**  trans-112.3106.5-160.4174178.5-16.800110.4
192N33.7Very low39.5Very low150 Ų150165.9 Ų165.980%0.80280%0.804SS**  trans-153.2144.3156.4-150.3-14.5000114.2
193S35.2Very low39.5Very low90 Ų90168.1 Ų168.163%0.62981%0.809SS**  trans59.7112.9149.6-83.90000122.2
194S41.2Very low39.4Very low99 Ų99167.3 Ų167.369%0.69281%0.806SS**  70.377.5113.8-52.30000119.1
195R43Very low39.7Very low255 Ų255169.5 Ų169.596%0.96281%0.806SS**  -16797.8124.6-96.8143.9-164.5-160.45.3110
196G35.3Very low40.2Very low77 Ų77167.2 Ų167.279%0.79480%0.803SS**  trans-86.6141.5173.300000112
197R40.1Very low40Very low220 Ų220165 Ų16583%0.8380%0.802SS**  trans-139.3119.1151.1-84.4-158.1177.4-1040.9110.8
198F35.6Very low40.2Very low166 Ų166169.3 Ų169.373%0.72882%0.815SS**  trans39.9111.6148.4-60.6-83.3000119.5
199R37.8Very low40.4Very low214 Ų214169.4 Ų169.481%0.80882%0.818SS**  trans-61.4137.4145.6-69.2-179.1176.7-172.80.1108.8
200Y38Very low41Very low212 Ų212163.7 Ų163.783%0.83181%0.813SS**  trans-115.4135.3139.1-95.4-91.1000107.9S202Y200-S202 PolarHBondContact O-N 3.17Å
201Q40.7Very low41.7Very low175 Ų175160.9 Ų160.982%0.81881%0.807SS**  trans-87.6103.6171.3-76.8164.6-90.100108.1
202S37.2Very low42.3Very low111 Ų111156.7 Ų156.778%0.77680%0.796SS**  trans-108.6121.9166.450.20000109.1Y200 R204Y200-S202 PolarHBondContact O-N 3.17Å; S202-R204 PolarHBondContact O-N 3.02Å
203S41.9Very low43.1Very low119 Ų119159.8 Ų159.883%0.83280%0.798SS**PPolyproline II helixtrans-63.5129.1-173.1-57.10000111.8P205S203-P205 VanDerWaalsContact O-CD 3.29Å; S203-P205 WeakPolarHBondContact O-CD 3.29Å
204R40.9Very low43.5Very low236 Ų236167 Ų16789%0.89181%0.814SS**PPolyproline II helixtrans-63.9117.5172.1-171.6-179.6-168.5172.42.7108.9S202 Q206S202-R204 PolarHBondContact O-N 3.02Å; R204-Q206 PolarHBondContact O-N 3.13Å
205P43.9Very low43.5Very low121 Ų121166.4 Ų166.479%0.78682%0.823SS**PPolyproline II helixtrans-61.2131.2178.8-23.935.2000110.9S203S203-P205 VanDerWaalsContact O-CD 3.29Å; S203-P205 WeakPolarHBondContact O-CD 3.29Å
206Q48.1Very low43.3Very low173 Ų173157.5 Ų157.581%0.80881%0.81SS**PPolyproline II helixtrans-70.4139.3170.5-74.3-76.224.100109.5R204 Q208R204-Q206 PolarHBondContact O-N 3.13Å; Q206-Q208 PolarHBondContact O-N 3.36Å; Q206-Q208 VanDerWaalsContact O-N 3.16Å
207H42.4Very low43.8Very low184 Ų184160.2 Ų160.285%0.85281%0.814SS**  trans-62.7115.5163-98.8-103.5000108.4
208Q44.7Very low44.3Very low184 Ų184155.8 Ų155.886%0.8682%0.817SS**PPolyproline II helixtrans-77.3124170.8-72179.1-14.600109.2Q206Q206-Q208 PolarHBondContact O-N 3.36Å; Q206-Q208 VanDerWaalsContact O-N 3.16Å
209S48.4Very low44.9Very low111 Ų111152.7 Ų152.778%0.77682%0.822SS**PPolyproline II helixtrans-62.4137.9169.5-56.70000110H211S209-H211 PolarHBondContact O-N 3.46Å
210P53.8Low45.1Very low128 Ų128145.7 Ų145.783%0.83182%0.816SS**PPolyproline II helixtrans-57.9132174.2-25.134.9000111.8
211H52.2Low45.6Very low166 Ų166145.7 Ų145.777%0.76982%0.82SS**PPolyproline II helixtrans-75.7136.6179.9-167-80000111S209 Y213S209-H211 PolarHBondContact O-N 3.46Å; H211-Y213 PolarHBondContact O-N 3.48Å
212P54.8Low45.7Very low100 Ų100148.4 Ų148.465%0.64982%0.823SS**SBendtrans-74.7110.3177.129.7-33.8000110.9
213Y50.7Low45.9Very low214 Ų214151.5 Ų151.584%0.83983%0.825SS**  trans-162.331.6149.3-125.5-78.2000115.6H211H211-Y213 PolarHBondContact O-N 3.48Å
214Y43.5Very low45.8Very low243 Ų243157.9 Ų157.995%0.95383%0.831SS**  trans-140.6113162-100.7-79.8000109.7
215G39.5Very low45.8Very low86 Ų86149.4 Ų149.489%0.88782%0.817SS**  trans-106.2129.3-179.500000112.2
216G39.5Very low46.1Very low68 Ų68151 Ų15170%0.70181%0.814SS**  trans-147.3139.9169.700000108.7
217P46Very low45.7Very low134 Ų134150.8 Ų150.887%0.8782%0.815SS**  trans-79.3136.3-154.828.5-35.5000115.3
218S50.5Low45.5Very low127 Ų127147.2 Ų147.289%0.88880%0.802SS**  trans-67.8133.4166.3-64.60000111.8
219A48.4Very low45.6Very low101 Ų101149.7 Ų149.784%0.83581%0.805SS**  trans-145.8141.6169.900000112.5
220G42.8Very low45.1Very low66 Ų66151.8 Ų151.868%0.6880%0.802SS**  trans78.380.5157.800000117.8R222G220-R222 PolarHBondContact O-N 3.04Å; G220-R222 VanDerWaalsContact O-N 3.14Å
221K47.4Very low44.3Very low212 Ų212152.5 Ų152.592%0.92279%0.794SS**  trans-60.6111.7145.8-70.4-178.8-178.51770107.2Q223K221-Q223 PolarHBondContact O-N 2.85Å
222R43.1Very low44.3Very low233 Ų233153.4 Ų153.488%0.87980%0.799SS**  trans-76.197.1175-62.9-173.6-163.3-95.8-0.2109.2G220G220-R222 PolarHBondContact O-N 3.04Å; G220-R222 VanDerWaalsContact O-N 3.14Å
223Q41.7Very low43.6Very low176 Ų176154.3 Ų154.382%0.82280%0.803SS**PPolyproline II helixtrans-58.6138.2158.269.9-168.535.400108.3K221 G225K221-Q223 PolarHBondContact O-N 2.85Å; Q223-G225 PolarHBondContact O-N 3.21Å
224W40.2Very low43.7Very low253 Ų253150.7 Ų150.796%0.95880%0.803SS**PPolyproline II helixtrans-75.8117.5167.7-77.674.5000107.1H226W224-H226 PolarHBondContact O-N 3.05Å
225G40.7Very low43.8Very low57 Ų57147.9 Ų147.959%0.58880%0.796SS**PPolyproline II helixtrans-67.8130.1-172.600000111.8Q223 M227Q223-G225 PolarHBondContact O-N 3.21Å; G225-M227 PolarHBondContact O-N 3.06Å
226H49.4Very low43.8Very low155 Ų155155 Ų15572%0.71880%0.796SS**PPolyproline II helixtrans-53.6131.4144.9-163.6-99000107.2W224 D228W224-H226 PolarHBondContact O-N 3.05Å; H226-D228 IonicContact CE1-OD1 3.04Å; H226-D228 PolarHBondContact CE1-OD1 3.41Å; H226-D228 IonicContact ND1-OD1 2.85Å; H226-D228 PolarHBondContact ND1-OD1 3.48Å; H226-D228 IonicContact ND1-OD2 3.69Å
227M40.5Very low44.3Very low169 Ų169161.8 Ų161.883%0.83380%0.802SS**  trans-124.2112.4171.3-89.7-92.470.500107.2G225G225-M227 PolarHBondContact O-N 3.06Å
228D38.5Very low44.7Very low109 Ų109161.5 Ų161.558%0.58380%0.8SS**  trans-71.9145.4-169.8-54-86.7000112H226 H230H226-D228 IonicContact CE1-OD1 3.04Å; H226-D228 PolarHBondContact CE1-OD1 3.41Å; H226-D228 IonicContact ND1-OD1 2.85Å; H226-D228 PolarHBondContact ND1-OD1 3.48Å; H226-D228 IonicContact ND1-OD2 3.69Å; D228-H230 PolarHBondContact O-N 3.14Å
229Y45Very low44.1Very low236 Ų236161 Ų16193%0.92580%0.795SS**  trans-78.6103.7179-129.5-99.2000109.2
230H38.2Very low44.4Very low155 Ų155164 Ų16472%0.71880%0.796SS**  trans-135.2113.9166.9-103.4-83.5000113.2D228D228-H230 PolarHBondContact O-N 3.14Å
231E38.7Very low44.7Very low142 Ų142168.6 Ų168.666%0.66481%0.805SS**  trans46.7109.7139.2-66.7173.3132.200121.2
232Q51.9Low44.7Very low185 Ų185166.7 Ų166.786%0.86480%0.804SS**  42.686.1116.9-57.4-176.520.900117.5
233T39.7Very low44.8Very low120 Ų120163.2 Ų163.274%0.73680%0.801SS**  trans-123.8126.4149.348.10000110.5K235T233-K235 PolarHBondContact O-N 3.36Å
234T52.5Low45.4Very low138 Ų138160.8 Ų160.885%0.84780%0.798SS**  trans-80.5102.1-170.240.40000112R236T234-R236 PolarHBondContact O-N 3.16Å
235K46.1Very low46.5Very low183 Ų183153.5 Ų153.580%0.79678%0.784SS**  trans-91.5101.3172.8-67.7-172.2179179.40110.3T233T233-K235 PolarHBondContact O-N 3.36Å
236R39.1Very low47.2Very low237 Ų237156.7 Ų156.789%0.89479%0.794SS**  trans-62.7132.3177-62.9179.1177.3-173.9-2.3110.5T234T234-R236 PolarHBondContact O-N 3.16Å
237Y50.9Low47.6Very low209 Ų209155.1 Ų155.182%0.8280%0.8SS**  trans-76.2133.3161.8-61-84.2000109.2C239Y237-C239 PolarHBondContact O-N 3.23Å; Y237-C239 VanDerWaalsContact O-N 3.12Å
238P53.4Low48.7Very low128 Ų128155.9 Ų155.983%0.83180%0.802SS**  trans-78.489.2168.431.3-31.7000109.3L240P238-L240 PolarHBondContact O-N 3.38Å
239C38.9Very low49.3Very low116 Ų116157.7 Ų157.778%0.78481%0.811SS**  trans-69.7125.5173.7-55.70000110.2Y237Y237-C239 PolarHBondContact O-N 3.23Å; Y237-C239 VanDerWaalsContact O-N 3.12Å
240L52.9Low49.4Very low164 Ų164154.4 Ų154.486%0.85981%0.809SS**  trans-86.4170.6162.4-89.1170.1000110.6P238P238-L240 PolarHBondContact O-N 3.38Å
241L50.5Low49.2Very low164 Ų164150.8 Ų150.886%0.85981%0.813SS**  trans73.492.7177.8-60.9160.4000114.8
242L47.4Very low49.4Very low172 Ų172149 Ų14990%0.90182%0.824SS**  trans-65.5133.5153.9-71.1167.3000108.8
243I45.7Very low48.9Very low159 Ų159144.8 Ų144.882%0.81582%0.82SS**  trans-84.8115.6170.7-61.6169000107.9
244T53.5Low49.2Very low126 Ų126144.6 Ų144.677%0.77382%0.824SS**  trans-102.7107.216651.20000108.8
245P62Low48.9Very low100 Ų100143.9 Ų143.965%0.64982%0.824SS**PPolyproline II helixtrans-70.7143.2173.430.5-33.6000110.1
246P56.4Low48.6Very low124 Ų124139 Ų13981%0.80583%0.826SS**PPolyproline II helixtrans-73.7125.5165.230.7-31.2000109.2
247S58.4Low49.2Very low122 Ų122135.9 Ų135.985%0.85382%0.822SS**PPolyproline II helixtrans-76.6125.2170.8-520000110.1
248E62.4Low49.1Very low185 Ų185134.9 Ų134.986%0.86482%0.824SS**PPolyproline II helixtrans-80.5134.6158.6-59.7-177.1125.500108.7
249D52.1Low48.3Very low146 Ų146138.1 Ų138.178%0.78182%0.821SS**  trans-163.2107.5147.4-114.4-23.5000113.1
250L46.3Very low49.3Very low167 Ų167137.2 Ų137.287%0.87481%0.814SS**  trans47.6122.5136.4-59.4175.1000122.7
251G35Very low49.1Very low79 Ų79136.9 Ų136.981%0.81481%0.808SS**  trans126.3135.3145.600000115.6
252A42.8Very low48.8Very low106 Ų106137.4 Ų137.488%0.87681%0.806SS**  cis-154.9171.6-9.100000110.6
253A40.8Very low48.6Very low96 Ų96144 Ų14479%0.79382%0.819SS**  trans-68.4151.3-170.300000116
254S45.5Very low48.8Very low116 Ų116143.3 Ų143.381%0.81182%0.819SS**  trans-163.9125.8131.325.60000114.2
255S46.4Very low48.5Very low123 Ų123144.2 Ų144.286%0.8682%0.821SS**  trans-5.4135.4151.753.40000120.5
256G41Very low47.8Very low81 Ų81146.6 Ų146.684%0.83583%0.831SS**  trans-168.267.5169.100000115.3
257Q50.9Low47.3Very low171 Ų171147.9 Ų147.980%0.79983%0.833SS**  trans-75.4115.9168.9-81.9-92.84.900110.4
258H48.6Very low46.6Very low188 Ų188149.6 Ų149.687%0.8783%0.831SS**  trans-161.1117.8151.8-122.7-64.4000114.3
259Y37.6Very low45.5Very low195 Ų195147.2 Ų147.277%0.76583%0.829SS**  trans-90.9174.8154.8-80.2-86.7000109
260P60.2Low45Very low97 Ų97147.3 Ų147.363%0.6383%0.832SS**  cis-135.9-170.2-16.730.2-7.1000114.1
261Q46.8Very low44.9Very low158 Ų158145.8 Ų145.874%0.73883%0.829SS**  trans72.2132.7136.7-89.8166.7-3.500123.2
262Q45.3Very low45.8Very low175 Ų175151.3 Ų151.382%0.81883%0.83SS**  trans69.1148.3152.6-61.8174.311.200116.3
263R43.4Very low46Very low310 Ų310155.5 Ų155.5100%1.1783%0.826SS**  cis-141.9013.2-169.4-178-172.8-142.44.9111.8

Retrieved 263 of 263 residues in 34.7 ms (Link to these results)