A0A023T787_HUMAN Loading...

RNA-binding protein 8A

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

AlphaFold DB (Q9Y5S9), UniProt , Accession A0A023T787, Species HUMAN (Homo sapiens, Human), Gene RBM8, Length 174 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
1M43.6Very low51.1Low238 Ų238145.6 Ų145.6100%1.17283%0.832SS**  0111.60-86.8158.8158.100105.4
2A46.1Very low51.3Low99 Ų99139.8 Ų139.882%0.81883%0.827SS**  trans-85.9116.5170.400000106V4A2-V4 PolarHBondContact O-N 3.05Å
3D50.1Low52.8Low155 Ų155143.1 Ų143.183%0.82983%0.829SS**  trans-66.2115.7173-74-40.4000108.2L5D3-L5 PolarHBondContact O-N 3.18Å
4V51Low54.7Low122 Ų122143.9 Ų143.974%0.73983%0.829SS**  trans-73.5108.5167.7172.70000105.5A2 D6A2-V4 PolarHBondContact O-N 3.05Å; V4-D6 PolarHBondContact O-N 2.89Å; V4-D6 VanDerWaalsContact O-N 3.13Å
5L53.8Low56.4Low156 Ų156148.1 Ų148.182%0.81783%0.834SS**  trans-62.4112.4165.7-76.5163.5000107.6D3 L7D3-L5 PolarHBondContact O-N 3.18Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.77Å
6D50.9Low58.1Low138 Ų138144.6 Ų144.674%0.73883%0.83SS**  trans-6396.2165.8-78.6-38.1000108V4 H8V4-D6 PolarHBondContact O-N 2.89Å; V4-D6 VanDerWaalsContact O-N 3.13Å; D6-H8 VanDerWaalsContact C-N 3.27Å; D6-H8 PolarHBondContact O-N 2.57Å
7L55.8Low59.6Low171 Ų171146.8 Ų146.890%0.89583%0.833SS**  trans-57.396162.4-92.6145.6000106.8L5 E9L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.77Å; L7-E9 PolarHBondContact O-N 3.09Å
8H52.8Low61.1Low175 Ų175143.2 Ų143.281%0.8181%0.812SS**  trans-49.5129.1166.7-8568.3000107.5D6 A10D6-H8 VanDerWaalsContact C-N 3.27Å; D6-H8 PolarHBondContact O-N 2.57Å; H8-A10 PolarHBondContact O-N 3.01Å
9E51Low62.4Low186 Ų186143.7 Ų143.787%0.86981%0.807SS**  trans-38.3123.4178-65.8174.7149.600109.5L7 G11L7-E9 PolarHBondContact O-N 3.09Å; E9-G11 PolarHBondContact O-N 2.63Å
10A56Low63.6Low103 Ų103142.8 Ų142.885%0.85180%0.8SS**  trans-61.584.4162.300000106.3H8 G12H8-A10 PolarHBondContact O-N 3.01Å; A10-G12 PolarHBondContact O-N 2.71Å
11G51.4Low64.6Low59 Ų59136.7 Ų136.761%0.60877%0.769SS**  trans-51.8113.7166.500000105E9 E13E9-G11 PolarHBondContact O-N 2.63Å; G11-E13 PolarHBondContact O-N 2.72Å
12G52.9Low66.8Low75 Ų75130.6 Ų130.677%0.77374%0.741SS**  trans-66.969.6179.900000109.9A10 D14A10-G12 PolarHBondContact O-N 2.71Å; G12-D14 PolarHBondContact O-N 2.95Å; G12-D14 VanDerWaalsContact O-N 3.12Å
13E70.8Confident68.8Low183 Ų183131 Ų13186%0.85573%0.726SS**  trans-66.2105.4162-66.8-171163.300105.6G11 F15G11-E13 PolarHBondContact O-N 2.72Å; E13-F15 PolarHBondContact O-N 2.67Å
14D79.7Confident70.5Confident154 Ų154126.8 Ų126.882%0.82471%0.708SS**PPolyproline II helixtrans-53.2138.9167.4-72.2-46.5000108.4G12 A16G12-D14 PolarHBondContact O-N 2.95Å; G12-D14 VanDerWaalsContact O-N 3.12Å; D14-A16 PolarHBondContact O-N 2.76Å
15F80.8Confident72.2Confident207 Ų207124.7 Ų124.791%0.90869%0.693SS**PPolyproline II helixtrans-52.3128.3174.6-67.3-71.6000109.4E13 M17E13-F15 PolarHBondContact O-N 2.67Å; F15-M17 PolarHBondContact O-N 3.2Å
16A83Confident73.8Confident93 Ų93122.5 Ų122.577%0.76968%0.678SS**PPolyproline II helixtrans-57.2135.2174.700000109.7D14 D18D14-A16 PolarHBondContact O-N 2.76Å; A16-D18 PolarHBondContact O-N 2.72Å
17M84.2Confident75.6Confident181 Ų181120.8 Ų120.889%0.89266%0.664SS**PPolyproline II helixtrans-64.6122.6175-69.9-171.3-6700109.7F15F15-M17 PolarHBondContact O-N 3.2Å
18D85.6Confident77.2Confident83 Ų83118.6 Ų118.644%0.44465%0.652SS.*  trans-121.884.1177.6-179.412.2000109.7A16 D20 G21 D22A16-D18 PolarHBondContact O-N 2.72Å; D18-D20 VanDerWaalsContact C-N 3.26Å; D18-D20 PolarHBondContact O-N 2.65Å; D18-D20 PolarHBondContact OD1-N 3.38Å; D18-G21 VanDerWaalsContact CG-N 3.33Å; D18-G21 PolarHBondContact O-N 3.38Å; D18-G21 PolarHBondContact OD1-N 3.18Å; D18-G21 WeakPolarHBondContact OD2-CA 3.35Å; D18-G21 PolarHBondContact OD2-N 3.31Å; D18-D22 PolarHBondContact O-N 3.27Å
19E87.2Confident78.8Confident153 Ų153116.7 Ų116.772%0.71564%0.642SS**Hα-helixtrans-59.3-37.7-179.1-64.7-177.6172.900112D22 E23E19-D22 PolarHBondContact O-N 3.44Å; E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 WeakPolarHBondContact O-CG 3.39Å; E19-E23 PolarHBondContact O-N 3.05Å
20D85.9Confident80.6Confident125 Ų125114.2 Ų114.267%0.66863%0.63SS**Hα-helixtrans-67.1-44.3178.7-79.8-36.8000110.9D18 S24D18-D20 VanDerWaalsContact C-N 3.26Å; D18-D20 PolarHBondContact O-N 2.65Å; D18-D20 PolarHBondContact OD1-N 3.38Å; D20-S24 WeakPolarHBondContact O-CB 3.23Å; D20-S24 PolarHBondContact O-N 2.97Å
21G85Confident82.2Confident14 Ų14117.1 Ų117.114%0.14462%0.624CS.*Hα-helixtrans-59.1-49.2173.600000112.1D18 E23 S24 I25D18-G21 VanDerWaalsContact CG-N 3.33Å; D18-G21 PolarHBondContact O-N 3.38Å; D18-G21 PolarHBondContact OD1-N 3.18Å; D18-G21 WeakPolarHBondContact OD2-CA 3.35Å; D18-G21 PolarHBondContact OD2-N 3.31Å; G21-E23 PolarHBondContact O-N 3.41Å; G21-S24 WeakPolarHBondContact O-CB 3Å; G21-S24 PolarHBondContact O-N 2.92Å; G21-S24 VanDerWaalsContact O-N 3.14Å; G21-S24 PolarHBondContact O-OG 3.35Å; G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 2.84Å
22D88.4Confident83.8Confident111 Ų111116.6 Ų116.659%0.59461%0.614SS**Hα-helixtrans-61.1-45178.3-78.8-22.9000112.3D18 E19 S24 I25 H26D18-D22 PolarHBondContact O-N 3.27Å; E19-D22 PolarHBondContact O-N 3.44Å; D22-S24 VanDerWaalsContact C-N 3.3Å; D22-S24 PolarHBondContact O-N 3.24Å; D22-I25 PolarHBondContact O-N 3.19Å; D22-H26 WeakPolarHBondContact O-CB 3.1Å; D22-H26 PolarHBondContact O-N 3.15Å
23E88.4Confident85.4Confident106 Ų106123 Ų12350%0.49562%0.62SS.*Hα-helixtrans-60.2-39.8173.9-82.7-162.2-172.400112.4E19 G21 H26 K27E19-E23 WeakPolarHBondContact O-CB 3.4Å; E19-E23 WeakPolarHBondContact O-CG 3.39Å; E19-E23 PolarHBondContact O-N 3.05Å; G21-E23 PolarHBondContact O-N 3.41Å; E23-H26 PolarHBondContact O-N 3.43Å; E23-K27 WeakPolarHBondContact O-CG 3.38Å; E23-K27 PolarHBondContact O-N 2.96Å; E23-K27 IonicContact OE2-NZ 3.78Å; E23-K27 PolarHBondContact OE2-NZ 3.4Å
24S85.9Confident85.9Confident67 Ų67122.3 Ų122.347%0.46961%0.614SS.*Hα-helixtrans-64.8-43.5-179.883.20000111.3D20 G21 D22 H26 K27 L28D20-S24 WeakPolarHBondContact O-CB 3.23Å; D20-S24 PolarHBondContact O-N 2.97Å; G21-S24 WeakPolarHBondContact O-CB 3Å; G21-S24 PolarHBondContact O-N 2.92Å; G21-S24 VanDerWaalsContact O-N 3.14Å; G21-S24 PolarHBondContact O-OG 3.35Å; D22-S24 VanDerWaalsContact C-N 3.3Å; D22-S24 PolarHBondContact O-N 3.24Å; S24-H26 VanDerWaalsContact C-N 3.35Å; S24-K27 PolarHBondContact O-N 2.96Å; S24-L28 WeakPolarHBondContact O-CB 3.47Å; S24-L28 PolarHBondContact O-N 3.14Å
25I87.4Confident85.8Confident79 Ų79121.7 Ų121.741%0.40560%0.6SS.*Hα-helixtrans-65-40.9175.8-66.5172.4000110G21 D22 L28 K29G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 2.84Å; D22-I25 PolarHBondContact O-N 3.19Å; I25-L28 PolarHBondContact O-N 2.99Å; I25-K29 HydrophobicContact CG2-CD 4Å; I25-K29 HydrophobicContact CG2-CG 4.44Å; I25-K29 WeakPolarHBondContact O-CB 3.33Å; I25-K29 WeakPolarHBondContact O-CG 3.29Å; I25-K29 PolarHBondContact O-N 3.36Å
26H86.9Confident85.8Confident110 Ų110115.7 Ų115.751%0.50957%0.574SS.*Hα-helixtrans-59.5-50.9175.7-171.4-87.1000111.4D22 E23 S24 L28 K29 E30D22-H26 WeakPolarHBondContact O-CB 3.1Å; D22-H26 PolarHBondContact O-N 3.15Å; E23-H26 PolarHBondContact O-N 3.43Å; S24-H26 VanDerWaalsContact C-N 3.35Å; H26-L28 VanDerWaalsContact C-N 3.28Å; H26-L28 PolarHBondContact O-N 2.72Å; H26-K29 PolarHBondContact O-N 3.34Å; H26-E30 VanDerWaalsContact CE1-CD 3.42Å; H26-E30 IonicContact CE1-OE1 3.83Å; H26-E30 PolarHBondContact CE1-OE1 3.13Å; H26-E30 IonicContact ND1-OE1 2.73Å; H26-E30 IonicContact ND1-OE2 2.73Å; H26-E30 PolarHBondContact O-N 3.43Å
27K89.5Confident85.7Confident102 Ų102113.3 Ų113.344%0.44356%0.558SS.*Hα-helixtrans-60.3-36.3176.7-71.2163.9-170.91500112.2E23 S24 K31E23-K27 WeakPolarHBondContact O-CG 3.38Å; E23-K27 PolarHBondContact O-N 2.96Å; E23-K27 IonicContact OE2-NZ 3.78Å; E23-K27 PolarHBondContact OE2-NZ 3.4Å; S24-K27 PolarHBondContact O-N 2.96Å; K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 3.4Å
28L88.4Confident85.6Confident125 Ų125117 Ų11765%0.65456%0.562SS**Hα-helixtrans-65.8-46.5175.9-175.267.8000111.2S24 I25 H26 E30 K31 A32S24-L28 WeakPolarHBondContact O-CB 3.47Å; S24-L28 PolarHBondContact O-N 3.14Å; I25-L28 PolarHBondContact O-N 2.99Å; H26-L28 VanDerWaalsContact C-N 3.28Å; H26-L28 PolarHBondContact O-N 2.72Å; L28-E30 PolarHBondContact O-N 3.47Å; L28-K31 PolarHBondContact O-N 2.99Å; L28-A32 PolarHBondContact O-N 2.95Å
29K87.3Confident85.4Confident134 Ų134116.9 Ų116.958%0.58358%0.581SS**Hα-helixtrans-62.9-38.5177.3-73.9173179.9169.90112.3I25 H26 K31 A32I25-K29 HydrophobicContact CG2-CD 4Å; I25-K29 HydrophobicContact CG2-CG 4.44Å; I25-K29 WeakPolarHBondContact O-CB 3.33Å; I25-K29 WeakPolarHBondContact O-CG 3.29Å; I25-K29 PolarHBondContact O-N 3.36Å; H26-K29 PolarHBondContact O-N 3.34Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K29-K31 PolarHBondContact O-N 3.36Å; K29-A32 WeakPolarHBondContact O-CB 3.44Å; K29-A32 PolarHBondContact O-N 2.68Å
30E87.8Confident84.8Confident134 Ų134113.8 Ų113.863%0.62657%0.565SS**Hα-helixtrans-65.9-33.3175.9-75-171.2145.400113.1H26 L28 A32H26-E30 VanDerWaalsContact CE1-CD 3.42Å; H26-E30 IonicContact CE1-OE1 3.83Å; H26-E30 PolarHBondContact CE1-OE1 3.13Å; H26-E30 IonicContact ND1-OE1 2.73Å; H26-E30 IonicContact ND1-OE2 2.73Å; H26-E30 PolarHBondContact O-N 3.43Å; L28-E30 PolarHBondContact O-N 3.47Å; E30-A32 PolarHBondContact O-N 3.26Å
31K89.4Confident83.9Confident165 Ų165111 Ų11172%0.71757%0.566SS**Hα-helixtrans-74.4-12.5177.4-73.3174.2-176172.20113.6K27 L28 K29 K33K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 3.4Å; L28-K31 PolarHBondContact O-N 2.99Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K29-K31 PolarHBondContact O-N 3.36Å; K31-K33 PolarHBondContact O-N 2.86Å; K31-K33 VanDerWaalsContact O-N 3.12Å
32A86.2Confident82.2Confident48 Ų48116.3 Ų116.340%0.39760%0.601SS.*  trans-69.2107.4-178.700000111.3L28 K29 E30 K34L28-A32 PolarHBondContact O-N 2.95Å; K29-A32 WeakPolarHBondContact O-CB 3.44Å; K29-A32 PolarHBondContact O-N 2.68Å; E30-A32 PolarHBondContact O-N 3.26Å; A32-K34 VanDerWaalsContact C-N 3.3Å; A32-K34 PolarHBondContact O-N 3.49Å
33K84.7Confident80.5Confident209 Ų209119.5 Ų119.591%0.90961%0.612SS**SBendtrans-72.4-19179.9-62.6-175-178.8179.30114.4K31K31-K33 PolarHBondContact O-N 2.86Å; K31-K33 VanDerWaalsContact O-N 3.12Å
34K82.9Confident78.5Confident168 Ų168123.9 Ų123.973%0.7363%0.633SS**  trans-124.8124.5-178.8-67-177.5179.9177.60108.5A32A32-K34 VanDerWaalsContact C-N 3.3Å; A32-K34 PolarHBondContact O-N 3.49Å
35R77.5Confident76.7Confident142 Ų142122 Ų12254%0.53662%0.624SS.*  trans-127.6133.8177.3-58.6175.578.3162.82.8107.7F40R35-F40 HydrophobicContact CB-CD1 4.48Å; R35-F40 HydrophobicContact CB-CD2 4.16Å; R35-F40 HydrophobicContact CB-CE1 4.47Å; R35-F40 HydrophobicContact CB-CE2 4.15Å; R35-F40 HydrophobicContact CB-CG 4.33Å; R35-F40 HydrophobicContact CB-CZ 4.3Å; R35-F40 HydrophobicContact CG-CZ 4.49Å; R35-F40 VanDerWaalsContact NE-CE1 3.29Å; R35-F40 VanDerWaalsContact NH2-CE1 3.34Å
36K81.3Confident75.2Confident81 Ų81123 Ų12335%0.35264%0.638SS.*  trans-154.1142.7177.1171.2168.3-168.6155.20109.4F40 G45 S46 R47K36-F40 WeakPolarHBondContact O-CE2 3.07Å; K36-G45 VanDerWaalsContact CD-C 3.43Å; K36-G45 VanDerWaalsContact CD-O 3.25Å; K36-G45 WeakPolarHBondContact CD-O 3.26Å; K36-G45 WeakPolarHBondContact CE-O 3.43Å; K36-G45 PolarHBondContact NZ-O 2.88Å; K36-S46 VanDerWaalsContact CD-C 3.45Å; K36-S46 WeakPolarHBondContact CD-O 3.44Å; K36-R47 HydrophobicContact CD-CB 4.3Å; K36-R47 HydrophobicContact CD-CG 3.84Å; K36-R47 VanDerWaalsContact NZ-CG 3.31Å
37G79.6Confident73.5Confident43 Ų43128.5 Ų128.544%0.44365%0.654SS.*SBendtrans128.4160.5171.200000111.3G39 F40G37-G39 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact O-N 3.13Å; G37-F40 PolarHBondContact O-N 3.47Å; G37-F40 VanDerWaalsContact O-N 3.16Å
38R82.6Confident71.8Confident259 Ų259127.3 Ų127.398%0.97766%0.663SS**THydrogen-bonded Turntrans-64.7-15.1-177.1-66.5-179.9175.3177.2-2.7114.1F40R38-F40 VanDerWaalsContact C-N 3.3Å
39G82.3Confident69.9Low80 Ų80133.5 Ų133.583%0.82568%0.678SS**THydrogen-bonded Turntrans-76.3-15.2176.200000114.1G37G37-G39 PolarHBondContact O-N 3.11Å; G37-G39 VanDerWaalsContact O-N 3.13Å
40F74.3Confident68.2Low88 Ų88135.8 Ų135.839%0.38669%0.693SS.*SBendtrans-95.1119.5163.7-52.5-72.3000105.2R35 K36 G37 R38R35-F40 HydrophobicContact CB-CD1 4.48Å; R35-F40 HydrophobicContact CB-CD2 4.16Å; R35-F40 HydrophobicContact CB-CE1 4.47Å; R35-F40 HydrophobicContact CB-CE2 4.15Å; R35-F40 HydrophobicContact CB-CG 4.33Å; R35-F40 HydrophobicContact CB-CZ 4.3Å; R35-F40 HydrophobicContact CG-CZ 4.49Å; R35-F40 VanDerWaalsContact NE-CE1 3.29Å; R35-F40 VanDerWaalsContact NH2-CE1 3.34Å; K36-F40 WeakPolarHBondContact O-CE2 3.07Å; G37-F40 PolarHBondContact O-N 3.47Å; G37-F40 VanDerWaalsContact O-N 3.16Å; R38-F40 VanDerWaalsContact C-N 3.3Å
41G66Low66.5Low67 Ų67140.6 Ų140.669%0.69171%0.705SS**  trans-45.6149.2174.500000110.9E43G41-E43 PolarHBondContact O-N 2.81Å
42S48.5Very low65.1Low125 Ų125138.9 Ų138.987%0.87470%0.7SS**SBendtrans-42.284-164.157.70000116.2
43E53Low64.3Low178 Ų178144 Ų14483%0.83272%0.72SS**  trans-144.1138.6161.6-72.7-167.4139.100108.9G41G41-E43 PolarHBondContact O-N 2.81Å
44E47.6Very low63.5Low198 Ų198137.8 Ų137.893%0.92569%0.692SS**  trans-58.5143.4-156.6-66.117312500115.3
45G48.2Very low62.7Low28 Ų28137.8 Ų137.829%0.28970%0.7SS.*  trans-127.6126.9174.200000113.4K36K36-G45 VanDerWaalsContact CD-C 3.43Å; K36-G45 VanDerWaalsContact CD-O 3.25Å; K36-G45 WeakPolarHBondContact CD-O 3.26Å; K36-G45 WeakPolarHBondContact CE-O 3.43Å; K36-G45 PolarHBondContact NZ-O 2.88Å
46S55.3Low62.1Low100 Ų100135 Ų13570%0.69970%0.702SS**  trans-84.1134.2161.655.90000111.3K36K36-S46 VanDerWaalsContact CD-C 3.45Å; K36-S46 WeakPolarHBondContact CD-O 3.44Å
47R51.3Low61Low225 Ų225134.6 Ų134.685%0.84971%0.706SS**  trans-83.7126.1-179.8-105.4157.5-176.9145.2-1109.2K36K36-R47 HydrophobicContact CD-CB 4.3Å; K36-R47 HydrophobicContact CD-CG 3.84Å; K36-R47 VanDerWaalsContact NZ-CG 3.31Å
48A54.5Low59.9Low76 Ų76140.1 Ų140.163%0.62872%0.72SS**  trans-119.9134.8158.700000107.8
49R48.1Very low58.7Low256 Ų256135.6 Ų135.697%0.96671%0.71SS**PPolyproline II helixtrans-75.5120.1175.1-65.1-179179.3-180-0.6107.6
50M51.5Low57.3Low182 Ų182136.3 Ų136.390%0.89770%0.695SS**PPolyproline II helixtrans-89.8133.5175.1-164.4162.7-17300108.2
51R51.1Low56.4Low234 Ų234136.5 Ų136.588%0.88372%0.722SS**PPolyproline II helixtrans-70.9134170.8-172.8175172.3-170.9-2.5107.2D53R51-D53 PolarHBondContact O-N 3.26Å; R51-D53 VanDerWaalsContact O-N 3.11Å
52E60.6Low56.2Low129 Ų129137.6 Ų137.660%0.60371%0.712SS**  trans-68.1106.4179.2-65.8173.9170.800107.9K114E52-K114 IonicContact OE1-NZ 3.04Å; E52-K114 PolarHBondContact OE1-NZ 3.44Å; E52-K114 WeakPolarHBondContact OE2-CE 3.33Å; E52-K114 IonicContact OE2-NZ 2.9Å; E52-K114 PolarHBondContact OE2-NZ 3.49Å
53D69.1Low57Low155 Ų155135.2 Ų135.283%0.82969%0.687SS**  trans-104.5127.7172.1-164.127.6000105.7R51R51-D53 PolarHBondContact O-N 3.26Å; R51-D53 VanDerWaalsContact O-N 3.11Å
54Y68.4Low58.2Low80 Ų80127.7 Ų127.731%0.31465%0.654SS.*  trans-81.5134.9175.5-67.2-83.3000108S56 F76 T78 K114 Y116Y54-S56 PolarHBondContact O-N 3.38Å; Y54-S56 VanDerWaalsContact O-N 3.11Å; Y54-F76 HydrophobicContact CD1-CE1 4.3Å; Y54-F76 AromaticContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CE1-CZ 4.23Å; Y54-T78 HydrophobicContact CG-CG2 4.43Å; Y54-K114 PolarHBondContact OH-O 2.99Å; Y54-Y116 AromaticContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CE1 4.5Å; Y54-Y116 HydrophobicContact CE1-CG 4.47Å; Y54-Y116 AromaticContact CZ-CD1 3.9Å; Y54-Y116 VanDerWaalsContact OH-CD1 3.26Å; Y54-Y116 WeakPolarHBondContact OH-CD1 3.41Å
55D65.5Low60.1Low167 Ų167119.7 Ų119.789%0.89362%0.624SS**  trans-70.4107.8172.5-154.2-0.9000107.3
56S65Low62.3Low83 Ų83119 Ų11958%0.5862%0.615SS**PPolyproline II helixtrans-94.6136.1170.561.10000108.8Y54 E58Y54-S56 PolarHBondContact O-N 3.38Å; Y54-S56 VanDerWaalsContact O-N 3.11Å; S56-E58 PolarHBondContact O-N 3.28Å
57V58.2Low64.3Low73 Ų73118.3 Ų118.344%0.44260%0.6SS.*PPolyproline II helixtrans-77.2119.5172.3-166.90000106.9Q59 E63 P155V57-Q59 PolarHBondContact O-N 3.32Å; V57-E63 WeakPolarHBondContact CB-OE1 3.46Å; V57-E63 HydrophobicContact CG1-CG 4.12Å; V57-E63 WeakPolarHBondContact CG1-OE1 3.35Å; V57-P155 HydrophobicContact CG1-CG 4.36Å
58E57.5Low66.4Low159 Ų159112.6 Ų112.674%0.74358%0.579SS**PPolyproline II helixtrans-64.4125.4173.6-69.3-170.8155.600109S56 D60S56-E58 PolarHBondContact O-N 3.28Å; E58-D60 PolarHBondContact O-N 2.68Å
59Q55.7Low68.4Low164 Ų164110.2 Ų110.277%0.76656%0.557SS**  trans-69.465.8179.9-164.8177.352.100111.8V57V57-Q59 PolarHBondContact O-N 3.32Å
60D53.3Low70.6Confident96 Ų96104.3 Ų104.351%0.51355%0.55SS..  trans-93.2127.6166.7-96.2-26.6000108E58 D62 E63E58-D60 PolarHBondContact O-N 2.68Å; D60-D62 PolarHBondContact O-N 3Å; D60-E63 PolarHBondContact O-N 2.87Å
61G56.2Low72.7Confident92 Ų92102.6 Ų102.695%0.94854%0.539SS*.THydrogen-bonded Turntrans-61.932.2-167.600000119.7
62D61.2Low74.9Confident90 Ų9091.5 Ų91.548%0.48150%0.497SS..THydrogen-bonded Turntrans-123.124.3165.8-132.1-69.9000110.6D60 K156D60-D62 PolarHBondContact O-N 3Å; D62-K156 HydrophobicContact CB-CB 4.22Å; D62-K156 VanDerWaalsContact OD1-CB 3.23Å; D62-K156 WeakPolarHBondContact OD1-CB 3.37Å; D62-K156 WeakPolarHBondContact OD1-CD 3.47Å
63E64.8Low76.7Confident74 Ų7486.7 Ų86.735%0.34647%0.474SS..PPolyproline II helixtrans-65.2141.3-179.8-89.7-174.2123.700112.3V57 D60 G65V57-E63 WeakPolarHBondContact CB-OE1 3.46Å; V57-E63 HydrophobicContact CG1-CG 4.12Å; V57-E63 WeakPolarHBondContact CG1-OE1 3.35Å; D60-E63 PolarHBondContact O-N 2.87Å; E63-G65 PolarHBondContact O-N 2.96Å
64P79.5Confident78.1Confident21 Ų2180.5 Ų80.514%0.13644%0.441CS..PPolyproline II helixtrans-63.7121.7172.625.3-25000107.1V151 G153P64-V151 HydrophobicContact CB-CB 4.16Å; P64-V151 HydrophobicContact CB-CG2 4.45Å; P64-V151 HydrophobicContact CG-CB 3.84Å; P64-V151 HydrophobicContact CG-CG1 4.45Å; P64-V151 HydrophobicContact CG-CG2 3.8Å; P64-G153 WeakPolarHBondContact CB-O 3.5Å; P64-G153 WeakPolarHBondContact CG-O 3.37Å
65G87.3Confident79.5Confident29 Ų2976.7 Ų76.730%0.29943%0.426SS..PPolyproline II helixtrans-56.6159.2-179.800000111.9E63 R152E63-G65 PolarHBondContact O-N 2.96Å; G65-R152 WeakPolarHBondContact O-CG 3.49Å; G65-R152 PolarHBondContact O-N 2.69Å
66P94.9Very high81.1Confident14 Ų1471.1 Ų71.19%0.09139%0.394CS..BIsolated β-bridgetrans-63.5146.3-172.124.6-34000112.8W73 Y124 W148 R152P66-W73 HydrophobicContact CB-CE3 4.36Å; P66-W73 HydrophobicContact CB-CZ3 3.9Å; P66-W73 HydrophobicContact CG-CZ3 4Å; P66-Y124 HydrophobicContact CG-CD2 4.45Å; P66-Y124 HydrophobicContact CG-CE2 3.61Å; P66-W148 HydrophobicContact CB-CB 4.07Å; P66-W148 HydrophobicContact CB-CD2 3.34Å; P66-W148 HydrophobicContact CB-CE3 3.73Å; P66-W148 HydrophobicContact CB-CG 3.49Å; P66-W148 VanDerWaalsContact CB-CG 3.49Å; P66-W148 HydrophobicContact CB-CZ2 4.3Å; P66-W148 HydrophobicContact CB-CZ3 4.35Å; P66-W148 HydrophobicContact CG-CD2 3.89Å; P66-W148 HydrophobicContact CG-CE3 4.42Å; P66-W148 HydrophobicContact CG-CG 4.23Å; P66-W148 HydrophobicContact CG-CH2 4.48Å; P66-W148 HydrophobicContact CG-CZ2 3.96Å; P66-R152 PolarHBondContact O-NE 3.19Å; P66-R152 PolarHBondContact O-NH1 3.23Å; P66-R152 PolarHBondContact O-NH2 2.86Å
67Q95.7Very high82.6Confident85 Ų8567.2 Ų67.240%0.39737%0.366SS..PPolyproline II helixtrans-101.1126.5178.6176.459.251.900109.6F150 R152Q67-F150 HydrophobicContact CB-CB 3.94Å; Q67-F150 HydrophobicContact CG-CB 4.34Å; Q67-F150 PolarHBondContact N-O 2.86Å; Q67-R152 HydrophobicContact CB-CG 4.34Å
68R96.2Very high84.5Confident106 Ų10664.9 Ų64.940%0.435%0.352SS..PPolyproline II helixtrans-73.2138.5173.4-166.4-174.6173.4-85.82.6109.6V70 E71 G72 W73R68-V70 PolarHBondContact NH1-O 3.39Å; R68-E71 PolarHBondContact NH2-O 3.45Å; R68-E71 VanDerWaalsContact NH2-O 3.09Å; R68-G72 WeakPolarHBondContact CG-O 3.1Å; R68-W73 HydrophobicContact CB-CD2 4.15Å; R68-W73 HydrophobicContact CB-CE3 4.28Å; R68-W73 HydrophobicContact CB-CH2 3.95Å; R68-W73 HydrophobicContact CB-CZ2 3.78Å; R68-W73 HydrophobicContact CB-CZ3 4.18Å; R68-W73 HydrophobicContact CG-CD2 4Å; R68-W73 HydrophobicContact CG-CG 4.3Å; R68-W73 HydrophobicContact CG-CZ2 3.98Å
69S96.5Very high86.4Confident25 Ų2558.4 Ų58.418%0.17533%0.328CS..  trans-76.9-178.8169.2-63.70000111G72 I74S69-G72 WeakPolarHBondContact CA-O 3.27Å; S69-G72 WeakPolarHBondContact CB-O 3.22Å; S69-G72 PolarHBondContact N-O 2.9Å; S69-I74 WeakPolarHBondContact OG-CD1 3.46Å; S69-I74 WeakPolarHBondContact OG-CG1 3.39Å
70V95.1Very high88.4Confident133 Ų13350.8 Ų50.881%0.80629%0.293SS*.SBendtrans-60.2-47.3179.5-179.50000110.8R68R68-V70 PolarHBondContact NH1-O 3.39Å
71E94.6Very high90.5Very high146 Ų14648.2 Ų48.268%0.68228%0.278SS*.SBendtrans-107.3-19.9-172.3-61.2-169.4146.300114R68R68-E71 PolarHBondContact NH2-O 3.45Å; R68-E71 VanDerWaalsContact NH2-O 3.09Å
72G96.9Very high92.5Very high0 Ų049.1 Ų49.10%026%0.257CS..SBendtrans-165-155.3-179.500000115.1R68 S69 E120 Y121R68-G72 WeakPolarHBondContact CG-O 3.1Å; S69-G72 WeakPolarHBondContact CA-O 3.27Å; S69-G72 WeakPolarHBondContact CB-O 3.22Å; S69-G72 PolarHBondContact N-O 2.9Å; G72-E120 VanDerWaalsContact CA-OE1 3.28Å; G72-E120 WeakPolarHBondContact CA-OE1 3.33Å; G72-E120 PolarHBondContact N-OE1 2.99Å; G72-Y121 CarbonylContact C-O 3.52Å; G72-Y121 WeakPolarHBondContact CA-O 3.33Å
73W98.2Very high94.2Very high29 Ų2950.2 Ų50.211%0.1126%0.259CS..EExtended strand (participates in β ladder)trans-115.8120.5177.9-66.983.7000109.1P66 R68 E120 Y121 Y124 A127 W148P66-W73 HydrophobicContact CB-CE3 4.36Å; P66-W73 HydrophobicContact CB-CZ3 3.9Å; P66-W73 HydrophobicContact CG-CZ3 4Å; R68-W73 HydrophobicContact CB-CD2 4.15Å; R68-W73 HydrophobicContact CB-CE3 4.28Å; R68-W73 HydrophobicContact CB-CH2 3.95Å; R68-W73 HydrophobicContact CB-CZ2 3.78Å; R68-W73 HydrophobicContact CB-CZ3 4.18Å; R68-W73 HydrophobicContact CG-CD2 4Å; R68-W73 HydrophobicContact CG-CG 4.3Å; R68-W73 HydrophobicContact CG-CZ2 3.98Å; W73-E120 WeakPolarHBondContact O-CA 3.44Å; W73-Y121 PolarHBondContact N-O 2.95Å; W73-Y121 PolarHBondContact O-N 2.79Å; W73-Y124 HydrophobicContact CD2-CD2 4Å; W73-Y124 AromaticContact CE3-CD2 3.77Å; W73-Y124 HydrophobicContact CE3-CD2 3.77Å; W73-Y124 AromaticContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CE2 4.36Å; W73-Y124 HydrophobicContact CH2-CG 4.4Å; W73-Y124 AromaticContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CG 4.24Å; W73-Y124 AromaticContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CE2 4.14Å; W73-A127 HydrophobicContact CB-CB 3.78Å; W73-W148 HydrophobicContact CB-CZ3 4.25Å; W73-W148 HydrophobicContact CE3-CE3 4.41Å; W73-W148 HydrophobicContact CE3-CH2 4.43Å; W73-W148 AromaticContact CE3-CZ3 3.9Å; W73-W148 HydrophobicContact CE3-CZ3 3.9Å
74I98.5Very high95.7Very high25 Ų2546.9 Ų46.913%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-103.4126.3-172.5-55.1-173.6000110S69 L118 V119 E120 C149 F150S69-I74 WeakPolarHBondContact OG-CD1 3.46Å; S69-I74 WeakPolarHBondContact OG-CG1 3.39Å; I74-L118 HydrophobicContact CG2-CB 3.98Å; I74-L118 HydrophobicContact CG2-CD2 4.4Å; I74-V119 WeakPolarHBondContact CA-O 3.45Å; I74-E120 HydrophobicContact CD1-CG 4.46Å; I74-E120 HydrophobicContact CG1-CB 3.98Å; I74-E120 HydrophobicContact CG1-CG 3.84Å; I74-C149 HydrophobicContact CB-CB 3.9Å; I74-C149 HydrophobicContact CG2-CB 3.61Å; I74-C149 WeakPolarHBondContact O-CB 3.23Å; I74-C149 PolarHBondContact O-N 2.97Å; I74-F150 HydrophobicContact CB-CE2 4.47Å; I74-F150 HydrophobicContact CD1-CE2 4.14Å
75L98.5Very high96.6Very high0 Ų048.9 Ų48.90%026%0.257CS..EExtended strand (participates in β ladder)trans-94.8139168.9-59.1-177.1000110F93 L118 V119 Y121 A127 A130 M131 V146 D147 W148L75-F93 HydrophobicContact CD1-CE1 4.45Å; L75-L118 WeakPolarHBondContact O-CA 3.45Å; L75-V119 PolarHBondContact N-O 3.03Å; L75-V119 PolarHBondContact O-N 2.98Å; L75-Y121 HydrophobicContact CD1-CD2 4.32Å; L75-Y121 HydrophobicContact CD1-CE2 3.94Å; L75-A127 HydrophobicContact CD1-CB 4.46Å; L75-A127 WeakPolarHBondContact CD1-O 3.41Å; L75-A127 HydrophobicContact CD2-CB 4.12Å; L75-A127 HydrophobicContact CG-CB 4.24Å; L75-A130 HydrophobicContact CD1-CB 3.86Å; L75-M131 HydrophobicContact CD1-CB 4.5Å; L75-M131 HydrophobicContact CD2-CB 4.4Å; L75-M131 HydrophobicContact CD2-CE 3.51Å; L75-V146 HydrophobicContact CB-CG1 4.16Å; L75-V146 HydrophobicContact CD1-CG1 3.8Å; L75-V146 HydrophobicContact CG-CG1 4.43Å; L75-D147 CarbonylContact C-O 3.55Å; L75-D147 WeakPolarHBondContact CA-O 3.38Å; L75-W148 HydrophobicContact CD2-CD2 4.3Å; L75-W148 HydrophobicContact CD2-CE3 3.7Å; L75-W148 HydrophobicContact CD2-CZ3 3.86Å
76F98.4Very high97.1Very high50 Ų5053 Ų5322%0.21927%0.268CS..EExtended strand (participates in β ladder)trans-99.5117.7170.5-174-114000108.3Y54 T78 Y116 L118 D147 C149Y54-F76 HydrophobicContact CD1-CE1 4.3Å; Y54-F76 AromaticContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CD1-CZ 3.94Å; Y54-F76 HydrophobicContact CE1-CZ 4.23Å; F76-T78 HydrophobicContact CD1-CG2 3.57Å; F76-T78 HydrophobicContact CE1-CG2 3.08Å; F76-T78 HydrophobicContact CZ-CG2 3.72Å; F76-Y116 AromaticContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CE2 4.37Å; F76-Y116 HydrophobicContact CE2-CG 4.03Å; F76-Y116 HydrophobicContact CZ-CD2 4.3Å; F76-Y116 HydrophobicContact CZ-CG 4.24Å; F76-L118 HydrophobicContact CD2-CD2 3.52Å; F76-L118 HydrophobicContact CE2-CD2 4.19Å; F76-D147 PolarHBondContact N-O 3.44Å; F76-D147 PolarHBondContact O-N 2.77Å; F76-C149 HydrophobicContact CB-CB 3.98Å
77V98.2Very high97.2Very high0 Ų059 Ų590%030%0.295CS..EExtended strand (participates in β ladder)trans-110.9127.3-177.8-175.20000108.3V80 F93 Y116 T117 V119 I144 S145 V146V77-V80 HydrophobicContact CG1-CG2 4.05Å; V77-F93 HydrophobicContact CB-CZ 4.43Å; V77-F93 HydrophobicContact CG1-CZ 4.1Å; V77-F93 HydrophobicContact CG2-CE1 3.87Å; V77-F93 HydrophobicContact CG2-CE2 4.38Å; V77-F93 HydrophobicContact CG2-CZ 3.48Å; V77-F93 VanDerWaalsContact CG2-CZ 3.48Å; V77-Y116 CarbonylContact O-C 3.6Å; V77-Y116 WeakPolarHBondContact O-CA 3.33Å; V77-Y116 VanDerWaalsContact O-CB 3.27Å; V77-Y116 WeakPolarHBondContact O-CB 3.3Å; V77-T117 HydrophobicContact CB-CG2 3.63Å; V77-T117 HydrophobicContact CG1-CG2 4.12Å; V77-T117 HydrophobicContact CG2-CG2 4.04Å; V77-T117 PolarHBondContact N-O 3.26Å; V77-T117 PolarHBondContact O-N 3.28Å; V77-V119 HydrophobicContact CG2-CG2 4.22Å; V77-I144 HydrophobicContact CG1-CB 4.2Å; V77-I144 HydrophobicContact CG1-CD1 4.16Å; V77-S145 CarbonylContact C-O 3.55Å; V77-S145 VanDerWaalsContact CA-O 3.3Å; V77-S145 WeakPolarHBondContact CA-O 3.3Å; V77-V146 HydrophobicContact CG1-CG2 4.23Å; V77-V146 HydrophobicContact CG2-CG1 4.31Å; V77-V146 HydrophobicContact CG2-CG2 4.31Å
78T98Very high97.3Very high24 Ų2457.7 Ų57.715%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-122.6163.7178.465.40000111.3Y54 F76 V80 I144 S145Y54-T78 HydrophobicContact CG-CG2 4.43Å; F76-T78 HydrophobicContact CD1-CG2 3.57Å; F76-T78 HydrophobicContact CE1-CG2 3.08Å; F76-T78 HydrophobicContact CZ-CG2 3.72Å; T78-V80 VanDerWaalsContact C-N 3.32Å; T78-I144 CarbonylContact O-C 3.48Å; T78-I144 VanDerWaalsContact O-CA 3.28Å; T78-I144 WeakPolarHBondContact O-CA 3.37Å; T78-S145 PolarHBondContact N-O 2.97Å; T78-S145 PolarHBondContact O-N 2.75Å
79G96.5Very high97.4Very high24 Ų2452.6 Ų52.625%0.24727%0.271CS..  trans76.622-176.500000112.9G115 Q142G79-G115 PolarHBondContact N-O 2.87Å; G79-Q142 VanDerWaalsContact C-NE2 3.28Å; G79-Q142 PolarHBondContact O-NE2 3.5Å
80V97.7Very high97.5Very high4 Ų455.6 Ų55.62%0.02428%0.283CS..  trans-67.1133.7175.6-175.70000109.6V77 T78 A84 I89 L113 G115 T117 L139V77-V80 HydrophobicContact CG1-CG2 4.05Å; T78-V80 VanDerWaalsContact C-N 3.32Å; V80-A84 HydrophobicContact CG1-CB 3.88Å; V80-I89 HydrophobicContact CG1-CD1 4.04Å; V80-L113 HydrophobicContact CG1-CD1 3.69Å; V80-G115 PolarHBondContact N-O 2.87Å; V80-G115 VanDerWaalsContact N-O 3.12Å; V80-T117 HydrophobicContact CG2-CG2 4.01Å; V80-L139 HydrophobicContact CG1-CD2 4.02Å
81H97.8Very high97.6Very high42 Ų4254.3 Ų54.319%0.19427%0.271CS..  trans-59.8140.6177.8-174.1-92.2000111.3E83 A84 M140H81-E83 PolarHBondContact ND1-N 3.12Å; H81-E83 PolarHBondContact O-N 2.91Å; H81-A84 HydrophobicContact CB-CB 4.28Å; H81-A84 WeakPolarHBondContact O-CB 3.42Å; H81-A84 PolarHBondContact O-N 3.39Å; H81-M140 HydrophobicContact CB-CB 3.94Å; H81-M140 HydrophobicContact CB-CG 4.45Å; H81-M140 HydrophobicContact CB-SD 4.03Å
82E97.1Very high97.7Very high110 Ų11050.4 Ų50.451%0.51425%0.252SS..THydrogen-bonded Turntrans-66.8-22.1-170.472.7-176.1148.500114.2Y112 L113E82-Y112 HydrophobicContact CG-CD1 4.29Å; E82-L113 PolarHBondContact O-N 3.11Å
83E97Very high97.7Very high113 Ų11350.4 Ų50.453%0.52825%0.252SS..THydrogen-bonded Turntrans-103.36.2176-50.5-167155.300113.8H81 Y112H81-E83 PolarHBondContact ND1-N 3.12Å; H81-E83 PolarHBondContact O-N 2.91Å; E83-Y112 HydrophobicContact CG-CD1 4.11Å; E83-Y112 HydrophobicContact CG-CE1 3.88Å
84A97.7Very high97.7Very high5 Ų550.9 Ų50.94%0.04126%0.262CS..  trans-63154.3174.800000110.9V80 H81 L113 L139 M140V80-A84 HydrophobicContact CG1-CB 3.88Å; H81-A84 HydrophobicContact CB-CB 4.28Å; H81-A84 WeakPolarHBondContact O-CB 3.42Å; H81-A84 PolarHBondContact O-N 3.39Å; A84-L113 HydrophobicContact CB-CD1 3.87Å; A84-L113 VanDerWaalsContact O-CD1 3.23Å; A84-L113 WeakPolarHBondContact O-CD1 3.48Å; A84-L113 WeakPolarHBondContact O-CG 3.35Å; A84-L139 HydrophobicContact CB-CD2 4.28Å; A84-M140 VanDerWaalsContact CA-SD 3.55Å; A84-M140 HydrophobicContact CB-SD 3.73Å
85T97.5Very high97.7Very high63 Ų6356.1 Ų56.139%0.38729%0.286SS..  trans-111.5167.3177.7690000111E87 D88 I89T85-E87 PolarHBondContact O-N 2.94Å; T85-E87 PolarHBondContact OG1-N 3.49Å; T85-D88 WeakPolarHBondContact CB-OD2 3.47Å; T85-D88 PolarHBondContact N-OD2 2.81Å; T85-D88 PolarHBondContact O-N 2.91Å; T85-D88 PolarHBondContact OG1-N 3.25Å; T85-D88 PolarHBondContact OG1-OD2 3.48Å; T85-I89 PolarHBondContact O-N 3.27Å
86E97.4Very high97.6Very high116 Ų11659 Ų5954%0.54230%0.297SS..Hα-helixtrans-61.9-32172.2-168.6178.2152.100111.8I89 H90 I102E86-I89 PolarHBondContact O-N 3.17Å; E86-H90 WeakPolarHBondContact O-CB 3.44Å; E86-H90 PolarHBondContact O-N 2.93Å; E86-I102 HydrophobicContact CG-CB 4.38Å; E86-I102 HydrophobicContact CG-CD1 4.33Å; E86-I102 HydrophobicContact CG-CG2 4.19Å
87E97.7Very high97.6Very high139 Ų13957.5 Ų57.565%0.6530%0.296SS*.Hα-helixtrans-62.5-45.2174.4-173.5176.117500111.2T85 I89 H90 D91T85-E87 PolarHBondContact O-N 2.94Å; T85-E87 PolarHBondContact OG1-N 3.49Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 2.94Å; E87-H90 PolarHBondContact O-N 3.36Å; E87-D91 WeakPolarHBondContact O-CB 3.39Å; E87-D91 PolarHBondContact O-N 3.38Å
88D97.5Very high97.5Very high57 Ų5763 Ų6331%0.30532%0.322SS..Hα-helixtrans-60.8-38.8177.3-59.3-65.7000112.4T85 K92T85-D88 WeakPolarHBondContact CB-OD2 3.47Å; T85-D88 PolarHBondContact N-OD2 2.81Å; T85-D88 PolarHBondContact O-N 2.91Å; T85-D88 PolarHBondContact OG1-N 3.25Å; T85-D88 PolarHBondContact OG1-OD2 3.48Å; D88-K92 WeakPolarHBondContact O-CB 3.36Å; D88-K92 PolarHBondContact O-N 3.48Å
89I98.1Very high97.5Very high0 Ų063.2 Ų63.20%032%0.322CS..Hα-helixtrans-69.4-48175.1-60.4-54.3000110.4V80 T85 E86 E87 D91 K92 F93 I102 L104 T117 V119 L139V80-I89 HydrophobicContact CG1-CD1 4.04Å; T85-I89 PolarHBondContact O-N 3.27Å; E86-I89 PolarHBondContact O-N 3.17Å; E87-I89 VanDerWaalsContact C-N 3.3Å; E87-I89 PolarHBondContact O-N 2.94Å; I89-D91 PolarHBondContact O-N 3.19Å; I89-K92 PolarHBondContact O-N 3.33Å; I89-F93 HydrophobicContact CG2-CD2 3.91Å; I89-F93 HydrophobicContact CG2-CE2 4.3Å; I89-F93 WeakPolarHBondContact O-CB 3.21Å; I89-F93 VanDerWaalsContact O-CD2 3.27Å; I89-F93 WeakPolarHBondContact O-CD2 3.28Å; I89-F93 PolarHBondContact O-N 3.38Å; I89-I102 HydrophobicContact CG2-CD1 4.27Å; I89-I102 HydrophobicContact CG2-CG2 4.06Å; I89-L104 HydrophobicContact CB-CD1 4.41Å; I89-L104 HydrophobicContact CD1-CD1 4.37Å; I89-L104 HydrophobicContact CG1-CD1 3.4Å; I89-T117 HydrophobicContact CD1-CG2 4.18Å; I89-T117 HydrophobicContact CG1-CG2 4.31Å; I89-T117 HydrophobicContact CG2-CG2 4.1Å; I89-V119 HydrophobicContact CG2-CG2 3.95Å; I89-L139 HydrophobicContact CD1-CD2 3.58Å
90H98.3Very high97.6Very high88 Ų8866.4 Ų66.441%0.40733%0.329SS..Hα-helixtrans-57.5-49.7179.8-179.9-80.4000110.9E86 E87 K92 F93 A94 I102E86-H90 WeakPolarHBondContact O-CB 3.44Å; E86-H90 PolarHBondContact O-N 2.93Å; E87-H90 PolarHBondContact O-N 3.36Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 3.02Å; H90-F93 PolarHBondContact O-N 3.24Å; H90-A94 WeakPolarHBondContact O-CB 3.46Å; H90-A94 PolarHBondContact O-N 3.28Å; H90-I102 HydrophobicContact CB-CD1 3.96Å
91D97.3Very high97.6Very high105 Ų10569.6 Ų69.656%0.56135%0.346SS*.Hα-helixtrans-60.4-39.4-178.9-76.2-4.1000112.6E87 I89E87-D91 WeakPolarHBondContact O-CB 3.39Å; E87-D91 PolarHBondContact O-N 3.38Å; I89-D91 PolarHBondContact O-N 3.19Å
92K97Very high97.7Very high64 Ų6468.4 Ų68.428%0.27834%0.341SS..Hα-helixtrans-72.3-35.8179.2-163.778-178.6-155.80112.6D88 I89 H90 L134 D138 L139D88-K92 WeakPolarHBondContact O-CB 3.36Å; D88-K92 PolarHBondContact O-N 3.48Å; I89-K92 PolarHBondContact O-N 3.33Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 3.02Å; K92-L134 HydrophobicContact CD-CD2 4.26Å; K92-L134 HydrophobicContact CG-CD1 4.36Å; K92-L134 HydrophobicContact CG-CD2 3.77Å; K92-D138 PolarHBondContact NZ-O 2.69Å; K92-L139 HydrophobicContact CB-CD1 4.29Å; K92-L139 HydrophobicContact CD-CD1 4.47Å; K92-L139 HydrophobicContact CG-CD1 4.3Å
93F98.3Very high97.7Very high0 Ų067.2 Ų67.20%034%0.335CS..Hα-helixtrans-95.1-22.6-173.5-80.4-100.5000113.4L75 V77 I89 H90 E95 Y96 I99 V119 Y121 A130 L134 I144 V146L75-F93 HydrophobicContact CD1-CE1 4.45Å; V77-F93 HydrophobicContact CB-CZ 4.43Å; V77-F93 HydrophobicContact CG1-CZ 4.1Å; V77-F93 HydrophobicContact CG2-CE1 3.87Å; V77-F93 HydrophobicContact CG2-CE2 4.38Å; V77-F93 HydrophobicContact CG2-CZ 3.48Å; V77-F93 VanDerWaalsContact CG2-CZ 3.48Å; I89-F93 HydrophobicContact CG2-CD2 3.91Å; I89-F93 HydrophobicContact CG2-CE2 4.3Å; I89-F93 WeakPolarHBondContact O-CB 3.21Å; I89-F93 VanDerWaalsContact O-CD2 3.27Å; I89-F93 WeakPolarHBondContact O-CD2 3.28Å; I89-F93 PolarHBondContact O-N 3.38Å; H90-F93 PolarHBondContact O-N 3.24Å; F93-E95 PolarHBondContact O-N 3.47Å; F93-Y96 PolarHBondContact O-N 2.92Å; F93-I99 HydrophobicContact CB-CD1 3.79Å; F93-V119 HydrophobicContact CB-CG1 4.28Å; F93-V119 HydrophobicContact CD1-CB 4.22Å; F93-V119 HydrophobicContact CD1-CG1 3.92Å; F93-V119 HydrophobicContact CD1-CG2 4.07Å; F93-V119 HydrophobicContact CE1-CB 4.48Å; F93-V119 HydrophobicContact CE1-CG2 4.2Å; F93-V119 HydrophobicContact CG-CG1 4.26Å; F93-V119 HydrophobicContact CG-CG2 4.27Å; F93-Y121 WeakPolarHBondContact CB-OH 3.36Å; F93-Y121 HydrophobicContact CD1-CE2 4.41Å; F93-Y121 WeakPolarHBondContact CD1-OH 3.48Å; F93-Y121 PolarHBondContact O-OH 3.18Å; F93-A130 HydrophobicContact CD1-CB 4.42Å; F93-L134 HydrophobicContact CB-CD1 4.49Å; F93-L134 HydrophobicContact CD1-CD1 3.54Å; F93-L134 HydrophobicContact CD2-CD1 3.78Å; F93-L134 HydrophobicContact CE1-CD1 3.52Å; F93-L134 HydrophobicContact CE2-CD1 3.77Å; F93-L134 HydrophobicContact CG-CD1 3.67Å; F93-L134 HydrophobicContact CZ-CD1 3.63Å; F93-I144 HydrophobicContact CE2-CD1 4.22Å; F93-I144 HydrophobicContact CZ-CD1 4.26Å; F93-V146 HydrophobicContact CE1-CG1 4.39Å; F93-V146 HydrophobicContact CZ-CG2 4.09Å
94A98Very high97.7Very high40 Ų4063.4 Ų63.433%0.33132%0.318SS..G310 helixtrans-67.5-18.4-174.900000113.6H90 Y96 I99H90-A94 WeakPolarHBondContact O-CB 3.46Å; H90-A94 PolarHBondContact O-N 3.28Å; A94-Y96 PolarHBondContact O-N 3.44Å; A94-I99 HydrophobicContact CB-CD1 4.19Å
95E97.1Very high97.7Very high135 Ų13566.3 Ų66.363%0.63133%0.333SS*.G310 helixtrans-67.1-17.9177.770.2178.5163.600113.8F93F93-E95 PolarHBondContact O-N 3.47Å
96Y98.1Very high97.7Very high59 Ų5967.8 Ų67.823%0.23134%0.338CS..G310 helixtrans-99.4-13.8-174.4-60-83.2000114.7F93 A94 E126 A129 A130 L134F93-Y96 PolarHBondContact O-N 2.92Å; A94-Y96 PolarHBondContact O-N 3.44Å; Y96-E126 WeakPolarHBondContact O-CB 3.18Å; Y96-E126 WeakPolarHBondContact O-CG 3.18Å; Y96-A129 VanDerWaalsContact CD1-C 3.47Å; Y96-A129 HydrophobicContact CD1-CB 4.07Å; Y96-A129 WeakPolarHBondContact CD1-O 3.27Å; Y96-A129 WeakPolarHBondContact CE1-O 3.08Å; Y96-A130 HydrophobicContact CD1-CB 4.33Å; Y96-A130 HydrophobicContact CD2-CB 3.87Å; Y96-A130 VanDerWaalsContact CG-CA 3.41Å; Y96-A130 HydrophobicContact CG-CB 3.7Å; Y96-L134 HydrophobicContact CD2-CD1 3.96Å; Y96-L134 HydrophobicContact CD2-CG 4.3Å; Y96-L134 HydrophobicContact CE2-CD1 3.52Å; Y96-L134 HydrophobicContact CE2-CD2 3.79Å; Y96-L134 HydrophobicContact CE2-CG 3.45Å; Y96-L134 VanDerWaalsContact CE2-CG 3.45Å
97G97.3Very high97.7Very high19 Ų1963.7 Ų63.720%0.19632%0.32CS..SBendtrans163.3178.9-176.800000113.9I99 E126G97-I99 PolarHBondContact O-N 3.3Å; G97-E126 WeakPolarHBondContact CA-OE1 3.43Å
98E97.2Very high97.6Very high115 Ų11568.6 Ų68.654%0.53733%0.332SS..  trans-75.3115.2176.1-171.1-177.1141.700110.6K100 E126E98-K100 PolarHBondContact O-N 2.94Å; E98-K100 IonicContact OE1-NZ 3.86Å; E98-K100 PolarHBondContact OE1-NZ 2.8Å; E98-K100 IonicContact OE2-NZ 2.72Å; E98-E126 PolarHBondContact N-OE1 3.18Å
99I98.2Very high97.5Very high30 Ų3076.1 Ų76.115%0.15436%0.356CS..EExtended strand (participates in β ladder)trans-76.9119.5176-58.5173.2000108.9F93 A94 G97 I102 V119 Y121F93-I99 HydrophobicContact CB-CD1 3.79Å; A94-I99 HydrophobicContact CB-CD1 4.19Å; G97-I99 PolarHBondContact O-N 3.3Å; I99-I102 HydrophobicContact CD1-CD1 4.21Å; I99-I102 HydrophobicContact CG2-CD1 3.97Å; I99-I102 HydrophobicContact CG2-CG1 3.52Å; I99-V119 HydrophobicContact CG1-CG1 4.44Å; I99-V119 HydrophobicContact CG2-CG1 4.21Å; I99-Y121 HydrophobicContact CG1-CD1 4.45Å; I99-Y121 HydrophobicContact CG1-CE1 3.83Å
100K98.1Very high97.4Very high91 Ų9179.5 Ų79.540%0.39638%0.377SS..EExtended strand (participates in β ladder)trans-84-36.5176.6-64.7-61.9178.8-173.70112.4E98 E120 E122E98-K100 PolarHBondContact O-N 2.94Å; E98-K100 IonicContact OE1-NZ 3.86Å; E98-K100 PolarHBondContact OE1-NZ 2.8Å; E98-K100 IonicContact OE2-NZ 2.72Å; K100-E120 HydrophobicContact CB-CB 4.43Å; K100-E120 HydrophobicContact CB-CG 4.21Å; K100-E120 PolarHBondContact N-O 3.31Å; K100-E122 WeakPolarHBondContact CE-OE2 3.19Å; K100-E122 HydrophobicContact CG-CB 4.42Å; K100-E122 IonicContact NZ-OE2 2.72Å; K100-E122 PolarHBondContact NZ-OE2 3.22Å
101N97.9Very high97.3Very high70 Ų7077.6 Ų77.637%0.37438%0.382SS..EExtended strand (participates in β ladder)trans-156.9148.4-177.7-158.7-5.8000111.8H103 E120N101-H103 PolarHBondContact ND2-NE2 3.4Å; N101-H103 PolarHBondContact OD1-CD2 3.12Å; N101-E120 HydrophobicContact CB-CB 4.07Å; N101-E120 PolarHBondContact O-N 3.44Å
102I98.3Very high97.3Very high18 Ų1877.8 Ų77.89%0.09238%0.375CS..EExtended strand (participates in β ladder)trans-132.4125.1173.2-55.8179.4000108.8E86 I89 H90 I99 L118E86-I102 HydrophobicContact CG-CB 4.38Å; E86-I102 HydrophobicContact CG-CD1 4.33Å; E86-I102 HydrophobicContact CG-CG2 4.19Å; I89-I102 HydrophobicContact CG2-CD1 4.27Å; I89-I102 HydrophobicContact CG2-CG2 4.06Å; H90-I102 HydrophobicContact CB-CD1 3.96Å; I99-I102 HydrophobicContact CD1-CD1 4.21Å; I99-I102 HydrophobicContact CG2-CD1 3.97Å; I99-I102 HydrophobicContact CG2-CG1 3.52Å; I102-L118 CarbonylContact C-O 3.57Å; I102-L118 VanDerWaalsContact CA-O 3.3Å; I102-L118 WeakPolarHBondContact CA-O 3.34Å
103H98.1Very high97.3Very high85 Ų8575.5 Ų75.539%0.39437%0.366SS..EExtended strand (participates in β ladder)trans-112.298.3171.3-69.9-175.7000111.3N101 N105 T117 L118N101-H103 PolarHBondContact ND2-NE2 3.4Å; N101-H103 PolarHBondContact OD1-CD2 3.12Å; H103-N105 PolarHBondContact O-N 2.85Å; H103-T117 VanDerWaalsContact O-CA 3.28Å; H103-T117 WeakPolarHBondContact O-CA 3.36Å; H103-T117 PolarHBondContact O-OG1 3.43Å; H103-L118 HydrophobicContact CB-CB 4.07Å; H103-L118 HydrophobicContact CB-CD1 4.37Å; H103-L118 HydrophobicContact CB-CG 4.29Å; H103-L118 PolarHBondContact N-O 3.12Å; H103-L118 PolarHBondContact O-N 3.34Å; H103-L118 VanDerWaalsContact O-N 3.14Å
104L97.4Very high97.2Very high32 Ų3277.9 Ų77.917%0.16838%0.376CS..EExtended strand (participates in β ladder)trans-100.280.4-179.8-167.3112000110.9I89 L113I89-L104 HydrophobicContact CB-CD1 4.41Å; I89-L104 HydrophobicContact CD1-CD1 4.37Å; I89-L104 HydrophobicContact CG1-CD1 3.4Å; L104-L113 HydrophobicContact CD1-CD1 3.78Å; L104-L113 HydrophobicContact CD2-CD1 3.74Å; L104-L113 HydrophobicContact CD2-CD2 3.23Å; L104-L113 HydrophobicContact CD2-CG 4.12Å; L104-L113 HydrophobicContact CG-CD1 3.76Å; L104-L113 HydrophobicContact CG-CD2 3.8Å; L104-L113 HydrophobicContact CG-CG 4.42Å
105N97.5Very high97.2Very high66 Ų6676.8 Ų76.835%0.35337%0.368SS..EExtended strand (participates in β ladder)trans-74.9140.1-169.2-70.9-22.3000113.4H103 K114 Y116H103-N105 PolarHBondContact O-N 2.85Å; N105-K114 VanDerWaalsContact O-CB 3.3Å; N105-K114 WeakPolarHBondContact O-CB 3.42Å; N105-K114 PolarHBondContact O-N 2.92Å; N105-Y116 HydrophobicContact CB-CE2 4.37Å; N105-Y116 PolarHBondContact ND2-OH 3.22Å
106L97.4Very high97.2Very high94 Ų9472.9 Ų72.949%0.49235%0.348SS..EExtended strand (participates in β ladder)trans-90.6146.8178.8-54.1-177.9000113.2R108 Y112 L113L106-R108 PolarHBondContact O-N 3.07Å; L106-Y112 CarbonylContact C-O 3.5Å; L106-Y112 WeakPolarHBondContact CA-O 3.02Å; L106-L113 HydrophobicContact CD2-CD2 3.44Å; L106-L113 VanDerWaalsContact CD2-CD2 3.44Å
107D96.6Very high97.3Very high30 Ų3070.1 Ų70.116%0.1634%0.337CS..PPolyproline II helixtrans-66.6117.3161.9-173.9-70.5000109.8R109 T110 G111 Y112 K114D107-R109 PolarHBondContact O-N 2.82Å; D107-R109 WeakPolarHBondContact OD1-CA 3.49Å; D107-R109 WeakPolarHBondContact OD1-CB 3.32Å; D107-R109 PolarHBondContact OD1-N 2.96Å; D107-T110 PolarHBondContact O-N 2.83Å; D107-T110 PolarHBondContact OD1-N 2.92Å; D107-T110 VanDerWaalsContact OD1-N 3.13Å; D107-G111 WeakPolarHBondContact O-CA 3.31Å; D107-G111 PolarHBondContact O-N 3.09Å; D107-Y112 PolarHBondContact N-O 2.73Å; D107-K114 HydrophobicContact CB-CD 4.01Å; D107-K114 IonicContact OD2-NZ 3.17Å; D107-K114 PolarHBondContact OD2-NZ 2.93Å
108R96.3Very high97.3Very high243 Ų24371 Ų7192%0.91734%0.337SS*.THydrogen-bonded Turntrans-65.9-12.6-172.2-57.6-58.9-63.6-139-2.3114.3L106L106-R108 PolarHBondContact O-N 3.07Å
109R95.8Very high97.4Very high214 Ų21465.5 Ų65.581%0.80831%0.312SS*.THydrogen-bonded Turntrans-99.9-44.6179.6179.3178.561.4126.13111.9D107D107-R109 PolarHBondContact O-N 2.82Å; D107-R109 WeakPolarHBondContact OD1-CA 3.49Å; D107-R109 WeakPolarHBondContact OD1-CB 3.32Å; D107-R109 PolarHBondContact OD1-N 2.96Å
110T96.2Very high97.4Very high71 Ų7165 Ų6544%0.43631%0.309SS..THydrogen-bonded Turntrans-93.3-26.5-174.365.40000113.1D107 Y112D107-T110 PolarHBondContact O-N 2.83Å; D107-T110 PolarHBondContact OD1-N 2.92Å; D107-T110 VanDerWaalsContact OD1-N 3.13Å; T110-Y112 VanDerWaalsContact C-N 3.27Å; T110-Y112 PolarHBondContact OG1-N 2.9Å
111G95.6Very high97.4Very high49 Ų4960.6 Ų60.651%0.50529%0.29SS..SBendtrans84.2-7.4-174.700000114.7D107D107-G111 WeakPolarHBondContact O-CA 3.31Å; D107-G111 PolarHBondContact O-N 3.09Å
112Y96.5Very high97.4Very high108 Ų10861.7 Ų61.742%0.42429%0.292SS..SBendtrans-76.5173.2171.4-70.2-76.4000111.6E82 E83 L106 D107 T110E82-Y112 HydrophobicContact CG-CD1 4.29Å; E83-Y112 HydrophobicContact CG-CD1 4.11Å; E83-Y112 HydrophobicContact CG-CE1 3.88Å; L106-Y112 CarbonylContact C-O 3.5Å; L106-Y112 WeakPolarHBondContact CA-O 3.02Å; D107-Y112 PolarHBondContact N-O 2.73Å; T110-Y112 VanDerWaalsContact C-N 3.27Å; T110-Y112 PolarHBondContact OG1-N 2.9Å
113L97.1Very high97.4Very high16 Ų1663.5 Ų63.58%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-63.3147.2174.8-58.5-162.2000111.8V80 E82 A84 L104 L106 G115V80-L113 HydrophobicContact CG1-CD1 3.69Å; E82-L113 PolarHBondContact O-N 3.11Å; A84-L113 HydrophobicContact CB-CD1 3.87Å; A84-L113 VanDerWaalsContact O-CD1 3.23Å; A84-L113 WeakPolarHBondContact O-CD1 3.48Å; A84-L113 WeakPolarHBondContact O-CG 3.35Å; L104-L113 HydrophobicContact CD1-CD1 3.78Å; L104-L113 HydrophobicContact CD2-CD1 3.74Å; L104-L113 HydrophobicContact CD2-CD2 3.23Å; L104-L113 HydrophobicContact CD2-CG 4.12Å; L104-L113 HydrophobicContact CG-CD1 3.76Å; L104-L113 HydrophobicContact CG-CD2 3.8Å; L104-L113 HydrophobicContact CG-CG 4.42Å; L106-L113 HydrophobicContact CD2-CD2 3.44Å; L106-L113 VanDerWaalsContact CD2-CD2 3.44Å; L113-G115 PolarHBondContact O-N 2.62Å
114K97Very high97.4Very high51 Ų5163.6 Ų63.622%0.22230%0.302CS..EExtended strand (participates in β ladder)trans-72.6-14.1177.6-166.357.9-172.9174.40113E52 Y54 N105 D107 Y116E52-K114 IonicContact OE1-NZ 3.04Å; E52-K114 PolarHBondContact OE1-NZ 3.44Å; E52-K114 WeakPolarHBondContact OE2-CE 3.33Å; E52-K114 IonicContact OE2-NZ 2.9Å; E52-K114 PolarHBondContact OE2-NZ 3.49Å; Y54-K114 PolarHBondContact OH-O 2.99Å; N105-K114 VanDerWaalsContact O-CB 3.3Å; N105-K114 WeakPolarHBondContact O-CB 3.42Å; N105-K114 PolarHBondContact O-N 2.92Å; D107-K114 HydrophobicContact CB-CD 4.01Å; D107-K114 IonicContact OD2-NZ 3.17Å; D107-K114 PolarHBondContact OD2-NZ 2.93Å; K114-Y116 HydrophobicContact CB-CD1 4.06Å; K114-Y116 HydrophobicContact CB-CE1 3.85Å; K114-Y116 HydrophobicContact CG-CD1 3.93Å; K114-Y116 HydrophobicContact CG-CE1 3.5Å
115G97Very high97.4Very high16 Ų1669.9 Ų69.917%0.16533%0.328CS..EExtended strand (participates in β ladder)trans98.67.317900000114.9G79 V80 L113G79-G115 PolarHBondContact N-O 2.87Å; V80-G115 PolarHBondContact N-O 2.87Å; V80-G115 VanDerWaalsContact N-O 3.12Å; L113-G115 PolarHBondContact O-N 2.62Å
116Y98.4Very high97.4Very high54 Ų5468.7 Ų68.721%0.21232%0.32CS..EExtended strand (participates in β ladder)trans-138.2157.1173.272.8-87.8000111.6Y54 F76 V77 N105 K114Y54-Y116 AromaticContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CD1 3.97Å; Y54-Y116 HydrophobicContact CE1-CE1 4.5Å; Y54-Y116 HydrophobicContact CE1-CG 4.47Å; Y54-Y116 AromaticContact CZ-CD1 3.9Å; Y54-Y116 VanDerWaalsContact OH-CD1 3.26Å; Y54-Y116 WeakPolarHBondContact OH-CD1 3.41Å; F76-Y116 AromaticContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CD2 3.64Å; F76-Y116 HydrophobicContact CE2-CE2 4.37Å; F76-Y116 HydrophobicContact CE2-CG 4.03Å; F76-Y116 HydrophobicContact CZ-CD2 4.3Å; F76-Y116 HydrophobicContact CZ-CG 4.24Å; V77-Y116 CarbonylContact O-C 3.6Å; V77-Y116 WeakPolarHBondContact O-CA 3.33Å; V77-Y116 VanDerWaalsContact O-CB 3.27Å; V77-Y116 WeakPolarHBondContact O-CB 3.3Å; N105-Y116 HydrophobicContact CB-CE2 4.37Å; N105-Y116 PolarHBondContact ND2-OH 3.22Å; K114-Y116 HydrophobicContact CB-CD1 4.06Å; K114-Y116 HydrophobicContact CB-CE1 3.85Å; K114-Y116 HydrophobicContact CG-CD1 3.93Å; K114-Y116 HydrophobicContact CG-CE1 3.5Å
117T98.4Very high97.5Very high0 Ų064.2 Ų64.20%030%0.297CS..EExtended strand (participates in β ladder)trans-140.6154.3171.3-172.80000111.1V77 V80 I89 H103 V119V77-T117 HydrophobicContact CB-CG2 3.63Å; V77-T117 HydrophobicContact CG1-CG2 4.12Å; V77-T117 HydrophobicContact CG2-CG2 4.04Å; V77-T117 PolarHBondContact N-O 3.26Å; V77-T117 PolarHBondContact O-N 3.28Å; V80-T117 HydrophobicContact CG2-CG2 4.01Å; I89-T117 HydrophobicContact CD1-CG2 4.18Å; I89-T117 HydrophobicContact CG1-CG2 4.31Å; I89-T117 HydrophobicContact CG2-CG2 4.1Å; H103-T117 VanDerWaalsContact O-CA 3.28Å; H103-T117 WeakPolarHBondContact O-CA 3.36Å; H103-T117 PolarHBondContact O-OG1 3.43Å; T117-V119 HydrophobicContact CG2-CG2 4.21Å
118L98.7Very high97.5Very high37 Ų3765.7 Ų65.719%0.19430%0.303CS..EExtended strand (participates in β ladder)trans-105.4129.9169.3-52.5-179.4000108.7I74 L75 F76 I102 H103I74-L118 HydrophobicContact CG2-CB 3.98Å; I74-L118 HydrophobicContact CG2-CD2 4.4Å; L75-L118 WeakPolarHBondContact O-CA 3.45Å; F76-L118 HydrophobicContact CD2-CD2 3.52Å; F76-L118 HydrophobicContact CE2-CD2 4.19Å; I102-L118 CarbonylContact C-O 3.57Å; I102-L118 VanDerWaalsContact CA-O 3.3Å; I102-L118 WeakPolarHBondContact CA-O 3.34Å; H103-L118 HydrophobicContact CB-CB 4.07Å; H103-L118 HydrophobicContact CB-CD1 4.37Å; H103-L118 HydrophobicContact CB-CG 4.29Å; H103-L118 PolarHBondContact N-O 3.12Å; H103-L118 PolarHBondContact O-N 3.34Å; H103-L118 VanDerWaalsContact O-N 3.14Å
119V98.6Very high97.6Very high0 Ų056 Ų560%027%0.274CS..EExtended strand (participates in β ladder)trans-121.6122.5176.5-177.10000108.7I74 L75 V77 I89 F93 I99 T117 Y121I74-V119 WeakPolarHBondContact CA-O 3.45Å; L75-V119 PolarHBondContact N-O 3.03Å; L75-V119 PolarHBondContact O-N 2.98Å; V77-V119 HydrophobicContact CG2-CG2 4.22Å; I89-V119 HydrophobicContact CG2-CG2 3.95Å; F93-V119 HydrophobicContact CB-CG1 4.28Å; F93-V119 HydrophobicContact CD1-CB 4.22Å; F93-V119 HydrophobicContact CD1-CG1 3.92Å; F93-V119 HydrophobicContact CD1-CG2 4.07Å; F93-V119 HydrophobicContact CE1-CB 4.48Å; F93-V119 HydrophobicContact CE1-CG2 4.2Å; F93-V119 HydrophobicContact CG-CG1 4.26Å; F93-V119 HydrophobicContact CG-CG2 4.27Å; I99-V119 HydrophobicContact CG1-CG1 4.44Å; I99-V119 HydrophobicContact CG2-CG1 4.21Å; T117-V119 HydrophobicContact CG2-CG2 4.21Å; V119-Y121 HydrophobicContact CG1-CD2 4.47Å; V119-Y121 HydrophobicContact CG1-CE2 3.95Å
120E98.7Very high97.7Very high19 Ų1945.8 Ų45.89%0.08924%0.236CC..EExtended strand (participates in β ladder)trans-106.6127.1179.9-173.5166.8-156.900111.4G72 W73 I74 K100 N101G72-E120 VanDerWaalsContact CA-OE1 3.28Å; G72-E120 WeakPolarHBondContact CA-OE1 3.33Å; G72-E120 PolarHBondContact N-OE1 2.99Å; W73-E120 WeakPolarHBondContact O-CA 3.44Å; I74-E120 HydrophobicContact CD1-CG 4.46Å; I74-E120 HydrophobicContact CG1-CB 3.98Å; I74-E120 HydrophobicContact CG1-CG 3.84Å; K100-E120 HydrophobicContact CB-CB 4.43Å; K100-E120 HydrophobicContact CB-CG 4.21Å; K100-E120 PolarHBondContact N-O 3.31Å; N101-E120 HydrophobicContact CB-CB 4.07Å; N101-E120 PolarHBondContact O-N 3.44Å
121Y98.8Very high97.8Very high0 Ų043.4 Ų43.40%022%0.22CC..EExtended strand (participates in β ladder)trans-108.8159170.3-68.6-77.9000111.5G72 W73 L75 F93 I99 V119 E126 A127 A130G72-Y121 CarbonylContact C-O 3.52Å; G72-Y121 WeakPolarHBondContact CA-O 3.33Å; W73-Y121 PolarHBondContact N-O 2.95Å; W73-Y121 PolarHBondContact O-N 2.79Å; L75-Y121 HydrophobicContact CD1-CD2 4.32Å; L75-Y121 HydrophobicContact CD1-CE2 3.94Å; F93-Y121 WeakPolarHBondContact CB-OH 3.36Å; F93-Y121 HydrophobicContact CD1-CE2 4.41Å; F93-Y121 WeakPolarHBondContact CD1-OH 3.48Å; F93-Y121 PolarHBondContact O-OH 3.18Å; I99-Y121 HydrophobicContact CG1-CD1 4.45Å; I99-Y121 HydrophobicContact CG1-CE1 3.83Å; V119-Y121 HydrophobicContact CG1-CD2 4.47Å; V119-Y121 HydrophobicContact CG1-CE2 3.95Å; Y121-E126 HydrophobicContact CD1-CB 3.92Å; Y121-E126 HydrophobicContact CG-CB 3.97Å; Y121-A127 HydrophobicContact CD2-CB 3.84Å; Y121-A127 HydrophobicContact CG-CB 4.43Å; Y121-A130 HydrophobicContact CE2-CB 3.56Å; Y121-A130 WeakPolarHBondContact OH-CB 3.35Å
122E97.4Very high97.9Very high92 Ų9247.7 Ų47.743%0.4323%0.227SC..SBendtrans-66.1-46.5175.5-167.7166.4158.300112.1K100K100-E122 WeakPolarHBondContact CE-OE2 3.19Å; K100-E122 HydrophobicContact CG-CB 4.42Å; K100-E122 IonicContact NZ-OE2 2.72Å; K100-E122 PolarHBondContact NZ-OE2 3.22Å
123T97.6Very high98Very high56 Ų5643.6 Ų43.634%0.34422%0.217SC..SBendtrans-114.7152.9-170.475.80000113.4K125 E126 A127T123-K125 PolarHBondContact O-N 3.32Å; T123-E126 WeakPolarHBondContact CB-OE2 3.38Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.47Å; T123-E126 PolarHBondContact N-OE2 3.44Å; T123-E126 PolarHBondContact O-N 2.76Å; T123-E126 WeakPolarHBondContact OG1-CG 3.42Å; T123-E126 PolarHBondContact OG1-N 3.38Å; T123-E126 PolarHBondContact OG1-OE2 3.28Å; T123-A127 PolarHBondContact O-N 2.82Å
124Y97.7Very high98Very high87 Ų8742.9 Ų42.934%0.34121%0.214SC..Hα-helixtrans-56.5-38.8174176.6-97.7000111.8P66 W73 A127 Q128 W148P66-Y124 HydrophobicContact CG-CD2 4.45Å; P66-Y124 HydrophobicContact CG-CE2 3.61Å; W73-Y124 HydrophobicContact CD2-CD2 4Å; W73-Y124 AromaticContact CE3-CD2 3.77Å; W73-Y124 HydrophobicContact CE3-CD2 3.77Å; W73-Y124 AromaticContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CD2 3.61Å; W73-Y124 HydrophobicContact CH2-CE2 4.36Å; W73-Y124 HydrophobicContact CH2-CG 4.4Å; W73-Y124 AromaticContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CD2 3.85Å; W73-Y124 HydrophobicContact CZ2-CG 4.24Å; W73-Y124 AromaticContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CD2 3.58Å; W73-Y124 HydrophobicContact CZ3-CE2 4.14Å; Y124-A127 PolarHBondContact O-N 2.79Å; Y124-Q128 HydrophobicContact CE1-CB 4.18Å; Y124-Q128 HydrophobicContact CE1-CG 4.43Å; Y124-Q128 VanDerWaalsContact O-CB 3.29Å; Y124-Q128 WeakPolarHBondContact O-CB 3Å; Y124-Q128 PolarHBondContact O-N 2.73Å; Y124-Q128 PolarHBondContact OH-OE1 3.12Å; Y124-W148 AromaticContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CZ2 4.22Å; Y124-W148 AromaticContact CE2-CH2 3.58Å; Y124-W148 HydrophobicContact CE2-CH2 3.58Å; Y124-W148 AromaticContact CE2-CZ2 3.54Å; Y124-W148 HydrophobicContact CE2-CZ2 3.54Å
125K98.1Very high98.1Very high164 Ų16443.7 Ų43.771%0.71322%0.22SC*.Hα-helixtrans-66.8-42-174.7-173.3-174.7174.7-169.10111.5T123 A129T123-K125 PolarHBondContact O-N 3.32Å; K125-A129 VanDerWaalsContact O-CB 3.27Å; K125-A129 WeakPolarHBondContact O-CB 3.28Å; K125-A129 PolarHBondContact O-N 3.31Å
126E98.4Very high98Very high41 Ų4145.4 Ų45.419%0.19224%0.238CC..Hα-helixtrans-65.3-49177.1-66.7162.3134.600110.6Y96 G97 E98 Y121 T123 Q128 A129 A130Y96-E126 WeakPolarHBondContact O-CB 3.18Å; Y96-E126 WeakPolarHBondContact O-CG 3.18Å; G97-E126 WeakPolarHBondContact CA-OE1 3.43Å; E98-E126 PolarHBondContact N-OE1 3.18Å; Y121-E126 HydrophobicContact CD1-CB 3.92Å; Y121-E126 HydrophobicContact CG-CB 3.97Å; T123-E126 WeakPolarHBondContact CB-OE2 3.38Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.47Å; T123-E126 PolarHBondContact N-OE2 3.44Å; T123-E126 PolarHBondContact O-N 2.76Å; T123-E126 WeakPolarHBondContact OG1-CG 3.42Å; T123-E126 PolarHBondContact OG1-N 3.38Å; T123-E126 PolarHBondContact OG1-OE2 3.28Å; E126-Q128 PolarHBondContact O-N 2.72Å; E126-A129 PolarHBondContact O-N 3.14Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.91Å
127A98.1Very high98Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-62.1-42.5178.400000112.7W73 L75 Y121 T123 Y124 A130 M131 W148W73-A127 HydrophobicContact CB-CB 3.78Å; L75-A127 HydrophobicContact CD1-CB 4.46Å; L75-A127 WeakPolarHBondContact CD1-O 3.41Å; L75-A127 HydrophobicContact CD2-CB 4.12Å; L75-A127 HydrophobicContact CG-CB 4.24Å; Y121-A127 HydrophobicContact CD2-CB 3.84Å; Y121-A127 HydrophobicContact CG-CB 4.43Å; T123-A127 PolarHBondContact O-N 2.82Å; Y124-A127 PolarHBondContact O-N 2.79Å; A127-A130 PolarHBondContact O-N 2.93Å; A127-M131 WeakPolarHBondContact O-CB 3.39Å; A127-M131 PolarHBondContact O-N 2.84Å; A127-W148 HydrophobicContact CB-CH2 3.83Å; A127-W148 HydrophobicContact CB-CZ3 3.6Å
128Q97.9Very high97.9Very high62 Ų6251 Ų5129%0.2927%0.269SS..Hα-helixtrans-65.3-42176.8-167.9-169.9-94.800111.1Y124 E126 M131 E132 W148Y124-Q128 HydrophobicContact CE1-CB 4.18Å; Y124-Q128 HydrophobicContact CE1-CG 4.43Å; Y124-Q128 VanDerWaalsContact O-CB 3.29Å; Y124-Q128 WeakPolarHBondContact O-CB 3Å; Y124-Q128 PolarHBondContact O-N 2.73Å; Y124-Q128 PolarHBondContact OH-OE1 3.12Å; E126-Q128 PolarHBondContact O-N 2.72Å; Q128-M131 PolarHBondContact O-N 3.42Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.38Å; Q128-E132 PolarHBondContact NE2-OE1 3.33Å; Q128-E132 WeakPolarHBondContact O-CG 3.38Å; Q128-E132 PolarHBondContact O-N 3.36Å; Q128-W148 HydrophobicContact CB-CH2 4.13Å; Q128-W148 HydrophobicContact CB-CZ2 4.05Å; Q128-W148 HydrophobicContact CG-CZ2 4.31Å
129A98.2Very high97.8Very high38 Ų3849.7 Ų49.731%0.31426%0.262SS..Hα-helixtrans-63.1-43.3177.300000111.8Y96 K125 E126 E132 G133Y96-A129 VanDerWaalsContact CD1-C 3.47Å; Y96-A129 HydrophobicContact CD1-CB 4.07Å; Y96-A129 WeakPolarHBondContact CD1-O 3.27Å; Y96-A129 WeakPolarHBondContact CE1-O 3.08Å; K125-A129 VanDerWaalsContact O-CB 3.27Å; K125-A129 WeakPolarHBondContact O-CB 3.28Å; K125-A129 PolarHBondContact O-N 3.31Å; E126-A129 PolarHBondContact O-N 3.14Å; A129-E132 PolarHBondContact O-N 3.29Å; A129-G133 PolarHBondContact O-N 3.01Å
130A98.4Very high97.6Very high0 Ų054 Ų540%028%0.283CS..Hα-helixtrans-60.6-45.417500000111.9L75 F93 Y96 Y121 E126 A127 G133 L134L75-A130 HydrophobicContact CD1-CB 3.86Å; F93-A130 HydrophobicContact CD1-CB 4.42Å; Y96-A130 HydrophobicContact CD1-CB 4.33Å; Y96-A130 HydrophobicContact CD2-CB 3.87Å; Y96-A130 VanDerWaalsContact CG-CA 3.41Å; Y96-A130 HydrophobicContact CG-CB 3.7Å; Y121-A130 HydrophobicContact CE2-CB 3.56Å; Y121-A130 WeakPolarHBondContact OH-CB 3.35Å; E126-A130 WeakPolarHBondContact O-CB 3.46Å; E126-A130 PolarHBondContact O-N 2.91Å; A127-A130 PolarHBondContact O-N 2.93Å; A130-G133 PolarHBondContact O-N 3.32Å; A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.27Å; A130-L134 PolarHBondContact O-N 3.2Å
131M97.7Very high97.5Very high21 Ų2156 Ų5610%0.10331%0.309CS..Hα-helixtrans-58.8-51.5176178.7-175.2-6100112L75 A127 Q128 G133 N135 V146 D147 W148L75-M131 HydrophobicContact CD1-CB 4.5Å; L75-M131 HydrophobicContact CD2-CB 4.4Å; L75-M131 HydrophobicContact CD2-CE 3.51Å; A127-M131 WeakPolarHBondContact O-CB 3.39Å; A127-M131 PolarHBondContact O-N 2.84Å; Q128-M131 PolarHBondContact O-N 3.42Å; M131-G133 VanDerWaalsContact C-N 3.3Å; M131-G133 PolarHBondContact O-N 3.17Å; M131-N135 WeakPolarHBondContact O-CB 3.26Å; M131-N135 PolarHBondContact O-N 3.05Å; M131-V146 HydrophobicContact CB-CG1 4.21Å; M131-V146 HydrophobicContact CG-CG1 4.39Å; M131-V146 WeakPolarHBondContact CG-O 3.07Å; M131-D147 VanDerWaalsContact CE-C 3.43Å; M131-W148 HydrophobicContact CE-CB 4.25Å; M131-W148 VanDerWaalsContact CE-CD1 3.48Å; M131-W148 HydrophobicContact CE-CD2 3.37Å; M131-W148 HydrophobicContact CE-CE3 4.03Å; M131-W148 HydrophobicContact CE-CG 3.46Å; M131-W148 VanDerWaalsContact CE-CG 3.46Å; M131-W148 HydrophobicContact CE-CZ2 4.03Å; M131-W148 VanDerWaalsContact CE-N 3.29Å
132E97.4Very high97.3Very high140 Ų14059.6 Ų59.665%0.65433%0.326SS*.Hα-helixtrans-64.3-34.6-179.3-71172.7-166.800112.4Q128 A129Q128-E132 WeakPolarHBondContact CG-OE1 3.38Å; Q128-E132 PolarHBondContact NE2-OE1 3.33Å; Q128-E132 WeakPolarHBondContact O-CG 3.38Å; Q128-E132 PolarHBondContact O-N 3.36Å; A129-E132 PolarHBondContact O-N 3.29Å
133G97.7Very high97.3Very high21 Ų2159.3 Ų59.322%0.21633%0.332CS..Hα-helixtrans-79.1-37.2-179.600000114.1A129 A130 M131 Q137A129-G133 PolarHBondContact O-N 3.01Å; A130-G133 PolarHBondContact O-N 3.32Å; M131-G133 VanDerWaalsContact C-N 3.3Å; M131-G133 PolarHBondContact O-N 3.17Å; G133-Q137 WeakPolarHBondContact O-CG 3.2Å; G133-Q137 PolarHBondContact O-NE2 3.28Å; G133-Q137 VanDerWaalsContact O-NE2 3.15Å
134L98.2Very high97.4Very high2 Ų256.7 Ų56.71%0.0132%0.316CS..Hα-helixtrans-105-17.9-169.4-63.3176.3000114.9K92 F93 Y96 A130 G136 Q137 I144 V146K92-L134 HydrophobicContact CD-CD2 4.26Å; K92-L134 HydrophobicContact CG-CD1 4.36Å; K92-L134 HydrophobicContact CG-CD2 3.77Å; F93-L134 HydrophobicContact CB-CD1 4.49Å; F93-L134 HydrophobicContact CD1-CD1 3.54Å; F93-L134 HydrophobicContact CD2-CD1 3.78Å; F93-L134 HydrophobicContact CE1-CD1 3.52Å; F93-L134 HydrophobicContact CE2-CD1 3.77Å; F93-L134 HydrophobicContact CG-CD1 3.67Å; F93-L134 HydrophobicContact CZ-CD1 3.63Å; Y96-L134 HydrophobicContact CD2-CD1 3.96Å; Y96-L134 HydrophobicContact CD2-CG 4.3Å; Y96-L134 HydrophobicContact CE2-CD1 3.52Å; Y96-L134 HydrophobicContact CE2-CD2 3.79Å; Y96-L134 HydrophobicContact CE2-CG 3.45Å; Y96-L134 VanDerWaalsContact CE2-CG 3.45Å; A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.27Å; A130-L134 PolarHBondContact O-N 3.2Å; L134-G136 PolarHBondContact O-N 3.22Å; L134-Q137 HydrophobicContact CD2-CG 4.43Å; L134-Q137 VanDerWaalsContact O-CB 3.31Å; L134-Q137 WeakPolarHBondContact O-CB 3.35Å; L134-Q137 WeakPolarHBondContact O-CG 3.04Å; L134-Q137 PolarHBondContact O-N 3.25Å; L134-I144 HydrophobicContact CB-CD1 4.48Å; L134-V146 HydrophobicContact CB-CG2 4.02Å
135N97.8Very high97.4Very high67 Ų6755 Ų5536%0.35832%0.316SS..THydrogen-bonded Turntrans-64.2121.7178.7-167.813.9000110.9M131 Q137 S145 V146M131-N135 WeakPolarHBondContact O-CB 3.26Å; M131-N135 PolarHBondContact O-N 3.05Å; N135-Q137 VanDerWaalsContact C-N 3.31Å; N135-S145 WeakPolarHBondContact OD1-CA 3.28Å; N135-V146 HydrophobicContact CB-CB 4.09Å; N135-V146 PolarHBondContact ND2-O 3.39Å; N135-V146 PolarHBondContact OD1-N 2.83Å
136G96.9Very high97.4Very high52 Ų5247.1 Ų47.154%0.53628%0.283SS..THydrogen-bonded Turntrans81.41.8-175.100000114.8L134 I144L134-G136 PolarHBondContact O-N 3.22Å; G136-I144 VanDerWaalsContact CA-O 3.26Å; G136-I144 WeakPolarHBondContact CA-O 3.3Å; G136-I144 PolarHBondContact N-O 3.12Å
137Q97.4Very high97.3Very high94 Ų9448 Ų4844%0.43929%0.288SS..  trans-76.4164175.6-64.2-61.8-16.300112.2G133 L134 N135 P143 I144G133-Q137 WeakPolarHBondContact O-CG 3.2Å; G133-Q137 PolarHBondContact O-NE2 3.28Å; G133-Q137 VanDerWaalsContact O-NE2 3.15Å; L134-Q137 HydrophobicContact CD2-CG 4.43Å; L134-Q137 VanDerWaalsContact O-CB 3.31Å; L134-Q137 WeakPolarHBondContact O-CB 3.35Å; L134-Q137 WeakPolarHBondContact O-CG 3.04Å; L134-Q137 PolarHBondContact O-N 3.25Å; N135-Q137 VanDerWaalsContact C-N 3.31Å; Q137-P143 CarbonylContact O-C 3.57Å; Q137-P143 VanDerWaalsContact O-CA 3.32Å; Q137-P143 WeakPolarHBondContact O-CA 3.49Å; Q137-I144 WeakPolarHBondContact O-CG1 3.25Å; Q137-I144 PolarHBondContact O-N 2.86Å
138D96.8Very high97.3Very high78 Ų7850.5 Ų50.542%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-86.7136.3177.5-171.4-90.5000112.8K92 G141 Q142K92-D138 PolarHBondContact NZ-O 2.69Å; D138-G141 WeakPolarHBondContact OD1-CA 3.32Å; D138-G141 PolarHBondContact OD1-N 3.16Å; D138-G141 WeakPolarHBondContact OD2-CA 3.37Å; D138-G141 PolarHBondContact OD2-N 3.21Å; D138-Q142 PolarHBondContact OD2-N 3.46Å; D138-Q142 VanDerWaalsContact OD2-N 3.12Å
139L95.6Very high97.2Very high10 Ų1049 Ų495%0.05229%0.294CS..EExtended strand (participates in β ladder)trans-129.5113166.3-171.781.7000108.6V80 A84 I89 K92 G141 Q142 I144V80-L139 HydrophobicContact CG1-CD2 4.02Å; A84-L139 HydrophobicContact CB-CD2 4.28Å; I89-L139 HydrophobicContact CD1-CD2 3.58Å; K92-L139 HydrophobicContact CB-CD1 4.29Å; K92-L139 HydrophobicContact CD-CD1 4.47Å; K92-L139 HydrophobicContact CG-CD1 4.3Å; L139-G141 VanDerWaalsContact C-N 3.28Å; L139-G141 PolarHBondContact O-N 2.9Å; L139-Q142 PolarHBondContact N-O 3.05Å; L139-Q142 PolarHBondContact O-N 3.04Å; L139-Q142 VanDerWaalsContact O-N 3.12Å; L139-I144 HydrophobicContact CB-CG2 3.76Å; L139-I144 HydrophobicContact CD2-CG2 4.25Å
140M95.6Very high97.1Very high89 Ų8952 Ų5244%0.43830%0.3SS..THydrogen-bonded Turntrans5536.8-178.1-57-179.673.600114.4H81 A84 Q142H81-M140 HydrophobicContact CB-CB 3.94Å; H81-M140 HydrophobicContact CB-CG 4.45Å; H81-M140 HydrophobicContact CB-SD 4.03Å; A84-M140 VanDerWaalsContact CA-SD 3.55Å; A84-M140 HydrophobicContact CB-SD 3.73Å; M140-Q142 VanDerWaalsContact C-N 3.31Å
141G95.3Very high96.9Very high62 Ų6254.7 Ų54.764%0.63932%0.316SS*.THydrogen-bonded Turntrans82.46.4-179.600000114.4D138 L139D138-G141 WeakPolarHBondContact OD1-CA 3.32Å; D138-G141 PolarHBondContact OD1-N 3.16Å; D138-G141 WeakPolarHBondContact OD2-CA 3.37Å; D138-G141 PolarHBondContact OD2-N 3.21Å; L139-G141 VanDerWaalsContact C-N 3.28Å; L139-G141 PolarHBondContact O-N 2.9Å
142Q95.9Very high96.5Very high75 Ų7561.2 Ų61.235%0.3534%0.34SS..EExtended strand (participates in β ladder)trans-120.5130.7177.3-168.3171.1-54.600110.6G79 D138 L139 M140G79-Q142 VanDerWaalsContact C-NE2 3.28Å; G79-Q142 PolarHBondContact O-NE2 3.5Å; D138-Q142 PolarHBondContact OD2-N 3.46Å; D138-Q142 VanDerWaalsContact OD2-N 3.12Å; L139-Q142 PolarHBondContact N-O 3.05Å; L139-Q142 PolarHBondContact O-N 3.04Å; L139-Q142 VanDerWaalsContact O-N 3.12Å; M140-Q142 VanDerWaalsContact C-N 3.31Å
143P97.5Very high95.9Very high87 Ų8756 Ų5657%0.56532%0.323SS*.EExtended strand (participates in β ladder)trans-69.7133.7175.928.3-33.9000110.8Q137Q137-P143 CarbonylContact O-C 3.57Å; Q137-P143 VanDerWaalsContact O-CA 3.32Å; Q137-P143 WeakPolarHBondContact O-CA 3.49Å
144I98.1Very high95Very high0 Ų059.8 Ų59.80%034%0.344CS..  trans-99.6148.3173.159.1167.7000110.9V77 T78 F93 L134 G136 Q137 L139 V146V77-I144 HydrophobicContact CG1-CB 4.2Å; V77-I144 HydrophobicContact CG1-CD1 4.16Å; T78-I144 CarbonylContact O-C 3.48Å; T78-I144 VanDerWaalsContact O-CA 3.28Å; T78-I144 WeakPolarHBondContact O-CA 3.37Å; F93-I144 HydrophobicContact CE2-CD1 4.22Å; F93-I144 HydrophobicContact CZ-CD1 4.26Å; L134-I144 HydrophobicContact CB-CD1 4.48Å; G136-I144 VanDerWaalsContact CA-O 3.26Å; G136-I144 WeakPolarHBondContact CA-O 3.3Å; G136-I144 PolarHBondContact N-O 3.12Å; Q137-I144 WeakPolarHBondContact O-CG1 3.25Å; Q137-I144 PolarHBondContact O-N 2.86Å; L139-I144 HydrophobicContact CB-CG2 3.76Å; L139-I144 HydrophobicContact CD2-CG2 4.25Å; I144-V146 HydrophobicContact CD1-CG2 4.1Å; I144-V146 HydrophobicContact CG1-CG2 4.47Å
145S98.1Very high93.9Very high51 Ų5163.6 Ų63.636%0.35737%0.369SS..EExtended strand (participates in β ladder)trans-109.2136.4168.1-58.70000109.3V77 T78 N135V77-S145 CarbonylContact C-O 3.55Å; V77-S145 VanDerWaalsContact CA-O 3.3Å; V77-S145 WeakPolarHBondContact CA-O 3.3Å; T78-S145 PolarHBondContact N-O 2.97Å; T78-S145 PolarHBondContact O-N 2.75Å; N135-S145 WeakPolarHBondContact OD1-CA 3.28Å
146V98Very high92.4Very high0 Ų067.7 Ų67.70%038%0.384CS..EExtended strand (participates in β ladder)trans-126.3119.4-176.4-174.50000108.7L75 V77 F93 M131 L134 N135 I144L75-V146 HydrophobicContact CB-CG1 4.16Å; L75-V146 HydrophobicContact CD1-CG1 3.8Å; L75-V146 HydrophobicContact CG-CG1 4.43Å; V77-V146 HydrophobicContact CG1-CG2 4.23Å; V77-V146 HydrophobicContact CG2-CG1 4.31Å; V77-V146 HydrophobicContact CG2-CG2 4.31Å; F93-V146 HydrophobicContact CE1-CG1 4.39Å; F93-V146 HydrophobicContact CZ-CG2 4.09Å; M131-V146 HydrophobicContact CB-CG1 4.21Å; M131-V146 HydrophobicContact CG-CG1 4.39Å; M131-V146 WeakPolarHBondContact CG-O 3.07Å; L134-V146 HydrophobicContact CB-CG2 4.02Å; N135-V146 HydrophobicContact CB-CB 4.09Å; N135-V146 PolarHBondContact ND2-O 3.39Å; N135-V146 PolarHBondContact OD1-N 2.83Å; I144-V146 HydrophobicContact CD1-CG2 4.1Å; I144-V146 HydrophobicContact CG1-CG2 4.47Å
147D97.4Very high90.7Very high59 Ų5968.2 Ų68.232%0.31639%0.389SS..EExtended strand (participates in β ladder)trans-135.6168.5-177.2-69.2-69.4000111.1L75 F76 M131 C149L75-D147 CarbonylContact C-O 3.55Å; L75-D147 WeakPolarHBondContact CA-O 3.38Å; F76-D147 PolarHBondContact N-O 3.44Å; F76-D147 PolarHBondContact O-N 2.77Å; M131-D147 VanDerWaalsContact CE-C 3.43Å; D147-C149 PolarHBondContact O-N 2.64Å
148W97.2Very high88.7Confident53 Ų5371 Ų7120%0.20140%0.4CS..EExtended strand (participates in β ladder)trans-68.9130.4172.4-65.9111.5000109.6P66 W73 L75 Y124 A127 Q128 M131P66-W148 HydrophobicContact CB-CB 4.07Å; P66-W148 HydrophobicContact CB-CD2 3.34Å; P66-W148 HydrophobicContact CB-CE3 3.73Å; P66-W148 HydrophobicContact CB-CG 3.49Å; P66-W148 VanDerWaalsContact CB-CG 3.49Å; P66-W148 HydrophobicContact CB-CZ2 4.3Å; P66-W148 HydrophobicContact CB-CZ3 4.35Å; P66-W148 HydrophobicContact CG-CD2 3.89Å; P66-W148 HydrophobicContact CG-CE3 4.42Å; P66-W148 HydrophobicContact CG-CG 4.23Å; P66-W148 HydrophobicContact CG-CH2 4.48Å; P66-W148 HydrophobicContact CG-CZ2 3.96Å; W73-W148 HydrophobicContact CB-CZ3 4.25Å; W73-W148 HydrophobicContact CE3-CE3 4.41Å; W73-W148 HydrophobicContact CE3-CH2 4.43Å; W73-W148 AromaticContact CE3-CZ3 3.9Å; W73-W148 HydrophobicContact CE3-CZ3 3.9Å; L75-W148 HydrophobicContact CD2-CD2 4.3Å; L75-W148 HydrophobicContact CD2-CE3 3.7Å; L75-W148 HydrophobicContact CD2-CZ3 3.86Å; Y124-W148 AromaticContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CH2 3.76Å; Y124-W148 HydrophobicContact CD2-CZ2 4.22Å; Y124-W148 AromaticContact CE2-CH2 3.58Å; Y124-W148 HydrophobicContact CE2-CH2 3.58Å; Y124-W148 AromaticContact CE2-CZ2 3.54Å; Y124-W148 HydrophobicContact CE2-CZ2 3.54Å; A127-W148 HydrophobicContact CB-CH2 3.83Å; A127-W148 HydrophobicContact CB-CZ3 3.6Å; Q128-W148 HydrophobicContact CB-CH2 4.13Å; Q128-W148 HydrophobicContact CB-CZ2 4.05Å; Q128-W148 HydrophobicContact CG-CZ2 4.31Å; M131-W148 HydrophobicContact CE-CB 4.25Å; M131-W148 VanDerWaalsContact CE-CD1 3.48Å; M131-W148 HydrophobicContact CE-CD2 3.37Å; M131-W148 HydrophobicContact CE-CE3 4.03Å; M131-W148 HydrophobicContact CE-CG 3.46Å; M131-W148 VanDerWaalsContact CE-CG 3.46Å; M131-W148 HydrophobicContact CE-CZ2 4.03Å; M131-W148 VanDerWaalsContact CE-N 3.29Å
149C96.9Very high86.4Confident30 Ų3078.5 Ų78.520%0.20342%0.422CS..SBendtrans-70.9-34.6-179.2-174.50000112.7I74 F76 D147I74-C149 HydrophobicContact CB-CB 3.9Å; I74-C149 HydrophobicContact CG2-CB 3.61Å; I74-C149 WeakPolarHBondContact O-CB 3.23Å; I74-C149 PolarHBondContact O-N 2.97Å; F76-C149 HydrophobicContact CB-CB 3.98Å; D147-C149 PolarHBondContact O-N 2.64Å
150F95.7Very high84.2Confident100 Ų10089.5 Ų89.544%0.43946%0.463SS..  trans-131.9144.6-179.6-54.7-65.4000110.6Q67 I74Q67-F150 HydrophobicContact CB-CB 3.94Å; Q67-F150 HydrophobicContact CG-CB 4.34Å; Q67-F150 PolarHBondContact N-O 2.86Å; I74-F150 HydrophobicContact CB-CE2 4.47Å; I74-F150 HydrophobicContact CD1-CE2 4.14Å
151V94.3Very high81.7Confident57 Ų5788.5 Ų88.535%0.34548%0.475SS..BIsolated β-bridgetrans-127156.6179.6-65.50000110.4P64 G153P64-V151 HydrophobicContact CB-CB 4.16Å; P64-V151 HydrophobicContact CB-CG2 4.45Å; P64-V151 HydrophobicContact CG-CB 3.84Å; P64-V151 HydrophobicContact CG-CG1 4.45Å; P64-V151 HydrophobicContact CG-CG2 3.8Å; V151-G153 WeakPolarHBondContact CG2-O 3.07Å; V151-G153 PolarHBondContact O-N 2.93Å; V151-G153 VanDerWaalsContact O-N 3.13Å
152R89.2Confident79.1Confident159 Ų15988.6 Ų88.660%0.648%0.476SS*.SBendtrans-68.1-9.8-171.5-75.4-178.4-176.2110.23.1115.6G65 P66 Q67G65-R152 WeakPolarHBondContact O-CG 3.49Å; G65-R152 PolarHBondContact O-N 2.69Å; P66-R152 PolarHBondContact O-NE 3.19Å; P66-R152 PolarHBondContact O-NH1 3.23Å; P66-R152 PolarHBondContact O-NH2 2.86Å; Q67-R152 HydrophobicContact CB-CG 4.34Å
153G83.4Confident76.6Confident29 Ų2994.2 Ų94.230%0.29949%0.494SS..SBendtrans174.9-174-176.300000112.5P64 V151P64-G153 WeakPolarHBondContact CB-O 3.5Å; P64-G153 WeakPolarHBondContact CG-O 3.37Å; V151-G153 WeakPolarHBondContact CG2-O 3.07Å; V151-G153 PolarHBondContact O-N 2.93Å; V151-G153 VanDerWaalsContact O-N 3.13Å
154P80.3Confident74.1Confident102 Ų102101.6 Ų101.666%0.66251%0.511SS*.SBendtrans-66.1150.3176.527.5-33.5000110.6K156P154-K156 PolarHBondContact O-N 2.73Å
155P74.1Confident71.8Confident82 Ų82110 Ų11053%0.53254%0.542SS..  trans-52.2136.8170.3-24.132.9000110.4V57 G157V57-P155 HydrophobicContact CG1-CG 4.36Å; P155-G157 PolarHBondContact O-N 3.13Å
156K67.1Low69.6Low153 Ų153112.1 Ų112.167%0.66556%0.558SS**  trans-68.986.3168.8-67.9-140.3-177.2173.90107.5D62 P154 K158D62-K156 HydrophobicContact CB-CB 4.22Å; D62-K156 VanDerWaalsContact OD1-CB 3.23Å; D62-K156 WeakPolarHBondContact OD1-CB 3.37Å; D62-K156 WeakPolarHBondContact OD1-CD 3.47Å; P154-K156 PolarHBondContact O-N 2.73Å; K156-K158 PolarHBondContact O-N 2.71Å
157G61.4Low67.3Low62 Ų62124 Ų12464%0.63960%0.602SS**  trans-52.6117.6174.400000107.1P155 R159P155-G157 PolarHBondContact O-N 3.13Å; G157-R159 PolarHBondContact O-N 2.88Å
158K53.9Low65.4Low154 Ų154125.9 Ų125.967%0.6762%0.62SS**  trans-53.9101.4159.1-80.6173.6-174.2154.60104K156 R160K156-K158 PolarHBondContact O-N 2.71Å; K158-R160 VanDerWaalsContact C-N 3.26Å; K158-R160 PolarHBondContact O-N 3.05Å
159R49.3Very low63.4Low234 Ų234129.2 Ų129.288%0.88365%0.649SS**  trans-43.2104.8165.5-81.5-176.7149.8148.4-1103.5G157 G161G157-R159 PolarHBondContact O-N 2.88Å; R159-G161 WeakPolarHBondContact O-CA 3.49Å; R159-G161 PolarHBondContact O-N 3.3Å
160R49.7Very low61.5Low242 Ų242134.1 Ų134.191%0.91367%0.672SS**  trans-55.2102.4-176.1-79-175.5103.1167.79.8104K158 G162K158-R160 VanDerWaalsContact C-N 3.26Å; K158-R160 PolarHBondContact O-N 3.05Å; R160-G162 PolarHBondContact O-N 3.13Å
161G42.3Very low59.6Low68 Ų68138.4 Ų138.470%0.70169%0.686SS**  trans-50.3121.5-167.400000105R159 R163R159-G161 WeakPolarHBondContact O-CA 3.49Å; R159-G161 PolarHBondContact O-N 3.3Å; G161-R163 PolarHBondContact O-N 2.92Å; G161-R163 VanDerWaalsContact O-N 3.09Å
162G42.5Very low57.8Low64 Ų64147.9 Ų147.966%0.6672%0.715SS**  trans-38.8124.4-166.100000108.2R160 R164R160-G162 PolarHBondContact O-N 3.13Å; G162-R164 PolarHBondContact O-N 3.44Å
163R43.4Very low56.2Low192 Ų192150.8 Ų150.873%0.72573%0.726SS**  trans-59.981.3177.1-163.9-171.2-170.4160.77.2106.8G161 R165G161-R163 PolarHBondContact O-N 2.92Å; G161-R163 VanDerWaalsContact O-N 3.09Å; R163-R165 HydrophobicContact CG-CG 4Å; R163-R165 VanDerWaalsContact NE-NE 3.12Å; R163-R165 PolarHBondContact O-N 3.39Å
164R44.3Very low55.1Low242 Ų242164.8 Ų164.891%0.91377%0.77SS**  trans-65.674.6158.6-74.6-174.6174.6-171.2-0.4103.2G162 S166G162-R164 PolarHBondContact O-N 3.44Å; R164-S166 PolarHBondContact O-N 3.13Å
165R48.9Very low53.8Low176 Ų176167.9 Ų167.966%0.66478%0.775SS**  trans-61.497.9154.1-91.7178.7171170-6.2103.9R163 R167R163-R165 HydrophobicContact CG-CG 4Å; R163-R165 VanDerWaalsContact NE-NE 3.12Å; R163-R165 PolarHBondContact O-N 3.39Å; R165-R167 PolarHBondContact O-N 3.3Å
166S52.6Low52.8Low97 Ų97172.4 Ų172.468%0.67879%0.788SS**  trans-9.1104.5165.938.10000113.6R164 S168R164-S166 PolarHBondContact O-N 3.13Å; S166-S168 PolarHBondContact O-N 3.21Å
167R50.2Low52Low250 Ų250173.5 Ų173.594%0.94380%0.795SS**  trans-67.587.6140.9-85-178.5171170.7-2.6106.5R165R165-R167 PolarHBondContact O-N 3.3Å
168S57.6Low51.4Low98 Ų98180.1 Ų180.169%0.68580%0.804SS**  trans-123.994.6158.3-60.40000106.9S166S166-S168 PolarHBondContact O-N 3.21Å
169P53.6Low51.3Low123 Ų123181.7 Ų181.780%0.79981%0.813SS**  trans-82.5108.3159.322-8.6000107.2
170D58.6Low51.4Low132 Ų132178.2 Ų178.271%0.70681%0.808SS**  trans-135.4107.2164.8-16034.9000113
171R55.7Low51.5Low191 Ų191173.6 Ų173.672%0.72180%0.8SS**  trans23.3113.9140.8-59.1174.1-176.3-159.40.3117.3
172R55.2Low52.2Low255 Ų255181.8 Ų181.896%0.96281%0.808SS**  -122.8106.5127.7-75.8-170.1176.9-177.2-0.4109.6
173R56.2Low53.1Low220 Ų220191.6 Ų191.683%0.8382%0.82SS**  trans-70.6118.5159.4-78.6177.6167.9-177.9-5.1108.1
174R60.6Low53.9Low323 Ų323191.5 Ų191.5100%1.21983%0.829SS**  -171.80128.4-105.8-172.3-177.6-146.71.3108.9

Retrieved 174 of 174 residues in 96.9 ms (Link to these results)