A0A096MCV6_POEFO Loading...

CCHC-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MCV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 250 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
1R37.8Very low28.6Very low307 Ų307167.4 Ų167.4100%1.15884%0.84SS**  089.10-86.8-176.8176.7-177.6-1.2106.9
2E28.2Very low28.5Very low191 Ų191162.8 Ų162.889%0.89384%0.835SS**PPolyproline II helixtrans-101138.6167.1-79.3173.9103.500107.9
3P30.8Very low28.6Very low124 Ų124158.2 Ų158.281%0.80583%0.827SS**PPolyproline II helixtrans-77.7127.9176.929.6-29.7000110.4Q5P3-Q5 PolarHBondContact O-N 3.03Å
4A31.2Very low29.2Very low97 Ų97154.6 Ų154.680%0.80282%0.818SS**PPolyproline II helixtrans-61.8128.1174.600000110.6V6A4-V6 PolarHBondContact O-N 3.11Å
5Q30.1Very low29.5Very low192 Ų192156.5 Ų156.590%0.89782%0.824SS**PPolyproline II helixtrans-64.8120.5176.9-68.9178.1-10.100110.3P3 Q7P3-Q5 PolarHBondContact O-N 3.03Å; Q5-Q7 PolarHBondContact O-N 2.87Å; Q5-Q7 VanDerWaalsContact O-N 3.11Å
6V28.9Very low29.8Very low132 Ų132152.5 Ų152.580%0.882%0.82SS**  trans-69.6103.5170179.20000108A4 V8A4-V6 PolarHBondContact O-N 3.11Å; V6-V8 PolarHBondContact O-N 3.34Å
7Q25.9Very low30.3Very low179 Ų179149.4 Ų149.484%0.83681%0.807SS**  trans-73.797174.9-150.6174.630.500108.4Q5 V9Q5-Q7 PolarHBondContact O-N 2.87Å; Q5-Q7 VanDerWaalsContact O-N 3.11Å; Q7-V9 PolarHBondContact O-N 3.43Å
8V26.1Very low30.3Very low120 Ų120148.6 Ų148.673%0.72781%0.811SS**  trans-66.198.6173.2-174.60000107.6V6 R10V6-V8 PolarHBondContact O-N 3.34Å; V8-R10 VanDerWaalsContact C-N 3.33Å; V8-R10 PolarHBondContact O-N 3.2Å
9V25.7Very low31.3Very low115 Ų115144.8 Ų144.870%0.69781%0.811SS**  trans-63.597.4170.6-179.40000107.3Q7 M11Q7-V9 PolarHBondContact O-N 3.43Å; V9-M11 VanDerWaalsContact C-N 3.31Å; V9-M11 PolarHBondContact O-N 3.15Å
10R24.3Very low32.4Very low232 Ų232139.8 Ų139.888%0.87579%0.785SS**  trans-61.596.1167-80.5-178.1170.2-179.5-2.3107.3V8 S12V8-R10 VanDerWaalsContact C-N 3.33Å; V8-R10 PolarHBondContact O-N 3.2Å; R10-S12 VanDerWaalsContact C-N 3.33Å; R10-S12 PolarHBondContact O-N 3.4Å
11M25.9Very low34Very low152 Ų152139 Ų13975%0.74977%0.77SS**  trans-67.298166.9-63.1-167.49700107.2V9 S13V9-M11 VanDerWaalsContact C-N 3.31Å; V9-M11 PolarHBondContact O-N 3.15Å; M11-S13 PolarHBondContact O-N 3.03Å; M11-S13 VanDerWaalsContact O-N 3.14Å
12S26.8Very low35.8Very low112 Ų112132 Ų13278%0.78374%0.744SS**  trans-51.5118.2164.91.10000107.5R10R10-S12 VanDerWaalsContact C-N 3.33Å; R10-S12 PolarHBondContact O-N 3.4Å
13S30.4Very low38.6Very low104 Ų104123.4 Ų123.473%0.72770%0.704SS**  trans-52.9133.6170.5-53.50000108.2M11 M15M11-S13 PolarHBondContact O-N 3.03Å; M11-S13 VanDerWaalsContact O-N 3.14Å; S13-M15 PolarHBondContact O-N 3.29Å
14P36.9Very low41.3Very low108 Ų108117.5 Ų117.570%0.70167%0.666SS**  trans-60.8116175.723.3-29.2000107.4A16P14-A16 PolarHBondContact O-N 3.14Å
15M33.7Very low44Very low183 Ų183112.9 Ų112.990%0.90163%0.627SS**PPolyproline II helixtrans-49131.8175.9-78.1178171.700108.8S13 T17S13-M15 PolarHBondContact O-N 3.29Å; M15-T17 PolarHBondContact O-N 3.23Å
16A34.6Very low46.8Very low92 Ų92107.7 Ų107.776%0.7660%0.599SS**PPolyproline II helixtrans-49.6127.6172.100000109.2P14P14-A16 PolarHBondContact O-N 3.14Å
17T37.8Very low49.7Very low100 Ų100101.4 Ų101.461%0.61356%0.561SS**PPolyproline II helixtrans-53.9129.7178.2-32.30000109.4M15 G19 S20M15-T17 PolarHBondContact O-N 3.23Å; T17-G19 PolarHBondContact O-N 2.97Å; T17-S20 PolarHBondContact O-N 3.34Å
18P31.2Very low52.7Low134 Ų13495 Ų9587%0.8753%0.533SS*.THydrogen-bonded Turntrans-58.8114.3179.6-18.829.4000109.4
19G47.6Very low55.7Low78 Ų7890 Ų9080%0.80450%0.502SS*.THydrogen-bonded Turntrans121.4-11.1178.700000116.1T17 R21T17-G19 PolarHBondContact O-N 2.97Å; G19-R21 PolarHBondContact O-N 3.18Å
20S54.1Low58.5Low43 Ų4389.1 Ų89.130%0.30149%0.49SS..  trans-79.8111.8172.5-173.40000110.7T17 R22T17-S20 PolarHBondContact O-N 3.34Å; S20-R22 PolarHBondContact O-N 2.79Å
21R65.4Low61.1Low124 Ų12483.9 Ų83.947%0.46848%0.48SS..  trans-72.3104.1174.4-69.1-104.1-171.6169.93.9109G19 A24 S104G19-R21 PolarHBondContact O-N 3.18Å; R21-A24 HydrophobicContact CB-CB 3.66Å; R21-S104 VanDerWaalsContact O-CA 3.25Å; R21-S104 WeakPolarHBondContact O-CA 3.49Å; R21-S104 PolarHBondContact O-OG 2.85Å; R21-S104 VanDerWaalsContact O-OG 3.13Å
22R77.1Confident63.2Low160 Ų16083.1 Ų83.160%0.60448%0.479SS*.THydrogen-bonded Turntrans-67.8139.2179.6-163.3-178.2-169.5-165.72.6111S20 A24 E107S20-R22 PolarHBondContact O-N 2.79Å; R22-A24 PolarHBondContact O-N 2.96Å; R22-E107 IonicContact CZ-OE1 3.99Å; R22-E107 VanDerWaalsContact CZ-OE1 3.31Å; R22-E107 IonicContact NE-OE1 3.03Å; R22-E107 PolarHBondContact NE-OE1 3.14Å; R22-E107 IonicContact NH2-OE1 2.74Å; R22-E107 PolarHBondContact NH2-OE1 3Å
23N85.4Confident65.5Low11 Ų1179.6 Ų79.66%0.05945%0.449CS..THydrogen-bonded Turntrans51.128.4176.5-52.2-28.6000114.8F72 N75 F78 S104N23-F72 HydrophobicContact CB-CB 4.2Å; N23-F72 VanDerWaalsContact CB-O 3.25Å; N23-F72 WeakPolarHBondContact CB-O 3.35Å; N23-F72 PolarHBondContact ND2-O 3.06Å; N23-F72 WeakPolarHBondContact O-CD2 3.35Å; N23-F72 PolarHBondContact O-N 3.03Å; N23-N75 PolarHBondContact ND2-N 3.33Å; N23-N75 VanDerWaalsContact OD1-CA 3.29Å; N23-N75 WeakPolarHBondContact OD1-CA 3.39Å; N23-F78 HydrophobicContact CB-CB 3.93Å; N23-F78 HydrophobicContact CB-CG 4.28Å; N23-S104 VanDerWaalsContact C-OG 3.32Å; N23-S104 VanDerWaalsContact CA-OG 3.22Å; N23-S104 WeakPolarHBondContact CA-OG 2.91Å; N23-S104 PolarHBondContact N-OG 2.71Å
24A87.3Confident67.8Low0 Ų081.7 Ų81.70%045%0.447CS..EExtended strand (participates in β ladder)trans-99.2140.5-179.300000113.2R21 R22 V70 V71 F78 L103 S104R21-A24 HydrophobicContact CB-CB 3.66Å; R22-A24 PolarHBondContact O-N 2.96Å; A24-V70 CarbonylContact C-O 3.59Å; A24-V70 VanDerWaalsContact CA-O 3.26Å; A24-V70 WeakPolarHBondContact CA-O 3.3Å; A24-V71 HydrophobicContact CB-CG2 4.14Å; A24-F78 WeakPolarHBondContact O-CE2 3.4Å; A24-L103 HydrophobicContact CB-CB 3.96Å; A24-L103 PolarHBondContact O-N 2.83Å; A24-S104 PolarHBondContact N-OG 3.38Å; A24-S104 PolarHBondContact O-N 2.97Å; A24-S104 VanDerWaalsContact O-N 3.13Å; A24-S104 PolarHBondContact O-OG 2.97Å
25V88.4Confident70.1Confident0 Ų077.9 Ų77.90%042%0.421CS..EExtended strand (participates in β ladder)trans-130.7137.7174.8178.50000108.9F27 E69 V70 F72 F78 L82 M100 V101V25-F27 HydrophobicContact CB-CE2 3.98Å; V25-F27 HydrophobicContact CB-CZ 4.48Å; V25-F27 HydrophobicContact CG1-CD2 4.06Å; V25-F27 HydrophobicContact CG1-CE1 4.43Å; V25-F27 HydrophobicContact CG1-CE2 3.57Å; V25-F27 HydrophobicContact CG1-CZ 3.79Å; V25-E69 CarbonylContact O-C 3.48Å; V25-E69 WeakPolarHBondContact O-CA 3.17Å; V25-V70 PolarHBondContact N-O 2.79Å; V25-V70 PolarHBondContact O-N 2.85Å; V25-F72 HydrophobicContact CB-CE2 4.33Å; V25-F72 HydrophobicContact CG2-CD2 4.49Å; V25-F72 HydrophobicContact CG2-CE2 3.88Å; V25-F78 HydrophobicContact CG2-CD2 3.59Å; V25-F78 HydrophobicContact CG2-CE2 3.52Å; V25-L82 HydrophobicContact CG2-CD2 4.09Å; V25-M100 HydrophobicContact CG1-CG 3.2Å; V25-M100 HydrophobicContact CG1-SD 3.7Å; V25-V101 CarbonylContact C-O 3.54Å
26R89.3Confident72.7Confident82 Ų8273.1 Ų73.131%0.30940%0.399SS..EExtended strand (participates in β ladder)trans-95.7135.9168.5-172.4172.7-67.5153.10.2109.7F68 E69 M100 V101 L103R26-F68 CarbonylContact C-O 3.57Å; R26-F68 WeakPolarHBondContact CA-O 3.47Å; R26-E69 HydrophobicContact CG-CG 4.44Å; R26-E69 IonicContact CZ-OE1 3.56Å; R26-E69 IonicContact NE-OE1 3.9Å; R26-E69 PolarHBondContact NE-OE1 2.86Å; R26-E69 IonicContact NH2-OE1 3.64Å; R26-E69 PolarHBondContact NH2-OE1 3.01Å; R26-M100 CarbonylContact O-C 3.52Å; R26-M100 VanDerWaalsContact O-CA 3.31Å; R26-M100 WeakPolarHBondContact O-CA 3.33Å; R26-V101 HydrophobicContact CB-CB 4.47Å; R26-V101 PolarHBondContact N-O 2.85Å; R26-V101 PolarHBondContact O-N 2.8Å; R26-L103 HydrophobicContact CB-CD1 3.89Å; R26-L103 HydrophobicContact CB-CD2 4Å; R26-L103 HydrophobicContact CB-CG 3.86Å
27F90.1Very high75.4Confident0 Ų075.5 Ų75.50%039%0.388CS..EExtended strand (participates in β ladder)trans-115128.7169.9-65.7-92.1000108.9V25 F40 L45 L49 T67 F68 V70 F85 V98 G99 M100V25-F27 HydrophobicContact CB-CE2 3.98Å; V25-F27 HydrophobicContact CB-CZ 4.48Å; V25-F27 HydrophobicContact CG1-CD2 4.06Å; V25-F27 HydrophobicContact CG1-CE1 4.43Å; V25-F27 HydrophobicContact CG1-CE2 3.57Å; V25-F27 HydrophobicContact CG1-CZ 3.79Å; F27-F40 HydrophobicContact CB-CE2 3.99Å; F27-F40 HydrophobicContact CB-CZ 3.64Å; F27-F40 HydrophobicContact CD1-CZ 4.22Å; F27-F40 HydrophobicContact CD2-CE1 4.36Å; F27-F40 AromaticContact CD2-CZ 3.75Å; F27-F40 HydrophobicContact CD2-CZ 3.75Å; F27-F40 HydrophobicContact CE2-CZ 4.44Å; F27-F40 HydrophobicContact CG-CE2 4.28Å; F27-F40 AromaticContact CG-CZ 3.61Å; F27-F40 HydrophobicContact CG-CZ 3.61Å; F27-L45 HydrophobicContact CE2-CD2 4.07Å; F27-L45 HydrophobicContact CZ-CD2 4.08Å; F27-L49 HydrophobicContact CE1-CD1 3.93Å; F27-L49 HydrophobicContact CZ-CD1 3.95Å; F27-T67 CarbonylContact O-C 3.55Å; F27-T67 VanDerWaalsContact O-CA 3.25Å; F27-T67 WeakPolarHBondContact O-CA 3.46Å; F27-F68 HydrophobicContact CB-CB 4.49Å; F27-F68 PolarHBondContact N-O 2.97Å; F27-F68 PolarHBondContact O-N 3.28Å; F27-V70 HydrophobicContact CD2-CB 4.35Å; F27-V70 HydrophobicContact CD2-CG2 3.74Å; F27-V70 HydrophobicContact CE2-CB 3.97Å; F27-V70 HydrophobicContact CE2-CG2 3.7Å; F27-F85 HydrophobicContact CD1-CE2 4.25Å; F27-F85 HydrophobicContact CE1-CD2 4.12Å; F27-F85 AromaticContact CE1-CE2 3.92Å; F27-F85 HydrophobicContact CE1-CE2 3.92Å; F27-V98 HydrophobicContact CB-CG1 4.32Å; F27-V98 HydrophobicContact CD1-CG1 3.86Å; F27-G99 CarbonylContact C-O 3.52Å; F27-G99 VanDerWaalsContact CA-O 3.26Å; F27-G99 WeakPolarHBondContact CA-O 3.32Å; F27-M100 HydrophobicContact CD1-CB 4.12Å; F27-M100 HydrophobicContact CD1-CG 3.98Å; F27-M100 HydrophobicContact CE1-CB 4.14Å; F27-M100 HydrophobicContact CE1-CG 3.68Å; F27-M100 HydrophobicContact CE1-SD 3.73Å; F27-M100 HydrophobicContact CZ-CG 4.08Å; F27-M100 HydrophobicContact CZ-SD 3.92Å
28D89Confident77.9Confident46 Ų4674.8 Ų74.825%0.24638%0.38CS..EExtended strand (participates in β ladder)trans-113.8115.9179.4-56.4-65.1000108.4T67 G99D28-T67 HydrophobicContact CB-CG2 4.29Å; D28-T67 WeakPolarHBondContact OD1-CG2 3.28Å; D28-G99 PolarHBondContact N-O 3.31Å; D28-G99 PolarHBondContact O-N 3.06Å
29L88.6Confident80.8Confident14 Ų1472.7 Ų72.77%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-79.9130.9174.9-55-177.4000109.7K33 M35 F40 K66 F68 V98L29-K33 HydrophobicContact CB-CB 4.43Å; L29-K33 WeakPolarHBondContact CB-O 3.47Å; L29-K33 WeakPolarHBondContact CD1-O 3.41Å; L29-M35 HydrophobicContact CD1-CB 3.99Å; L29-M35 HydrophobicContact CD1-CG 3.82Å; L29-M35 HydrophobicContact CD1-SD 4.11Å; L29-M35 HydrophobicContact CD2-SD 4.4Å; L29-F40 HydrophobicContact CD2-CD2 4.39Å; L29-F40 HydrophobicContact CD2-CE2 4.38Å; L29-K66 HydrophobicContact CB-CB 3.99Å; L29-K66 WeakPolarHBondContact CB-O 3.34Å; L29-K66 PolarHBondContact N-O 3.32Å; L29-F68 HydrophobicContact CD1-CD2 4.42Å; L29-F68 HydrophobicContact CD1-CE2 3.69Å; L29-F68 HydrophobicContact CG-CD2 4.4Å; L29-F68 HydrophobicContact CG-CE2 4.13Å; L29-V98 HydrophobicContact CD2-CG1 4.43Å; L29-V98 HydrophobicContact CD2-CG2 3.93Å
30Q84.9Confident82.9Confident96 Ų9669 Ų6945%0.44932%0.321SS..  trans-111.3170.6-179.2-56.7-178.53.500110.9D32 K33 N97Q30-D32 PolarHBondContact O-N 3.34Å; Q30-K33 WeakPolarHBondContact O-CB 3.46Å; Q30-K33 PolarHBondContact O-N 3.47Å; Q30-N97 HydrophobicContact CB-CB 4.38Å; Q30-N97 WeakPolarHBondContact CB-O 3.36Å; Q30-N97 PolarHBondContact N-O 2.85Å
31N77.6Confident84.8Confident123 Ų12367.7 Ų67.766%0.65831%0.311SS*.THydrogen-bonded Turntrans5349.4174.4-64.4-20.5000114K33 N97N31-K33 PolarHBondContact O-N 3.26Å; N31-N97 HydrophobicContact CB-CB 4.42Å; N31-N97 PolarHBondContact ND2-OD1 2.99Å
32D70.1Confident86.1Confident136 Ų13669 Ų6973%0.72732%0.316SS*.THydrogen-bonded Turntrans55.812.7178.4-74.9-42000117.9Q30 E34 K66Q30-D32 PolarHBondContact O-N 3.34Å; D32-E34 PolarHBondContact O-N 2.91Å; D32-K66 PolarHBondContact O-NZ 3.33Å; D32-K66 IonicContact OD1-NZ 2.72Å; D32-K66 PolarHBondContact OD1-NZ 3Å
33K76Confident86.8Confident38 Ų3865 Ų6517%0.16531%0.307CS..  trans-61.7110.6173.3-170.8166.9-172.9163.10110L29 Q30 N31 M35 Q94L29-K33 HydrophobicContact CB-CB 4.43Å; L29-K33 WeakPolarHBondContact CB-O 3.47Å; L29-K33 WeakPolarHBondContact CD1-O 3.41Å; Q30-K33 WeakPolarHBondContact O-CB 3.46Å; Q30-K33 PolarHBondContact O-N 3.47Å; N31-K33 PolarHBondContact O-N 3.26Å; K33-M35 HydrophobicContact CG-CG 4.3Å; K33-M35 HydrophobicContact CG-SD 4.42Å; K33-Q94 PolarHBondContact NZ-O 2.78Å
34E78.8Confident87.2Confident147 Ų14764.6 Ų64.669%0.68730%0.304SS*.  trans-105.5134.7174.6-74.9-172.3-18000110.6D32 K66D32-E34 PolarHBondContact O-N 2.91Å; E34-K66 HydrophobicContact CG-CD 4.18Å; E34-K66 WeakPolarHBondContact OE1-CE 3.43Å; E34-K66 IonicContact OE1-NZ 3.1Å; E34-K66 PolarHBondContact OE1-NZ 3.39Å
35M85.6Confident87.4Confident29 Ų2964.6 Ų64.614%0.14330%0.304CS..  trans-144.9139.4179.1-55.5-174.770.700107.4L29 K33 Q39 F40 L43 I44 F68L29-M35 HydrophobicContact CD1-CB 3.99Å; L29-M35 HydrophobicContact CD1-CG 3.82Å; L29-M35 HydrophobicContact CD1-SD 4.11Å; L29-M35 HydrophobicContact CD2-SD 4.4Å; K33-M35 HydrophobicContact CG-CG 4.3Å; K33-M35 HydrophobicContact CG-SD 4.42Å; M35-Q39 HydrophobicContact CB-CB 4.3Å; M35-Q39 HydrophobicContact CE-CB 4.1Å; M35-F40 HydrophobicContact CB-CB 4.42Å; M35-L43 HydrophobicContact CE-CB 3.92Å; M35-L43 HydrophobicContact CE-CD1 3.77Å; M35-L43 HydrophobicContact CE-CG 4.39Å; M35-I44 HydrophobicContact CE-CD1 4.48Å; M35-I44 HydrophobicContact CE-CG1 4.06Å; M35-I44 HydrophobicContact SD-CD1 4.32Å; M35-I44 HydrophobicContact SD-CG1 3.99Å; M35-F68 WeakPolarHBondContact O-CZ 3.3Å
36D87.9Confident87.7Confident83 Ų8367.6 Ų67.644%0.44432%0.319SS..  trans-74.3168.6164.173.944.6000110.6L38 Q39 F40D36-L38 VanDerWaalsContact C-N 3.25Å; D36-L38 PolarHBondContact O-N 2.89Å; D36-L38 WeakPolarHBondContact OD1-CA 3.31Å; D36-L38 WeakPolarHBondContact OD1-CB 3.27Å; D36-L38 PolarHBondContact OD1-N 3.41Å; D36-Q39 PolarHBondContact O-N 2.72Å; D36-Q39 WeakPolarHBondContact OD1-CB 3.4Å; D36-Q39 WeakPolarHBondContact OD1-CG 3.22Å; D36-Q39 PolarHBondContact OD1-N 3.42Å; D36-Q39 WeakPolarHBondContact OD2-CG 3.25Å; D36-F40 WeakPolarHBondContact O-CB 3.48Å; D36-F40 PolarHBondContact O-N 2.95Å
37R90.9Very high87.9Confident142 Ų14270.5 Ų70.554%0.53633%0.333SS..Hα-helixtrans-56.8-37.6-179.9-170.7-172.774.3105.70.4113S41 I59 A61 F68R37-S41 WeakPolarHBondContact O-CB 3.45Å; R37-S41 PolarHBondContact O-N 3.24Å; R37-I59 WeakPolarHBondContact CD-O 3.39Å; R37-I59 HydrophobicContact CG-CB 4.4Å; R37-I59 HydrophobicContact CG-CG2 3.91Å; R37-A61 HydrophobicContact CB-CB 4.42Å; R37-F68 HydrophobicContact CB-CE1 4.36Å
38L91.5Very high87.9Confident85 Ų8571.4 Ų71.445%0.44534%0.338SS..Hα-helixtrans-76.4-42.1-176.2-176.263.5000111.3D36 S41 R42D36-L38 VanDerWaalsContact C-N 3.25Å; D36-L38 PolarHBondContact O-N 2.89Å; D36-L38 WeakPolarHBondContact OD1-CA 3.31Å; D36-L38 WeakPolarHBondContact OD1-CB 3.27Å; D36-L38 PolarHBondContact OD1-N 3.41Å; L38-S41 PolarHBondContact O-N 3.17Å; L38-R42 WeakPolarHBondContact O-CG 3.4Å; L38-R42 PolarHBondContact O-N 3.34Å
39Q91.3Very high88Confident90 Ų9069.6 Ų69.642%0.42133%0.328SS..Hα-helixtrans-59.5-46.8172-71.9175.8-26.800110.4M35 D36 S41 R42 L43M35-Q39 HydrophobicContact CB-CB 4.3Å; M35-Q39 HydrophobicContact CE-CB 4.1Å; D36-Q39 PolarHBondContact O-N 2.72Å; D36-Q39 WeakPolarHBondContact OD1-CB 3.4Å; D36-Q39 WeakPolarHBondContact OD1-CG 3.22Å; D36-Q39 PolarHBondContact OD1-N 3.42Å; D36-Q39 WeakPolarHBondContact OD2-CG 3.25Å; Q39-S41 PolarHBondContact O-N 3.09Å; Q39-R42 PolarHBondContact O-N 3.18Å; Q39-L43 VanDerWaalsContact O-CB 3.28Å; Q39-L43 WeakPolarHBondContact O-CB 3.42Å; Q39-L43 WeakPolarHBondContact O-CG 3.26Å; Q39-L43 PolarHBondContact O-N 3.36Å
40F92.4Very high88.2Confident0 Ų071 Ų710%035%0.345CS..Iπ-helixtrans-58.9-47.3176.1177.9-99.4000111.4F27 L29 M35 D36 R42 I44 L45 I59 F68 V70F27-F40 HydrophobicContact CB-CE2 3.99Å; F27-F40 HydrophobicContact CB-CZ 3.64Å; F27-F40 HydrophobicContact CD1-CZ 4.22Å; F27-F40 HydrophobicContact CD2-CE1 4.36Å; F27-F40 AromaticContact CD2-CZ 3.75Å; F27-F40 HydrophobicContact CD2-CZ 3.75Å; F27-F40 HydrophobicContact CE2-CZ 4.44Å; F27-F40 HydrophobicContact CG-CE2 4.28Å; F27-F40 AromaticContact CG-CZ 3.61Å; F27-F40 HydrophobicContact CG-CZ 3.61Å; L29-F40 HydrophobicContact CD2-CD2 4.39Å; L29-F40 HydrophobicContact CD2-CE2 4.38Å; M35-F40 HydrophobicContact CB-CB 4.42Å; D36-F40 WeakPolarHBondContact O-CB 3.48Å; D36-F40 PolarHBondContact O-N 2.95Å; F40-R42 PolarHBondContact O-N 2.96Å; F40-I44 HydrophobicContact CD2-CB 3.93Å; F40-I44 HydrophobicContact CD2-CG1 3.73Å; F40-I44 HydrophobicContact CD2-CG2 4.43Å; F40-I44 HydrophobicContact CE2-CB 3.81Å; F40-I44 HydrophobicContact CE2-CG1 3.9Å; F40-I44 HydrophobicContact CE2-CG2 3.8Å; F40-I44 HydrophobicContact CZ-CB 4.37Å; F40-I44 HydrophobicContact CZ-CG2 4.18Å; F40-I44 WeakPolarHBondContact O-CA 3.37Å; F40-I44 WeakPolarHBondContact O-CB 3.32Å; F40-I44 PolarHBondContact O-N 2.89Å; F40-L45 HydrophobicContact CD1-CD1 4.28Å; F40-L45 HydrophobicContact CD1-CG 4.29Å; F40-L45 HydrophobicContact CE1-CD1 3.85Å; F40-L45 HydrophobicContact CE1-CD2 3.87Å; F40-L45 HydrophobicContact CE1-CG 3.78Å; F40-L45 HydrophobicContact CZ-CD2 3.98Å; F40-L45 HydrophobicContact CZ-CG 4.29Å; F40-L45 PolarHBondContact O-N 2.72Å; F40-I59 HydrophobicContact CD1-CG2 4.3Å; F40-F68 HydrophobicContact CB-CD1 4.35Å; F40-F68 HydrophobicContact CB-CD2 4.3Å; F40-F68 HydrophobicContact CB-CE1 4.12Å; F40-F68 HydrophobicContact CB-CE2 4.09Å; F40-F68 HydrophobicContact CB-CG 4.43Å; F40-F68 HydrophobicContact CB-CZ 3.99Å; F40-F68 HydrophobicContact CD1-CB 3.9Å; F40-F68 AromaticContact CD1-CD1 3.97Å; F40-F68 HydrophobicContact CD1-CD1 3.97Å; F40-F68 HydrophobicContact CD1-CD2 4.06Å; F40-F68 AromaticContact CD1-CG 3.68Å; F40-F68 HydrophobicContact CD1-CG 3.68Å; F40-F68 AromaticContact CD2-CD2 3.63Å; F40-F68 HydrophobicContact CD2-CD2 3.63Å; F40-F68 AromaticContact CD2-CE2 3.95Å; F40-F68 HydrophobicContact CD2-CE2 3.95Å; F40-F68 HydrophobicContact CD2-CG 4.13Å; F40-F68 HydrophobicContact CE1-CB 3.63Å; F40-F68 HydrophobicContact CE1-CD2 4.33Å; F40-F68 AromaticContact CE1-CG 3.93Å; F40-F68 HydrophobicContact CE1-CG 3.93Å; F40-F68 HydrophobicContact CE2-CB 4.44Å; F40-F68 AromaticContact CE2-CD2 3.93Å; F40-F68 HydrophobicContact CE2-CD2 3.93Å; F40-F68 HydrophobicContact CE2-CG 4.35Å; F40-F68 HydrophobicContact CG-CB 4.42Å; F40-F68 HydrophobicContact CG-CD1 4.13Å; F40-F68 AromaticContact CG-CD2 3.71Å; F40-F68 HydrophobicContact CG-CD2 3.71Å; F40-F68 HydrophobicContact CG-CE1 4.36Å; F40-F68 AromaticContact CG-CE2 3.98Å; F40-F68 HydrophobicContact CG-CE2 3.98Å; F40-F68 AromaticContact CG-CG 3.8Å; F40-F68 HydrophobicContact CG-CG 3.8Å; F40-F68 HydrophobicContact CG-CZ 4.29Å; F40-F68 HydrophobicContact CZ-CB 3.95Å; F40-F68 HydrophobicContact CZ-CD2 4.29Å; F40-F68 HydrophobicContact CZ-CG 4.27Å; F40-V70 HydrophobicContact CE1-CG2 3.79Å; F40-V70 HydrophobicContact CZ-CG2 4.45Å
41S93.3Very high88.7Confident15 Ų1566.6 Ų66.611%0.10533%0.325CS..Iπ-helixtrans-58.4-48.2177.3-177.90000112.5R37 L38 Q39 L45 Q46R37-S41 WeakPolarHBondContact O-CB 3.45Å; R37-S41 PolarHBondContact O-N 3.24Å; L38-S41 PolarHBondContact O-N 3.17Å; Q39-S41 PolarHBondContact O-N 3.09Å; S41-L45 WeakPolarHBondContact O-CB 3.38Å; S41-L45 PolarHBondContact O-N 3.2Å; S41-Q46 WeakPolarHBondContact O-CG 3.25Å; S41-Q46 PolarHBondContact O-N 3.17Å; S41-Q46 PolarHBondContact OG-NE2 2.8Å
42R93.4Very high89.5Confident151 Ų15165.9 Ų65.957%0.5732%0.32SS*.Iπ-helixtrans-75.5-45.8-174.7-72.2176.6172.6170.8-2112.9L38 Q39 F40 Q46 K47L38-R42 WeakPolarHBondContact O-CG 3.4Å; L38-R42 PolarHBondContact O-N 3.34Å; Q39-R42 PolarHBondContact O-N 3.18Å; F40-R42 PolarHBondContact O-N 2.96Å; R42-Q46 WeakPolarHBondContact O-CB 3.41Å; R42-K47 WeakPolarHBondContact O-CB 3.38Å; R42-K47 PolarHBondContact O-N 3.45Å
43L91.6Very high90.6Very high78 Ų7863 Ų6341%0.40831%0.309SS..Iπ-helixtrans-81.1-50.7-174.3-62.7174.6000110.8M35 Q39 K47 E48M35-L43 HydrophobicContact CE-CB 3.92Å; M35-L43 HydrophobicContact CE-CD1 3.77Å; M35-L43 HydrophobicContact CE-CG 4.39Å; Q39-L43 VanDerWaalsContact O-CB 3.28Å; Q39-L43 WeakPolarHBondContact O-CB 3.42Å; Q39-L43 WeakPolarHBondContact O-CG 3.26Å; Q39-L43 PolarHBondContact O-N 3.36Å; L43-K47 HydrophobicContact CD2-CD 4.42Å; L43-K47 WeakPolarHBondContact O-CB 3.22Å; L43-E48 VanDerWaalsContact O-CG 3.31Å; L43-E48 WeakPolarHBondContact O-CG 3.36Å; L43-E48 PolarHBondContact O-N 3.17Å
44I92.2Very high91.4Very high1 Ų165.4 Ų65.41%0.00534%0.336CS..Iπ-helixtrans-82.2-58.9-175.2-55-56.6000110.9M35 F40 E48 L49 L95 V98M35-I44 HydrophobicContact CE-CD1 4.48Å; M35-I44 HydrophobicContact CE-CG1 4.06Å; M35-I44 HydrophobicContact SD-CD1 4.32Å; M35-I44 HydrophobicContact SD-CG1 3.99Å; F40-I44 HydrophobicContact CD2-CB 3.93Å; F40-I44 HydrophobicContact CD2-CG1 3.73Å; F40-I44 HydrophobicContact CD2-CG2 4.43Å; F40-I44 HydrophobicContact CE2-CB 3.81Å; F40-I44 HydrophobicContact CE2-CG1 3.9Å; F40-I44 HydrophobicContact CE2-CG2 3.8Å; F40-I44 HydrophobicContact CZ-CB 4.37Å; F40-I44 HydrophobicContact CZ-CG2 4.18Å; F40-I44 WeakPolarHBondContact O-CA 3.37Å; F40-I44 WeakPolarHBondContact O-CB 3.32Å; F40-I44 PolarHBondContact O-N 2.89Å; I44-E48 HydrophobicContact CD1-CG 4.45Å; I44-E48 CarbonylContact O-C 3.53Å; I44-E48 WeakPolarHBondContact O-CA 3.25Å; I44-E48 WeakPolarHBondContact O-CB 3.48Å; I44-E48 PolarHBondContact O-N 3.41Å; I44-L49 HydrophobicContact CG2-CD1 4.37Å; I44-L49 WeakPolarHBondContact O-CG 3.49Å; I44-L49 PolarHBondContact O-N 3.36Å; I44-L95 HydrophobicContact CD1-CD2 4.38Å; I44-L95 HydrophobicContact CG2-CD2 3.86Å; I44-V98 HydrophobicContact CD1-CG2 4.49Å
45L93.3Very high92.1Very high0 Ų059.9 Ų59.90%031%0.31CS..Iπ-helixtrans-71.9-45.2-171.2-55.3180000112.5F27 F40 S41 L49 G50 F51 L56 I59 V70F27-L45 HydrophobicContact CE2-CD2 4.07Å; F27-L45 HydrophobicContact CZ-CD2 4.08Å; F40-L45 HydrophobicContact CD1-CD1 4.28Å; F40-L45 HydrophobicContact CD1-CG 4.29Å; F40-L45 HydrophobicContact CE1-CD1 3.85Å; F40-L45 HydrophobicContact CE1-CD2 3.87Å; F40-L45 HydrophobicContact CE1-CG 3.78Å; F40-L45 HydrophobicContact CZ-CD2 3.98Å; F40-L45 HydrophobicContact CZ-CG 4.29Å; F40-L45 PolarHBondContact O-N 2.72Å; S41-L45 WeakPolarHBondContact O-CB 3.38Å; S41-L45 PolarHBondContact O-N 3.2Å; L45-L49 HydrophobicContact CD2-CD1 3.97Å; L45-L49 CarbonylContact O-C 3.59Å; L45-L49 WeakPolarHBondContact O-CB 3.43Å; L45-G50 PolarHBondContact O-N 2.81Å; L45-F51 PolarHBondContact O-N 2.83Å; L45-L56 HydrophobicContact CB-CD1 4.17Å; L45-L56 HydrophobicContact CD1-CD1 3.7Å; L45-L56 HydrophobicContact CD1-CD2 4.39Å; L45-I59 HydrophobicContact CD1-CD1 3.68Å; L45-I59 HydrophobicContact CD1-CG1 4.17Å; L45-V70 HydrophobicContact CD1-CG1 3.97Å; L45-V70 HydrophobicContact CD1-CG2 3.77Å; L45-V70 HydrophobicContact CD2-CG2 4.15Å
46Q94.1Very high92.5Very high64 Ų6459.4 Ų59.430%0.29931%0.308SS..Iπ-helixtrans-83.5-55.1-175.8-62.5171.851.200112.3S41 R42 G50 F51S41-Q46 WeakPolarHBondContact O-CG 3.25Å; S41-Q46 PolarHBondContact O-N 3.17Å; S41-Q46 PolarHBondContact OG-NE2 2.8Å; R42-Q46 WeakPolarHBondContact O-CB 3.41Å; Q46-G50 WeakPolarHBondContact O-CA 3.31Å; Q46-G50 PolarHBondContact O-N 3.13Å; Q46-G50 VanDerWaalsContact O-N 3.13Å; Q46-F51 VanDerWaalsContact CA-O 3.3Å; Q46-F51 WeakPolarHBondContact CA-O 3.35Å; Q46-F51 VanDerWaalsContact CG-O 3.27Å; Q46-F51 WeakPolarHBondContact CG-O 3.44Å
47K92.4Very high92.6Very high142 Ų14259.6 Ų59.662%0.61731%0.309SS*.Iπ-helixtrans-76.2-48.6-176.9-179.3-177.9179.7179.90112.6R42 L43 R92R42-K47 WeakPolarHBondContact O-CB 3.38Å; R42-K47 PolarHBondContact O-N 3.45Å; L43-K47 HydrophobicContact CD2-CD 4.42Å; L43-K47 WeakPolarHBondContact O-CB 3.22Å; K47-R92 PolarHBondContact O-NH1 2.95Å
48E91.4Very high92.7Very high20 Ų2059 Ų599%0.09331%0.308CS..Iπ-helixtrans-80.1-43-177.1-60.7-43.1142.700114.2L43 I44 R92 Q94 L95L43-E48 VanDerWaalsContact O-CG 3.31Å; L43-E48 WeakPolarHBondContact O-CG 3.36Å; L43-E48 PolarHBondContact O-N 3.17Å; I44-E48 HydrophobicContact CD1-CG 4.45Å; I44-E48 CarbonylContact O-C 3.53Å; I44-E48 WeakPolarHBondContact O-CA 3.25Å; I44-E48 WeakPolarHBondContact O-CB 3.48Å; I44-E48 PolarHBondContact O-N 3.41Å; E48-R92 PolarHBondContact O-NH1 3.33Å; E48-R92 PolarHBondContact O-NH2 2.75Å; E48-R92 WeakPolarHBondContact OE2-CD 3.29Å; E48-R92 IonicContact OE2-CZ 2.85Å; E48-R92 IonicContact OE2-NE 3.71Å; E48-R92 IonicContact OE2-NH1 3.39Å; E48-R92 PolarHBondContact OE2-NH1 3.39Å; E48-Q94 HydrophobicContact CG-CB 3.85Å; E48-L95 HydrophobicContact CB-CD1 4.17Å; E48-L95 HydrophobicContact CB-CD2 3.95Å; E48-L95 HydrophobicContact CB-CG 4.02Å; E48-L95 HydrophobicContact CG-CD2 4.45Å; E48-L95 HydrophobicContact CG-CG 4.39Å
49L91.1Very high92.8Very high8 Ų855.9 Ų55.94%0.04229%0.292CS..THydrogen-bonded Turntrans-96.4-10.9-177.6-59.3179000113.8F27 I44 L45 F51 F85 L88 L95F27-L49 HydrophobicContact CE1-CD1 3.93Å; F27-L49 HydrophobicContact CZ-CD1 3.95Å; I44-L49 HydrophobicContact CG2-CD1 4.37Å; I44-L49 WeakPolarHBondContact O-CG 3.49Å; I44-L49 PolarHBondContact O-N 3.36Å; L45-L49 HydrophobicContact CD2-CD1 3.97Å; L45-L49 CarbonylContact O-C 3.59Å; L45-L49 WeakPolarHBondContact O-CB 3.43Å; L49-F51 HydrophobicContact CB-CD2 3.57Å; L49-F51 HydrophobicContact CB-CE2 3.69Å; L49-F51 HydrophobicContact CD1-CE2 4.33Å; L49-F85 HydrophobicContact CD2-CD2 3.99Å; L49-L88 HydrophobicContact CD2-CD1 3.91Å; L49-L95 HydrophobicContact CD2-CD1 3.89Å; L49-L95 HydrophobicContact CD2-CD2 4.34Å
50G92.4Very high92.7Very high42 Ų4255.1 Ų55.143%0.43329%0.287SS..  trans72.328.5174.700000114.3L45 Q46L45-G50 PolarHBondContact O-N 2.81Å; Q46-G50 WeakPolarHBondContact O-CA 3.31Å; Q46-G50 PolarHBondContact O-N 3.13Å; Q46-G50 VanDerWaalsContact O-N 3.13Å
51F95.4Very high92.6Very high5 Ų557.6 Ų57.62%0.02231%0.308CS..  trans-89.7142.2174.8-69.8-72.5000111.5L45 Q46 L49 Q55 L56 F72 F77 K80 C81L45-F51 PolarHBondContact O-N 2.83Å; Q46-F51 VanDerWaalsContact CA-O 3.3Å; Q46-F51 WeakPolarHBondContact CA-O 3.35Å; Q46-F51 VanDerWaalsContact CG-O 3.27Å; Q46-F51 WeakPolarHBondContact CG-O 3.44Å; L49-F51 HydrophobicContact CB-CD2 3.57Å; L49-F51 HydrophobicContact CB-CE2 3.69Å; L49-F51 HydrophobicContact CD1-CE2 4.33Å; F51-Q55 HydrophobicContact CD1-CB 4.5Å; F51-L56 HydrophobicContact CB-CD2 4.26Å; F51-F72 HydrophobicContact CD1-CD1 4.4Å; F51-F72 AromaticContact CD1-CE1 3.88Å; F51-F72 HydrophobicContact CD1-CE1 3.88Å; F51-F72 HydrophobicContact CD2-CE1 4.02Å; F51-F72 HydrophobicContact CE1-CD1 4.31Å; F51-F72 AromaticContact CE1-CE1 3.77Å; F51-F72 HydrophobicContact CE1-CE1 3.77Å; F51-F72 AromaticContact CE2-CE1 3.91Å; F51-F72 HydrophobicContact CE2-CE1 3.91Å; F51-F72 HydrophobicContact CE2-CZ 4.15Å; F51-F72 HydrophobicContact CG-CE1 4.02Å; F51-F72 AromaticContact CZ-CE1 3.8Å; F51-F72 HydrophobicContact CZ-CE1 3.8Å; F51-F72 HydrophobicContact CZ-CZ 4.24Å; F51-F77 HydrophobicContact CE1-CB 4.16Å; F51-K80 HydrophobicContact CE1-CB 4.5Å; F51-K80 HydrophobicContact CE1-CD 4.13Å; F51-K80 HydrophobicContact CE1-CG 4.45Å; F51-K80 HydrophobicContact CZ-CG 4.41Å; F51-C81 HydrophobicContact CE2-CB 3.8Å; F51-C81 HydrophobicContact CZ-CB 3.54Å
52L94.1Very high92.1Very high108 Ų10859.2 Ų59.257%0.56532%0.315SS*.  trans-86.8150.9171.3-63.7171.5000110.2A54 Q55L52-A54 PolarHBondContact O-N 2.79Å; L52-A54 VanDerWaalsContact O-N 3.15Å; L52-Q55 HydrophobicContact CB-CG 4.12Å; L52-Q55 VanDerWaalsContact O-CB 3.31Å; L52-Q55 WeakPolarHBondContact O-CB 3.38Å; L52-Q55 PolarHBondContact O-N 2.9Å
53P93.3Very high91.1Very high75 Ų7558 Ų5849%0.48733%0.326SS..G310 helixtrans-52.7-37176-28.435.6000113.9Q55 L56P53-Q55 PolarHBondContact O-N 3.19Å; P53-Q55 VanDerWaalsContact O-N 3.17Å; P53-L56 PolarHBondContact O-N 2.84Å; P53-L56 VanDerWaalsContact O-N 3.09Å; P53-L56 VanDerWaalsContact O-O 3.13Å
54A93Very high89.9Confident89 Ų8958.6 Ų58.674%0.73635%0.352SS*.G310 helixtrans-66.8-12.2177.200000114.6L52L52-A54 PolarHBondContact O-N 2.79Å; L52-A54 VanDerWaalsContact O-N 3.15Å
55Q93.5Very high88.6Confident30 Ų3067.3 Ų67.314%0.1439%0.385CS..G310 helixtrans-91.4-7.4176.8-59.6174.7-27.900112F51 L52 P53 T73 F77F51-Q55 HydrophobicContact CD1-CB 4.5Å; L52-Q55 HydrophobicContact CB-CG 4.12Å; L52-Q55 VanDerWaalsContact O-CB 3.31Å; L52-Q55 WeakPolarHBondContact O-CB 3.38Å; L52-Q55 PolarHBondContact O-N 2.9Å; P53-Q55 PolarHBondContact O-N 3.19Å; P53-Q55 VanDerWaalsContact O-N 3.17Å; Q55-T73 PolarHBondContact O-N 3.17Å; Q55-T73 VanDerWaalsContact O-N 3.17Å; Q55-T73 PolarHBondContact O-OG1 2.72Å; Q55-F77 HydrophobicContact CB-CD1 4.34Å; Q55-F77 HydrophobicContact CB-CD2 3.72Å; Q55-F77 HydrophobicContact CB-CE1 4.49Å; Q55-F77 HydrophobicContact CB-CE2 3.91Å; Q55-F77 HydrophobicContact CB-CG 3.99Å; Q55-F77 HydrophobicContact CB-CZ 4.31Å; Q55-F77 HydrophobicContact CG-CD1 4.19Å; Q55-F77 HydrophobicContact CG-CD2 4Å; Q55-F77 HydrophobicContact CG-CE1 3.88Å; Q55-F77 HydrophobicContact CG-CE2 3.69Å; Q55-F77 HydrophobicContact CG-CG 4.27Å; Q55-F77 HydrophobicContact CG-CZ 3.64Å; Q55-F77 VanDerWaalsContact NE2-CE1 3.32Å
56L93.3Very high88Confident20 Ų2070.3 Ų70.311%0.10540%0.397CS..EExtended strand (participates in β ladder)trans-110.3129.9-178.1-52.5176.1000108.6L45 F51 P53 I59 V70 F72L45-L56 HydrophobicContact CB-CD1 4.17Å; L45-L56 HydrophobicContact CD1-CD1 3.7Å; L45-L56 HydrophobicContact CD1-CD2 4.39Å; F51-L56 HydrophobicContact CB-CD2 4.26Å; P53-L56 PolarHBondContact O-N 2.84Å; P53-L56 VanDerWaalsContact O-N 3.09Å; P53-L56 VanDerWaalsContact O-O 3.13Å; L56-I59 HydrophobicContact CD1-CD1 4.19Å; L56-V70 HydrophobicContact CD2-CG1 3.85Å; L56-F72 HydrophobicContact CD2-CD1 3.72Å; L56-F72 HydrophobicContact CD2-CE1 3.53Å; L56-F72 HydrophobicContact CD2-CZ 4.36Å
57D91.7Very high87.7Confident86 Ų8668 Ų6846%0.4639%0.388SS..EExtended strand (participates in β ladder)trans-92.1-53.7179.3-166.227.2000110.1V71 T73D57-V71 HydrophobicContact CB-CB 4.32Å; D57-V71 HydrophobicContact CB-CG1 4.15Å; D57-V71 PolarHBondContact N-O 3.34Å; D57-T73 HydrophobicContact CB-CG2 3.95Å
58Y91.9Very high87.6Confident129 Ų12961.7 Ų61.751%0.50636%0.361SS..EExtended strand (participates in β ladder)trans-137.5149.6178.1-66-81.7000112.5F60 V70 V71Y58-F60 HydrophobicContact CD1-CE1 4.35Å; Y58-F60 AromaticContact CD1-CZ 3.97Å; Y58-F60 HydrophobicContact CD1-CZ 3.97Å; Y58-F60 HydrophobicContact CG-CE2 4.14Å; Y58-F60 AromaticContact CG-CZ 3.78Å; Y58-F60 HydrophobicContact CG-CZ 3.78Å; Y58-V70 CarbonylContact O-C 3.6Å; Y58-V70 WeakPolarHBondContact O-CA 3.49Å; Y58-V71 PolarHBondContact N-O 2.95Å; Y58-V71 PolarHBondContact O-N 3.18Å
59I92.9Very high87.6Confident21 Ų2161.4 Ų61.411%0.10836%0.359CS..EExtended strand (participates in β ladder)trans-129.9108.4166.7-53.7172.3000107.2R37 F40 L45 L56 F68 E69 V70R37-I59 WeakPolarHBondContact CD-O 3.39Å; R37-I59 HydrophobicContact CG-CB 4.4Å; R37-I59 HydrophobicContact CG-CG2 3.91Å; F40-I59 HydrophobicContact CD1-CG2 4.3Å; L45-I59 HydrophobicContact CD1-CD1 3.68Å; L45-I59 HydrophobicContact CD1-CG1 4.17Å; L56-I59 HydrophobicContact CD1-CD1 4.19Å; I59-F68 HydrophobicContact CG2-CD1 4.37Å; I59-E69 CarbonylContact C-O 3.54Å; I59-E69 WeakPolarHBondContact CA-O 2.95Å; I59-V70 HydrophobicContact CG1-CG2 4.49Å; I59-V70 HydrophobicContact CG2-CG2 4.39Å
60F90.9Very high87.7Confident73 Ų7361 Ų6132%0.3236%0.357SS..EExtended strand (participates in β ladder)trans-95.8122.6175-57.1-71.2000109.4Y58 F68 E69 V71Y58-F60 HydrophobicContact CD1-CE1 4.35Å; Y58-F60 AromaticContact CD1-CZ 3.97Å; Y58-F60 HydrophobicContact CD1-CZ 3.97Å; Y58-F60 HydrophobicContact CG-CE2 4.14Å; Y58-F60 AromaticContact CG-CZ 3.78Å; Y58-F60 HydrophobicContact CG-CZ 3.78Å; F60-F68 CarbonylContact O-C 3.54Å; F60-F68 VanDerWaalsContact O-CA 3.3Å; F60-F68 WeakPolarHBondContact O-CA 3.32Å; F60-E69 HydrophobicContact CB-CB 4.25Å; F60-E69 HydrophobicContact CD2-CB 4.31Å; F60-E69 PolarHBondContact N-O 2.93Å; F60-E69 PolarHBondContact O-N 2.89Å; F60-V71 HydrophobicContact CE2-CG2 4.1Å
61A88.8Confident87.6Confident53 Ų5359.9 Ų59.944%0.43834%0.342SS..EExtended strand (participates in β ladder)trans-89.6116164.900000107.3R37 F68R37-A61 HydrophobicContact CB-CB 4.42Å; A61-F68 HydrophobicContact CB-CD1 3.97Å; A61-F68 HydrophobicContact CB-CE1 3.72Å
62L83Confident87.4Confident48 Ų4859.7 Ų59.725%0.25134%0.341SS..PPolyproline II helixtrans-76.7133.8-177.9-63.1179.1000110.2G64 R65 T67 E69L62-G64 PolarHBondContact O-N 3.32Å; L62-R65 PolarHBondContact O-N 3.22Å; L62-T67 PolarHBondContact N-O 2.84Å; L62-T67 VanDerWaalsContact N-O 3.14Å; L62-E69 HydrophobicContact CD1-CG 4.13Å; L62-E69 HydrophobicContact CG-CG 4.37Å
63P71.9Confident87.2Confident125 Ų12557.4 Ų57.481%0.81233%0.331SS*.THydrogen-bonded Turntrans-60.4133.4-176.8-16.425.9000111.8R65P63-R65 PolarHBondContact O-N 3.46Å
64G67.3Low86.7Confident92 Ų9256.1 Ų56.195%0.94832%0.323SS*.THydrogen-bonded Turntrans70.87173.500000115.7L62L62-G64 PolarHBondContact O-N 3.32Å
65R65.2Low86.2Confident184 Ų18455 Ų5569%0.69430%0.304SS*.SBendtrans-128.7142.5177-66.7-173.3178.41551.5110.4L62 P63 T67L62-R65 PolarHBondContact O-N 3.22Å; P63-R65 PolarHBondContact O-N 3.46Å; R65-T67 HydrophobicContact CB-CG2 3.95Å; R65-T67 WeakPolarHBondContact CB-OG1 2.96Å; R65-T67 PolarHBondContact O-N 3.4Å
66K80.4Confident85.7Confident62 Ų6258.4 Ų58.427%0.2733%0.327SS..SBendtrans-74.746.9175-52.7-172.8178.1-169.30111L29 D32 E34L29-K66 HydrophobicContact CB-CB 3.99Å; L29-K66 WeakPolarHBondContact CB-O 3.34Å; L29-K66 PolarHBondContact N-O 3.32Å; D32-K66 PolarHBondContact O-NZ 3.33Å; D32-K66 IonicContact OD1-NZ 2.72Å; D32-K66 PolarHBondContact OD1-NZ 3Å; E34-K66 HydrophobicContact CG-CD 4.18Å; E34-K66 WeakPolarHBondContact OE1-CE 3.43Å; E34-K66 IonicContact OE1-NZ 3.1Å; E34-K66 PolarHBondContact OE1-NZ 3.39Å
67T87.9Confident85.5Confident17 Ų1760 Ų6010%0.10433%0.333CS..EExtended strand (participates in β ladder)trans-132.3132.4-165.9600000111.6F27 D28 L62 R65F27-T67 CarbonylContact O-C 3.55Å; F27-T67 VanDerWaalsContact O-CA 3.25Å; F27-T67 WeakPolarHBondContact O-CA 3.46Å; D28-T67 HydrophobicContact CB-CG2 4.29Å; D28-T67 WeakPolarHBondContact OD1-CG2 3.28Å; L62-T67 PolarHBondContact N-O 2.84Å; L62-T67 VanDerWaalsContact N-O 3.14Å; R65-T67 HydrophobicContact CB-CG2 3.95Å; R65-T67 WeakPolarHBondContact CB-OG1 2.96Å; R65-T67 PolarHBondContact O-N 3.4Å
68F91.1Very high85.2Confident9 Ų955.9 Ų55.94%0.03931%0.311CS..EExtended strand (participates in β ladder)trans-119.3132.2-179.5-62.2-84.4000110.5R26 F27 L29 M35 R37 F40 I59 F60 A61R26-F68 CarbonylContact C-O 3.57Å; R26-F68 WeakPolarHBondContact CA-O 3.47Å; F27-F68 HydrophobicContact CB-CB 4.49Å; F27-F68 PolarHBondContact N-O 2.97Å; F27-F68 PolarHBondContact O-N 3.28Å; L29-F68 HydrophobicContact CD1-CD2 4.42Å; L29-F68 HydrophobicContact CD1-CE2 3.69Å; L29-F68 HydrophobicContact CG-CD2 4.4Å; L29-F68 HydrophobicContact CG-CE2 4.13Å; M35-F68 WeakPolarHBondContact O-CZ 3.3Å; R37-F68 HydrophobicContact CB-CE1 4.36Å; F40-F68 HydrophobicContact CB-CD1 4.35Å; F40-F68 HydrophobicContact CB-CD2 4.3Å; F40-F68 HydrophobicContact CB-CE1 4.12Å; F40-F68 HydrophobicContact CB-CE2 4.09Å; F40-F68 HydrophobicContact CB-CG 4.43Å; F40-F68 HydrophobicContact CB-CZ 3.99Å; F40-F68 HydrophobicContact CD1-CB 3.9Å; F40-F68 AromaticContact CD1-CD1 3.97Å; F40-F68 HydrophobicContact CD1-CD1 3.97Å; F40-F68 HydrophobicContact CD1-CD2 4.06Å; F40-F68 AromaticContact CD1-CG 3.68Å; F40-F68 HydrophobicContact CD1-CG 3.68Å; F40-F68 AromaticContact CD2-CD2 3.63Å; F40-F68 HydrophobicContact CD2-CD2 3.63Å; F40-F68 AromaticContact CD2-CE2 3.95Å; F40-F68 HydrophobicContact CD2-CE2 3.95Å; F40-F68 HydrophobicContact CD2-CG 4.13Å; F40-F68 HydrophobicContact CE1-CB 3.63Å; F40-F68 HydrophobicContact CE1-CD2 4.33Å; F40-F68 AromaticContact CE1-CG 3.93Å; F40-F68 HydrophobicContact CE1-CG 3.93Å; F40-F68 HydrophobicContact CE2-CB 4.44Å; F40-F68 AromaticContact CE2-CD2 3.93Å; F40-F68 HydrophobicContact CE2-CD2 3.93Å; F40-F68 HydrophobicContact CE2-CG 4.35Å; F40-F68 HydrophobicContact CG-CB 4.42Å; F40-F68 HydrophobicContact CG-CD1 4.13Å; F40-F68 AromaticContact CG-CD2 3.71Å; F40-F68 HydrophobicContact CG-CD2 3.71Å; F40-F68 HydrophobicContact CG-CE1 4.36Å; F40-F68 AromaticContact CG-CE2 3.98Å; F40-F68 HydrophobicContact CG-CE2 3.98Å; F40-F68 AromaticContact CG-CG 3.8Å; F40-F68 HydrophobicContact CG-CG 3.8Å; F40-F68 HydrophobicContact CG-CZ 4.29Å; F40-F68 HydrophobicContact CZ-CB 3.95Å; F40-F68 HydrophobicContact CZ-CD2 4.29Å; F40-F68 HydrophobicContact CZ-CG 4.27Å; I59-F68 HydrophobicContact CG2-CD1 4.37Å; F60-F68 CarbonylContact O-C 3.54Å; F60-F68 VanDerWaalsContact O-CA 3.3Å; F60-F68 WeakPolarHBondContact O-CA 3.32Å; A61-F68 HydrophobicContact CB-CD1 3.97Å; A61-F68 HydrophobicContact CB-CE1 3.72Å
69E91Very high84.7Confident13 Ų1351 Ų516%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-103.8123.1169-57.7-170.8163.800109.4V25 R26 I59 F60 L62 L103V25-E69 CarbonylContact O-C 3.48Å; V25-E69 WeakPolarHBondContact O-CA 3.17Å; R26-E69 HydrophobicContact CG-CG 4.44Å; R26-E69 IonicContact CZ-OE1 3.56Å; R26-E69 IonicContact NE-OE1 3.9Å; R26-E69 PolarHBondContact NE-OE1 2.86Å; R26-E69 IonicContact NH2-OE1 3.64Å; R26-E69 PolarHBondContact NH2-OE1 3.01Å; I59-E69 CarbonylContact C-O 3.54Å; I59-E69 WeakPolarHBondContact CA-O 2.95Å; F60-E69 HydrophobicContact CB-CB 4.25Å; F60-E69 HydrophobicContact CD2-CB 4.31Å; F60-E69 PolarHBondContact N-O 2.93Å; F60-E69 PolarHBondContact O-N 2.89Å; L62-E69 HydrophobicContact CD1-CG 4.13Å; L62-E69 HydrophobicContact CG-CG 4.37Å; E69-L103 HydrophobicContact CB-CD1 4.26Å; E69-L103 VanDerWaalsContact CD-CD1 3.44Å; E69-L103 HydrophobicContact CG-CD1 3.78Å; E69-L103 WeakPolarHBondContact OE1-CD1 3.29Å
70V92Very high84.4Confident0 Ų053.3 Ų53.30%030%0.302CS..EExtended strand (participates in β ladder)trans-113126.7-178.5-178.10000108.4A24 V25 F27 F40 L45 L56 Y58 I59 F72A24-V70 CarbonylContact C-O 3.59Å; A24-V70 VanDerWaalsContact CA-O 3.26Å; A24-V70 WeakPolarHBondContact CA-O 3.3Å; V25-V70 PolarHBondContact N-O 2.79Å; V25-V70 PolarHBondContact O-N 2.85Å; F27-V70 HydrophobicContact CD2-CB 4.35Å; F27-V70 HydrophobicContact CD2-CG2 3.74Å; F27-V70 HydrophobicContact CE2-CB 3.97Å; F27-V70 HydrophobicContact CE2-CG2 3.7Å; F40-V70 HydrophobicContact CE1-CG2 3.79Å; F40-V70 HydrophobicContact CZ-CG2 4.45Å; L45-V70 HydrophobicContact CD1-CG1 3.97Å; L45-V70 HydrophobicContact CD1-CG2 3.77Å; L45-V70 HydrophobicContact CD2-CG2 4.15Å; L56-V70 HydrophobicContact CD2-CG1 3.85Å; Y58-V70 CarbonylContact O-C 3.6Å; Y58-V70 WeakPolarHBondContact O-CA 3.49Å; I59-V70 HydrophobicContact CG1-CG2 4.49Å; I59-V70 HydrophobicContact CG2-CG2 4.39Å; V70-F72 HydrophobicContact CG1-CE1 4.49Å; V70-F72 HydrophobicContact CG1-CE2 4.11Å; V70-F72 HydrophobicContact CG1-CZ 4.07Å
71V91.4Very high84.3Confident18 Ų1849.9 Ų49.911%0.10929%0.287CS..EExtended strand (participates in β ladder)trans-106.8127.7174.1-174.30000108.1A24 D57 Y58 F60A24-V71 HydrophobicContact CB-CG2 4.14Å; D57-V71 HydrophobicContact CB-CB 4.32Å; D57-V71 HydrophobicContact CB-CG1 4.15Å; D57-V71 PolarHBondContact N-O 3.34Å; Y58-V71 PolarHBondContact N-O 2.95Å; Y58-V71 PolarHBondContact O-N 3.18Å; F60-V71 HydrophobicContact CE2-CG2 4.1Å
72F91.4Very high84.1Confident1 Ų147.5 Ų47.50%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-93.7144.8177-64.5-89.6000111.1N23 V25 F51 L56 V70 T74 F77 F78 C81N23-F72 HydrophobicContact CB-CB 4.2Å; N23-F72 VanDerWaalsContact CB-O 3.25Å; N23-F72 WeakPolarHBondContact CB-O 3.35Å; N23-F72 PolarHBondContact ND2-O 3.06Å; N23-F72 WeakPolarHBondContact O-CD2 3.35Å; N23-F72 PolarHBondContact O-N 3.03Å; V25-F72 HydrophobicContact CB-CE2 4.33Å; V25-F72 HydrophobicContact CG2-CD2 4.49Å; V25-F72 HydrophobicContact CG2-CE2 3.88Å; F51-F72 HydrophobicContact CD1-CD1 4.4Å; F51-F72 AromaticContact CD1-CE1 3.88Å; F51-F72 HydrophobicContact CD1-CE1 3.88Å; F51-F72 HydrophobicContact CD2-CE1 4.02Å; F51-F72 HydrophobicContact CE1-CD1 4.31Å; F51-F72 AromaticContact CE1-CE1 3.77Å; F51-F72 HydrophobicContact CE1-CE1 3.77Å; F51-F72 AromaticContact CE2-CE1 3.91Å; F51-F72 HydrophobicContact CE2-CE1 3.91Å; F51-F72 HydrophobicContact CE2-CZ 4.15Å; F51-F72 HydrophobicContact CG-CE1 4.02Å; F51-F72 AromaticContact CZ-CE1 3.8Å; F51-F72 HydrophobicContact CZ-CE1 3.8Å; F51-F72 HydrophobicContact CZ-CZ 4.24Å; L56-F72 HydrophobicContact CD2-CD1 3.72Å; L56-F72 HydrophobicContact CD2-CE1 3.53Å; L56-F72 HydrophobicContact CD2-CZ 4.36Å; V70-F72 HydrophobicContact CG1-CE1 4.49Å; V70-F72 HydrophobicContact CG1-CE2 4.11Å; V70-F72 HydrophobicContact CG1-CZ 4.07Å; F72-T74 PolarHBondContact O-N 3.13Å; F72-F77 HydrophobicContact CB-CB 4.11Å; F72-F77 HydrophobicContact CD1-CB 3.76Å; F72-F77 HydrophobicContact CG-CB 4.22Å; F72-F78 HydrophobicContact CB-CB 4.1Å; F72-F78 HydrophobicContact CD2-CB 3.92Å; F72-F78 HydrophobicContact CD2-CD2 4.22Å; F72-F78 HydrophobicContact CG-CB 4.21Å; F72-C81 HydrophobicContact CE1-CB 4.24Å; F72-C81 HydrophobicContact CE2-CB 3.9Å; F72-C81 HydrophobicContact CZ-CB 3.54Å
73T89.1Confident84.1Confident60 Ų6051.5 Ų51.537%0.36828%0.279SS..SBendtrans-63.3-28.7-179.855.10000112.5Q55 D57Q55-T73 PolarHBondContact O-N 3.17Å; Q55-T73 VanDerWaalsContact O-N 3.17Å; Q55-T73 PolarHBondContact O-OG1 2.72Å; D57-T73 HydrophobicContact CB-CG2 3.95Å
74T84.1Confident84.8Confident49 Ų4948.4 Ų48.430%0.30126%0.256SS..SBendtrans-134.8155-179.971.40000112.5F72 T76 F77 F78F72-T74 PolarHBondContact O-N 3.13Å; T74-T76 PolarHBondContact O-N 2.81Å; T74-T76 PolarHBondContact OG1-OG1 3.13Å; T74-F77 HydrophobicContact CG2-CD2 4.23Å; T74-F77 HydrophobicContact CG2-CE2 4.11Å; T74-F77 PolarHBondContact O-N 3.48Å; T74-F77 WeakPolarHBondContact OG1-CD2 3.31Å; T74-F77 WeakPolarHBondContact OG1-CE2 3.26Å; T74-F77 WeakPolarHBondContact OG1-CG 3.41Å; T74-F77 PolarHBondContact OG1-N 2.93Å; T74-F78 PolarHBondContact O-N 2.81Å
75N81.6Confident85.7Confident65 Ų6544 Ų4435%0.34821%0.21SC..Hα-helixtrans-61.6-32.2174-176.5-88.4000111.7N23 F77 F78 E79N23-N75 PolarHBondContact ND2-N 3.33Å; N23-N75 VanDerWaalsContact OD1-CA 3.29Å; N23-N75 WeakPolarHBondContact OD1-CA 3.39Å; N75-F77 PolarHBondContact O-N 3.5Å; N75-F78 WeakPolarHBondContact O-CB 3.23Å; N75-F78 PolarHBondContact O-N 2.84Å; N75-E79 WeakPolarHBondContact O-CB 2.96Å; N75-E79 WeakPolarHBondContact O-CG 3.38Å; N75-E79 PolarHBondContact O-N 3.23Å; N75-E79 WeakPolarHBondContact OD1-CG 3.49Å
76T82.9Confident86.7Confident101 Ų10138.9 Ų38.962%0.6219%0.194SC*.Hα-helixtrans-61.4-43.2178.1-1.10000112.4T74 K80T74-T76 PolarHBondContact O-N 2.81Å; T74-T76 PolarHBondContact OG1-OG1 3.13Å; T76-K80 VanDerWaalsContact O-CB 3.32Å; T76-K80 WeakPolarHBondContact O-CB 3.4Å; T76-K80 PolarHBondContact O-N 3.29Å
77F88.6Confident86.8Confident53 Ų5339.6 Ų39.623%0.23221%0.207CC..Hα-helixtrans-72.1-38.7176.8-60.8-46.2000112.1F51 Q55 F72 T74 N75 K80 C81F51-F77 HydrophobicContact CE1-CB 4.16Å; Q55-F77 HydrophobicContact CB-CD1 4.34Å; Q55-F77 HydrophobicContact CB-CD2 3.72Å; Q55-F77 HydrophobicContact CB-CE1 4.49Å; Q55-F77 HydrophobicContact CB-CE2 3.91Å; Q55-F77 HydrophobicContact CB-CG 3.99Å; Q55-F77 HydrophobicContact CB-CZ 4.31Å; Q55-F77 HydrophobicContact CG-CD1 4.19Å; Q55-F77 HydrophobicContact CG-CD2 4Å; Q55-F77 HydrophobicContact CG-CE1 3.88Å; Q55-F77 HydrophobicContact CG-CE2 3.69Å; Q55-F77 HydrophobicContact CG-CG 4.27Å; Q55-F77 HydrophobicContact CG-CZ 3.64Å; Q55-F77 VanDerWaalsContact NE2-CE1 3.32Å; F72-F77 HydrophobicContact CB-CB 4.11Å; F72-F77 HydrophobicContact CD1-CB 3.76Å; F72-F77 HydrophobicContact CG-CB 4.22Å; T74-F77 HydrophobicContact CG2-CD2 4.23Å; T74-F77 HydrophobicContact CG2-CE2 4.11Å; T74-F77 PolarHBondContact O-N 3.48Å; T74-F77 WeakPolarHBondContact OG1-CD2 3.31Å; T74-F77 WeakPolarHBondContact OG1-CE2 3.26Å; T74-F77 WeakPolarHBondContact OG1-CG 3.41Å; T74-F77 PolarHBondContact OG1-N 2.93Å; N75-F77 PolarHBondContact O-N 3.5Å; F77-K80 WeakPolarHBondContact O-CB 3.07Å; F77-K80 PolarHBondContact O-N 3.41Å; F77-C81 PolarHBondContact O-N 2.76Å
78F86.6Confident86.7Confident0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-58-51.9172.8164.7-100.8000111.9N23 A24 V25 F72 T74 N75 K80 C81 L82 S102 S104N23-F78 HydrophobicContact CB-CB 3.93Å; N23-F78 HydrophobicContact CB-CG 4.28Å; A24-F78 WeakPolarHBondContact O-CE2 3.4Å; V25-F78 HydrophobicContact CG2-CD2 3.59Å; V25-F78 HydrophobicContact CG2-CE2 3.52Å; F72-F78 HydrophobicContact CB-CB 4.1Å; F72-F78 HydrophobicContact CD2-CB 3.92Å; F72-F78 HydrophobicContact CD2-CD2 4.22Å; F72-F78 HydrophobicContact CG-CB 4.21Å; T74-F78 PolarHBondContact O-N 2.81Å; N75-F78 WeakPolarHBondContact O-CB 3.23Å; N75-F78 PolarHBondContact O-N 2.84Å; F78-K80 VanDerWaalsContact C-N 3.31Å; F78-K80 PolarHBondContact O-N 2.85Å; F78-C81 VanDerWaalsContact O-CB 3.3Å; F78-C81 WeakPolarHBondContact O-CB 3.45Å; F78-C81 PolarHBondContact O-N 2.84Å; F78-C81 VanDerWaalsContact O-N 3.08Å; F78-L82 HydrophobicContact CD1-CD1 4.48Å; F78-L82 HydrophobicContact CE1-CD1 3.75Å; F78-L82 HydrophobicContact CE2-CD1 4.01Å; F78-L82 HydrophobicContact CE2-CD2 4.48Å; F78-L82 HydrophobicContact CE2-CG 4.3Å; F78-L82 HydrophobicContact CZ-CD1 3.47Å; F78-L82 VanDerWaalsContact CZ-CD1 3.47Å; F78-L82 HydrophobicContact CZ-CG 4.24Å; F78-L82 PolarHBondContact O-N 2.79Å; F78-L82 VanDerWaalsContact O-N 3.13Å; F78-S102 WeakPolarHBondContact CZ-OG 3.33Å; F78-S104 WeakPolarHBondContact CE2-OG 3.04Å
79E81.6Confident86.5Confident26 Ų2642.3 Ų42.312%0.12122%0.219CC..Hα-helixtrans-65.5-33.7177.8-70.4-67154.400111.9N75 C81 L82 R83 R160N75-E79 WeakPolarHBondContact O-CB 2.96Å; N75-E79 WeakPolarHBondContact O-CG 3.38Å; N75-E79 PolarHBondContact O-N 3.23Å; N75-E79 WeakPolarHBondContact OD1-CG 3.49Å; E79-C81 VanDerWaalsContact C-N 3.31Å; E79-C81 PolarHBondContact O-N 3Å; E79-L82 PolarHBondContact O-N 2.93Å; E79-R83 WeakPolarHBondContact O-CG 3.35Å; E79-R83 PolarHBondContact O-N 3.32Å; E79-R83 VanDerWaalsContact O-N 3.09Å; E79-R160 IonicContact OE1-CZ 3.17Å; E79-R160 IonicContact OE1-NH1 2.79Å; E79-R160 IonicContact OE1-NH2 3.2Å; E79-R160 PolarHBondContact OE1-NH2 3.12Å; E79-R160 IonicContact OE2-NH1 3.31Å
80K86.5Confident86.1Confident70 Ų7047.8 Ų47.830%0.30425%0.253SS..Hα-helixtrans-61.3-40.6171.6-177.9-175.2175.2-168.20111.4F51 T76 F77 F78 N84F51-K80 HydrophobicContact CE1-CB 4.5Å; F51-K80 HydrophobicContact CE1-CD 4.13Å; F51-K80 HydrophobicContact CE1-CG 4.45Å; F51-K80 HydrophobicContact CZ-CG 4.41Å; T76-K80 VanDerWaalsContact O-CB 3.32Å; T76-K80 WeakPolarHBondContact O-CB 3.4Å; T76-K80 PolarHBondContact O-N 3.29Å; F77-K80 WeakPolarHBondContact O-CB 3.07Å; F77-K80 PolarHBondContact O-N 3.41Å; F78-K80 VanDerWaalsContact C-N 3.31Å; F78-K80 PolarHBondContact O-N 2.85Å; K80-N84 WeakPolarHBondContact O-CB 3.35Å; K80-N84 VanDerWaalsContact O-CG 3.28Å; K80-N84 PolarHBondContact O-N 2.78Å; K80-N84 VanDerWaalsContact O-N 3.14Å
81C88.6Confident85.9Confident1 Ų153 Ų531%0.00729%0.285CS..Hα-helixtrans-62.2-49.3178.2-171.40000110.8F51 F72 F77 F78 E79 R83 N84 F85F51-C81 HydrophobicContact CE2-CB 3.8Å; F51-C81 HydrophobicContact CZ-CB 3.54Å; F72-C81 HydrophobicContact CE1-CB 4.24Å; F72-C81 HydrophobicContact CE2-CB 3.9Å; F72-C81 HydrophobicContact CZ-CB 3.54Å; F77-C81 PolarHBondContact O-N 2.76Å; F78-C81 VanDerWaalsContact O-CB 3.3Å; F78-C81 WeakPolarHBondContact O-CB 3.45Å; F78-C81 PolarHBondContact O-N 2.84Å; F78-C81 VanDerWaalsContact O-N 3.08Å; E79-C81 VanDerWaalsContact C-N 3.31Å; E79-C81 PolarHBondContact O-N 3Å; C81-R83 PolarHBondContact O-N 2.76Å; C81-N84 PolarHBondContact O-N 3.42Å; C81-F85 WeakPolarHBondContact O-CB 3.4Å; C81-F85 PolarHBondContact O-N 3.18Å; C81-F85 VanDerWaalsContact O-N 3.09Å
82L84.3Confident85.6Confident4 Ų455.9 Ų55.92%0.02129%0.294CS..Hα-helixtrans-59.2-49.9-179.4-64.1-176000112.3V25 F78 E79 N84 M100V25-L82 HydrophobicContact CG2-CD2 4.09Å; F78-L82 HydrophobicContact CD1-CD1 4.48Å; F78-L82 HydrophobicContact CE1-CD1 3.75Å; F78-L82 HydrophobicContact CE2-CD1 4.01Å; F78-L82 HydrophobicContact CE2-CD2 4.48Å; F78-L82 HydrophobicContact CE2-CG 4.3Å; F78-L82 HydrophobicContact CZ-CD1 3.47Å; F78-L82 VanDerWaalsContact CZ-CD1 3.47Å; F78-L82 HydrophobicContact CZ-CG 4.24Å; F78-L82 PolarHBondContact O-N 2.79Å; F78-L82 VanDerWaalsContact O-N 3.13Å; E79-L82 PolarHBondContact O-N 2.93Å; L82-N84 PolarHBondContact O-N 2.78Å; L82-M100 HydrophobicContact CD2-CE 3.7Å; L82-M100 HydrophobicContact CD2-SD 4.33Å
83R83.2Confident85.2Confident131 Ų13161.3 Ų61.349%0.49433%0.329SS..Hα-helixtrans-63.5-40-178.4-70.9-170.4-54.2-94.6-0.9113.3E79 C81E79-R83 WeakPolarHBondContact O-CG 3.35Å; E79-R83 PolarHBondContact O-N 3.32Å; E79-R83 VanDerWaalsContact O-N 3.09Å; C81-R83 PolarHBondContact O-N 2.76Å
84N86.1Confident84.9Confident60 Ų6063 Ų6332%0.32133%0.333SS..Hα-helixtrans-85.3-23.9-171.2-68.23.2000112.8K80 C81 L82 E86 S87 L88K80-N84 WeakPolarHBondContact O-CB 3.35Å; K80-N84 VanDerWaalsContact O-CG 3.28Å; K80-N84 PolarHBondContact O-N 2.78Å; K80-N84 VanDerWaalsContact O-N 3.14Å; C81-N84 PolarHBondContact O-N 3.42Å; L82-N84 PolarHBondContact O-N 2.78Å; N84-E86 PolarHBondContact O-N 3.45Å; N84-S87 PolarHBondContact O-N 3.13Å; N84-L88 HydrophobicContact CB-CD1 3.95Å; N84-L88 HydrophobicContact CB-CG 4.43Å; N84-L88 WeakPolarHBondContact O-CB 3.38Å; N84-L88 WeakPolarHBondContact O-CG 3.3Å; N84-L88 PolarHBondContact O-N 3.29Å
85F87.4Confident84.9Confident0 Ų060.7 Ų60.70%032%0.319CS..Hα-helixtrans-57.3-51.7-169.4-178-99.6000113.4F27 L49 C81 S87 L88 K89 L95 V98 M100F27-F85 HydrophobicContact CD1-CE2 4.25Å; F27-F85 HydrophobicContact CE1-CD2 4.12Å; F27-F85 AromaticContact CE1-CE2 3.92Å; F27-F85 HydrophobicContact CE1-CE2 3.92Å; L49-F85 HydrophobicContact CD2-CD2 3.99Å; C81-F85 WeakPolarHBondContact O-CB 3.4Å; C81-F85 PolarHBondContact O-N 3.18Å; C81-F85 VanDerWaalsContact O-N 3.09Å; F85-S87 PolarHBondContact O-N 3.02Å; F85-L88 PolarHBondContact O-N 2.99Å; F85-K89 HydrophobicContact CE1-CD 3.87Å; F85-K89 HydrophobicContact CZ-CD 4.25Å; F85-K89 VanDerWaalsContact O-CB 3.26Å; F85-K89 WeakPolarHBondContact O-CB 3.4Å; F85-K89 PolarHBondContact O-N 3.09Å; F85-L95 HydrophobicContact CE2-CD2 4.28Å; F85-V98 HydrophobicContact CE2-CG1 4.2Å; F85-V98 HydrophobicContact CZ-CB 4.24Å; F85-V98 HydrophobicContact CZ-CG1 4.09Å; F85-V98 WeakPolarHBondContact CZ-O 3.44Å; F85-M100 HydrophobicContact CB-CE 3.32Å; F85-M100 HydrophobicContact CB-SD 3.69Å; F85-M100 HydrophobicContact CD1-CB 3.74Å; F85-M100 HydrophobicContact CD1-CE 3.62Å; F85-M100 HydrophobicContact CD1-CG 4.49Å; F85-M100 HydrophobicContact CD1-SD 4.05Å; F85-M100 HydrophobicContact CD2-CB 4.16Å; F85-M100 HydrophobicContact CD2-CE 4.26Å; F85-M100 HydrophobicContact CD2-CG 4.46Å; F85-M100 HydrophobicContact CD2-SD 3.67Å; F85-M100 HydrophobicContact CE1-CB 3.46Å; F85-M100 VanDerWaalsContact CE1-CB 3.46Å; F85-M100 HydrophobicContact CE2-CB 3.93Å; F85-M100 HydrophobicContact CE2-SD 4.32Å; F85-M100 HydrophobicContact CG-CB 4.08Å; F85-M100 HydrophobicContact CG-CE 3.47Å; F85-M100 VanDerWaalsContact CG-CE 3.47Å; F85-M100 HydrophobicContact CG-CG 4.43Å; F85-M100 HydrophobicContact CG-SD 3.52Å; F85-M100 VanDerWaalsContact CG-SD 3.52Å; F85-M100 HydrophobicContact CZ-CB 3.57Å
86E84.3Confident85Confident76 Ų7659.9 Ų59.936%0.35532%0.321SS..Hα-helixtrans-66-39.5-177.1-70.7-56.1141.200112.8N84 K89 T90N84-E86 PolarHBondContact O-N 3.45Å; E86-K89 PolarHBondContact O-N 2.99Å; E86-T90 PolarHBondContact O-N 3.49Å; E86-T90 PolarHBondContact O-OG1 3.39Å; E86-T90 VanDerWaalsContact O-OG1 3.1Å
87S84Confident85.1Confident77 Ų7757.7 Ų57.754%0.53831%0.306SS..Hα-helixtrans-61.4-47.3174.4173.20000111N84 F85 K89 T90 T91N84-S87 PolarHBondContact O-N 3.13Å; F85-S87 PolarHBondContact O-N 3.02Å; S87-K89 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact O-N 3.14Å; S87-T90 PolarHBondContact O-N 3.2Å; S87-T91 PolarHBondContact O-N 3.08Å; S87-T91 PolarHBondContact O-OG1 3.3Å
88L85.8Confident85Confident29 Ų2955.2 Ų55.215%0.15230%0.295CS..Hα-helixtrans-68.6-32.5178.4-64.9173.8000112L49 N84 F85 T90 T91 R92 L95L49-L88 HydrophobicContact CD2-CD1 3.91Å; N84-L88 HydrophobicContact CB-CD1 3.95Å; N84-L88 HydrophobicContact CB-CG 4.43Å; N84-L88 WeakPolarHBondContact O-CB 3.38Å; N84-L88 WeakPolarHBondContact O-CG 3.3Å; N84-L88 PolarHBondContact O-N 3.29Å; F85-L88 PolarHBondContact O-N 2.99Å; L88-T90 PolarHBondContact O-N 2.93Å; L88-T91 PolarHBondContact O-N 3.24Å; L88-R92 WeakPolarHBondContact O-CA 3.47Å; L88-R92 WeakPolarHBondContact O-CB 3.41Å; L88-R92 VanDerWaalsContact O-CG 3.27Å; L88-R92 WeakPolarHBondContact O-CG 3.38Å; L88-R92 PolarHBondContact O-N 2.85Å; L88-L95 HydrophobicContact CB-CD1 3.71Å
89K86.1Confident84.9Confident55 Ų5555.7 Ų55.724%0.23930%0.3CS..Hα-helixtrans-63-32.8176.3-177169.1179.3172.90112.6F85 E86 S87 L95 A96 V98F85-K89 HydrophobicContact CE1-CD 3.87Å; F85-K89 HydrophobicContact CZ-CD 4.25Å; F85-K89 VanDerWaalsContact O-CB 3.26Å; F85-K89 WeakPolarHBondContact O-CB 3.4Å; F85-K89 PolarHBondContact O-N 3.09Å; E86-K89 PolarHBondContact O-N 2.99Å; S87-K89 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact O-N 3.14Å; K89-L95 HydrophobicContact CB-CB 4.21Å; K89-L95 HydrophobicContact CG-CB 4.31Å; K89-A96 VanDerWaalsContact CE-O 3.3Å; K89-A96 WeakPolarHBondContact CE-O 3.47Å; K89-V98 PolarHBondContact NZ-O 3.47Å
90T83.8Confident85.2Confident128 Ų12855.9 Ų55.979%0.78530%0.301SS*.Hα-helixtrans-73.7-37.9176.2-53.50000111.6E86 S87 L88E86-T90 PolarHBondContact O-N 3.49Å; E86-T90 PolarHBondContact O-OG1 3.39Å; E86-T90 VanDerWaalsContact O-OG1 3.1Å; S87-T90 PolarHBondContact O-N 3.2Å; L88-T90 PolarHBondContact O-N 2.93Å
91T86.8Confident85.1Confident109 Ų10956.2 Ų56.267%0.66931%0.309SS*.Hα-helixtrans-84-28-178.3-43.10000113.1S87 L88S87-T91 PolarHBondContact O-N 3.08Å; S87-T91 PolarHBondContact O-OG1 3.3Å; L88-T91 PolarHBondContact O-N 3.24Å
92R85.1Confident84.7Confident79 Ų7957.6 Ų57.630%0.29832%0.319SS..  trans-116.6114-166.5-51.7-159.4-167.3-171.910.3112.1K47 E48 L88 Q94 L95K47-R92 PolarHBondContact O-NH1 2.95Å; E48-R92 PolarHBondContact O-NH1 3.33Å; E48-R92 PolarHBondContact O-NH2 2.75Å; E48-R92 WeakPolarHBondContact OE2-CD 3.29Å; E48-R92 IonicContact OE2-CZ 2.85Å; E48-R92 IonicContact OE2-NE 3.71Å; E48-R92 IonicContact OE2-NH1 3.39Å; E48-R92 PolarHBondContact OE2-NH1 3.39Å; L88-R92 WeakPolarHBondContact O-CA 3.47Å; L88-R92 WeakPolarHBondContact O-CB 3.41Å; L88-R92 VanDerWaalsContact O-CG 3.27Å; L88-R92 WeakPolarHBondContact O-CG 3.38Å; L88-R92 PolarHBondContact O-N 2.85Å; R92-Q94 PolarHBondContact O-N 2.8Å; R92-Q94 VanDerWaalsContact O-N 3.14Å; R92-L95 HydrophobicContact CB-CD1 4.31Å; R92-L95 HydrophobicContact CB-CG 4.48Å; R92-L95 PolarHBondContact O-N 2.86Å; R92-L95 VanDerWaalsContact O-N 3.08Å
93P82.7Confident84.4Confident114 Ų11459.4 Ų59.474%0.7433%0.328SS*.G310 helixtrans-64.6-25.7-174.624.4-33.2000113.1L95 A96P93-L95 PolarHBondContact O-N 2.84Å; P93-A96 WeakPolarHBondContact O-CB 3.47Å; P93-A96 PolarHBondContact O-N 2.85Å
94Q82.8Confident83.7Confident96 Ų9653.7 Ų53.745%0.44931%0.308SS..G310 helixtrans-66.1-21.5177.7-72.6-70.25.200113.7K33 E48 R92K33-Q94 PolarHBondContact NZ-O 2.78Å; E48-Q94 HydrophobicContact CG-CB 3.85Å; R92-Q94 PolarHBondContact O-N 2.8Å; R92-Q94 VanDerWaalsContact O-N 3.14Å
95L84.8Confident82.7Confident0 Ų055.8 Ų55.80%032%0.316CS..G310 helixtrans-94.7-9.3178.5-66.3177.7000113.1I44 E48 L49 F85 L88 K89 R92 P93 N97 V98I44-L95 HydrophobicContact CD1-CD2 4.38Å; I44-L95 HydrophobicContact CG2-CD2 3.86Å; E48-L95 HydrophobicContact CB-CD1 4.17Å; E48-L95 HydrophobicContact CB-CD2 3.95Å; E48-L95 HydrophobicContact CB-CG 4.02Å; E48-L95 HydrophobicContact CG-CD2 4.45Å; E48-L95 HydrophobicContact CG-CG 4.39Å; L49-L95 HydrophobicContact CD2-CD1 3.89Å; L49-L95 HydrophobicContact CD2-CD2 4.34Å; F85-L95 HydrophobicContact CE2-CD2 4.28Å; L88-L95 HydrophobicContact CB-CD1 3.71Å; K89-L95 HydrophobicContact CB-CB 4.21Å; K89-L95 HydrophobicContact CG-CB 4.31Å; R92-L95 HydrophobicContact CB-CD1 4.31Å; R92-L95 HydrophobicContact CB-CG 4.48Å; R92-L95 PolarHBondContact O-N 2.86Å; R92-L95 VanDerWaalsContact O-N 3.08Å; P93-L95 PolarHBondContact O-N 2.84Å; L95-N97 VanDerWaalsContact C-N 3.27Å; L95-N97 PolarHBondContact O-N 2.79Å; L95-V98 PolarHBondContact O-N 2.83Å
96A82.9Confident81.6Confident48 Ų4856.3 Ų56.340%0.39732%0.319SS..THydrogen-bonded Turntrans-56.2-41.7-175.900000112.4K89 P93 V98K89-A96 VanDerWaalsContact CE-O 3.3Å; K89-A96 WeakPolarHBondContact CE-O 3.47Å; P93-A96 WeakPolarHBondContact O-CB 3.47Å; P93-A96 PolarHBondContact O-N 2.85Å; A96-V98 VanDerWaalsContact C-N 3.33Å; A96-V98 PolarHBondContact O-N 2.77Å
97N85.5Confident80.9Confident56 Ų5657.4 Ų57.430%0.29932%0.324SS..THydrogen-bonded Turntrans-95.424.5179.5-60.4-27.6000113Q30 N31 L95Q30-N97 HydrophobicContact CB-CB 4.38Å; Q30-N97 WeakPolarHBondContact CB-O 3.36Å; Q30-N97 PolarHBondContact N-O 2.85Å; N31-N97 HydrophobicContact CB-CB 4.42Å; N31-N97 PolarHBondContact ND2-OD1 2.99Å; L95-N97 VanDerWaalsContact C-N 3.27Å; L95-N97 PolarHBondContact O-N 2.79Å
98V86.1Confident80.9Confident0 Ų057.1 Ų57.10%032%0.32CS..EExtended strand (participates in β ladder)trans-114120.1176-174.20000108.1F27 L29 I44 F85 K89 L95 A96F27-V98 HydrophobicContact CB-CG1 4.32Å; F27-V98 HydrophobicContact CD1-CG1 3.86Å; L29-V98 HydrophobicContact CD2-CG1 4.43Å; L29-V98 HydrophobicContact CD2-CG2 3.93Å; I44-V98 HydrophobicContact CD1-CG2 4.49Å; F85-V98 HydrophobicContact CE2-CG1 4.2Å; F85-V98 HydrophobicContact CZ-CB 4.24Å; F85-V98 HydrophobicContact CZ-CG1 4.09Å; F85-V98 WeakPolarHBondContact CZ-O 3.44Å; K89-V98 PolarHBondContact NZ-O 3.47Å; L95-V98 PolarHBondContact O-N 2.83Å; A96-V98 VanDerWaalsContact C-N 3.33Å; A96-V98 PolarHBondContact O-N 2.77Å
99G85.6Confident80.9Confident10 Ų1058.4 Ų58.410%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-86146.1164.800000109.6F27 D28F27-G99 CarbonylContact C-O 3.52Å; F27-G99 VanDerWaalsContact CA-O 3.26Å; F27-G99 WeakPolarHBondContact CA-O 3.32Å; D28-G99 PolarHBondContact N-O 3.31Å; D28-G99 PolarHBondContact O-N 3.06Å
100M87.6Confident81.2Confident31 Ų3158.2 Ų58.215%0.15333%0.328CS..EExtended strand (participates in β ladder)trans-133.8132.7175.4-174-171.868.100109.4V25 R26 F27 L82 F85V25-M100 HydrophobicContact CG1-CG 3.2Å; V25-M100 HydrophobicContact CG1-SD 3.7Å; R26-M100 CarbonylContact O-C 3.52Å; R26-M100 VanDerWaalsContact O-CA 3.31Å; R26-M100 WeakPolarHBondContact O-CA 3.33Å; F27-M100 HydrophobicContact CD1-CB 4.12Å; F27-M100 HydrophobicContact CD1-CG 3.98Å; F27-M100 HydrophobicContact CE1-CB 4.14Å; F27-M100 HydrophobicContact CE1-CG 3.68Å; F27-M100 HydrophobicContact CE1-SD 3.73Å; F27-M100 HydrophobicContact CZ-CG 4.08Å; F27-M100 HydrophobicContact CZ-SD 3.92Å; L82-M100 HydrophobicContact CD2-CE 3.7Å; L82-M100 HydrophobicContact CD2-SD 4.33Å; F85-M100 HydrophobicContact CB-CE 3.32Å; F85-M100 HydrophobicContact CB-SD 3.69Å; F85-M100 HydrophobicContact CD1-CB 3.74Å; F85-M100 HydrophobicContact CD1-CE 3.62Å; F85-M100 HydrophobicContact CD1-CG 4.49Å; F85-M100 HydrophobicContact CD1-SD 4.05Å; F85-M100 HydrophobicContact CD2-CB 4.16Å; F85-M100 HydrophobicContact CD2-CE 4.26Å; F85-M100 HydrophobicContact CD2-CG 4.46Å; F85-M100 HydrophobicContact CD2-SD 3.67Å; F85-M100 HydrophobicContact CE1-CB 3.46Å; F85-M100 VanDerWaalsContact CE1-CB 3.46Å; F85-M100 HydrophobicContact CE2-CB 3.93Å; F85-M100 HydrophobicContact CE2-SD 4.32Å; F85-M100 HydrophobicContact CG-CB 4.08Å; F85-M100 HydrophobicContact CG-CE 3.47Å; F85-M100 VanDerWaalsContact CG-CE 3.47Å; F85-M100 HydrophobicContact CG-CG 4.43Å; F85-M100 HydrophobicContact CG-SD 3.52Å; F85-M100 VanDerWaalsContact CG-SD 3.52Å; F85-M100 HydrophobicContact CZ-CB 3.57Å
101V83.4Confident81.7Confident76 Ų7652.1 Ų52.146%0.46129%0.291SS..EExtended strand (participates in β ladder)trans-132.3129.8178.4-177.60000109.2V25 R26 L103V25-V101 CarbonylContact C-O 3.54Å; R26-V101 HydrophobicContact CB-CB 4.47Å; R26-V101 PolarHBondContact N-O 2.85Å; R26-V101 PolarHBondContact O-N 2.8Å; V101-L103 PolarHBondContact O-N 2.79Å
102S81.1Confident82.1Confident31 Ų3148.3 Ų48.322%0.21727%0.268CS..EExtended strand (participates in β ladder)trans-68.6126.4172.21740000110.6F78 S104F78-S102 WeakPolarHBondContact CZ-OG 3.33Å; S102-S104 PolarHBondContact OG-O 2.77Å
103L77.1Confident82.6Confident42 Ų4244.6 Ų44.622%0.2225%0.254CS..  trans-96.7-13.8172.2-62-179.2000112.8A24 R26 E69 V101A24-L103 HydrophobicContact CB-CB 3.96Å; A24-L103 PolarHBondContact O-N 2.83Å; R26-L103 HydrophobicContact CB-CD1 3.89Å; R26-L103 HydrophobicContact CB-CD2 4Å; R26-L103 HydrophobicContact CB-CG 3.86Å; E69-L103 HydrophobicContact CB-CD1 4.26Å; E69-L103 VanDerWaalsContact CD-CD1 3.44Å; E69-L103 HydrophobicContact CG-CD1 3.78Å; E69-L103 WeakPolarHBondContact OE1-CD1 3.29Å; V101-L103 PolarHBondContact O-N 2.79Å
104S70Confident83.1Confident10 Ų1041.5 Ų41.57%0.0723%0.23CC..SBendtrans-77.7127.1175.6-50.90000110.5R21 N23 A24 F78 S102R21-S104 VanDerWaalsContact O-CA 3.25Å; R21-S104 WeakPolarHBondContact O-CA 3.49Å; R21-S104 PolarHBondContact O-OG 2.85Å; R21-S104 VanDerWaalsContact O-OG 3.13Å; N23-S104 VanDerWaalsContact C-OG 3.32Å; N23-S104 VanDerWaalsContact CA-OG 3.22Å; N23-S104 WeakPolarHBondContact CA-OG 2.91Å; N23-S104 PolarHBondContact N-OG 2.71Å; A24-S104 PolarHBondContact N-OG 3.38Å; A24-S104 PolarHBondContact O-N 2.97Å; A24-S104 VanDerWaalsContact O-N 3.13Å; A24-S104 PolarHBondContact O-OG 2.97Å; F78-S104 WeakPolarHBondContact CE2-OG 3.04Å; S102-S104 PolarHBondContact OG-O 2.77Å
105Q63.5Low83.6Confident104 Ų10437.1 Ų37.149%0.48621%0.21SC..PPolyproline II helixtrans-69.1147.9161.7-51.5-172.2-11.200109.3E107 Q157Q105-E107 PolarHBondContact O-N 2.89Å; Q105-Q157 VanDerWaalsContact OE1-NE2 3.12Å
106T65Low83.8Confident11 Ų1144.2 Ų44.27%0.06724%0.241CC..PPolyproline II helixtrans-61.7135.3172.747.10000108.8Q157 L158 R160 I167T106-Q157 WeakPolarHBondContact O-CG 3.36Å; T106-Q157 PolarHBondContact O-NE2 3.22Å; T106-Q157 WeakPolarHBondContact OG1-CG 3.48Å; T106-L158 WeakPolarHBondContact CG2-O 3.31Å; T106-L158 PolarHBondContact OG1-N 2.96Å; T106-L158 PolarHBondContact OG1-O 3.32Å; T106-R160 HydrophobicContact CG2-CG 3.93Å; T106-I167 HydrophobicContact CG2-CD1 4.25Å; T106-I167 HydrophobicContact CG2-CG1 4.12Å
107E70.1Confident83.9Confident100 Ų10042.9 Ų42.947%0.46723%0.229SC..PPolyproline II helixtrans-59.8137.6172.3-73.4-178.7170.100108.5R22 Q105 K109R22-E107 IonicContact CZ-OE1 3.99Å; R22-E107 VanDerWaalsContact CZ-OE1 3.31Å; R22-E107 IonicContact NE-OE1 3.03Å; R22-E107 PolarHBondContact NE-OE1 3.14Å; R22-E107 IonicContact NH2-OE1 2.74Å; R22-E107 PolarHBondContact NH2-OE1 3Å; Q105-E107 PolarHBondContact O-N 2.89Å; E107-K109 PolarHBondContact O-N 3.47Å
108P83.1Confident83.8Confident70 Ų7046.7 Ų46.746%0.45525%0.245SC..PPolyproline II helixtrans-53.9130.4175.3-26.734.9000111I136 V156P108-I136 HydrophobicContact CB-CD1 3.82Å; P108-I136 HydrophobicContact CG-CD1 3.92Å; P108-V156 CarbonylContact C-O 3.54Å; P108-V156 WeakPolarHBondContact CA-O 3.45Å
109K86Confident83.7Confident56 Ų5653 Ų5324%0.24328%0.275CS..EExtended strand (participates in β ladder)trans-107.5138.1177.3-72-179.2178.1-72.70110.3E107 V156 L158 Y185 P186E107-K109 PolarHBondContact O-N 3.47Å; K109-V156 PolarHBondContact N-O 3.24Å; K109-V156 PolarHBondContact O-N 3.34Å; K109-L158 HydrophobicContact CD-CD1 3.69Å; K109-L158 HydrophobicContact CD-CG 4.24Å; K109-Y185 HydrophobicContact CD-CD2 3.9Å; K109-Y185 HydrophobicContact CD-CE2 4.26Å; K109-P186 PolarHBondContact NZ-O 3.23Å
110T91.6Very high83.8Confident52 Ų5252.6 Ų52.632%0.31927%0.27SS..EExtended strand (participates in β ladder)trans-82.5116169.1-51.50000109.2R153 F154 F155 Y185T110-R153 VanDerWaalsContact CG2-CD 3.43Å; T110-R153 HydrophobicContact CG2-CG 3.51Å; T110-F154 CarbonylContact C-O 3.53Å; T110-F154 WeakPolarHBondContact CA-O 3.31Å; T110-F155 HydrophobicContact CG2-CE1 4.35Å; T110-F155 HydrophobicContact CG2-CZ 4.22Å; T110-F155 WeakPolarHBondContact OG1-CE1 3.38Å; T110-Y185 WeakPolarHBondContact O-CB 3.35Å
111I94.5Very high84Confident0 Ų055.7 Ų55.70%028%0.28CS..EExtended strand (participates in β ladder)trans-107.4135.5177.4-60.3165.9000109.1V113 L129 R153 F154 V156 L170 V183 F184 Y185I111-V113 HydrophobicContact CG2-CG2 3.94Å; I111-L129 HydrophobicContact CD1-CD2 4.1Å; I111-R153 CarbonylContact O-C 3.57Å; I111-R153 VanDerWaalsContact O-CA 3.31Å; I111-R153 WeakPolarHBondContact O-CA 3.36Å; I111-F154 PolarHBondContact N-O 3Å; I111-F154 PolarHBondContact O-N 2.85Å; I111-V156 HydrophobicContact CD1-CB 4.06Å; I111-V156 HydrophobicContact CD1-CG1 3.77Å; I111-V156 HydrophobicContact CD1-CG2 3.1Å; I111-V156 HydrophobicContact CG1-CG2 4.11Å; I111-L170 HydrophobicContact CD1-CD1 3.13Å; I111-L170 HydrophobicContact CG1-CD1 4.2Å; I111-V183 HydrophobicContact CG2-CG1 3.53Å; I111-F184 WeakPolarHBondContact CA-O 3.29Å; I111-Y185 HydrophobicContact CG1-CD1 4.2Å; I111-Y185 HydrophobicContact CG1-CG 4.17Å
112T95.4Very high84.3Confident29 Ų2953.7 Ų53.718%0.17827%0.266CS..EExtended strand (participates in β ladder)trans-106.9123.5168.9-55.70000109.1L114 M141 R152 V183 F184T112-L114 HydrophobicContact CG2-CD2 4.09Å; T112-M141 HydrophobicContact CG2-CE 3.53Å; T112-M141 HydrophobicContact CG2-SD 4.23Å; T112-R152 WeakPolarHBondContact CA-O 3.45Å; T112-V183 WeakPolarHBondContact O-CA 3.35Å; T112-F184 PolarHBondContact N-O 2.97Å; T112-F184 PolarHBondContact O-N 3.41Å
113V95.6Very high84.8Confident0 Ų056.7 Ų56.70%028%0.276CS..EExtended strand (participates in β ladder)trans-111.2121.1174.7-176.10000108.2I111 M115 I125 G151 R152 F154 I174 H182 V183I111-V113 HydrophobicContact CG2-CG2 3.94Å; V113-M115 HydrophobicContact CG1-CG 4.1Å; V113-M115 HydrophobicContact CG1-SD 4.43Å; V113-I125 HydrophobicContact CB-CG2 4.2Å; V113-I125 HydrophobicContact CG1-CD1 4.04Å; V113-I125 HydrophobicContact CG1-CG1 4.37Å; V113-I125 HydrophobicContact CG1-CG2 4.03Å; V113-I125 HydrophobicContact CG2-CG2 3.9Å; V113-G151 CarbonylContact O-C 3.48Å; V113-G151 WeakPolarHBondContact O-CA 3.42Å; V113-R152 PolarHBondContact N-O 2.82Å; V113-R152 PolarHBondContact O-N 3.02Å; V113-F154 HydrophobicContact CG2-CD2 4.2Å; V113-F154 HydrophobicContact CG2-CE2 4.49Å; V113-I174 HydrophobicContact CG1-CG2 4.14Å; V113-H182 CarbonylContact C-O 3.51Å; V113-H182 VanDerWaalsContact CA-O 3.31Å; V113-H182 WeakPolarHBondContact CA-O 3.24Å; V113-V183 HydrophobicContact CG1-CG2 4.29Å; V113-V183 HydrophobicContact CG2-CG1 4.35Å; V113-V183 HydrophobicContact CG2-CG2 4.22Å
114L94.3Very high85.5Confident49 Ų4954.7 Ų54.726%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-101.2116173.5-59.2-175.5000108.8T112 F116 M141 G181 H182 F184T112-L114 HydrophobicContact CG2-CD2 4.09Å; L114-F116 HydrophobicContact CB-CZ 4.33Å; L114-M141 HydrophobicContact CD2-CE 4.08Å; L114-G181 CarbonylContact O-C 3.56Å; L114-G181 WeakPolarHBondContact O-CA 3.45Å; L114-H182 PolarHBondContact N-O 2.98Å; L114-H182 PolarHBondContact O-N 3.38Å; L114-F184 HydrophobicContact CD1-CE2 3.88Å; L114-F184 HydrophobicContact CG-CE2 4.17Å
115M92.7Very high86.6Confident4 Ų454.2 Ų54.22%0.0226%0.263CS..EExtended strand (participates in β ladder)trans-117.6124.4173-71-56.9-61.900109.8V113 S117 V120 I125 G150 I174 I179V113-M115 HydrophobicContact CG1-CG 4.1Å; V113-M115 HydrophobicContact CG1-SD 4.43Å; M115-S117 PolarHBondContact O-N 2.79Å; M115-V120 HydrophobicContact CE-CB 4.06Å; M115-V120 HydrophobicContact CE-CG1 4.08Å; M115-V120 HydrophobicContact CE-CG2 3.81Å; M115-V120 HydrophobicContact CG-CG1 4.36Å; M115-I125 HydrophobicContact CG-CD1 3.71Å; M115-I125 HydrophobicContact CG-CG1 4.26Å; M115-G150 PolarHBondContact N-O 3.15Å; M115-I174 HydrophobicContact SD-CG2 3.45Å; M115-I174 WeakPolarHBondContact SD-CG2 3.46Å; M115-I179 HydrophobicContact CE-CB 4.46Å; M115-I179 HydrophobicContact CE-CG2 3.45Å; M115-I179 VanDerWaalsContact CE-CG2 3.45Å
116F88Confident88Confident150 Ų15053.7 Ų53.766%0.65826%0.259SS*.  trans-93.936.5178.7-51.3-70000112.1L114 H182L114-F116 HydrophobicContact CB-CZ 4.33Å; F116-H182 AromaticContact CE2-CD2 3.88Å
117S86.3Confident89.3Confident20 Ų2054.2 Ų54.214%0.1426%0.262CS..  trans-150130.6175.8179.40000110.5M115 Q119M115-S117 PolarHBondContact O-N 2.79Å; S117-Q119 VanDerWaalsContact C-N 3.27Å; S117-Q119 PolarHBondContact O-N 3.11Å; S117-Q119 PolarHBondContact OG-N 2.83Å
118E83Confident90.4Very high136 Ų13650 Ų5064%0.63624%0.242SC*.THydrogen-bonded Turntrans-70.9-19.8175.973.9-68.8169.200113.4V120E118-V120 VanDerWaalsContact C-N 3.32Å
119Q84.3Confident90.9Very high133 Ų13346.6 Ų46.662%0.62122%0.22SC*.THydrogen-bonded Turntrans-68.8-32.3178.4-62.4-174.5-4.900112.1S117 I179S117-Q119 VanDerWaalsContact C-N 3.27Å; S117-Q119 PolarHBondContact O-N 3.11Å; S117-Q119 PolarHBondContact OG-N 2.83Å; Q119-I179 HydrophobicContact CB-CD1 4.19Å
120V87.9Confident91.2Very high0 Ų048.1 Ų48.10%023%0.228CC..SBendtrans-83.4118.8176.9177.70000108.2M115 E118 D124 I125 R152 L176 I179 F239M115-V120 HydrophobicContact CE-CB 4.06Å; M115-V120 HydrophobicContact CE-CG1 4.08Å; M115-V120 HydrophobicContact CE-CG2 3.81Å; M115-V120 HydrophobicContact CG-CG1 4.36Å; E118-V120 VanDerWaalsContact C-N 3.32Å; V120-D124 HydrophobicContact CG1-CB 3.96Å; V120-I125 HydrophobicContact CG1-CD1 4.34Å; V120-I125 HydrophobicContact CG1-CG1 3.97Å; V120-R152 PolarHBondContact O-NH1 3.29Å; V120-R152 PolarHBondContact O-NH2 3.49Å; V120-L176 HydrophobicContact CG1-CD1 3.64Å; V120-L176 HydrophobicContact CG2-CD1 4.11Å; V120-I179 HydrophobicContact CG2-CB 4.31Å; V120-I179 HydrophobicContact CG2-CD1 3.65Å; V120-I179 HydrophobicContact CG2-CG2 3.95Å; V120-F239 HydrophobicContact CG2-CZ 4.49Å
121R90.3Very high91Very high97 Ų9748 Ų4837%0.36622%0.224SC..  trans-92.1174.9178.6-62-60.1-167.9-176.6-2112.2E123 D124 I125 Y246R121-E123 VanDerWaalsContact CB-OE2 3.23Å; R121-E123 WeakPolarHBondContact CB-OE2 3.5Å; R121-E123 PolarHBondContact O-N 3.43Å; R121-D124 PolarHBondContact N-OD2 3.26Å; R121-D124 PolarHBondContact O-N 3.42Å; R121-I125 PolarHBondContact O-N 3.09Å; R121-Y246 HydrophobicContact CB-CD1 4.17Å; R121-Y246 HydrophobicContact CB-CG 4.06Å; R121-Y246 HydrophobicContact CG-CD1 3.53Å; R121-Y246 HydrophobicContact CG-CE1 3.89Å; R121-Y246 HydrophobicContact CG-CG 3.94Å
122M90.7Very high90.7Very high33 Ų3351.4 Ų51.416%0.16324%0.237CC..Hα-helixtrans-62.4-35.2178.7-81.2-95.1-73.500111.6I125 K126 E140 R152 F154M122-I125 PolarHBondContact O-N 3.43Å; M122-K126 WeakPolarHBondContact O-CB 3.49Å; M122-K126 PolarHBondContact O-N 3.14Å; M122-E140 HydrophobicContact CE-CG 4.3Å; M122-E140 HydrophobicContact CG-CG 3.65Å; M122-E140 HydrophobicContact SD-CG 3.69Å; M122-R152 HydrophobicContact CG-CG 4.46Å; M122-R152 HydrophobicContact SD-CB 4.02Å; M122-R152 HydrophobicContact SD-CG 3.76Å; M122-F154 HydrophobicContact CE-CZ 4.46Å; M122-F154 HydrophobicContact SD-CE1 4.41Å; M122-F154 HydrophobicContact SD-CE2 4.34Å; M122-F154 HydrophobicContact SD-CZ 3.75Å
123E91.3Very high90.4Very high94 Ų9450.1 Ų50.144%0.43923%0.229SC..Hα-helixtrans-65.9-38.5-179.2-64.368.4-151.100111.3R121 K126 T127 Y246R121-E123 VanDerWaalsContact CB-OE2 3.23Å; R121-E123 WeakPolarHBondContact CB-OE2 3.5Å; R121-E123 PolarHBondContact O-N 3.43Å; E123-K126 PolarHBondContact O-N 2.77Å; E123-T127 WeakPolarHBondContact O-CB 3.24Å; E123-T127 PolarHBondContact O-N 3.47Å; E123-T127 PolarHBondContact O-OG1 3.27Å; E123-Y246 HydrophobicContact CB-CD2 4.11Å; E123-Y246 HydrophobicContact CG-CD2 3.98Å; E123-Y246 HydrophobicContact CG-CE2 4.5Å
124D92.1Very high90.2Very high1 Ų153.8 Ų53.81%0.00525%0.252CS..Hα-helixtrans-64.8-48175.5-61.2-46.2000110.5V120 R121 K126 T127 W128 L176 L231 S245 Y246V120-D124 HydrophobicContact CG1-CB 3.96Å; R121-D124 PolarHBondContact N-OD2 3.26Å; R121-D124 PolarHBondContact O-N 3.42Å; D124-K126 VanDerWaalsContact C-N 3.29Å; D124-K126 PolarHBondContact O-N 3.37Å; D124-T127 WeakPolarHBondContact O-CB 3.48Å; D124-T127 PolarHBondContact O-N 3.34Å; D124-W128 WeakPolarHBondContact O-CB 3.36Å; D124-W128 PolarHBondContact O-N 3.08Å; D124-L176 HydrophobicContact CB-CD1 4.31Å; D124-L231 HydrophobicContact CB-CD1 3.89Å; D124-L231 WeakPolarHBondContact O-CD1 3.49Å; D124-S245 WeakPolarHBondContact OD1-CA 3.44Å; D124-Y246 PolarHBondContact OD1-N 3.25Å
125I92.9Very high90Very high0 Ų052.3 Ų52.30%024%0.244CC..Hα-helixtrans-63.8-39.1177.5-64.7162.2000110.7V113 M115 V120 R121 M122 T127 W128 L129 R152 F154 I174V113-I125 HydrophobicContact CB-CG2 4.2Å; V113-I125 HydrophobicContact CG1-CD1 4.04Å; V113-I125 HydrophobicContact CG1-CG1 4.37Å; V113-I125 HydrophobicContact CG1-CG2 4.03Å; V113-I125 HydrophobicContact CG2-CG2 3.9Å; M115-I125 HydrophobicContact CG-CD1 3.71Å; M115-I125 HydrophobicContact CG-CG1 4.26Å; V120-I125 HydrophobicContact CG1-CD1 4.34Å; V120-I125 HydrophobicContact CG1-CG1 3.97Å; R121-I125 PolarHBondContact O-N 3.09Å; M122-I125 PolarHBondContact O-N 3.43Å; I125-T127 VanDerWaalsContact C-N 3.34Å; I125-T127 PolarHBondContact O-N 2.94Å; I125-W128 WeakPolarHBondContact O-CB 3.42Å; I125-W128 PolarHBondContact O-N 3.41Å; I125-L129 HydrophobicContact CG2-CD1 3.87Å; I125-L129 HydrophobicContact CG2-CG 4.13Å; I125-L129 WeakPolarHBondContact O-CB 3.22Å; I125-L129 VanDerWaalsContact O-CG 3.27Å; I125-L129 WeakPolarHBondContact O-CG 3.31Å; I125-L129 PolarHBondContact O-N 2.85Å; I125-R152 HydrophobicContact CD1-CG 4.43Å; I125-F154 HydrophobicContact CB-CE2 4.09Å; I125-F154 HydrophobicContact CB-CZ 4.06Å; I125-F154 HydrophobicContact CG2-CD2 4.14Å; I125-F154 HydrophobicContact CG2-CE2 3.44Å; I125-F154 VanDerWaalsContact CG2-CE2 3.44Å; I125-F154 HydrophobicContact CG2-CZ 3.82Å; I125-I174 HydrophobicContact CG1-CD1 4.28Å
126K93.3Very high89.9Confident92 Ų9256.9 Ų56.940%0.427%0.268SS..Hα-helixtrans-59.2-47.3175.4-177.4177.6-179.3-177.60110.8M122 E123 D124 W128 L129 Q130 V135 F154M122-K126 WeakPolarHBondContact O-CB 3.49Å; M122-K126 PolarHBondContact O-N 3.14Å; E123-K126 PolarHBondContact O-N 2.77Å; D124-K126 VanDerWaalsContact C-N 3.29Å; D124-K126 PolarHBondContact O-N 3.37Å; K126-W128 VanDerWaalsContact C-N 3.31Å; K126-W128 PolarHBondContact O-N 2.8Å; K126-L129 PolarHBondContact O-N 3.24Å; K126-Q130 WeakPolarHBondContact O-CB 3.38Å; K126-Q130 VanDerWaalsContact O-CG 3.25Å; K126-Q130 WeakPolarHBondContact O-CG 3.15Å; K126-Q130 PolarHBondContact O-N 3.17Å; K126-V135 HydrophobicContact CG-CB 4.2Å; K126-V135 HydrophobicContact CG-CG1 4.12Å; K126-V135 HydrophobicContact CG-CG2 4.22Å; K126-F154 HydrophobicContact CB-CE1 4.31Å
127T92.5Very high90.1Very high23 Ų2354.1 Ų54.114%0.14126%0.257CS..Hα-helixtrans-59.5-44.1176.9-56.90000111E123 D124 I125 Q130 L231E123-T127 WeakPolarHBondContact O-CB 3.24Å; E123-T127 PolarHBondContact O-N 3.47Å; E123-T127 PolarHBondContact O-OG1 3.27Å; D124-T127 WeakPolarHBondContact O-CB 3.48Å; D124-T127 PolarHBondContact O-N 3.34Å; I125-T127 VanDerWaalsContact C-N 3.34Å; I125-T127 PolarHBondContact O-N 2.94Å; T127-Q130 PolarHBondContact O-N 2.85Å; T127-L231 HydrophobicContact CG2-CD1 4.43Å; T127-L231 HydrophobicContact CG2-CG 4.09Å
128W93.4Very high90.3Very high10 Ų1054.6 Ų54.64%0.03827%0.265CS..Hα-helixtrans-61.9-45.1176.2-176.885.2000112.8D124 I125 K126 Q130 Q131 L170 P171 I174 V183 L231D124-W128 WeakPolarHBondContact O-CB 3.36Å; D124-W128 PolarHBondContact O-N 3.08Å; I125-W128 WeakPolarHBondContact O-CB 3.42Å; I125-W128 PolarHBondContact O-N 3.41Å; K126-W128 VanDerWaalsContact C-N 3.31Å; K126-W128 PolarHBondContact O-N 2.8Å; W128-Q130 VanDerWaalsContact C-N 3.31Å; W128-Q130 PolarHBondContact O-N 2.87Å; W128-Q131 WeakPolarHBondContact O-CB 3.46Å; W128-Q131 WeakPolarHBondContact O-CG 3.43Å; W128-Q131 PolarHBondContact O-N 3.37Å; W128-L170 HydrophobicContact CZ3-CD2 4.19Å; W128-P171 HydrophobicContact CH2-CG 3.63Å; W128-P171 HydrophobicContact CZ2-CG 3.42Å; W128-P171 VanDerWaalsContact CZ2-CG 3.42Å; W128-I174 HydrophobicContact CB-CD1 4.02Å; W128-I174 HydrophobicContact CD2-CB 4.37Å; W128-I174 HydrophobicContact CD2-CD1 3.48Å; W128-I174 VanDerWaalsContact CD2-CD1 3.48Å; W128-I174 HydrophobicContact CD2-CG1 3.79Å; W128-I174 HydrophobicContact CE3-CD1 3.76Å; W128-I174 HydrophobicContact CE3-CG1 4.31Å; W128-I174 HydrophobicContact CG-CD1 3.58Å; W128-I174 HydrophobicContact CG-CG1 4.02Å; W128-I174 HydrophobicContact CH2-CB 4.12Å; W128-I174 HydrophobicContact CZ2-CB 3.87Å; W128-I174 HydrophobicContact CZ2-CG1 4.05Å; W128-I174 HydrophobicContact CZ3-CB 4.46Å; W128-I174 HydrophobicContact CZ3-CD1 4.41Å; W128-V183 HydrophobicContact CH2-CG2 3.8Å; W128-V183 HydrophobicContact CZ3-CG2 3.85Å; W128-L231 HydrophobicContact CB-CD1 4.33Å
129L93.6Very high90.8Very high0 Ų052.4 Ų52.40%025%0.252CS..Hα-helixtrans-63.6-37177-73.6171.1000111.6I111 I125 K126 Q131 R132 S133 V135 F154 V156 L170I111-L129 HydrophobicContact CD1-CD2 4.1Å; I125-L129 HydrophobicContact CG2-CD1 3.87Å; I125-L129 HydrophobicContact CG2-CG 4.13Å; I125-L129 WeakPolarHBondContact O-CB 3.22Å; I125-L129 VanDerWaalsContact O-CG 3.27Å; I125-L129 WeakPolarHBondContact O-CG 3.31Å; I125-L129 PolarHBondContact O-N 2.85Å; K126-L129 PolarHBondContact O-N 3.24Å; L129-Q131 PolarHBondContact O-N 2.87Å; L129-Q131 VanDerWaalsContact O-N 3.16Å; L129-R132 PolarHBondContact O-N 2.74Å; L129-R132 VanDerWaalsContact O-N 3.14Å; L129-S133 PolarHBondContact O-N 3.25Å; L129-S133 PolarHBondContact O-OG 3.44Å; L129-V135 HydrophobicContact CB-CG2 3.55Å; L129-V135 HydrophobicContact CD1-CG2 4.2Å; L129-F154 HydrophobicContact CD1-CB 3.76Å; L129-F154 HydrophobicContact CD1-CD1 3.86Å; L129-F154 HydrophobicContact CD1-CD2 3.62Å; L129-F154 HydrophobicContact CD1-CE1 4.35Å; L129-F154 HydrophobicContact CD1-CE2 4.15Å; L129-F154 HydrophobicContact CD1-CG 3.46Å; L129-F154 VanDerWaalsContact CD1-CG 3.46Å; L129-F154 HydrophobicContact CD1-CZ 4.48Å; L129-V156 HydrophobicContact CD1-CG1 4.29Å; L129-L170 HydrophobicContact CD2-CD1 3.6Å; L129-L170 HydrophobicContact CD2-CD2 4.12Å
130Q91.6Very high91.2Very high88 Ų8848.3 Ų48.341%0.41123%0.232SC..Hα-helixtrans-62.1-20.8-178.8-80.2173.2-34.100114K126 T127 W128 R132 S133 V135 K159K126-Q130 WeakPolarHBondContact O-CB 3.38Å; K126-Q130 VanDerWaalsContact O-CG 3.25Å; K126-Q130 WeakPolarHBondContact O-CG 3.15Å; K126-Q130 PolarHBondContact O-N 3.17Å; T127-Q130 PolarHBondContact O-N 2.85Å; W128-Q130 VanDerWaalsContact C-N 3.31Å; W128-Q130 PolarHBondContact O-N 2.87Å; Q130-R132 VanDerWaalsContact C-N 3.31Å; Q130-R132 PolarHBondContact O-N 3.39Å; Q130-S133 CarbonylContact C-O 3.55Å; Q130-S133 VanDerWaalsContact CA-O 3.25Å; Q130-S133 WeakPolarHBondContact CA-O 3.48Å; Q130-V135 HydrophobicContact CG-CG2 4.03Å; Q130-K159 PolarHBondContact O-NZ 3.42Å
131Q87.4Confident91.3Very high50 Ų5050.1 Ų50.123%0.23424%0.241CC..THydrogen-bonded Turntrans-58.2-44.6173.5-64-176.4-5.700111.6W128 L129 K159 L231 G233W128-Q131 WeakPolarHBondContact O-CB 3.46Å; W128-Q131 WeakPolarHBondContact O-CG 3.43Å; W128-Q131 PolarHBondContact O-N 3.37Å; L129-Q131 PolarHBondContact O-N 2.87Å; L129-Q131 VanDerWaalsContact O-N 3.16Å; Q131-K159 PolarHBondContact O-NZ 3.1Å; Q131-L231 PolarHBondContact NE2-O 2.97Å; Q131-G233 VanDerWaalsContact NE2-N 3.13Å
132R88.1Confident91.4Very high70 Ų7052.4 Ų52.426%0.26425%0.25SC..THydrogen-bonded Turntrans-119.4-1.1-170.1-60.6176-174.1794113.7L129 Q130 K159 Q168 L170L129-R132 PolarHBondContact O-N 2.74Å; L129-R132 VanDerWaalsContact O-N 3.14Å; Q130-R132 VanDerWaalsContact C-N 3.31Å; Q130-R132 PolarHBondContact O-N 3.39Å; R132-K159 WeakPolarHBondContact O-CB 3.49Å; R132-K159 WeakPolarHBondContact O-CG 3.24Å; R132-K159 PolarHBondContact O-N 3.47Å; R132-Q168 HydrophobicContact CB-CG 4.48Å; R132-Q168 HydrophobicContact CG-CG 4.45Å; R132-L170 HydrophobicContact CB-CD2 3.73Å
133S89.9Confident91.4Very high2 Ų254 Ų541%0.01426%0.259CS..EExtended strand (participates in β ladder)trans-148.5166.8-178.469.50000111.4L129 Q130 Q157L129-S133 PolarHBondContact O-N 3.25Å; L129-S133 PolarHBondContact O-OG 3.44Å; Q130-S133 CarbonylContact C-O 3.55Å; Q130-S133 VanDerWaalsContact CA-O 3.25Å; Q130-S133 WeakPolarHBondContact CA-O 3.48Å; S133-Q157 CarbonylContact C-O 3.52Å; S133-Q157 VanDerWaalsContact CA-O 3.24Å; S133-Q157 WeakPolarHBondContact CA-O 3.47Å; S133-Q157 WeakPolarHBondContact CB-O 3.3Å
134T90.3Very high91.4Very high78 Ų7859.1 Ų59.148%0.47928%0.283SS..EExtended strand (participates in β ladder)trans-102.9113.8167.2-580000107.7V156 Q157T134-V156 CarbonylContact O-C 3.52Å; T134-V156 VanDerWaalsContact O-CA 3.24Å; T134-V156 WeakPolarHBondContact O-CA 3.25Å; T134-V156 WeakPolarHBondContact O-CB 3.41Å; T134-Q157 PolarHBondContact N-O 2.85Å; T134-Q157 PolarHBondContact O-N 3.14Å
135V91.4Very high91.4Very high17 Ų1765.7 Ų65.710%0.10332%0.318CS..EExtended strand (participates in β ladder)trans-81120.6179.8-178.40000109.5K126 L129 Q130 F154 V156K126-V135 HydrophobicContact CG-CB 4.2Å; K126-V135 HydrophobicContact CG-CG1 4.12Å; K126-V135 HydrophobicContact CG-CG2 4.22Å; L129-V135 HydrophobicContact CB-CG2 3.55Å; L129-V135 HydrophobicContact CD1-CG2 4.2Å; Q130-V135 HydrophobicContact CG-CG2 4.03Å; V135-F154 HydrophobicContact CG1-CD1 3.86Å; V135-V156 HydrophobicContact CB-CG1 4.36Å; V135-V156 HydrophobicContact CG1-CG1 4.4Å; V135-V156 HydrophobicContact CG2-CG1 3.94Å
136I89.8Confident91.1Very high100 Ų10067.1 Ų67.151%0.51333%0.333SS..EExtended strand (participates in β ladder)trans-83.5-58.7178.3-54.2170.2000108.9P108 F155P108-I136 HydrophobicContact CB-CD1 3.82Å; P108-I136 HydrophobicContact CG-CD1 3.92Å; I136-F155 HydrophobicContact CB-CB 4.46Å; I136-F155 WeakPolarHBondContact CB-O 3.46Å; I136-F155 PolarHBondContact N-O 2.99Å
137H91.4Very high90.9Very high93 Ų9367.6 Ų67.643%0.43134%0.339SS..EExtended strand (participates in β ladder)trans-155.6169.8174.471.890.1000111F154 F155H137-F154 WeakPolarHBondContact O-CA 3.45Å; H137-F155 AromaticContact CE1-CD2 2.96Å; H137-F155 WeakPolarHBondContact CE1-CD2 3.34Å; H137-F155 AromaticContact CE1-CE2 3.23Å; H137-F155 WeakPolarHBondContact CE1-CE2 3.26Å; H137-F155 AromaticContact CE1-CG 3.61Å; H137-F155 PolarHBondContact N-O 2.92Å; H137-F155 AromaticContact ND1-CD2 3.52Å; H137-F155 AromaticContact NE2-CD1 4Å; H137-F155 AromaticContact NE2-CD2 3.29Å; H137-F155 VanDerWaalsContact NE2-CD2 3.29Å; H137-F155 WeakPolarHBondContact NE2-CD2 3.27Å; H137-F155 AromaticContact NE2-CE2 3.8Å; H137-F155 AromaticContact NE2-CG 3.39Å; H137-F155 WeakPolarHBondContact NE2-CG 3.49Å; H137-F155 PolarHBondContact O-N 2.68Å
138G92.3Very high90.6Very high30 Ų3072.9 Ų72.931%0.30936%0.356SS..EExtended strand (participates in β ladder)trans-159.6162.5173.100000112.4R153G138-R153 CarbonylContact C-O 3.48Å; G138-R153 WeakPolarHBondContact CA-O 3.21Å
139Y92.1Very high90.3Very high90 Ų9075.8 Ų75.835%0.35338%0.375SS..EExtended strand (participates in β ladder)trans-146.9157.917861.2-96.6000111.9M141 R152 R153 F155Y139-M141 HydrophobicContact CE2-CG 4.49Å; Y139-R152 WeakPolarHBondContact O-CA 3.3Å; Y139-R153 HydrophobicContact CD2-CB 4.46Å; Y139-R153 HydrophobicContact CE1-CB 4.25Å; Y139-R153 HydrophobicContact CE1-CG 4.41Å; Y139-R153 HydrophobicContact CE2-CB 4.06Å; Y139-R153 PolarHBondContact N-O 2.89Å; Y139-R153 PolarHBondContact O-N 3.44Å; Y139-R153 WeakPolarHBondContact OH-CD 3.21Å; Y139-F155 AromaticContact CE1-CE2 3.85Å; Y139-F155 HydrophobicContact CE1-CE2 3.85Å
140E92.6Very high90Very high46 Ų4677.1 Ų77.122%0.21539%0.388CS..EExtended strand (participates in β ladder)trans-81.1134.1173.6-62.6-172.8117.700110.4M122 R148 R152M122-E140 HydrophobicContact CE-CG 4.3Å; M122-E140 HydrophobicContact CG-CG 3.65Å; M122-E140 HydrophobicContact SD-CG 3.69Å; E140-R148 IonicContact OE1-CZ 2.78Å; E140-R148 IonicContact OE1-NE 3.9Å; E140-R148 IonicContact OE2-CZ 2.81Å; E140-R148 IonicContact OE2-NE 3.99Å; E140-R148 PolarHBondContact OE2-NE 3.34Å; E140-R148 IonicContact OE2-NH2 3.2Å; E140-R148 PolarHBondContact OE2-NH2 3.14Å; E140-R152 HydrophobicContact CG-CG 4.27Å; E140-R152 IonicContact OE1-NE 3.87Å; E140-R152 IonicContact OE1-NH2 3.86Å
141M91.2Very high90.1Very high38 Ų3873 Ų7319%0.18737%0.369CS..EExtended strand (participates in β ladder)trans-79.1140.9175.1-57.6-164.3-60.600109.8T112 L114 Y139 T149 G151 R153T112-M141 HydrophobicContact CG2-CE 3.53Å; T112-M141 HydrophobicContact CG2-SD 4.23Å; L114-M141 HydrophobicContact CD2-CE 4.08Å; Y139-M141 HydrophobicContact CE2-CG 4.49Å; M141-T149 PolarHBondContact O-N 3.14Å; M141-T149 PolarHBondContact O-OG1 3.16Å; M141-G151 VanDerWaalsContact CB-O 3.31Å; M141-G151 WeakPolarHBondContact CB-O 3.25Å; M141-G151 VanDerWaalsContact CE-CA 3.46Å; M141-G151 PolarHBondContact N-O 3.29Å; M141-R153 HydrophobicContact CG-CB 4.32Å; M141-R153 HydrophobicContact SD-CB 4.4Å
142R91.8Very high90.4Very high145 Ų14571.1 Ų71.155%0.54736%0.36SS..EExtended strand (participates in β ladder)trans-126.1151175.4-65.2174.2-177.9-97.74109G146 I147R142-G146 WeakPolarHBondContact CD-O 3.41Å; R142-G146 PolarHBondContact NH1-O 2.8Å; R142-I147 CarbonylContact C-O 3.53Å; R142-I147 WeakPolarHBondContact CA-O 3.38Å
143D90.4Very high90.7Very high68 Ų6871.9 Ų71.936%0.36436%0.363SS..  trans-78.2-175.2169.760.220000111.3D145 G146 I147 T149D143-D145 PolarHBondContact O-N 2.84Å; D143-D145 PolarHBondContact OD1-N 3.35Å; D143-G146 PolarHBondContact O-N 3.43Å; D143-G146 PolarHBondContact OD1-N 2.92Å; D143-G146 VanDerWaalsContact OD1-N 3.11Å; D143-I147 PolarHBondContact N-O 3.34Å; D143-I147 WeakPolarHBondContact OD1-CA 3.23Å; D143-I147 WeakPolarHBondContact OD1-CB 3.25Å; D143-I147 PolarHBondContact OD1-N 2.84Å; D143-I147 WeakPolarHBondContact OD2-CB 3.46Å; D143-T149 HydrophobicContact CB-CG2 3.97Å
144E92.1Very high91Very high201 Ų20172 Ų7294%0.93936%0.363SS*.THydrogen-bonded Turntrans-60.4-29.8-178.4-63.1-178.3170.800112.4G146E144-G146 VanDerWaalsContact C-N 3.3Å
145D91.3Very high91Very high139 Ų13970 Ų7074%0.74335%0.348SS*.THydrogen-bonded Turntrans-87.10.8178.3-62.2-46.7000112.8D143 I147D143-D145 PolarHBondContact O-N 2.84Å; D143-D145 PolarHBondContact OD1-N 3.35Å; D145-I147 VanDerWaalsContact C-N 3.33Å; D145-I147 HydrophobicContact CB-CD1 4.24Å; D145-I147 HydrophobicContact CB-CG1 4.25Å
146G86.4Confident91.1Very high29 Ų2969.2 Ų69.230%0.29934%0.343SS..SBendtrans80.89.6179.900000114.3R142 D143 E144R142-G146 WeakPolarHBondContact CD-O 3.41Å; R142-G146 PolarHBondContact NH1-O 2.8Å; D143-G146 PolarHBondContact O-N 3.43Å; D143-G146 PolarHBondContact OD1-N 2.92Å; D143-G146 VanDerWaalsContact OD1-N 3.11Å; E144-G146 VanDerWaalsContact C-N 3.3Å
147I88.9Confident91Very high103 Ų10366.5 Ų66.553%0.52833%0.328SS..  trans-80.1140179.1-54.8172000109.4R142 D143 D145 T149R142-I147 CarbonylContact C-O 3.53Å; R142-I147 WeakPolarHBondContact CA-O 3.38Å; D143-I147 PolarHBondContact N-O 3.34Å; D143-I147 WeakPolarHBondContact OD1-CA 3.23Å; D143-I147 WeakPolarHBondContact OD1-CB 3.25Å; D143-I147 PolarHBondContact OD1-N 2.84Å; D143-I147 WeakPolarHBondContact OD2-CB 3.46Å; D145-I147 VanDerWaalsContact C-N 3.33Å; D145-I147 HydrophobicContact CB-CD1 4.24Å; D145-I147 HydrophobicContact CB-CG1 4.25Å; I147-T149 PolarHBondContact O-N 2.83Å
148R86.8Confident90.9Very high134 Ų13462.3 Ų62.351%0.50631%0.309SS..EExtended strand (participates in β ladder)trans-70.3125.2179.4-68.7177.5164.4157-8.2110.4E140 G150E140-R148 IonicContact OE1-CZ 2.78Å; E140-R148 IonicContact OE1-NE 3.9Å; E140-R148 IonicContact OE2-CZ 2.81Å; E140-R148 IonicContact OE2-NE 3.99Å; E140-R148 PolarHBondContact OE2-NE 3.34Å; E140-R148 IonicContact OE2-NH2 3.2Å; E140-R148 PolarHBondContact OE2-NH2 3.14Å; R148-G150 VanDerWaalsContact C-N 3.33Å; R148-G150 PolarHBondContact O-N 3.48Å
149T87.3Confident90.6Very high71 Ų7164.8 Ų64.844%0.43631%0.311SS..EExtended strand (participates in β ladder)trans-89.44.1-177.460.10000114M141 D143 I147 G151M141-T149 PolarHBondContact O-N 3.14Å; M141-T149 PolarHBondContact O-OG1 3.16Å; D143-T149 HydrophobicContact CB-CG2 3.97Å; I147-T149 PolarHBondContact O-N 2.83Å; T149-G151 PolarHBondContact O-N 2.87Å; T149-G151 VanDerWaalsContact O-N 3.15Å; T149-G151 PolarHBondContact OG1-N 3.46Å
150G87.1Confident89.8Confident27 Ų2762.7 Ų62.728%0.27830%0.303SS..EExtended strand (participates in β ladder)trans72.3-5.3-169.200000113.8M115 R148M115-G150 PolarHBondContact N-O 3.15Å; R148-G150 VanDerWaalsContact C-N 3.33Å; R148-G150 PolarHBondContact O-N 3.48Å
151G93.4Very high88.9Confident1 Ų163.4 Ų63.41%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-85.5140.417500000112.6V113 M141 T149V113-G151 CarbonylContact O-C 3.48Å; V113-G151 WeakPolarHBondContact O-CA 3.42Å; M141-G151 VanDerWaalsContact CB-O 3.31Å; M141-G151 WeakPolarHBondContact CB-O 3.25Å; M141-G151 VanDerWaalsContact CE-CA 3.46Å; M141-G151 PolarHBondContact N-O 3.29Å; T149-G151 PolarHBondContact O-N 2.87Å; T149-G151 VanDerWaalsContact O-N 3.15Å; T149-G151 PolarHBondContact OG1-N 3.46Å
152R94.3Very high87.7Confident11 Ų1170.2 Ų70.24%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-134.2134.1-179.2-66.9162.7177.8150.70.8109T112 V113 V120 M122 I125 Y139 E140 F154T112-R152 WeakPolarHBondContact CA-O 3.45Å; V113-R152 PolarHBondContact N-O 2.82Å; V113-R152 PolarHBondContact O-N 3.02Å; V120-R152 PolarHBondContact O-NH1 3.29Å; V120-R152 PolarHBondContact O-NH2 3.49Å; M122-R152 HydrophobicContact CG-CG 4.46Å; M122-R152 HydrophobicContact SD-CB 4.02Å; M122-R152 HydrophobicContact SD-CG 3.76Å; I125-R152 HydrophobicContact CD1-CG 4.43Å; Y139-R152 WeakPolarHBondContact O-CA 3.3Å; E140-R152 HydrophobicContact CG-CG 4.27Å; E140-R152 IonicContact OE1-NE 3.87Å; E140-R152 IonicContact OE1-NH2 3.86Å; R152-F154 HydrophobicContact CB-CD2 4.41Å; R152-F154 HydrophobicContact CB-CE2 3.72Å; R152-F154 HydrophobicContact CB-CZ 4.5Å
153R94.6Very high86.3Confident86 Ų8672.8 Ų72.833%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-111.4129.6-178.8-171.3169.2-81.4170.10.6110.1T110 I111 G138 Y139 M141 F155T110-R153 VanDerWaalsContact CG2-CD 3.43Å; T110-R153 HydrophobicContact CG2-CG 3.51Å; I111-R153 CarbonylContact O-C 3.57Å; I111-R153 VanDerWaalsContact O-CA 3.31Å; I111-R153 WeakPolarHBondContact O-CA 3.36Å; G138-R153 CarbonylContact C-O 3.48Å; G138-R153 WeakPolarHBondContact CA-O 3.21Å; Y139-R153 HydrophobicContact CD2-CB 4.46Å; Y139-R153 HydrophobicContact CE1-CB 4.25Å; Y139-R153 HydrophobicContact CE1-CG 4.41Å; Y139-R153 HydrophobicContact CE2-CB 4.06Å; Y139-R153 PolarHBondContact N-O 2.89Å; Y139-R153 PolarHBondContact O-N 3.44Å; Y139-R153 WeakPolarHBondContact OH-CD 3.21Å; M141-R153 HydrophobicContact CG-CB 4.32Å; M141-R153 HydrophobicContact SD-CB 4.4Å; R153-F155 HydrophobicContact CG-CE2 4.36Å
154F95.4Very high85Confident4 Ų471.3 Ų71.32%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-124.5142.4179.7-68.9-88.5000110.5T110 I111 V113 M122 I125 K126 L129 V135 H137 R152 V156T110-F154 CarbonylContact C-O 3.53Å; T110-F154 WeakPolarHBondContact CA-O 3.31Å; I111-F154 PolarHBondContact N-O 3Å; I111-F154 PolarHBondContact O-N 2.85Å; V113-F154 HydrophobicContact CG2-CD2 4.2Å; V113-F154 HydrophobicContact CG2-CE2 4.49Å; M122-F154 HydrophobicContact CE-CZ 4.46Å; M122-F154 HydrophobicContact SD-CE1 4.41Å; M122-F154 HydrophobicContact SD-CE2 4.34Å; M122-F154 HydrophobicContact SD-CZ 3.75Å; I125-F154 HydrophobicContact CB-CE2 4.09Å; I125-F154 HydrophobicContact CB-CZ 4.06Å; I125-F154 HydrophobicContact CG2-CD2 4.14Å; I125-F154 HydrophobicContact CG2-CE2 3.44Å; I125-F154 VanDerWaalsContact CG2-CE2 3.44Å; I125-F154 HydrophobicContact CG2-CZ 3.82Å; K126-F154 HydrophobicContact CB-CE1 4.31Å; L129-F154 HydrophobicContact CD1-CB 3.76Å; L129-F154 HydrophobicContact CD1-CD1 3.86Å; L129-F154 HydrophobicContact CD1-CD2 3.62Å; L129-F154 HydrophobicContact CD1-CE1 4.35Å; L129-F154 HydrophobicContact CD1-CE2 4.15Å; L129-F154 HydrophobicContact CD1-CG 3.46Å; L129-F154 VanDerWaalsContact CD1-CG 3.46Å; L129-F154 HydrophobicContact CD1-CZ 4.48Å; V135-F154 HydrophobicContact CG1-CD1 3.86Å; H137-F154 WeakPolarHBondContact O-CA 3.45Å; R152-F154 HydrophobicContact CB-CD2 4.41Å; R152-F154 HydrophobicContact CB-CE2 3.72Å; R152-F154 HydrophobicContact CB-CZ 4.5Å; F154-V156 HydrophobicContact CB-CG1 3.91Å
155F91.4Very high83.6Confident37 Ų3762.5 Ų62.516%0.16231%0.31CS..EExtended strand (participates in β ladder)trans-104.2115.7170.4-67.6-104.3000106.6T110 I136 H137 Y139 R153T110-F155 HydrophobicContact CG2-CE1 4.35Å; T110-F155 HydrophobicContact CG2-CZ 4.22Å; T110-F155 WeakPolarHBondContact OG1-CE1 3.38Å; I136-F155 HydrophobicContact CB-CB 4.46Å; I136-F155 WeakPolarHBondContact CB-O 3.46Å; I136-F155 PolarHBondContact N-O 2.99Å; H137-F155 AromaticContact CE1-CD2 2.96Å; H137-F155 WeakPolarHBondContact CE1-CD2 3.34Å; H137-F155 AromaticContact CE1-CE2 3.23Å; H137-F155 WeakPolarHBondContact CE1-CE2 3.26Å; H137-F155 AromaticContact CE1-CG 3.61Å; H137-F155 PolarHBondContact N-O 2.92Å; H137-F155 AromaticContact ND1-CD2 3.52Å; H137-F155 AromaticContact NE2-CD1 4Å; H137-F155 AromaticContact NE2-CD2 3.29Å; H137-F155 VanDerWaalsContact NE2-CD2 3.29Å; H137-F155 WeakPolarHBondContact NE2-CD2 3.27Å; H137-F155 AromaticContact NE2-CE2 3.8Å; H137-F155 AromaticContact NE2-CG 3.39Å; H137-F155 WeakPolarHBondContact NE2-CG 3.49Å; H137-F155 PolarHBondContact O-N 2.68Å; Y139-F155 AromaticContact CE1-CE2 3.85Å; Y139-F155 HydrophobicContact CE1-CE2 3.85Å; R153-F155 HydrophobicContact CG-CE2 4.36Å
156V91.8Very high82.6Confident0 Ų060.7 Ų60.70%030%0.298CS..EExtended strand (participates in β ladder)trans-134.4155.3-175.1-40.10000111.3P108 K109 I111 L129 T134 V135 F154 L158P108-V156 CarbonylContact C-O 3.54Å; P108-V156 WeakPolarHBondContact CA-O 3.45Å; K109-V156 PolarHBondContact N-O 3.24Å; K109-V156 PolarHBondContact O-N 3.34Å; I111-V156 HydrophobicContact CD1-CB 4.06Å; I111-V156 HydrophobicContact CD1-CG1 3.77Å; I111-V156 HydrophobicContact CD1-CG2 3.1Å; I111-V156 HydrophobicContact CG1-CG2 4.11Å; L129-V156 HydrophobicContact CD1-CG1 4.29Å; T134-V156 CarbonylContact O-C 3.52Å; T134-V156 VanDerWaalsContact O-CA 3.24Å; T134-V156 WeakPolarHBondContact O-CA 3.25Å; T134-V156 WeakPolarHBondContact O-CB 3.41Å; V135-V156 HydrophobicContact CB-CG1 4.36Å; V135-V156 HydrophobicContact CG1-CG1 4.4Å; V135-V156 HydrophobicContact CG2-CG1 3.94Å; F154-V156 HydrophobicContact CB-CG1 3.91Å; V156-L158 HydrophobicContact CG2-CD2 4.01Å
157Q89Confident82.1Confident44 Ų4460.8 Ų60.821%0.20629%0.291CS..EExtended strand (participates in β ladder)trans-103.4114.4168.4-168.4164.349.900108.7Q105 T106 S133 T134Q105-Q157 VanDerWaalsContact OE1-NE2 3.12Å; T106-Q157 WeakPolarHBondContact O-CG 3.36Å; T106-Q157 PolarHBondContact O-NE2 3.22Å; T106-Q157 WeakPolarHBondContact OG1-CG 3.48Å; S133-Q157 CarbonylContact C-O 3.52Å; S133-Q157 VanDerWaalsContact CA-O 3.24Å; S133-Q157 WeakPolarHBondContact CA-O 3.47Å; S133-Q157 WeakPolarHBondContact CB-O 3.3Å; T134-Q157 PolarHBondContact N-O 2.85Å; T134-Q157 PolarHBondContact O-N 3.14Å
158L88.5Confident81.8Confident4 Ų459.9 Ų59.92%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-68.9136.4-179-66.5-179.4000110.3T106 K109 V156 I167 L170 Y185T106-L158 WeakPolarHBondContact CG2-O 3.31Å; T106-L158 PolarHBondContact OG1-N 2.96Å; T106-L158 PolarHBondContact OG1-O 3.32Å; K109-L158 HydrophobicContact CD-CD1 3.69Å; K109-L158 HydrophobicContact CD-CG 4.24Å; V156-L158 HydrophobicContact CG2-CD2 4.01Å; L158-I167 HydrophobicContact CB-CG2 3.7Å; L158-I167 HydrophobicContact CD1-CG2 3.52Å; L158-I167 HydrophobicContact CG-CG2 4.27Å; L158-L170 HydrophobicContact CD2-CD1 3.78Å; L158-L170 HydrophobicContact CD2-CG 3.76Å; L158-Y185 HydrophobicContact CD1-CE2 3.91Å
159K85.6Confident81.8Confident82 Ų8256.9 Ų56.936%0.35728%0.276SS..PPolyproline II helixtrans-67.8152173.9-66.3178.3-171.2172.60109.5Q130 Q131 R132 Q168Q130-K159 PolarHBondContact O-NZ 3.42Å; Q131-K159 PolarHBondContact O-NZ 3.1Å; R132-K159 WeakPolarHBondContact O-CB 3.49Å; R132-K159 WeakPolarHBondContact O-CG 3.24Å; R132-K159 PolarHBondContact O-N 3.47Å; K159-Q168 WeakPolarHBondContact O-CB 3.48Å; K159-Q168 PolarHBondContact O-N 3.38Å
160R77.1Confident81.9Confident47 Ų4753.7 Ų53.718%0.17726%0.256CS..BIsolated β-bridgetrans-103.1145168.7-69.9-177.2178.4-83.7-3.9109.1E79 T106 L162 G165 E166 I167E79-R160 IonicContact OE1-CZ 3.17Å; E79-R160 IonicContact OE1-NH1 2.79Å; E79-R160 IonicContact OE1-NH2 3.2Å; E79-R160 PolarHBondContact OE1-NH2 3.12Å; E79-R160 IonicContact OE2-NH1 3.31Å; T106-R160 HydrophobicContact CG2-CG 3.93Å; R160-L162 PolarHBondContact O-N 3.18Å; R160-G165 PolarHBondContact NH1-O 3.31Å; R160-E166 CarbonylContact C-O 3.53Å; R160-E166 VanDerWaalsContact CA-O 3.25Å; R160-E166 WeakPolarHBondContact CA-O 3.09Å; R160-I167 HydrophobicContact CG-CG1 4.5Å
161D73.4Confident81.9Confident61 Ų6154.2 Ų54.233%0.32626%0.255SS..PPolyproline II helixtrans-65.4126.7167.3-173.1-34.5000108.2R163 T164 G165 E166D161-R163 PolarHBondContact O-N 3.25Å; D161-R163 WeakPolarHBondContact OD1-CB 3.43Å; D161-R163 PolarHBondContact OD1-N 3.36Å; D161-T164 WeakPolarHBondContact CB-OG1 3.3Å; D161-G165 VanDerWaalsContact O-CA 3.22Å; D161-G165 WeakPolarHBondContact O-CA 3.48Å; D161-G165 PolarHBondContact O-N 3.05Å; D161-E166 PolarHBondContact N-O 2.83Å
162L64.3Low81.7Confident181 Ų18154.9 Ų54.995%0.94826%0.259SS*.THydrogen-bonded Turntrans-67.6-24.1-177.4-65.4174.1000112.7R160R160-L162 PolarHBondContact O-N 3.18Å
163R62.8Low81.4Confident198 Ų19856.2 Ų56.275%0.74727%0.268SS*.THydrogen-bonded Turntrans-89.1-42.2-176.8-177.7179.358.5177.9-2.1112.1D161D161-R163 PolarHBondContact O-N 3.25Å; D161-R163 WeakPolarHBondContact OD1-CB 3.43Å; D161-R163 PolarHBondContact OD1-N 3.36Å
164T63.2Low81.2Confident38 Ų3852.1 Ų52.123%0.23325%0.253CS..THydrogen-bonded Turntrans-101.9-15-175.264.90000113D161 E166D161-T164 WeakPolarHBondContact CB-OG1 3.3Å; T164-E166 PolarHBondContact O-N 3.19Å; T164-E166 VanDerWaalsContact O-N 3.14Å; T164-E166 WeakPolarHBondContact OG1-CB 3.48Å; T164-E166 PolarHBondContact OG1-N 3.38Å
165G62.3Low81Confident15 Ų1554.2 Ų54.216%0.15526%0.263CS..  trans70.3-1.4-172.700000114R160 D161R160-G165 PolarHBondContact NH1-O 3.31Å; D161-G165 VanDerWaalsContact O-CA 3.22Å; D161-G165 WeakPolarHBondContact O-CA 3.48Å; D161-G165 PolarHBondContact O-N 3.05Å
166E70.7Confident80.9Confident102 Ų10252.5 Ų52.548%0.47726%0.255SS..  trans-70.7150.2-179.8-66.3-164.9137.300111.5R160 D161 T164 Q168R160-E166 CarbonylContact C-O 3.53Å; R160-E166 VanDerWaalsContact CA-O 3.25Å; R160-E166 WeakPolarHBondContact CA-O 3.09Å; D161-E166 PolarHBondContact N-O 2.83Å; T164-E166 PolarHBondContact O-N 3.19Å; T164-E166 VanDerWaalsContact O-N 3.14Å; T164-E166 WeakPolarHBondContact OG1-CB 3.48Å; T164-E166 PolarHBondContact OG1-N 3.38Å; E166-Q168 PolarHBondContact O-N 2.91Å
167I76.9Confident80.6Confident30 Ų3053.7 Ų53.715%0.15427%0.268CS..BIsolated β-bridgetrans-69.6124.4175.6-61.7178000108.5T106 L158 R160 H169T106-I167 HydrophobicContact CG2-CD1 4.25Å; T106-I167 HydrophobicContact CG2-CG1 4.12Å; L158-I167 HydrophobicContact CB-CG2 3.7Å; L158-I167 HydrophobicContact CD1-CG2 3.52Å; L158-I167 HydrophobicContact CG-CG2 4.27Å; R160-I167 HydrophobicContact CG-CG1 4.5Å; I167-H169 VanDerWaalsContact C-N 3.35Å; I167-H169 PolarHBondContact O-CD2 3.22Å; I167-H169 VanDerWaalsContact O-CD2 3.22Å; I167-H169 PolarHBondContact O-N 3.49Å
168Q82.8Confident80.4Confident85 Ų8556.3 Ų56.340%0.39730%0.297SS..  trans-75.192.9171.7-168.3176.253.200108.9R132 K159 E166R132-Q168 HydrophobicContact CB-CG 4.48Å; R132-Q168 HydrophobicContact CG-CG 4.45Å; K159-Q168 WeakPolarHBondContact O-CB 3.48Å; K159-Q168 PolarHBondContact O-N 3.38Å; E166-Q168 PolarHBondContact O-N 2.91Å
169H86.3Confident80.5Confident71 Ų7157.6 Ų57.633%0.32930%0.303SS..PPolyproline II helixtrans-65.4142.1-179.9-76.3-77.2000112I167 Y185 G187 P189I167-H169 VanDerWaalsContact C-N 3.35Å; I167-H169 PolarHBondContact O-CD2 3.22Å; I167-H169 VanDerWaalsContact O-CD2 3.22Å; I167-H169 PolarHBondContact O-N 3.49Å; H169-Y185 WeakPolarHBondContact CA-OH 3.23Å; H169-Y185 VanDerWaalsContact CB-OH 3.24Å; H169-Y185 WeakPolarHBondContact CB-OH 3.44Å; H169-Y185 AromaticContact ND1-CE2 3.76Å; H169-Y185 AromaticContact ND1-CZ 3.74Å; H169-Y185 PolarHBondContact ND1-OH 2.93Å; H169-G187 PolarHBondContact CE1-O 2.94Å; H169-G187 VanDerWaalsContact CE1-O 3.29Å; H169-P189 HydrophobicContact CB-CG 3.98Å; H169-P189 VanDerWaalsContact CG-CD 3.47Å; H169-P189 VanDerWaalsContact ND1-CD 3.3Å; H169-P189 WeakPolarHBondContact ND1-CD 3.46Å
170L89.3Confident80.7Confident3 Ų360.4 Ų60.42%0.01631%0.312CS..PPolyproline II helixtrans-73140.4171.2-64.6164.9000110.5I111 W128 L129 R132 L158 V183 Y185 Q188I111-L170 HydrophobicContact CD1-CD1 3.13Å; I111-L170 HydrophobicContact CG1-CD1 4.2Å; W128-L170 HydrophobicContact CZ3-CD2 4.19Å; L129-L170 HydrophobicContact CD2-CD1 3.6Å; L129-L170 HydrophobicContact CD2-CD2 4.12Å; R132-L170 HydrophobicContact CB-CD2 3.73Å; L158-L170 HydrophobicContact CD2-CD1 3.78Å; L158-L170 HydrophobicContact CD2-CG 3.76Å; L170-V183 HydrophobicContact CB-CG1 4.41Å; L170-V183 HydrophobicContact CD1-CG1 4.46Å; L170-Y185 HydrophobicContact CB-CE1 3.89Å; L170-Y185 HydrophobicContact CD1-CE1 4.4Å; L170-Y185 PolarHBondContact N-OH 3.23Å; L170-Y185 VanDerWaalsContact N-OH 3.14Å; L170-Q188 PolarHBondContact O-NE2 3.4Å
171P88Confident81.4Confident39 Ų3958.1 Ų58.125%0.25330%0.303SS..PPolyproline II helixtrans-64.8145.5175.730.1-36.2000110W128 V173W128-P171 HydrophobicContact CH2-CG 3.63Å; W128-P171 HydrophobicContact CZ2-CG 3.42Å; W128-P171 VanDerWaalsContact CZ2-CG 3.42Å; P171-V173 PolarHBondContact O-N 3.41Å
172P88.2Confident82.3Confident15 Ų1558.7 Ų58.710%0.09730%0.303CS..SBendtrans-70.8-12-17828.2-34.5000113.8H182 V183 Q188 I191 H193P172-H182 WeakPolarHBondContact O-CA 3.09Å; P172-V183 PolarHBondContact O-N 3.5Å; P172-Q188 VanDerWaalsContact CA-NE2 3.34Å; P172-I191 HydrophobicContact CG-CG1 4.49Å; P172-H193 WeakPolarHBondContact CG-CD2 3.39Å
173V88.3Confident83.7Confident39 Ų3950 Ų5024%0.23626%0.258CS..EExtended strand (participates in β ladder)trans-124.3127.1178.9-179.80000108.5P171 G181 H193P171-V173 PolarHBondContact O-N 3.41Å; V173-G181 WeakPolarHBondContact CA-O 3.5Å; V173-H193 HydrophobicContact CG2-CB 4.22Å
174I90.9Very high85.1Confident0 Ų045.3 Ų45.30%024%0.243CC..EExtended strand (participates in β ladder)trans-96.6129.4167178.2170.5000107.7V113 M115 I125 W128 L176 R180 G181 V183V113-I174 HydrophobicContact CG1-CG2 4.14Å; M115-I174 HydrophobicContact SD-CG2 3.45Å; M115-I174 WeakPolarHBondContact SD-CG2 3.46Å; I125-I174 HydrophobicContact CG1-CD1 4.28Å; W128-I174 HydrophobicContact CB-CD1 4.02Å; W128-I174 HydrophobicContact CD2-CB 4.37Å; W128-I174 HydrophobicContact CD2-CD1 3.48Å; W128-I174 VanDerWaalsContact CD2-CD1 3.48Å; W128-I174 HydrophobicContact CD2-CG1 3.79Å; W128-I174 HydrophobicContact CE3-CD1 3.76Å; W128-I174 HydrophobicContact CE3-CG1 4.31Å; W128-I174 HydrophobicContact CG-CD1 3.58Å; W128-I174 HydrophobicContact CG-CG1 4.02Å; W128-I174 HydrophobicContact CH2-CB 4.12Å; W128-I174 HydrophobicContact CZ2-CB 3.87Å; W128-I174 HydrophobicContact CZ2-CG1 4.05Å; W128-I174 HydrophobicContact CZ3-CB 4.46Å; W128-I174 HydrophobicContact CZ3-CD1 4.41Å; I174-L176 HydrophobicContact CD1-CD1 4.14Å; I174-L176 HydrophobicContact CD1-CD2 4.5Å; I174-L176 HydrophobicContact CD1-CG 4.24Å; I174-L176 HydrophobicContact CG1-CD1 4.49Å; I174-L176 HydrophobicContact CG1-CD2 4.34Å; I174-L176 HydrophobicContact CG1-CG 4.06Å; I174-R180 CarbonylContact O-C 3.46Å; I174-R180 WeakPolarHBondContact O-CA 3.45Å; I174-G181 VanDerWaalsContact CG2-C 3.48Å; I174-G181 WeakPolarHBondContact CG2-O 3.41Å; I174-G181 PolarHBondContact N-O 3.28Å; I174-G181 PolarHBondContact O-N 2.83Å; I174-V183 HydrophobicContact CB-CG2 3.99Å; I174-V183 HydrophobicContact CG2-CG2 3.91Å
175Q89.8Confident86.4Confident48 Ų4844.3 Ų44.322%0.22424%0.235CC..EExtended strand (participates in β ladder)trans-128114.5176-177.3176.2-48.400109.6G177 I179 R180 N230Q175-G177 WeakPolarHBondContact CG-O 3.46Å; Q175-G177 PolarHBondContact NE2-O 3.41Å; Q175-I179 CarbonylContact C-O 3.54Å; Q175-I179 WeakPolarHBondContact CA-O 3.42Å; Q175-R180 HydrophobicContact CB-CG 4.31Å; Q175-R180 HydrophobicContact CG-CG 3.99Å; Q175-N230 WeakPolarHBondContact O-CB 3.27Å
176L89.1Confident87.2Confident0 Ų048.1 Ų48.10%026%0.257CS..EExtended strand (participates in β ladder)trans-115.198.1177.8-59.3179.9000108.5V120 D124 I174 A178 I179 L231 F239V120-L176 HydrophobicContact CG1-CD1 3.64Å; V120-L176 HydrophobicContact CG2-CD1 4.11Å; D124-L176 HydrophobicContact CB-CD1 4.31Å; I174-L176 HydrophobicContact CD1-CD1 4.14Å; I174-L176 HydrophobicContact CD1-CD2 4.5Å; I174-L176 HydrophobicContact CD1-CG 4.24Å; I174-L176 HydrophobicContact CG1-CD1 4.49Å; I174-L176 HydrophobicContact CG1-CD2 4.34Å; I174-L176 HydrophobicContact CG1-CG 4.06Å; L176-A178 PolarHBondContact O-N 2.72Å; L176-I179 PolarHBondContact N-O 2.9Å; L176-I179 WeakPolarHBondContact O-CB 3.42Å; L176-I179 PolarHBondContact O-N 2.79Å; L176-L231 HydrophobicContact CD1-CD1 4.26Å; L176-L231 HydrophobicContact CD2-CB 4.11Å; L176-L231 HydrophobicContact CD2-CD1 3.9Å; L176-F239 VanDerWaalsContact C-CD1 3.48Å; L176-F239 HydrophobicContact CB-CD1 3.91Å; L176-F239 HydrophobicContact CB-CD2 4.18Å; L176-F239 HydrophobicContact CB-CE1 3.87Å; L176-F239 HydrophobicContact CB-CE2 4.13Å; L176-F239 HydrophobicContact CB-CG 4.06Å; L176-F239 HydrophobicContact CB-CZ 3.98Å; L176-F239 HydrophobicContact CD1-CE2 4.32Å; L176-F239 HydrophobicContact CD1-CZ 4.37Å
177G85.7Confident87.6Confident26 Ų2646 Ų4627%0.26826%0.263SS..THydrogen-bonded Turntrans62.1-120-170.300000111.7Q175Q175-G177 WeakPolarHBondContact CG-O 3.46Å; Q175-G177 PolarHBondContact NE2-O 3.41Å
178A85.6Confident87.9Confident99 Ų9946.4 Ų46.482%0.81827%0.265SS*.THydrogen-bonded Turntrans-85.3-14.517500000113.1L176L176-A178 PolarHBondContact O-N 2.72Å
179I90.3Very high87.9Confident30 Ų3044.1 Ų44.115%0.15426%0.257CS..EExtended strand (participates in β ladder)trans-83.9130.8-175-52.1173.9000108.8M115 Q119 V120 Q175 L176M115-I179 HydrophobicContact CE-CB 4.46Å; M115-I179 HydrophobicContact CE-CG2 3.45Å; M115-I179 VanDerWaalsContact CE-CG2 3.45Å; Q119-I179 HydrophobicContact CB-CD1 4.19Å; V120-I179 HydrophobicContact CG2-CB 4.31Å; V120-I179 HydrophobicContact CG2-CD1 3.65Å; V120-I179 HydrophobicContact CG2-CG2 3.95Å; Q175-I179 CarbonylContact C-O 3.54Å; Q175-I179 WeakPolarHBondContact CA-O 3.42Å; L176-I179 PolarHBondContact N-O 2.9Å; L176-I179 WeakPolarHBondContact O-CB 3.42Å; L176-I179 PolarHBondContact O-N 2.79Å
180R90.5Very high87.6Confident141 Ų14149.8 Ų49.853%0.53228%0.28SS..EExtended strand (participates in β ladder)trans-119.7147.5178.3-72.4-179.5170.41694.1111I174 Q175I174-R180 CarbonylContact O-C 3.46Å; I174-R180 WeakPolarHBondContact O-CA 3.45Å; Q175-R180 HydrophobicContact CB-CG 4.31Å; Q175-R180 HydrophobicContact CG-CG 3.99Å
181G92Very high87.3Confident0 Ų051.2 Ų51.20%029%0.288CS..EExtended strand (participates in β ladder)trans-150178.817200000111.6L114 V173 I174L114-G181 CarbonylContact O-C 3.56Å; L114-G181 WeakPolarHBondContact O-CA 3.45Å; V173-G181 WeakPolarHBondContact CA-O 3.5Å; I174-G181 VanDerWaalsContact CG2-C 3.48Å; I174-G181 WeakPolarHBondContact CG2-O 3.41Å; I174-G181 PolarHBondContact N-O 3.28Å; I174-G181 PolarHBondContact O-N 2.83Å
182H91.6Very high87Confident72 Ų7249.4 Ų49.433%0.33328%0.276SS..EExtended strand (participates in β ladder)trans-120146.8-175.3-61.7-83.1000111.6V113 L114 F116 P172 F184V113-H182 CarbonylContact C-O 3.51Å; V113-H182 VanDerWaalsContact CA-O 3.31Å; V113-H182 WeakPolarHBondContact CA-O 3.24Å; L114-H182 PolarHBondContact N-O 2.98Å; L114-H182 PolarHBondContact O-N 3.38Å; F116-H182 AromaticContact CE2-CD2 3.88Å; P172-H182 WeakPolarHBondContact O-CA 3.09Å; H182-F184 HydrophobicContact CB-CD2 4.25Å; H182-F184 HydrophobicContact CB-CE1 4.36Å; H182-F184 HydrophobicContact CB-CE2 3.3Å; H182-F184 HydrophobicContact CB-CZ 3.37Å
183V93.4Very high86.5Confident0 Ų052.8 Ų52.80%029%0.29CS..EExtended strand (participates in β ladder)trans-126.7125.1-177.9-177.30000108.7I111 T112 V113 W128 L170 P172 I174 Q188I111-V183 HydrophobicContact CG2-CG1 3.53Å; T112-V183 WeakPolarHBondContact O-CA 3.35Å; V113-V183 HydrophobicContact CG1-CG2 4.29Å; V113-V183 HydrophobicContact CG2-CG1 4.35Å; V113-V183 HydrophobicContact CG2-CG2 4.22Å; W128-V183 HydrophobicContact CH2-CG2 3.8Å; W128-V183 HydrophobicContact CZ3-CG2 3.85Å; L170-V183 HydrophobicContact CB-CG1 4.41Å; L170-V183 HydrophobicContact CD1-CG1 4.46Å; P172-V183 PolarHBondContact O-N 3.5Å; I174-V183 HydrophobicContact CB-CG2 3.99Å; I174-V183 HydrophobicContact CG2-CG2 3.91Å; V183-Q188 PolarHBondContact O-NE2 3.31Å; V183-Q188 PolarHBondContact O-OE1 2.92Å
184F91.6Very high86Confident98 Ų9856.1 Ų56.143%0.4330%0.299SS..EExtended strand (participates in β ladder)trans-130.8136.9-175.8-52.4-79.5000111.5I111 T112 L114 H182I111-F184 WeakPolarHBondContact CA-O 3.29Å; T112-F184 PolarHBondContact N-O 2.97Å; T112-F184 PolarHBondContact O-N 3.41Å; L114-F184 HydrophobicContact CD1-CE2 3.88Å; L114-F184 HydrophobicContact CG-CE2 4.17Å; H182-F184 HydrophobicContact CB-CD2 4.25Å; H182-F184 HydrophobicContact CB-CE1 4.36Å; H182-F184 HydrophobicContact CB-CE2 3.3Å; H182-F184 HydrophobicContact CB-CZ 3.37Å
185Y90.9Very high85.3Confident18 Ų1856.8 Ų56.87%0.07130%0.303CS..  trans-158.1157.817059.1-83.8000112.5K109 T110 I111 L158 H169 L170 G187 Q188K109-Y185 HydrophobicContact CD-CD2 3.9Å; K109-Y185 HydrophobicContact CD-CE2 4.26Å; T110-Y185 WeakPolarHBondContact O-CB 3.35Å; I111-Y185 HydrophobicContact CG1-CD1 4.2Å; I111-Y185 HydrophobicContact CG1-CG 4.17Å; L158-Y185 HydrophobicContact CD1-CE2 3.91Å; H169-Y185 WeakPolarHBondContact CA-OH 3.23Å; H169-Y185 VanDerWaalsContact CB-OH 3.24Å; H169-Y185 WeakPolarHBondContact CB-OH 3.44Å; H169-Y185 AromaticContact ND1-CE2 3.76Å; H169-Y185 AromaticContact ND1-CZ 3.74Å; H169-Y185 PolarHBondContact ND1-OH 2.93Å; L170-Y185 HydrophobicContact CB-CE1 3.89Å; L170-Y185 HydrophobicContact CD1-CE1 4.4Å; L170-Y185 PolarHBondContact N-OH 3.23Å; L170-Y185 VanDerWaalsContact N-OH 3.14Å; Y185-G187 PolarHBondContact O-N 3.16Å; Y185-Q188 HydrophobicContact CD1-CB 4.03Å; Y185-Q188 HydrophobicContact CD1-CG 4.18Å; Y185-Q188 HydrophobicContact CD2-CB 4.04Å; Y185-Q188 HydrophobicContact CE1-CB 3.72Å; Y185-Q188 VanDerWaalsContact CE1-CD 3.43Å; Y185-Q188 HydrophobicContact CE1-CG 3.53Å; Y185-Q188 HydrophobicContact CE2-CB 3.76Å; Y185-Q188 HydrophobicContact CE2-CG 4.32Å; Y185-Q188 HydrophobicContact CG-CB 4.17Å; Y185-Q188 VanDerWaalsContact O-CB 3.3Å; Y185-Q188 WeakPolarHBondContact O-CB 3.18Å; Y185-Q188 PolarHBondContact O-N 3.09Å; Y185-Q188 VanDerWaalsContact O-N 3.17Å
186P79.9Confident84.6Confident94 Ų9456.4 Ų56.461%0.6131%0.312SS*.THydrogen-bonded Turntrans-61.2127.1177.1-2434.7000113.1K109K109-P186 PolarHBondContact NZ-O 3.23Å
187G78.2Confident84.1Confident59 Ų5957.8 Ų57.861%0.60832%0.322SS*.THydrogen-bonded Turntrans81.614.8-177.800000114.3H169 Y185H169-G187 PolarHBondContact CE1-O 2.94Å; H169-G187 VanDerWaalsContact CE1-O 3.29Å; Y185-G187 PolarHBondContact O-N 3.16Å
188Q84.2Confident83.7Confident38 Ų3863.6 Ų63.618%0.17834%0.342CS..  trans-66.4130.3169.6-172.617227.700110.2L170 P172 V183 Y185L170-Q188 PolarHBondContact O-NE2 3.4Å; P172-Q188 VanDerWaalsContact CA-NE2 3.34Å; V183-Q188 PolarHBondContact O-NE2 3.31Å; V183-Q188 PolarHBondContact O-OE1 2.92Å; Y185-Q188 HydrophobicContact CD1-CB 4.03Å; Y185-Q188 HydrophobicContact CD1-CG 4.18Å; Y185-Q188 HydrophobicContact CD2-CB 4.04Å; Y185-Q188 HydrophobicContact CE1-CB 3.72Å; Y185-Q188 VanDerWaalsContact CE1-CD 3.43Å; Y185-Q188 HydrophobicContact CE1-CG 3.53Å; Y185-Q188 HydrophobicContact CE2-CB 3.76Å; Y185-Q188 HydrophobicContact CE2-CG 4.32Å; Y185-Q188 HydrophobicContact CG-CB 4.17Å; Y185-Q188 VanDerWaalsContact O-CB 3.3Å; Y185-Q188 WeakPolarHBondContact O-CB 3.18Å; Y185-Q188 PolarHBondContact O-N 3.09Å; Y185-Q188 VanDerWaalsContact O-N 3.17Å
189P82.3Confident83.4Confident36 Ų3667.1 Ų67.123%0.23434%0.341CS..  trans-68.9138.2-178.328.9-36.2000110.5H169 I191H169-P189 HydrophobicContact CB-CG 3.98Å; H169-P189 VanDerWaalsContact CG-CD 3.47Å; H169-P189 VanDerWaalsContact ND1-CD 3.3Å; H169-P189 WeakPolarHBondContact ND1-CD 3.46Å; P189-I191 HydrophobicContact CB-CG2 4.04Å; P189-I191 HydrophobicContact CG-CG2 4.33Å; P189-I191 PolarHBondContact O-N 3.13Å; P189-I191 VanDerWaalsContact O-N 3.12Å
190K80.8Confident83Confident190 Ų19067.4 Ų67.483%0.82634%0.342SS*.  trans-77.795.9172.5-66.8-175.3-179.4-178.70108.3
191I82.1Confident82.7Confident33 Ų3365.8 Ų65.817%0.16934%0.343CS..  trans-120.9154.9-179.260.8178.3000111P172 P189 H193 S197 Q198P172-I191 HydrophobicContact CG-CG1 4.49Å; P189-I191 HydrophobicContact CB-CG2 4.04Å; P189-I191 HydrophobicContact CG-CG2 4.33Å; P189-I191 PolarHBondContact O-N 3.13Å; P189-I191 VanDerWaalsContact O-N 3.12Å; I191-H193 PolarHBondContact O-CD2 3.39Å; I191-H193 PolarHBondContact O-N 3.22Å; I191-S197 CarbonylContact C-O 3.59Å; I191-S197 WeakPolarHBondContact CA-O 3.22Å; I191-Q198 HydrophobicContact CG2-CG 3.67Å
192C81.6Confident82Confident1 Ų169.5 Ų69.51%0.00736%0.363CS..  trans-57.4122.2167.8176.80000110.4R194 C195 G196 S197 H200 C205C192-R194 PolarHBondContact O-N 3.11Å; C192-R194 VanDerWaalsContact O-N 3.08Å; C192-R194 PolarHBondContact SG-N 3.07Å; C192-R194 VanDerWaalsContact SG-N 3.42Å; C192-C195 VanDerWaalsContact SG-SG 3.68Å; C192-G196 VanDerWaalsContact O-CA 3.32Å; C192-G196 WeakPolarHBondContact O-CA 3.41Å; C192-G196 PolarHBondContact O-N 3.28Å; C192-S197 PolarHBondContact N-O 3.04Å; C192-H200 WeakPolarHBondContact CB-O 3.47Å; C192-C205 WeakPolarHBondContact SG-CB 3.43Å; C192-C205 PolarHBondContact SG-SG 3.21Å
193H78.1Confident81.4Confident86 Ų8670.8 Ų70.840%0.39839%0.386SS..THydrogen-bonded Turntrans-68.8-8.5-178.9-56.9174.6000113.8P172 V173 I191 L202P172-H193 WeakPolarHBondContact CG-CD2 3.39Å; V173-H193 HydrophobicContact CG2-CB 4.22Å; I191-H193 PolarHBondContact O-CD2 3.39Å; I191-H193 PolarHBondContact O-N 3.22Å; H193-L202 HydrophobicContact CB-CD1 4.47Å; H193-L202 HydrophobicContact CB-CD2 4.46Å
194R77.4Confident80.9Confident110 Ų11076.9 Ų76.942%0.41541%0.414SS..THydrogen-bonded Turntrans-95.8-49.5177-173.8-172.7-56.5-161.71.8112.3C192 L202 C205 N207 H209C192-R194 PolarHBondContact O-N 3.11Å; C192-R194 VanDerWaalsContact O-N 3.08Å; C192-R194 PolarHBondContact SG-N 3.07Å; C192-R194 VanDerWaalsContact SG-N 3.42Å; R194-L202 HydrophobicContact CB-CD1 3.63Å; R194-C205 HydrophobicContact CB-CB 4.4Å; R194-C205 PolarHBondContact NH1-O 3.08Å; R194-N207 WeakPolarHBondContact CD-O 3.14Å; R194-H209 VanDerWaalsContact O-CG 3.32Å; R194-H209 PolarHBondContact O-ND1 3.23Å
195C76Confident80.4Confident13 Ų1372.5 Ų72.59%0.08840%0.396CS..THydrogen-bonded Turntrans-119.7-0.2-170.374.30000114.7C192 S197 H200 C205 N207 H209C192-C195 VanDerWaalsContact SG-SG 3.68Å; C195-S197 PolarHBondContact O-N 2.79Å; C195-S197 VanDerWaalsContact SG-CB 3.52Å; C195-H200 VanDerWaalsContact SG-CE1 3.6Å; C195-H200 PolarHBondContact SG-NE2 3.26Å; C195-C205 VanDerWaalsContact SG-SG 3.65Å; C195-N207 HydrophobicContact CB-CB 3.91Å; C195-H209 HydrophobicContact CB-CB 4.37Å
196G75.8Confident80.1Confident40 Ų4079.7 Ų79.741%0.41243%0.43SS..  trans73.23.9179.400000115.6C192C192-G196 VanDerWaalsContact O-CA 3.32Å; C192-G196 WeakPolarHBondContact O-CA 3.41Å; C192-G196 PolarHBondContact O-N 3.28Å
197S77.4Confident80.2Confident30 Ų3078.5 Ų78.521%0.2142%0.419CS..  trans-65.3140.1178-177.90000112.2I191 C192 C195 Q199I191-S197 CarbonylContact C-O 3.59Å; I191-S197 WeakPolarHBondContact CA-O 3.22Å; C192-S197 PolarHBondContact N-O 3.04Å; C195-S197 PolarHBondContact O-N 2.79Å; C195-S197 VanDerWaalsContact SG-CB 3.52Å; S197-Q199 VanDerWaalsContact C-N 3.34Å; S197-Q199 WeakPolarHBondContact OG-CB 3.32Å; S197-Q199 PolarHBondContact OG-N 3.28Å; S197-Q199 VanDerWaalsContact OG-N 3.09Å
198Q78.9Confident80.4Confident147 Ų14779.8 Ų79.869%0.68741%0.411SS*.SBendtrans-83.9-10.3170.3-69.2176.55.500113I191I191-Q198 HydrophobicContact CG2-CG 3.67Å
199Q79.4Confident80.5Confident173 Ų17379.4 Ų79.481%0.80841%0.409SS*.SBendtrans-83.3-20.6-171.7-61.1-62.7-35.700113.7S197S197-Q199 VanDerWaalsContact C-N 3.34Å; S197-Q199 WeakPolarHBondContact OG-CB 3.32Å; S197-Q199 PolarHBondContact OG-N 3.28Å; S197-Q199 VanDerWaalsContact OG-N 3.09Å
200H81.8Confident80.7Confident37 Ų3777.7 Ų77.717%0.17140%0.398CS..SBendtrans-148.9165.4-176.861.9-106.8000111.4C192 C195 E204 C205C192-H200 WeakPolarHBondContact CB-O 3.47Å; C195-H200 VanDerWaalsContact SG-CE1 3.6Å; C195-H200 PolarHBondContact SG-NE2 3.26Å; H200-E204 HydrophobicContact CB-CB 4.15Å; H200-C205 WeakPolarHBondContact NE2-CB 3.35Å; H200-C205 PolarHBondContact NE2-SG 2.86Å; H200-C205 VanDerWaalsContact NE2-SG 3.38Å
201L82.7Confident80.7Confident106 Ų10673.5 Ų73.556%0.55538%0.377SS*.  trans-99.8172.5174.2-66.5176.7000111.9A203 E204 C205L201-A203 PolarHBondContact O-N 2.86Å; L201-A203 VanDerWaalsContact O-N 3.11Å; L201-E204 PolarHBondContact O-N 2.75Å; L201-C205 PolarHBondContact O-N 3.07Å
202L78.3Confident80.8Confident79 Ų7972.6 Ų72.641%0.41437%0.372SS..G310 helixtrans-53.7-36.1-175-179.662.7000113.6H193 R194 E204 C205H193-L202 HydrophobicContact CB-CD1 4.47Å; H193-L202 HydrophobicContact CB-CD2 4.46Å; R194-L202 HydrophobicContact CB-CD1 3.63Å; L202-E204 VanDerWaalsContact C-N 3.27Å; L202-E204 PolarHBondContact O-N 3.35Å; L202-C205 WeakPolarHBondContact O-CB 3.4Å; L202-C205 PolarHBondContact O-N 2.84Å
203A79.2Confident80.9Confident99 Ų9974 Ų7482%0.81838%0.382SS*.G310 helixtrans-64.8-30.2-178.600000113.1L201L201-A203 PolarHBondContact O-N 2.86Å; L201-A203 VanDerWaalsContact O-N 3.11Å
204E81.5Confident81.1Confident127 Ų12775.3 Ų75.359%0.59339%0.392SS*.G310 helixtrans-101.44.7-175.9-65.8165.1-170.800111.9H200 L201 L202 H206H200-E204 HydrophobicContact CB-CB 4.15Å; L201-E204 PolarHBondContact O-N 2.75Å; L202-E204 VanDerWaalsContact C-N 3.27Å; L202-E204 PolarHBondContact O-N 3.35Å; E204-H206 PolarHBondContact O-N 3.25Å; E204-H206 PolarHBondContact O-ND1 3.42Å
205C82.7Confident81.4Confident7 Ų771.6 Ų71.65%0.04738%0.382CS..  trans-83.5102.8-173.8-174.90000112.4C192 R194 C195 H200 L201 L202C192-C205 WeakPolarHBondContact SG-CB 3.43Å; C192-C205 PolarHBondContact SG-SG 3.21Å; R194-C205 HydrophobicContact CB-CB 4.4Å; R194-C205 PolarHBondContact NH1-O 3.08Å; C195-C205 VanDerWaalsContact SG-SG 3.65Å; H200-C205 WeakPolarHBondContact NE2-CB 3.35Å; H200-C205 PolarHBondContact NE2-SG 2.86Å; H200-C205 VanDerWaalsContact NE2-SG 3.38Å; L201-C205 PolarHBondContact O-N 3.07Å; L202-C205 WeakPolarHBondContact O-CB 3.4Å; L202-C205 PolarHBondContact O-N 2.84Å
206H83.4Confident81.9Confident168 Ų16878 Ų7878%0.77841%0.409SS*.  trans-92.3-3.3173.3-61.285000113.3E204E204-H206 PolarHBondContact O-N 3.25Å; E204-H206 PolarHBondContact O-ND1 3.42Å
207N82.4Confident82.4Confident70 Ų7084.2 Ų84.237%0.37443%0.427SS..  trans-69.9138.2-177.3-67.2-18000112.4R194 C195R194-N207 WeakPolarHBondContact CD-O 3.14Å; C195-N207 HydrophobicContact CB-CB 3.91Å
208I82.8Confident82.9Confident86 Ų8684.3 Ų84.344%0.44142%0.424SS..  trans-76.7133.8164.7-61.8174.5000107.5K216 H218 L219I208-K216 WeakPolarHBondContact O-CA 3.5Å; I208-H218 WeakPolarHBondContact CG2-O 3.4Å; I208-L219 HydrophobicContact CG2-CD2 4.05Å; I208-L219 HydrophobicContact CG2-CG 4.1Å
209H85.2Confident83.3Confident30 Ų3081 Ų8114%0.13941%0.411CS..  trans-150.4125.5-179.9-174.9-83.1000110.6R194 C195 D214 S215 H218R194-H209 VanDerWaalsContact O-CG 3.32Å; R194-H209 PolarHBondContact O-ND1 3.23Å; C195-H209 HydrophobicContact CB-CB 4.37Å; H209-D214 IonicContact CE1-OD1 3.52Å; H209-S215 CarbonylContact C-O 3.58Å; H209-S215 WeakPolarHBondContact CA-O 3.39Å; H209-H218 CarbonylContact C-O 3.43Å
210C86.4Confident83.5Confident0 Ų075.9 Ų75.90%039%0.392CS..  trans-85.4123174.4-1770000109.7N212 D214 S215 H218C210-N212 VanDerWaalsContact C-N 3.27Å; C210-N212 PolarHBondContact O-N 3.21Å; C210-N212 PolarHBondContact SG-N 2.76Å; C210-N212 VanDerWaalsContact SG-N 3.43Å; C210-D214 WeakPolarHBondContact O-CA 3.41Å; C210-D214 PolarHBondContact O-N 3.05Å; C210-S215 PolarHBondContact N-O 2.86Å; C210-H218 WeakPolarHBondContact CB-O 3.33Å; C210-H218 PolarHBondContact N-O 2.87Å; C210-H218 VanDerWaalsContact N-O 3.14Å; C210-H218 PolarHBondContact SG-NE2 3.3Å; C210-H218 VanDerWaalsContact SG-NE2 3.36Å
211R81.4Confident83.7Confident101 Ų10182.1 Ų82.138%0.38142%0.418SS..THydrogen-bonded Turntrans-81.8-4.9176.8-62.1-177.5-179.2180-2.3113.9T220R211-T220 PolarHBondContact N-OG1 3.38Å
212N84.4Confident84Confident15 Ų1582 Ų828%0.0842%0.418CS..THydrogen-bonded Turntrans-89.5-44.5179.4-169.551.8000111.6C210 T220 C223 D225 P226 K228C210-N212 VanDerWaalsContact C-N 3.27Å; C210-N212 PolarHBondContact O-N 3.21Å; C210-N212 PolarHBondContact SG-N 2.76Å; C210-N212 VanDerWaalsContact SG-N 3.43Å; N212-T220 HydrophobicContact CB-CG2 4.12Å; N212-C223 HydrophobicContact CB-CB 4.31Å; N212-C223 PolarHBondContact ND2-SG 3.45Å; N212-C223 VanDerWaalsContact ND2-SG 3.42Å; N212-D225 PolarHBondContact ND2-O 3.11Å; N212-P226 PolarHBondContact ND2-O 3.45Å; N212-K228 WeakPolarHBondContact OD1-CB 3.45Å; N212-K228 PolarHBondContact OD1-N 2.79Å
213C84.4Confident84.4Confident31 Ų3179.5 Ų79.521%0.20941%0.407CS..THydrogen-bonded Turntrans-121.75.1-176.768.10000114.3S215 H218 D225C213-S215 PolarHBondContact O-N 3.36Å; C213-S215 VanDerWaalsContact O-N 3.08Å; C213-S215 VanDerWaalsContact SG-CB 3.51Å; C213-H218 VanDerWaalsContact SG-CE1 3.54Å; C213-H218 PolarHBondContact SG-NE2 2.86Å; C213-D225 HydrophobicContact CB-CB 4.46Å; C213-D225 WeakPolarHBondContact CB-OD2 3.41Å
214D82.2Confident84.9Confident113 Ų11380 Ų8060%0.60440%0.401SS*.  trans59.216.6-179-57.9-45.3000114.5H209 C210H209-D214 IonicContact CE1-OD1 3.52Å; C210-D214 WeakPolarHBondContact O-CA 3.41Å; C210-D214 PolarHBondContact O-N 3.05Å
215S83.9Confident85.2Confident31 Ų3177.5 Ų77.522%0.21739%0.392CS..  trans-72.5146.5174.5177.90000112.2H209 C210 C213 E217H209-S215 CarbonylContact C-O 3.58Å; H209-S215 WeakPolarHBondContact CA-O 3.39Å; C210-S215 PolarHBondContact N-O 2.86Å; C213-S215 PolarHBondContact O-N 3.36Å; C213-S215 VanDerWaalsContact O-N 3.08Å; C213-S215 VanDerWaalsContact SG-CB 3.51Å; S215-E217 PolarHBondContact OG-N 3.43Å
216K85.7Confident85.5Confident147 Ų14781 Ų8164%0.63942%0.415SS*.SBendtrans-93.8-0175.8-62.8177.8-176172.70113.6I208I208-K216 WeakPolarHBondContact O-CA 3.5Å
217E86.1Confident85.6Confident171 Ų17176.4 Ų76.480%0.79940%0.399SS*.SBendtrans-89.7-24.9-173.6-59.6-163.1144.300113.5S215S215-E217 PolarHBondContact OG-N 3.43Å
218H88.9Confident85.9Confident33 Ų3377.3 Ų77.315%0.15340%0.399CS..SBendtrans-143.3162.4-17560.3-95.1000112.9I208 H209 C210 C213 N222 C223I208-H218 WeakPolarHBondContact CG2-O 3.4Å; H209-H218 CarbonylContact C-O 3.43Å; C210-H218 WeakPolarHBondContact CB-O 3.33Å; C210-H218 PolarHBondContact N-O 2.87Å; C210-H218 VanDerWaalsContact N-O 3.14Å; C210-H218 PolarHBondContact SG-NE2 3.3Å; C210-H218 VanDerWaalsContact SG-NE2 3.36Å; C213-H218 VanDerWaalsContact SG-CE1 3.54Å; C213-H218 PolarHBondContact SG-NE2 2.86Å; H218-N222 HydrophobicContact CB-CB 4.39Å; H218-C223 VanDerWaalsContact CD2-CA 3.48Å; H218-C223 WeakPolarHBondContact CD2-CA 3.46Å; H218-C223 WeakPolarHBondContact NE2-CA 3.45Å; H218-C223 PolarHBondContact NE2-SG 3.14Å
219L86.1Confident86.3Confident77 Ų7773.3 Ų73.340%0.40338%0.379SS..  trans-82.9154.3171.4-66.6170.9000110.2I208 K221 N222 C223I208-L219 HydrophobicContact CG2-CD2 4.05Å; I208-L219 HydrophobicContact CG2-CG 4.1Å; L219-K221 HydrophobicContact CB-CG 3.95Å; L219-K221 PolarHBondContact O-N 3.28Å; L219-N222 PolarHBondContact O-N 2.99Å; L219-C223 PolarHBondContact O-N 3.4Å
220T84.8Confident86.5Confident66 Ų6674.9 Ų74.941%0.40539%0.388SS..G310 helixtrans-49.4-34.2179.1-47.20000114R211 N212 N222 C223R211-T220 PolarHBondContact N-OG1 3.38Å; N212-T220 HydrophobicContact CB-CG2 4.12Å; T220-N222 PolarHBondContact O-N 3.23Å; T220-C223 WeakPolarHBondContact O-CB 3.33Å; T220-C223 PolarHBondContact O-N 3.02Å
221K84.8Confident86.6Confident168 Ų16874.9 Ų74.973%0.7339%0.388SS*.G310 helixtrans-66.2-22.417858.3166.9-173.1177.90114.6L219L219-K221 HydrophobicContact CB-CG 3.95Å; L219-K221 PolarHBondContact O-N 3.28Å
222N88.4Confident87Confident103 Ų10371.3 Ų71.355%0.55138%0.379SS*.G310 helixtrans-111.219.5-178.5-61-8.2000110.8H218 L219 T220H218-N222 HydrophobicContact CB-CB 4.39Å; L219-N222 PolarHBondContact O-N 2.99Å; T220-N222 PolarHBondContact O-N 3.23Å
223C88.1Confident87Confident26 Ų2672.3 Ų72.318%0.17639%0.392CS..  trans-73.6126.3-178.4-168.60000110.1N212 H218 L219 T220 D225N212-C223 HydrophobicContact CB-CB 4.31Å; N212-C223 PolarHBondContact ND2-SG 3.45Å; N212-C223 VanDerWaalsContact ND2-SG 3.42Å; H218-C223 VanDerWaalsContact CD2-CA 3.48Å; H218-C223 WeakPolarHBondContact CD2-CA 3.46Å; H218-C223 WeakPolarHBondContact NE2-CA 3.45Å; H218-C223 PolarHBondContact NE2-SG 3.14Å; L219-C223 PolarHBondContact O-N 3.4Å; T220-C223 WeakPolarHBondContact O-CB 3.33Å; T220-C223 PolarHBondContact O-N 3.02Å; C223-D225 VanDerWaalsContact C-N 3.26Å
224P90Very high87.2Confident109 Ų10976.2 Ų76.271%0.70841%0.407SS*.  trans-75.7-19.3176.332.1-35.1000112.2
225D87.9Confident87.5Confident76 Ų7673.8 Ų73.841%0.40640%0.399SS..SBendtrans-75.3148.8-179.1-64.2-35.2000111.4N212 C213 C223N212-D225 PolarHBondContact ND2-O 3.11Å; C213-D225 HydrophobicContact CB-CB 4.46Å; C213-D225 WeakPolarHBondContact CB-OD2 3.41Å; C223-D225 VanDerWaalsContact C-N 3.26Å
226P87.3Confident87.6Confident80 Ų8075.4 Ų75.452%0.51942%0.42SS..PPolyproline II helixtrans-57.1146.7175.425.5-35.1000110.8N212 K228N212-P226 PolarHBondContact ND2-O 3.45Å; P226-K228 PolarHBondContact O-N 3.34Å
227V87.2Confident87.8Confident72 Ų7269.7 Ų69.744%0.43640%0.396SS..PPolyproline II helixtrans-60.2125.917966.10000110.2S235 G236 T238V227-S235 CarbonylContact O-C 3.46Å; V227-S235 WeakPolarHBondContact O-CA 2.96Å; V227-G236 PolarHBondContact O-N 2.95Å; V227-T238 HydrophobicContact CG2-CG2 4.26Å
228K88.9Confident87.9Confident88 Ų8864.6 Ų64.638%0.38338%0.377SS..BIsolated β-bridgetrans-93.7136.3171.5-66.4-173.3-173.6169.50110N212 P226 N230 E234N212-K228 WeakPolarHBondContact OD1-CB 3.45Å; N212-K228 PolarHBondContact OD1-N 2.79Å; P226-K228 PolarHBondContact O-N 3.34Å; K228-N230 PolarHBondContact O-N 3.24Å; K228-E234 WeakPolarHBondContact CA-O 3.49Å
229C90.3Very high87.8Confident3 Ų364.2 Ų64.22%0.0238%0.375CS..PPolyproline II helixtrans-70.2122.8176.5-179.40000110.2L231 C232 G233 E234 H237C229-L231 PolarHBondContact O-N 3.26Å; C229-L231 PolarHBondContact SG-N 2.99Å; C229-C232 VanDerWaalsContact CB-SG 3.57Å; C229-G233 VanDerWaalsContact O-CA 3.22Å; C229-G233 WeakPolarHBondContact O-CA 3.46Å; C229-G233 PolarHBondContact O-N 3.46Å; C229-E234 WeakPolarHBondContact CB-O 3.12Å; C229-E234 PolarHBondContact N-O 3.08Å; C229-H237 VanDerWaalsContact CB-NE2 3.33Å; C229-H237 WeakPolarHBondContact CB-NE2 3.45Å; C229-H237 PolarHBondContact N-O 3.34Å
230N88.4Confident87.8Confident62 Ų6268.5 Ų68.533%0.33239%0.39SS..THydrogen-bonded Turntrans-67.4-8.8179.1-61.7-47000113.9Q175 K228Q175-N230 WeakPolarHBondContact O-CB 3.27Å; K228-N230 PolarHBondContact O-N 3.24Å
231L90.2Very high87.9Confident0 Ų069.7 Ų69.70%040%0.397CS..THydrogen-bonded Turntrans-95.2-54.4178.5-18070.9000113.1D124 T127 W128 Q131 L176 C229 F239 C242 S245D124-L231 HydrophobicContact CB-CD1 3.89Å; D124-L231 WeakPolarHBondContact O-CD1 3.49Å; T127-L231 HydrophobicContact CG2-CD1 4.43Å; T127-L231 HydrophobicContact CG2-CG 4.09Å; W128-L231 HydrophobicContact CB-CD1 4.33Å; Q131-L231 PolarHBondContact NE2-O 2.97Å; L176-L231 HydrophobicContact CD1-CD1 4.26Å; L176-L231 HydrophobicContact CD2-CB 4.11Å; L176-L231 HydrophobicContact CD2-CD1 3.9Å; C229-L231 PolarHBondContact O-N 3.26Å; C229-L231 PolarHBondContact SG-N 2.99Å; L231-F239 HydrophobicContact CB-CD2 3.81Å; L231-F239 HydrophobicContact CB-CE2 4.39Å; L231-F239 HydrophobicContact CD1-CE2 4.38Å; L231-F239 HydrophobicContact CD2-CD2 3.99Å; L231-F239 HydrophobicContact CD2-CE2 3.94Å; L231-F239 HydrophobicContact CG-CD2 4.35Å; L231-F239 HydrophobicContact CG-CE2 4.47Å; L231-C242 HydrophobicContact CD2-CB 4.38Å; L231-S245 VanDerWaalsContact CD2-CA 3.44Å
232C88.4Confident88Confident27 Ų2761.7 Ų61.718%0.18236%0.362CS..THydrogen-bonded Turntrans-101.4-17.6-176.764.20000113.7C229 E234 H237 C242C229-C232 VanDerWaalsContact CB-SG 3.57Å; C232-E234 VanDerWaalsContact C-N 3.29Å; C232-H237 PolarHBondContact SG-NE2 3.43Å; C232-C242 VanDerWaalsContact SG-SG 3.63Å
233G85.9Confident87.9Confident35 Ų3560.4 Ų60.436%0.36136%0.36SS..  trans85.2-4.2-179.700000114.5Q131 C229Q131-G233 VanDerWaalsContact NE2-N 3.13Å; C229-G233 VanDerWaalsContact O-CA 3.22Å; C229-G233 WeakPolarHBondContact O-CA 3.46Å; C229-G233 PolarHBondContact O-N 3.46Å
234E88.4Confident87.8Confident114 Ų11460.4 Ų60.453%0.53336%0.36SS..  trans-76.3149.6178-64.4178.4173.700112.2K228 C229 C232 H237K228-E234 WeakPolarHBondContact CA-O 3.49Å; C229-E234 WeakPolarHBondContact CB-O 3.12Å; C229-E234 PolarHBondContact N-O 3.08Å; C232-E234 VanDerWaalsContact C-N 3.29Å; E234-H237 IonicContact OE2-CE1 3.71Å
235S87.9Confident87.6Confident62 Ų6255.4 Ų55.443%0.43433%0.328SS..BIsolated β-bridgetrans-82.6154.9177-57.10000112V227V227-S235 CarbonylContact O-C 3.46Å; V227-S235 WeakPolarHBondContact O-CA 2.96Å
236G86.9Confident87.3Confident64 Ų6456.3 Ų56.366%0.6633%0.326SS*.SBendtrans99.6-1.8169.100000115.3V227V227-G236 PolarHBondContact O-N 2.95Å
237H88.6Confident87Confident27 Ų2755.5 Ų55.513%0.12533%0.326CS..  trans-149163.3175.264.8-95.7000112.5C229 C232 E234 C242C229-H237 VanDerWaalsContact CB-NE2 3.33Å; C229-H237 WeakPolarHBondContact CB-NE2 3.45Å; C229-H237 PolarHBondContact N-O 3.34Å; C232-H237 PolarHBondContact SG-NE2 3.43Å; E234-H237 IonicContact OE2-CE1 3.71Å; H237-C242 WeakPolarHBondContact CD2-CA 3.4Å; H237-C242 PolarHBondContact NE2-SG 2.88Å
238T88.8Confident86.6Confident65 Ų6555.8 Ų55.840%0.39933%0.325SS..  trans-102.2169.5175.968.90000110.3V227 K240 T241 C242V227-T238 HydrophobicContact CG2-CG2 4.26Å; T238-K240 PolarHBondContact O-N 3.43Å; T238-K240 VanDerWaalsContact O-N 3.14Å; T238-T241 PolarHBondContact N-OG1 2.93Å; T238-T241 CarbonylContact O-C 3.53Å; T238-T241 PolarHBondContact O-N 3.4Å; T238-T241 PolarHBondContact O-OG1 3.36Å; T238-C242 PolarHBondContact O-N 3.27Å
239F86.9Confident85.9Confident24 Ų2459.4 Ų59.411%0.10534%0.336CS..G310 helixtrans-51.7-38.9175.6171.6-119.8000112.9V120 L176 L231 T241 C242V120-F239 HydrophobicContact CG2-CZ 4.49Å; L176-F239 VanDerWaalsContact C-CD1 3.48Å; L176-F239 HydrophobicContact CB-CD1 3.91Å; L176-F239 HydrophobicContact CB-CD2 4.18Å; L176-F239 HydrophobicContact CB-CE1 3.87Å; L176-F239 HydrophobicContact CB-CE2 4.13Å; L176-F239 HydrophobicContact CB-CG 4.06Å; L176-F239 HydrophobicContact CB-CZ 3.98Å; L176-F239 HydrophobicContact CD1-CE2 4.32Å; L176-F239 HydrophobicContact CD1-CZ 4.37Å; L231-F239 HydrophobicContact CB-CD2 3.81Å; L231-F239 HydrophobicContact CB-CE2 4.39Å; L231-F239 HydrophobicContact CD1-CE2 4.38Å; L231-F239 HydrophobicContact CD2-CD2 3.99Å; L231-F239 HydrophobicContact CD2-CE2 3.94Å; L231-F239 HydrophobicContact CG-CD2 4.35Å; L231-F239 HydrophobicContact CG-CE2 4.47Å; F239-T241 PolarHBondContact O-N 3.24Å; F239-C242 WeakPolarHBondContact O-CB 3.37Å; F239-C242 PolarHBondContact O-N 3.5Å
240K85.5Confident84.3Confident168 Ų16866.3 Ų66.373%0.7338%0.379SS*.G310 helixtrans-60.3-34.4179.1-69-173.2177.2-175.30112.9T238 N248T238-K240 PolarHBondContact O-N 3.43Å; T238-K240 VanDerWaalsContact O-N 3.14Å; K240-N248 PolarHBondContact O-ND2 3.36Å; K240-N248 PolarHBondContact O-OD1 3.19Å
241T86.6Confident84.1Confident90 Ų9066.6 Ų66.655%0.55238%0.381SS*.G310 helixtrans-108.516-177.555.10000112.3T238 F239T238-T241 PolarHBondContact N-OG1 2.93Å; T238-T241 CarbonylContact O-C 3.53Å; T238-T241 PolarHBondContact O-N 3.4Å; T238-T241 PolarHBondContact O-OG1 3.36Å; F239-T241 PolarHBondContact O-N 3.24Å
242C87.6Confident83.8Confident0 Ų070.1 Ų70.10%040%0.401CS..  trans-75124.3-176.8-1760000110.8L231 C232 H237 T238 F239 S244 S245 N248L231-C242 HydrophobicContact CD2-CB 4.38Å; C232-C242 VanDerWaalsContact SG-SG 3.63Å; H237-C242 WeakPolarHBondContact CD2-CA 3.4Å; H237-C242 PolarHBondContact NE2-SG 2.88Å; T238-C242 PolarHBondContact O-N 3.27Å; F239-C242 WeakPolarHBondContact O-CB 3.37Å; F239-C242 PolarHBondContact O-N 3.5Å; C242-S244 PolarHBondContact O-N 2.78Å; C242-S244 PolarHBondContact SG-N 3.24Å; C242-S244 VanDerWaalsContact SG-N 3.39Å; C242-S245 VanDerWaalsContact O-CB 3.23Å; C242-S245 WeakPolarHBondContact O-CB 3.36Å; C242-S245 PolarHBondContact O-N 2.91Å; C242-N248 PolarHBondContact N-ND2 3.14Å; C242-N248 WeakPolarHBondContact O-CB 3.35Å; C242-N248 PolarHBondContact O-ND2 2.79Å
243P86.9Confident83.5Confident77 Ų7772.4 Ų72.450%0.541%0.413SS..THydrogen-bonded Turntrans-68.7-15.3176.429.4-35.7000112.4R249P243-R249 WeakPolarHBondContact O-CG 3.48Å; P243-R249 PolarHBondContact O-NE 3.48Å
244S85.4Confident83.4Confident26 Ų2674.6 Ų74.618%0.18242%0.416CS..THydrogen-bonded Turntrans-90.1-4.8173.3-66.80000114.2C242 R249C242-S244 PolarHBondContact O-N 2.78Å; C242-S244 PolarHBondContact SG-N 3.24Å; C242-S244 VanDerWaalsContact SG-N 3.39Å; S244-R249 PolarHBondContact OG-NH2 2.83Å
245S85.6Confident83Confident4 Ų472.2 Ų72.23%0.02841%0.409CS..SBendtrans-71134172.5-177.40000109.9D124 L231 C242 A247 N248 R249D124-S245 WeakPolarHBondContact OD1-CA 3.44Å; L231-S245 VanDerWaalsContact CD2-CA 3.44Å; C242-S245 VanDerWaalsContact O-CB 3.23Å; C242-S245 WeakPolarHBondContact O-CB 3.36Å; C242-S245 PolarHBondContact O-N 2.91Å; S245-A247 PolarHBondContact O-N 3.42Å; S245-N248 PolarHBondContact O-N 3.34Å; S245-R249 PolarHBondContact O-N 3.34Å
246Y82.3Confident82.7Confident95 Ų9572.9 Ų72.937%0.37341%0.407SS..Hα-helixtrans-53.3-44.6175.8178.8-90.3000111.2R121 E123 D124 N248 R249 V250R121-Y246 HydrophobicContact CB-CD1 4.17Å; R121-Y246 HydrophobicContact CB-CG 4.06Å; R121-Y246 HydrophobicContact CG-CD1 3.53Å; R121-Y246 HydrophobicContact CG-CE1 3.89Å; R121-Y246 HydrophobicContact CG-CG 3.94Å; E123-Y246 HydrophobicContact CB-CD2 4.11Å; E123-Y246 HydrophobicContact CG-CD2 3.98Å; E123-Y246 HydrophobicContact CG-CE2 4.5Å; D124-Y246 PolarHBondContact OD1-N 3.25Å; Y246-N248 PolarHBondContact O-N 3.33Å; Y246-N248 VanDerWaalsContact O-N 3.11Å; Y246-R249 PolarHBondContact O-N 3.33Å; Y246-R249 VanDerWaalsContact O-N 3.13Å; Y246-V250 HydrophobicContact CD1-CG2 4.36Å; Y246-V250 HydrophobicContact CE1-CG2 3.94Å; Y246-V250 HydrophobicContact CE2-CG2 4.1Å; Y246-V250 PolarHBondContact O-N 2.98Å
247A79.7Confident82.4Confident63 Ų6373.5 Ų73.552%0.52139%0.389SS..Hα-helixtrans-63.3-18.6-178.300000114.4S245S245-A247 PolarHBondContact O-N 3.42Å
248N80.2Confident82Confident77 Ų7777.1 Ų77.141%0.41241%0.409SS..Hα-helixtrans-105.3-8.1179.5-63.9-27.6000113K240 C242 S245 Y246K240-N248 PolarHBondContact O-ND2 3.36Å; K240-N248 PolarHBondContact O-OD1 3.19Å; C242-N248 PolarHBondContact N-ND2 3.14Å; C242-N248 WeakPolarHBondContact O-CB 3.35Å; C242-N248 PolarHBondContact O-ND2 2.79Å; S245-N248 PolarHBondContact O-N 3.34Å; Y246-N248 PolarHBondContact O-N 3.33Å; Y246-N248 VanDerWaalsContact O-N 3.11Å
249R72.8Confident81.4Confident164 Ų16478.1 Ų78.162%0.61941%0.41SS*.Hα-helixtrans-90.8-19.5175.8-74.3-175.6177.4-175.54.4112.7P243 S244 S245 Y246P243-R249 WeakPolarHBondContact O-CG 3.48Å; P243-R249 PolarHBondContact O-NE 3.48Å; S244-R249 PolarHBondContact OG-NH2 2.83Å; S245-R249 PolarHBondContact O-N 3.34Å; Y246-R249 PolarHBondContact O-N 3.33Å; Y246-R249 VanDerWaalsContact O-N 3.13Å
250V57Low80.9Confident149 Ų14983 Ų8390%0.90344%0.438SS*.  trans-100.30177.8-173.90000108.2Y246Y246-V250 HydrophobicContact CD1-CG2 4.36Å; Y246-V250 HydrophobicContact CE1-CG2 3.94Å; Y246-V250 HydrophobicContact CE2-CG2 4.1Å; Y246-V250 PolarHBondContact O-N 2.98Å

Retrieved 250 of 250 residues in 295.3 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).