D4A3I4_RAT Loading...

Transcription factor BTF3

AlphaFold DB , UniProt , Accession D4A3I4, Species RAT (Rattus norvegicus, Rat), Gene Btf3l4, Length 158 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
1M59.7Low73.8Confident207 Ų207129.1 Ų129.1100%1.0266%0.664SS**  0112.70-122.9-66.7-160.800107.2Q3 L6M1-Q3 PolarHBondContact O-N 3.33Å; M1-L6 HydrophobicContact CE-CD1 3.8Å; M1-L6 HydrophobicContact SD-CD1 4.22Å
2N78.5Confident73Confident106 Ų106131.3 Ų131.357%0.56767%0.669SS**  trans-87.7105.3-170.7-156.2-14000109.5E4 K5 L6N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.32Å; N2-K5 PolarHBondContact O-N 3.15Å; N2-K5 VanDerWaalsContact O-N 3.14Å; N2-L6 PolarHBondContact O-N 3.32Å
3Q84.4Confident71.9Confident170 Ų170127.5 Ų127.579%0.79466%0.656SS**Hα-helixtrans-56-37-171.5-97.3-179.5-2.600113M1 K5 L6 A7M1-Q3 PolarHBondContact O-N 3.33Å; Q3-K5 PolarHBondContact O-N 3.44Å; Q3-L6 PolarHBondContact O-N 2.76Å; Q3-A7 PolarHBondContact O-N 3.29Å
4E79.2Confident71Confident147 Ų147136.4 Ų136.469%0.68768%0.677SS**Hα-helixtrans-65.2-36.4179.6-71.3-168.8149.600113.4N2 L6 K8N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.32Å; E4-L6 VanDerWaalsContact C-N 3.32Å; E4-K8 PolarHBondContact O-N 3.05Å; E4-K8 VanDerWaalsContact O-N 3.17Å
5K76.3Confident70.3Confident152 Ų152136.6 Ų136.666%0.66168%0.679SS**Hα-helixtrans-67.9-36.5174.9-86.9-173.8176.2-179.60111.1N2 Q3 L9N2-K5 PolarHBondContact O-N 3.15Å; N2-K5 VanDerWaalsContact O-N 3.14Å; Q3-K5 PolarHBondContact O-N 3.44Å; K5-L9 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-N 3.12Å
6L78.6Confident69.7Low75 Ų75131.9 Ų131.939%0.39368%0.677SS.*Hα-helixtrans-68-42.2179.1-154.573.4000111.4M1 N2 Q3 E4 L9 Q10M1-L6 HydrophobicContact CE-CD1 3.8Å; M1-L6 HydrophobicContact SD-CD1 4.22Å; N2-L6 PolarHBondContact O-N 3.32Å; Q3-L6 PolarHBondContact O-N 2.76Å; E4-L6 VanDerWaalsContact C-N 3.32Å; L6-L9 PolarHBondContact O-N 3.49Å; L6-Q10 WeakPolarHBondContact O-CG 3.28Å; L6-Q10 PolarHBondContact O-N 2.8Å
7A75.7Confident69.5Low60 Ų60126.6 Ų126.650%0.49666%0.662SS.*Hα-helixtrans-62.9-42.5176.300000112.4Q3 L9 Q10 A11Q3-A7 PolarHBondContact O-N 3.29Å; A7-L9 PolarHBondContact O-N 3.03Å; A7-Q10 PolarHBondContact O-N 3.41Å; A7-A11 PolarHBondContact O-N 2.85Å
8K73.8Confident69.3Low159 Ų159132.3 Ų132.369%0.69168%0.681SS**Hα-helixtrans-64.4-38.2175.8-75.3-177.7-179.2174.50112.7E4 A11 Q12E4-K8 PolarHBondContact O-N 3.05Å; E4-K8 VanDerWaalsContact O-N 3.17Å; K8-A11 PolarHBondContact O-N 3.22Å; K8-Q12 PolarHBondContact O-N 3.49Å
9L71.3Confident69.3Low113 Ų113129.7 Ų129.759%0.59269%0.69SS**Hα-helixtrans-67.6-39.2175.7-90.8154.3000112.4K5 L6 A7 A11 Q12 V13K5-L9 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-N 3.12Å; L6-L9 PolarHBondContact O-N 3.49Å; A7-L9 PolarHBondContact O-N 3.03Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-Q12 PolarHBondContact O-N 3.18Å; L9-V13 WeakPolarHBondContact O-CG2 3.41Å
10Q70.2Confident69.2Low142 Ų142127 Ų12766%0.66468%0.678SS**Hα-helixtrans-68.1-30.9176.3-75.7-173.4-18.400113.2L6 A7 Q12 V13L6-Q10 WeakPolarHBondContact O-CG 3.28Å; L6-Q10 PolarHBondContact O-N 2.8Å; A7-Q10 PolarHBondContact O-N 3.41Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q10-V13 WeakPolarHBondContact O-CG2 3.43Å
11A64.7Low69Low89 Ų89126 Ų12674%0.73669%0.688SS**Hα-helixtrans-73-23174.200000113.3A7 K8 L9A7-A11 PolarHBondContact O-N 2.85Å; K8-A11 PolarHBondContact O-N 3.22Å; L9-A11 VanDerWaalsContact C-N 3.34Å
12Q63.5Low69.2Low155 Ų155127.3 Ų127.372%0.72468%0.681SS**THydrogen-bonded Turntrans-92.20.3-177.2-149.7174.914.200113.5K8 L9 Q10 R14K8-Q12 PolarHBondContact O-N 3.49Å; L9-Q12 PolarHBondContact O-N 3.18Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q12-R14 PolarHBondContact O-N 3.21Å; Q12-R14 VanDerWaalsContact O-N 3.14Å
13V59.6Low68.8Low83 Ų83133.6 Ų133.650%0.50370%0.697SS.*  trans-66120.3179.7-160.20000108.1L9 Q10 I15L9-V13 WeakPolarHBondContact O-CG2 3.41Å; Q10-V13 WeakPolarHBondContact O-CG2 3.43Å; V13-I15 HydrophobicContact CB-CD1 4.02Å; V13-I15 HydrophobicContact CB-CG1 3.8Å; V13-I15 HydrophobicContact CG1-CD1 3.74Å; V13-I15 HydrophobicContact CG1-CG1 3.42Å; V13-I15 VanDerWaalsContact CG1-CG1 3.42Å; V13-I15 PolarHBondContact O-N 3.22Å
14R58.2Low68.1Low251 Ų251134.7 Ų134.795%0.94770%0.7SS**  trans-67.242.8179.5-67.8176.1178.4145.7-0.7112.8Q12 G16Q12-R14 PolarHBondContact O-N 3.21Å; Q12-R14 VanDerWaalsContact O-N 3.14Å; R14-G16 PolarHBondContact O-N 3.21Å
15I61.4Low68Low140 Ų140136.6 Ų136.672%0.71871%0.705SS**  trans-83.194.7173.6-39-180000105.2V13 G17V13-I15 HydrophobicContact CB-CD1 4.02Å; V13-I15 HydrophobicContact CB-CG1 3.8Å; V13-I15 HydrophobicContact CG1-CD1 3.74Å; V13-I15 HydrophobicContact CG1-CG1 3.42Å; V13-I15 VanDerWaalsContact CG1-CG1 3.42Å; V13-I15 PolarHBondContact O-N 3.22Å; I15-G17 PolarHBondContact O-N 2.86Å
16G60.9Low68.1Low62 Ų62137.7 Ų137.764%0.63971%0.71SS**  trans-59.395.7-174.100000112.6R14 T20R14-G16 PolarHBondContact O-N 3.21Å; G16-T20 VanDerWaalsContact C-OG1 3.27Å; G16-T20 WeakPolarHBondContact CA-OG1 3.49Å
17G65.4Low68.2Low41 Ų41138.1 Ų138.142%0.42372%0.716SS.*  trans-77.6170.3170.900000112.9I15 G19 T20I15-G17 PolarHBondContact O-N 2.86Å; G17-G19 PolarHBondContact O-N 3.49Å; G17-G19 VanDerWaalsContact O-N 3.13Å; G17-T20 PolarHBondContact N-OG1 3.49Å; G17-T20 WeakPolarHBondContact O-CB 3.47Å; G17-T20 WeakPolarHBondContact O-CG2 3.31Å; G17-T20 PolarHBondContact O-N 2.98Å; G17-T20 PolarHBondContact O-OG1 2.85Å
18K65.7Low68.3Low230 Ų230139.7 Ų139.7100%172%0.719SS**THydrogen-bonded Turntrans-56.4115.5175-166.8178.1-177.5-179.40109.2
19G69.8Low68.4Low83 Ų83139.8 Ų139.886%0.85672%0.722SS**THydrogen-bonded Turntrans100.5-7.9-17600000115.8G17G17-G19 PolarHBondContact O-N 3.49Å; G17-G19 VanDerWaalsContact O-N 3.13Å
20T67.4Low68.4Low74 Ų74144.3 Ų144.345%0.45473%0.731SS.*SBendtrans-71144.8173.460.60000111.7G16 G17 R22G16-T20 VanDerWaalsContact C-OG1 3.27Å; G16-T20 WeakPolarHBondContact CA-OG1 3.49Å; G17-T20 PolarHBondContact N-OG1 3.49Å; G17-T20 WeakPolarHBondContact O-CB 3.47Å; G17-T20 WeakPolarHBondContact O-CG2 3.31Å; G17-T20 PolarHBondContact O-N 2.98Å; G17-T20 PolarHBondContact O-OG1 2.85Å; T20-R22 PolarHBondContact O-N 3.19Å
21A64Low68.5Low107 Ų107141.7 Ų141.788%0.88473%0.725SS**  trans-62.394.9177.900000110.5R23A21-R23 PolarHBondContact O-N 3.34Å
22R64.9Low68.9Low234 Ų234141.4 Ų141.488%0.88372%0.723SS**  trans-70121.1175.1-152.2175.8-169.3-155.43.1107.9T20 K24T20-R22 PolarHBondContact O-N 3.19Å; R22-K24 PolarHBondContact O-N 3.38Å
23R69.3Low69.2Low238 Ų238139.2 Ų139.290%0.89872%0.72SS**  trans-55115.2174.8-168.5-177.9-168.7-166.95108.1A21 K25A21-R23 PolarHBondContact O-N 3.34Å; R23-K25 PolarHBondContact O-N 3.37Å
24K70Confident69.9Low194 Ų194137.2 Ų137.284%0.84371%0.712SS**  trans-58.5134.3175.4-66-168.7178.7-175.30108.4R22 K26R22-K24 PolarHBondContact O-N 3.38Å; K24-K26 PolarHBondContact O-N 3.11Å
25K78Confident71.1Confident186 Ų186128.4 Ų128.481%0.80968%0.683SS**  trans-55.1109.3173.6-179.3-177.9-179.6-1780107.9R23 V27R23-K25 PolarHBondContact O-N 3.37Å; K25-V27 HydrophobicContact CD-CG2 4.1Å; K25-V27 HydrophobicContact CG-CG2 4.08Å; K25-V27 PolarHBondContact O-N 3.49Å; K25-V27 VanDerWaalsContact O-N 3.16Å
26K78.6Confident72.3Confident175 Ų175126.1 Ų126.176%0.76167%0.673SS**  trans-77.298.6169.5-172-178.2-176.8-179.30107K24 V28K24-K26 PolarHBondContact O-N 3.11Å; K26-V28 HydrophobicContact CD-CG2 3.92Å; K26-V28 HydrophobicContact CG-CG2 3.86Å; K26-V28 PolarHBondContact O-N 3.25Å
27V79.3Confident73.5Confident84 Ų84130.6 Ų130.651%0.50968%0.675SS.*  trans-75.5107.9166.4-177.40000106.3K25K25-V27 HydrophobicContact CD-CG2 4.1Å; K25-V27 HydrophobicContact CG-CG2 4.08Å; K25-V27 PolarHBondContact O-N 3.49Å; K25-V27 VanDerWaalsContact O-N 3.16Å
28V78.3Confident74.7Confident94 Ų94135 Ų13557%0.5768%0.682SS**  trans-90107173.9-178.80000106.9K26 R30K26-V28 HydrophobicContact CD-CG2 3.92Å; K26-V28 HydrophobicContact CG-CG2 3.86Å; K26-V28 PolarHBondContact O-N 3.25Å; V28-R30 PolarHBondContact O-N 3.37Å
29H76.8Confident75.9Confident161 Ų161128.3 Ų128.375%0.74566%0.657SS**  trans-73.6111.2164.9-66.1-74.6000107.8
30R71.1Confident76.9Confident207 Ų207126.1 Ų126.178%0.78162%0.624SS**  trans-75.8123.4168.5-75.8-171.3176.7175.6-0.7108V28V28-R30 PolarHBondContact O-N 3.37Å
31T71.3Confident78.1Confident88 Ų88126 Ų12654%0.5463%0.627SS.*  trans-85.4124.1170.549.20000108.6T33 A34T31-T33 PolarHBondContact O-N 2.89Å; T31-A34 PolarHBondContact O-N 3.19Å; T31-A34 VanDerWaalsContact O-N 3.16Å
32A73.5Confident79.4Confident83 Ų83123.9 Ų123.969%0.68661%0.606SS**Hα-helixtrans-55.8-28.4-177.100000113.5A34 D35 D36A32-A34 PolarHBondContact O-N 3.46Å; A32-D35 PolarHBondContact O-N 2.94Å; A32-D36 PolarHBondContact O-N 2.63Å
33T70.7Confident80.7Confident108 Ų108113.7 Ų113.766%0.66357%0.568SS**Hα-helixtrans-66.9-30.8-178.954.70000114.1T31 D35T31-T33 PolarHBondContact O-N 2.89Å; T33-D35 VanDerWaalsContact C-N 3.33Å
34A73.5Confident81.7Confident41 Ų41109.8 Ų109.834%0.33956%0.558SS.*Hα-helixtrans-74.1-29.9177.500000111.7T31 A32 K38T31-A34 PolarHBondContact O-N 3.19Å; T31-A34 VanDerWaalsContact O-N 3.16Å; A32-A34 PolarHBondContact O-N 3.46Å; A34-K38 WeakPolarHBondContact O-CG 3.32Å; A34-K38 PolarHBondContact O-N 3.41Å
35D83.1Confident82.8Confident66 Ų66109.1 Ų109.135%0.35356%0.555SS.*Hα-helixtrans-76.6-38.6-177.8-68.7-23.8000111.1A32 T33 K37 K38 L39A32-D35 PolarHBondContact O-N 2.94Å; T33-D35 VanDerWaalsContact C-N 3.33Å; D35-K37 PolarHBondContact O-N 3.22Å; D35-K38 PolarHBondContact O-N 3.32Å; D35-L39 WeakPolarHBondContact O-CB 3.31Å; D35-L39 PolarHBondContact O-N 2.87Å
36D86.3Confident83.5Confident92 Ų92104.3 Ų104.349%0.49254%0.538SS..Hα-helixtrans-60.4-44.7175.4-178.563.7000112.6A32 K38 L39 Q40A32-D36 PolarHBondContact O-N 2.63Å; D36-K38 VanDerWaalsContact C-N 3.32Å; D36-K38 PolarHBondContact O-N 2.86Å; D36-L39 WeakPolarHBondContact O-CB 3.43Å; D36-L39 PolarHBondContact O-N 2.76Å; D36-Q40 WeakPolarHBondContact O-CG 3.43Å; D36-Q40 PolarHBondContact O-N 2.92Å
37K87.7Confident84.1Confident157 Ų15798.8 Ų98.868%0.68353%0.525SS*.Hα-helixtrans-60.6-40.9176.1-73.2-172.1178.8-178.60112.3D35 Q40 S41D35-K37 PolarHBondContact O-N 3.22Å; K37-Q40 PolarHBondContact O-N 3.07Å; K37-S41 PolarHBondContact O-N 3.29Å; K37-S41 PolarHBondContact O-OG 3.22Å; K37-S41 VanDerWaalsContact O-OG 3.13Å
38K90.3Very high84.8Confident132 Ų13295.4 Ų95.457%0.57450%0.504SS*.Hα-helixtrans-67.9-38177.4-72.6174.5-176.3172.40112A34 D35 D36 S41 S42A34-K38 WeakPolarHBondContact O-CG 3.32Å; A34-K38 PolarHBondContact O-N 3.41Å; D35-K38 PolarHBondContact O-N 3.32Å; D36-K38 VanDerWaalsContact C-N 3.32Å; D36-K38 PolarHBondContact O-N 2.86Å; K38-S41 PolarHBondContact O-N 3.3Å; K38-S42 WeakPolarHBondContact O-CB 3.49Å; K38-S42 PolarHBondContact O-N 3.48Å; K38-S42 PolarHBondContact O-OG 3.26Å
39L90.6Very high85.6Confident90 Ų9096.6 Ų96.647%0.47151%0.507SS..Hα-helixtrans-62.2-49.5175.1-178.963.9000110.2D35 D36 S41 S42 L43D35-L39 WeakPolarHBondContact O-CB 3.31Å; D35-L39 PolarHBondContact O-N 2.87Å; D36-L39 WeakPolarHBondContact O-CB 3.43Å; D36-L39 PolarHBondContact O-N 2.76Å; L39-S41 VanDerWaalsContact C-N 3.33Å; L39-S41 PolarHBondContact O-N 3.44Å; L39-S42 WeakPolarHBondContact O-CB 3.32Å; L39-S42 PolarHBondContact O-N 3.47Å; L39-L43 HydrophobicContact CD1-CG 4.48Å; L39-L43 HydrophobicContact CG-CD1 4.18Å; L39-L43 WeakPolarHBondContact O-CG 3.24Å; L39-L43 PolarHBondContact O-N 3.39Å
40Q90.2Very high86.4Confident37 Ų3793.7 Ų93.717%0.17350%0.497CS..Hα-helixtrans-59.1-41.5176-71.8-63.2-34.700112.5D36 K37 S42 K44D36-Q40 WeakPolarHBondContact O-CG 3.43Å; D36-Q40 PolarHBondContact O-N 2.92Å; K37-Q40 PolarHBondContact O-N 3.07Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 2.98Å; Q40-K44 WeakPolarHBondContact O-CG 3.34Å; Q40-K44 PolarHBondContact O-N 3.23Å
41S92Very high87.5Confident72 Ų7287.2 Ų87.250%0.50348%0.477SS..Hα-helixtrans-62.8-35.9173.3-64.30000113K37 K38 L39 K45K37-S41 PolarHBondContact O-N 3.29Å; K37-S41 PolarHBondContact O-OG 3.22Å; K37-S41 VanDerWaalsContact O-OG 3.13Å; K38-S41 PolarHBondContact O-N 3.3Å; L39-S41 VanDerWaalsContact C-N 3.33Å; L39-S41 PolarHBondContact O-N 3.44Å; S41-K45 WeakPolarHBondContact O-CG 3.46Å; S41-K45 PolarHBondContact O-N 3.05Å
42S92.4Very high88.6Confident63 Ų6387.6 Ų87.644%0.44149%0.489SS..Hα-helixtrans-72.8-43.1179.4-560000111.3K38 L39 Q40 K44 K45 L46K38-S42 WeakPolarHBondContact O-CB 3.49Å; K38-S42 PolarHBondContact O-N 3.48Å; K38-S42 PolarHBondContact O-OG 3.26Å; L39-S42 WeakPolarHBondContact O-CB 3.32Å; L39-S42 PolarHBondContact O-N 3.47Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 2.98Å; S42-K44 PolarHBondContact O-N 3.26Å; S42-K45 WeakPolarHBondContact O-CB 3.26Å; S42-K45 PolarHBondContact O-N 3.14Å; S42-K45 VanDerWaalsContact O-N 3.13Å; S42-L46 PolarHBondContact O-N 3.46Å
43L92.7Very high89.6Confident19 Ų1987.1 Ų87.110%0.09949%0.493CS..Hα-helixtrans-59.2-44174.4-74.7176.9000111.8L39 K45 L46 V48 A84L39-L43 HydrophobicContact CD1-CG 4.48Å; L39-L43 HydrophobicContact CG-CD1 4.18Å; L39-L43 WeakPolarHBondContact O-CG 3.24Å; L39-L43 PolarHBondContact O-N 3.39Å; L43-K45 VanDerWaalsContact C-N 3.25Å; L43-K45 PolarHBondContact O-N 2.89Å; L43-L46 WeakPolarHBondContact O-CB 3.46Å; L43-L46 PolarHBondContact O-N 2.98Å; L43-V48 HydrophobicContact CB-CG2 3.75Å; L43-V48 HydrophobicContact CD2-CG1 4.5Å; L43-V48 WeakPolarHBondContact O-CG2 3.34Å; L43-A84 HydrophobicContact CD1-CB 3.93Å; L43-A84 HydrophobicContact CD2-CB 3.69Å; L43-A84 HydrophobicContact CG-CB 4.49Å
44K90.4Very high90.9Very high156 Ų15684.3 Ų84.368%0.67847%0.473SS*.Hα-helixtrans-59.3-32.2175.2-75.8-179.8-179.8-173.30113.6Q40 S42 L46 A47Q40-K44 WeakPolarHBondContact O-CG 3.34Å; Q40-K44 PolarHBondContact O-N 3.23Å; S42-K44 PolarHBondContact O-N 3.26Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 3.1Å; K44-A47 PolarHBondContact O-N 2.81Å; K44-A47 VanDerWaalsContact O-N 3.12Å
45K91.9Very high91.9Very high181 Ų18189.4 Ų89.479%0.78749%0.49SS*.Hα-helixtrans-68.4-26.2175.8-69.5175.7-177.8-177.10113S41 S42 L43 A47S41-K45 WeakPolarHBondContact O-CG 3.46Å; S41-K45 PolarHBondContact O-N 3.05Å; S42-K45 WeakPolarHBondContact O-CB 3.26Å; S42-K45 PolarHBondContact O-N 3.14Å; S42-K45 VanDerWaalsContact O-N 3.13Å; L43-K45 VanDerWaalsContact C-N 3.25Å; L43-K45 PolarHBondContact O-N 2.89Å; K45-A47 PolarHBondContact O-N 2.9Å
46L91.9Very high92.5Very high85 Ų8589.9 Ų89.945%0.44549%0.49SS..THydrogen-bonded Turntrans-82.67.8173.1-65.5172.3000112.7S42 L43 K44 V48 S77 T82S42-L46 PolarHBondContact O-N 3.46Å; L43-L46 WeakPolarHBondContact O-CB 3.46Å; L43-L46 PolarHBondContact O-N 2.98Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 3.1Å; L46-V48 HydrophobicContact CB-CG1 4.15Å; L46-V48 PolarHBondContact O-N 3.19Å; L46-S77 WeakPolarHBondContact O-CB 3.34Å; L46-S77 PolarHBondContact O-OG 3.14Å; L46-T82 HydrophobicContact CD1-CG2 4.43Å
47A91.9Very high93Very high59 Ų5986.8 Ų86.849%0.48847%0.474SS..THydrogen-bonded Turntrans54.137.1-177.500000113.3K44 K45K44-A47 PolarHBondContact O-N 2.81Å; K44-A47 VanDerWaalsContact O-N 3.12Å; K45-A47 PolarHBondContact O-N 2.9Å
48V94.5Very high93.3Very high12 Ų1280.6 Ų80.67%0.07345%0.449CS..  trans-70.7136.3174.2-53.10000110.7L43 L46 Q75 A76L43-V48 HydrophobicContact CB-CG2 3.75Å; L43-V48 HydrophobicContact CD2-CG1 4.5Å; L43-V48 WeakPolarHBondContact O-CG2 3.34Å; L46-V48 HydrophobicContact CB-CG1 4.15Å; L46-V48 PolarHBondContact O-N 3.19Å; V48-Q75 HydrophobicContact CB-CB 4.11Å; V48-Q75 HydrophobicContact CG2-CB 3.81Å; V48-A76 WeakPolarHBondContact CA-O 3.31Å
49N94Very high93.6Very high119 Ų11978 Ų7864%0.63644%0.44SS*.EExtended strand (participates in β ladder)trans-112.3146.4176.2-65.2-49000109.9Q75 A76N49-Q75 CarbonylContact O-C 3.46Å; N49-Q75 VanDerWaalsContact O-CA 3.24Å; N49-Q75 WeakPolarHBondContact O-CA 3.22Å; N49-A76 PolarHBondContact N-O 2.87Å; N49-A76 PolarHBondContact O-N 2.77Å
50N93.9Very high93.7Very high100 Ų10076.7 Ų76.754%0.53543%0.432SS..EExtended strand (participates in β ladder)trans-71134.4175-72.329.1000110.4K73 V74 Q75N50-K73 WeakPolarHBondContact ND2-CE 3.26Å; N50-V74 WeakPolarHBondContact CA-O 3.49Å; N50-Q75 WeakPolarHBondContact OD1-CG 3.47Å; N50-Q75 PolarHBondContact OD1-NE2 3.06Å
51I94.1Very high93.7Very high71 Ų7178.8 Ų78.836%0.36444%0.441SS..EExtended strand (participates in β ladder)trans-98.8120.4168.1-55.2176.4000107.4I54 V74 A76I51-I54 HydrophobicContact CB-CD1 4.39Å; I51-I54 HydrophobicContact CB-CG1 4.27Å; I51-I54 HydrophobicContact CG2-CD1 3.68Å; I51-I54 HydrophobicContact CG2-CG1 4Å; I51-V74 HydrophobicContact CD1-CG1 4.39Å; I51-V74 PolarHBondContact N-O 2.78Å; I51-A76 HydrophobicContact CD1-CB 3.51Å; I51-A76 HydrophobicContact CG1-CB 4.11Å
52A95Very high93.5Very high96 Ų9682.7 Ų82.779%0.79346%0.456SS*.PPolyproline II helixtrans-85.7154.917800000111.1
53G95.2Very high93.3Very high74 Ų7484.1 Ų84.176%0.76346%0.459SS*.  trans74.621.8173.300000115E55G53-E55 PolarHBondContact O-N 2.85Å
54I96.5Very high93Very high48 Ų4884 Ų8425%0.24646%0.462CS..  trans-73.2118171.9-59.4-56.8000109.4I51 E56 V57 P72 V74I51-I54 HydrophobicContact CB-CD1 4.39Å; I51-I54 HydrophobicContact CB-CG1 4.27Å; I51-I54 HydrophobicContact CG2-CD1 3.68Å; I51-I54 HydrophobicContact CG2-CG1 4Å; I54-E56 WeakPolarHBondContact CG2-O 3.42Å; I54-V57 HydrophobicContact CG2-CG2 4Å; I54-P72 HydrophobicContact CG2-CG 3.91Å; I54-V74 HydrophobicContact CB-CG2 4.1Å; I54-V74 HydrophobicContact CG1-CB 3.99Å; I54-V74 HydrophobicContact CG1-CG2 3.9Å; I54-V74 HydrophobicContact CG2-CG2 3.87Å
55E95.8Very high93.1Very high149 Ų14978.3 Ų78.370%0.69644%0.441SS*.  trans-82.3-42.4178.9-65.4-178.6178.300111.5G53 N71G53-E55 PolarHBondContact O-N 2.85Å; E55-N71 VanDerWaalsContact O-CA 3.3Å; E55-N71 WeakPolarHBondContact O-CA 2.9Å; E55-N71 PolarHBondContact O-N 2.8Å
56E94.9Very high93.2Very high76 Ų7669.7 Ų69.736%0.35540%0.404SS..EExtended strand (participates in β ladder)trans-152.9157.7-179.655.2174.8-140.200112.4I54 N58 H68 F69 Q104I54-E56 WeakPolarHBondContact CG2-O 3.42Å; E56-N58 PolarHBondContact OE1-ND2 2.88Å; E56-H68 IonicContact OE2-CE1 2.8Å; E56-F69 WeakPolarHBondContact CA-O 3.49Å; E56-Q104 PolarHBondContact OE1-NE2 3.35Å
57V96.4Very high93.4Very high26 Ų2667.9 Ų67.916%0.15839%0.394CS..EExtended strand (participates in β ladder)trans-131130.6166.61690000107.6I54 M59 F69 P72 V74 I85I54-V57 HydrophobicContact CG2-CG2 4Å; V57-M59 HydrophobicContact CG1-CG 4.49Å; V57-F69 HydrophobicContact CB-CB 4.18Å; V57-F69 HydrophobicContact CB-CD2 4.2Å; V57-F69 HydrophobicContact CG1-CD2 4.15Å; V57-F69 PolarHBondContact N-O 2.87Å; V57-F69 PolarHBondContact O-N 2.74Å; V57-P72 HydrophobicContact CB-CG 4.09Å; V57-P72 HydrophobicContact CG2-CG 3.6Å; V57-V74 HydrophobicContact CG2-CG2 3.92Å; V57-I85 HydrophobicContact CB-CD1 4.31Å; V57-I85 HydrophobicContact CB-CG2 4.31Å; V57-I85 HydrophobicContact CG1-CD1 3.42Å; V57-I85 VanDerWaalsContact CG1-CD1 3.42Å; V57-I85 HydrophobicContact CG1-CG2 4.29Å; V57-I85 HydrophobicContact CG2-CD1 4.07Å; V57-I85 HydrophobicContact CG2-CG2 4.13Å
58N95.8Very high93.7Very high27 Ų2765.5 Ų65.514%0.14437%0.372CS..EExtended strand (participates in β ladder)trans-116.4122.2175.9-66-41000109.9E56 V66 H68 I101 Q104E56-N58 PolarHBondContact OE1-ND2 2.88Å; N58-V66 HydrophobicContact CB-CG1 3.81Å; N58-H68 PolarHBondContact OD1-ND1 3.36Å; N58-I101 HydrophobicContact CB-CD1 4.26Å; N58-Q104 PolarHBondContact ND2-OE1 3.21Å
59M95.1Very high93.8Very high78 Ų7865.8 Ų65.838%0.38437%0.373SS..EExtended strand (participates in β ladder)trans-104102.1167.7-50.8-178.9177.200108.5V57 V66 I67 F69 I85V57-M59 HydrophobicContact CG1-CG 4.49Å; M59-V66 CarbonylContact O-C 3.6Å; M59-V66 WeakPolarHBondContact O-CA 3.32Å; M59-I67 HydrophobicContact CB-CB 4.05Å; M59-I67 HydrophobicContact CB-CG1 4.43Å; M59-I67 PolarHBondContact N-O 2.98Å; M59-I67 PolarHBondContact O-N 2.74Å; M59-I67 HydrophobicContact SD-CD1 4.45Å; M59-F69 HydrophobicContact CE-CE2 3.86Å; M59-F69 HydrophobicContact CE-CZ 4.32Å; M59-F69 HydrophobicContact CG-CE2 4.4Å; M59-F69 HydrophobicContact SD-CE2 4.15Å; M59-I85 HydrophobicContact CE-CD1 3.82Å
60I92.5Very high93.9Very high62 Ų6265 Ų6532%0.31837%0.368SS..EExtended strand (participates in β ladder)trans-81.2124.1-179.1-59.3144000108.6V66 L105I60-V66 HydrophobicContact CG1-CG2 4.2Å; I60-L105 HydrophobicContact CD1-CD2 3.46Å; I60-L105 VanDerWaalsContact CD1-CD2 3.46Å; I60-L105 HydrophobicContact CG1-CD2 4.02Å; I60-L105 HydrophobicContact CG2-CD2 4.28Å
61K90.8Very high94.1Very high81 Ų8165.6 Ų65.635%0.35237%0.372SS..  trans-95.4165.7173.9-57.9-172.8-157.4155.60110.8D63 T65K61-D63 VanDerWaalsContact C-N 3.34Å; K61-D63 VanDerWaalsContact CB-OD1 3.24Å; K61-D63 WeakPolarHBondContact CB-OD1 3.42Å; K61-T65 WeakPolarHBondContact CB-O 3.44Å; K61-T65 WeakPolarHBondContact CD-OG1 3.24Å; K61-T65 PolarHBondContact N-O 3.08Å; K61-T65 PolarHBondContact NZ-OG1 3.24Å
62D87.8Confident94.2Very high155 Ų15562.7 Ų62.783%0.82936%0.357SS*.THydrogen-bonded Turntrans-73.9-22.5175.853.8-12.2000113.6G64D62-G64 PolarHBondContact O-N 3.43Å
63D88.4Confident94.2Very high92 Ų9262.9 Ų62.949%0.49234%0.34SS..THydrogen-bonded Turntrans-761.217868.42.9000114.9K61 T65K61-D63 VanDerWaalsContact C-N 3.34Å; K61-D63 VanDerWaalsContact CB-OD1 3.24Å; K61-D63 WeakPolarHBondContact CB-OD1 3.42Å; D63-T65 WeakPolarHBondContact OD1-CB 3.41Å; D63-T65 PolarHBondContact OD1-N 3Å; D63-T65 PolarHBondContact OD1-OG1 3.18Å; D63-T65 PolarHBondContact OD2-OG1 3.43Å
64G86.6Confident94.3Very high17 Ų1759.7 Ų59.718%0.17531%0.306CS..SBendtrans82.910.4-176.500000114.3D62 I94D62-G64 PolarHBondContact O-N 3.43Å; G64-I94 WeakPolarHBondContact O-CB 3.44Å; G64-I94 VanDerWaalsContact O-CG2 3.26Å; G64-I94 WeakPolarHBondContact O-CG2 3.49Å; G64-I94 PolarHBondContact O-N 3.32Å
65T91.9Very high94.2Very high37 Ų3757.8 Ų57.823%0.22730%0.296CS..EExtended strand (participates in β ladder)trans-103.3155.2170.470.90000112.2K61 D63 K92K61-T65 WeakPolarHBondContact CB-O 3.44Å; K61-T65 WeakPolarHBondContact CD-OG1 3.24Å; K61-T65 PolarHBondContact N-O 3.08Å; K61-T65 PolarHBondContact NZ-OG1 3.24Å; D63-T65 WeakPolarHBondContact OD1-CB 3.41Å; D63-T65 PolarHBondContact OD1-N 3Å; D63-T65 PolarHBondContact OD1-OG1 3.18Å; D63-T65 PolarHBondContact OD2-OG1 3.43Å; T65-K92 CarbonylContact C-O 3.56Å; T65-K92 WeakPolarHBondContact CA-O 3.5Å
66V94.3Very high94.3Very high0 Ų050.9 Ų50.90%027%0.265CS..EExtended strand (participates in β ladder)trans-121.4128.1176-177.30000108N58 M59 I60 H68 A91 K92 I94 M97N58-V66 HydrophobicContact CB-CG1 3.81Å; M59-V66 CarbonylContact O-C 3.6Å; M59-V66 WeakPolarHBondContact O-CA 3.32Å; I60-V66 HydrophobicContact CG1-CG2 4.2Å; V66-H68 PolarHBondContact O-N 3.36Å; V66-A91 WeakPolarHBondContact O-CA 3.1Å; V66-K92 PolarHBondContact N-O 3.12Å; V66-K92 PolarHBondContact O-N 3.48Å; V66-I94 HydrophobicContact CG2-CB 4.26Å; V66-I94 HydrophobicContact CG2-CG1 4.28Å; V66-M97 HydrophobicContact CB-SD 4.09Å; V66-M97 HydrophobicContact CG1-SD 3.97Å; V66-M97 HydrophobicContact CG2-SD 4.36Å
67I96.7Very high94.3Very high46 Ų4647.4 Ų47.424%0.23625%0.249CC..EExtended strand (participates in β ladder)trans-82.2103.6163.7-46.1-179.2000106.8M59 F69 A89M59-I67 HydrophobicContact CB-CB 4.05Å; M59-I67 HydrophobicContact CB-CG1 4.43Å; M59-I67 PolarHBondContact N-O 2.98Å; M59-I67 PolarHBondContact O-N 2.74Å; M59-I67 HydrophobicContact SD-CD1 4.45Å; I67-F69 HydrophobicContact CB-CE2 4.39Å; I67-F69 HydrophobicContact CG2-CD2 4.36Å; I67-F69 HydrophobicContact CG2-CE2 3.6Å; I67-F69 HydrophobicContact CG2-CZ 3.98Å; I67-A89 HydrophobicContact CG2-CB 3.77Å
68H96.7Very high94Very high9 Ų952.6 Ų52.64%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-95.9134.6-179.1177.772.3000110.5E56 N58 V66 E90 K92E56-H68 IonicContact OE2-CE1 2.8Å; N58-H68 PolarHBondContact OD1-ND1 3.36Å; V66-H68 PolarHBondContact O-N 3.36Å; H68-E90 PolarHBondContact N-O 3.07Å; H68-E90 PolarHBondContact O-N 3.47Å; H68-K92 HydrophobicContact CB-CD 4.27Å
69F97.8Very high93.9Very high19 Ų1956.6 Ų56.68%0.08331%0.305CS..EExtended strand (participates in β ladder)trans-119.8125.1170.2-62.2-100.6000108.9E56 V57 M59 I67 P72 I85 H88 A89E56-F69 WeakPolarHBondContact CA-O 3.49Å; V57-F69 HydrophobicContact CB-CB 4.18Å; V57-F69 HydrophobicContact CB-CD2 4.2Å; V57-F69 HydrophobicContact CG1-CD2 4.15Å; V57-F69 PolarHBondContact N-O 2.87Å; V57-F69 PolarHBondContact O-N 2.74Å; M59-F69 HydrophobicContact CE-CE2 3.86Å; M59-F69 HydrophobicContact CE-CZ 4.32Å; M59-F69 HydrophobicContact CG-CE2 4.4Å; M59-F69 HydrophobicContact SD-CE2 4.15Å; I67-F69 HydrophobicContact CB-CE2 4.39Å; I67-F69 HydrophobicContact CG2-CD2 4.36Å; I67-F69 HydrophobicContact CG2-CE2 3.6Å; I67-F69 HydrophobicContact CG2-CZ 3.98Å; F69-P72 HydrophobicContact CB-CB 3.91Å; F69-P72 HydrophobicContact CB-CG 3.84Å; F69-I85 HydrophobicContact CD1-CG2 4.28Å; F69-I85 HydrophobicContact CD2-CG2 4.42Å; F69-I85 HydrophobicContact CE1-CG2 4.42Å; F69-I85 HydrophobicContact CG-CG2 4.27Å; F69-H88 VanDerWaalsContact CD1-O 3.26Å; F69-H88 WeakPolarHBondContact CD1-O 3.37Å; F69-A89 HydrophobicContact CD1-CB 4.09Å; F69-A89 HydrophobicContact CE1-CB 3.48Å; F69-A89 VanDerWaalsContact CE1-CB 3.48Å; F69-A89 HydrophobicContact CE2-CB 4.3Å; F69-A89 HydrophobicContact CZ-CB 3.59Å
70N96.4Very high93.8Very high102 Ų10254.9 Ų54.955%0.54530%0.303SS..EExtended strand (participates in β ladder)trans-96127.3174.3-166.2-65.5000109.9P72N70-P72 VanDerWaalsContact C-CD 3.5Å
71N96.7Very high93.8Very high113 Ų11358.6 Ų58.660%0.60432%0.323SS*.SBendtrans42.254.2-175-63.7120.7000115E55E55-N71 VanDerWaalsContact O-CA 3.3Å; E55-N71 WeakPolarHBondContact O-CA 2.9Å; E55-N71 PolarHBondContact O-N 2.8Å
72P97Very high94Very high9 Ų956.9 Ų56.96%0.05832%0.32CS..  trans-73.2155-178.830.1-33.8000112.7I54 V57 F69 N70 V74 I85I54-P72 HydrophobicContact CG2-CG 3.91Å; V57-P72 HydrophobicContact CB-CG 4.09Å; V57-P72 HydrophobicContact CG2-CG 3.6Å; F69-P72 HydrophobicContact CB-CB 3.91Å; F69-P72 HydrophobicContact CB-CG 3.84Å; N70-P72 VanDerWaalsContact C-CD 3.5Å; P72-V74 HydrophobicContact CB-CG2 4.37Å; P72-V74 HydrophobicContact CG-CG2 4.07Å; P72-V74 PolarHBondContact O-N 2.87Å; P72-I85 HydrophobicContact CB-CG2 3.93Å; P72-I85 HydrophobicContact CG-CG2 4.36Å
73K95.7Very high94.4Very high101 Ų10155.3 Ų55.344%0.43931%0.306SS..EExtended strand (participates in β ladder)trans-82.7114.8163.9175.9-175.4-179-173.60109N50 T86N50-K73 WeakPolarHBondContact ND2-CE 3.26Å; K73-T86 WeakPolarHBondContact CB-OG1 3.42Å; K73-T86 PolarHBondContact N-O 3.14Å; K73-T86 PolarHBondContact O-N 3.21Å; K73-T86 PolarHBondContact O-OG1 3.17Å
74V96.5Very high94.7Very high7 Ų751.7 Ų51.74%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-108.6133-180-178.40000110.5N50 I51 I54 V57 P72 A84 I85N50-V74 WeakPolarHBondContact CA-O 3.49Å; I51-V74 HydrophobicContact CD1-CG1 4.39Å; I51-V74 PolarHBondContact N-O 2.78Å; I54-V74 HydrophobicContact CB-CG2 4.1Å; I54-V74 HydrophobicContact CG1-CB 3.99Å; I54-V74 HydrophobicContact CG1-CG2 3.9Å; I54-V74 HydrophobicContact CG2-CG2 3.87Å; V57-V74 HydrophobicContact CG2-CG2 3.92Å; P72-V74 HydrophobicContact CB-CG2 4.37Å; P72-V74 HydrophobicContact CG-CG2 4.07Å; P72-V74 PolarHBondContact O-N 2.87Å; V74-A84 WeakPolarHBondContact CA-O 3.43Å; V74-I85 HydrophobicContact CG2-CG1 4.48Å; V74-I85 HydrophobicContact CG2-CG2 4.36Å
75Q95.2Very high95.1Very high8 Ų853.1 Ų53.14%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-119.7134.5168.5-46.1-177.6-82.100107.8V48 N49 N50 F83 A84V48-Q75 HydrophobicContact CB-CB 4.11Å; V48-Q75 HydrophobicContact CG2-CB 3.81Å; N49-Q75 CarbonylContact O-C 3.46Å; N49-Q75 VanDerWaalsContact O-CA 3.24Å; N49-Q75 WeakPolarHBondContact O-CA 3.22Å; N50-Q75 WeakPolarHBondContact OD1-CG 3.47Å; N50-Q75 PolarHBondContact OD1-NE2 3.06Å; Q75-F83 CarbonylContact O-C 3.58Å; Q75-A84 HydrophobicContact CB-CB 4.34Å; Q75-A84 PolarHBondContact N-O 3.3Å; Q75-A84 PolarHBondContact O-N 2.83Å
76A96Very high95.2Very high4 Ų453.8 Ų53.83%0.03330%0.296CS..EExtended strand (participates in β ladder)trans-136.8145.4-176.700000111.6V48 N49 I51 T82 F83V48-A76 WeakPolarHBondContact CA-O 3.31Å; N49-A76 PolarHBondContact N-O 2.87Å; N49-A76 PolarHBondContact O-N 2.77Å; I51-A76 HydrophobicContact CD1-CB 3.51Å; I51-A76 HydrophobicContact CG1-CB 4.11Å; A76-T82 CarbonylContact C-O 3.59Å; A76-T82 WeakPolarHBondContact CA-O 3.44Å; A76-F83 HydrophobicContact CB-CD1 3.49Å; A76-F83 VanDerWaalsContact CB-CD1 3.49Å; A76-F83 HydrophobicContact CB-CE1 3.62Å; A76-F83 HydrophobicContact CB-CG 4.32Å
77S95Very high95.2Very high3 Ų356.3 Ų56.32%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-122.61061651780000107.3L46 S79 A80 N81 T82L46-S77 WeakPolarHBondContact O-CB 3.34Å; L46-S77 PolarHBondContact O-OG 3.14Å; S77-S79 VanDerWaalsContact C-N 3.26Å; S77-S79 PolarHBondContact O-N 2.86Å; S77-S79 PolarHBondContact OG-OG 3.04Å; S77-A80 CarbonylContact O-C 3.57Å; S77-A80 PolarHBondContact O-N 3.05Å; S77-A80 WeakPolarHBondContact OG-CB 3.36Å; S77-A80 PolarHBondContact OG-N 3.31Å; S77-N81 PolarHBondContact O-N 3.45Å; S77-T82 PolarHBondContact N-O 3.13Å; S77-T82 PolarHBondContact O-N 3.48Å
78L91.1Very high95.1Very high134 Ų13460.7 Ų60.770%0.70234%0.341SS*.THydrogen-bonded Turntrans-65.9-33.6178.2-80.674.3000110.8A80 N81L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.03Å; L78-N81 PolarHBondContact O-N 3.31Å; L78-N81 PolarHBondContact O-OD1 3.37Å; L78-N81 VanDerWaalsContact O-OD1 3.08Å
79S92.8Very high95.1Very high112 Ų11262.5 Ų62.578%0.78336%0.358SS*.THydrogen-bonded Turntrans-67.3-32.5177.355.20000112.6S77S77-S79 VanDerWaalsContact C-N 3.26Å; S77-S79 PolarHBondContact O-N 2.86Å; S77-S79 PolarHBondContact OG-OG 3.04Å
80A93.4Very high95.1Very high41 Ų4165.3 Ų65.334%0.33937%0.371SS..THydrogen-bonded Turntrans-964.5177.300000113.4S77 L78 T82S77-A80 CarbonylContact O-C 3.57Å; S77-A80 PolarHBondContact O-N 3.05Å; S77-A80 WeakPolarHBondContact OG-CB 3.36Å; S77-A80 PolarHBondContact OG-N 3.31Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.03Å; A80-T82 PolarHBondContact O-N 2.96Å; A80-T82 PolarHBondContact O-OG1 2.77Å
81N93.9Very high95Very high140 Ų14064.3 Ų64.375%0.74938%0.377SS*.THydrogen-bonded Turntrans44.338.6-172-68.8-27000113.1S77 L78S77-N81 PolarHBondContact O-N 3.45Å; L78-N81 PolarHBondContact O-N 3.31Å; L78-N81 PolarHBondContact O-OD1 3.37Å; L78-N81 VanDerWaalsContact O-OD1 3.08Å
82T94.2Very high95Very high45 Ų4561.4 Ų61.428%0.27636%0.359SS..EExtended strand (participates in β ladder)trans-118.9125.5-172.3-62.80000110.1L46 A76 S77 A80L46-T82 HydrophobicContact CD1-CG2 4.43Å; A76-T82 CarbonylContact C-O 3.59Å; A76-T82 WeakPolarHBondContact CA-O 3.44Å; S77-T82 PolarHBondContact N-O 3.13Å; S77-T82 PolarHBondContact O-N 3.48Å; A80-T82 PolarHBondContact O-N 2.96Å; A80-T82 PolarHBondContact O-OG1 2.77Å
83F95.7Very high94.8Very high122 Ų12263.3 Ų63.354%0.53537%0.371SS..EExtended strand (participates in β ladder)trans-117.8125.1174.5-63-96.5000109.1Q75 A76Q75-F83 CarbonylContact O-C 3.58Å; A76-F83 HydrophobicContact CB-CD1 3.49Å; A76-F83 VanDerWaalsContact CB-CD1 3.49Å; A76-F83 HydrophobicContact CB-CE1 3.62Å; A76-F83 HydrophobicContact CB-CG 4.32Å
84A95Very high94.5Very high16 Ų1658.9 Ų58.913%0.13235%0.352CS..EExtended strand (participates in β ladder)trans-109.3119.7174.100000108.7L43 V74 Q75L43-A84 HydrophobicContact CD1-CB 3.93Å; L43-A84 HydrophobicContact CD2-CB 3.69Å; L43-A84 HydrophobicContact CG-CB 4.49Å; V74-A84 WeakPolarHBondContact CA-O 3.43Å; Q75-A84 HydrophobicContact CB-CB 4.34Å; Q75-A84 PolarHBondContact N-O 3.3Å; Q75-A84 PolarHBondContact O-N 2.83Å
85I96Very high94.2Very high47 Ų4762.1 Ų62.124%0.24137%0.372CS..EExtended strand (participates in β ladder)trans-118.6123.3-170.7-51.5-177.2000107V57 M59 F69 P72 V74V57-I85 HydrophobicContact CB-CD1 4.31Å; V57-I85 HydrophobicContact CB-CG2 4.31Å; V57-I85 HydrophobicContact CG1-CD1 3.42Å; V57-I85 VanDerWaalsContact CG1-CD1 3.42Å; V57-I85 HydrophobicContact CG1-CG2 4.29Å; V57-I85 HydrophobicContact CG2-CD1 4.07Å; V57-I85 HydrophobicContact CG2-CG2 4.13Å; M59-I85 HydrophobicContact CE-CD1 3.82Å; F69-I85 HydrophobicContact CD1-CG2 4.28Å; F69-I85 HydrophobicContact CD2-CG2 4.42Å; F69-I85 HydrophobicContact CE1-CG2 4.42Å; F69-I85 HydrophobicContact CG-CG2 4.27Å; P72-I85 HydrophobicContact CB-CG2 3.93Å; P72-I85 HydrophobicContact CG-CG2 4.36Å; V74-I85 HydrophobicContact CG2-CG1 4.48Å; V74-I85 HydrophobicContact CG2-CG2 4.36Å
86T93.6Very high94Very high52 Ų5268.2 Ų68.232%0.31940%0.4SS..EExtended strand (participates in β ladder)trans-127.2122-177.452.90000109.1K73K73-T86 WeakPolarHBondContact CB-OG1 3.42Å; K73-T86 PolarHBondContact N-O 3.14Å; K73-T86 PolarHBondContact O-N 3.21Å; K73-T86 PolarHBondContact O-OG1 3.17Å
87G93.7Very high93.8Very high52 Ų5269.5 Ų69.554%0.53641%0.406SS..SBendtrans168.6175.9-175.200000111
88H95.7Very high93.5Very high138 Ų13872.7 Ų72.764%0.63942%0.423SS*.  trans-72.7132.8171.1-174.264.3000109.7F69 E90F69-H88 VanDerWaalsContact CD1-O 3.26Å; F69-H88 WeakPolarHBondContact CD1-O 3.37Å; H88-E90 IonicContact CD2-OE1 3.54Å; H88-E90 IonicContact NE2-OE1 3.75Å
89A96.4Very high93.4Very high48 Ų4871.3 Ų71.340%0.39742%0.421SS..EExtended strand (participates in β ladder)trans-108.9124.6-179.400000109.3I67 F69I67-A89 HydrophobicContact CG2-CB 3.77Å; F69-A89 HydrophobicContact CD1-CB 4.09Å; F69-A89 HydrophobicContact CE1-CB 3.48Å; F69-A89 VanDerWaalsContact CE1-CB 3.48Å; F69-A89 HydrophobicContact CE2-CB 4.3Å; F69-A89 HydrophobicContact CZ-CB 3.59Å
90E96.2Very high93.3Very high78 Ų7868.4 Ų68.436%0.36441%0.409SS..EExtended strand (participates in β ladder)trans-111128.9174.2-66.4176.9177.600108.9H68 H88 K92H68-E90 PolarHBondContact N-O 3.07Å; H68-E90 PolarHBondContact O-N 3.47Å; H88-E90 IonicContact CD2-OE1 3.54Å; H88-E90 IonicContact NE2-OE1 3.75Å; E90-K92 WeakPolarHBondContact OE2-CE 3.43Å; E90-K92 IonicContact OE2-NZ 3.99Å; E90-K92 PolarHBondContact OE2-NZ 3.27Å
91A96.3Very high93.1Very high80 Ų8066.5 Ų66.566%0.66139%0.394SS*.EExtended strand (participates in β ladder)trans-86.4114.2171.300000108.6V66V66-A91 WeakPolarHBondContact O-CA 3.1Å
92K94.6Very high92.9Very high53 Ų5363.5 Ų63.523%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-116.7140.7178.6-64.6-178.1-179.5170.90110T65 V66 H68 E90T65-K92 CarbonylContact C-O 3.56Å; T65-K92 WeakPolarHBondContact CA-O 3.5Å; V66-K92 PolarHBondContact N-O 3.12Å; V66-K92 PolarHBondContact O-N 3.48Å; H68-K92 HydrophobicContact CB-CD 4.27Å; E90-K92 WeakPolarHBondContact OE2-CE 3.43Å; E90-K92 IonicContact OE2-NZ 3.99Å; E90-K92 PolarHBondContact OE2-NZ 3.27Å
93P93.2Very high92.7Very high48 Ų4866.5 Ų66.531%0.31240%0.4SS..EExtended strand (participates in β ladder)trans-64.9142.816730.3-34.4000109.4T95 E96P93-T95 PolarHBondContact O-N 2.9Å; P93-T95 VanDerWaalsContact O-N 3.07Å; P93-E96 VanDerWaalsContact CD-CD 3.47Å; P93-E96 WeakPolarHBondContact CD-OE1 3.3Å; P93-E96 HydrophobicContact CG-CB 4.14Å; P93-E96 VanDerWaalsContact CG-CD 3.42Å; P93-E96 HydrophobicContact CG-CG 3.67Å; P93-E96 VanDerWaalsContact CG-OE1 3.24Å; P93-E96 WeakPolarHBondContact CG-OE1 3.48Å; P93-E96 PolarHBondContact O-N 3.34Å
94I90.5Very high92.5Very high8 Ų864.8 Ų64.84%0.04139%0.393CS..G310 helixtrans-57.6-28-178.3-166.3166.1000112.6G64 V66 E96 M97 I101 L105 L113G64-I94 WeakPolarHBondContact O-CB 3.44Å; G64-I94 VanDerWaalsContact O-CG2 3.26Å; G64-I94 WeakPolarHBondContact O-CG2 3.49Å; G64-I94 PolarHBondContact O-N 3.32Å; V66-I94 HydrophobicContact CG2-CB 4.26Å; V66-I94 HydrophobicContact CG2-CG1 4.28Å; I94-E96 VanDerWaalsContact C-N 3.32Å; I94-E96 PolarHBondContact O-N 3.14Å; I94-M97 PolarHBondContact O-N 2.85Å; I94-I101 HydrophobicContact CG1-CG2 4.24Å; I94-L105 HydrophobicContact CD1-CD1 3.85Å; I94-L105 HydrophobicContact CD1-CD2 4.08Å; I94-L113 HydrophobicContact CD1-CD1 4.39Å; I94-L113 HydrophobicContact CG2-CD1 3.56Å
95T89.3Confident92.2Very high75 Ų7564.8 Ų64.846%0.4639%0.391SS..G310 helixtrans-64.7-31178.450.50000113.2P93 M97P93-T95 PolarHBondContact O-N 2.9Å; P93-T95 VanDerWaalsContact O-N 3.07Å; T95-M97 VanDerWaalsContact C-N 3.29Å; T95-M97 PolarHBondContact O-N 2.84Å
96E92Very high91.8Very high136 Ų13664.5 Ų64.564%0.63640%0.4SS*.G310 helixtrans-73.1-20.7176.6-80.4174.5-155.500113P93 I94P93-E96 VanDerWaalsContact CD-CD 3.47Å; P93-E96 WeakPolarHBondContact CD-OE1 3.3Å; P93-E96 HydrophobicContact CG-CB 4.14Å; P93-E96 VanDerWaalsContact CG-CD 3.42Å; P93-E96 HydrophobicContact CG-CG 3.67Å; P93-E96 VanDerWaalsContact CG-OE1 3.24Å; P93-E96 WeakPolarHBondContact CG-OE1 3.48Å; P93-E96 PolarHBondContact O-N 3.34Å; I94-E96 VanDerWaalsContact C-N 3.32Å; I94-E96 PolarHBondContact O-N 3.14Å
97M90.6Very high91.4Very high32 Ų3265.6 Ų65.616%0.15841%0.414CS..G310 helixtrans-95.84.4-179.8-58.2-166.471.400113.2V66 I94 T95 G100 I101V66-M97 HydrophobicContact CB-SD 4.09Å; V66-M97 HydrophobicContact CG1-SD 3.97Å; V66-M97 HydrophobicContact CG2-SD 4.36Å; I94-M97 PolarHBondContact O-N 2.85Å; T95-M97 VanDerWaalsContact C-N 3.29Å; T95-M97 PolarHBondContact O-N 2.84Å; M97-G100 PolarHBondContact O-N 2.75Å; M97-G100 VanDerWaalsContact O-N 3.14Å; M97-I101 HydrophobicContact CB-CB 3.79Å; M97-I101 HydrophobicContact CB-CG1 4.39Å; M97-I101 HydrophobicContact CB-CG2 3.96Å; M97-I101 HydrophobicContact CE-CD1 4.21Å; M97-I101 WeakPolarHBondContact O-CG2 3.33Å; M97-I101 PolarHBondContact O-N 3.47Å; M97-I101 HydrophobicContact SD-CD1 4.39Å
98L88.8Confident90.9Very high70 Ų7069.7 Ų69.737%0.36642%0.424SS..THydrogen-bonded Turntrans-78.9141.7175.5-67.3173.6000110.9I101 L102 L113L98-I101 HydrophobicContact CD2-CG2 3.78Å; L98-I101 HydrophobicContact CG-CG2 4.39Å; L98-L102 HydrophobicContact CD2-CD1 4.25Å; L98-L102 HydrophobicContact CD2-CD2 3.62Å; L98-L102 HydrophobicContact CD2-CG 3.67Å; L98-L113 HydrophobicContact CD2-CD2 4.15Å
99P89.9Confident90.2Very high104 Ų10465 Ų6568%0.67541%0.406SS*.THydrogen-bonded Turncis-89.3-7.53.734.1-34.9000114.6I101 L102P99-I101 VanDerWaalsContact C-N 3.34Å; P99-I101 PolarHBondContact O-N 2.75Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 VanDerWaalsContact O-CB 3.31Å; P99-L102 WeakPolarHBondContact O-CB 3.48Å; P99-L102 WeakPolarHBondContact O-CG 3.43Å; P99-L102 PolarHBondContact O-N 3.27Å; P99-L102 VanDerWaalsContact O-N 3.14Å
100G89.9Confident89.5Confident51 Ų5165.3 Ų65.353%0.52640%0.401SS..G310 helixtrans-58.8-39-16900000114.7M97 L102 S103M97-G100 PolarHBondContact O-N 2.75Å; M97-G100 VanDerWaalsContact O-N 3.14Å; G100-L102 PolarHBondContact O-N 3.01Å; G100-S103 PolarHBondContact O-OG 3.02Å
101I90.1Very high88.8Confident2 Ų264.8 Ų64.81%0.0140%0.403CS..G310 helixtrans-65-21.5-178.4-162.364.9000113.3N58 I94 M97 L98 P99 S103 Q104 L105N58-I101 HydrophobicContact CB-CD1 4.26Å; I94-I101 HydrophobicContact CG1-CG2 4.24Å; M97-I101 HydrophobicContact CB-CB 3.79Å; M97-I101 HydrophobicContact CB-CG1 4.39Å; M97-I101 HydrophobicContact CB-CG2 3.96Å; M97-I101 HydrophobicContact CE-CD1 4.21Å; M97-I101 WeakPolarHBondContact O-CG2 3.33Å; M97-I101 PolarHBondContact O-N 3.47Å; M97-I101 HydrophobicContact SD-CD1 4.39Å; L98-I101 HydrophobicContact CD2-CG2 3.78Å; L98-I101 HydrophobicContact CG-CG2 4.39Å; P99-I101 VanDerWaalsContact C-N 3.34Å; P99-I101 PolarHBondContact O-N 2.75Å; I101-S103 PolarHBondContact O-N 3.45Å; I101-S103 VanDerWaalsContact O-N 3.1Å; I101-Q104 HydrophobicContact CD1-CB 4.23Å; I101-Q104 WeakPolarHBondContact O-CB 3.24Å; I101-Q104 PolarHBondContact O-N 2.78Å; I101-L105 HydrophobicContact CG1-CD2 4.17Å; I101-L105 HydrophobicContact CG1-CG 4.37Å; I101-L105 HydrophobicContact CG2-CD1 4.47Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 3.14Å
102L89.2Confident88Confident77 Ų7764.1 Ų64.140%0.40339%0.393SS..G310 helixtrans-56.7-31.7-177.3-68.7174.7000112.8L98 P99 G100 Q104 L105 L110 L113L98-L102 HydrophobicContact CD2-CD1 4.25Å; L98-L102 HydrophobicContact CD2-CD2 3.62Å; L98-L102 HydrophobicContact CD2-CG 3.67Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 VanDerWaalsContact O-CB 3.31Å; P99-L102 WeakPolarHBondContact O-CB 3.48Å; P99-L102 WeakPolarHBondContact O-CG 3.43Å; P99-L102 PolarHBondContact O-N 3.27Å; P99-L102 VanDerWaalsContact O-N 3.14Å; G100-L102 PolarHBondContact O-N 3.01Å; L102-Q104 PolarHBondContact O-N 3.32Å; L102-L105 HydrophobicContact CD2-CD1 4.32Å; L102-L105 PolarHBondContact O-N 2.82Å; L102-L110 HydrophobicContact CD2-CD2 3.68Å; L102-L113 HydrophobicContact CD2-CD2 4.19Å
103S91.2Very high87.3Confident107 Ų10762.8 Ų62.875%0.74839%0.389SS*.G310 helixtrans-69.5-20.1177.463.30000114.1G100 I101G100-S103 PolarHBondContact O-OG 3.02Å; I101-S103 PolarHBondContact O-N 3.45Å; I101-S103 VanDerWaalsContact O-N 3.1Å
104Q90.5Very high86.8Confident87 Ų8768.5 Ų68.541%0.40740%0.404SS..THydrogen-bonded Turntrans-100.8-13.4-178.6-55.4-18012.500112.2E56 N58 I101 L102E56-Q104 PolarHBondContact OE1-NE2 3.35Å; N58-Q104 PolarHBondContact ND2-OE1 3.21Å; I101-Q104 HydrophobicContact CD1-CB 4.23Å; I101-Q104 WeakPolarHBondContact O-CB 3.24Å; I101-Q104 PolarHBondContact O-N 2.78Å; L102-Q104 PolarHBondContact O-N 3.32Å
105L89.2Confident86.4Confident16 Ų1674.4 Ų74.48%0.08443%0.43CS..  trans-80.7132.8178.6-61.9-175.2000111I60 I94 I101 L102 L110 L113I60-L105 HydrophobicContact CD1-CD2 3.46Å; I60-L105 VanDerWaalsContact CD1-CD2 3.46Å; I60-L105 HydrophobicContact CG1-CD2 4.02Å; I60-L105 HydrophobicContact CG2-CD2 4.28Å; I94-L105 HydrophobicContact CD1-CD1 3.85Å; I94-L105 HydrophobicContact CD1-CD2 4.08Å; I101-L105 HydrophobicContact CG1-CD2 4.17Å; I101-L105 HydrophobicContact CG1-CG 4.37Å; I101-L105 HydrophobicContact CG2-CD1 4.47Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 3.14Å; L102-L105 HydrophobicContact CD2-CD1 4.32Å; L102-L105 PolarHBondContact O-N 2.82Å; L105-L110 HydrophobicContact CB-CD2 4.12Å; L105-L110 HydrophobicContact CB-CG 4.17Å; L105-L110 HydrophobicContact CD1-CD2 3.88Å; L105-L113 HydrophobicContact CD1-CD2 4.2Å
106G86.5Confident85.9Confident41 Ų4173.4 Ų73.442%0.42342%0.421SS..  trans-74.5170165.100000112.2D108 S109 L110G106-D108 PolarHBondContact O-N 2.82Å; G106-S109 PolarHBondContact O-N 3Å; G106-L110 PolarHBondContact O-N 3.35Å
107A84.9Confident85.2Confident75 Ų7569.6 Ų69.662%0.6241%0.413SS*.Hα-helixtrans-55.9-36.2178.500000113.2L110 T111A107-L110 PolarHBondContact O-N 3.38Å; A107-T111 PolarHBondContact O-N 2.97Å; A107-T111 PolarHBondContact O-OG1 2.88Å
108D83.4Confident84.7Confident138 Ų13874.3 Ų74.374%0.73844%0.435SS*.Hα-helixtrans-66-46.7179.7-58.7-32.8000111.6G106 L110 T111 S112G106-D108 PolarHBondContact O-N 2.82Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 3.16Å; D108-T111 WeakPolarHBondContact O-CB 3.46Å; D108-T111 PolarHBondContact O-N 3.29Å; D108-T111 VanDerWaalsContact O-N 3.11Å; D108-S112 PolarHBondContact O-N 3.45Å
109S81.5Confident83.9Confident38 Ų3878.7 Ų78.727%0.26645%0.453SS..Hα-helixtrans-64.6-33.3178.6-51.90000112.4G106 T111 S112 L113G106-S109 PolarHBondContact O-N 3Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 3.3Å; S109-S112 PolarHBondContact O-N 3.25Å; S109-L113 WeakPolarHBondContact O-CB 3.46Å; S109-L113 PolarHBondContact O-N 2.8Å
110L81.7Confident82.9Confident55 Ų5580.4 Ų80.429%0.28845%0.45SS..Hα-helixtrans-66.4-33.7174.4-69.7174.1000112.3L102 L105 G106 A107 D108 L113 R114L102-L110 HydrophobicContact CD2-CD2 3.68Å; L105-L110 HydrophobicContact CB-CD2 4.12Å; L105-L110 HydrophobicContact CB-CG 4.17Å; L105-L110 HydrophobicContact CD1-CD2 3.88Å; G106-L110 PolarHBondContact O-N 3.35Å; A107-L110 PolarHBondContact O-N 3.38Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 3.16Å; L110-L113 PolarHBondContact O-N 3.2Å; L110-R114 WeakPolarHBondContact O-CB 3.36Å; L110-R114 WeakPolarHBondContact O-CG 3.46Å; L110-R114 PolarHBondContact O-N 2.97Å
111T82.3Confident81.5Confident67 Ų6782.2 Ų82.241%0.41145%0.453SS..Hα-helixtrans-69.1-41.1176.4-60.20000110.7A107 D108 S109 R114 K115A107-T111 PolarHBondContact O-N 2.97Å; A107-T111 PolarHBondContact O-OG1 2.88Å; D108-T111 WeakPolarHBondContact O-CB 3.46Å; D108-T111 PolarHBondContact O-N 3.29Å; D108-T111 VanDerWaalsContact O-N 3.11Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 3.3Å; T111-R114 PolarHBondContact O-N 3.2Å; T111-K115 WeakPolarHBondContact O-CG 3.46Å; T111-K115 PolarHBondContact O-N 3.35Å
112S79.3Confident80.1Confident66 Ų6692 Ų9246%0.46249%0.489SS..Hα-helixtrans-61.8-42.9172.3-59.60000111.8D108 S109 R114 K115 L116D108-S112 PolarHBondContact O-N 3.45Å; S109-S112 PolarHBondContact O-N 3.25Å; S112-R114 PolarHBondContact O-N 3.27Å; S112-K115 PolarHBondContact O-N 2.89Å; S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 PolarHBondContact O-N 3.41Å
113L80Confident78.4Confident25 Ų2596.4 Ų96.413%0.13151%0.508CS..Hα-helixtrans-62.9-41.5176.3-176.862.2000112.2I94 L98 L102 L105 S109 L110 L116 A117I94-L113 HydrophobicContact CD1-CD1 4.39Å; I94-L113 HydrophobicContact CG2-CD1 3.56Å; L98-L113 HydrophobicContact CD2-CD2 4.15Å; L102-L113 HydrophobicContact CD2-CD2 4.19Å; L105-L113 HydrophobicContact CD1-CD2 4.2Å; S109-L113 WeakPolarHBondContact O-CB 3.46Å; S109-L113 PolarHBondContact O-N 2.8Å; L110-L113 PolarHBondContact O-N 3.2Å; L113-L116 PolarHBondContact O-N 3.13Å; L113-A117 WeakPolarHBondContact O-CB 3.41Å; L113-A117 PolarHBondContact O-N 3.47Å
114R81.8Confident76.7Confident169 Ų16997.5 Ų97.564%0.63851%0.51SS*.Hα-helixtrans-61.9-46.1175.3-77.9179.3-176.9168.11.8111.9L110 T111 S112 L116 A117 E118L110-R114 WeakPolarHBondContact O-CB 3.36Å; L110-R114 WeakPolarHBondContact O-CG 3.46Å; L110-R114 PolarHBondContact O-N 2.97Å; T111-R114 PolarHBondContact O-N 3.2Å; S112-R114 PolarHBondContact O-N 3.27Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 3.41Å; R114-A117 PolarHBondContact O-N 2.9Å; R114-E118 WeakPolarHBondContact O-CB 3.43Å; R114-E118 VanDerWaalsContact O-CG 3.31Å; R114-E118 WeakPolarHBondContact O-CG 3.41Å; R114-E118 PolarHBondContact O-N 3.49Å
115K83Confident74.8Confident132 Ų132101 Ų10157%0.57453%0.531SS*.Hα-helixtrans-60-41.4176.3-72.7176.9179.21790111.8T111 S112 E118 Q119T111-K115 WeakPolarHBondContact O-CG 3.46Å; T111-K115 PolarHBondContact O-N 3.35Å; S112-K115 PolarHBondContact O-N 2.89Å; K115-E118 PolarHBondContact O-N 2.87Å; K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 3.02Å
116L77.3Confident72.7Confident54 Ų54107.7 Ų107.728%0.28357%0.566SS.*Hα-helixtrans-65.1-43.4175.8-164.3111.9000111.1S112 L113 R114 E118 Q119 F120S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 PolarHBondContact O-N 3.41Å; L113-L116 PolarHBondContact O-N 3.13Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 3.41Å; L116-E118 PolarHBondContact O-N 3.46Å; L116-Q119 PolarHBondContact O-N 3.44Å; L116-F120 HydrophobicContact CD2-CE2 4.39Å; L116-F120 WeakPolarHBondContact O-CD2 3.35Å; L116-F120 PolarHBondContact O-N 3.41Å
117A77.7Confident70.9Confident56 Ų56111 Ų11146%0.46358%0.583SS.*Hα-helixtrans-67.3-32.9178.400000113.3L113 R114 Q119 F120L113-A117 WeakPolarHBondContact O-CB 3.41Å; L113-A117 PolarHBondContact O-N 3.47Å; R114-A117 PolarHBondContact O-N 2.9Å; A117-Q119 VanDerWaalsContact C-N 3.3Å; A117-F120 PolarHBondContact O-N 3.37Å
118E80.9Confident68.8Low131 Ų131116.8 Ų116.861%0.61259%0.594SS**Hα-helixtrans-70.3-25.9175.8-75.8170.4-178.100112.9R114 K115 L116 F120R114-E118 WeakPolarHBondContact O-CB 3.43Å; R114-E118 VanDerWaalsContact O-CG 3.31Å; R114-E118 WeakPolarHBondContact O-CG 3.41Å; R114-E118 PolarHBondContact O-N 3.49Å; K115-E118 PolarHBondContact O-N 2.87Å; L116-E118 PolarHBondContact O-N 3.46Å; E118-F120 VanDerWaalsContact C-N 3.33Å
119Q72.2Confident66.8Low161 Ų161114.2 Ų114.275%0.75259%0.593SS**Hα-helixtrans-77.1-20.2174.3-71.7176.8-18.200112.9K115 L116 A117K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 3.02Å; L116-Q119 PolarHBondContact O-N 3.44Å; A117-Q119 VanDerWaalsContact C-N 3.3Å
120F67.5Low64.8Low140 Ų140118.3 Ų118.361%0.61462%0.618SS**SBendtrans-76.7128.6170.1-86.4-91000109.6L116 A117 E118 R122L116-F120 HydrophobicContact CD2-CE2 4.39Å; L116-F120 WeakPolarHBondContact O-CD2 3.35Å; L116-F120 PolarHBondContact O-N 3.41Å; A117-F120 PolarHBondContact O-N 3.37Å; E118-F120 VanDerWaalsContact C-N 3.33Å; F120-R122 PolarHBondContact O-N 3.03Å; F120-R122 VanDerWaalsContact O-N 3.15Å
121P61.2Low63.2Low90 Ų90125.3 Ų125.358%0.58465%0.646SS**  trans-57.9124.4177.521.2-29.8000109.4Q123P121-Q123 PolarHBondContact O-N 3.41Å
122R60.3Low61.2Low206 Ų206127.2 Ų127.278%0.77766%0.66SS**SBendtrans-62.312.7-178.5-74.2-168171.5-1700115.1F120 V124F120-R122 PolarHBondContact O-N 3.03Å; F120-R122 VanDerWaalsContact O-N 3.15Å; R122-V124 PolarHBondContact O-N 2.87Å
123Q53.6Low59.2Low171 Ų171132.6 Ų132.680%0.79968%0.678SS**THydrogen-bonded Turntrans-72.73.5-169.1-84.9176.7-37.300115.9P121P121-Q123 PolarHBondContact O-N 3.41Å
124V55.3Low57.4Low129 Ų129138.7 Ų138.778%0.78271%0.71SS**THydrogen-bonded Turntrans-115-2.1-177.3-114.70000115.3R122R122-V124 PolarHBondContact O-N 2.87Å
125L51.1Low55.5Low162 Ų162137.4 Ų137.485%0.84872%0.715SS**SBendtrans-111.9-3.4-175.9-67.1177.8000115.2
126D45.1Very low53.5Low155 Ų155137.6 Ų137.683%0.82972%0.722SS**SBendtrans-98.7-2.4180-142.634.7000114.1
127S48.3Very low52Low111 Ų111143.2 Ų143.278%0.77675%0.747SS**SBendtrans-97.413.8-177.3-51.40000114.8
128K41Very low50.6Low196 Ų196149.9 Ų149.985%0.85277%0.768SS**  trans-149.955.6-179.1-155.7176.1-177.9175.90113.9
129A42.7Very low49.2Very low85 Ų85151.6 Ų151.670%0.70278%0.782SS**  trans-102114.5158.500000108.6K131A129-K131 PolarHBondContact O-N 3.12Å
130P39.2Very low48.5Very low124 Ų124151.1 Ų151.181%0.80578%0.784SS**  trans-76.5105.8169.930.4-26.6000107.4
131K46.8Very low48Very low201 Ų201152.1 Ų152.187%0.87480%0.796SS**  trans-74.9127.2164.1-84.6-178.6177.2174.30108.3A129A129-K131 PolarHBondContact O-N 3.12Å
132P41.5Very low48.2Very low108 Ų108154.4 Ų154.470%0.70181%0.808SS**  trans-79.2134.4166.532.1-27.3000109.1
133E36.9Very low48.5Very low179 Ų179150.1 Ų150.184%0.83681%0.807SS**  trans6696.4148.3-57.5-178.7176.500118.3
134D42.5Very low49.1Very low152 Ų152148.7 Ų148.781%0.81381%0.805SS**  trans16792.2140.5-90-25.3000105.5
135I40.7Very low49.7Very low143 Ų143151.5 Ų151.573%0.73381%0.814SS**  53.5120.295-56.4174.2000112.4
136D42.1Very low50Low136 Ų136149.4 Ų149.473%0.72781%0.808SS**  trans92.8111.3165.9-63.5-21.8000119.5
137E45.3Very low50.6Low172 Ų172150 Ų15080%0.80481%0.806SS**  trans65.7102135-58.8-179.2173.200118.4
138E48.3Very low51.1Low195 Ų195151 Ų15191%0.91180%0.803SS**  trans165.4101.2131-87.9169.2-167.600110D140E138-D140 PolarHBondContact O-N 3.25Å
139D51.8Low52.2Low168 Ų168150.4 Ų150.490%0.89880%0.801SS**  trans-97.951.9-172.7-159.116.4000110.8
140D56.3Low53.2Low150 Ų150152.4 Ų152.480%0.80280%0.799SS**  trans-144.123.1-162.7-111.8-20.4000117.4E138E138-D140 PolarHBondContact O-N 3.25Å
141D59Low54.1Low162 Ų162154 Ų15487%0.86680%0.796SS**  trans-142.334.2-176.9-99.4-29.8000115.9P143D141-P143 VanDerWaalsContact O-CD 3.28Å; D141-P143 WeakPolarHBondContact O-CD 3.42Å
142V64.1Low54.8Low137 Ų137148.5 Ų148.583%0.8379%0.788SS**  trans-96.8105.4164-176.60000109.1D144V142-D144 PolarHBondContact O-N 2.96Å
143P67.1Low55.8Low117 Ų117148.2 Ų148.276%0.7679%0.789SS**  trans-65.8126.6172.624.1-30.4000110D141D141-P143 VanDerWaalsContact O-CD 3.28Å; D141-P143 WeakPolarHBondContact O-CD 3.42Å
144D67.1Low57.1Low141 Ų141147.6 Ų147.675%0.75478%0.783SS**  trans-55.9137.4178.7-88-32.7000111.5V142 V146V142-D144 PolarHBondContact O-N 2.96Å; D144-V146 HydrophobicContact CB-CG1 4.48Å; D144-V146 PolarHBondContact O-N 3.07Å
145L66.5Low58.1Low187 Ų187147.8 Ų147.898%0.97978%0.784SS**  trans-69.775.4177.9-151.186.7000109.7
146V57.6Low59.2Low118 Ų118150 Ų15072%0.71579%0.792SS**  trans-83.1126.2175.3-71.50000110D144D144-V146 HydrophobicContact CB-CG1 4.48Å; D144-V146 PolarHBondContact O-N 3.07Å
147E58.5Low60Low168 Ų168147.8 Ų147.879%0.78579%0.792SS**  trans97.8101.2168-54.6-172177.300116.8F149E147-F149 VanDerWaalsContact O-CD2 3.31Å; E147-F149 WeakPolarHBondContact O-CD2 3.49Å; E147-F149 PolarHBondContact O-N 3.4Å
148N58.6Low60.2Low132 Ų132151 Ų15171%0.70681%0.814SS**  trans-68.7101.1173-15610.7000108.7D150 E151N148-D150 PolarHBondContact O-N 3.16Å; N148-E151 PolarHBondContact O-N 3.13Å
149F63.7Low60.8Low184 Ų184148.8 Ų148.881%0.80781%0.81SS**THydrogen-bonded Turntrans-59-2.2-176.3-82.6-94.2000115.4E147E147-F149 VanDerWaalsContact O-CD2 3.31Å; E147-F149 WeakPolarHBondContact O-CD2 3.49Å; E147-F149 PolarHBondContact O-N 3.4Å
150D63Low61.3Low127 Ų127147.7 Ų147.768%0.67981%0.805SS**THydrogen-bonded Turntrans-79.3-11.2177.1-79.6-24000114.4N148N148-D150 PolarHBondContact O-N 3.16Å
151E59.5Low61.5Low157 Ų157147.6 Ų147.673%0.73481%0.805SS**SBendtrans-87.5-23.8-178.7-132.1175.3-164.400114.2N148 S153N148-E151 PolarHBondContact O-N 3.13Å; E151-S153 PolarHBondContact O-N 2.98Å
152A61.2Low61.7Low86 Ų86146.8 Ų146.871%0.71180%0.802SS**G310 helixtrans-67.8-18178.800000113.7
153S62.6Low61.5Low102 Ų102147.4 Ų147.471%0.71380%0.8SS**G310 helixtrans-91.43.6-175.6-59.40000114.7E151E151-S153 PolarHBondContact O-N 2.98Å
154K63.4Low61.2Low165 Ų165149.4 Ų149.472%0.71780%0.802SS**G310 helixtrans-97.6-5.8-178.7-78.3178.9-177.9167.70115.5
155N64.1Low60.7Low156 Ų156150 Ų15083%0.83481%0.806SS**SBendtrans-1037.4-175.1-85.2-8.4000115.8
156E64.4Low60.3Low190 Ų190147.2 Ų147.289%0.88879%0.793SS**SBendtrans-102.814.2177.6-72.3-165.3154.500114.9
157A57.2Low60.5Low89 Ų89149.6 Ų149.674%0.73680%0.799SS**  trans-110.685.2173.800000111.3
158N50.3Low60.7Low239 Ų239147.9 Ų147.9100%1.27880%0.8SS**  trans-153.90153.2-121.46.3000110.9

Retrieved 158 of 158 residues in 525.8 ms (Link to these results)