A0A060X8Y1_ONCMY Loading...

RNA-binding protein 8A

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

AlphaFold DB (B5DGI7), UniProt , Accession A0A060X8Y1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rbm8a, Length 175 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M44.5Very low49.2Very low238 Ų238143.8 Ų143.8100%1.17282%0.82SS**  0112.90-86.7160.2160.400105.3
2A43.1Very low49Very low97 Ų97138.3 Ų138.380%0.80282%0.818SS**  trans-90117171.900000105.9V4A2-V4 PolarHBondContact O-N 2.81Å
3D48.6Very low50.4Low153 Ų153141.6 Ų141.682%0.81882%0.82SS**  trans-67.2117.6174.3-67.4-41.4000108.1L5D3-L5 PolarHBondContact O-N 2.98Å
4V48.7Very low52.2Low122 Ų122142.4 Ų142.474%0.73982%0.82SS**  trans-75.9109172172.80000106.1A2 D6A2-V4 PolarHBondContact O-N 2.81Å; V4-D6 PolarHBondContact O-N 3.11Å; V4-D6 VanDerWaalsContact O-N 3.17Å
5L52.1Low53.7Low147 Ų147146.7 Ų146.777%0.7783%0.826SS**  trans-66.8108.1165.7-75.5164.9000107.8D3 L7D3-L5 PolarHBondContact O-N 2.98Å; L5-L7 PolarHBondContact O-N 3.02Å
6D48.4Very low55.2Low141 Ų141142.7 Ų142.775%0.75482%0.817SS**  trans-67.388.6164.4-79.4-35.8000108.2V4 H8V4-D6 PolarHBondContact O-N 3.11Å; V4-D6 VanDerWaalsContact O-N 3.17Å; D6-H8 PolarHBondContact O-N 3.19Å
7L54.8Low56.6Low160 Ų160145.1 Ų145.184%0.83882%0.822SS**  trans-56.4105.5160.5-90.1140.6000106.6L5 E9L5-L7 PolarHBondContact O-N 3.02Å; L7-E9 PolarHBondContact O-N 3.25Å
8H52.6Low57.9Low180 Ų180141.3 Ų141.383%0.83380%0.799SS**  trans-50.1120.3163.9-79.263.1000106.3D6 A10D6-H8 PolarHBondContact O-N 3.19Å; H8-A10 PolarHBondContact O-N 2.98Å
9E48.6Very low59.2Low185 Ų185139.2 Ų139.286%0.86478%0.782SS**  trans-44.7128.7171.6-74.1179.2143.100107.3L7 G11L7-E9 PolarHBondContact O-N 3.25Å; E9-G11 PolarHBondContact O-N 2.71Å
10A53.6Low60.3Low104 Ų104137 Ų13786%0.8677%0.768SS**  trans-6182.6162.600000106.3H8 G12H8-A10 PolarHBondContact O-N 2.98Å; A10-G12 PolarHBondContact O-N 2.91Å; A10-G12 VanDerWaalsContact O-N 3.15Å
11G45.8Very low61.4Low55 Ų55131.4 Ų131.457%0.56774%0.741SS**  trans-50.6124.2166.400000105.1E9 E13E9-G11 PolarHBondContact O-N 2.71Å; G11-E13 PolarHBondContact O-N 3.14Å
12G47.7Very low63.3Low77 Ų77125.3 Ų125.379%0.79471%0.713SS**  trans-62.670.8-174.700000112A10 D14A10-G12 PolarHBondContact O-N 2.91Å; A10-G12 VanDerWaalsContact O-N 3.15Å; G12-D14 VanDerWaalsContact C-N 3.35Å; G12-D14 PolarHBondContact O-N 3.48Å; G12-D14 VanDerWaalsContact O-N 3.15Å
13E66.4Low65.3Low182 Ų182125.1 Ų125.185%0.8570%0.699SS**  trans-73.497.7162.5-64.7-167.3159.300105.5G11 F15G11-E13 PolarHBondContact O-N 3.14Å; E13-F15 PolarHBondContact O-N 3.01Å
14D75.4Confident67Low153 Ų153121.4 Ų121.482%0.81869%0.685SS**PPolyproline II helixtrans-49.7137.5164.7-71.4-40.5000108.3G12 A16G12-D14 VanDerWaalsContact C-N 3.35Å; G12-D14 PolarHBondContact O-N 3.48Å; G12-D14 VanDerWaalsContact O-N 3.15Å; D14-A16 PolarHBondContact O-N 3.15Å; D14-A16 VanDerWaalsContact O-N 3.11Å
15F75.5Confident68.8Low207 Ų207119.5 Ų119.591%0.90867%0.67SS**PPolyproline II helixtrans-49125.8174.2-69.1-72.4000109E13 M17E13-F15 PolarHBondContact O-N 3.01Å; F15-M17 PolarHBondContact O-N 2.64Å
16A77.2Confident70.3Confident82 Ų82117.6 Ų117.668%0.67866%0.657SS**PPolyproline II helixtrans-57.4129.8176.900000109.2D14 D18D14-A16 PolarHBondContact O-N 3.15Å; D14-A16 VanDerWaalsContact O-N 3.11Å; A16-D18 PolarHBondContact O-N 2.76Å
17M78.7Confident72.2Confident184 Ų184116.6 Ų116.691%0.90665%0.646SS**PPolyproline II helixtrans-59.6122.3174.9-70.6-174.9-167.600109.7F15F15-M17 PolarHBondContact O-N 2.64Å
18D81.3Confident73.7Confident77 Ų77114.9 Ų114.941%0.41264%0.637SS.*  trans-121.682177.4-177.212.8000109.4A16 D20 G21 D22A16-D18 PolarHBondContact O-N 2.76Å; D18-D20 PolarHBondContact O-N 3.31Å; D18-D20 PolarHBondContact OD1-N 3.24Å; D18-G21 PolarHBondContact O-N 3.47Å; D18-G21 PolarHBondContact OD1-N 3.47Å; D18-G21 VanDerWaalsContact OD1-N 3.08Å; D18-G21 WeakPolarHBondContact OD2-CA 3.2Å; D18-D22 WeakPolarHBondContact O-CB 3.28Å; D18-D22 PolarHBondContact O-N 2.75Å
19E82.4Confident75.3Confident100 Ų100112.6 Ų112.647%0.46762%0.624SS.*Hα-helixtrans-57.5-35.6180-66177.7-17200111.9D23 R159E19-D23 WeakPolarHBondContact O-CB 3.31Å; E19-D23 PolarHBondContact O-N 3.03Å; E19-R159 IonicContact OE2-CZ 3.9Å; E19-R159 IonicContact OE2-NH1 3.69Å; E19-R159 IonicContact OE2-NH2 2.77Å; E19-R159 PolarHBondContact OE2-NH2 2.77Å
20D81.2Confident77.1Confident96 Ų96110 Ų11051%0.51361%0.612SS.*Hα-helixtrans-69.8-43.3-179.7-69-35.9000110.6D18 S24 S157D18-D20 PolarHBondContact O-N 3.31Å; D18-D20 PolarHBondContact OD1-N 3.24Å; D20-S24 WeakPolarHBondContact O-CB 3.45Å; D20-S24 PolarHBondContact O-N 2.82Å; D20-S157 PolarHBondContact OD2-OG 2.77Å
21G82.7Confident78.8Confident20 Ų20113.1 Ų113.121%0.20661%0.606CS.*Hα-helixtrans-63.5-44.5174.300000113D18 D23 S24 I25D18-G21 PolarHBondContact O-N 3.47Å; D18-G21 PolarHBondContact OD1-N 3.47Å; D18-G21 VanDerWaalsContact OD1-N 3.08Å; D18-G21 WeakPolarHBondContact OD2-CA 3.2Å; G21-D23 PolarHBondContact O-N 2.94Å; G21-S24 WeakPolarHBondContact O-CB 3.49Å; G21-S24 PolarHBondContact O-N 3.36Å; G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 3.21Å
22D84.5Confident80.7Confident109 Ų109112.8 Ų112.858%0.58360%0.598SS**Hα-helixtrans-61.3-44.8177.1-77.2-25.1000111.9D18 S24 I25 H26D18-D22 WeakPolarHBondContact O-CB 3.28Å; D18-D22 PolarHBondContact O-N 2.75Å; D22-S24 VanDerWaalsContact C-N 3.32Å; D22-S24 PolarHBondContact O-N 2.9Å; D22-I25 PolarHBondContact O-N 3.04Å; D22-H26 WeakPolarHBondContact O-CB 3.41Å; D22-H26 PolarHBondContact O-N 2.96Å
23D85.6Confident82.4Confident93 Ų93119.1 Ų119.150%0.49760%0.604SS.*Hα-helixtrans-62.8-38.1175.4-87.1-8.8000112.2E19 G21 H26 K27E19-D23 WeakPolarHBondContact O-CB 3.31Å; E19-D23 PolarHBondContact O-N 3.03Å; G21-D23 PolarHBondContact O-N 2.94Å; D23-H26 PolarHBondContact O-N 3.44Å; D23-K27 WeakPolarHBondContact O-CG 3.47Å; D23-K27 PolarHBondContact O-N 3.43Å
24S84.3Confident83.2Confident75 Ų75121.3 Ų121.352%0.52460%0.604SS.*Hα-helixtrans-63.9-47.8176.4-172.60000111.3D20 G21 D22 H26 K27 L28D20-S24 WeakPolarHBondContact O-CB 3.45Å; D20-S24 PolarHBondContact O-N 2.82Å; G21-S24 WeakPolarHBondContact O-CB 3.49Å; G21-S24 PolarHBondContact O-N 3.36Å; D22-S24 VanDerWaalsContact C-N 3.32Å; D22-S24 PolarHBondContact O-N 2.9Å; S24-H26 VanDerWaalsContact C-N 3.29Å; S24-H26 PolarHBondContact O-N 2.8Å; S24-K27 PolarHBondContact O-N 2.92Å; S24-L28 WeakPolarHBondContact O-CB 3.13Å; S24-L28 PolarHBondContact O-N 2.93Å
25I85.7Confident83.4Confident82 Ų82120.7 Ų120.742%0.42159%0.59SS.*Hα-helixtrans-61.2-39.8175.8-68170.6000110.6G21 D22 L28 K29G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 3.21Å; D22-I25 PolarHBondContact O-N 3.04Å; I25-L28 PolarHBondContact O-N 3.03Å; I25-K29 HydrophobicContact CG2-CD 3.99Å; I25-K29 HydrophobicContact CG2-CG 4.48Å; I25-K29 WeakPolarHBondContact O-CB 3.37Å; I25-K29 WeakPolarHBondContact O-CG 3.38Å; I25-K29 PolarHBondContact O-N 3.32Å
26H83.3Confident83.6Confident107 Ų107115.1 Ų115.150%0.49557%0.566SS.*Hα-helixtrans-60.8-50.3176.1-170.2-87.3000111.5D22 D23 S24 L28 K29 E30D22-H26 WeakPolarHBondContact O-CB 3.41Å; D22-H26 PolarHBondContact O-N 2.96Å; D23-H26 PolarHBondContact O-N 3.44Å; S24-H26 VanDerWaalsContact C-N 3.29Å; S24-H26 PolarHBondContact O-N 2.8Å; H26-L28 VanDerWaalsContact C-N 3.32Å; H26-L28 PolarHBondContact O-N 3.26Å; H26-K29 PolarHBondContact O-N 2.89Å; H26-E30 IonicContact CE1-OE1 3.42Å; H26-E30 PolarHBondContact CE1-OE1 2.97Å; H26-E30 IonicContact CE1-OE2 2.78Å; H26-E30 IonicContact ND1-OE1 3.53Å; H26-E30 IonicContact ND1-OE2 3.12Å; H26-E30 WeakPolarHBondContact O-CG 3.5Å; H26-E30 PolarHBondContact O-N 3.43Å
27K88.2Confident83.7Confident121 Ų121113.4 Ų113.453%0.52656%0.556SS.*Hα-helixtrans-60.3-39.7176.8-71.6166.7-172159.80112.2D23 S24 E30 K31D23-K27 WeakPolarHBondContact O-CG 3.47Å; D23-K27 PolarHBondContact O-N 3.43Å; S24-K27 PolarHBondContact O-N 2.92Å; K27-E30 PolarHBondContact O-N 3.39Å; K27-K31 WeakPolarHBondContact O-CG 3.38Å; K27-K31 PolarHBondContact O-N 2.84Å
28L87.6Confident83.9Confident124 Ų124116.9 Ų116.965%0.64956%0.559SS**Hα-helixtrans-62.1-45.9176.4-176.165.9000111S24 I25 H26 E30 K31 A32S24-L28 WeakPolarHBondContact O-CB 3.13Å; S24-L28 PolarHBondContact O-N 2.93Å; I25-L28 PolarHBondContact O-N 3.03Å; H26-L28 VanDerWaalsContact C-N 3.32Å; H26-L28 PolarHBondContact O-N 3.26Å; L28-E30 VanDerWaalsContact C-N 3.35Å; L28-E30 PolarHBondContact O-N 3.33Å; L28-K31 PolarHBondContact O-N 2.87Å; L28-A32 PolarHBondContact O-N 2.84Å
29K86.2Confident83.9Confident132 Ų132117 Ų11757%0.57458%0.578SS**Hα-helixtrans-64.4-35.3176.5-73.6172.2-179.9170.10112.8I25 H26 A32I25-K29 HydrophobicContact CG2-CD 3.99Å; I25-K29 HydrophobicContact CG2-CG 4.48Å; I25-K29 WeakPolarHBondContact O-CB 3.37Å; I25-K29 WeakPolarHBondContact O-CG 3.38Å; I25-K29 PolarHBondContact O-N 3.32Å; H26-K29 PolarHBondContact O-N 2.89Å; K29-A32 WeakPolarHBondContact O-CB 3.46Å; K29-A32 PolarHBondContact O-N 3.23Å
30E85.8Confident83.5Confident129 Ų129117.6 Ų117.660%0.60358%0.58SS**Hα-helixtrans-69.7-36175.6-75.1-172.3144.600112.9H26 K27 L28 A32H26-E30 IonicContact CE1-OE1 3.42Å; H26-E30 PolarHBondContact CE1-OE1 2.97Å; H26-E30 IonicContact CE1-OE2 2.78Å; H26-E30 IonicContact ND1-OE1 3.53Å; H26-E30 IonicContact ND1-OE2 3.12Å; H26-E30 WeakPolarHBondContact O-CG 3.5Å; H26-E30 PolarHBondContact O-N 3.43Å; K27-E30 PolarHBondContact O-N 3.39Å; L28-E30 VanDerWaalsContact C-N 3.35Å; L28-E30 PolarHBondContact O-N 3.33Å; E30-A32 PolarHBondContact O-N 3.44Å
31K89.6Confident82.6Confident171 Ų171115.6 Ų115.674%0.74358%0.582SS**Hα-helixtrans-69.4-16.3176.7-74.7177.7-179.91790113.5K27 L28 K33K27-K31 WeakPolarHBondContact O-CG 3.38Å; K27-K31 PolarHBondContact O-N 2.84Å; L28-K31 PolarHBondContact O-N 2.87Å; K31-K33 PolarHBondContact O-N 3.38Å; K31-K33 VanDerWaalsContact O-N 3.1Å
32A86.1Confident80.9Confident47 Ų47120.5 Ų120.539%0.38861%0.613SS.*  trans-68.6105.5-178.600000112.1L28 K29 E30 R34L28-A32 PolarHBondContact O-N 2.84Å; K29-A32 WeakPolarHBondContact O-CB 3.46Å; K29-A32 PolarHBondContact O-N 3.23Å; E30-A32 PolarHBondContact O-N 3.44Å; A32-R34 VanDerWaalsContact C-N 3.28Å; A32-R34 PolarHBondContact O-N 3.32Å
33K83.4Confident79.2Confident210 Ų210123.7 Ų123.791%0.91362%0.624SS**SBendtrans-70.6-19.2179-65.2-178-179.11770114.4K31K31-K33 PolarHBondContact O-N 3.38Å; K31-K33 VanDerWaalsContact O-N 3.1Å
34R83.4Confident77.5Confident228 Ų228127.9 Ų127.986%0.8664%0.641SS**  trans-123.8124-178.9-69.3-175.7174.4166.8-0.7109A32A32-R34 VanDerWaalsContact C-N 3.28Å; A32-R34 PolarHBondContact O-N 3.32Å
35R78.5Confident75.5Confident140 Ų140127.2 Ų127.253%0.52865%0.645SS.*  trans-128.9130.3178.5-59173.679.3144.3-3.2107.4F40R35-F40 HydrophobicContact CB-CD1 4.38Å; R35-F40 HydrophobicContact CB-CD2 4.21Å; R35-F40 HydrophobicContact CB-CE1 4.35Å; R35-F40 HydrophobicContact CB-CE2 4.18Å; R35-F40 HydrophobicContact CB-CG 4.31Å; R35-F40 HydrophobicContact CB-CZ 4.25Å; R35-F40 HydrophobicContact CG-CE1 4.42Å; R35-F40 HydrophobicContact CG-CZ 4.49Å
36K80.7Confident73.9Confident91 Ų91127.2 Ų127.240%0.39666%0.658SS.*  trans-149.1140.4173.9173.4171.1-168.6159.60109.8F40 A46 R47K36-F40 WeakPolarHBondContact O-CE2 3.45Å; K36-A46 VanDerWaalsContact CD-N 3.33Å; K36-A46 WeakPolarHBondContact CD-O 3.35Å; K36-R47 HydrophobicContact CD-CG 4.34Å
37G78.8Confident72.3Confident45 Ų45133.5 Ų133.546%0.46468%0.677SS.*SBendtrans138.3162.1170.300000111.1G39 F40G37-G39 PolarHBondContact O-N 3.36Å; G37-G39 VanDerWaalsContact O-N 3.15Å; G37-F40 PolarHBondContact O-N 2.82Å
38R82.5Confident70.7Confident257 Ų257132.2 Ų132.297%0.9768%0.684SS**G310 helixtrans-63.6-18.2179.5-68-179.9174.7179.7-2.7113.2F40R38-F40 VanDerWaalsContact C-N 3.25Å; R38-F40 PolarHBondContact O-N 2.89Å
39G81.6Confident68.9Low80 Ų80138.3 Ų138.383%0.82570%0.698SS**G310 helixtrans-73.4-6.2177.500000115.5G37G37-G39 PolarHBondContact O-N 3.36Å; G37-G39 VanDerWaalsContact O-N 3.15Å
40F74.5Confident67.3Low112 Ų112138.1 Ų138.149%0.49171%0.708SS.*G310 helixtrans-100.53.4-178.2-67.4-67.5000114.8R35 K36 G37 R38R35-F40 HydrophobicContact CB-CD1 4.38Å; R35-F40 HydrophobicContact CB-CD2 4.21Å; R35-F40 HydrophobicContact CB-CE1 4.35Å; R35-F40 HydrophobicContact CB-CE2 4.18Å; R35-F40 HydrophobicContact CB-CG 4.31Å; R35-F40 HydrophobicContact CB-CZ 4.25Å; R35-F40 HydrophobicContact CG-CE1 4.42Å; R35-F40 HydrophobicContact CG-CZ 4.49Å; K36-F40 WeakPolarHBondContact O-CE2 3.45Å; G37-F40 PolarHBondContact O-N 2.82Å; R38-F40 VanDerWaalsContact C-N 3.25Å; R38-F40 PolarHBondContact O-N 2.89Å
41G61.9Low65.6Low54 Ų54143 Ų14356%0.55772%0.721SS**  trans68158.2-166.200000110.8E43G41-E43 PolarHBondContact O-N 3.09Å
42S46.3Very low64.2Low123 Ų123140.4 Ų140.486%0.8671%0.711SS**SBendtrans-67.1101.1-167.751.40000113.6
43E50.2Low63.1Low177 Ų177145.4 Ų145.483%0.82773%0.731SS**  trans-161.2104.9148.9-110.7172.3160.100110.5G41G41-E43 PolarHBondContact O-N 3.09Å
44E48.8Very low62.2Low181 Ų181139.1 Ų139.185%0.84670%0.702SS**  trans58.7140.8152.5-58.8-167.7144.600123.2
45G41.7Very low61.2Low60 Ų60136.3 Ų136.362%0.61970%0.704SS**  trans-86.5156.6-171.300000115.5
46A53.4Low60.5Low83 Ų83135 Ų13569%0.68671%0.712SS**  -162.3131.4110.100000111.7K36K36-A46 VanDerWaalsContact CD-N 3.33Å; K36-A46 WeakPolarHBondContact CD-O 3.35Å
47R48.5Very low59.4Low238 Ų238136.6 Ų136.690%0.89873%0.729SS**  trans-85.9121.1-176.8-93.4176.6156.8174.4-7.4106.7K36K36-R47 HydrophobicContact CD-CG 4.34Å
48S56.1Low58.3Low94 Ų94142.9 Ų142.966%0.65775%0.746SS**  trans-116.3142.3160.375.40000109.7V50S48-V50 PolarHBondContact O-N 3.36Å
49R48.8Very low56.8Low253 Ų253137.4 Ų137.496%0.95573%0.732SS**PPolyproline II helixtrans-65.8126.5172.4-66.1173.7-1731591.4107.9
50V52.2Low55.1Low128 Ų128140.5 Ų140.578%0.77673%0.729SS**PPolyproline II helixtrans-95.1128.9177.6177.80000107.4S48S48-V50 PolarHBondContact O-N 3.36Å
51R51.8Low54.1Low232 Ų232139 Ų13988%0.87575%0.746SS**PPolyproline II helixtrans-64.7136.3170.5179.5177174.5173.4-2.2107.5D53R51-D53 VanDerWaalsContact C-N 3.31Å; R51-D53 PolarHBondContact O-N 2.65Å
52E58.2Low53.9Low115 Ų115142.8 Ų142.854%0.53775%0.753SS.*  trans-7292-177.6-62.8-177.9154.200108.7K114E52-K114 WeakPolarHBondContact OE1-CE 3.42Å; E52-K114 IonicContact OE1-NZ 3.75Å; E52-K114 PolarHBondContact OE1-NZ 3.37Å; E52-K114 WeakPolarHBondContact OE2-CE 3.43Å; E52-K114 IonicContact OE2-NZ 2.85Å; E52-K114 PolarHBondContact OE2-NZ 3.37Å
53D65Low54.5Low153 Ų153143.2 Ų143.282%0.81874%0.742SS**  trans-90.6123.3168.7-157.630.9000106R51R51-D53 VanDerWaalsContact C-N 3.31Å; R51-D53 PolarHBondContact O-N 2.65Å
54Y63Low55.5Low78 Ų78137 Ų13731%0.30672%0.717SS.*  trans-80129.8172.4-65-83.4000107T56 F76 K114 Y116Y54-T56 PolarHBondContact O-N 2.57Å; Y54-F76 HydrophobicContact CD1-CZ 4.09Å; Y54-F76 HydrophobicContact CE1-CZ 4.44Å; Y54-K114 PolarHBondContact OH-O 2.8Å; Y54-K114 VanDerWaalsContact OH-O 3.09Å; Y54-Y116 AromaticContact CE1-CD1 3.79Å; Y54-Y116 HydrophobicContact CE1-CD1 3.79Å; Y54-Y116 HydrophobicContact CE1-CE1 4.25Å; Y54-Y116 HydrophobicContact CE1-CG 4.46Å; Y54-Y116 AromaticContact CZ-CD1 3.86Å; Y54-Y116 VanDerWaalsContact OH-CD1 3.31Å; Y54-Y116 WeakPolarHBondContact OH-CD1 3.48Å
55D63.5Low57.3Low168 Ų168129.9 Ų129.990%0.89869%0.693SS**  trans-68.897.9175.6-128.1-23.2000107.6
56T63.3Low59.7Low113 Ų113128 Ų12869%0.69367%0.67SS**PPolyproline II helixtrans-84.8127.7169.7-54.80000107.7Y54 E58Y54-T56 PolarHBondContact O-N 2.57Å; T56-E58 PolarHBondContact O-N 2.77Å
57V58.4Low61.7Low125 Ų125128.2 Ų128.276%0.75866%0.656SS**PPolyproline II helixtrans-65.7119.1174.3-177.70000108.2Q59V57-Q59 PolarHBondContact O-N 2.82Å
58E54.9Low63.9Low176 Ų176121.8 Ų121.882%0.82263%0.632SS**PPolyproline II helixtrans-60128.5176.2-67.8-168.5139.800110.2T56 D60T56-E58 PolarHBondContact O-N 2.77Å; E58-D60 PolarHBondContact O-N 3.06Å
59Q50.8Low65.8Low142 Ų142118.7 Ų118.766%0.66461%0.61SS**  trans-80.277.6-171.1-161.7-178.247.100111.1V57 G61 E63V57-Q59 PolarHBondContact O-N 2.82Å; Q59-G61 PolarHBondContact O-N 3.35Å; Q59-E63 HydrophobicContact CG-CG 3.73Å; Q59-E63 PolarHBondContact NE2-OE1 3.29Å; Q59-E63 PolarHBondContact NE2-OE2 2.96Å
60D47Very low68Low145 Ų145113 Ų11378%0.77560%0.603SS**  trans-85.493.3171.9-85.2-45.5000111.4E58 D62E58-D60 PolarHBondContact O-N 3.06Å; D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 2.77Å
61G51.9Low69.9Low82 Ų82113.3 Ų113.385%0.84560%0.596SS**SBendtrans58.8-9.5143.300000122.6Q59Q59-G61 PolarHBondContact O-N 3.35Å
62D58.3Low72.1Confident132 Ų132102.2 Ų102.271%0.70656%0.555SS**SBendtrans-149.969177-132.5-71.6000106.6D60 P64D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 2.77Å; D62-P64 WeakPolarHBondContact O-CD 3.07Å; D62-P64 VanDerWaalsContact O-N 3.12Å
63E59.3Low73.9Confident132 Ų13298.6 Ų98.662%0.61754%0.536SS*.  trans-56.4120.8-173.4-90.7-175.7118.300110.3Q59 G65Q59-E63 HydrophobicContact CG-CG 3.73Å; Q59-E63 PolarHBondContact NE2-OE1 3.29Å; Q59-E63 PolarHBondContact NE2-OE2 2.96Å; E63-G65 PolarHBondContact O-N 3.47Å
64P71.7Confident75.5Confident46 Ų4692.6 Ų92.630%0.29950%0.504SS..  trans-60114.8168.921.2-26.7000107.5D62 V151 R152D62-P64 WeakPolarHBondContact O-CD 3.07Å; D62-P64 VanDerWaalsContact O-N 3.12Å; P64-V151 HydrophobicContact CB-CB 4.31Å; P64-V151 HydrophobicContact CG-CB 3.99Å; P64-V151 HydrophobicContact CG-CG2 4Å; P64-R152 HydrophobicContact CB-CB 3.94Å; P64-R152 WeakPolarHBondContact CB-O 3.47Å; P64-R152 WeakPolarHBondContact CG-O 3.37Å
65G85Confident77.2Confident33 Ų3388.9 Ų88.934%0.3449%0.489SS..PPolyproline II helixtrans-53.3158.9179.300000111.5E63 R152E63-G65 PolarHBondContact O-N 3.47Å; G65-R152 WeakPolarHBondContact O-CB 3.5Å; G65-R152 WeakPolarHBondContact O-CD 3.26Å; G65-R152 WeakPolarHBondContact O-CG 3.33Å; G65-R152 PolarHBondContact O-N 3.33Å
66P93.9Very high78.9Confident21 Ų2183.5 Ų83.514%0.13646%0.458CS..BIsolated β-bridgetrans-59.9147.6-172.622.9-33000112.8W73 Y124 W148P66-W73 HydrophobicContact CB-CE3 4.29Å; P66-W73 HydrophobicContact CB-CZ3 3.88Å; P66-W73 HydrophobicContact CG-CZ3 4.03Å; P66-Y124 HydrophobicContact CG-CD2 4.44Å; P66-Y124 HydrophobicContact CG-CE2 3.59Å; P66-W148 HydrophobicContact CB-CB 4.19Å; P66-W148 HydrophobicContact CB-CD2 3.33Å; P66-W148 HydrophobicContact CB-CE3 3.71Å; P66-W148 HydrophobicContact CB-CG 3.54Å; P66-W148 HydrophobicContact CB-CH2 4.49Å; P66-W148 HydrophobicContact CB-CZ2 4.19Å; P66-W148 HydrophobicContact CB-CZ3 4.27Å; P66-W148 HydrophobicContact CG-CD2 3.9Å; P66-W148 HydrophobicContact CG-CE3 4.39Å; P66-W148 HydrophobicContact CG-CG 4.31Å; P66-W148 HydrophobicContact CG-CH2 4.35Å; P66-W148 HydrophobicContact CG-CZ2 3.84Å
67Q94.6Very high80.5Confident86 Ų8678.1 Ų78.140%0.40243%0.425SS..PPolyproline II helixtrans-103.9122.8178.417857.962.800109.4F150 R152Q67-F150 HydrophobicContact CB-CB 3.99Å; Q67-F150 HydrophobicContact CG-CB 4.44Å; Q67-F150 PolarHBondContact N-O 3.32Å; Q67-R152 HydrophobicContact CB-CG 4.44Å
68R94.9Very high82.4Confident103 Ų10373.5 Ų73.539%0.38940%0.397SS..PPolyproline II helixtrans-69.1136.9172.3-165.3-174.9175.4-85.83.7109.5V70 E71 G72 W73R68-V70 PolarHBondContact NH1-O 2.96Å; R68-E71 PolarHBondContact NH2-O 3.43Å; R68-G72 WeakPolarHBondContact CG-O 3.24Å; R68-W73 HydrophobicContact CB-CD2 4.1Å; R68-W73 HydrophobicContact CB-CE3 4.2Å; R68-W73 HydrophobicContact CB-CH2 3.92Å; R68-W73 HydrophobicContact CB-CZ2 3.79Å; R68-W73 HydrophobicContact CB-CZ3 4.11Å; R68-W73 HydrophobicContact CG-CD2 3.98Å; R68-W73 HydrophobicContact CG-CG 4.3Å; R68-W73 HydrophobicContact CG-CZ2 4Å
69S95.5Very high84.3Confident29 Ų2966.1 Ų66.120%0.20337%0.368CS..  trans-77.6-177.5168.7-680000111E71 G72 I74 F150S69-E71 VanDerWaalsContact C-N 3.34Å; S69-E71 PolarHBondContact O-N 2.9Å; S69-G72 WeakPolarHBondContact CA-O 3.36Å; S69-G72 WeakPolarHBondContact CB-O 3.06Å; S69-G72 PolarHBondContact N-O 3.28Å; S69-I74 WeakPolarHBondContact OG-CD1 3.19Å; S69-F150 WeakPolarHBondContact OG-CD2 3.5Å
70V94.4Very high86.5Confident134 Ų13459.5 Ų59.581%0.81234%0.337SS*.SBendtrans-59.2-46.4-178-179.10000110.9R68R68-V70 PolarHBondContact NH1-O 2.96Å
71E93.6Very high88.9Confident134 Ų13454.6 Ų54.663%0.62631%0.309SS*.SBendtrans-109.3-19.1-172.2-60.4-169.814500113.7R68 S69R68-E71 PolarHBondContact NH2-O 3.43Å; S69-E71 VanDerWaalsContact C-N 3.34Å; S69-E71 PolarHBondContact O-N 2.9Å
72G96.2Very high91Very high0 Ų055.8 Ų55.80%029%0.293CS..SBendtrans-165.6-157.1-179.600000115.2R68 S69 E120 Y121R68-G72 WeakPolarHBondContact CG-O 3.24Å; S69-G72 WeakPolarHBondContact CA-O 3.36Å; S69-G72 WeakPolarHBondContact CB-O 3.06Å; S69-G72 PolarHBondContact N-O 3.28Å; G72-E120 VanDerWaalsContact CA-OE1 3.32Å; G72-E120 WeakPolarHBondContact CA-OE1 3.46Å; G72-E120 PolarHBondContact N-OE1 2.96Å; G72-Y121 CarbonylContact C-O 3.46Å; G72-Y121 WeakPolarHBondContact CA-O 3.43Å
73W97.9Very high92.8Very high39 Ų3954.7 Ų54.715%0.14828%0.283CS..EExtended strand (participates in β ladder)trans-112.7118.1177.1-6484.1000108.5P66 R68 E120 Y121 Y124 A127 W148P66-W73 HydrophobicContact CB-CE3 4.29Å; P66-W73 HydrophobicContact CB-CZ3 3.88Å; P66-W73 HydrophobicContact CG-CZ3 4.03Å; R68-W73 HydrophobicContact CB-CD2 4.1Å; R68-W73 HydrophobicContact CB-CE3 4.2Å; R68-W73 HydrophobicContact CB-CH2 3.92Å; R68-W73 HydrophobicContact CB-CZ2 3.79Å; R68-W73 HydrophobicContact CB-CZ3 4.11Å; R68-W73 HydrophobicContact CG-CD2 3.98Å; R68-W73 HydrophobicContact CG-CG 4.3Å; R68-W73 HydrophobicContact CG-CZ2 4Å; W73-E120 WeakPolarHBondContact O-CA 3.23Å; W73-Y121 PolarHBondContact N-O 3.19Å; W73-Y121 PolarHBondContact O-N 3.22Å; W73-Y124 AromaticContact CD2-CD2 3.99Å; W73-Y124 HydrophobicContact CD2-CD2 3.99Å; W73-Y124 AromaticContact CE3-CD2 3.8Å; W73-Y124 HydrophobicContact CE3-CD2 3.8Å; W73-Y124 AromaticContact CH2-CD2 3.67Å; W73-Y124 HydrophobicContact CH2-CD2 3.67Å; W73-Y124 HydrophobicContact CH2-CE2 4.42Å; W73-Y124 HydrophobicContact CH2-CG 4.44Å; W73-Y124 AromaticContact CZ2-CD2 3.87Å; W73-Y124 HydrophobicContact CZ2-CD2 3.87Å; W73-Y124 HydrophobicContact CZ2-CG 4.25Å; W73-Y124 AromaticContact CZ3-CD2 3.65Å; W73-Y124 HydrophobicContact CZ3-CD2 3.65Å; W73-Y124 HydrophobicContact CZ3-CE2 4.2Å; W73-A127 HydrophobicContact CB-CB 3.76Å; W73-W148 HydrophobicContact CB-CZ3 4.27Å; W73-W148 HydrophobicContact CE3-CE3 4.48Å; W73-W148 AromaticContact CE3-CZ3 4Å; W73-W148 HydrophobicContact CE3-CZ3 4Å
74I98.2Very high94.6Very high27 Ų2748.7 Ų48.714%0.13826%0.256CS..EExtended strand (participates in β ladder)trans-96.1130.3-175.8-63.5-177.5000109.1S69 L118 V119 E120 G149 F150S69-I74 WeakPolarHBondContact OG-CD1 3.19Å; I74-L118 HydrophobicContact CG2-CB 4.14Å; I74-L118 HydrophobicContact CG2-CD2 3.92Å; I74-V119 CarbonylContact C-O 3.59Å; I74-V119 WeakPolarHBondContact CA-O 3.47Å; I74-E120 HydrophobicContact CG1-CB 4Å; I74-E120 HydrophobicContact CG1-CG 3.86Å; I74-G149 WeakPolarHBondContact O-CA 3.31Å; I74-G149 PolarHBondContact O-N 3.17Å; I74-F150 HydrophobicContact CB-CD2 4.23Å; I74-F150 HydrophobicContact CB-CE2 4.06Å; I74-F150 HydrophobicContact CD1-CE2 3.83Å; I74-F150 HydrophobicContact CG1-CE2 4.4Å; I74-F150 HydrophobicContact CG2-CE2 4.21Å
75L98.3Very high95.7Very high0 Ų049.6 Ų49.60%026%0.261CS..EExtended strand (participates in β ladder)trans-98.9139.9167.1-61.1-179.4000109.7F93 L118 V119 Y121 A127 A130 M131 V146 D147 W148L75-F93 HydrophobicContact CD1-CE1 4.28Å; L75-L118 WeakPolarHBondContact O-CA 3.35Å; L75-V119 PolarHBondContact N-O 3.45Å; L75-V119 PolarHBondContact O-N 3.35Å; L75-Y121 HydrophobicContact CD1-CD2 4.3Å; L75-Y121 HydrophobicContact CD1-CE2 3.96Å; L75-A127 HydrophobicContact CD1-CB 4.46Å; L75-A127 WeakPolarHBondContact CD1-O 3.34Å; L75-A127 HydrophobicContact CD2-CB 4.16Å; L75-A127 HydrophobicContact CG-CB 4.25Å; L75-A130 HydrophobicContact CD1-CB 3.86Å; L75-M131 HydrophobicContact CD2-CB 4.32Å; L75-M131 HydrophobicContact CD2-CE 3.49Å; L75-M131 VanDerWaalsContact CD2-CE 3.49Å; L75-V146 HydrophobicContact CB-CG1 4.17Å; L75-V146 HydrophobicContact CD1-CG1 3.9Å; L75-V146 HydrophobicContact CG-CG1 4.44Å; L75-D147 CarbonylContact C-O 3.45Å; L75-D147 VanDerWaalsContact CA-O 3.31Å; L75-D147 WeakPolarHBondContact CA-O 3.47Å; L75-W148 HydrophobicContact CD2-CD2 4.45Å; L75-W148 HydrophobicContact CD2-CE3 3.84Å; L75-W148 HydrophobicContact CD2-CZ3 4.02Å
76F98.1Very high96.3Very high54 Ų5453.6 Ų53.624%0.23727%0.271CS..EExtended strand (participates in β ladder)trans-102.1116.6170.6-176.1-120.5000108.9Y54 T78 Y116 L118 D147Y54-F76 HydrophobicContact CD1-CZ 4.09Å; Y54-F76 HydrophobicContact CE1-CZ 4.44Å; F76-T78 HydrophobicContact CD1-CG2 3.65Å; F76-T78 HydrophobicContact CE1-CG2 3.16Å; F76-T78 HydrophobicContact CE2-CG2 4.46Å; F76-T78 HydrophobicContact CG-CG2 4.48Å; F76-T78 HydrophobicContact CZ-CG2 3.64Å; F76-Y116 HydrophobicContact CD2-CD2 4.45Å; F76-Y116 AromaticContact CE2-CD2 3.68Å; F76-Y116 HydrophobicContact CE2-CD2 3.68Å; F76-Y116 HydrophobicContact CE2-CE2 4.44Å; F76-Y116 AromaticContact CE2-CG 3.93Å; F76-Y116 HydrophobicContact CE2-CG 3.93Å; F76-Y116 HydrophobicContact CZ-CG 4.36Å; F76-L118 HydrophobicContact CB-CD2 4.42Å; F76-L118 HydrophobicContact CD2-CD2 3.66Å; F76-L118 HydrophobicContact CE2-CD2 4.48Å; F76-D147 PolarHBondContact N-O 3.39Å; F76-D147 PolarHBondContact O-N 3.11Å
77V97.7Very high96.4Very high0 Ų059.1 Ų59.10%030%0.295CS..EExtended strand (participates in β ladder)trans-106.5127.1-177.9-173.50000107.9V80 F93 Y116 A117 V119 I144 S145 V146V77-V80 HydrophobicContact CG1-CG2 3.91Å; V77-F93 HydrophobicContact CB-CZ 4.42Å; V77-F93 HydrophobicContact CG1-CZ 4.12Å; V77-F93 HydrophobicContact CG2-CE1 3.88Å; V77-F93 HydrophobicContact CG2-CE2 4.26Å; V77-F93 HydrophobicContact CG2-CZ 3.42Å; V77-F93 VanDerWaalsContact CG2-CZ 3.42Å; V77-Y116 CarbonylContact O-C 3.59Å; V77-Y116 WeakPolarHBondContact O-CA 3.24Å; V77-Y116 VanDerWaalsContact O-CB 3.24Å; V77-Y116 WeakPolarHBondContact O-CB 2.94Å; V77-A117 HydrophobicContact CB-CB 4.24Å; V77-A117 PolarHBondContact N-O 3.47Å; V77-A117 PolarHBondContact O-N 2.81Å; V77-V119 HydrophobicContact CG2-CG2 4.14Å; V77-I144 HydrophobicContact CG1-CB 4.23Å; V77-I144 HydrophobicContact CG1-CD1 4.25Å; V77-S145 CarbonylContact C-O 3.54Å; V77-S145 WeakPolarHBondContact CA-O 3.39Å; V77-V146 HydrophobicContact CG1-CG2 4.3Å; V77-V146 HydrophobicContact CG2-CG1 4.4Å; V77-V146 HydrophobicContact CG2-CG2 4.41Å
78T97.5Very high96.5Very high29 Ų2958 Ų5818%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-123.4162176.864.70000111.2F76 V80 I144 S145F76-T78 HydrophobicContact CD1-CG2 3.65Å; F76-T78 HydrophobicContact CE1-CG2 3.16Å; F76-T78 HydrophobicContact CE2-CG2 4.46Å; F76-T78 HydrophobicContact CG-CG2 4.48Å; F76-T78 HydrophobicContact CZ-CG2 3.64Å; T78-V80 VanDerWaalsContact C-N 3.33Å; T78-I144 CarbonylContact O-C 3.57Å; T78-I144 VanDerWaalsContact O-CA 3.31Å; T78-I144 WeakPolarHBondContact O-CA 3.47Å; T78-S145 PolarHBondContact N-O 3.25Å; T78-S145 PolarHBondContact O-N 3.19Å; T78-S145 WeakPolarHBondContact OG1-CB 3.17Å
79G95.7Very high96.6Very high20 Ų2053.1 Ų53.121%0.20627%0.273CS..  trans78.119.6-177.200000113.3H81 G115 Q142G79-H81 PolarHBondContact O-N 2.59Å; G79-G115 PolarHBondContact N-O 2.97Å; G79-Q142 PolarHBondContact O-NE2 3Å
80V96.9Very high96.7Very high3 Ų355.8 Ų55.82%0.01828%0.282CS..  trans-64.9132.6174.6-179.30000109.4V77 T78 A84 I89 L104 L113 G115 A117 M139V77-V80 HydrophobicContact CG1-CG2 3.91Å; T78-V80 VanDerWaalsContact C-N 3.33Å; V80-A84 HydrophobicContact CG1-CB 3.89Å; V80-I89 HydrophobicContact CG1-CD1 3.86Å; V80-I89 HydrophobicContact CG2-CD1 4.25Å; V80-L104 HydrophobicContact CG1-CD1 4.3Å; V80-L113 HydrophobicContact CG1-CD1 3.68Å; V80-G115 PolarHBondContact N-O 2.78Å; V80-G115 VanDerWaalsContact N-O 3.14Å; V80-G115 WeakPolarHBondContact O-CA 3.44Å; V80-A117 HydrophobicContact CG2-CB 4.39Å; V80-M139 HydrophobicContact CG1-SD 4.45Å
81H97Very high96.7Very high42 Ų4254.3 Ų54.319%0.19427%0.27CS..  trans-60.8141179.8-173.5-88.3000111.3G79 E83 A84 L113 M140G79-H81 PolarHBondContact O-N 2.59Å; H81-E83 PolarHBondContact ND1-N 2.94Å; H81-E83 VanDerWaalsContact ND1-N 3.19Å; H81-E83 PolarHBondContact O-N 3.14Å; H81-E83 VanDerWaalsContact O-N 3.15Å; H81-A84 HydrophobicContact CB-CB 4.29Å; H81-A84 WeakPolarHBondContact O-CB 3.46Å; H81-A84 PolarHBondContact O-N 2.89Å; H81-L113 WeakPolarHBondContact O-CD1 3.45Å; H81-M140 HydrophobicContact CB-CB 3.86Å; H81-M140 HydrophobicContact CB-CG 4.37Å; H81-M140 HydrophobicContact CB-SD 3.95Å
82E96.2Very high96.8Very high108 Ų10850.1 Ų50.151%0.50525%0.25SS..THydrogen-bonded Turntrans-65.4-23-170.773.1-177.3164.100114.3Y112 L113E82-Y112 HydrophobicContact CG-CD1 4.45Å; E82-Y112 HydrophobicContact CG-CG 4.43Å; E82-Y112 WeakPolarHBondContact O-CB 3.45Å; E82-L113 PolarHBondContact O-N 3.39Å
83E96Very high96.9Very high108 Ų10850.1 Ų50.151%0.50525%0.25SS..THydrogen-bonded Turntrans-102.35.7175.9-53.4-167.4150.500114H81 Y112 M140H81-E83 PolarHBondContact ND1-N 2.94Å; H81-E83 VanDerWaalsContact ND1-N 3.19Å; H81-E83 PolarHBondContact O-N 3.14Å; H81-E83 VanDerWaalsContact O-N 3.15Å; E83-Y112 HydrophobicContact CG-CD1 4.13Å; E83-Y112 HydrophobicContact CG-CE1 3.9Å; E83-M140 HydrophobicContact CB-CE 4.48Å
84A96.7Very high96.9Very high6 Ų650.2 Ų50.25%0.0526%0.259CS..  trans-64.2157174.400000110.8V80 H81 L113 M140V80-A84 HydrophobicContact CG1-CB 3.89Å; H81-A84 HydrophobicContact CB-CB 4.29Å; H81-A84 WeakPolarHBondContact O-CB 3.46Å; H81-A84 PolarHBondContact O-N 2.89Å; A84-L113 HydrophobicContact CB-CD1 3.85Å; A84-L113 WeakPolarHBondContact O-CD1 3.43Å; A84-L113 WeakPolarHBondContact O-CG 3.33Å; A84-M140 HydrophobicContact CB-SD 3.78Å
85T96.5Very high96.8Very high65 Ų6556.9 Ų56.940%0.39929%0.289SS..  trans-113.7167.6178.668.30000111E87 D88 I89 L104T85-E87 PolarHBondContact O-N 3.1Å; T85-E87 PolarHBondContact OG1-N 3.06Å; T85-D88 WeakPolarHBondContact CA-OD2 3.44Å; T85-D88 WeakPolarHBondContact CB-OD2 3.41Å; T85-D88 PolarHBondContact N-OD2 3.41Å; T85-D88 PolarHBondContact O-N 3.31Å; T85-D88 PolarHBondContact OG1-N 3.46Å; T85-D88 PolarHBondContact OG1-OD2 3.31Å; T85-I89 PolarHBondContact O-N 2.97Å; T85-L104 VanDerWaalsContact C-CD2 3.49Å
86E96Very high96.8Very high118 Ų11859.1 Ų59.155%0.55130%0.299SS*.Hα-helixtrans-60.6-33.5172.9-174.4172159.500111.8I89 H90 L102 L104E86-I89 PolarHBondContact O-N 2.88Å; E86-H90 VanDerWaalsContact O-CB 3.23Å; E86-H90 WeakPolarHBondContact O-CB 3.2Å; E86-H90 PolarHBondContact O-N 3.26Å; E86-L102 HydrophobicContact CG-CD1 4.01Å; E86-L102 HydrophobicContact CG-CD2 3.84Å; E86-L102 HydrophobicContact CG-CG 4.46Å; E86-L104 HydrophobicContact CB-CD2 4.17Å
87E96.6Very high96.7Very high137 Ų13757.5 Ų57.564%0.6430%0.298SS*.Hα-helixtrans-61.9-44.7174.8-172.3175.5176.400111.3T85 I89 H90 D91T85-E87 PolarHBondContact O-N 3.1Å; T85-E87 PolarHBondContact OG1-N 3.06Å; E87-I89 VanDerWaalsContact C-N 3.32Å; E87-I89 PolarHBondContact O-N 2.93Å; E87-H90 PolarHBondContact O-N 3.15Å; E87-D91 WeakPolarHBondContact O-CB 3.43Å; E87-D91 PolarHBondContact O-N 3.35Å
88D96.2Very high96.7Very high62 Ų6263.3 Ų63.333%0.33233%0.325SS..Hα-helixtrans-61.8-39.1178.4-60.5-67.3000112.6T85 K92T85-D88 WeakPolarHBondContact CA-OD2 3.44Å; T85-D88 WeakPolarHBondContact CB-OD2 3.41Å; T85-D88 PolarHBondContact N-OD2 3.41Å; T85-D88 PolarHBondContact O-N 3.31Å; T85-D88 PolarHBondContact OG1-N 3.46Å; T85-D88 PolarHBondContact OG1-OD2 3.31Å; D88-K92 PolarHBondContact O-N 3.24Å
89I96.7Very high96.7Very high0 Ų063.2 Ų63.20%032%0.323CS..Hα-helixtrans-70.6-48.1175.5-56.1-53.7000109.7V80 T85 E86 E87 D91 K92 F93 L102 L104 V119 M139V80-I89 HydrophobicContact CG1-CD1 3.86Å; V80-I89 HydrophobicContact CG2-CD1 4.25Å; T85-I89 PolarHBondContact O-N 2.97Å; E86-I89 PolarHBondContact O-N 2.88Å; E87-I89 VanDerWaalsContact C-N 3.32Å; E87-I89 PolarHBondContact O-N 2.93Å; I89-D91 PolarHBondContact O-N 3.04Å; I89-K92 PolarHBondContact O-N 2.86Å; I89-F93 HydrophobicContact CG2-CD2 3.86Å; I89-F93 HydrophobicContact CG2-CE2 4.18Å; I89-F93 WeakPolarHBondContact O-CB 3.44Å; I89-F93 VanDerWaalsContact O-CD2 3.26Å; I89-F93 WeakPolarHBondContact O-CD2 3.46Å; I89-F93 PolarHBondContact O-N 3.01Å; I89-L102 HydrophobicContact CB-CD1 4.04Å; I89-L102 HydrophobicContact CG2-CD1 3.77Å; I89-L102 HydrophobicContact CG2-CG 4.26Å; I89-L104 HydrophobicContact CG1-CD1 4.03Å; I89-L104 HydrophobicContact CG1-CD2 4.22Å; I89-V119 HydrophobicContact CG2-CG2 4.06Å; I89-M139 HydrophobicContact CD1-CE 3.52Å; I89-M139 HydrophobicContact CD1-SD 3.49Å; I89-M139 WeakPolarHBondContact CD1-SD 3.46Å
90H97.5Very high96.8Very high85 Ų8566.4 Ų66.439%0.39433%0.331SS..Hα-helixtrans-57.9-49.6-178.6-178.3-78.8000111.1E86 E87 K92 F93 A94 I99 L102E86-H90 VanDerWaalsContact O-CB 3.23Å; E86-H90 WeakPolarHBondContact O-CB 3.2Å; E86-H90 PolarHBondContact O-N 3.26Å; E87-H90 PolarHBondContact O-N 3.15Å; H90-K92 VanDerWaalsContact C-N 3.31Å; H90-K92 PolarHBondContact O-N 2.64Å; H90-F93 PolarHBondContact O-N 3.28Å; H90-A94 WeakPolarHBondContact O-CB 3.26Å; H90-A94 PolarHBondContact O-N 2.89Å; H90-I99 HydrophobicContact CB-CD1 4.49Å; H90-L102 HydrophobicContact CB-CD1 4.27Å
91D95.9Very high96.8Very high104 Ų10469.6 Ų69.656%0.55635%0.348SS*.Hα-helixtrans-60-40-178.7-77.3-6.3000112.6E87 I89E87-D91 WeakPolarHBondContact O-CB 3.43Å; E87-D91 PolarHBondContact O-N 3.35Å; I89-D91 PolarHBondContact O-N 3.04Å
92K95.8Very high96.9Very high46 Ų4668.4 Ų68.420%0.234%0.343CS..Hα-helixtrans-73.7-34.8-179.3-155.2-178.8-170.6-1750112.5D88 I89 H90 L134 D138 M139 I144D88-K92 PolarHBondContact O-N 3.24Å; I89-K92 PolarHBondContact O-N 2.86Å; H90-K92 VanDerWaalsContact C-N 3.31Å; H90-K92 PolarHBondContact O-N 2.64Å; K92-L134 HydrophobicContact CD-CD2 4.12Å; K92-L134 HydrophobicContact CG-CD1 4.46Å; K92-L134 HydrophobicContact CG-CD2 3.79Å; K92-D138 PolarHBondContact NZ-O 2.69Å; K92-M139 HydrophobicContact CB-CE 4.18Å; K92-M139 HydrophobicContact CD-CE 3.39Å; K92-M139 HydrophobicContact CG-CE 4.42Å; K92-I144 HydrophobicContact CD-CD1 4.33Å
93F97.7Very high96.9Very high0 Ų067.5 Ų67.50%034%0.339CS..Hα-helixtrans-90.2-25.2-176.9-80.5-100.4000112.8L75 V77 I89 H90 E95 F96 I99 V119 Y121 A130 L134 I144 V146L75-F93 HydrophobicContact CD1-CE1 4.28Å; V77-F93 HydrophobicContact CB-CZ 4.42Å; V77-F93 HydrophobicContact CG1-CZ 4.12Å; V77-F93 HydrophobicContact CG2-CE1 3.88Å; V77-F93 HydrophobicContact CG2-CE2 4.26Å; V77-F93 HydrophobicContact CG2-CZ 3.42Å; V77-F93 VanDerWaalsContact CG2-CZ 3.42Å; I89-F93 HydrophobicContact CG2-CD2 3.86Å; I89-F93 HydrophobicContact CG2-CE2 4.18Å; I89-F93 WeakPolarHBondContact O-CB 3.44Å; I89-F93 VanDerWaalsContact O-CD2 3.26Å; I89-F93 WeakPolarHBondContact O-CD2 3.46Å; I89-F93 PolarHBondContact O-N 3.01Å; H90-F93 PolarHBondContact O-N 3.28Å; F93-E95 PolarHBondContact O-N 2.99Å; F93-E95 VanDerWaalsContact O-N 3.14Å; F93-F96 PolarHBondContact O-N 3.46Å; F93-I99 HydrophobicContact CB-CD1 3.75Å; F93-I99 HydrophobicContact CB-CG1 4.46Å; F93-V119 HydrophobicContact CB-CG1 4.3Å; F93-V119 HydrophobicContact CD1-CB 4.21Å; F93-V119 HydrophobicContact CD1-CG1 3.91Å; F93-V119 HydrophobicContact CD1-CG2 4.06Å; F93-V119 HydrophobicContact CE1-CB 4.46Å; F93-V119 HydrophobicContact CE1-CG2 4.18Å; F93-V119 HydrophobicContact CG-CG1 4.29Å; F93-V119 HydrophobicContact CG-CG2 4.27Å; F93-Y121 WeakPolarHBondContact CB-OH 3.48Å; F93-Y121 HydrophobicContact CD1-CE2 4.38Å; F93-Y121 PolarHBondContact O-OH 3.29Å; F93-A130 HydrophobicContact CD1-CB 4.36Å; F93-L134 HydrophobicContact CB-CD1 4.48Å; F93-L134 HydrophobicContact CD1-CD1 3.62Å; F93-L134 HydrophobicContact CD2-CD1 3.71Å; F93-L134 HydrophobicContact CE1-CD1 3.61Å; F93-L134 HydrophobicContact CE2-CD1 3.71Å; F93-L134 HydrophobicContact CG-CD1 3.67Å; F93-L134 HydrophobicContact CZ-CD1 3.65Å; F93-I144 HydrophobicContact CE2-CD1 4.23Å; F93-I144 HydrophobicContact CZ-CD1 4.39Å; F93-V146 HydrophobicContact CE1-CG1 4.37Å; F93-V146 HydrophobicContact CZ-CG2 4.06Å
94A97.4Very high97Very high41 Ų4163.8 Ų63.834%0.33932%0.322SS..G310 helixtrans-65.1-18.6-177.800000113.9H90 F96 I99H90-A94 WeakPolarHBondContact O-CB 3.26Å; H90-A94 PolarHBondContact O-N 2.89Å; A94-F96 PolarHBondContact O-N 3.5Å; A94-I99 HydrophobicContact CB-CD1 4.42Å
95E96.5Very high97Very high166 Ų16666.7 Ų66.778%0.77634%0.337SS*.G310 helixtrans-61.7-27.6175.1-175176.717100112.9F93F93-E95 PolarHBondContact O-N 2.99Å; F93-E95 VanDerWaalsContact O-N 3.14Å
96F97.6Very high97Very high48 Ų4868.1 Ų68.121%0.21134%0.342CS..G310 helixtrans-96.3-12.8-171.2-59.3-84.5000114.4F93 A94 E126 A129 A130 L134F93-F96 PolarHBondContact O-N 3.46Å; A94-F96 PolarHBondContact O-N 3.5Å; F96-E126 WeakPolarHBondContact O-CB 3.48Å; F96-E126 WeakPolarHBondContact O-CG 3.33Å; F96-A129 HydrophobicContact CD1-CB 4.06Å; F96-A129 WeakPolarHBondContact CD1-O 3.43Å; F96-A129 WeakPolarHBondContact CE1-O 3.18Å; F96-A130 HydrophobicContact CB-CB 3.7Å; F96-A130 HydrophobicContact CD1-CB 4.38Å; F96-A130 HydrophobicContact CD2-CB 3.94Å; F96-A130 VanDerWaalsContact CG-CA 3.46Å; F96-A130 HydrophobicContact CG-CB 3.73Å; F96-L134 HydrophobicContact CD2-CD1 4.01Å; F96-L134 HydrophobicContact CD2-CG 4.29Å; F96-L134 HydrophobicContact CE2-CD1 3.61Å; F96-L134 HydrophobicContact CE2-CD2 3.72Å; F96-L134 HydrophobicContact CE2-CG 3.48Å; F96-L134 VanDerWaalsContact CE2-CG 3.48Å; F96-L134 HydrophobicContact CZ-CD1 4.49Å; F96-L134 HydrophobicContact CZ-CD2 4.06Å; F96-L134 HydrophobicContact CZ-CG 3.89Å
97G96.8Very high97Very high19 Ų1963.5 Ų63.520%0.19632%0.32CS..SBendtrans162.3178.6-177.400000113.1I99G97-I99 PolarHBondContact O-N 3.27Å
98E97.2Very high97Very high122 Ų12268.5 Ų68.557%0.5733%0.333SS*.  trans-76.2119175.1-171.3-172.2134.800110.5K100 Y121E98-K100 PolarHBondContact O-N 3.28Å; E98-K100 IonicContact OE1-NZ 2.57Å; E98-K100 PolarHBondContact OE1-NZ 3.41Å; E98-K100 IonicContact OE2-NZ 2.61Å; E98-Y121 WeakPolarHBondContact O-CD1 3.48Å
99I97.9Very high96.9Very high27 Ų2775.4 Ų75.414%0.13836%0.355CS..EExtended strand (participates in β ladder)trans-75.6115.6175.7-59.1171.7000108.4H90 F93 A94 G97 N101 L102 V119 Y121H90-I99 HydrophobicContact CB-CD1 4.49Å; F93-I99 HydrophobicContact CB-CD1 3.75Å; F93-I99 HydrophobicContact CB-CG1 4.46Å; A94-I99 HydrophobicContact CB-CD1 4.42Å; G97-I99 PolarHBondContact O-N 3.27Å; I99-N101 WeakPolarHBondContact CG2-O 3.31Å; I99-L102 HydrophobicContact CG2-CB 4.2Å; I99-V119 HydrophobicContact CG1-CG1 4.27Å; I99-V119 HydrophobicContact CG2-CG1 4.11Å; I99-Y121 HydrophobicContact CG1-CE1 4.12Å
100K97.6Very high96.9Very high88 Ų8878.3 Ų78.338%0.38337%0.373SS..EExtended strand (participates in β ladder)trans-80-37.3177.4-65.9-60-177.9-173.60112.3E98 E120 E122E98-K100 PolarHBondContact O-N 3.28Å; E98-K100 IonicContact OE1-NZ 2.57Å; E98-K100 PolarHBondContact OE1-NZ 3.41Å; E98-K100 IonicContact OE2-NZ 2.61Å; K100-E120 HydrophobicContact CB-CB 4.49Å; K100-E120 HydrophobicContact CB-CG 4.35Å; K100-E120 PolarHBondContact N-O 2.95Å; K100-E122 WeakPolarHBondContact CE-OE2 3.38Å; K100-E122 HydrophobicContact CG-CB 4.28Å; K100-E122 IonicContact NZ-OE2 3.7Å; K100-E122 PolarHBondContact NZ-OE2 2.7Å
101N97.4Very high96.8Very high69 Ų6976.6 Ų76.637%0.36938%0.378SS..EExtended strand (participates in β ladder)trans-153.1147.7-179.7-152.6-14.2000110.9I99 E120I99-N101 WeakPolarHBondContact CG2-O 3.31Å; N101-E120 HydrophobicContact CB-CB 3.95Å; N101-E120 PolarHBondContact O-N 2.75Å
102L97.7Very high96.7Very high17 Ų1776.7 Ų76.79%0.08937%0.372CS..EExtended strand (participates in β ladder)trans-141.2117.1-179.1-168.5166.2000108.9E86 I89 H90 I99 L104 L118E86-L102 HydrophobicContact CG-CD1 4.01Å; E86-L102 HydrophobicContact CG-CD2 3.84Å; E86-L102 HydrophobicContact CG-CG 4.46Å; I89-L102 HydrophobicContact CB-CD1 4.04Å; I89-L102 HydrophobicContact CG2-CD1 3.77Å; I89-L102 HydrophobicContact CG2-CG 4.26Å; H90-L102 HydrophobicContact CB-CD1 4.27Å; I99-L102 HydrophobicContact CG2-CB 4.2Å; L102-L104 HydrophobicContact CD2-CB 3.8Å; L102-L118 CarbonylContact C-O 3.53Å; L102-L118 WeakPolarHBondContact CA-O 3.16Å
103H97.7Very high96.8Very high90 Ų9075.4 Ų75.442%0.41737%0.367SS..EExtended strand (participates in β ladder)trans-109.6114.4173.4-65.4178.5000110.5A117 L118H103-A117 CarbonylContact O-C 3.58Å; H103-A117 WeakPolarHBondContact O-CA 3.4Å; H103-L118 HydrophobicContact CB-CB 4.13Å; H103-L118 HydrophobicContact CB-CD1 4.39Å; H103-L118 PolarHBondContact N-O 2.97Å; H103-L118 PolarHBondContact O-N 3.2Å
104L97Very high96.7Very high30 Ų3077.6 Ų77.616%0.15738%0.376CS..EExtended strand (participates in β ladder)trans-117.288.3178.1-166.162.7000110V80 T85 E86 I89 L102 L113 A117V80-L104 HydrophobicContact CG1-CD1 4.3Å; T85-L104 VanDerWaalsContact C-CD2 3.49Å; E86-L104 HydrophobicContact CB-CD2 4.17Å; I89-L104 HydrophobicContact CG1-CD1 4.03Å; I89-L104 HydrophobicContact CG1-CD2 4.22Å; L102-L104 HydrophobicContact CD2-CB 3.8Å; L104-L113 HydrophobicContact CD1-CD1 3.72Å; L104-L113 HydrophobicContact CD1-CD2 4.35Å; L104-L113 HydrophobicContact CD2-CD1 3.85Å; L104-L113 HydrophobicContact CD2-CD2 3.92Å; L104-L113 HydrophobicContact CG-CD1 3.84Å; L104-L113 HydrophobicContact CG-CD2 3.66Å; L104-L113 HydrophobicContact CG-CG 4.39Å; L104-A117 HydrophobicContact CD1-CB 3.77Å
105N97Very high96.7Very high66 Ų6676.4 Ų76.435%0.35337%0.368SS..EExtended strand (participates in β ladder)trans-80.5144.5-169.1-70.9-24.8000112.5K114 Y116N105-K114 VanDerWaalsContact O-CB 3.24Å; N105-K114 WeakPolarHBondContact O-CB 3.32Å; N105-K114 PolarHBondContact O-N 3.38Å; N105-Y116 HydrophobicContact CB-CE2 4.33Å; N105-Y116 PolarHBondContact ND2-OH 2.93Å
106L96.6Very high96.7Very high96 Ų9670.9 Ų70.950%0.50334%0.34SS..EExtended strand (participates in β ladder)trans-92.8146.4178.9-55.4-176.7000112.8R108 Y112 L113L106-R108 PolarHBondContact O-N 2.98Å; L106-Y112 CarbonylContact C-O 3.53Å; L106-Y112 WeakPolarHBondContact CA-O 3.22Å; L106-L113 HydrophobicContact CD2-CD2 3.5Å; L106-L113 VanDerWaalsContact CD2-CD2 3.5Å
107D96.2Very high96.7Very high20 Ų2068.6 Ų68.611%0.10733%0.33CS..  trans-67.2115.6160.8-175.1-66.6000109.8R109 T110 G111 Y112 K114D107-R109 PolarHBondContact O-N 3.41Å; D107-R109 WeakPolarHBondContact OD1-CA 3.43Å; D107-R109 WeakPolarHBondContact OD1-CB 3.09Å; D107-R109 PolarHBondContact OD1-N 2.78Å; D107-T110 WeakPolarHBondContact CB-OG1 3.36Å; D107-T110 PolarHBondContact O-N 3.35Å; D107-T110 PolarHBondContact OD1-N 3.44Å; D107-G111 WeakPolarHBondContact O-CA 3.39Å; D107-G111 PolarHBondContact O-N 3.37Å; D107-Y112 PolarHBondContact N-O 2.91Å; D107-K114 HydrophobicContact CB-CD 4.06Å; D107-K114 IonicContact OD2-NZ 2.65Å; D107-K114 PolarHBondContact OD2-NZ 2.88Å
108R95.8Very high96.8Very high242 Ų24269.7 Ų69.791%0.91333%0.332SS*.THydrogen-bonded Turntrans-65.2-13.3-173.4-60.4-59.9-62.5-106.4-1.1114.6L106L106-R108 PolarHBondContact O-N 2.98Å
109R95.3Very high96.9Very high207 Ų20763.9 Ų63.978%0.78130%0.304SS*.THydrogen-bonded Turntrans-99.8-43.9-179.9177.2179.556.9807.3111.8D107D107-R109 PolarHBondContact O-N 3.41Å; D107-R109 WeakPolarHBondContact OD1-CA 3.43Å; D107-R109 WeakPolarHBondContact OD1-CB 3.09Å; D107-R109 PolarHBondContact OD1-N 2.78Å
110T95.7Very high96.9Very high62 Ų6263.4 Ų63.438%0.3830%0.301SS..THydrogen-bonded Turntrans-90.9-27.9-176.463.10000113D107 Y112D107-T110 WeakPolarHBondContact CB-OG1 3.36Å; D107-T110 PolarHBondContact O-N 3.35Å; D107-T110 PolarHBondContact OD1-N 3.44Å; T110-Y112 VanDerWaalsContact C-N 3.27Å; T110-Y112 PolarHBondContact OG1-N 3.04Å
111G95.1Very high96.9Very high49 Ų4959.2 Ų59.251%0.50528%0.283SS..SBendtrans85.1-8.6-173.400000114.4D107D107-G111 WeakPolarHBondContact O-CA 3.39Å; D107-G111 PolarHBondContact O-N 3.37Å
112Y95.8Very high96.9Very high106 Ų10660.6 Ų60.642%0.41629%0.287SS..SBendtrans-76.1172.6172.3-69-66.5000111.8E82 E83 L106 D107 T110E82-Y112 HydrophobicContact CG-CD1 4.45Å; E82-Y112 HydrophobicContact CG-CG 4.43Å; E82-Y112 WeakPolarHBondContact O-CB 3.45Å; E83-Y112 HydrophobicContact CG-CD1 4.13Å; E83-Y112 HydrophobicContact CG-CE1 3.9Å; L106-Y112 CarbonylContact C-O 3.53Å; L106-Y112 WeakPolarHBondContact CA-O 3.22Å; D107-Y112 PolarHBondContact N-O 2.91Å; T110-Y112 VanDerWaalsContact C-N 3.27Å; T110-Y112 PolarHBondContact OG1-N 3.04Å
113L96.6Very high96.9Very high19 Ų1962.4 Ų62.410%0.09930%0.299CS..EExtended strand (participates in β ladder)trans-62.6150.3174-62.3-167.8000112.1V80 H81 E82 A84 L104 L106 G115V80-L113 HydrophobicContact CG1-CD1 3.68Å; H81-L113 WeakPolarHBondContact O-CD1 3.45Å; E82-L113 PolarHBondContact O-N 3.39Å; A84-L113 HydrophobicContact CB-CD1 3.85Å; A84-L113 WeakPolarHBondContact O-CD1 3.43Å; A84-L113 WeakPolarHBondContact O-CG 3.33Å; L104-L113 HydrophobicContact CD1-CD1 3.72Å; L104-L113 HydrophobicContact CD1-CD2 4.35Å; L104-L113 HydrophobicContact CD2-CD1 3.85Å; L104-L113 HydrophobicContact CD2-CD2 3.92Å; L104-L113 HydrophobicContact CG-CD1 3.84Å; L104-L113 HydrophobicContact CG-CD2 3.66Å; L104-L113 HydrophobicContact CG-CG 4.39Å; L106-L113 HydrophobicContact CD2-CD2 3.5Å; L106-L113 VanDerWaalsContact CD2-CD2 3.5Å; L113-G115 PolarHBondContact O-N 2.81Å
114K96.4Very high96.9Very high45 Ų4562.4 Ų62.420%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-74.2-12.8177.6-162.347.6162.3172.90113.7E52 Y54 N105 D107 Y116E52-K114 WeakPolarHBondContact OE1-CE 3.42Å; E52-K114 IonicContact OE1-NZ 3.75Å; E52-K114 PolarHBondContact OE1-NZ 3.37Å; E52-K114 WeakPolarHBondContact OE2-CE 3.43Å; E52-K114 IonicContact OE2-NZ 2.85Å; E52-K114 PolarHBondContact OE2-NZ 3.37Å; Y54-K114 PolarHBondContact OH-O 2.8Å; Y54-K114 VanDerWaalsContact OH-O 3.09Å; N105-K114 VanDerWaalsContact O-CB 3.24Å; N105-K114 WeakPolarHBondContact O-CB 3.32Å; N105-K114 PolarHBondContact O-N 3.38Å; D107-K114 HydrophobicContact CB-CD 4.06Å; D107-K114 IonicContact OD2-NZ 2.65Å; D107-K114 PolarHBondContact OD2-NZ 2.88Å; K114-Y116 HydrophobicContact CB-CD1 3.95Å; K114-Y116 HydrophobicContact CB-CE1 3.8Å; K114-Y116 HydrophobicContact CG-CD1 3.81Å; K114-Y116 HydrophobicContact CG-CE1 3.43Å; K114-Y116 VanDerWaalsContact CG-CE1 3.43Å
115G96.1Very high96.9Very high16 Ų1669 Ų6917%0.16532%0.324CS..EExtended strand (participates in β ladder)trans91.310.8-179.100000114.8G79 V80 L113G79-G115 PolarHBondContact N-O 2.97Å; V80-G115 PolarHBondContact N-O 2.78Å; V80-G115 VanDerWaalsContact N-O 3.14Å; V80-G115 WeakPolarHBondContact O-CA 3.44Å; L113-G115 PolarHBondContact O-N 2.81Å
116Y97.8Very high97Very high50 Ų5068.2 Ų68.220%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-137.4158.6171.773.9-92.2000112.1Y54 F76 V77 N105 K114Y54-Y116 AromaticContact CE1-CD1 3.79Å; Y54-Y116 HydrophobicContact CE1-CD1 3.79Å; Y54-Y116 HydrophobicContact CE1-CE1 4.25Å; Y54-Y116 HydrophobicContact CE1-CG 4.46Å; Y54-Y116 AromaticContact CZ-CD1 3.86Å; Y54-Y116 VanDerWaalsContact OH-CD1 3.31Å; Y54-Y116 WeakPolarHBondContact OH-CD1 3.48Å; F76-Y116 HydrophobicContact CD2-CD2 4.45Å; F76-Y116 AromaticContact CE2-CD2 3.68Å; F76-Y116 HydrophobicContact CE2-CD2 3.68Å; F76-Y116 HydrophobicContact CE2-CE2 4.44Å; F76-Y116 AromaticContact CE2-CG 3.93Å; F76-Y116 HydrophobicContact CE2-CG 3.93Å; F76-Y116 HydrophobicContact CZ-CG 4.36Å; V77-Y116 CarbonylContact O-C 3.59Å; V77-Y116 WeakPolarHBondContact O-CA 3.24Å; V77-Y116 VanDerWaalsContact O-CB 3.24Å; V77-Y116 WeakPolarHBondContact O-CB 2.94Å; N105-Y116 HydrophobicContact CB-CE2 4.33Å; N105-Y116 PolarHBondContact ND2-OH 2.93Å; K114-Y116 HydrophobicContact CB-CD1 3.95Å; K114-Y116 HydrophobicContact CB-CE1 3.8Å; K114-Y116 HydrophobicContact CG-CD1 3.81Å; K114-Y116 HydrophobicContact CG-CE1 3.43Å; K114-Y116 VanDerWaalsContact CG-CE1 3.43Å
117A97.9Very high97Very high0 Ų063.6 Ų63.60%029%0.294CS..EExtended strand (participates in β ladder)trans-137.7155.4172.100000111.4V77 V80 H103 L104V77-A117 HydrophobicContact CB-CB 4.24Å; V77-A117 PolarHBondContact N-O 3.47Å; V77-A117 PolarHBondContact O-N 2.81Å; V80-A117 HydrophobicContact CG2-CB 4.39Å; H103-A117 CarbonylContact O-C 3.58Å; H103-A117 WeakPolarHBondContact O-CA 3.4Å; L104-A117 HydrophobicContact CD1-CB 3.77Å
118L98.4Very high97.1Very high43 Ų4365.7 Ų65.723%0.22530%0.303CS..EExtended strand (participates in β ladder)trans-111.7126.9166.2-59.6169.2000108.5I74 L75 F76 L102 H103I74-L118 HydrophobicContact CG2-CB 4.14Å; I74-L118 HydrophobicContact CG2-CD2 3.92Å; L75-L118 WeakPolarHBondContact O-CA 3.35Å; F76-L118 HydrophobicContact CB-CD2 4.42Å; F76-L118 HydrophobicContact CD2-CD2 3.66Å; F76-L118 HydrophobicContact CE2-CD2 4.48Å; L102-L118 CarbonylContact C-O 3.53Å; L102-L118 WeakPolarHBondContact CA-O 3.16Å; H103-L118 HydrophobicContact CB-CB 4.13Å; H103-L118 HydrophobicContact CB-CD1 4.39Å; H103-L118 PolarHBondContact N-O 2.97Å; H103-L118 PolarHBondContact O-N 3.2Å
119V98.4Very high97.2Very high0 Ų056 Ų560%028%0.275CS..EExtended strand (participates in β ladder)trans-121.1123.5178.4-176.60000108.5I74 L75 V77 I89 F93 I99 Y121I74-V119 CarbonylContact C-O 3.59Å; I74-V119 WeakPolarHBondContact CA-O 3.47Å; L75-V119 PolarHBondContact N-O 3.45Å; L75-V119 PolarHBondContact O-N 3.35Å; V77-V119 HydrophobicContact CG2-CG2 4.14Å; I89-V119 HydrophobicContact CG2-CG2 4.06Å; F93-V119 HydrophobicContact CB-CG1 4.3Å; F93-V119 HydrophobicContact CD1-CB 4.21Å; F93-V119 HydrophobicContact CD1-CG1 3.91Å; F93-V119 HydrophobicContact CD1-CG2 4.06Å; F93-V119 HydrophobicContact CE1-CB 4.46Å; F93-V119 HydrophobicContact CE1-CG2 4.18Å; F93-V119 HydrophobicContact CG-CG1 4.29Å; F93-V119 HydrophobicContact CG-CG2 4.27Å; I99-V119 HydrophobicContact CG1-CG1 4.27Å; I99-V119 HydrophobicContact CG2-CG1 4.11Å; V119-Y121 HydrophobicContact CG1-CD2 4.42Å; V119-Y121 HydrophobicContact CG1-CE2 3.87Å
120E98.5Very high97.3Very high16 Ų1646.2 Ų46.28%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-107.7127.1-179.6-171.6167.9-15900111.3G72 W73 I74 K100 N101G72-E120 VanDerWaalsContact CA-OE1 3.32Å; G72-E120 WeakPolarHBondContact CA-OE1 3.46Å; G72-E120 PolarHBondContact N-OE1 2.96Å; W73-E120 WeakPolarHBondContact O-CA 3.23Å; I74-E120 HydrophobicContact CG1-CB 4Å; I74-E120 HydrophobicContact CG1-CG 3.86Å; K100-E120 HydrophobicContact CB-CB 4.49Å; K100-E120 HydrophobicContact CB-CG 4.35Å; K100-E120 PolarHBondContact N-O 2.95Å; N101-E120 HydrophobicContact CB-CB 3.95Å; N101-E120 PolarHBondContact O-N 2.75Å
121Y98.6Very high97.4Very high0 Ų044.5 Ų44.50%023%0.226CC..EExtended strand (participates in β ladder)trans-109.5156.7169.3-69.1-81.8000111.3G72 W73 L75 F93 E98 I99 V119 E126 A127 A130G72-Y121 CarbonylContact C-O 3.46Å; G72-Y121 WeakPolarHBondContact CA-O 3.43Å; W73-Y121 PolarHBondContact N-O 3.19Å; W73-Y121 PolarHBondContact O-N 3.22Å; L75-Y121 HydrophobicContact CD1-CD2 4.3Å; L75-Y121 HydrophobicContact CD1-CE2 3.96Å; F93-Y121 WeakPolarHBondContact CB-OH 3.48Å; F93-Y121 HydrophobicContact CD1-CE2 4.38Å; F93-Y121 PolarHBondContact O-OH 3.29Å; E98-Y121 WeakPolarHBondContact O-CD1 3.48Å; I99-Y121 HydrophobicContact CG1-CE1 4.12Å; V119-Y121 HydrophobicContact CG1-CD2 4.42Å; V119-Y121 HydrophobicContact CG1-CE2 3.87Å; Y121-E126 HydrophobicContact CD1-CB 3.76Å; Y121-E126 HydrophobicContact CE1-CB 4.41Å; Y121-E126 HydrophobicContact CG-CB 3.91Å; Y121-A127 HydrophobicContact CD2-CB 3.93Å; Y121-A127 HydrophobicContact CG-CB 4.46Å; Y121-A130 HydrophobicContact CE2-CB 3.71Å
122E97.3Very high97.5Very high98 Ų9848.8 Ų48.846%0.45823%0.233SC..SBendtrans-67.8-43.8175.6-166.6171.5157.200111.8K100K100-E122 WeakPolarHBondContact CE-OE2 3.38Å; K100-E122 HydrophobicContact CG-CB 4.28Å; K100-E122 IonicContact NZ-OE2 3.7Å; K100-E122 PolarHBondContact NZ-OE2 2.7Å
123T97.2Very high97.6Very high55 Ų5545 Ų4534%0.33723%0.226SC..SBendtrans-111.2150.1-171.476.30000113.3K125 E126 A127T123-K125 PolarHBondContact O-N 2.79Å; T123-E126 WeakPolarHBondContact CB-OE2 3.43Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.43Å; T123-E126 PolarHBondContact N-OE2 3.26Å; T123-E126 PolarHBondContact O-N 3.03Å; T123-E126 WeakPolarHBondContact OG1-CG 3.47Å; T123-E126 PolarHBondContact OG1-N 2.85Å; T123-E126 PolarHBondContact OG1-OE2 2.89Å; T123-A127 PolarHBondContact O-N 2.99Å
124Y97.1Very high97.6Very high91 Ų9144.6 Ų44.636%0.35722%0.224SC..Hα-helixtrans-57.5-37.9174.2176.5-98.9000111.7P66 W73 A127 Q128 W148P66-Y124 HydrophobicContact CG-CD2 4.44Å; P66-Y124 HydrophobicContact CG-CE2 3.59Å; W73-Y124 AromaticContact CD2-CD2 3.99Å; W73-Y124 HydrophobicContact CD2-CD2 3.99Å; W73-Y124 AromaticContact CE3-CD2 3.8Å; W73-Y124 HydrophobicContact CE3-CD2 3.8Å; W73-Y124 AromaticContact CH2-CD2 3.67Å; W73-Y124 HydrophobicContact CH2-CD2 3.67Å; W73-Y124 HydrophobicContact CH2-CE2 4.42Å; W73-Y124 HydrophobicContact CH2-CG 4.44Å; W73-Y124 AromaticContact CZ2-CD2 3.87Å; W73-Y124 HydrophobicContact CZ2-CD2 3.87Å; W73-Y124 HydrophobicContact CZ2-CG 4.25Å; W73-Y124 AromaticContact CZ3-CD2 3.65Å; W73-Y124 HydrophobicContact CZ3-CD2 3.65Å; W73-Y124 HydrophobicContact CZ3-CE2 4.2Å; Y124-A127 PolarHBondContact O-N 3.36Å; Y124-Q128 HydrophobicContact CE1-CB 4.24Å; Y124-Q128 HydrophobicContact CE1-CG 4.49Å; Y124-Q128 VanDerWaalsContact O-CB 3.32Å; Y124-Q128 WeakPolarHBondContact O-CB 3.43Å; Y124-Q128 PolarHBondContact O-N 2.96Å; Y124-Q128 PolarHBondContact OH-OE1 3.05Å; Y124-W148 AromaticContact CD2-CH2 3.72Å; Y124-W148 HydrophobicContact CD2-CH2 3.72Å; Y124-W148 HydrophobicContact CD2-CZ2 4.28Å; Y124-W148 HydrophobicContact CD2-CZ3 4.42Å; Y124-W148 AromaticContact CE2-CH2 3.45Å; Y124-W148 HydrophobicContact CE2-CH2 3.45Å; Y124-W148 VanDerWaalsContact CE2-CH2 3.45Å; Y124-W148 AromaticContact CE2-CZ2 3.53Å; Y124-W148 HydrophobicContact CE2-CZ2 3.53Å; Y124-W148 HydrophobicContact CE2-CZ3 4.4Å; Y124-W148 AromaticContact CZ-CZ2 4Å
125K97.7Very high97.7Very high169 Ų16946.1 Ų46.174%0.73523%0.234SC*.Hα-helixtrans-67-42.8-175.1-173.7-176.1175.7-169.20111.6T123 A129T123-K125 PolarHBondContact O-N 2.79Å; K125-A129 VanDerWaalsContact O-CB 3.26Å; K125-A129 WeakPolarHBondContact O-CB 3.01Å; K125-A129 PolarHBondContact O-N 3.45Å
126E98Very high97.7Very high48 Ų4847.6 Ų47.622%0.22425%0.249CC..Hα-helixtrans-64.9-48.3177-66.8160.3147.500110.5F96 Y121 T123 Q128 A129 A130F96-E126 WeakPolarHBondContact O-CB 3.48Å; F96-E126 WeakPolarHBondContact O-CG 3.33Å; Y121-E126 HydrophobicContact CD1-CB 3.76Å; Y121-E126 HydrophobicContact CE1-CB 4.41Å; Y121-E126 HydrophobicContact CG-CB 3.91Å; T123-E126 WeakPolarHBondContact CB-OE2 3.43Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.43Å; T123-E126 PolarHBondContact N-OE2 3.26Å; T123-E126 PolarHBondContact O-N 3.03Å; T123-E126 WeakPolarHBondContact OG1-CG 3.47Å; T123-E126 PolarHBondContact OG1-N 2.85Å; T123-E126 PolarHBondContact OG1-OE2 2.89Å; E126-Q128 PolarHBondContact O-N 3.39Å; E126-A129 PolarHBondContact O-N 3.22Å; E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.4Å
127A97.8Very high97.6Very high0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-62-43.7178.500000112.7W73 L75 Y121 T123 Y124 A130 M131 W148W73-A127 HydrophobicContact CB-CB 3.76Å; L75-A127 HydrophobicContact CD1-CB 4.46Å; L75-A127 WeakPolarHBondContact CD1-O 3.34Å; L75-A127 HydrophobicContact CD2-CB 4.16Å; L75-A127 HydrophobicContact CG-CB 4.25Å; Y121-A127 HydrophobicContact CD2-CB 3.93Å; Y121-A127 HydrophobicContact CG-CB 4.46Å; T123-A127 PolarHBondContact O-N 2.99Å; Y124-A127 PolarHBondContact O-N 3.36Å; A127-A130 PolarHBondContact O-N 3.5Å; A127-M131 WeakPolarHBondContact O-CB 3.14Å; A127-M131 PolarHBondContact O-N 2.82Å; A127-W148 HydrophobicContact CB-CH2 4.02Å; A127-W148 HydrophobicContact CB-CZ3 3.68Å
128Q97.7Very high97.4Very high63 Ų6355 Ų5529%0.29429%0.289SS..Hα-helixtrans-65.4-42177.3-165.1-167.3-8500111.3Y124 E126 M131 E132 W148Y124-Q128 HydrophobicContact CE1-CB 4.24Å; Y124-Q128 HydrophobicContact CE1-CG 4.49Å; Y124-Q128 VanDerWaalsContact O-CB 3.32Å; Y124-Q128 WeakPolarHBondContact O-CB 3.43Å; Y124-Q128 PolarHBondContact O-N 2.96Å; Y124-Q128 PolarHBondContact OH-OE1 3.05Å; E126-Q128 PolarHBondContact O-N 3.39Å; Q128-M131 PolarHBondContact O-N 2.81Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.48Å; Q128-E132 PolarHBondContact NE2-OE1 2.9Å; Q128-E132 WeakPolarHBondContact O-CG 3.33Å; Q128-E132 PolarHBondContact O-N 2.78Å; Q128-W148 HydrophobicContact CB-CH2 4.08Å; Q128-W148 HydrophobicContact CB-CZ2 4.13Å; Q128-W148 HydrophobicContact CG-CZ2 4.25Å
129A98Very high97.1Very high40 Ų4053.6 Ų53.633%0.33128%0.281SS..Hα-helixtrans-63.1-42.7177.200000111.9F96 K125 E126 E132 G133F96-A129 HydrophobicContact CD1-CB 4.06Å; F96-A129 WeakPolarHBondContact CD1-O 3.43Å; F96-A129 WeakPolarHBondContact CE1-O 3.18Å; K125-A129 VanDerWaalsContact O-CB 3.26Å; K125-A129 WeakPolarHBondContact O-CB 3.01Å; K125-A129 PolarHBondContact O-N 3.45Å; E126-A129 PolarHBondContact O-N 3.22Å; A129-E132 PolarHBondContact O-N 3.12Å; A129-G133 PolarHBondContact O-N 2.84Å
130A98.2Very high96.8Very high0 Ų058.1 Ų58.10%030%0.304CS..Hα-helixtrans-61.8-44.2175.200000111.8L75 F93 F96 Y121 E126 A127 G133 L134L75-A130 HydrophobicContact CD1-CB 3.86Å; F93-A130 HydrophobicContact CD1-CB 4.36Å; F96-A130 HydrophobicContact CB-CB 3.7Å; F96-A130 HydrophobicContact CD1-CB 4.38Å; F96-A130 HydrophobicContact CD2-CB 3.94Å; F96-A130 VanDerWaalsContact CG-CA 3.46Å; F96-A130 HydrophobicContact CG-CB 3.73Å; Y121-A130 HydrophobicContact CE2-CB 3.71Å; E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.4Å; A127-A130 PolarHBondContact O-N 3.5Å; A130-G133 PolarHBondContact O-N 2.79Å; A130-L134 WeakPolarHBondContact O-CB 3.5Å; A130-L134 WeakPolarHBondContact O-CG 3.39Å; A130-L134 PolarHBondContact O-N 3.03Å
131M97.3Very high96.6Very high27 Ų2760.8 Ų60.813%0.13334%0.336CS..Hα-helixtrans-58.7-53175.6179.7-174.6-61.500111.9L75 A127 Q128 G133 N135 V146 D147 W148L75-M131 HydrophobicContact CD2-CB 4.32Å; L75-M131 HydrophobicContact CD2-CE 3.49Å; L75-M131 VanDerWaalsContact CD2-CE 3.49Å; A127-M131 WeakPolarHBondContact O-CB 3.14Å; A127-M131 PolarHBondContact O-N 2.82Å; Q128-M131 PolarHBondContact O-N 2.81Å; M131-G133 VanDerWaalsContact C-N 3.3Å; M131-G133 PolarHBondContact O-N 2.95Å; M131-N135 WeakPolarHBondContact O-CB 3.42Å; M131-N135 PolarHBondContact O-N 3.42Å; M131-V146 HydrophobicContact CB-CG1 4.22Å; M131-V146 HydrophobicContact CG-CG1 4.36Å; M131-V146 WeakPolarHBondContact CG-O 2.95Å; M131-D147 VanDerWaalsContact CE-C 3.46Å; M131-W148 HydrophobicContact CE-CB 4.27Å; M131-W148 HydrophobicContact CE-CD2 3.35Å; M131-W148 HydrophobicContact CE-CE3 3.97Å; M131-W148 HydrophobicContact CE-CG 3.49Å; M131-W148 VanDerWaalsContact CE-CG 3.49Å; M131-W148 HydrophobicContact CE-CZ2 3.99Å; M131-W148 VanDerWaalsContact CE-N 3.32Å
132E97.2Very high96.3Very high138 Ų13864.5 Ų64.565%0.64535%0.353SS*.Hα-helixtrans-63.9-35.4-179.2-70.8173.9-160.400112.4Q128 A129Q128-E132 WeakPolarHBondContact CG-OE1 3.48Å; Q128-E132 PolarHBondContact NE2-OE1 2.9Å; Q128-E132 WeakPolarHBondContact O-CG 3.33Å; Q128-E132 PolarHBondContact O-N 2.78Å; A129-E132 PolarHBondContact O-N 3.12Å
133G97.3Very high96.3Very high27 Ų2763.5 Ų63.528%0.27836%0.355SS..Hα-helixtrans-78.4-34.5-178.900000114.3A129 A130 M131 Q137A129-G133 PolarHBondContact O-N 2.84Å; A130-G133 PolarHBondContact O-N 2.79Å; M131-G133 VanDerWaalsContact C-N 3.3Å; M131-G133 PolarHBondContact O-N 2.95Å; G133-Q137 WeakPolarHBondContact O-CG 3.32Å; G133-Q137 PolarHBondContact O-NE2 3.44Å
134L97.7Very high96.3Very high10 Ų1060.9 Ų60.95%0.05234%0.339CS..Hα-helixtrans-107.1-18.3-169.8-61.7179.3000114.8K92 F93 F96 A130 G136 Q137 I144 V146K92-L134 HydrophobicContact CD-CD2 4.12Å; K92-L134 HydrophobicContact CG-CD1 4.46Å; K92-L134 HydrophobicContact CG-CD2 3.79Å; F93-L134 HydrophobicContact CB-CD1 4.48Å; F93-L134 HydrophobicContact CD1-CD1 3.62Å; F93-L134 HydrophobicContact CD2-CD1 3.71Å; F93-L134 HydrophobicContact CE1-CD1 3.61Å; F93-L134 HydrophobicContact CE2-CD1 3.71Å; F93-L134 HydrophobicContact CG-CD1 3.67Å; F93-L134 HydrophobicContact CZ-CD1 3.65Å; F96-L134 HydrophobicContact CD2-CD1 4.01Å; F96-L134 HydrophobicContact CD2-CG 4.29Å; F96-L134 HydrophobicContact CE2-CD1 3.61Å; F96-L134 HydrophobicContact CE2-CD2 3.72Å; F96-L134 HydrophobicContact CE2-CG 3.48Å; F96-L134 VanDerWaalsContact CE2-CG 3.48Å; F96-L134 HydrophobicContact CZ-CD1 4.49Å; F96-L134 HydrophobicContact CZ-CD2 4.06Å; F96-L134 HydrophobicContact CZ-CG 3.89Å; A130-L134 WeakPolarHBondContact O-CB 3.5Å; A130-L134 WeakPolarHBondContact O-CG 3.39Å; A130-L134 PolarHBondContact O-N 3.03Å; L134-G136 PolarHBondContact O-N 2.91Å; L134-Q137 HydrophobicContact CD2-CG 4.4Å; L134-Q137 WeakPolarHBondContact O-CB 3.35Å; L134-Q137 PolarHBondContact O-N 3.22Å; L134-I144 HydrophobicContact CB-CD1 4.49Å; L134-V146 HydrophobicContact CB-CG2 4.07Å
135N97.3Very high96.3Very high78 Ų7859 Ų5942%0.41734%0.339SS..THydrogen-bonded Turntrans-63121.9177.8-171.226.9000110.8M131 Q137 S145 V146M131-N135 WeakPolarHBondContact O-CB 3.42Å; M131-N135 PolarHBondContact O-N 3.42Å; N135-Q137 VanDerWaalsContact C-N 3.33Å; N135-S145 WeakPolarHBondContact OD1-CA 3.38Å; N135-V146 HydrophobicContact CB-CB 4.15Å; N135-V146 PolarHBondContact OD1-N 3.26Å
136G96.2Very high96.3Very high46 Ų4651 Ų5147%0.47430%0.304SS..THydrogen-bonded Turntrans82.50.6-176.100000115.1L134 I144L134-G136 PolarHBondContact O-N 2.91Å; G136-I144 VanDerWaalsContact CA-O 3.28Å; G136-I144 WeakPolarHBondContact CA-O 3.48Å; G136-I144 PolarHBondContact N-O 3.08Å
137Q95.9Very high96.3Very high98 Ų9852.4 Ų52.446%0.45831%0.313SS..  trans-73.9146.8177.7-68-65.6-17.700112G133 L134 N135 I144G133-Q137 WeakPolarHBondContact O-CG 3.32Å; G133-Q137 PolarHBondContact O-NE2 3.44Å; L134-Q137 HydrophobicContact CD2-CG 4.4Å; L134-Q137 WeakPolarHBondContact O-CB 3.35Å; L134-Q137 PolarHBondContact O-N 3.22Å; N135-Q137 VanDerWaalsContact C-N 3.33Å; Q137-I144 WeakPolarHBondContact O-CG1 3.43Å; Q137-I144 PolarHBondContact O-N 2.61Å
138D94.5Very high96.2Very high108 Ų10854.9 Ų54.958%0.57832%0.323SS*.EExtended strand (participates in β ladder)trans-72.5137174.5-76.3-78.6000112.3K92K92-D138 PolarHBondContact NZ-O 2.69Å
139M91Very high96.1Very high13 Ų1353 Ų536%0.06432%0.32CS..EExtended strand (participates in β ladder)trans-134.1117.7170.3-177.1179.8-82.600108.2V80 I89 K92 G141 Q142 I144V80-M139 HydrophobicContact CG1-SD 4.45Å; I89-M139 HydrophobicContact CD1-CE 3.52Å; I89-M139 HydrophobicContact CD1-SD 3.49Å; I89-M139 WeakPolarHBondContact CD1-SD 3.46Å; K92-M139 HydrophobicContact CB-CE 4.18Å; K92-M139 HydrophobicContact CD-CE 3.39Å; K92-M139 HydrophobicContact CG-CE 4.42Å; M139-G141 PolarHBondContact O-N 2.75Å; M139-G141 VanDerWaalsContact O-N 3.11Å; M139-Q142 PolarHBondContact N-O 3.46Å; M139-Q142 PolarHBondContact O-N 2.84Å; M139-Q142 VanDerWaalsContact O-O 3.08Å; M139-I144 HydrophobicContact CB-CG2 3.79Å; M139-I144 HydrophobicContact CE-CD1 4.18Å; M139-I144 HydrophobicContact SD-CG2 4.19Å
140M92.7Very high96Very high95 Ų9556 Ų5647%0.46833%0.326SS..THydrogen-bonded Turntrans51.334.2-176.4-57.3-179.17400113.8H81 E83 A84H81-M140 HydrophobicContact CB-CB 3.86Å; H81-M140 HydrophobicContact CB-CG 4.37Å; H81-M140 HydrophobicContact CB-SD 3.95Å; E83-M140 HydrophobicContact CB-CE 4.48Å; A84-M140 HydrophobicContact CB-SD 3.78Å
141G93.3Very high95.7Very high72 Ų7259.4 Ų59.474%0.74235%0.347SS*.THydrogen-bonded Turntrans80.410.8-179.800000115.3M139M139-G141 PolarHBondContact O-N 2.75Å; M139-G141 VanDerWaalsContact O-N 3.11Å
142Q93.5Very high95.3Very high79 Ų7965.1 Ų65.137%0.36937%0.367SS..EExtended strand (participates in β ladder)trans-122.8132.5172.8-174.2172.8-36.200110.2G79 M139G79-Q142 PolarHBondContact O-NE2 3Å; M139-Q142 PolarHBondContact N-O 3.46Å; M139-Q142 PolarHBondContact O-N 2.84Å; M139-Q142 VanDerWaalsContact O-O 3.08Å
143P96.5Very high94.4Very high76 Ų7661.2 Ų61.249%0.49436%0.363SS..EExtended strand (participates in β ladder)trans-69.8135.2175.128.3-34.3000110.5
144I97.5Very high93.3Very high0 Ų064.6 Ų64.60%038%0.38CS..  trans-96146171.666.4178.6000110.4V77 T78 K92 F93 L134 G136 Q137 M139 V146V77-I144 HydrophobicContact CG1-CB 4.23Å; V77-I144 HydrophobicContact CG1-CD1 4.25Å; T78-I144 CarbonylContact O-C 3.57Å; T78-I144 VanDerWaalsContact O-CA 3.31Å; T78-I144 WeakPolarHBondContact O-CA 3.47Å; K92-I144 HydrophobicContact CD-CD1 4.33Å; F93-I144 HydrophobicContact CE2-CD1 4.23Å; F93-I144 HydrophobicContact CZ-CD1 4.39Å; L134-I144 HydrophobicContact CB-CD1 4.49Å; G136-I144 VanDerWaalsContact CA-O 3.28Å; G136-I144 WeakPolarHBondContact CA-O 3.48Å; G136-I144 PolarHBondContact N-O 3.08Å; Q137-I144 WeakPolarHBondContact O-CG1 3.43Å; Q137-I144 PolarHBondContact O-N 2.61Å; M139-I144 HydrophobicContact CB-CG2 3.79Å; M139-I144 HydrophobicContact CE-CD1 4.18Å; M139-I144 HydrophobicContact SD-CG2 4.19Å; I144-V146 HydrophobicContact CD1-CG2 4.24Å; I144-V146 HydrophobicContact CG1-CG2 4.32Å
145S97.5Very high91.8Very high52 Ų5268.7 Ų68.736%0.36441%0.408SS..EExtended strand (participates in β ladder)trans-107.8136.2168.9-61.20000109.3V77 T78 N135V77-S145 CarbonylContact C-O 3.54Å; V77-S145 WeakPolarHBondContact CA-O 3.39Å; T78-S145 PolarHBondContact N-O 3.25Å; T78-S145 PolarHBondContact O-N 3.19Å; T78-S145 WeakPolarHBondContact OG1-CB 3.17Å; N135-S145 WeakPolarHBondContact OD1-CA 3.38Å
146V97.7Very high90.3Very high0 Ų074 Ų740%043%0.427CS..EExtended strand (participates in β ladder)trans-126119.5-176.7-173.90000108.7L75 V77 F93 M131 L134 N135 I144L75-V146 HydrophobicContact CB-CG1 4.17Å; L75-V146 HydrophobicContact CD1-CG1 3.9Å; L75-V146 HydrophobicContact CG-CG1 4.44Å; V77-V146 HydrophobicContact CG1-CG2 4.3Å; V77-V146 HydrophobicContact CG2-CG1 4.4Å; V77-V146 HydrophobicContact CG2-CG2 4.41Å; F93-V146 HydrophobicContact CE1-CG1 4.37Å; F93-V146 HydrophobicContact CZ-CG2 4.06Å; M131-V146 HydrophobicContact CB-CG1 4.22Å; M131-V146 HydrophobicContact CG-CG1 4.36Å; M131-V146 WeakPolarHBondContact CG-O 2.95Å; L134-V146 HydrophobicContact CB-CG2 4.07Å; N135-V146 HydrophobicContact CB-CB 4.15Å; N135-V146 PolarHBondContact OD1-N 3.26Å; I144-V146 HydrophobicContact CD1-CG2 4.24Å; I144-V146 HydrophobicContact CG1-CG2 4.32Å
147D97.1Very high88.4Confident79 Ų7975.3 Ų75.342%0.42243%0.429SS..EExtended strand (participates in β ladder)trans-131.4169.9-178.6-69.2-67.1000111L75 F76 M131 G149L75-D147 CarbonylContact C-O 3.45Å; L75-D147 VanDerWaalsContact CA-O 3.31Å; L75-D147 WeakPolarHBondContact CA-O 3.47Å; F76-D147 PolarHBondContact N-O 3.39Å; F76-D147 PolarHBondContact O-N 3.11Å; M131-D147 VanDerWaalsContact CE-C 3.46Å; D147-G149 PolarHBondContact O-N 2.9Å
148W97Very high86.4Confident51 Ų5179.9 Ų79.919%0.19345%0.447CS..EExtended strand (participates in β ladder)trans-67.3130.7171.3-66.5111000109.8P66 W73 L75 Y124 A127 Q128 M131 F150P66-W148 HydrophobicContact CB-CB 4.19Å; P66-W148 HydrophobicContact CB-CD2 3.33Å; P66-W148 HydrophobicContact CB-CE3 3.71Å; P66-W148 HydrophobicContact CB-CG 3.54Å; P66-W148 HydrophobicContact CB-CH2 4.49Å; P66-W148 HydrophobicContact CB-CZ2 4.19Å; P66-W148 HydrophobicContact CB-CZ3 4.27Å; P66-W148 HydrophobicContact CG-CD2 3.9Å; P66-W148 HydrophobicContact CG-CE3 4.39Å; P66-W148 HydrophobicContact CG-CG 4.31Å; P66-W148 HydrophobicContact CG-CH2 4.35Å; P66-W148 HydrophobicContact CG-CZ2 3.84Å; W73-W148 HydrophobicContact CB-CZ3 4.27Å; W73-W148 HydrophobicContact CE3-CE3 4.48Å; W73-W148 AromaticContact CE3-CZ3 4Å; W73-W148 HydrophobicContact CE3-CZ3 4Å; L75-W148 HydrophobicContact CD2-CD2 4.45Å; L75-W148 HydrophobicContact CD2-CE3 3.84Å; L75-W148 HydrophobicContact CD2-CZ3 4.02Å; Y124-W148 AromaticContact CD2-CH2 3.72Å; Y124-W148 HydrophobicContact CD2-CH2 3.72Å; Y124-W148 HydrophobicContact CD2-CZ2 4.28Å; Y124-W148 HydrophobicContact CD2-CZ3 4.42Å; Y124-W148 AromaticContact CE2-CH2 3.45Å; Y124-W148 HydrophobicContact CE2-CH2 3.45Å; Y124-W148 VanDerWaalsContact CE2-CH2 3.45Å; Y124-W148 AromaticContact CE2-CZ2 3.53Å; Y124-W148 HydrophobicContact CE2-CZ2 3.53Å; Y124-W148 HydrophobicContact CE2-CZ3 4.4Å; Y124-W148 AromaticContact CZ-CZ2 4Å; A127-W148 HydrophobicContact CB-CH2 4.02Å; A127-W148 HydrophobicContact CB-CZ3 3.68Å; Q128-W148 HydrophobicContact CB-CH2 4.08Å; Q128-W148 HydrophobicContact CB-CZ2 4.13Å; Q128-W148 HydrophobicContact CG-CZ2 4.25Å; M131-W148 HydrophobicContact CE-CB 4.27Å; M131-W148 HydrophobicContact CE-CD2 3.35Å; M131-W148 HydrophobicContact CE-CE3 3.97Å; M131-W148 HydrophobicContact CE-CG 3.49Å; M131-W148 VanDerWaalsContact CE-CG 3.49Å; M131-W148 HydrophobicContact CE-CZ2 3.99Å; M131-W148 VanDerWaalsContact CE-N 3.32Å; W148-F150 VanDerWaalsContact C-N 3.28Å; W148-F150 PolarHBondContact O-N 2.97Å
149G95.5Very high84.3Confident23 Ų2383.3 Ų83.324%0.23745%0.452CS..SBendtrans-68-29.4178.800000113.4I74 D147I74-G149 WeakPolarHBondContact O-CA 3.31Å; I74-G149 PolarHBondContact O-N 3.17Å; D147-G149 PolarHBondContact O-N 2.9Å
150F94.8Very high82.2Confident103 Ų10394.1 Ų94.145%0.45249%0.493SS..  trans-138.5138.4175.5-54.6-76.4000110.6Q67 S69 I74 W148Q67-F150 HydrophobicContact CB-CB 3.99Å; Q67-F150 HydrophobicContact CG-CB 4.44Å; Q67-F150 PolarHBondContact N-O 3.32Å; S69-F150 WeakPolarHBondContact OG-CD2 3.5Å; I74-F150 HydrophobicContact CB-CD2 4.23Å; I74-F150 HydrophobicContact CB-CE2 4.06Å; I74-F150 HydrophobicContact CD1-CE2 3.83Å; I74-F150 HydrophobicContact CG1-CE2 4.4Å; I74-F150 HydrophobicContact CG2-CE2 4.21Å; W148-F150 VanDerWaalsContact C-N 3.28Å; W148-F150 PolarHBondContact O-N 2.97Å
151V92.9Very high79.8Confident72 Ų7293 Ų9344%0.43651%0.506SS..BIsolated β-bridgetrans-111158.9172.8-64.20000109.7P64P64-V151 HydrophobicContact CB-CB 4.31Å; P64-V151 HydrophobicContact CG-CB 3.99Å; P64-V151 HydrophobicContact CG-CG2 4Å
152R88.3Confident77.5Confident147 Ų14793.3 Ų93.356%0.55551%0.509SS*.PPolyproline II helixtrans-60151.9169.8-72.9167.4-175.5-130.2-0.1109.7P64 G65 Q67P64-R152 HydrophobicContact CB-CB 3.94Å; P64-R152 WeakPolarHBondContact CB-O 3.47Å; P64-R152 WeakPolarHBondContact CG-O 3.37Å; G65-R152 WeakPolarHBondContact O-CB 3.5Å; G65-R152 WeakPolarHBondContact O-CD 3.26Å; G65-R152 WeakPolarHBondContact O-CG 3.33Å; G65-R152 PolarHBondContact O-N 3.33Å; Q67-R152 HydrophobicContact CB-CG 4.44Å
153G78.8Confident75.2Confident56 Ų5692.3 Ų92.358%0.57752%0.519SS*.PPolyproline II helixtrans-57.5157.5173.900000111.5
154P74.5Confident72.8Confident98 Ų98100.6 Ų100.664%0.63654%0.541SS*.PPolyproline II helixtrans-54.1143177.723.6-33.4000110K156P154-K156 PolarHBondContact O-N 2.67Å
155P65.6Low70.7Confident97 Ų97111.5 Ų111.563%0.6358%0.582SS**PPolyproline II helixtrans-58.1118.4178.324.1-32.3000108.1S157P155-S157 PolarHBondContact O-N 3.26Å
156K64.8Low68.2Low189 Ų189118.7 Ų118.782%0.82260%0.601SS**  trans-52.3110174.9-70.3-173.2178.2-176.70107.2P154 K158P154-K156 PolarHBondContact O-N 2.67Å; K156-K158 PolarHBondContact O-N 2.63Å
157S57.9Low66.1Low74 Ų74124.3 Ų124.352%0.51764%0.641SS.*  trans-59.4110.4175.490.30000105.3D20 P155 R159D20-S157 PolarHBondContact OD2-OG 2.77Å; P155-S157 PolarHBondContact O-N 3.26Å; S157-R159 PolarHBondContact O-N 2.94Å
158K53.1Low64Low193 Ų193130.8 Ų130.884%0.83966%0.659SS**  trans-62.896.2165.5-83-178.7-177.91710102.9K156 R160K156-K158 PolarHBondContact O-N 2.63Å; K158-R160 VanDerWaalsContact C-N 3.28Å; K158-R160 WeakPolarHBondContact O-CA 3.47Å; K158-R160 PolarHBondContact O-N 3.15Å
159R50.7Low62.1Low180 Ų180133.4 Ų133.468%0.67969%0.685SS**  trans-33.9101171.2-79.8-176146.4164.6-4.9106E19 S157 G161E19-R159 IonicContact OE2-CZ 3.9Å; E19-R159 IonicContact OE2-NH1 3.69Å; E19-R159 IonicContact OE2-NH2 2.77Å; E19-R159 PolarHBondContact OE2-NH2 2.77Å; S157-R159 PolarHBondContact O-N 2.94Å; R159-G161 VanDerWaalsContact C-N 3.31Å; R159-G161 PolarHBondContact O-N 2.64Å
160R46.8Very low60.5Low241 Ų241138 Ų13891%0.90971%0.711SS**  trans-57.9110.3-178.2-74.5-177.790.4173.99.8102.3K158 G162K158-R160 VanDerWaalsContact C-N 3.28Å; K158-R160 WeakPolarHBondContact O-CA 3.47Å; K158-R160 PolarHBondContact O-N 3.15Å; R160-G162 PolarHBondContact O-N 3.15Å
161G42.2Very low58.9Low72 Ų72139.2 Ų139.274%0.74272%0.722SS**  trans-42.8119-169.400000107R159 G163R159-G161 VanDerWaalsContact C-N 3.31Å; R159-G161 PolarHBondContact O-N 2.64Å; G161-G163 PolarHBondContact O-N 2.66Å
162G45Very low57.2Low78 Ų78147.4 Ų147.480%0.80475%0.745SS**  trans-6270.3165.300000106.7R160 R164R160-G162 PolarHBondContact O-N 3.15Å; G162-R164 PolarHBondContact O-N 3.17Å
163G44.7Very low55.5Low58 Ų58150.5 Ų150.560%0.59876%0.757SS**  trans-62.291.4164.700000103.1G161 R165G161-G163 PolarHBondContact O-N 2.66Å; G163-R165 PolarHBondContact O-N 3.03Å
164R46.5Very low54.5Low249 Ų249159.6 Ų159.694%0.9477%0.773SS**  trans-39.992.7167-92173.9163.9167.2-4.5106.7G162 R166G162-R164 PolarHBondContact O-N 3.17Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.22Å
165R53.7Low53.7Low229 Ų229170.5 Ų170.586%0.86480%0.802SS**  trans-67.2102.3169.8-80.9-176.2173.8-169.2-0.1104.6G163G163-R165 PolarHBondContact O-N 3.03Å
166R45.2Very low53.1Low203 Ų203174.2 Ų174.277%0.76681%0.811SS**  trans60.282.7139.9-56.5173.2176.9175.2-1.8115.3R164 R168R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.22Å; R166-R168 VanDerWaalsContact C-N 3.32Å
167S52.5Low52.5Low119 Ų119173.4 Ų173.483%0.83281%0.81SS**  trans-88.882.8132.1470000107.8S169S167-S169 PolarHBondContact O-N 2.96Å
168R54.2Low52.2Low215 Ų215178.9 Ų178.981%0.81183%0.826SS**  trans-61.6115.4154.4-86.6178.4168.4170.4-5.7105.5R166R166-R168 VanDerWaalsContact C-N 3.32Å
169S56.7Low52.2Low105 Ų105178.1 Ų178.173%0.73483%0.825SS**  trans-46.3142.1180-49.20000112.5S167 D171S167-S169 PolarHBondContact O-N 2.96Å; S169-D171 PolarHBondContact O-N 3.15Å
170P61.7Low52.3Low121 Ų121177.9 Ų177.979%0.78684%0.835SS**  trans-71.5113.7153.9-1026.4000108.3R172P170-R172 PolarHBondContact O-N 3.34Å; P170-R172 VanDerWaalsContact O-N 3.15Å
171D61.9Low52.6Low127 Ų127173.7 Ų173.768%0.67983%0.83SS**  trans-58.6110.6165.3-177.355.1000108.8S169 R173S169-D171 PolarHBondContact O-N 3.15Å; D171-R173 VanDerWaalsContact C-N 3.34Å; D171-R173 PolarHBondContact O-N 3.28Å
172R57.1Low53.4Low245 Ų245181 Ų18193%0.92584%0.836SS**  trans-88.877.3169.5-76.6-167.9-176.7-166.82.7109P170P170-R172 PolarHBondContact O-N 3.34Å; P170-R172 VanDerWaalsContact O-N 3.15Å
173R52.7Low54Low211 Ų211188.9 Ų188.980%0.79684%0.838SS**  trans-100.5109.8150.6-78.6-175.8174-167.5-0.2108.2D171D171-R173 VanDerWaalsContact C-N 3.34Å; D171-R173 PolarHBondContact O-N 3.28Å
174R58Low54.8Low247 Ų247199.8 Ų199.893%0.93286%0.858SS**  trans-164.9119.8155.3-109.3171.7-166.6-153.73.1111.4
175R57.4Low55.5Low327 Ų327195.4 Ų195.4100%1.23485%0.851SS**  trans80.40173.3-68.8-168.8176-150.9-1.2117.2

Retrieved 175 of 175 residues in 1062.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).