A0A087XY82_POEFO Loading...

RNA-binding protein 8A

Core component of the splicing-dependent multiprotein exon junction complex (EJC) deposited at splice junctions on mRNAs.

AlphaFold DB (A0A3B3U0G8), UniProt , Accession A0A087XY82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 175 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
1M37.3Very low44.2Very low239 Ų239145.9 Ų145.9100%1.17783%0.828SS**  0102.90-72.7169179.300104.8
2A38.9Very low44.6Very low94 Ų94140.3 Ų140.378%0.77783%0.827SS**  trans-83.3117.4173.800000105.8V4A2-V4 PolarHBondContact O-N 3.05Å
3D41.2Very low45.5Very low160 Ų160143.4 Ų143.486%0.85683%0.828SS**  trans-64.1107.9169.7-82.8-39.5000107.4L5D3-L5 PolarHBondContact O-N 2.88Å
4V42.3Very low47.4Very low124 Ų124144 Ų14475%0.75283%0.827SS**  trans-69.8108.5169.4178.70000104.9A2 D6A2-V4 PolarHBondContact O-N 3.05Å; V4-D6 PolarHBondContact O-N 3.05Å
5L44Very low49.3Very low159 Ų159147.7 Ų147.783%0.83283%0.83SS**  trans-58.5107.3167.5-73165.7000107.1D3 L7D3-L5 PolarHBondContact O-N 2.88Å; L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 PolarHBondContact O-N 3.32Å
6D42.1Very low51.1Low143 Ų143145.1 Ų145.177%0.76582%0.821SS**  trans-6197.7165-95.9-35.7000107.1V4 H8V4-D6 PolarHBondContact O-N 3.05Å; D6-H8 PolarHBondContact O-N 2.93Å
7L52Low52.9Low168 Ų168145.9 Ų145.988%0.8882%0.819SS**  trans-54.893.2159.8-89.4146.5000106.5L5 E9L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 PolarHBondContact O-N 3.32Å; L7-E9 PolarHBondContact O-N 3.44Å
8H46.3Very low54.6Low176 Ų176142.3 Ų142.382%0.81580%0.797SS**  trans-49129.5163.7-88.866.2000107.2D6 A10D6-H8 PolarHBondContact O-N 2.93Å; H8-A10 PolarHBondContact O-N 3.39Å
9E43.6Very low56.3Low187 Ų187140.4 Ų140.487%0.87478%0.781SS**  trans-34.2126.9-179.2-68.3169.1132.700110.7L7 G11L7-E9 PolarHBondContact O-N 3.44Å; E9-G11 PolarHBondContact O-N 3.45Å
10A53.9Low57.7Low106 Ų106138.7 Ų138.788%0.87677%0.771SS**  trans-61.681.6155.400000106.4H8 G12H8-A10 PolarHBondContact O-N 3.39Å; A10-G12 PolarHBondContact O-N 2.74Å
11G44.7Very low59Low49 Ų49132.8 Ų132.851%0.50574%0.742SS.*  trans-50129.2167.100000105.9E9 E13E9-G11 PolarHBondContact O-N 3.45Å; G11-E13 PolarHBondContact O-N 3.3Å
12G48.6Very low61.5Low79 Ų79126.4 Ų126.481%0.81471%0.712SS**  trans-6468.916700000109A10 D14A10-G12 PolarHBondContact O-N 2.74Å; G12-D14 VanDerWaalsContact C-N 3.33Å; G12-D14 PolarHBondContact O-N 2.98Å
13E56.3Low63.8Low180 Ų180128.5 Ų128.584%0.84171%0.706SS**  trans-69.698.9167.8-64.4-166.4160.800105.2G11 F15G11-E13 PolarHBondContact O-N 3.3Å; E13-F15 PolarHBondContact O-N 3.16Å; E13-F15 VanDerWaalsContact O-N 3.16Å
14D72.4Confident66Low152 Ų152124.2 Ų124.281%0.81369%0.689SS**PPolyproline II helixtrans-47.5124.9165-75-36.1000107.5G12 P16G12-D14 VanDerWaalsContact C-N 3.33Å; G12-D14 PolarHBondContact O-N 2.98Å; D14-P16 VanDerWaalsContact O-N 3.15Å
15F76.1Confident68.2Low200 Ų200122.3 Ų122.388%0.87767%0.673SS**PPolyproline II helixtrans-48.8127.6171.6-71.4-80.4000107.9E13 M17E13-F15 PolarHBondContact O-N 3.16Å; E13-F15 VanDerWaalsContact O-N 3.16Å; F15-M17 PolarHBondContact O-N 3.22Å
16P78.5Confident70.3Confident105 Ų105120 Ų12068%0.68266%0.658SS**PPolyproline II helixtrans-58.8133.9-178.124.4-33.4000109D14 D18D14-P16 VanDerWaalsContact O-N 3.15Å; P16-D18 PolarHBondContact O-N 3.21Å; P16-D18 VanDerWaalsContact O-N 3.14Å
17M81.8Confident72.6Confident160 Ų160119.5 Ų119.579%0.78865%0.649SS**PPolyproline II helixtrans-56.7120.8175.4-177-169.1-78.900109.3F15 E19F15-M17 PolarHBondContact O-N 3.22Å; M17-E19 HydrophobicContact CG-CG 4.13Å; M17-E19 HydrophobicContact SD-CG 3.96Å
18D83.3Confident74.3Confident80 Ų80117.5 Ų117.543%0.42864%0.639SS.*  trans-121.176.8-179.9-173.810.3000109.4P16 D20 G21 D22P16-D18 PolarHBondContact O-N 3.21Å; P16-D18 VanDerWaalsContact O-N 3.14Å; D18-D20 PolarHBondContact O-N 2.96Å; D18-G21 PolarHBondContact O-N 3.34Å; D18-G21 VanDerWaalsContact O-N 3.15Å; D18-G21 PolarHBondContact OD1-N 3.39Å; D18-G21 VanDerWaalsContact OD1-N 3.15Å; D18-D22 PolarHBondContact O-N 2.78Å
19E86.6Confident76.3Confident106 Ų106115 Ų11550%0.49563%0.625SS.*Hα-helixtrans-53.7-41.9-178.1-62.9-179.6160.700111.7M17 D22 E23 R159M17-E19 HydrophobicContact CG-CG 4.13Å; M17-E19 HydrophobicContact SD-CG 3.96Å; E19-D22 PolarHBondContact O-N 3.28Å; E19-E23 WeakPolarHBondContact O-CB 3.49Å; E19-E23 WeakPolarHBondContact O-CG 3.37Å; E19-E23 PolarHBondContact O-N 2.81Å; E19-R159 IonicContact OE2-NH2 3.88Å
20D85Confident78.4Confident106 Ų106112.5 Ų112.557%0.56761%0.614SS**Hα-helixtrans-67.3-43.5-179.3-64.9-37.5000110.8D18 S24D18-D20 PolarHBondContact O-N 2.96Å; D20-S24 WeakPolarHBondContact O-CB 3.42Å; D20-S24 PolarHBondContact O-N 3.29Å
21G85Confident80.2Confident16 Ų16112.7 Ų112.717%0.16560%0.595CS.*Hα-helixtrans-61.3-46.6174.500000112.5D18 S24 I25D18-G21 PolarHBondContact O-N 3.34Å; D18-G21 VanDerWaalsContact O-N 3.15Å; D18-G21 PolarHBondContact OD1-N 3.39Å; D18-G21 VanDerWaalsContact OD1-N 3.15Å; G21-S24 PolarHBondContact O-N 3.44Å; G21-S24 PolarHBondContact O-OG 2.83Å; G21-I25 WeakPolarHBondContact O-CG1 3.37Å; G21-I25 PolarHBondContact O-N 3.42Å; G21-I25 VanDerWaalsContact O-N 3.09Å
22D88.6Confident82.2Confident104 Ų104112.6 Ų112.656%0.55659%0.589SS**Hα-helixtrans-62.8-44.9178.9-74.9-27.7000112.2D18 E19 S24 I25 H26D18-D22 PolarHBondContact O-N 2.78Å; E19-D22 PolarHBondContact O-N 3.28Å; D22-S24 VanDerWaalsContact C-N 3.33Å; D22-S24 PolarHBondContact O-N 3.18Å; D22-I25 PolarHBondContact O-N 3.31Å; D22-H26 PolarHBondContact O-N 3.05Å
23E88.6Confident84.1Confident139 Ų139115.2 Ų115.265%0.6558%0.578SS**Hα-helixtrans-61.1-40.6175.1-77.3-173-179.200111.8E19 H26 K27E19-E23 WeakPolarHBondContact O-CB 3.49Å; E19-E23 WeakPolarHBondContact O-CG 3.37Å; E19-E23 PolarHBondContact O-N 2.81Å; E23-H26 WeakPolarHBondContact O-CB 3.22Å; E23-H26 PolarHBondContact O-N 2.82Å; E23-K27 PolarHBondContact O-N 3.5Å
24S86.4Confident85.5Confident70 Ų70116.1 Ų116.149%0.4958%0.579SS.*Hα-helixtrans-63.8-42.7179.280.40000112.2D20 G21 D22 H26 K27 L28D20-S24 WeakPolarHBondContact O-CB 3.42Å; D20-S24 PolarHBondContact O-N 3.29Å; G21-S24 PolarHBondContact O-N 3.44Å; G21-S24 PolarHBondContact O-OG 2.83Å; D22-S24 VanDerWaalsContact C-N 3.33Å; D22-S24 PolarHBondContact O-N 3.18Å; S24-H26 VanDerWaalsContact C-N 3.33Å; S24-H26 PolarHBondContact O-N 3.33Å; S24-K27 PolarHBondContact O-N 2.88Å; S24-L28 WeakPolarHBondContact O-CB 3.38Å; S24-L28 PolarHBondContact O-N 3.49Å
25I88.6Confident86.1Confident84 Ų84115.8 Ų115.843%0.43157%0.567SS.*Hα-helixtrans-64.9-40.1176-68.3170000110.1G21 D22 L28 K29G21-I25 WeakPolarHBondContact O-CG1 3.37Å; G21-I25 PolarHBondContact O-N 3.42Å; G21-I25 VanDerWaalsContact O-N 3.09Å; D22-I25 PolarHBondContact O-N 3.31Å; I25-L28 PolarHBondContact O-N 2.64Å; I25-K29 HydrophobicContact CG2-CD 4.05Å; I25-K29 WeakPolarHBondContact O-CG 3.41Å; I25-K29 PolarHBondContact O-N 2.75Å
26H87.3Confident86.6Confident110 Ų110115.9 Ų115.951%0.50957%0.567SS.*Hα-helixtrans-60.3-51.2176.2-171.6-88.5000111.3D22 E23 S24 L28 K29 E30D22-H26 PolarHBondContact O-N 3.05Å; E23-H26 WeakPolarHBondContact O-CB 3.22Å; E23-H26 PolarHBondContact O-N 2.82Å; S24-H26 VanDerWaalsContact C-N 3.33Å; S24-H26 PolarHBondContact O-N 3.33Å; H26-L28 VanDerWaalsContact C-N 3.31Å; H26-L28 PolarHBondContact O-N 2.89Å; H26-K29 WeakPolarHBondContact O-CB 3.21Å; H26-K29 PolarHBondContact O-N 3.41Å; H26-K29 VanDerWaalsContact O-N 3.1Å; H26-E30 IonicContact CE1-OE1 3.17Å; H26-E30 PolarHBondContact CE1-OE1 3.05Å; H26-E30 IonicContact CE1-OE2 3.69Å; H26-E30 IonicContact ND1-OE1 3.8Å; H26-E30 IonicContact ND1-OE2 3.49Å; H26-E30 PolarHBondContact ND1-OE2 2.96Å; H26-E30 PolarHBondContact O-N 3.36Å
27K90.3Very high87Confident133 Ų133113.3 Ų113.358%0.57856%0.559SS**Hα-helixtrans-59.3-40.3177.9-172.4177.8-178.3-1790112.2E23 S24 E30 K31E23-K27 PolarHBondContact O-N 3.5Å; S24-K27 PolarHBondContact O-N 2.88Å; K27-E30 PolarHBondContact O-N 2.97Å; K27-K31 WeakPolarHBondContact O-CG 3.28Å; K27-K31 PolarHBondContact O-N 3.47Å
28L88.9Confident87.2Confident126 Ų126118.1 Ų118.166%0.6657%0.569SS**Hα-helixtrans-63.1-42175.7-175.265.4000111.7S24 I25 H26 K31 A32S24-L28 WeakPolarHBondContact O-CB 3.38Å; S24-L28 PolarHBondContact O-N 3.49Å; I25-L28 PolarHBondContact O-N 2.64Å; H26-L28 VanDerWaalsContact C-N 3.31Å; H26-L28 PolarHBondContact O-N 2.89Å; L28-K31 PolarHBondContact O-N 3.42Å; L28-A32 PolarHBondContact O-N 2.87Å
29K88.3Confident87.2Confident123 Ų123118 Ų11854%0.53559%0.586SS.*Hα-helixtrans-66.8-35.8176.8-74.3171.5179.9170.90112.6I25 H26 A32 R35I25-K29 HydrophobicContact CG2-CD 4.05Å; I25-K29 WeakPolarHBondContact O-CG 3.41Å; I25-K29 PolarHBondContact O-N 2.75Å; H26-K29 WeakPolarHBondContact O-CB 3.21Å; H26-K29 PolarHBondContact O-N 3.41Å; H26-K29 VanDerWaalsContact O-N 3.1Å; K29-A32 PolarHBondContact O-N 2.81Å; K29-R35 PolarHBondContact O-NH1 3.42Å
30E87.8Confident86.7Confident135 Ų135118 Ų11863%0.63158%0.584SS**Hα-helixtrans-69.6-37.8175.7-73.1-174136.800112.4H26 K27 A32H26-E30 IonicContact CE1-OE1 3.17Å; H26-E30 PolarHBondContact CE1-OE1 3.05Å; H26-E30 IonicContact CE1-OE2 3.69Å; H26-E30 IonicContact ND1-OE1 3.8Å; H26-E30 IonicContact ND1-OE2 3.49Å; H26-E30 PolarHBondContact ND1-OE2 2.96Å; H26-E30 PolarHBondContact O-N 3.36Å; K27-E30 PolarHBondContact O-N 2.97Å; E30-A32 PolarHBondContact O-N 3.32Å
31K90.4Very high85.8Confident110 Ų110116.2 Ų116.248%0.47859%0.591SS.*Hα-helixtrans-64.3-20.7175.1-78.3-172.2170.1-164.80113.3K27 L28 K33 D55K27-K31 WeakPolarHBondContact O-CG 3.28Å; K27-K31 PolarHBondContact O-N 3.47Å; L28-K31 PolarHBondContact O-N 3.42Å; K31-K33 PolarHBondContact O-N 2.81Å; K31-K33 VanDerWaalsContact O-N 3.08Å; K31-D55 IonicContact NZ-OD2 2.82Å; K31-D55 PolarHBondContact NZ-OD2 3.31Å
32A88.6Confident84.2Confident46 Ų46123.9 Ų123.938%0.3863%0.627SS.*  trans-70.4103.5-176.100000112.9L28 K29 E30 K34L28-A32 PolarHBondContact O-N 2.87Å; K29-A32 PolarHBondContact O-N 2.81Å; E30-A32 PolarHBondContact O-N 3.32Å; A32-K34 VanDerWaalsContact C-N 3.29Å; A32-K34 PolarHBondContact O-N 3.28Å
33K87.1Confident82.1Confident134 Ų134128.1 Ų128.158%0.58364%0.644SS**  trans-72.1-12.6-179.9-64.2-162.4177.3160.90115.8K31 E52K31-K33 PolarHBondContact O-N 2.81Å; K31-K33 VanDerWaalsContact O-N 3.08Å; K33-E52 HydrophobicContact CD-CG 4Å; K33-E52 WeakPolarHBondContact CD-OE1 3.12Å; K33-E52 VanDerWaalsContact CD-OE2 3.22Å; K33-E52 WeakPolarHBondContact CD-OE2 3.47Å; K33-E52 WeakPolarHBondContact CE-OE1 3.38Å; K33-E52 VanDerWaalsContact NZ-CG 3.28Å; K33-E52 IonicContact NZ-OE1 2.59Å; K33-E52 PolarHBondContact NZ-OE1 2.96Å; K33-E52 IonicContact NZ-OE2 3.86Å
34K86.3Confident80.1Confident200 Ų200130.6 Ų130.687%0.8766%0.656SS**  trans-126.6120.9-179.8-67.2178-174.8167.10110.1A32A32-K34 VanDerWaalsContact C-N 3.29Å; A32-K34 PolarHBondContact O-N 3.28Å
35R84.8Confident78.2Confident145 Ų145130.9 Ų130.955%0.54767%0.67SS.*  trans-128.3129.2178.2-57.2172.880.2117.7-9.4109K29 F40K29-R35 PolarHBondContact O-NH1 3.42Å; R35-F40 HydrophobicContact CB-CD1 4.27Å; R35-F40 HydrophobicContact CB-CD2 4.48Å; R35-F40 HydrophobicContact CB-CE1 4.25Å; R35-F40 HydrophobicContact CB-CE2 4.48Å; R35-F40 HydrophobicContact CB-CG 4.38Å; R35-F40 HydrophobicContact CB-CZ 4.36Å; R35-F40 HydrophobicContact CG-CE1 4.37Å
36K86.9Confident76.2Confident202 Ų202132.8 Ų132.888%0.87869%0.69SS**  trans-149.2140.3177.8-178.5-177.5177-174.40109.2F40K36-F40 VanDerWaalsContact O-CE2 3.29Å; K36-F40 WeakPolarHBondContact O-CE2 3.34Å
37G86.3Confident74.4Confident51 Ų51139.5 Ų139.553%0.52671%0.711SS.*SBendtrans132.5166.6178.600000111.3G39G37-G39 VanDerWaalsContact C-N 3.27Å; G37-G39 PolarHBondContact O-N 3.12Å
38R85.7Confident72.4Confident261 Ų261138.7 Ų138.799%0.98572%0.723SS**G310 helixtrans-75-14.6-178.1-66-179.4-179.5176.4-0.1113.6F40R38-F40 PolarHBondContact O-N 3.14Å
39G83.8Confident70.6Confident76 Ų76144.9 Ų144.978%0.78474%0.737SS**G310 helixtrans-78.315.3177.600000115.6G37G37-G39 VanDerWaalsContact C-N 3.27Å; G37-G39 PolarHBondContact O-N 3.12Å
40F76.7Confident68.4Low106 Ų106142.4 Ų142.447%0.46574%0.74SS.*G310 helixtrans-126.55.9-171.1-66.9-69.2000115.8R35 K36 R38R35-F40 HydrophobicContact CB-CD1 4.27Å; R35-F40 HydrophobicContact CB-CD2 4.48Å; R35-F40 HydrophobicContact CB-CE1 4.25Å; R35-F40 HydrophobicContact CB-CE2 4.48Å; R35-F40 HydrophobicContact CB-CG 4.38Å; R35-F40 HydrophobicContact CB-CZ 4.36Å; R35-F40 HydrophobicContact CG-CE1 4.37Å; K36-F40 VanDerWaalsContact O-CE2 3.29Å; K36-F40 WeakPolarHBondContact O-CE2 3.34Å; R38-F40 PolarHBondContact O-N 3.14Å
41G66.4Low66.7Low70 Ų70146.2 Ų146.272%0.72275%0.754SS**  trans-101.2131.517300000110.4
42L49.9Very low64.3Low176 Ų176146.2 Ų146.292%0.92176%0.756SS**SBendcis-127.1126.926.7-67.1127.8000112.9
43E46Very low62.2Low194 Ų194151.8 Ų151.891%0.90778%0.779SS**  -178159.1122.9-99.9-157161.200110.9
44E46.4Very low59.7Low190 Ų190156 Ų15689%0.88879%0.793SS**  trans-69143.7-152.2-64.2-179.5127.300117.8
45G46.7Very low57.8Low77 Ų77152.2 Ų152.279%0.79478%0.782SS**  62.5104.3122.300000120.8
46S46Very low55.8Low123 Ų123151 Ų15186%0.8679%0.791SS**  168.2128.7113.1-174.80000110.2
47R49.7Very low54.1Low252 Ų252147.6 Ų147.695%0.95179%0.787SS**  trans-95.4121.1177.6-71.8175.5169.4167.5-2.2109.3
48S47Very low52.1Low116 Ų116153.5 Ų153.581%0.81180%0.801SS**  trans-134.2132.4155.462.80000110.4
49R51.8Low50Low256 Ų256148.7 Ų148.797%0.96679%0.789SS**  trans-91.4114-175-177.2-178.9-174.6176.61.3108
50A42.3Very low48.1Very low71 Ų71152.4 Ų152.459%0.58779%0.791SS**  trans-134.7134165.900000110.1
51K51.5Low47Very low214 Ų214150.9 Ų150.993%0.9381%0.805SS**  trans-58134.6178.3-167.2179.4-179.6-174.60109.5
52E41.3Very low46.6Very low111 Ų111154 Ų15452%0.51981%0.805SS.*  trans-123.8124.9176.3-75.1-165.2129.700111.4K33K33-E52 HydrophobicContact CD-CG 4Å; K33-E52 WeakPolarHBondContact CD-OE1 3.12Å; K33-E52 VanDerWaalsContact CD-OE2 3.22Å; K33-E52 WeakPolarHBondContact CD-OE2 3.47Å; K33-E52 WeakPolarHBondContact CE-OE1 3.38Å; K33-E52 VanDerWaalsContact NZ-CG 3.28Å; K33-E52 IonicContact NZ-OE1 2.59Å; K33-E52 PolarHBondContact NZ-OE1 2.96Å; K33-E52 IonicContact NZ-OE2 3.86Å
53D43.4Very low47.3Very low162 Ų162153.2 Ų153.287%0.86680%0.797SS**  trans-58.8148.1149.7-107.8-24.9000109.9
54Y35.4Very low48.7Very low223 Ų223145.9 Ų145.988%0.87577%0.766SS**  trans-76.6133.4174.5-71.5-89.2000110.5
55D45.4Very low50.7Low120 Ų120138.3 Ų138.364%0.64274%0.739SS**  trans-86.2106.7173.4-162.12.1000107.5K31K31-D55 IonicContact NZ-OD2 2.82Å; K31-D55 PolarHBondContact NZ-OD2 3.31Å
56T42.9Very low52.9Low120 Ų120135.8 Ų135.874%0.73671%0.709SS**PPolyproline II helixtrans-86.2120.7172.8-58.10000108.1E58T56-E58 PolarHBondContact O-N 2.79Å
57V50.7Low55.2Low130 Ų130134.1 Ų134.179%0.78869%0.688SS**PPolyproline II helixtrans-76.9119.9173.6-177.80000108.1
58E44.6Very low57.3Low176 Ų176126.9 Ų126.982%0.82266%0.66SS**PPolyproline II helixtrans-69.7131.1169.7-65.7-167.4144.400109.9T56T56-E58 PolarHBondContact O-N 2.79Å
59Q42.5Very low59.6Low159 Ų159122.6 Ų122.674%0.74363%0.63SS**  trans-92.598.4-180-171.1174.315.100108.6G61Q59-G61 PolarHBondContact O-N 3.28Å
60D43.3Very low61.6Low155 Ų155116.9 Ų116.983%0.82962%0.624SS**  trans-71.5123168.8-78.2-48.8000109.5D62D60-D62 PolarHBondContact O-N 3.31Å
61G54.7Low63.9Low73 Ų73120.8 Ų120.875%0.75363%0.63SS**SBendtrans-67.1107-17200000114.6Q59Q59-G61 PolarHBondContact O-N 3.28Å
62D57.5Low66Low136 Ų136110.6 Ų110.673%0.72759%0.585SS**  trans-149.571.8149.4-110.5-56.5000105.3D60 P64D60-D62 PolarHBondContact O-N 3.31Å; D62-P64 WeakPolarHBondContact O-CD 3.43Å
63E64.7Low68.6Low160 Ų160107.1 Ų107.175%0.74857%0.568SS**PPolyproline II helixtrans-67.5122-172.2-135.7176.3172.800109.6G65E63-G65 PolarHBondContact O-N 3.22Å; E63-G65 VanDerWaalsContact O-N 3.14Å
64P75.8Confident71.3Confident40 Ų40100.7 Ų100.726%0.2653%0.533SS..PPolyproline II helixtrans-62.3122.6178.222.7-29.8000109.2D62 V151 R152D62-P64 WeakPolarHBondContact O-CD 3.43Å; P64-V151 HydrophobicContact CB-CB 4.18Å; P64-V151 HydrophobicContact CB-CG2 4.46Å; P64-V151 HydrophobicContact CG-CB 3.95Å; P64-V151 HydrophobicContact CG-CG2 3.88Å; P64-R152 HydrophobicContact CB-CB 4.25Å; P64-R152 WeakPolarHBondContact CB-O 3.37Å
65G86.9Confident74.3Confident31 Ų3190 Ų9032%0.3249%0.491SS..PPolyproline II helixtrans-59163.4178.500000112.6E63 R152E63-G65 PolarHBondContact O-N 3.22Å; E63-G65 VanDerWaalsContact O-N 3.14Å; G65-R152 WeakPolarHBondContact O-CG 3.45Å; G65-R152 PolarHBondContact O-N 2.88Å
66P94.1Very high76.8Confident24 Ų2488 Ų8816%0.15648%0.477CS..BIsolated β-bridgetrans-63.7149.9-173.524.9-33.7000113.2W73 Y124 W148P66-W73 HydrophobicContact CB-CE3 4.46Å; P66-W73 HydrophobicContact CB-CZ3 3.99Å; P66-W73 HydrophobicContact CG-CZ3 4.16Å; P66-Y124 HydrophobicContact CG-CE2 3.69Å; P66-W148 HydrophobicContact CB-CB 4.09Å; P66-W148 HydrophobicContact CB-CD2 3.42Å; P66-W148 VanDerWaalsContact CB-CD2 3.42Å; P66-W148 HydrophobicContact CB-CE3 3.88Å; P66-W148 HydrophobicContact CB-CG 3.52Å; P66-W148 HydrophobicContact CB-CZ2 4.34Å; P66-W148 HydrophobicContact CG-CD2 4.04Å; P66-W148 HydrophobicContact CG-CG 4.31Å; P66-W148 HydrophobicContact CG-CZ2 4.09Å
67Q94.5Very high79.5Confident88 Ų8882.3 Ų82.341%0.41144%0.441SS..  trans-111.2126.4179.3177.35757.400110.2F150 R152Q67-F150 HydrophobicContact CB-CB 4Å; Q67-F150 HydrophobicContact CG-CB 4.45Å; Q67-F150 PolarHBondContact N-O 3.45Å; Q67-R152 HydrophobicContact CB-CG 4.47Å
68R93.9Very high81.8Confident99 Ų9978.2 Ų78.237%0.37442%0.417SS..  trans-72139.6174-164.5-175.6176.9-85.84.8110.2V70 E71 G72 W73R68-V70 PolarHBondContact NH1-O 2.87Å; R68-E71 VanDerWaalsContact NH2-C 3.3Å; R68-E71 PolarHBondContact NH2-O 3.03Å; R68-G72 WeakPolarHBondContact CG-O 3.1Å; R68-W73 HydrophobicContact CB-CD2 4.06Å; R68-W73 HydrophobicContact CB-CE3 4.2Å; R68-W73 HydrophobicContact CB-CH2 3.96Å; R68-W73 HydrophobicContact CB-CZ2 3.79Å; R68-W73 HydrophobicContact CB-CZ3 4.15Å; R68-W73 HydrophobicContact CG-CD2 3.93Å; R68-W73 HydrophobicContact CG-CG 4.19Å; R68-W73 HydrophobicContact CG-CZ2 4.02Å
69S95.2Very high84.3Confident26 Ų2671 Ų7118%0.18239%0.389CS..  trans-78.1-178.3169.3-56.80000110.8E71 G72 I74S69-E71 VanDerWaalsContact C-N 3.34Å; S69-E71 PolarHBondContact O-N 3.15Å; S69-G72 WeakPolarHBondContact CA-O 3.26Å; S69-G72 WeakPolarHBondContact CB-O 3.38Å; S69-G72 PolarHBondContact N-O 2.82Å; S69-I74 WeakPolarHBondContact OG-CD1 3.07Å; S69-I74 VanDerWaalsContact OG-CG1 3.3Å; S69-I74 WeakPolarHBondContact OG-CG1 3.45Å
70V93.1Very high86.9Confident137 Ų13763.5 Ų63.583%0.8336%0.355SS*.SBendtrans-58.7-46.7-178.6-179.40000111.1R68R68-V70 PolarHBondContact NH1-O 2.87Å
71E90.6Very high89.6Confident152 Ų15258.1 Ų58.171%0.7133%0.325SS*.SBendtrans-110.9-17.1-172.1-60.7-169.5150.300113.9R68 S69R68-E71 VanDerWaalsContact NH2-C 3.3Å; R68-E71 PolarHBondContact NH2-O 3.03Å; S69-E71 VanDerWaalsContact C-N 3.34Å; S69-E71 PolarHBondContact O-N 3.15Å
72G94.5Very high91.6Very high0 Ų059.9 Ų59.90%031%0.313CS..SBendtrans-164.7-160.2179.700000115.3R68 S69 E120 Y121R68-G72 WeakPolarHBondContact CG-O 3.1Å; S69-G72 WeakPolarHBondContact CA-O 3.26Å; S69-G72 WeakPolarHBondContact CB-O 3.38Å; S69-G72 PolarHBondContact N-O 2.82Å; G72-E120 VanDerWaalsContact CA-OE1 3.29Å; G72-E120 WeakPolarHBondContact CA-OE1 3.23Å; G72-E120 PolarHBondContact N-OE1 3.47Å; G72-Y121 CarbonylContact C-O 3.46Å; G72-Y121 WeakPolarHBondContact CA-O 3.32Å
73W97.8Very high93.5Very high39 Ų3958.7 Ų58.715%0.14830%0.303CS..EExtended strand (participates in β ladder)trans-111.9121.8177.5-65.984.8000108.9P66 R68 E120 Y121 Y124 A127 W148P66-W73 HydrophobicContact CB-CE3 4.46Å; P66-W73 HydrophobicContact CB-CZ3 3.99Å; P66-W73 HydrophobicContact CG-CZ3 4.16Å; R68-W73 HydrophobicContact CB-CD2 4.06Å; R68-W73 HydrophobicContact CB-CE3 4.2Å; R68-W73 HydrophobicContact CB-CH2 3.96Å; R68-W73 HydrophobicContact CB-CZ2 3.79Å; R68-W73 HydrophobicContact CB-CZ3 4.15Å; R68-W73 HydrophobicContact CG-CD2 3.93Å; R68-W73 HydrophobicContact CG-CG 4.19Å; R68-W73 HydrophobicContact CG-CZ2 4.02Å; W73-E120 WeakPolarHBondContact O-CA 3.41Å; W73-Y121 PolarHBondContact N-O 3.44Å; W73-Y121 PolarHBondContact O-N 2.93Å; W73-Y124 AromaticContact CD2-CD2 4Å; W73-Y124 HydrophobicContact CD2-CD2 4Å; W73-Y124 AromaticContact CE3-CD2 3.78Å; W73-Y124 HydrophobicContact CE3-CD2 3.78Å; W73-Y124 AromaticContact CH2-CD2 3.68Å; W73-Y124 HydrophobicContact CH2-CD2 3.68Å; W73-Y124 HydrophobicContact CH2-CE2 4.42Å; W73-Y124 HydrophobicContact CH2-CG 4.43Å; W73-Y124 AromaticContact CZ2-CD2 3.91Å; W73-Y124 HydrophobicContact CZ2-CD2 3.91Å; W73-Y124 HydrophobicContact CZ2-CG 4.27Å; W73-Y124 AromaticContact CZ3-CD2 3.62Å; W73-Y124 HydrophobicContact CZ3-CD2 3.62Å; W73-Y124 HydrophobicContact CZ3-CE2 4.18Å; W73-A127 HydrophobicContact CB-CB 3.8Å; W73-W148 HydrophobicContact CB-CZ3 4.17Å; W73-W148 HydrophobicContact CE3-CE3 4.44Å; W73-W148 HydrophobicContact CE3-CH2 4.48Å; W73-W148 AromaticContact CE3-CZ3 3.96Å; W73-W148 HydrophobicContact CE3-CZ3 3.96Å
74I98.3Very high95.1Very high26 Ų2651.4 Ų51.413%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-105.5126.6-172.1-55.4-174.5000109.6S69 L118 V119 E120 A149 F150S69-I74 WeakPolarHBondContact OG-CD1 3.07Å; S69-I74 VanDerWaalsContact OG-CG1 3.3Å; S69-I74 WeakPolarHBondContact OG-CG1 3.45Å; I74-L118 HydrophobicContact CG2-CB 4Å; I74-L118 HydrophobicContact CG2-CD2 3.87Å; I74-L118 HydrophobicContact CG2-CG 4.45Å; I74-V119 WeakPolarHBondContact CA-O 3.25Å; I74-E120 HydrophobicContact CD1-CG 4.41Å; I74-E120 HydrophobicContact CG1-CB 3.96Å; I74-E120 HydrophobicContact CG1-CG 3.8Å; I74-A149 HydrophobicContact CB-CB 3.97Å; I74-A149 HydrophobicContact CG2-CB 3.67Å; I74-A149 VanDerWaalsContact O-CB 3.29Å; I74-A149 WeakPolarHBondContact O-CB 3.44Å; I74-A149 PolarHBondContact O-N 2.75Å; I74-F150 HydrophobicContact CB-CE2 4.39Å; I74-F150 HydrophobicContact CD1-CE2 4.14Å
75L98.6Very high96.1Very high0 Ų052.6 Ų52.60%028%0.277CS..EExtended strand (participates in β ladder)trans-95.6141.6169.3-60.3178.9000109.9F93 L118 V119 Y121 A127 A130 M131 V146 D147 W148L75-F93 HydrophobicContact CD1-CE1 4.38Å; L75-L118 WeakPolarHBondContact O-CA 3.43Å; L75-V119 PolarHBondContact N-O 3.43Å; L75-V119 PolarHBondContact O-N 2.89Å; L75-Y121 HydrophobicContact CD1-CD2 4.39Å; L75-Y121 HydrophobicContact CD1-CE2 4.02Å; L75-A127 HydrophobicContact CD1-CB 4.41Å; L75-A127 WeakPolarHBondContact CD1-O 3.2Å; L75-A127 HydrophobicContact CD2-CB 4.22Å; L75-A127 HydrophobicContact CG-CB 4.24Å; L75-A130 HydrophobicContact CD1-CB 3.87Å; L75-M131 HydrophobicContact CD1-CB 4.44Å; L75-M131 HydrophobicContact CD2-CB 4.17Å; L75-V146 HydrophobicContact CB-CG1 4.1Å; L75-V146 HydrophobicContact CD1-CG1 3.84Å; L75-V146 HydrophobicContact CD2-CG1 4.49Å; L75-V146 HydrophobicContact CG-CG1 4.37Å; L75-D147 CarbonylContact C-O 3.59Å; L75-D147 WeakPolarHBondContact CA-O 3.48Å; L75-W148 HydrophobicContact CD2-CD2 4.19Å; L75-W148 HydrophobicContact CD2-CE3 3.66Å; L75-W148 HydrophobicContact CD2-CZ3 3.84Å
76F98.8Very high96.6Very high77 Ų7756.7 Ų56.734%0.33829%0.288SS..EExtended strand (participates in β ladder)trans-103.3116.4170.4-176.3-121.2000108.8T78 Y116 L118 D147 A149F76-T78 HydrophobicContact CD1-CG2 3.64Å; F76-T78 HydrophobicContact CE1-CG2 3.13Å; F76-T78 HydrophobicContact CE2-CG2 4.44Å; F76-T78 HydrophobicContact CG-CG2 4.47Å; F76-T78 HydrophobicContact CZ-CG2 3.61Å; F76-Y116 HydrophobicContact CD2-CD2 4.45Å; F76-Y116 AromaticContact CE2-CD2 3.65Å; F76-Y116 HydrophobicContact CE2-CD2 3.65Å; F76-Y116 HydrophobicContact CE2-CE2 4.41Å; F76-Y116 AromaticContact CE2-CG 3.83Å; F76-Y116 HydrophobicContact CE2-CG 3.83Å; F76-Y116 HydrophobicContact CZ-CD2 4.47Å; F76-Y116 HydrophobicContact CZ-CG 4.24Å; F76-L118 HydrophobicContact CB-CD2 4.25Å; F76-L118 HydrophobicContact CD2-CD2 3.68Å; F76-L118 HydrophobicContact CG-CD2 4.45Å; F76-D147 PolarHBondContact N-O 2.86Å; F76-D147 PolarHBondContact O-N 3.05Å; F76-A149 HydrophobicContact CB-CB 3.98Å
77V98.7Very high96.8Very high0 Ų062.2 Ų62.20%031%0.311CS..EExtended strand (participates in β ladder)trans-105.9125.3-178-173.60000107.9V80 F93 Y116 A117 V119 I144 S145 V146V77-V80 HydrophobicContact CG1-CG2 3.92Å; V77-F93 HydrophobicContact CB-CZ 4.42Å; V77-F93 HydrophobicContact CG1-CZ 4.1Å; V77-F93 HydrophobicContact CG2-CE1 3.83Å; V77-F93 HydrophobicContact CG2-CE2 4.29Å; V77-F93 HydrophobicContact CG2-CZ 3.43Å; V77-F93 VanDerWaalsContact CG2-CZ 3.43Å; V77-Y116 CarbonylContact O-C 3.55Å; V77-Y116 WeakPolarHBondContact O-CA 3.16Å; V77-Y116 VanDerWaalsContact O-CB 3.25Å; V77-Y116 WeakPolarHBondContact O-CB 3.13Å; V77-A117 HydrophobicContact CB-CB 4.28Å; V77-A117 PolarHBondContact N-O 2.95Å; V77-A117 PolarHBondContact O-N 2.99Å; V77-V119 HydrophobicContact CG2-CG2 4.2Å; V77-I144 HydrophobicContact CG1-CB 4.25Å; V77-I144 HydrophobicContact CG1-CD1 4.35Å; V77-S145 CarbonylContact C-O 3.59Å; V77-S145 WeakPolarHBondContact CA-O 3.45Å; V77-V146 HydrophobicContact CG1-CG2 4.28Å; V77-V146 HydrophobicContact CG2-CG1 4.36Å; V77-V146 HydrophobicContact CG2-CG2 4.38Å
78T98.7Very high96.9Very high44 Ų4460.6 Ų60.627%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-120.9162.1177.2640000111.2F76 V80 I144 S145F76-T78 HydrophobicContact CD1-CG2 3.64Å; F76-T78 HydrophobicContact CE1-CG2 3.13Å; F76-T78 HydrophobicContact CE2-CG2 4.44Å; F76-T78 HydrophobicContact CG-CG2 4.47Å; F76-T78 HydrophobicContact CZ-CG2 3.61Å; T78-V80 VanDerWaalsContact C-N 3.32Å; T78-I144 VanDerWaalsContact O-CA 3.31Å; T78-I144 WeakPolarHBondContact O-CA 3.22Å; T78-S145 PolarHBondContact N-O 2.88Å; T78-S145 PolarHBondContact O-N 3.15Å
79G97.9Very high97.1Very high24 Ų2455.9 Ų55.925%0.24729%0.288CS..  trans75.823.6-176.400000112.6H81 G115 Q142G79-H81 PolarHBondContact O-N 3.43Å; G79-G115 PolarHBondContact N-O 3.44Å; G79-Q142 WeakPolarHBondContact O-CG 3.44Å; G79-Q142 PolarHBondContact O-NE2 2.79Å
80V98.2Very high97.2Very high2 Ų258.7 Ų58.71%0.01230%0.298CS..  trans-67.5132.6173.2-178.30000109.4V77 T78 A84 I89 L104 L113 G115 A117 L139V77-V80 HydrophobicContact CG1-CG2 3.92Å; T78-V80 VanDerWaalsContact C-N 3.32Å; V80-A84 HydrophobicContact CG1-CB 3.79Å; V80-I89 HydrophobicContact CG1-CD1 3.94Å; V80-I89 HydrophobicContact CG2-CD1 4.2Å; V80-L104 HydrophobicContact CG1-CD1 4.26Å; V80-L113 HydrophobicContact CG1-CD1 3.66Å; V80-G115 PolarHBondContact N-O 2.85Å; V80-G115 VanDerWaalsContact N-O 3.15Å; V80-G115 WeakPolarHBondContact O-CA 3.36Å; V80-A117 HydrophobicContact CG2-CB 4.4Å; V80-L139 HydrophobicContact CG1-CD2 4.38Å
81H98.3Very high97.4Very high43 Ų4356.4 Ų56.420%0.19928%0.281CS..  trans-59.2141.6178.2-174.7-90.2000111.1G79 E83 A84 L113 M140 Q142G79-H81 PolarHBondContact O-N 3.43Å; H81-E83 PolarHBondContact ND1-N 3.31Å; H81-E83 PolarHBondContact O-N 3.18Å; H81-E83 VanDerWaalsContact O-N 3.16Å; H81-A84 HydrophobicContact CB-CB 4.34Å; H81-A84 WeakPolarHBondContact O-CB 3.29Å; H81-A84 PolarHBondContact O-N 3.07Å; H81-L113 WeakPolarHBondContact O-CD1 3.31Å; H81-M140 HydrophobicContact CB-CB 3.99Å; H81-M140 HydrophobicContact CB-SD 4.24Å; H81-Q142 HydrophobicContact CB-CB 4.42Å
82E97.7Very high97.7Very high109 Ų10951.9 Ų51.951%0.50926%0.259SS..THydrogen-bonded Turntrans-66.2-22.5-169.872.1-176.2139.800114.6L113E82-L113 PolarHBondContact O-N 3.16Å
83E97.4Very high97.9Very high112 Ų11251.9 Ų51.952%0.52326%0.259SS..THydrogen-bonded Turntrans-102.45.8176.7-54-167.9152.500113.7H81 Y112H81-E83 PolarHBondContact ND1-N 3.31Å; H81-E83 PolarHBondContact O-N 3.18Å; H81-E83 VanDerWaalsContact O-N 3.16Å; E83-Y112 HydrophobicContact CG-CD1 4.15Å; E83-Y112 HydrophobicContact CG-CE1 3.97Å
84A97.9Very high97.9Very high6 Ų652.4 Ų52.45%0.0527%0.269CS..  trans-63.6154175.600000111.1V80 H81 L113 M140V80-A84 HydrophobicContact CG1-CB 3.79Å; H81-A84 HydrophobicContact CB-CB 4.34Å; H81-A84 WeakPolarHBondContact O-CB 3.29Å; H81-A84 PolarHBondContact O-N 3.07Å; A84-L113 HydrophobicContact CB-CD1 3.82Å; A84-L113 WeakPolarHBondContact O-CD1 3.31Å; A84-L113 WeakPolarHBondContact O-CG 3.31Å; A84-M140 VanDerWaalsContact CA-SD 3.51Å; A84-M140 HydrophobicContact CB-SD 3.62Å
85T97.9Very high97.9Very high65 Ų6558.8 Ų58.840%0.39930%0.298SS..  trans-111.5167.9178.468.40000111.1E87 D88 I89 L104T85-E87 PolarHBondContact O-N 3.47Å; T85-E87 PolarHBondContact OG1-N 3.24Å; T85-D88 WeakPolarHBondContact CB-OD2 3.17Å; T85-D88 PolarHBondContact N-OD2 2.88Å; T85-D88 PolarHBondContact O-N 2.87Å; T85-D88 PolarHBondContact OG1-N 3.42Å; T85-D88 PolarHBondContact OG1-OD2 3.24Å; T85-I89 PolarHBondContact O-N 2.95Å; T85-L104 VanDerWaalsContact C-CD2 3.42Å
86E96.5Very high97.8Very high118 Ų11861.3 Ų61.355%0.55131%0.309SS*.Hα-helixtrans-61.4-32.8172.6177.9165.4-17300111.7I89 H90 L102 L104E86-I89 PolarHBondContact O-N 2.59Å; E86-H90 VanDerWaalsContact O-CB 3.22Å; E86-H90 WeakPolarHBondContact O-CB 3.34Å; E86-H90 PolarHBondContact O-N 2.59Å; E86-L102 HydrophobicContact CB-CD2 4.37Å; E86-L102 HydrophobicContact CG-CD1 4.1Å; E86-L102 HydrophobicContact CG-CD2 3.68Å; E86-L102 HydrophobicContact CG-CG 4.43Å; E86-L104 HydrophobicContact CB-CD2 4.23Å
87E97.7Very high97.7Very high139 Ų13958.4 Ų58.465%0.6530%0.301SS*.Hα-helixtrans-63.3-45.2174.9-171.5173.8-179.300111.3T85 I89 H90 D91T85-E87 PolarHBondContact O-N 3.47Å; T85-E87 PolarHBondContact OG1-N 3.24Å; E87-I89 VanDerWaalsContact C-N 3.29Å; E87-I89 PolarHBondContact O-N 3.17Å; E87-H90 PolarHBondContact O-N 3.48Å; E87-D91 WeakPolarHBondContact O-CB 3.08Å; E87-D91 PolarHBondContact O-N 3.19Å
88D97.7Very high97.6Very high54 Ų5464.3 Ų64.329%0.28933%0.328SS..Hα-helixtrans-60.6-38.7178.5-60.4-64.8000112.5T85 K92 L139T85-D88 WeakPolarHBondContact CB-OD2 3.17Å; T85-D88 PolarHBondContact N-OD2 2.88Å; T85-D88 PolarHBondContact O-N 2.87Å; T85-D88 PolarHBondContact OG1-N 3.42Å; T85-D88 PolarHBondContact OG1-OD2 3.24Å; D88-K92 WeakPolarHBondContact O-CB 3.38Å; D88-K92 PolarHBondContact O-N 3.19Å; D88-L139 HydrophobicContact CB-CD1 4.45Å
89I97.9Very high97.6Very high0 Ų063.5 Ų63.50%032%0.322CS..Hα-helixtrans-72.2-46.7175.9-57.9-65.3000109.8V80 T85 E86 E87 D91 K92 F93 L102 L104 V119 L139V80-I89 HydrophobicContact CG1-CD1 3.94Å; V80-I89 HydrophobicContact CG2-CD1 4.2Å; T85-I89 PolarHBondContact O-N 2.95Å; E86-I89 PolarHBondContact O-N 2.59Å; E87-I89 VanDerWaalsContact C-N 3.29Å; E87-I89 PolarHBondContact O-N 3.17Å; I89-D91 PolarHBondContact O-N 2.68Å; I89-K92 PolarHBondContact O-N 2.69Å; I89-F93 HydrophobicContact CG2-CD2 3.84Å; I89-F93 HydrophobicContact CG2-CE2 4.18Å; I89-F93 WeakPolarHBondContact O-CB 3.4Å; I89-F93 VanDerWaalsContact O-CD2 3.26Å; I89-F93 WeakPolarHBondContact O-CD2 3.34Å; I89-F93 PolarHBondContact O-N 2.84Å; I89-L102 HydrophobicContact CB-CD1 4Å; I89-L102 HydrophobicContact CG2-CD1 3.66Å; I89-L102 HydrophobicContact CG2-CG 4.33Å; I89-L104 HydrophobicContact CG1-CD1 4.22Å; I89-L104 HydrophobicContact CG1-CD2 4.36Å; I89-V119 HydrophobicContact CG2-CG2 4.02Å; I89-L139 HydrophobicContact CD1-CD2 3.49Å; I89-L139 VanDerWaalsContact CD1-CD2 3.49Å
90H98Very high97.6Very high85 Ų8566.5 Ų66.539%0.39433%0.328SS..Hα-helixtrans-59-49.3-179.4-179.7-79.7000111.4E86 E87 K92 F93 S94 I99 L102E86-H90 VanDerWaalsContact O-CB 3.22Å; E86-H90 WeakPolarHBondContact O-CB 3.34Å; E86-H90 PolarHBondContact O-N 2.59Å; E87-H90 PolarHBondContact O-N 3.48Å; H90-K92 VanDerWaalsContact C-N 3.28Å; H90-K92 PolarHBondContact O-N 2.77Å; H90-F93 PolarHBondContact O-N 2.81Å; H90-S94 WeakPolarHBondContact O-CB 3.49Å; H90-S94 PolarHBondContact O-N 2.92Å; H90-S94 PolarHBondContact O-OG 2.93Å; H90-S94 VanDerWaalsContact O-OG 3.12Å; H90-I99 HydrophobicContact CB-CD1 4.44Å; H90-L102 HydrophobicContact CB-CD1 4.41Å
91D97.1Very high97.6Very high90 Ų9069.7 Ų69.748%0.48135%0.345SS..Hα-helixtrans-56.6-45.1179.7-77.4-4.8000111.3E87 I89 S94E87-D91 WeakPolarHBondContact O-CB 3.08Å; E87-D91 PolarHBondContact O-N 3.19Å; I89-D91 PolarHBondContact O-N 2.68Å; D91-S94 PolarHBondContact O-OG 2.85Å; D91-S94 VanDerWaalsContact O-OG 3.14Å
92K96.8Very high97.6Very high56 Ų5668.4 Ų68.424%0.24334%0.34CS..Hα-helixtrans-71.6-35.6-177.8-162.2155.2-167136.10113.7D88 I89 H90 L134 D138 L139D88-K92 WeakPolarHBondContact O-CB 3.38Å; D88-K92 PolarHBondContact O-N 3.19Å; I89-K92 PolarHBondContact O-N 2.69Å; H90-K92 VanDerWaalsContact C-N 3.28Å; H90-K92 PolarHBondContact O-N 2.77Å; K92-L134 HydrophobicContact CD-CD2 4.35Å; K92-L134 HydrophobicContact CG-CD1 4.26Å; K92-L134 HydrophobicContact CG-CD2 3.76Å; K92-D138 PolarHBondContact NZ-O 2.82Å; K92-L139 HydrophobicContact CD-CD1 3.79Å
93F98.3Very high97.6Very high1 Ų167.5 Ų67.50%0.00434%0.335CS..Hα-helixtrans-89.7-24.2-176.7-81.2-101.5000112.7L75 V77 I89 H90 E95 F96 I99 V119 Y121 A130 L134 I144 V146L75-F93 HydrophobicContact CD1-CE1 4.38Å; V77-F93 HydrophobicContact CB-CZ 4.42Å; V77-F93 HydrophobicContact CG1-CZ 4.1Å; V77-F93 HydrophobicContact CG2-CE1 3.83Å; V77-F93 HydrophobicContact CG2-CE2 4.29Å; V77-F93 HydrophobicContact CG2-CZ 3.43Å; V77-F93 VanDerWaalsContact CG2-CZ 3.43Å; I89-F93 HydrophobicContact CG2-CD2 3.84Å; I89-F93 HydrophobicContact CG2-CE2 4.18Å; I89-F93 WeakPolarHBondContact O-CB 3.4Å; I89-F93 VanDerWaalsContact O-CD2 3.26Å; I89-F93 WeakPolarHBondContact O-CD2 3.34Å; I89-F93 PolarHBondContact O-N 2.84Å; H90-F93 PolarHBondContact O-N 2.81Å; F93-E95 PolarHBondContact O-N 3.04Å; F93-E95 VanDerWaalsContact O-N 3.17Å; F93-F96 PolarHBondContact O-N 3.01Å; F93-I99 HydrophobicContact CB-CD1 3.73Å; F93-I99 HydrophobicContact CB-CG1 4.45Å; F93-V119 HydrophobicContact CB-CG1 4.31Å; F93-V119 HydrophobicContact CD1-CB 4.23Å; F93-V119 HydrophobicContact CD1-CG1 3.96Å; F93-V119 HydrophobicContact CD1-CG2 4.06Å; F93-V119 HydrophobicContact CE1-CG2 4.23Å; F93-V119 HydrophobicContact CG-CG1 4.34Å; F93-V119 HydrophobicContact CG-CG2 4.28Å; F93-Y121 WeakPolarHBondContact CB-OH 2.97Å; F93-Y121 HydrophobicContact CD1-CE2 4.41Å; F93-Y121 PolarHBondContact O-OH 3.31Å; F93-A130 HydrophobicContact CD1-CB 4.37Å; F93-L134 HydrophobicContact CD1-CD1 3.7Å; F93-L134 HydrophobicContact CD2-CD1 3.72Å; F93-L134 HydrophobicContact CE1-CD1 3.66Å; F93-L134 HydrophobicContact CE2-CD1 3.69Å; F93-L134 HydrophobicContact CG-CD1 3.73Å; F93-L134 HydrophobicContact CZ-CD1 3.64Å; F93-I144 HydrophobicContact CE2-CD1 4.31Å; F93-I144 HydrophobicContact CZ-CD1 4.44Å; F93-V146 HydrophobicContact CE1-CG1 4.35Å; F93-V146 HydrophobicContact CE1-CG2 4.5Å; F93-V146 HydrophobicContact CZ-CG2 4.04Å
94S97.8Very high97.7Very high50 Ų5063.6 Ų63.635%0.3532%0.318SS..Hα-helixtrans-65.3-19.5-178.167.30000114H90 D91 F96 G97H90-S94 WeakPolarHBondContact O-CB 3.49Å; H90-S94 PolarHBondContact O-N 2.92Å; H90-S94 PolarHBondContact O-OG 2.93Å; H90-S94 VanDerWaalsContact O-OG 3.12Å; D91-S94 PolarHBondContact O-OG 2.85Å; D91-S94 VanDerWaalsContact O-OG 3.14Å; S94-F96 PolarHBondContact O-N 2.87Å; S94-G97 PolarHBondContact O-N 2.79Å
95E97.2Very high97.7Very high159 Ų15966.5 Ų66.574%0.74333%0.333SS*.THydrogen-bonded Turntrans-62.5-22.7176.5-62.8-172.1169.500113.5F93F93-E95 PolarHBondContact O-N 3.04Å; F93-E95 VanDerWaalsContact O-N 3.17Å
96F98.1Very high97.7Very high54 Ų5468.1 Ų68.124%0.23734%0.338CS..THydrogen-bonded Turntrans-101-13.1-172.6-59.2-85.3000114F93 S94 E126 A129 A130 L134F93-F96 PolarHBondContact O-N 3.01Å; S94-F96 PolarHBondContact O-N 2.87Å; F96-E126 WeakPolarHBondContact O-CB 3.48Å; F96-E126 WeakPolarHBondContact O-CG 3.46Å; F96-A129 HydrophobicContact CD1-CB 4.07Å; F96-A129 WeakPolarHBondContact CD1-O 3.29Å; F96-A129 WeakPolarHBondContact CE1-O 3.29Å; F96-A130 HydrophobicContact CB-CB 3.72Å; F96-A130 HydrophobicContact CD1-CB 4.38Å; F96-A130 HydrophobicContact CD2-CB 3.98Å; F96-A130 VanDerWaalsContact CG-CA 3.49Å; F96-A130 HydrophobicContact CG-CB 3.76Å; F96-L134 HydrophobicContact CD2-CD1 4.05Å; F96-L134 HydrophobicContact CD2-CG 4.36Å; F96-L134 HydrophobicContact CE2-CD1 3.62Å; F96-L134 HydrophobicContact CE2-CD2 3.78Å; F96-L134 HydrophobicContact CE2-CG 3.52Å; F96-L134 HydrophobicContact CZ-CD1 4.46Å; F96-L134 HydrophobicContact CZ-CD2 4.07Å; F96-L134 HydrophobicContact CZ-CG 3.89Å
97G96.5Very high97.7Very high16 Ų1664 Ų6417%0.16532%0.32CS..SBendtrans162.6175.9-177.700000113S94 I99S94-G97 PolarHBondContact O-N 2.79Å; G97-I99 PolarHBondContact O-N 2.79Å
98E97.2Very high97.7Very high123 Ų12369 Ų6958%0.57533%0.333SS*.  trans-74.5120.1175.1-169.8-169.714300110.4K100 Y121E98-K100 PolarHBondContact O-N 3.41Å; E98-K100 IonicContact OE1-NZ 2.81Å; E98-K100 PolarHBondContact OE1-NZ 3.35Å; E98-K100 IonicContact OE2-NZ 3.28Å; E98-K100 PolarHBondContact OE2-NZ 3.01Å; E98-Y121 WeakPolarHBondContact O-CD1 3.32Å
99I98.1Very high97.7Very high28 Ų2876.8 Ų76.814%0.14436%0.358CS..EExtended strand (participates in β ladder)trans-76.1115.9176.1-60.3171.3000108.3H90 F93 G97 N101 L102 V119 Y121H90-I99 HydrophobicContact CB-CD1 4.44Å; F93-I99 HydrophobicContact CB-CD1 3.73Å; F93-I99 HydrophobicContact CB-CG1 4.45Å; G97-I99 PolarHBondContact O-N 2.79Å; I99-N101 WeakPolarHBondContact CG2-O 3.3Å; I99-L102 HydrophobicContact CG2-CB 4.22Å; I99-V119 HydrophobicContact CD1-CG1 4.46Å; I99-V119 HydrophobicContact CG1-CG1 4.23Å; I99-V119 HydrophobicContact CG2-CG1 4.1Å; I99-Y121 HydrophobicContact CG1-CE1 4.09Å
100K98.1Very high97.7Very high87 Ų8780.1 Ų80.138%0.37838%0.379SS..EExtended strand (participates in β ladder)trans-81.6-35.9177.7-64.2-58.4-178.1-175.30112.3E98 E120 E122E98-K100 PolarHBondContact O-N 3.41Å; E98-K100 IonicContact OE1-NZ 2.81Å; E98-K100 PolarHBondContact OE1-NZ 3.35Å; E98-K100 IonicContact OE2-NZ 3.28Å; E98-K100 PolarHBondContact OE2-NZ 3.01Å; K100-E120 HydrophobicContact CB-CG 4.39Å; K100-E120 PolarHBondContact N-O 2.95Å; K100-E122 WeakPolarHBondContact CE-OE2 3.36Å; K100-E122 HydrophobicContact CG-CB 4.25Å; K100-E122 IonicContact NZ-OE2 2.96Å; K100-E122 PolarHBondContact NZ-OE2 2.99Å
101N97.8Very high97.6Very high69 Ų6978.4 Ų78.437%0.36938%0.384SS..EExtended strand (participates in β ladder)trans-153.1149178.7-157.1-6.3000111.1I99 H103 E120I99-N101 WeakPolarHBondContact CG2-O 3.3Å; N101-H103 PolarHBondContact ND2-NE2 3.47Å; N101-E120 HydrophobicContact CB-CB 3.94Å; N101-E120 PolarHBondContact O-N 3.22Å
102L98.1Very high97.6Very high16 Ų1679.3 Ų79.38%0.08438%0.381CS..EExtended strand (participates in β ladder)trans-141.5121.3-179.8-172.6159.3000109.3E86 I89 H90 I99 L104 L118E86-L102 HydrophobicContact CB-CD2 4.37Å; E86-L102 HydrophobicContact CG-CD1 4.1Å; E86-L102 HydrophobicContact CG-CD2 3.68Å; E86-L102 HydrophobicContact CG-CG 4.43Å; I89-L102 HydrophobicContact CB-CD1 4Å; I89-L102 HydrophobicContact CG2-CD1 3.66Å; I89-L102 HydrophobicContact CG2-CG 4.33Å; H90-L102 HydrophobicContact CB-CD1 4.41Å; I99-L102 HydrophobicContact CG2-CB 4.22Å; L102-L104 HydrophobicContact CD2-CB 3.8Å; L102-L118 CarbonylContact C-O 3.52Å; L102-L118 WeakPolarHBondContact CA-O 3.35Å
103H98.4Very high97.7Very high89 Ų8977.5 Ų77.541%0.41237%0.374SS..EExtended strand (participates in β ladder)trans-114.4112.1173.7-61.8156.9000110.7N101 A117 L118N101-H103 PolarHBondContact ND2-NE2 3.47Å; H103-A117 CarbonylContact O-C 3.55Å; H103-A117 WeakPolarHBondContact O-CA 3.44Å; H103-L118 HydrophobicContact CB-CB 4.19Å; H103-L118 PolarHBondContact N-O 3Å; H103-L118 PolarHBondContact O-N 3.29Å
104L98.1Very high97.7Very high30 Ų3082.8 Ų82.816%0.15740%0.397CS..EExtended strand (participates in β ladder)trans-115.288.2178.4-168.462.2000109.8V80 T85 E86 I89 L102 L113 A117V80-L104 HydrophobicContact CG1-CD1 4.26Å; T85-L104 VanDerWaalsContact C-CD2 3.42Å; E86-L104 HydrophobicContact CB-CD2 4.23Å; I89-L104 HydrophobicContact CG1-CD1 4.22Å; I89-L104 HydrophobicContact CG1-CD2 4.36Å; L102-L104 HydrophobicContact CD2-CB 3.8Å; L104-L113 HydrophobicContact CD1-CD1 3.64Å; L104-L113 HydrophobicContact CD1-CD2 4.24Å; L104-L113 HydrophobicContact CD2-CD1 3.91Å; L104-L113 HydrophobicContact CD2-CD2 3.94Å; L104-L113 HydrophobicContact CG-CD1 3.85Å; L104-L113 HydrophobicContact CG-CD2 3.62Å; L104-L113 HydrophobicContact CG-CG 4.37Å; L104-A117 HydrophobicContact CD1-CB 3.79Å
105N98.1Very high97.7Very high68 Ų6881.4 Ų81.436%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-80.4142-168.6-72.2-21.7000112.6K114 Y116N105-K114 VanDerWaalsContact O-CB 3.28Å; N105-K114 WeakPolarHBondContact O-CB 3.49Å; N105-K114 PolarHBondContact O-N 3.45Å; N105-Y116 HydrophobicContact CB-CE2 4.25Å; N105-Y116 PolarHBondContact ND2-OH 2.68Å
106L97.9Very high97.7Very high99 Ų9977.2 Ų77.252%0.51837%0.369SS..EExtended strand (participates in β ladder)trans-89.3147.4177.6-54.9-177.5000112.5R108 Y112 L113L106-R108 PolarHBondContact O-N 3.32Å; L106-Y112 CarbonylContact C-O 3.52Å; L106-Y112 WeakPolarHBondContact CA-O 3.34Å; L106-L113 HydrophobicContact CD2-CD2 3.48Å; L106-L113 VanDerWaalsContact CD2-CD2 3.48Å
107D97.8Very high97.8Very high31 Ų3174.7 Ų74.717%0.16636%0.358CS..PPolyproline II helixtrans-67118.7160.8-171-68.1000109.7R109 T110 G111 Y112 K114D107-R109 PolarHBondContact O-N 2.91Å; D107-R109 WeakPolarHBondContact OD1-CB 3.4Å; D107-R109 PolarHBondContact OD1-N 3.26Å; D107-T110 WeakPolarHBondContact CB-OG1 3.33Å; D107-T110 PolarHBondContact O-N 3.33Å; D107-T110 PolarHBondContact OD1-N 3.43Å; D107-G111 PolarHBondContact O-N 3.45Å; D107-Y112 PolarHBondContact N-O 3.04Å; D107-K114 HydrophobicContact CB-CD 4.08Å; D107-K114 IonicContact OD2-NZ 2.75Å; D107-K114 PolarHBondContact OD2-NZ 2.86Å
108R97.4Very high97.9Very high243 Ų24375.9 Ų75.992%0.91736%0.36SS*.THydrogen-bonded Turntrans-63.2-15.9-173.5-61-62.6-64-151.7-2.9114.3L106L106-R108 PolarHBondContact O-N 3.32Å
109R97.2Very high97.9Very high219 Ų21970 Ų7083%0.82633%0.333SS*.THydrogen-bonded Turntrans-98.9-45-179.5-178.1177.261.9118.62.8112.1D107D107-R109 PolarHBondContact O-N 2.91Å; D107-R109 WeakPolarHBondContact OD1-CB 3.4Å; D107-R109 PolarHBondContact OD1-N 3.26Å
110T97.1Very high98Very high70 Ų7069.7 Ų69.743%0.42933%0.331SS..THydrogen-bonded Turntrans-91.3-25.6-173.9650000112.8D107 Y112D107-T110 WeakPolarHBondContact CB-OG1 3.33Å; D107-T110 PolarHBondContact O-N 3.33Å; D107-T110 PolarHBondContact OD1-N 3.43Å; T110-Y112 PolarHBondContact O-N 3.39Å; T110-Y112 PolarHBondContact OG1-N 2.88Å
111G96.4Very high98Very high48 Ų4865.5 Ų65.550%0.49531%0.313SS..SBendtrans83-10.4-174.300000114.3D107D107-G111 PolarHBondContact O-N 3.45Å
112Y97.6Very high97.9Very high109 Ų10967 Ų6743%0.42732%0.317SS..SBendtrans-75.2172171.2-68.7-72.5000111.7E83 L106 D107 T110E83-Y112 HydrophobicContact CG-CD1 4.15Å; E83-Y112 HydrophobicContact CG-CE1 3.97Å; L106-Y112 CarbonylContact C-O 3.52Å; L106-Y112 WeakPolarHBondContact CA-O 3.34Å; D107-Y112 PolarHBondContact N-O 3.04Å; T110-Y112 PolarHBondContact O-N 3.39Å; T110-Y112 PolarHBondContact OG1-N 2.88Å
113L98.1Very high97.9Very high19 Ų1968.8 Ų68.810%0.09933%0.329CS..EExtended strand (participates in β ladder)trans-62.2149.1176.4-61.4-168.5000112.2V80 H81 E82 A84 L104 L106 G115V80-L113 HydrophobicContact CG1-CD1 3.66Å; H81-L113 WeakPolarHBondContact O-CD1 3.31Å; E82-L113 PolarHBondContact O-N 3.16Å; A84-L113 HydrophobicContact CB-CD1 3.82Å; A84-L113 WeakPolarHBondContact O-CD1 3.31Å; A84-L113 WeakPolarHBondContact O-CG 3.31Å; L104-L113 HydrophobicContact CD1-CD1 3.64Å; L104-L113 HydrophobicContact CD1-CD2 4.24Å; L104-L113 HydrophobicContact CD2-CD1 3.91Å; L104-L113 HydrophobicContact CD2-CD2 3.94Å; L104-L113 HydrophobicContact CG-CD1 3.85Å; L104-L113 HydrophobicContact CG-CD2 3.62Å; L104-L113 HydrophobicContact CG-CG 4.37Å; L106-L113 HydrophobicContact CD2-CD2 3.48Å; L106-L113 VanDerWaalsContact CD2-CD2 3.48Å; L113-G115 PolarHBondContact O-N 3.46Å
114K98.2Very high97.8Very high111 Ų11168.6 Ų68.648%0.48333%0.325SS..EExtended strand (participates in β ladder)trans-73.3-12.5176.2-165.249.1169171.60113.2N105 D107 Y116N105-K114 VanDerWaalsContact O-CB 3.28Å; N105-K114 WeakPolarHBondContact O-CB 3.49Å; N105-K114 PolarHBondContact O-N 3.45Å; D107-K114 HydrophobicContact CB-CD 4.08Å; D107-K114 IonicContact OD2-NZ 2.75Å; D107-K114 PolarHBondContact OD2-NZ 2.86Å; K114-Y116 HydrophobicContact CB-CD1 4.07Å; K114-Y116 HydrophobicContact CB-CE1 3.84Å; K114-Y116 HydrophobicContact CG-CD1 3.88Å; K114-Y116 HydrophobicContact CG-CE1 3.44Å; K114-Y116 VanDerWaalsContact CG-CE1 3.44Å
115G97.7Very high97.8Very high22 Ų2275.1 Ų75.123%0.22735%0.352CS..EExtended strand (participates in β ladder)trans93.811.6-179.500000114.8G79 V80 L113G79-G115 PolarHBondContact N-O 3.44Å; V80-G115 PolarHBondContact N-O 2.85Å; V80-G115 VanDerWaalsContact N-O 3.15Å; V80-G115 WeakPolarHBondContact O-CA 3.36Å; L113-G115 PolarHBondContact O-N 3.46Å
116Y98.6Very high97.8Very high71 Ų7174.1 Ų74.128%0.27835%0.346SS..EExtended strand (participates in β ladder)trans-140.815817472.2-98000112.1F76 V77 N105 K114F76-Y116 HydrophobicContact CD2-CD2 4.45Å; F76-Y116 AromaticContact CE2-CD2 3.65Å; F76-Y116 HydrophobicContact CE2-CD2 3.65Å; F76-Y116 HydrophobicContact CE2-CE2 4.41Å; F76-Y116 AromaticContact CE2-CG 3.83Å; F76-Y116 HydrophobicContact CE2-CG 3.83Å; F76-Y116 HydrophobicContact CZ-CD2 4.47Å; F76-Y116 HydrophobicContact CZ-CG 4.24Å; V77-Y116 CarbonylContact O-C 3.55Å; V77-Y116 WeakPolarHBondContact O-CA 3.16Å; V77-Y116 VanDerWaalsContact O-CB 3.25Å; V77-Y116 WeakPolarHBondContact O-CB 3.13Å; N105-Y116 HydrophobicContact CB-CE2 4.25Å; N105-Y116 PolarHBondContact ND2-OH 2.68Å; K114-Y116 HydrophobicContact CB-CD1 4.07Å; K114-Y116 HydrophobicContact CB-CE1 3.84Å; K114-Y116 HydrophobicContact CG-CD1 3.88Å; K114-Y116 HydrophobicContact CG-CE1 3.44Å; K114-Y116 VanDerWaalsContact CG-CE1 3.44Å
117A98.6Very high97.8Very high0 Ų069.4 Ų69.40%032%0.321CS..EExtended strand (participates in β ladder)trans-136.7156.5172.600000111.5V77 V80 H103 L104V77-A117 HydrophobicContact CB-CB 4.28Å; V77-A117 PolarHBondContact N-O 2.95Å; V77-A117 PolarHBondContact O-N 2.99Å; V80-A117 HydrophobicContact CG2-CB 4.4Å; H103-A117 CarbonylContact O-C 3.55Å; H103-A117 WeakPolarHBondContact O-CA 3.44Å; L104-A117 HydrophobicContact CD1-CB 3.79Å
118L98.8Very high97.8Very high42 Ų4270.8 Ų70.822%0.2233%0.326CS..EExtended strand (participates in β ladder)trans-112.8129165.5-63.9167.7000108.7I74 L75 F76 L102 H103 A149I74-L118 HydrophobicContact CG2-CB 4Å; I74-L118 HydrophobicContact CG2-CD2 3.87Å; I74-L118 HydrophobicContact CG2-CG 4.45Å; L75-L118 WeakPolarHBondContact O-CA 3.43Å; F76-L118 HydrophobicContact CB-CD2 4.25Å; F76-L118 HydrophobicContact CD2-CD2 3.68Å; F76-L118 HydrophobicContact CG-CD2 4.45Å; L102-L118 CarbonylContact C-O 3.52Å; L102-L118 WeakPolarHBondContact CA-O 3.35Å; H103-L118 HydrophobicContact CB-CB 4.19Å; H103-L118 PolarHBondContact N-O 3Å; H103-L118 PolarHBondContact O-N 3.29Å; L118-A149 HydrophobicContact CD2-CB 3.98Å
119V98.7Very high97.8Very high0 Ų061 Ų610%030%0.297CS..EExtended strand (participates in β ladder)trans-122.1124.5178.3-177.50000108.5I74 L75 V77 I89 F93 I99 Y121I74-V119 WeakPolarHBondContact CA-O 3.25Å; L75-V119 PolarHBondContact N-O 3.43Å; L75-V119 PolarHBondContact O-N 2.89Å; V77-V119 HydrophobicContact CG2-CG2 4.2Å; I89-V119 HydrophobicContact CG2-CG2 4.02Å; F93-V119 HydrophobicContact CB-CG1 4.31Å; F93-V119 HydrophobicContact CD1-CB 4.23Å; F93-V119 HydrophobicContact CD1-CG1 3.96Å; F93-V119 HydrophobicContact CD1-CG2 4.06Å; F93-V119 HydrophobicContact CE1-CG2 4.23Å; F93-V119 HydrophobicContact CG-CG1 4.34Å; F93-V119 HydrophobicContact CG-CG2 4.28Å; I99-V119 HydrophobicContact CD1-CG1 4.46Å; I99-V119 HydrophobicContact CG1-CG1 4.23Å; I99-V119 HydrophobicContact CG2-CG1 4.1Å; V119-Y121 HydrophobicContact CG1-CD2 4.37Å; V119-Y121 HydrophobicContact CG1-CE2 3.81Å
120E98.6Very high97.9Very high20 Ų2050.5 Ų50.59%0.09326%0.258CS..EExtended strand (participates in β ladder)trans-108.1126.9-179.7-173.5165.7-155.300111.4G72 W73 I74 K100 N101G72-E120 VanDerWaalsContact CA-OE1 3.29Å; G72-E120 WeakPolarHBondContact CA-OE1 3.23Å; G72-E120 PolarHBondContact N-OE1 3.47Å; W73-E120 WeakPolarHBondContact O-CA 3.41Å; I74-E120 HydrophobicContact CD1-CG 4.41Å; I74-E120 HydrophobicContact CG1-CB 3.96Å; I74-E120 HydrophobicContact CG1-CG 3.8Å; K100-E120 HydrophobicContact CB-CG 4.39Å; K100-E120 PolarHBondContact N-O 2.95Å; N101-E120 HydrophobicContact CB-CB 3.94Å; N101-E120 PolarHBondContact O-N 3.22Å
121Y98.7Very high97.9Very high0 Ų048.8 Ų48.80%025%0.245CC..EExtended strand (participates in β ladder)trans-109.5157.9169.6-67.8-83.4000111.3G72 W73 L75 F93 E98 I99 V119 E126 A127 A130G72-Y121 CarbonylContact C-O 3.46Å; G72-Y121 WeakPolarHBondContact CA-O 3.32Å; W73-Y121 PolarHBondContact N-O 3.44Å; W73-Y121 PolarHBondContact O-N 2.93Å; L75-Y121 HydrophobicContact CD1-CD2 4.39Å; L75-Y121 HydrophobicContact CD1-CE2 4.02Å; F93-Y121 WeakPolarHBondContact CB-OH 2.97Å; F93-Y121 HydrophobicContact CD1-CE2 4.41Å; F93-Y121 PolarHBondContact O-OH 3.31Å; E98-Y121 WeakPolarHBondContact O-CD1 3.32Å; I99-Y121 HydrophobicContact CG1-CE1 4.09Å; V119-Y121 HydrophobicContact CG1-CD2 4.37Å; V119-Y121 HydrophobicContact CG1-CE2 3.81Å; Y121-E126 HydrophobicContact CD1-CB 3.82Å; Y121-E126 HydrophobicContact CE1-CB 4.48Å; Y121-E126 HydrophobicContact CG-CB 3.98Å; Y121-A127 HydrophobicContact CD2-CB 3.88Å; Y121-A127 HydrophobicContact CG-CB 4.42Å; Y121-A130 HydrophobicContact CE2-CB 3.77Å
122E96.6Very high98Very high99 Ų9952.9 Ų52.946%0.46325%0.251SS..SBendtrans-68.5-43.7176.1-168.6170.7160.900111.8K100K100-E122 WeakPolarHBondContact CE-OE2 3.36Å; K100-E122 HydrophobicContact CG-CB 4.25Å; K100-E122 IonicContact NZ-OE2 2.96Å; K100-E122 PolarHBondContact NZ-OE2 2.99Å
123T96.8Very high98Very high54 Ų5449 Ų4933%0.33124%0.244SC..SBendtrans-112.4151.4-171.877.20000113.5K125 E126 A127T123-K125 PolarHBondContact O-N 3.28Å; T123-E126 WeakPolarHBondContact CB-OE2 3.47Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.48Å; T123-E126 PolarHBondContact N-OE2 3.08Å; T123-E126 PolarHBondContact O-N 2.62Å; T123-E126 WeakPolarHBondContact OG1-CG 3.46Å; T123-E126 PolarHBondContact OG1-N 3.22Å; T123-E126 PolarHBondContact OG1-OE2 3.25Å; T123-A127 PolarHBondContact O-N 3.38Å
124Y96.8Very high98Very high85 Ų8548.5 Ų48.533%0.33324%0.242SC..Hα-helixtrans-58.2-39174.8175.9-99.3000111.8P66 W73 A127 Q128 W148P66-Y124 HydrophobicContact CG-CE2 3.69Å; W73-Y124 AromaticContact CD2-CD2 4Å; W73-Y124 HydrophobicContact CD2-CD2 4Å; W73-Y124 AromaticContact CE3-CD2 3.78Å; W73-Y124 HydrophobicContact CE3-CD2 3.78Å; W73-Y124 AromaticContact CH2-CD2 3.68Å; W73-Y124 HydrophobicContact CH2-CD2 3.68Å; W73-Y124 HydrophobicContact CH2-CE2 4.42Å; W73-Y124 HydrophobicContact CH2-CG 4.43Å; W73-Y124 AromaticContact CZ2-CD2 3.91Å; W73-Y124 HydrophobicContact CZ2-CD2 3.91Å; W73-Y124 HydrophobicContact CZ2-CG 4.27Å; W73-Y124 AromaticContact CZ3-CD2 3.62Å; W73-Y124 HydrophobicContact CZ3-CD2 3.62Å; W73-Y124 HydrophobicContact CZ3-CE2 4.18Å; Y124-A127 PolarHBondContact O-N 2.94Å; Y124-Q128 HydrophobicContact CE1-CB 4.15Å; Y124-Q128 HydrophobicContact CE1-CG 4.38Å; Y124-Q128 VanDerWaalsContact O-CB 3.29Å; Y124-Q128 WeakPolarHBondContact O-CB 3.19Å; Y124-Q128 PolarHBondContact O-N 3.14Å; Y124-Q128 PolarHBondContact OH-OE1 2.84Å; Y124-W148 AromaticContact CD2-CH2 3.74Å; Y124-W148 HydrophobicContact CD2-CH2 3.74Å; Y124-W148 HydrophobicContact CD2-CZ2 4.18Å; Y124-W148 HydrophobicContact CD2-CZ3 4.49Å; Y124-W148 AromaticContact CE2-CH2 3.58Å; Y124-W148 HydrophobicContact CE2-CH2 3.58Å; Y124-W148 AromaticContact CE2-CZ2 3.52Å; Y124-W148 HydrophobicContact CE2-CZ2 3.52Å
125K97.7Very high98Very high168 Ų16846.9 Ų46.973%0.7324%0.238SC*.Hα-helixtrans-65.9-43.1-174.6-175.2-175.3173.8-168.90111.5T123 A129T123-K125 PolarHBondContact O-N 3.28Å; K125-A129 VanDerWaalsContact O-CB 3.28Å; K125-A129 WeakPolarHBondContact O-CB 3.48Å; K125-A129 PolarHBondContact O-N 3.1Å
126E97.9Very high98Very high47 Ų4748 Ų4822%0.2225%0.25CS..Hα-helixtrans-63.8-49.9177.1-66.6159.9147.800110.5F96 Y121 T123 Q128 A129 A130F96-E126 WeakPolarHBondContact O-CB 3.48Å; F96-E126 WeakPolarHBondContact O-CG 3.46Å; Y121-E126 HydrophobicContact CD1-CB 3.82Å; Y121-E126 HydrophobicContact CE1-CB 4.48Å; Y121-E126 HydrophobicContact CG-CB 3.98Å; T123-E126 WeakPolarHBondContact CB-OE2 3.47Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.48Å; T123-E126 PolarHBondContact N-OE2 3.08Å; T123-E126 PolarHBondContact O-N 2.62Å; T123-E126 WeakPolarHBondContact OG1-CG 3.46Å; T123-E126 PolarHBondContact OG1-N 3.22Å; T123-E126 PolarHBondContact OG1-OE2 3.25Å; E126-Q128 PolarHBondContact O-N 3.17Å; E126-A129 PolarHBondContact O-N 3.49Å; E126-A130 WeakPolarHBondContact O-CB 3.29Å; E126-A130 PolarHBondContact O-N 3.35Å
127A97.8Very high98Very high0 Ų049.2 Ų49.20%026%0.258CS..Hα-helixtrans-61.9-42.5178.600000112.7W73 L75 Y121 T123 Y124 A130 M131 W148W73-A127 HydrophobicContact CB-CB 3.8Å; L75-A127 HydrophobicContact CD1-CB 4.41Å; L75-A127 WeakPolarHBondContact CD1-O 3.2Å; L75-A127 HydrophobicContact CD2-CB 4.22Å; L75-A127 HydrophobicContact CG-CB 4.24Å; Y121-A127 HydrophobicContact CD2-CB 3.88Å; Y121-A127 HydrophobicContact CG-CB 4.42Å; T123-A127 PolarHBondContact O-N 3.38Å; Y124-A127 PolarHBondContact O-N 2.94Å; A127-A130 PolarHBondContact O-N 2.59Å; A127-M131 WeakPolarHBondContact O-CB 3.42Å; A127-M131 PolarHBondContact O-N 3.4Å; A127-W148 HydrophobicContact CB-CH2 3.78Å; A127-W148 HydrophobicContact CB-CZ3 3.55Å
128Q97.8Very high97.9Very high59 Ų5953 Ų5328%0.27628%0.278SS..Hα-helixtrans-65-42.3177.3-167.8-168.1-97.100111.2Y124 E126 M131 E132 W148Y124-Q128 HydrophobicContact CE1-CB 4.15Å; Y124-Q128 HydrophobicContact CE1-CG 4.38Å; Y124-Q128 VanDerWaalsContact O-CB 3.29Å; Y124-Q128 WeakPolarHBondContact O-CB 3.19Å; Y124-Q128 PolarHBondContact O-N 3.14Å; Y124-Q128 PolarHBondContact OH-OE1 2.84Å; E126-Q128 PolarHBondContact O-N 3.17Å; Q128-M131 HydrophobicContact CG-CE 4.24Å; Q128-M131 PolarHBondContact O-N 3.01Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.07Å; Q128-E132 PolarHBondContact NE2-OE1 3.43Å; Q128-E132 WeakPolarHBondContact O-CG 3.36Å; Q128-E132 PolarHBondContact O-N 2.96Å; Q128-W148 HydrophobicContact CB-CH2 4.1Å; Q128-W148 HydrophobicContact CB-CZ2 4Å; Q128-W148 HydrophobicContact CG-CZ2 4.26Å
129A98.3Very high97.8Very high37 Ų3751.5 Ų51.531%0.30627%0.27SS..Hα-helixtrans-63.5-42.2177.400000112F96 K125 E126 E132 G133F96-A129 HydrophobicContact CD1-CB 4.07Å; F96-A129 WeakPolarHBondContact CD1-O 3.29Å; F96-A129 WeakPolarHBondContact CE1-O 3.29Å; K125-A129 VanDerWaalsContact O-CB 3.28Å; K125-A129 WeakPolarHBondContact O-CB 3.48Å; K125-A129 PolarHBondContact O-N 3.1Å; E126-A129 PolarHBondContact O-N 3.49Å; A129-E132 PolarHBondContact O-N 3.41Å; A129-G133 PolarHBondContact O-N 3.04Å
130A98.4Very high97.6Very high0 Ų055.6 Ų55.60%029%0.291CS..Hα-helixtrans-61.8-45.217500000111.6L75 F93 F96 Y121 E126 A127 G133 L134L75-A130 HydrophobicContact CD1-CB 3.87Å; F93-A130 HydrophobicContact CD1-CB 4.37Å; F96-A130 HydrophobicContact CB-CB 3.72Å; F96-A130 HydrophobicContact CD1-CB 4.38Å; F96-A130 HydrophobicContact CD2-CB 3.98Å; F96-A130 VanDerWaalsContact CG-CA 3.49Å; F96-A130 HydrophobicContact CG-CB 3.76Å; Y121-A130 HydrophobicContact CE2-CB 3.77Å; E126-A130 WeakPolarHBondContact O-CB 3.29Å; E126-A130 PolarHBondContact O-N 3.35Å; A127-A130 PolarHBondContact O-N 2.59Å; A130-G133 PolarHBondContact O-N 3.5Å; A130-L134 VanDerWaalsContact O-CB 3.23Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 WeakPolarHBondContact O-CG 3.28Å; A130-L134 PolarHBondContact O-N 3.27Å
131M98Very high97.4Very high33 Ų3357.8 Ų57.816%0.16332%0.318CS..Hα-helixtrans-59.8-50.5176.6-176.1-174.861.800111.7L75 A127 Q128 G133 N135 V146 W148L75-M131 HydrophobicContact CD1-CB 4.44Å; L75-M131 HydrophobicContact CD2-CB 4.17Å; A127-M131 WeakPolarHBondContact O-CB 3.42Å; A127-M131 PolarHBondContact O-N 3.4Å; Q128-M131 HydrophobicContact CG-CE 4.24Å; Q128-M131 PolarHBondContact O-N 3.01Å; M131-G133 VanDerWaalsContact C-N 3.33Å; M131-G133 PolarHBondContact O-N 2.99Å; M131-N135 WeakPolarHBondContact O-CB 3.42Å; M131-N135 PolarHBondContact O-N 2.97Å; M131-V146 HydrophobicContact CB-CG1 4.16Å; M131-V146 HydrophobicContact CG-CB 4.49Å; M131-V146 HydrophobicContact CG-CG1 4.22Å; M131-V146 WeakPolarHBondContact CG-O 3.46Å; M131-W148 HydrophobicContact CE-CZ2 3.96Å; M131-W148 HydrophobicContact SD-CD2 4.32Å; M131-W148 HydrophobicContact SD-CG 4.28Å; M131-W148 HydrophobicContact SD-CZ2 4.46Å
132E97.8Very high97.3Very high135 Ų13561.3 Ų61.363%0.63134%0.335SS*.Hα-helixtrans-64.5-36.3179.2-71.5172.3-168.500112.7Q128 A129Q128-E132 WeakPolarHBondContact CG-OE1 3.07Å; Q128-E132 PolarHBondContact NE2-OE1 3.43Å; Q128-E132 WeakPolarHBondContact O-CG 3.36Å; Q128-E132 PolarHBondContact O-N 2.96Å; A129-E132 PolarHBondContact O-N 3.41Å
133G97.9Very high97.4Very high27 Ų2760.8 Ų60.828%0.27834%0.338SS..Hα-helixtrans-78.6-34.2-178.200000114.2A129 A130 M131 Q137A129-G133 PolarHBondContact O-N 3.04Å; A130-G133 PolarHBondContact O-N 3.5Å; M131-G133 VanDerWaalsContact C-N 3.33Å; M131-G133 PolarHBondContact O-N 2.99Å; G133-Q137 WeakPolarHBondContact O-CG 3.47Å
134L98.4Very high97.5Very high8 Ų858.2 Ų58.24%0.04232%0.323CS..Hα-helixtrans-108-17.5-170.1-62.3178.6000114.5K92 F93 F96 A130 G136 Q137 I144 V146K92-L134 HydrophobicContact CD-CD2 4.35Å; K92-L134 HydrophobicContact CG-CD1 4.26Å; K92-L134 HydrophobicContact CG-CD2 3.76Å; F93-L134 HydrophobicContact CD1-CD1 3.7Å; F93-L134 HydrophobicContact CD2-CD1 3.72Å; F93-L134 HydrophobicContact CE1-CD1 3.66Å; F93-L134 HydrophobicContact CE2-CD1 3.69Å; F93-L134 HydrophobicContact CG-CD1 3.73Å; F93-L134 HydrophobicContact CZ-CD1 3.64Å; F96-L134 HydrophobicContact CD2-CD1 4.05Å; F96-L134 HydrophobicContact CD2-CG 4.36Å; F96-L134 HydrophobicContact CE2-CD1 3.62Å; F96-L134 HydrophobicContact CE2-CD2 3.78Å; F96-L134 HydrophobicContact CE2-CG 3.52Å; F96-L134 HydrophobicContact CZ-CD1 4.46Å; F96-L134 HydrophobicContact CZ-CD2 4.07Å; F96-L134 HydrophobicContact CZ-CG 3.89Å; A130-L134 VanDerWaalsContact O-CB 3.23Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 WeakPolarHBondContact O-CG 3.28Å; A130-L134 PolarHBondContact O-N 3.27Å; L134-G136 PolarHBondContact O-N 3.42Å; L134-Q137 HydrophobicContact CD2-CG 4.44Å; L134-Q137 VanDerWaalsContact O-CB 3.32Å; L134-Q137 WeakPolarHBondContact O-CB 3.32Å; L134-Q137 PolarHBondContact O-N 2.97Å; L134-I144 HydrophobicContact CB-CD1 4.39Å; L134-V146 HydrophobicContact CB-CG2 4.06Å
135N98.3Very high97.6Very high77 Ų7756.5 Ų56.541%0.41232%0.323SS..THydrogen-bonded Turntrans-63123.7177-17228.4000110.8M131 Q137 S145 V146M131-N135 WeakPolarHBondContact O-CB 3.42Å; M131-N135 PolarHBondContact O-N 2.97Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-S145 VanDerWaalsContact OD1-CA 3.31Å; N135-S145 WeakPolarHBondContact OD1-CA 3.49Å; N135-V146 HydrophobicContact CB-CB 4.16Å; N135-V146 PolarHBondContact OD1-N 2.88Å
136G97.9Very high97.6Very high46 Ų4648.5 Ų48.547%0.47429%0.289SS..THydrogen-bonded Turntrans79.66.2-17600000114.7L134 T143 I144L134-G136 PolarHBondContact O-N 3.42Å; G136-T143 WeakPolarHBondContact O-CG2 2.8Å; G136-I144 VanDerWaalsContact CA-O 3.31Å; G136-I144 WeakPolarHBondContact CA-O 3.39Å; G136-I144 PolarHBondContact N-O 3.26Å
137Q98.1Very high97.7Very high97 Ų9750.2 Ų50.245%0.45330%0.299SS..  trans-78.9159.6173.8-66.5-61.6-29.900112G133 L134 N135 T143 I144G133-Q137 WeakPolarHBondContact O-CG 3.47Å; L134-Q137 HydrophobicContact CD2-CG 4.44Å; L134-Q137 VanDerWaalsContact O-CB 3.32Å; L134-Q137 WeakPolarHBondContact O-CB 3.32Å; L134-Q137 PolarHBondContact O-N 2.97Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; Q137-T143 CarbonylContact O-C 3.47Å; Q137-T143 WeakPolarHBondContact O-CA 3.34Å; Q137-I144 VanDerWaalsContact O-CG1 3.32Å; Q137-I144 WeakPolarHBondContact O-CG1 3.45Å; Q137-I144 PolarHBondContact O-N 2.69Å
138D97.4Very high97.7Very high78 Ų7852.5 Ų52.542%0.41731%0.308SS..EExtended strand (participates in β ladder)trans-84.7134.1175.3-175.4-91.7000111.7K92 G141 Q142K92-D138 PolarHBondContact NZ-O 2.82Å; D138-G141 WeakPolarHBondContact OD1-CA 3.42Å; D138-G141 PolarHBondContact OD1-N 3.44Å; D138-G141 WeakPolarHBondContact OD2-CA 3.1Å; D138-G141 PolarHBondContact OD2-N 2.89Å; D138-Q142 PolarHBondContact OD2-N 3.06Å
139L95.2Very high97.6Very high11 Ų1151 Ų516%0.05831%0.305CS..EExtended strand (participates in β ladder)trans-129.2114.7168.5178.969.1000108.5V80 D88 I89 K92 G141 Q142 I144V80-L139 HydrophobicContact CG1-CD2 4.38Å; D88-L139 HydrophobicContact CB-CD1 4.45Å; I89-L139 HydrophobicContact CD1-CD2 3.49Å; I89-L139 VanDerWaalsContact CD1-CD2 3.49Å; K92-L139 HydrophobicContact CD-CD1 3.79Å; L139-G141 VanDerWaalsContact C-N 3.26Å; L139-G141 PolarHBondContact O-N 3.47Å; L139-Q142 PolarHBondContact N-O 3.15Å; L139-Q142 PolarHBondContact O-N 3.26Å; L139-I144 HydrophobicContact CB-CG2 3.82Å; L139-I144 HydrophobicContact CD2-CG2 4.12Å
140M95.3Very high97.5Very high87 Ų8754.3 Ų54.343%0.42931%0.313SS..THydrogen-bonded Turntrans54.737.5-177.3-56.9178.174.100113.8H81 A84 Q142H81-M140 HydrophobicContact CB-CB 3.99Å; H81-M140 HydrophobicContact CB-SD 4.24Å; A84-M140 VanDerWaalsContact CA-SD 3.51Å; A84-M140 HydrophobicContact CB-SD 3.62Å; M140-Q142 VanDerWaalsContact C-N 3.29Å; M140-Q142 PolarHBondContact O-N 3.38Å
141G95Very high97.2Very high65 Ų6558.1 Ų58.167%0.6734%0.336SS*.THydrogen-bonded Turntrans80.57.6-179.100000114.4D138 L139D138-G141 WeakPolarHBondContact OD1-CA 3.42Å; D138-G141 PolarHBondContact OD1-N 3.44Å; D138-G141 WeakPolarHBondContact OD2-CA 3.1Å; D138-G141 PolarHBondContact OD2-N 2.89Å; L139-G141 VanDerWaalsContact C-N 3.26Å; L139-G141 PolarHBondContact O-N 3.47Å
142Q97.1Very high96.7Very high75 Ų7563.8 Ų63.835%0.3536%0.356SS..EExtended strand (participates in β ladder)trans-122.6129.2176.6-167.6171.6-50.300110.7G79 H81 D138 L139 M140 I144G79-Q142 WeakPolarHBondContact O-CG 3.44Å; G79-Q142 PolarHBondContact O-NE2 2.79Å; H81-Q142 HydrophobicContact CB-CB 4.42Å; D138-Q142 PolarHBondContact OD2-N 3.06Å; L139-Q142 PolarHBondContact N-O 3.15Å; L139-Q142 PolarHBondContact O-N 3.26Å; M140-Q142 VanDerWaalsContact C-N 3.29Å; M140-Q142 PolarHBondContact O-N 3.38Å; Q142-I144 PolarHBondContact O-N 3.09Å
143T98.3Very high95.8Very high87 Ų8760.1 Ų60.153%0.53435%0.354SS..EExtended strand (participates in β ladder)trans-69.4128.2176.8-53.80000111G136 Q137G136-T143 WeakPolarHBondContact O-CG2 2.8Å; Q137-T143 CarbonylContact O-C 3.47Å; Q137-T143 WeakPolarHBondContact O-CA 3.34Å
144I98.6Very high94.7Very high0 Ų063.5 Ų63.50%037%0.371CS..  trans-96.4147.5173.957.5166.9000111.2V77 T78 F93 L134 G136 Q137 L139 Q142 V146V77-I144 HydrophobicContact CG1-CB 4.25Å; V77-I144 HydrophobicContact CG1-CD1 4.35Å; T78-I144 VanDerWaalsContact O-CA 3.31Å; T78-I144 WeakPolarHBondContact O-CA 3.22Å; F93-I144 HydrophobicContact CE2-CD1 4.31Å; F93-I144 HydrophobicContact CZ-CD1 4.44Å; L134-I144 HydrophobicContact CB-CD1 4.39Å; G136-I144 VanDerWaalsContact CA-O 3.31Å; G136-I144 WeakPolarHBondContact CA-O 3.39Å; G136-I144 PolarHBondContact N-O 3.26Å; Q137-I144 VanDerWaalsContact O-CG1 3.32Å; Q137-I144 WeakPolarHBondContact O-CG1 3.45Å; Q137-I144 PolarHBondContact O-N 2.69Å; L139-I144 HydrophobicContact CB-CG2 3.82Å; L139-I144 HydrophobicContact CD2-CG2 4.12Å; Q142-I144 PolarHBondContact O-N 3.09Å; I144-V146 HydrophobicContact CD1-CG2 4.25Å
145S98.7Very high93.1Very high50 Ų5067 Ų6735%0.3539%0.394SS..EExtended strand (participates in β ladder)trans-112.6137.3168.1-60.40000109.5V77 T78 N135V77-S145 CarbonylContact C-O 3.59Å; V77-S145 WeakPolarHBondContact CA-O 3.45Å; T78-S145 PolarHBondContact N-O 2.88Å; T78-S145 PolarHBondContact O-N 3.15Å; N135-S145 VanDerWaalsContact OD1-CA 3.31Å; N135-S145 WeakPolarHBondContact OD1-CA 3.49Å
146V98.6Very high91.5Very high0 Ų072.3 Ų72.30%041%0.414CS..EExtended strand (participates in β ladder)trans-126.4121.4-176.3-172.90000108.6L75 V77 F93 M131 L134 N135 I144L75-V146 HydrophobicContact CB-CG1 4.1Å; L75-V146 HydrophobicContact CD1-CG1 3.84Å; L75-V146 HydrophobicContact CD2-CG1 4.49Å; L75-V146 HydrophobicContact CG-CG1 4.37Å; V77-V146 HydrophobicContact CG1-CG2 4.28Å; V77-V146 HydrophobicContact CG2-CG1 4.36Å; V77-V146 HydrophobicContact CG2-CG2 4.38Å; F93-V146 HydrophobicContact CE1-CG1 4.35Å; F93-V146 HydrophobicContact CE1-CG2 4.5Å; F93-V146 HydrophobicContact CZ-CG2 4.04Å; M131-V146 HydrophobicContact CB-CG1 4.16Å; M131-V146 HydrophobicContact CG-CB 4.49Å; M131-V146 HydrophobicContact CG-CG1 4.22Å; M131-V146 WeakPolarHBondContact CG-O 3.46Å; L134-V146 HydrophobicContact CB-CG2 4.06Å; N135-V146 HydrophobicContact CB-CB 4.16Å; N135-V146 PolarHBondContact OD1-N 2.88Å; I144-V146 HydrophobicContact CD1-CG2 4.25Å
147D98.3Very high89.6Confident82 Ų8276.9 Ų76.944%0.43943%0.427SS..EExtended strand (participates in β ladder)trans-135166.7-178.6-66.8-72.7000110.7L75 F76 A149L75-D147 CarbonylContact C-O 3.59Å; L75-D147 WeakPolarHBondContact CA-O 3.48Å; F76-D147 PolarHBondContact N-O 2.86Å; F76-D147 PolarHBondContact O-N 3.05Å; D147-A149 PolarHBondContact O-N 3.14Å
148W97.7Very high87.4Confident48 Ų4881.5 Ų81.518%0.18245%0.446CS..EExtended strand (participates in β ladder)trans-67.2130169.5-62.5109.3000110.7P66 W73 L75 Y124 A127 Q128 M131 F150P66-W148 HydrophobicContact CB-CB 4.09Å; P66-W148 HydrophobicContact CB-CD2 3.42Å; P66-W148 VanDerWaalsContact CB-CD2 3.42Å; P66-W148 HydrophobicContact CB-CE3 3.88Å; P66-W148 HydrophobicContact CB-CG 3.52Å; P66-W148 HydrophobicContact CB-CZ2 4.34Å; P66-W148 HydrophobicContact CG-CD2 4.04Å; P66-W148 HydrophobicContact CG-CG 4.31Å; P66-W148 HydrophobicContact CG-CZ2 4.09Å; W73-W148 HydrophobicContact CB-CZ3 4.17Å; W73-W148 HydrophobicContact CE3-CE3 4.44Å; W73-W148 HydrophobicContact CE3-CH2 4.48Å; W73-W148 AromaticContact CE3-CZ3 3.96Å; W73-W148 HydrophobicContact CE3-CZ3 3.96Å; L75-W148 HydrophobicContact CD2-CD2 4.19Å; L75-W148 HydrophobicContact CD2-CE3 3.66Å; L75-W148 HydrophobicContact CD2-CZ3 3.84Å; Y124-W148 AromaticContact CD2-CH2 3.74Å; Y124-W148 HydrophobicContact CD2-CH2 3.74Å; Y124-W148 HydrophobicContact CD2-CZ2 4.18Å; Y124-W148 HydrophobicContact CD2-CZ3 4.49Å; Y124-W148 AromaticContact CE2-CH2 3.58Å; Y124-W148 HydrophobicContact CE2-CH2 3.58Å; Y124-W148 AromaticContact CE2-CZ2 3.52Å; Y124-W148 HydrophobicContact CE2-CZ2 3.52Å; A127-W148 HydrophobicContact CB-CH2 3.78Å; A127-W148 HydrophobicContact CB-CZ3 3.55Å; Q128-W148 HydrophobicContact CB-CH2 4.1Å; Q128-W148 HydrophobicContact CB-CZ2 4Å; Q128-W148 HydrophobicContact CG-CZ2 4.26Å; M131-W148 HydrophobicContact CE-CZ2 3.96Å; M131-W148 HydrophobicContact SD-CD2 4.32Å; M131-W148 HydrophobicContact SD-CG 4.28Å; M131-W148 HydrophobicContact SD-CZ2 4.46Å; W148-F150 VanDerWaalsContact C-N 3.32Å; W148-F150 PolarHBondContact O-N 2.82Å
149A96.8Very high85.2Confident27 Ų2787.5 Ų87.522%0.22346%0.462CS..SBendtrans-69.3-32.3179.800000112.7I74 F76 L118 D147I74-A149 HydrophobicContact CB-CB 3.97Å; I74-A149 HydrophobicContact CG2-CB 3.67Å; I74-A149 VanDerWaalsContact O-CB 3.29Å; I74-A149 WeakPolarHBondContact O-CB 3.44Å; I74-A149 PolarHBondContact O-N 2.75Å; F76-A149 HydrophobicContact CB-CB 3.98Å; L118-A149 HydrophobicContact CD2-CB 3.98Å; D147-A149 PolarHBondContact O-N 3.14Å
150F95.1Very high83Confident107 Ų10798.4 Ų98.447%0.46950%0.503SS..  trans-130.1136.3179.3-54.5-69.1000110.6Q67 I74 W148Q67-F150 HydrophobicContact CB-CB 4Å; Q67-F150 HydrophobicContact CG-CB 4.45Å; Q67-F150 PolarHBondContact N-O 3.45Å; I74-F150 HydrophobicContact CB-CE2 4.39Å; I74-F150 HydrophobicContact CD1-CE2 4.14Å; W148-F150 VanDerWaalsContact C-N 3.32Å; W148-F150 PolarHBondContact O-N 2.82Å
151V93.5Very high80.5Confident80 Ų8097.8 Ų97.849%0.48552%0.518SS..BIsolated β-bridgetrans-112.2159.5172.5-65.10000109.5P64P64-V151 HydrophobicContact CB-CB 4.18Å; P64-V151 HydrophobicContact CB-CG2 4.46Å; P64-V151 HydrophobicContact CG-CB 3.95Å; P64-V151 HydrophobicContact CG-CG2 3.88Å
152R87.6Confident78.3Confident153 Ų15398.2 Ų98.258%0.57752%0.523SS*.PPolyproline II helixtrans-59.1152.8168.7-70.1173.6-175.5-175.50.3109.2P64 G65 Q67P64-R152 HydrophobicContact CB-CB 4.25Å; P64-R152 WeakPolarHBondContact CB-O 3.37Å; G65-R152 WeakPolarHBondContact O-CG 3.45Å; G65-R152 PolarHBondContact O-N 2.88Å; Q67-R152 HydrophobicContact CB-CG 4.47Å
153G78.3Confident75.9Confident57 Ų5797.7 Ų97.759%0.58854%0.538SS*.PPolyproline II helixtrans-53.6158.3176.200000111.8
154P75.4Confident73.7Confident98 Ų98104.3 Ų104.364%0.63655%0.553SS**PPolyproline II helixtrans-52.1142.1-179.622-32.5000110.2K156P154-K156 PolarHBondContact O-N 3.18Å
155P64.9Low71.5Confident82 Ų82116 Ų11653%0.53260%0.597SS.*  trans-57.5110.6179.222.8-31.6000108.3N157P155-N157 PolarHBondContact O-N 3.45Å
156K63.9Low69.3Low188 Ų188124.1 Ų124.182%0.81762%0.62SS**  trans-60.2108.4173.1-68.8-171.3178.5-172.70106.2P154 K158P154-K156 PolarHBondContact O-N 3.18Å; K156-K158 VanDerWaalsContact C-N 3.27Å; K156-K158 PolarHBondContact O-N 2.7Å
157N57.2Low67.3Low142 Ų142129.1 Ų129.176%0.75966%0.655SS**  trans-53.9100.2168.7-99.6-18.5000106P155 R159P155-N157 PolarHBondContact O-N 3.45Å; N157-R159 PolarHBondContact O-N 2.73Å
158K52.7Low65.3Low195 Ų195136.9 Ų136.985%0.84868%0.678SS**  trans-59.196.3162.4-86.3179.4180170.60103.1K156 R160K156-K158 VanDerWaalsContact C-N 3.27Å; K156-K158 PolarHBondContact O-N 2.7Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 2.74Å
159R51.3Low63.3Low203 Ų203139.6 Ų139.677%0.76671%0.705SS**  trans-36.2105.5172.5-75.1-177.6165.3169.10105E19 N157 G161E19-R159 IonicContact OE2-NH2 3.88Å; N157-R159 PolarHBondContact O-N 2.73Å; R159-G161 VanDerWaalsContact C-N 3.29Å; R159-G161 WeakPolarHBondContact O-CA 3.45Å; R159-G161 PolarHBondContact O-N 2.76Å
160R49.1Very low61.5Low241 Ų241144.1 Ų144.191%0.90973%0.731SS**  trans-51.4108.3-179.3-74.5171.687.91748.7103K158 G162K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 2.74Å; R160-G162 PolarHBondContact O-N 2.73Å
161G43.4Very low59.6Low73 Ų73145 Ų14575%0.75374%0.741SS**  trans-48.8110.5-169.400000105.6R159 G163R159-G161 VanDerWaalsContact C-N 3.29Å; R159-G161 WeakPolarHBondContact O-CA 3.45Å; R159-G161 PolarHBondContact O-N 2.76Å; G161-G163 PolarHBondContact O-N 2.76Å
162G48.3Very low58Low74 Ų74152.4 Ų152.476%0.76376%0.76SS**  trans-62.785.3177.400000104.7R160 R164R160-G162 PolarHBondContact O-N 2.73Å; G162-R164 PolarHBondContact O-N 2.63Å
163G47.3Very low56.3Low64 Ų64155.7 Ų155.766%0.6677%0.773SS**  trans-56.2102.5175.200000103.4G161 R165G161-G163 PolarHBondContact O-N 2.76Å; G163-R165 PolarHBondContact O-N 2.71Å
164R51.2Low55Low227 Ų227164.3 Ų164.386%0.85779%0.787SS**  trans-44.5100.3171.1-77.1172.6171.4168.9-4.9105G162 R166G162-R164 PolarHBondContact O-N 2.63Å; R164-R166 PolarHBondContact O-N 2.82Å
165R51.4Low53.8Low244 Ų244175 Ų17592%0.92182%0.815SS**  trans-62.787.5157.1-74-172.6177.3-167.10.6102.7G163 S167G163-R165 PolarHBondContact O-N 2.71Å; R165-S167 PolarHBondContact O-N 2.72Å
166R52.8Low53.3Low221 Ų221179.7 Ų179.783%0.83483%0.829SS**  trans-53.899.8161.2-75.4179.4175.4165.5-1.1103.1R164 R168R164-R166 PolarHBondContact O-N 2.82Å; R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 PolarHBondContact O-N 2.93Å
167S56.8Low52.7Low106 Ų106179.2 Ų179.274%0.74183%0.83SS**  trans-52105.7165.335.10000104.9R165 S169R165-S167 PolarHBondContact O-N 2.72Å; S167-S169 VanDerWaalsContact C-N 3.31Å; S167-S169 PolarHBondContact O-N 2.86Å
168R56.2Low52.5Low245 Ų245181.3 Ų181.393%0.92583%0.834SS**  trans-59.1105166.2-84.7176.9166.7167.9-4.7104.6R166R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 PolarHBondContact O-N 2.93Å
169S56.9Low52.5Low105 Ų105180.5 Ų180.573%0.73483%0.833SS**  trans-50.1134.5167.6-59.90000108.2S167 D171S167-S169 VanDerWaalsContact C-N 3.31Å; S167-S169 PolarHBondContact O-N 2.86Å; S169-D171 PolarHBondContact O-N 3.16Å
170P59.1Low52.5Low121 Ų121179.1 Ų179.179%0.78684%0.837SS**  trans-58.8129.5175.8-20.631000110.1R172P170-R172 PolarHBondContact O-N 3.3Å; P170-R172 VanDerWaalsContact O-N 3.16Å
171D55.3Low52.8Low125 Ų125174.9 Ų174.967%0.66883%0.832SS**  trans-58.6113.7173.6-175.526.8000109.2S169 R173S169-D171 PolarHBondContact O-N 3.16Å; D171-R173 VanDerWaalsContact C-N 3.31Å; D171-R173 PolarHBondContact O-N 3.29Å; D171-R173 WeakPolarHBondContact OD2-CG 3.46Å; D171-R173 IonicContact OD2-NE 3.29Å; D171-R173 PolarHBondContact OD2-NE 2.98Å
172R58.1Low53.4Low236 Ų236182.2 Ų182.289%0.89184%0.838SS**  trans-71.788.3169.3-82.7-174.1179.4-174.20.5108.1P170P170-R172 PolarHBondContact O-N 3.3Å; P170-R172 VanDerWaalsContact O-N 3.16Å
173R51.8Low53.8Low222 Ų222190.5 Ų190.584%0.83884%0.844SS**  trans-80.6120.9160.5-78.7-172.4-176.9-162-3.6110.5D171D171-R173 VanDerWaalsContact C-N 3.31Å; D171-R173 PolarHBondContact O-N 3.29Å; D171-R173 WeakPolarHBondContact OD2-CG 3.46Å; D171-R173 IonicContact OD2-NE 3.29Å; D171-R173 PolarHBondContact OD2-NE 2.98Å
174R52.5Low54.4Low238 Ų238201.1 Ų201.190%0.89886%0.859SS**  trans-71.7148.8-177.9-70.2174.4167.7-178.9-4.3111.6
175R50.3Low54.6Low323 Ų323198.7 Ų198.7100%1.21986%0.859SS**  trans42.70142.8-118.9-178.8-171.2-1262.7119.2

Retrieved 175 of 175 residues in 139.1 ms (Link to these results)

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