A0A077Z5X6_TRITR Loading...

DUF7107 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z5X6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 aa.

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

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
1M39.5Very low49.1Very low236 Ų236163.1 Ų163.1100%1.16383%0.834SS**  0121.30-150.471-179.300107
2F41.1Very low49.3Very low208 Ų208160.7 Ų160.791%0.91284%0.84SS**  trans-50.4123.4-162.4-73.7-87.7000113.8S4F2-S4 PolarHBondContact O-N 3.08Å
3P46.9Very low49.6Very low118 Ų118161.3 Ų161.377%0.76684%0.836SS**  trans-68.1128.4179.425.1-30.6000110.8Q5P3-Q5 PolarHBondContact O-N 3.3Å
4S54.8Low50.1Low115 Ų115164.6 Ų164.680%0.80484%0.841SS**  trans-28110.2172.6-167.10000112.9F2 K6F2-S4 PolarHBondContact O-N 3.08Å; S4-K6 PolarHBondContact O-N 3.27Å
5Q55.6Low50.5Low187 Ų187158.1 Ų158.187%0.87483%0.831SS**  trans-59.5109174.3-64.2-173.712.100107.6P3 A7P3-Q5 PolarHBondContact O-N 3.3Å; Q5-A7 PolarHBondContact O-N 3.1Å
6K51.8Low51.3Low187 Ų187158.2 Ų158.281%0.81383%0.825SS**  trans-42.3115.8170.9-80.1166.5173.6-91.40108.1S4 L8S4-K6 PolarHBondContact O-N 3.27Å; K6-L8 VanDerWaalsContact C-N 3.29Å; K6-L8 PolarHBondContact O-N 3.33Å
7A53.3Low52.5Low98 Ų98154.1 Ų154.181%0.8181%0.808SS**  trans-52.8100.4162.800000106.9Q5 A9Q5-A7 PolarHBondContact O-N 3.1Å; A7-A9 PolarHBondContact O-N 3.45Å
8L51.7Low53.8Low138 Ų138147.6 Ų147.672%0.72378%0.778SS**  trans-63.1100.6165.9-9788.3000104.9K6 Y10K6-L8 VanDerWaalsContact C-N 3.29Å; K6-L8 PolarHBondContact O-N 3.33Å; L8-Y10 VanDerWaalsContact C-N 3.27Å; L8-Y10 WeakPolarHBondContact O-CD2 3.36Å; L8-Y10 PolarHBondContact O-N 3.01Å
9A50.1Low55.6Low82 Ų82145.1 Ų145.168%0.67877%0.771SS**  trans-53.1102.8158.100000105.8A7 R11A7-A9 PolarHBondContact O-N 3.45Å; A9-R11 PolarHBondContact O-N 3.43Å
10Y49.8Very low57.2Low217 Ų217138.1 Ų138.185%0.85173%0.734SS**  trans-65.577.3165.8-78.7-91.1000106.4L8 C12L8-Y10 VanDerWaalsContact C-N 3.27Å; L8-Y10 WeakPolarHBondContact O-CD2 3.36Å; L8-Y10 PolarHBondContact O-N 3.01Å; Y10-C12 PolarHBondContact O-N 3.42Å
11R45.3Very low58.7Low208 Ų208137 Ų13779%0.78573%0.733SS**  trans-55.8126.3161.8-76.7179.3176.1178.4-1.9104.9A9 Q13A9-R11 PolarHBondContact O-N 3.43Å; R11-Q13 HydrophobicContact CB-CG 4.35Å; R11-Q13 PolarHBondContact O-N 3.15Å
12C51.3Low60.9Low134 Ų134134 Ų13491%0.90571%0.709SS**  trans-60.478.1161.7-61.30000107.2Y10 K14Y10-C12 PolarHBondContact O-N 3.42Å; C12-K14 PolarHBondContact O-N 2.85Å
13Q53.9Low62.9Low169 Ų169127 Ų12779%0.7968%0.679SS**  trans-61.2123167.9-66.2179.631.800104.2R11 G15R11-Q13 HydrophobicContact CB-CG 4.35Å; R11-Q13 PolarHBondContact O-N 3.15Å; Q13-G15 PolarHBondContact O-N 3.06Å
14K56.3Low64.5Low208 Ų208125.9 Ų125.990%0.90467%0.673SS**  trans-42.9114.7174.9-71.2-170.8174.8-175.80107.2C12 H16C12-K14 PolarHBondContact O-N 2.85Å; K14-H16 PolarHBondContact O-N 3.42Å
15G55.9Low65.9Low67 Ų67124.7 Ų124.769%0.69166%0.655SS**  trans-51.2117.2-164.400000110.1Q13 V17Q13-G15 PolarHBondContact O-N 3.06Å; G15-V17 PolarHBondContact O-N 3.46Å; G15-V17 VanDerWaalsContact O-N 3.12Å
16H63.2Low67.3Low159 Ų159116.3 Ų116.374%0.73662%0.617SS**  trans-68.4110.4168.1-174.3-85.7000105.9K14 S18K14-H16 PolarHBondContact O-N 3.42Å; H16-S18 VanDerWaalsContact C-N 3.32Å; H16-S18 PolarHBondContact O-N 2.03Å
17V71.3Confident68.7Low88 Ų88114 Ų11453%0.53361%0.612SS.*  trans-65.398.7175.1-178.40000106.7G15 N36G15-V17 PolarHBondContact O-N 3.46Å; G15-V17 VanDerWaalsContact O-N 3.12Å; V17-N36 HydrophobicContact CG1-CB 3.59Å; V17-N36 WeakPolarHBondContact CG1-OD1 3.29Å
18S77.5Confident70.1Confident37 Ų37113 Ų11326%0.25961%0.611SS.*  trans-85.6133.517751.90000109.1H16 C37H16-S18 VanDerWaalsContact C-N 3.32Å; H16-S18 PolarHBondContact O-N 2.03Å; S18-C37 PolarHBondContact O-N 2.87Å; S18-C37 WeakPolarHBondContact OG-CB 3.5Å; S18-C37 PolarHBondContact OG-SG 2.97Å
19P88Confident71.5Confident100 Ų100112 Ų11265%0.64960%0.603SS**BIsolated β-bridgetrans-64.2147.8170.829.3-34000109.3N35P19-N35 CarbonylContact C-O 3.59Å; P19-N35 WeakPolarHBondContact CA-O 3.38Å
20C87.2Confident73.2Confident6 Ų6110.6 Ų110.64%0.04158%0.582CS.*  trans-147.4153.9179.4580000110.3E25 C32 N35 N36 C37C20-E25 WeakPolarHBondContact CA-OE2 3.42Å; C20-E25 HydrophobicContact CB-CB 4.09Å; C20-C32 HydrophobicContact CB-CB 3.8Å; C20-C32 WeakPolarHBondContact CB-SG 3.42Å; C20-C32 PolarHBondContact O-SG 3.15Å; C20-C32 WeakPolarHBondContact SG-CA 3.41Å; C20-C32 WeakPolarHBondContact SG-CB 3.12Å; C20-C32 CovalentContact SG-SG 2.03Å; C20-C32 PolarHBondContact SG-SG 3.27Å; C20-N35 PolarHBondContact N-O 3.43Å; C20-N35 CarbonylContact O-C 3.45Å; C20-N35 VanDerWaalsContact O-CA 3.28Å; C20-N35 WeakPolarHBondContact O-CA 3.42Å; C20-N36 PolarHBondContact SG-N 3.1Å; C20-C37 VanDerWaalsContact CB-SG 3.59Å; C20-C37 PolarHBondContact SG-N 3.24Å; C20-C37 VanDerWaalsContact SG-N 3.43Å
21T88Confident74.9Confident116 Ų116100.4 Ų100.471%0.71254%0.543SS*.SBendtrans-111-28.8170.5-26.70000110.9E25T21-E25 WeakPolarHBondContact CA-OE1 3.45Å; T21-E25 WeakPolarHBondContact CB-OE1 3.41Å; T21-E25 PolarHBondContact N-OE1 2.94Å; T21-E25 PolarHBondContact N-OE2 2.74Å; T21-E25 PolarHBondContact OG1-OE1 2.04Å
22R85.5Confident76.9Confident173 Ų17391.2 Ų91.265%0.65351%0.51SS*.SBendtrans-130.8153.1-178.4-60.5179.463.5-165.1-2.5111.2S24 E25R22-S24 PolarHBondContact O-N 2.86Å; R22-E25 HydrophobicContact CB-CG 4.49Å; R22-E25 PolarHBondContact N-OE1 3.18Å; R22-E25 WeakPolarHBondContact O-CB 2.99Å; R22-E25 PolarHBondContact O-N 3.15Å
23H83.3Confident78.5Confident61 Ų6189.1 Ų89.128%0.28248%0.484SS..G310 helixtrans-63.9-28.9-177.6-61.919.8000112.5E25 C26 M31 C32 A60 I62H23-E25 PolarHBondContact O-N 3.34Å; H23-C26 PolarHBondContact O-N 3.06Å; H23-C26 VanDerWaalsContact O-N 3.15Å; H23-M31 WeakPolarHBondContact NE2-CE 3.24Å; H23-C32 PolarHBondContact CE1-O 3.22Å; H23-A60 VanDerWaalsContact CD2-CB 3.42Å; H23-A60 WeakPolarHBondContact CD2-CB 3.44Å; H23-A60 WeakPolarHBondContact NE2-CB 3.46Å; H23-I62 HydrophobicContact CB-CD1 4.17Å; H23-I62 HydrophobicContact CB-CG1 4.44Å; H23-I62 VanDerWaalsContact CD2-CD1 3.5Å; H23-I62 WeakPolarHBondContact CD2-CD1 2.92Å
24S81.1Confident79.9Confident93 Ų9384.4 Ų84.465%0.6547%0.474SS*.G310 helixtrans-66.9-15.1175.3550000114.7R22 C26R22-S24 PolarHBondContact O-N 2.86Å; S24-C26 VanDerWaalsContact C-N 3.29Å
25E84.8Confident81.3Confident90 Ų9079.9 Ų79.942%0.42146%0.46SS..G310 helixtrans-78.7-19174.7-64.6171.1-126.900111.7C20 T21 R22 H23C20-E25 WeakPolarHBondContact CA-OE2 3.42Å; C20-E25 HydrophobicContact CB-CB 4.09Å; T21-E25 WeakPolarHBondContact CA-OE1 3.45Å; T21-E25 WeakPolarHBondContact CB-OE1 3.41Å; T21-E25 PolarHBondContact N-OE1 2.94Å; T21-E25 PolarHBondContact N-OE2 2.74Å; T21-E25 PolarHBondContact OG1-OE1 2.04Å; R22-E25 HydrophobicContact CB-CG 4.49Å; R22-E25 PolarHBondContact N-OE1 3.18Å; R22-E25 WeakPolarHBondContact O-CB 2.99Å; R22-E25 PolarHBondContact O-N 3.15Å; H23-E25 PolarHBondContact O-N 3.34Å
26C85Confident82.8Confident12 Ų1279.8 Ų79.88%0.08144%0.443CS..SBendtrans-87.7128.3178.9-56.80000110.4H23 S24 Q30 C37H23-C26 PolarHBondContact O-N 3.06Å; H23-C26 VanDerWaalsContact O-N 3.15Å; S24-C26 VanDerWaalsContact C-N 3.29Å; C26-Q30 HydrophobicContact CB-CB 3.71Å; C26-C37 WeakPolarHBondContact CA-SG 3.03Å; C26-C37 HydrophobicContact CB-CB 3.79Å; C26-C37 WeakPolarHBondContact CB-SG 3.46Å; C26-C37 WeakPolarHBondContact SG-CA 3.49Å; C26-C37 WeakPolarHBondContact SG-CB 2.91Å; C26-C37 CovalentContact SG-SG 2.04Å; C26-C37 PolarHBondContact SG-SG 3.37Å
27I80.9Confident84Confident138 Ų13872.4 Ų72.471%0.70841%0.41SS*.  trans-89.1140.8-178.958.4166.9000111.6Q30I27-Q30 PolarHBondContact O-NE2 3.19Å
28G81.5Confident84.6Confident76 Ų7669.3 Ų69.378%0.78439%0.391SS*.SBendtrans76.2-142.8178.200000112.9Q30G28-Q30 PolarHBondContact O-N 2.03Å; G28-Q30 VanDerWaalsContact O-N 3.13Å
29Q82.2Confident85Confident119 Ų11971.6 Ų71.656%0.55640%0.404SS*.SBendtrans-89.158-179.4-161.9176.438.700110.9A40Q29-A40 WeakPolarHBondContact CG-O 3.24Å; Q29-A40 PolarHBondContact O-N 2.92Å
30Q85.7Confident84.8Confident51 Ų5167.1 Ų67.124%0.23838%0.376CS..EExtended strand (participates in β ladder)trans-126.7151.7-179.5-70-178.377.100109.9C26 I27 G28 V38C26-Q30 HydrophobicContact CB-CB 3.71Å; I27-Q30 PolarHBondContact O-NE2 3.19Å; G28-Q30 PolarHBondContact O-N 2.03Å; G28-Q30 VanDerWaalsContact O-N 3.13Å; Q30-V38 CarbonylContact C-O 3.5Å; Q30-V38 VanDerWaalsContact CA-O 3.24Å; Q30-V38 WeakPolarHBondContact CA-O 3.28Å; Q30-V38 WeakPolarHBondContact CB-O 3.38Å
31M85.2Confident84.6Confident4 Ų471.6 Ų71.62%0.0240%0.397CS..EExtended strand (participates in β ladder)trans-127.7156.5173.275177.8-66.500110.9H23 Y33 C37 V38 A40 A60 I62 P69H23-M31 WeakPolarHBondContact NE2-CE 3.24Å; M31-Y33 PolarHBondContact O-N 3.06Å; M31-C37 WeakPolarHBondContact O-CA 3.5Å; M31-V38 HydrophobicContact CG-CG2 4.25Å; M31-V38 PolarHBondContact N-O 3.05Å; M31-V38 PolarHBondContact O-N 3.24Å; M31-A40 HydrophobicContact CB-CB 3.93Å; M31-A40 HydrophobicContact CG-CB 3.87Å; M31-A40 HydrophobicContact SD-CB 4.25Å; M31-A60 HydrophobicContact CE-CB 3.86Å; M31-I62 HydrophobicContact CB-CD1 3.42Å; M31-I62 VanDerWaalsContact CB-CD1 3.42Å; M31-P69 HydrophobicContact SD-CB 4.21Å; M31-P69 WeakPolarHBondContact SD-CD 3.02Å; M31-P69 HydrophobicContact SD-CG 4.41Å
32C86.9Confident84.5Confident14 Ų1469.5 Ų69.510%0.09539%0.386CS..EExtended strand (participates in β ladder)trans-83.8109.9177-169.40000110C20 H23C20-C32 HydrophobicContact CB-CB 3.8Å; C20-C32 WeakPolarHBondContact CB-SG 3.42Å; C20-C32 PolarHBondContact O-SG 3.15Å; C20-C32 WeakPolarHBondContact SG-CA 3.41Å; C20-C32 WeakPolarHBondContact SG-CB 3.12Å; C20-C32 CovalentContact SG-SG 2.03Å; C20-C32 PolarHBondContact SG-SG 3.27Å; H23-C32 PolarHBondContact CE1-O 3.22Å
33Y85Confident84.3Confident90 Ų9063.8 Ų63.835%0.35338%0.376SS..EExtended strand (participates in β ladder)trans-130.3128.5179.5-172-100.3000109.8M31 N35 N36 P69M31-Y33 PolarHBondContact O-N 3.06Å; Y33-N35 VanDerWaalsContact C-N 3.27Å; Y33-N35 PolarHBondContact O-N 3.47Å; Y33-N36 PolarHBondContact N-O 2.85Å; Y33-N36 PolarHBondContact O-N 3.34Å; Y33-P69 HydrophobicContact CD1-CB 4.41Å; Y33-P69 HydrophobicContact CD2-CB 4.31Å; Y33-P69 HydrophobicContact CD2-CG 3.93Å; Y33-P69 HydrophobicContact CE2-CG 4.05Å; Y33-P69 HydrophobicContact CG-CB 4.11Å; Y33-P69 HydrophobicContact CG-CG 4.22Å
34A82.9Confident84.1Confident71 Ų7163 Ų6359%0.58738%0.384SS*.THydrogen-bonded Turntrans50.345-17600000113.5N36A34-N36 PolarHBondContact O-N 2.83Å; A34-N36 PolarHBondContact O-ND2 2.93Å
35N85.4Confident84.2Confident113 Ų11360.9 Ų60.960%0.60438%0.377SS*.THydrogen-bonded Turntrans61.118.1-176.4-54.6-65.1000115.4P19 C20 Y33P19-N35 CarbonylContact C-O 3.59Å; P19-N35 WeakPolarHBondContact CA-O 3.38Å; C20-N35 PolarHBondContact N-O 3.43Å; C20-N35 CarbonylContact O-C 3.45Å; C20-N35 VanDerWaalsContact O-CA 3.28Å; C20-N35 WeakPolarHBondContact O-CA 3.42Å; Y33-N35 VanDerWaalsContact C-N 3.27Å; Y33-N35 PolarHBondContact O-N 3.47Å
36N87.8Confident84.2Confident64 Ų6464.8 Ų64.834%0.34240%0.398SS..EExtended strand (participates in β ladder)trans-131.1138.5-179.8-71-66.5000110.4V17 C20 Y33 A34 V38V17-N36 HydrophobicContact CG1-CB 3.59Å; V17-N36 WeakPolarHBondContact CG1-OD1 3.29Å; C20-N36 PolarHBondContact SG-N 3.1Å; Y33-N36 PolarHBondContact N-O 2.85Å; Y33-N36 PolarHBondContact O-N 3.34Å; A34-N36 PolarHBondContact O-N 2.83Å; A34-N36 PolarHBondContact O-ND2 2.93Å; N36-V38 HydrophobicContact CB-CG1 4.47Å; N36-V38 PolarHBondContact O-N 3.09Å
37C88Confident84.4Confident5 Ų564.7 Ų64.73%0.03440%0.397CS..EExtended strand (participates in β ladder)trans-71.9114.9170.7-67.60000108.7S18 C20 C26 M31S18-C37 PolarHBondContact O-N 2.87Å; S18-C37 WeakPolarHBondContact OG-CB 3.5Å; S18-C37 PolarHBondContact OG-SG 2.97Å; C20-C37 VanDerWaalsContact CB-SG 3.59Å; C20-C37 PolarHBondContact SG-N 3.24Å; C20-C37 VanDerWaalsContact SG-N 3.43Å; C26-C37 WeakPolarHBondContact CA-SG 3.03Å; C26-C37 HydrophobicContact CB-CB 3.79Å; C26-C37 WeakPolarHBondContact CB-SG 3.46Å; C26-C37 WeakPolarHBondContact SG-CA 3.49Å; C26-C37 WeakPolarHBondContact SG-CB 2.91Å; C26-C37 CovalentContact SG-SG 2.04Å; C26-C37 PolarHBondContact SG-SG 3.37Å; M31-C37 WeakPolarHBondContact O-CA 3.5Å
38V85.7Confident84.7Confident22 Ų2265.6 Ų65.613%0.13340%0.401CS..EExtended strand (participates in β ladder)trans-117.3152177.8-61.30000109.5Q30 M31 N36 A40 P69 V71Q30-V38 CarbonylContact C-O 3.5Å; Q30-V38 VanDerWaalsContact CA-O 3.24Å; Q30-V38 WeakPolarHBondContact CA-O 3.28Å; Q30-V38 WeakPolarHBondContact CB-O 3.38Å; M31-V38 HydrophobicContact CG-CG2 4.25Å; M31-V38 PolarHBondContact N-O 3.05Å; M31-V38 PolarHBondContact O-N 3.24Å; N36-V38 HydrophobicContact CB-CG1 4.47Å; N36-V38 PolarHBondContact O-N 3.09Å; V38-A40 PolarHBondContact O-N 3.27Å; V38-P69 HydrophobicContact CG2-CB 3.97Å; V38-V71 HydrophobicContact CB-CG2 3.56Å; V38-V71 HydrophobicContact CG1-CG2 3.76Å; V38-V71 HydrophobicContact CG2-CG2 3.63Å
39P85.3Confident84.8Confident85 Ų8565.5 Ų65.555%0.55239%0.386SS*.EExtended strand (participates in β ladder)trans-54132.5171.6-23.634.2000110.1A70P39-A70 HydrophobicContact CB-CB 4.31Å; P39-A70 WeakPolarHBondContact O-CB 3.39Å; P39-A70 PolarHBondContact O-N 2.88Å
40A82.9Confident84.8Confident6 Ų663.6 Ų63.65%0.0538%0.379CS..EExtended strand (participates in β ladder)trans-111147.6177.300000109.8Q29 M31 V38 M67 V68Q29-A40 WeakPolarHBondContact CG-O 3.24Å; Q29-A40 PolarHBondContact O-N 2.92Å; M31-A40 HydrophobicContact CB-CB 3.93Å; M31-A40 HydrophobicContact CG-CB 3.87Å; M31-A40 HydrophobicContact SD-CB 4.25Å; V38-A40 PolarHBondContact O-N 3.27Å; A40-M67 HydrophobicContact CB-CB 4.27Å; A40-M67 HydrophobicContact CB-SD 4.34Å; A40-V68 CarbonylContact C-O 3.54Å; A40-V68 WeakPolarHBondContact CA-O 3.36Å
41M83.8Confident84.5Confident100 Ų10066.1 Ų66.149%0.49340%0.402SS..EExtended strand (participates in β ladder)trans-118.1146.317261.4-179.1-176.300110A43 M67 V68 A70M41-A43 PolarHBondContact O-N 3Å; M41-M67 WeakPolarHBondContact O-CA 3.41Å; M41-V68 HydrophobicContact CE-CG2 3.63Å; M41-V68 HydrophobicContact CG-CG2 3.52Å; M41-V68 PolarHBondContact N-O 2.92Å; M41-V68 WeakPolarHBondContact O-CG2 3.04Å; M41-V68 PolarHBondContact O-N 3.24Å; M41-V68 HydrophobicContact SD-CG2 4.45Å; M41-A70 HydrophobicContact CB-CB 4.26Å; M41-A70 HydrophobicContact CG-CB 4.16Å; M41-A70 HydrophobicContact SD-CB 4.38Å
42P85.4Confident84.5Confident73 Ų7370.4 Ų70.447%0.47443%0.426SS..EExtended strand (participates in β ladder)trans-69.2115.5173.628-31.2000108.6G44 I65P42-G44 PolarHBondContact O-N 2.98Å; P42-I65 HydrophobicContact CB-CG2 4.29Å
43A80.9Confident84.4Confident52 Ų5270.2 Ų70.243%0.4342%0.424SS..EExtended strand (participates in β ladder)trans-72-18.1173.500000112M41 C66 V68M41-A43 PolarHBondContact O-N 3Å; A43-C66 PolarHBondContact N-O 2.94Å; A43-V68 HydrophobicContact CB-CB 4.47Å; A43-V68 HydrophobicContact CB-CG1 3.74Å; A43-V68 HydrophobicContact CB-CG2 3.94Å
44G78.9Confident84.3Confident45 Ų4570.8 Ų70.846%0.46443%0.43SS..EExtended strand (participates in β ladder)trans99153.7-173.900000111.7P42P42-G44 PolarHBondContact O-N 2.98Å
45G83.8Confident84Confident49 Ų4971.6 Ų71.651%0.50543%0.428SS..EExtended strand (participates in β ladder)trans95.3141.8-175.200000113.3C66G45-C66 PolarHBondContact O-N 2.8Å; G45-C66 VanDerWaalsContact O-N 3.09Å
46M85.3Confident83.4Confident172 Ų17275.7 Ų75.785%0.84744%0.44SS*.EExtended strand (participates in β ladder)trans-89.2142.6173.5-62.5-178.9-65.900109.3G64M46-G64 WeakPolarHBondContact CA-O 3.38Å
47C88.4Confident82.5Confident9 Ų976.3 Ų76.36%0.06144%0.444CS..  trans-137.2155-179.960.50000110.4N52 C53 C61 G64 I65C47-N52 HydrophobicContact CB-CB 3.64Å; C47-C53 WeakPolarHBondContact CB-SG 3.44Å; C47-C53 VanDerWaalsContact SG-SG 3.63Å; C47-C61 HydrophobicContact CB-CB 3.69Å; C47-C61 WeakPolarHBondContact CB-SG 3.3Å; C47-C61 PolarHBondContact O-SG 3.36Å; C47-C61 VanDerWaalsContact O-SG 3.34Å; C47-C61 WeakPolarHBondContact SG-CA 3.48Å; C47-C61 WeakPolarHBondContact SG-CB 3.47Å; C47-C61 CovalentContact SG-SG 2.03Å; C47-C61 PolarHBondContact SG-SG 2.9Å; C47-G64 PolarHBondContact N-O 3.21Å; C47-G64 CarbonylContact O-C 3.38Å; C47-G64 VanDerWaalsContact O-CA 3.29Å; C47-G64 WeakPolarHBondContact O-CA 3.34Å; C47-G64 VanDerWaalsContact SG-C 3.51Å; C47-I65 PolarHBondContact SG-N 3Å; C47-I65 VanDerWaalsContact SG-N 3.42Å; C47-I65 PolarHBondContact SG-O 2.98Å
48I87.3Confident82Confident157 Ų15777.3 Ų77.381%0.80545%0.454SS*.SBendtrans-110.5-37.8169.5-57.6174.6000108.8N52I48-N52 PolarHBondContact N-OD1 3.46Å
49T84.3Confident81.9Confident74 Ų7477.5 Ų77.545%0.45445%0.454SS..SBendtrans-129.4164.7174.765.10000110.6S51 N52 C61T49-S51 PolarHBondContact O-N 3.43Å; T49-S51 VanDerWaalsContact O-N 3.08Å; T49-N52 PolarHBondContact N-OD1 2.97Å; T49-N52 VanDerWaalsContact N-OD1 3.1Å; T49-N52 WeakPolarHBondContact O-CB 3.5Å; T49-N52 PolarHBondContact O-N 2.88Å; T49-N52 PolarHBondContact O-OD1 3.13Å; T49-N52 PolarHBondContact OG1-OD1 2.04Å; T49-C61 VanDerWaalsContact C-CB 3.47Å; T49-C61 WeakPolarHBondContact O-CB 3.21Å
50D81.7Confident81.8Confident79 Ų7973.7 Ų73.742%0.42243%0.43SS..G310 helixtrans-57.9-24178.8-59.3-37.8000113.1N52 C53 T55 C61D50-N52 VanDerWaalsContact C-N 3.28Å; D50-N52 PolarHBondContact O-N 3.22Å; D50-C53 WeakPolarHBondContact O-CB 3.27Å; D50-C53 PolarHBondContact O-N 3.31Å; D50-C53 VanDerWaalsContact O-O 3.13Å; D50-T55 PolarHBondContact O-OG1 3.23Å; D50-C61 WeakPolarHBondContact OD1-CB 3.45Å; D50-C61 PolarHBondContact OD1-N 3.07Å
51S80.6Confident82.1Confident104 Ų10474.6 Ų74.673%0.72744%0.435SS*.G310 helixtrans-69.7-21.4177.1-47.90000113.8T49T49-S51 PolarHBondContact O-N 3.43Å; T49-S51 VanDerWaalsContact O-N 3.08Å
52N85.3Confident82.2Confident95 Ų9571 Ų7151%0.50842%0.418SS..G310 helixtrans-74.3-16.7170.9-65.1102.4000112C47 I48 T49 D50C47-N52 HydrophobicContact CB-CB 3.64Å; I48-N52 PolarHBondContact N-OD1 3.46Å; T49-N52 PolarHBondContact N-OD1 2.97Å; T49-N52 VanDerWaalsContact N-OD1 3.1Å; T49-N52 WeakPolarHBondContact O-CB 3.5Å; T49-N52 PolarHBondContact O-N 2.88Å; T49-N52 PolarHBondContact O-OD1 3.13Å; T49-N52 PolarHBondContact OG1-OD1 2.04Å; D50-N52 VanDerWaalsContact C-N 3.28Å; D50-N52 PolarHBondContact O-N 3.22Å
53C84.4Confident82.1Confident9 Ų973.1 Ų73.16%0.06143%0.434CS..SBendtrans-100161.2177.5-54.80000110.4C47 D50 T55 Q59 C66C47-C53 WeakPolarHBondContact CB-SG 3.44Å; C47-C53 VanDerWaalsContact SG-SG 3.63Å; D50-C53 WeakPolarHBondContact O-CB 3.27Å; D50-C53 PolarHBondContact O-N 3.31Å; D50-C53 VanDerWaalsContact O-O 3.13Å; C53-T55 PolarHBondContact O-N 2.92Å; C53-T55 PolarHBondContact O-OG1 2.81Å; C53-Q59 HydrophobicContact CB-CB 3.77Å; C53-C66 WeakPolarHBondContact CA-SG 3.15Å; C53-C66 HydrophobicContact CB-CB 3.81Å; C53-C66 WeakPolarHBondContact CB-SG 3.22Å; C53-C66 WeakPolarHBondContact SG-CA 3.04Å; C53-C66 WeakPolarHBondContact SG-CB 3.36Å; C53-C66 CovalentContact SG-SG 2.04Å; C53-C66 PolarHBondContact SG-SG 2.87Å
54E82.2Confident82.3Confident103 Ų10372.2 Ų72.248%0.48143%0.43SS..  trans-76.776.7177.5-160171.3-166.500110.6K56 N57 Q59E54-K56 PolarHBondContact O-N 3.19Å; E54-N57 HydrophobicContact CB-CB 4.47Å; E54-N57 HydrophobicContact CG-CB 4.36Å; E54-N57 PolarHBondContact O-N 2.85Å; E54-N57 PolarHBondContact OE2-ND2 3.21Å; E54-Q59 HydrophobicContact CB-CG 3.99Å; E54-Q59 VanDerWaalsContact CB-OE1 3.28Å; E54-Q59 VanDerWaalsContact O-CG 3.24Å; E54-Q59 WeakPolarHBondContact O-CG 3.4Å; E54-Q59 PolarHBondContact O-N 3.41Å
55T76.4Confident82.7Confident87 Ų8773.7 Ų73.753%0.53443%0.427SS..G310 helixtrans-55.8-25-175.5-31.30000112.8D50 C53 N57 G58D50-T55 PolarHBondContact O-OG1 3.23Å; C53-T55 PolarHBondContact O-N 2.92Å; C53-T55 PolarHBondContact O-OG1 2.81Å; T55-N57 PolarHBondContact O-N 2.99Å; T55-G58 PolarHBondContact O-N 3.32Å; T55-G58 VanDerWaalsContact O-N 3.1Å
56K73.3Confident82.9Confident200 Ų20071.6 Ų71.687%0.8740%0.404SS*.G310 helixtrans-60.6-31173.9-63.3-173.2-179.8-176.10113.5E54 G58E54-K56 PolarHBondContact O-N 3.19Å; K56-G58 VanDerWaalsContact C-N 3.29Å
57N69.7Low83Confident77 Ų7764.4 Ų64.441%0.41237%0.369SS..G310 helixtrans-93.113.5178.4-68.3-1.9000112.1E54 T55 Q59E54-N57 HydrophobicContact CB-CB 4.47Å; E54-N57 HydrophobicContact CG-CB 4.36Å; E54-N57 PolarHBondContact O-N 2.85Å; E54-N57 PolarHBondContact OE2-ND2 3.21Å; T55-N57 PolarHBondContact O-N 2.99Å; N57-Q59 HydrophobicContact CB-CG 4.04Å; N57-Q59 PolarHBondContact O-N 2.86Å
58G75.8Confident83Confident25 Ų2564.7 Ų64.726%0.25837%0.37SS..THydrogen-bonded Turntrans71.320.3-175.800000113.3T55 K56 P69T55-G58 PolarHBondContact O-N 3.32Å; T55-G58 VanDerWaalsContact O-N 3.1Å; K56-G58 VanDerWaalsContact C-N 3.29Å; G58-P69 WeakPolarHBondContact O-CD 3.04Å
59Q84Confident82.7Confident27 Ų2757.9 Ų57.913%0.12634%0.336CS..  trans-77.6140.6174.5-41.2-158.2-15400110.7C53 E54 N57 M67 V68C53-Q59 HydrophobicContact CB-CB 3.77Å; E54-Q59 HydrophobicContact CB-CG 3.99Å; E54-Q59 VanDerWaalsContact CB-OE1 3.28Å; E54-Q59 VanDerWaalsContact O-CG 3.24Å; E54-Q59 WeakPolarHBondContact O-CG 3.4Å; E54-Q59 PolarHBondContact O-N 3.41Å; N57-Q59 HydrophobicContact CB-CG 4.04Å; N57-Q59 PolarHBondContact O-N 2.86Å; Q59-M67 CarbonylContact C-O 3.56Å; Q59-M67 VanDerWaalsContact CA-O 3.3Å; Q59-M67 WeakPolarHBondContact CA-O 3.24Å; Q59-V68 HydrophobicContact CB-CG1 3.73Å; Q59-V68 HydrophobicContact CG-CG1 3.25Å
60A84.6Confident82.1Confident5 Ų556.3 Ų56.34%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-133.5152.6174.100000110.9H23 M31 I62 M67H23-A60 VanDerWaalsContact CD2-CB 3.42Å; H23-A60 WeakPolarHBondContact CD2-CB 3.44Å; H23-A60 WeakPolarHBondContact NE2-CB 3.46Å; M31-A60 HydrophobicContact CE-CB 3.86Å; A60-I62 HydrophobicContact CB-CG1 4.36Å; A60-I62 PolarHBondContact O-N 3.12Å; A60-M67 PolarHBondContact N-O 2.67Å; A60-M67 PolarHBondContact O-N 2.72Å
61C88.1Confident81.2Confident25 Ų2555.2 Ų55.217%0.16933%0.326CS..EExtended strand (participates in β ladder)trans-84.2107.7177.6-1700000110.3C47 T49 D50C47-C61 HydrophobicContact CB-CB 3.69Å; C47-C61 WeakPolarHBondContact CB-SG 3.3Å; C47-C61 PolarHBondContact O-SG 3.36Å; C47-C61 VanDerWaalsContact O-SG 3.34Å; C47-C61 WeakPolarHBondContact SG-CA 3.48Å; C47-C61 WeakPolarHBondContact SG-CB 3.47Å; C47-C61 CovalentContact SG-SG 2.03Å; C47-C61 PolarHBondContact SG-SG 2.9Å; T49-C61 VanDerWaalsContact C-CB 3.47Å; T49-C61 WeakPolarHBondContact O-CB 3.21Å; D50-C61 WeakPolarHBondContact OD1-CB 3.45Å; D50-C61 PolarHBondContact OD1-N 3.07Å
62I85.1Confident79.7Confident24 Ų2456.8 Ų56.812%0.12333%0.332CS..EExtended strand (participates in β ladder)trans-124.5120.4-178.6-50.2-179.6000107.6H23 M31 A60 G64 I65 M67H23-I62 HydrophobicContact CB-CD1 4.17Å; H23-I62 HydrophobicContact CB-CG1 4.44Å; H23-I62 VanDerWaalsContact CD2-CD1 3.5Å; H23-I62 WeakPolarHBondContact CD2-CD1 2.92Å; M31-I62 HydrophobicContact CB-CD1 3.42Å; M31-I62 VanDerWaalsContact CB-CD1 3.42Å; A60-I62 HydrophobicContact CB-CG1 4.36Å; A60-I62 PolarHBondContact O-N 3.12Å; I62-G64 PolarHBondContact O-N 3.38Å; I62-I65 PolarHBondContact N-O 3.21Å; I62-I65 PolarHBondContact O-N 2.61Å; I62-M67 HydrophobicContact CB-CB 4.33Å; I62-M67 HydrophobicContact CB-CE 4.18Å; I62-M67 HydrophobicContact CB-CG 3.96Å; I62-M67 HydrophobicContact CB-SD 3.69Å; I62-M67 HydrophobicContact CD1-CB 3.88Å; I62-M67 HydrophobicContact CD1-CG 4.32Å; I62-M67 HydrophobicContact CD1-SD 4.02Å; I62-M67 HydrophobicContact CG1-CB 4.19Å; I62-M67 HydrophobicContact CG1-CG 4.38Å; I62-M67 HydrophobicContact CG1-SD 4.34Å; I62-M67 HydrophobicContact CG2-CE 4.26Å; I62-M67 HydrophobicContact CG2-SD 3.94Å
63S83.1Confident77.9Confident117 Ų11755.9 Ų55.982%0.81833%0.33SS*.THydrogen-bonded Turntrans55.933.2178.8-54.70000114
64G86.3Confident75.9Confident33 Ų3361.3 Ų61.334%0.3437%0.365SS..THydrogen-bonded Turntrans84.93.6176.300000115.6M46 C47 I62M46-G64 WeakPolarHBondContact CA-O 3.38Å; C47-G64 PolarHBondContact N-O 3.21Å; C47-G64 CarbonylContact O-C 3.38Å; C47-G64 VanDerWaalsContact O-CA 3.29Å; C47-G64 WeakPolarHBondContact O-CA 3.34Å; C47-G64 VanDerWaalsContact SG-C 3.51Å; I62-G64 PolarHBondContact O-N 3.38Å
65I87.2Confident74.1Confident77 Ų7760.2 Ų60.240%0.39537%0.373SS..EExtended strand (participates in β ladder)trans-129142.6-179.7-57.8170.8000109P42 C47 I62 M67P42-I65 HydrophobicContact CB-CG2 4.29Å; C47-I65 PolarHBondContact SG-N 3Å; C47-I65 VanDerWaalsContact SG-N 3.42Å; C47-I65 PolarHBondContact SG-O 2.98Å; I62-I65 PolarHBondContact N-O 3.21Å; I62-I65 PolarHBondContact O-N 2.61Å; I65-M67 PolarHBondContact O-N 3.2Å
66C88.4Confident72.8Confident4 Ų460.7 Ų60.73%0.02738%0.378CS..EExtended strand (participates in β ladder)trans-71.1115.1175.8-65.40000110.8A43 G45 C53A43-C66 PolarHBondContact N-O 2.94Å; G45-C66 PolarHBondContact O-N 2.8Å; G45-C66 VanDerWaalsContact O-N 3.09Å; C53-C66 WeakPolarHBondContact CA-SG 3.15Å; C53-C66 HydrophobicContact CB-CB 3.81Å; C53-C66 WeakPolarHBondContact CB-SG 3.22Å; C53-C66 WeakPolarHBondContact SG-CA 3.04Å; C53-C66 WeakPolarHBondContact SG-CB 3.36Å; C53-C66 CovalentContact SG-SG 2.04Å; C53-C66 PolarHBondContact SG-SG 2.87Å
67M86.7Confident71.5Confident22 Ų2255.5 Ų55.511%0.10837%0.373CS..EExtended strand (participates in β ladder)trans-107.9149176.9-62.8-164.1-175.900110.7A40 M41 Q59 A60 I62 I65A40-M67 HydrophobicContact CB-CB 4.27Å; A40-M67 HydrophobicContact CB-SD 4.34Å; M41-M67 WeakPolarHBondContact O-CA 3.41Å; Q59-M67 CarbonylContact C-O 3.56Å; Q59-M67 VanDerWaalsContact CA-O 3.3Å; Q59-M67 WeakPolarHBondContact CA-O 3.24Å; A60-M67 PolarHBondContact N-O 2.67Å; A60-M67 PolarHBondContact O-N 2.72Å; I62-M67 HydrophobicContact CB-CB 4.33Å; I62-M67 HydrophobicContact CB-CE 4.18Å; I62-M67 HydrophobicContact CB-CG 3.96Å; I62-M67 HydrophobicContact CB-SD 3.69Å; I62-M67 HydrophobicContact CD1-CB 3.88Å; I62-M67 HydrophobicContact CD1-CG 4.32Å; I62-M67 HydrophobicContact CD1-SD 4.02Å; I62-M67 HydrophobicContact CG1-CB 4.19Å; I62-M67 HydrophobicContact CG1-CG 4.38Å; I62-M67 HydrophobicContact CG1-SD 4.34Å; I62-M67 HydrophobicContact CG2-CE 4.26Å; I62-M67 HydrophobicContact CG2-SD 3.94Å; I65-M67 PolarHBondContact O-N 3.2Å
68V87.7Confident70.3Confident14 Ų1457.3 Ų57.39%0.08539%0.386CS..EExtended strand (participates in β ladder)trans-130.1153.4176.9-69.20000110.6A40 M41 A43 Q59 A70A40-V68 CarbonylContact C-O 3.54Å; A40-V68 WeakPolarHBondContact CA-O 3.36Å; M41-V68 HydrophobicContact CE-CG2 3.63Å; M41-V68 HydrophobicContact CG-CG2 3.52Å; M41-V68 PolarHBondContact N-O 2.92Å; M41-V68 WeakPolarHBondContact O-CG2 3.04Å; M41-V68 PolarHBondContact O-N 3.24Å; M41-V68 HydrophobicContact SD-CG2 4.45Å; A43-V68 HydrophobicContact CB-CB 4.47Å; A43-V68 HydrophobicContact CB-CG1 3.74Å; A43-V68 HydrophobicContact CB-CG2 3.94Å; Q59-V68 HydrophobicContact CB-CG1 3.73Å; Q59-V68 HydrophobicContact CG-CG1 3.25Å; V68-A70 PolarHBondContact O-N 2.86Å
69P82.6Confident68.9Low15 Ų1561.1 Ų61.110%0.09741%0.407CS..EExtended strand (participates in β ladder)trans-62126.2174.225.6-32.5000108.6M31 Y33 V38 G58 V71M31-P69 HydrophobicContact SD-CB 4.21Å; M31-P69 WeakPolarHBondContact SD-CD 3.02Å; M31-P69 HydrophobicContact SD-CG 4.41Å; Y33-P69 HydrophobicContact CD1-CB 4.41Å; Y33-P69 HydrophobicContact CD2-CB 4.31Å; Y33-P69 HydrophobicContact CD2-CG 3.93Å; Y33-P69 HydrophobicContact CE2-CG 4.05Å; Y33-P69 HydrophobicContact CG-CB 4.11Å; Y33-P69 HydrophobicContact CG-CG 4.22Å; V38-P69 HydrophobicContact CG2-CB 3.97Å; G58-P69 WeakPolarHBondContact O-CD 3.04Å; P69-V71 HydrophobicContact CB-CB 4.31Å; P69-V71 HydrophobicContact CB-CG2 3.97Å; P69-V71 PolarHBondContact O-N 3.22Å
70A71.9Confident67.5Low41 Ų4164.8 Ų64.834%0.33943%0.433SS..  trans-75.97.9169.700000111.7P39 M41 V68 T72P39-A70 HydrophobicContact CB-CB 4.31Å; P39-A70 WeakPolarHBondContact O-CB 3.39Å; P39-A70 PolarHBondContact O-N 2.88Å; M41-A70 HydrophobicContact CB-CB 4.26Å; M41-A70 HydrophobicContact CG-CB 4.16Å; M41-A70 HydrophobicContact SD-CB 4.38Å; V68-A70 PolarHBondContact O-N 2.86Å; A70-T72 PolarHBondContact O-N 3.02Å
71V62.3Low66Low55 Ų5569.6 Ų69.633%0.33346%0.464SS..  trans-64.1119172.7-1690000106.6V38 P69 T73V38-V71 HydrophobicContact CB-CG2 3.56Å; V38-V71 HydrophobicContact CG1-CG2 3.76Å; V38-V71 HydrophobicContact CG2-CG2 3.63Å; P69-V71 HydrophobicContact CB-CB 4.31Å; P69-V71 HydrophobicContact CB-CG2 3.97Å; P69-V71 PolarHBondContact O-N 3.22Å; V71-T73 HydrophobicContact CG1-CG2 4.3Å; V71-T73 PolarHBondContact O-N 2.82Å
72T49.1Very low64.5Low138 Ų13874.8 Ų74.885%0.84750%0.495SS*.  trans-68.156.1172.6550000110.2A70A70-T72 PolarHBondContact O-N 3.02Å
73T46.3Very low63.1Low76 Ų7679 Ų7947%0.46652%0.516SS..  trans-66.3122.2151.149.80000104.5V71 A75V71-T73 HydrophobicContact CG1-CG2 4.3Å; V71-T73 PolarHBondContact O-N 2.82Å; T73-A75 PolarHBondContact O-N 2.99Å
74P43.1Very low61.5Low122 Ų12277.6 Ų77.679%0.79250%0.504SS*.  trans-48.2120.7-179.619.2-29.9000106.4
75A44Very low60Low80 Ų8082.1 Ų82.166%0.66153%0.527SS*.  trans-40.9136.4179.600000107.6T73 A77T73-A75 PolarHBondContact O-N 2.99Å; A75-A77 PolarHBondContact O-N 2.61Å
76P48.6Very low58.4Low97 Ų9785.2 Ų85.263%0.6354%0.538SS*.  trans-46.8115.6178.119.8-30.8000105.3T78P76-T78 PolarHBondContact O-N 2.92Å
77A46.8Very low56.6Low92 Ų9289 Ų8976%0.7656%0.563SS**  trans-59.891.7-177.300000104.8A75 P79A75-A77 PolarHBondContact O-N 2.61Å; A77-P79 WeakPolarHBondContact O-CD 3.39Å
78T44Very low54.9Low114 Ų11495.8 Ų95.870%0.69960%0.598SS**  trans-49.7117.7158.645.70000101.8P76 P80P76-T78 PolarHBondContact O-N 2.92Å; T78-P80 VanDerWaalsContact O-N 3.08Å
79P47.3Very low53.3Low106 Ų106102.5 Ų102.569%0.68863%0.626SS**  trans-46.9131.3176.118.9-30000105.2A77A77-P79 WeakPolarHBondContact O-CD 3.39Å
80P53.4Low51.6Low103 Ų103106.6 Ų106.667%0.66965%0.653SS**  trans-44136.1-17619-32000106.8T78 V82T78-P80 VanDerWaalsContact O-N 3.08Å; P80-V82 PolarHBondContact O-N 3.25Å
81P54.9Low50.4Low106 Ų106110.1 Ų110.169%0.68867%0.672SS**  trans-44.1123.4-179.420.7-32.6000105.6I83P81-I83 WeakPolarHBondContact O-CG1 3.2Å; P81-I83 PolarHBondContact O-N 2.72Å
82V54.7Low50Low135 Ų135113 Ų11382%0.81868%0.684SS**  trans-59.497178.4175.90000103.4P80 P84P80-V82 PolarHBondContact O-N 3.25Å; V82-P84 WeakPolarHBondContact O-CD 3.38Å
83I55.8Low50Low113 Ų113112.6 Ų112.658%0.57968%0.684SS**  trans-58.6111.6177.1-65.4179.8000100.6P81 F86P81-I83 WeakPolarHBondContact O-CG1 3.2Å; P81-I83 PolarHBondContact O-N 2.72Å; I83-F86 HydrophobicContact CG2-CD2 3.42Å; I83-F86 VanDerWaalsContact CG2-CD2 3.42Å; I83-F86 HydrophobicContact CG2-CE2 3.81Å
84P50.8Low50.2Low86 Ų86112.4 Ų112.456%0.55870%0.698SS**  trans-50.1136.4172.423.7-32.4000104.8V82 F86V82-P84 WeakPolarHBondContact O-CD 3.38Å; P84-F86 HydrophobicContact CG-CE2 4.35Å; P84-F86 WeakPolarHBondContact O-CD2 3.42Å; P84-F86 PolarHBondContact O-N 2.58Å
85P54.7Low50.6Low128 Ų128112.4 Ų112.483%0.83169%0.69SS**  trans-53.596.9-175.721.7-32.4000107.3
86F52.9Low51.1Low142 Ų142116.2 Ų116.262%0.62369%0.694SS**  trans-60.7134.1169.9-87-87.6000102.5I83 P84 I88I83-F86 HydrophobicContact CG2-CD2 3.42Å; I83-F86 VanDerWaalsContact CG2-CD2 3.42Å; I83-F86 HydrophobicContact CG2-CE2 3.81Å; P84-F86 HydrophobicContact CG-CE2 4.35Å; P84-F86 WeakPolarHBondContact O-CD2 3.42Å; P84-F86 PolarHBondContact O-N 2.58Å; F86-I88 PolarHBondContact O-N 2.62Å
87P51.7Low51.8Low83 Ų83117.5 Ų117.554%0.53970%0.695SS.*  trans-47125.8174.120.2-30.8000106F89P87-F89 HydrophobicContact CB-CE2 4.39Å; P87-F89 HydrophobicContact CB-CZ 4.48Å; P87-F89 HydrophobicContact CG-CD2 4.14Å; P87-F89 HydrophobicContact CG-CE2 3.52Å; P87-F89 HydrophobicContact CG-CZ 3.74Å; P87-F89 VanDerWaalsContact O-CD2 3.24Å; P87-F89 WeakPolarHBondContact O-CD2 3.24Å; P87-F89 PolarHBondContact O-N 2.98Å
88I50.9Low53Low166 Ų166116.9 Ų116.985%0.85168%0.677SS**  trans-63.582.2-179.4-54.7162.3000104.5F86F86-I88 PolarHBondContact O-N 2.62Å
89F53.8Low54.6Low155 Ų155118.8 Ų118.868%0.6867%0.672SS**  trans-62130.6169.6-72.4-70.6000104.1P87P87-F89 HydrophobicContact CB-CE2 4.39Å; P87-F89 HydrophobicContact CB-CZ 4.48Å; P87-F89 HydrophobicContact CG-CD2 4.14Å; P87-F89 HydrophobicContact CG-CE2 3.52Å; P87-F89 HydrophobicContact CG-CZ 3.74Å; P87-F89 VanDerWaalsContact O-CD2 3.24Å; P87-F89 WeakPolarHBondContact O-CD2 3.24Å; P87-F89 PolarHBondContact O-N 2.98Å
90P45.8Very low56.2Low100 Ų100113.8 Ų113.865%0.64964%0.64SS**  trans-48.5134.8-177.320.6-32.6000108.2I92P90-I92 PolarHBondContact O-N 3.3Å
91P47.6Very low57.5Low116 Ų116114.5 Ų114.575%0.75364%0.638SS**  trans-53.1110.6-178.622.1-32.7000107.3P93P91-P93 WeakPolarHBondContact O-CD 3.25Å; P91-P93 VanDerWaalsContact O-N 3.07Å
92I53.8Low58.7Low114 Ų114116.5 Ų116.559%0.58564%0.642SS**  trans-65.9113178.5-38.5163.2000104.2P90 G94 L95P90-I92 PolarHBondContact O-N 3.3Å; I92-G94 PolarHBondContact O-N 3.11Å; I92-L95 HydrophobicContact CB-CB 4.45Å; I92-L95 HydrophobicContact CD1-CD1 3.67Å; I92-L95 PolarHBondContact O-N 3.44Å
93P48.1Very low59.8Low130 Ų130113.4 Ų113.484%0.84462%0.621SS**THydrogen-bonded Turntrans-58.3115.5-177.1-21.633.4000108.6P91P91-P93 WeakPolarHBondContact O-CD 3.25Å; P91-P93 VanDerWaalsContact O-N 3.07Å
94G52Low61.1Low73 Ų73111.5 Ų111.575%0.75361%0.612SS**THydrogen-bonded Turntrans110-5.1176.400000116.9I92 Q96I92-G94 PolarHBondContact O-N 3.11Å; G94-Q96 VanDerWaalsContact C-N 3.25Å; G94-Q96 PolarHBondContact O-N 2.84Å; G94-Q96 VanDerWaalsContact O-N 3.08Å
95L50.3Low62.7Low122 Ų122109.6 Ų109.664%0.63960%0.596SS**  trans-88.661.8176.1-133.5156.4000111I92 L97I92-L95 HydrophobicContact CB-CB 4.45Å; I92-L95 HydrophobicContact CD1-CD1 3.67Å; I92-L95 PolarHBondContact O-N 3.44Å; L95-L97 PolarHBondContact O-N 2.86Å
96Q55.7Low63.9Low159 Ų159108.8 Ų108.874%0.74359%0.585SS**  trans-82.3107.2170.6-57.4-73.7-94.100107.4G94 Q98G94-Q96 VanDerWaalsContact C-N 3.25Å; G94-Q96 PolarHBondContact O-N 2.84Å; G94-Q96 VanDerWaalsContact O-N 3.08Å; Q96-Q98 PolarHBondContact O-N 3.48Å
97L62.1Low65.3Low125 Ų125104.4 Ų104.465%0.65457%0.571SS**  trans-70.486.6173.3-168.672000108.4L95 L118L95-L97 PolarHBondContact O-N 2.86Å; L97-L118 HydrophobicContact CD1-CD2 4.08Å; L97-L118 HydrophobicContact CD2-CD2 4.28Å; L97-L118 HydrophobicContact CG-CD2 3.99Å
98Q72.5Confident66.7Low78 Ų78100.6 Ų100.636%0.36455%0.547SS..  trans-87.5136.3-176-177.767.3-48.300110.5Q96 C119Q96-Q98 PolarHBondContact O-N 3.48Å; Q98-C119 HydrophobicContact CB-CB 4.13Å; Q98-C119 HydrophobicContact CG-CB 4.49Å; Q98-C119 VanDerWaalsContact O-CB 3.25Å; Q98-C119 WeakPolarHBondContact O-CB 3.2Å; Q98-C119 PolarHBondContact O-N 3.38Å; Q98-C119 PolarHBondContact O-SG 3Å
99Y78.7Confident68.2Low154 Ų15496.3 Ų96.360%0.60453%0.529SS*.BIsolated β-bridgetrans-102.9151.4175.719.6-94.1000110.9F117Y99-F117 CarbonylContact C-O 3.47Å; Y99-F117 WeakPolarHBondContact CA-O 3.12Å; Y99-F117 WeakPolarHBondContact CB-O 3.45Å
100C80.9Confident69.6Low2 Ų291 Ų911%0.01452%0.519CS..  trans-117.2128.7-178.836.20000109.3C114 F117 L118C100-C114 HydrophobicContact CB-CB 3.5Å; C100-C114 WeakPolarHBondContact CB-SG 3Å; C100-C114 WeakPolarHBondContact SG-CA 2.99Å; C100-C114 WeakPolarHBondContact SG-CB 2.87Å; C100-C114 CovalentContact SG-SG 1.98Å; C100-C114 PolarHBondContact SG-SG 3.36Å; C100-F117 PolarHBondContact N-O 2.94Å; C100-F117 PolarHBondContact SG-O 3.36Å; C100-F117 VanDerWaalsContact SG-O 3.4Å; C100-L118 PolarHBondContact SG-N 2.03Å
101L79.8Confident71.5Confident118 Ų11892.2 Ų92.262%0.61852%0.516SS*.G310 helixtrans-79.7145179.1-75.678.1000109.9N103 N104L101-N103 PolarHBondContact O-N 3.45Å; L101-N104 WeakPolarHBondContact O-CB 3.3Å; L101-N104 PolarHBondContact O-N 3.49Å
102D79.2Confident73.2Confident147 Ų14789.2 Ų89.279%0.78649%0.492SS*.G310 helixtrans54.727.8174.5-56.8-61.8000115N104D102-N104 PolarHBondContact O-N 3.4Å
103N79.1Confident74.8Confident71 Ų7183.9 Ų83.938%0.3846%0.464SS..G310 helixtrans55.125.5-171.5-72.2-80.7000114.4L101 H105 C114L101-N103 PolarHBondContact O-N 3.45Å; N103-H105 PolarHBondContact O-N 2.83Å; N103-C114 VanDerWaalsContact CA-SG 3.53Å
104N82.3Confident76.6Confident73 Ų7377.9 Ų77.939%0.3943%0.426SS..  trans-79.1114-177.5-170.4-23.9000111.3L101 D102 N106 S107L101-N104 WeakPolarHBondContact O-CB 3.3Å; L101-N104 PolarHBondContact O-N 3.49Å; D102-N104 PolarHBondContact O-N 3.4Å; N104-N106 VanDerWaalsContact C-N 3.27Å; N104-N106 PolarHBondContact O-N 2.98Å; N104-N106 WeakPolarHBondContact OD1-CB 3.22Å; N104-N106 PolarHBondContact OD1-N 1.98Å; N104-S107 WeakPolarHBondContact O-CB 3.1Å; N104-S107 PolarHBondContact O-N 3.05Å; N104-S107 PolarHBondContact O-OG 3.34Å
105H84.5Confident77.9Confident46 Ų4676.5 Ų76.521%0.21340%0.403CS..G310 helixtrans-70.2-21-179.3-48.4-70.9000113.5N103 S107 C108 I113 C114 A140 K142N103-H105 PolarHBondContact O-N 2.83Å; H105-S107 PolarHBondContact O-N 3.07Å; H105-C108 PolarHBondContact O-N 3.17Å; H105-I113 HydrophobicContact CB-CB 4.49Å; H105-C114 PolarHBondContact CE1-O 2.78Å; H105-C114 WeakPolarHBondContact ND1-CB 3.43Å; H105-C114 PolarHBondContact ND1-N 2.98Å; H105-C114 VanDerWaalsContact ND1-N 3.15Å; H105-C114 PolarHBondContact ND1-O 3.08Å; H105-C114 VanDerWaalsContact ND1-O 3.07Å; H105-A140 HydrophobicContact CB-CB 4.18Å; H105-A140 WeakPolarHBondContact CD2-CB 3.46Å; H105-A140 VanDerWaalsContact CG-CB 3.44Å; H105-A140 WeakPolarHBondContact NE2-CB 3.47Å; H105-K142 WeakPolarHBondContact O-CE 3.34Å; H105-K142 PolarHBondContact O-NZ 3.07Å
106N80.2Confident79.4Confident111 Ų11179 Ų7959%0.59441%0.409SS*.G310 helixtrans-72.3-18.7175.2-65.8-35.3000112.4N104 C108N104-N106 VanDerWaalsContact C-N 3.27Å; N104-N106 PolarHBondContact O-N 2.98Å; N104-N106 WeakPolarHBondContact OD1-CB 3.22Å; N104-N106 PolarHBondContact OD1-N 1.98Å; N106-C108 VanDerWaalsContact C-N 3.26Å; N106-C108 PolarHBondContact O-N 2.89Å
107S82.3Confident80.7Confident49 Ų4977 Ų7734%0.34340%0.397SS..G310 helixtrans-69.6-23.4175.7-57.90000113.1N104 H105N104-S107 WeakPolarHBondContact O-CB 3.1Å; N104-S107 PolarHBondContact O-N 3.05Å; N104-S107 PolarHBondContact O-OG 3.34Å; H105-S107 PolarHBondContact O-N 3.07Å
108C82.1Confident81.6Confident3 Ų373.7 Ų73.72%0.0238%0.38CS..SBendtrans-82130.4177.4-58.60000110.6H105 N106 Q112 C119 K142H105-C108 PolarHBondContact O-N 3.17Å; N106-C108 VanDerWaalsContact C-N 3.26Å; N106-C108 PolarHBondContact O-N 2.89Å; C108-Q112 HydrophobicContact CB-CB 3.62Å; C108-C119 WeakPolarHBondContact CA-SG 3.37Å; C108-C119 HydrophobicContact CB-CB 3.65Å; C108-C119 WeakPolarHBondContact CB-SG 3.31Å; C108-C119 WeakPolarHBondContact SG-CA 3.49Å; C108-C119 WeakPolarHBondContact SG-CB 3.35Å; C108-C119 CovalentContact SG-SG 2.03Å; C108-C119 PolarHBondContact SG-SG 2.89Å; C108-K142 PolarHBondContact O-NZ 3.29Å
109P80.9Confident82.1Confident76 Ų7670.6 Ų70.649%0.49437%0.367SS..  trans-73.1148.1178.529-34.1000112Q112P109-Q112 WeakPolarHBondContact O-CG 2.99Å; P109-Q112 PolarHBondContact O-OE1 3.23Å
110G83.8Confident82.3Confident45 Ų4567.5 Ų67.546%0.46436%0.357SS..SBendtrans60.5-143.4175.600000113.9Q112 K142 F143G110-Q112 PolarHBondContact O-N 2.83Å; G110-K142 WeakPolarHBondContact O-CE 3.43Å; G110-K142 PolarHBondContact O-NZ 3.06Å; G110-F143 WeakPolarHBondContact O-CE2 3.12Å
111Q84.8Confident82.4Confident125 Ų12570.9 Ų70.958%0.58438%0.379SS*.SBendtrans-82.953-175.2-60.2-170.22000112.1A122 W147Q111-A122 PolarHBondContact O-N 3.21Å; Q111-W147 HydrophobicContact CB-CE3 4.4Å; Q111-W147 HydrophobicContact CB-CH2 3.91Å; Q111-W147 HydrophobicContact CB-CZ3 3.52Å; Q111-W147 HydrophobicContact CG-CH2 3.52Å; Q111-W147 HydrophobicContact CG-CZ3 3.67Å
112Q85.3Confident82.6Confident52 Ų5265.4 Ų65.424%0.24335%0.351CS..EExtended strand (participates in β ladder)trans-126146.8-178.6-66.9179.1-14.600110.8C108 P109 G110 C119 F120 K142C108-Q112 HydrophobicContact CB-CB 3.62Å; P109-Q112 WeakPolarHBondContact O-CG 2.99Å; P109-Q112 PolarHBondContact O-OE1 3.23Å; G110-Q112 PolarHBondContact O-N 2.83Å; Q112-C119 HydrophobicContact CB-CB 4.34Å; Q112-F120 CarbonylContact C-O 3.56Å; Q112-F120 WeakPolarHBondContact CA-O 3.19Å; Q112-F120 WeakPolarHBondContact CB-O 3.33Å; Q112-K142 PolarHBondContact O-NZ 3.28Å
113I86.3Confident82.8Confident2 Ų263.8 Ų63.81%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-123148.9172.669.9-179.7000110.5H105 V115 F120 A122 A140 W147 A149H105-I113 HydrophobicContact CB-CB 4.49Å; I113-V115 HydrophobicContact CD1-CG2 4.17Å; I113-V115 HydrophobicContact CG1-CG2 3.84Å; I113-V115 PolarHBondContact O-N 2.92Å; I113-F120 PolarHBondContact N-O 3.43Å; I113-F120 PolarHBondContact O-N 3.09Å; I113-A122 HydrophobicContact CB-CB 4.19Å; I113-A122 HydrophobicContact CD1-CB 4.08Å; I113-A122 HydrophobicContact CG1-CB 3.86Å; I113-A122 HydrophobicContact CG2-CB 3.61Å; I113-A140 HydrophobicContact CB-CB 4.19Å; I113-A140 HydrophobicContact CD1-CB 4.33Å; I113-A140 HydrophobicContact CG2-CB 3.95Å; I113-W147 HydrophobicContact CG2-CB 3.52Å; I113-W147 HydrophobicContact CG2-CG 4.27Å; I113-A149 HydrophobicContact CD1-CB 3.99Å; I113-A149 VanDerWaalsContact CD1-N 3.33Å; I113-A149 HydrophobicContact CG1-CB 4.39Å
114C85.2Confident83.1Confident4 Ų463.4 Ų63.43%0.02734%0.34CS..EExtended strand (participates in β ladder)trans-71.7120.6172.7-168.10000111.6C100 N103 H105 L118C100-C114 HydrophobicContact CB-CB 3.5Å; C100-C114 WeakPolarHBondContact CB-SG 3Å; C100-C114 WeakPolarHBondContact SG-CA 2.99Å; C100-C114 WeakPolarHBondContact SG-CB 2.87Å; C100-C114 CovalentContact SG-SG 1.98Å; C100-C114 PolarHBondContact SG-SG 3.36Å; N103-C114 VanDerWaalsContact CA-SG 3.53Å; H105-C114 PolarHBondContact CE1-O 2.78Å; H105-C114 WeakPolarHBondContact ND1-CB 3.43Å; H105-C114 PolarHBondContact ND1-N 2.98Å; H105-C114 VanDerWaalsContact ND1-N 3.15Å; H105-C114 PolarHBondContact ND1-O 3.08Å; H105-C114 VanDerWaalsContact ND1-O 3.07Å; C114-L118 CarbonylContact C-O 3.6Å; C114-L118 WeakPolarHBondContact CA-O 3.44Å
115V81.2Confident83Confident45 Ų4562 Ų6227%0.27334%0.339SS..EExtended strand (participates in β ladder)trans-133.4122170.8-165.40000107.4I113 F117 L118 F120 A149I113-V115 HydrophobicContact CD1-CG2 4.17Å; I113-V115 HydrophobicContact CG1-CG2 3.84Å; I113-V115 PolarHBondContact O-N 2.92Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 2.88Å; V115-L118 PolarHBondContact N-O 3.2Å; V115-L118 PolarHBondContact O-N 2.98Å; V115-F120 HydrophobicContact CB-CD2 3.86Å; V115-F120 HydrophobicContact CB-CE2 4.35Å; V115-F120 HydrophobicContact CG2-CD2 4.19Å; V115-A149 HydrophobicContact CG2-CB 4.14Å
116F81.5Confident82.8Confident174 Ų17462.9 Ų62.976%0.76336%0.36SS*.THydrogen-bonded Turntrans49.648.6-176.1-67.8-74.9000113L118F116-L118 PolarHBondContact O-N 3.42Å; F116-L118 VanDerWaalsContact O-N 3.11Å
117F81.7Confident83.1Confident116 Ų11663.1 Ų63.151%0.50936%0.356SS..THydrogen-bonded Turntrans63.77.8-178.3-54.7-84.4000116Y99 C100 V115Y99-F117 CarbonylContact C-O 3.47Å; Y99-F117 WeakPolarHBondContact CA-O 3.12Å; Y99-F117 WeakPolarHBondContact CB-O 3.45Å; C100-F117 PolarHBondContact N-O 2.94Å; C100-F117 PolarHBondContact SG-O 3.36Å; C100-F117 VanDerWaalsContact SG-O 3.4Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 2.88Å
118L81Confident83.4Confident56 Ų5664.7 Ų64.729%0.29337%0.367SS..EExtended strand (participates in β ladder)trans-114.2139.3178.3-71.2161.1000110.7L97 C100 C114 V115 F116 F120L97-L118 HydrophobicContact CD1-CD2 4.08Å; L97-L118 HydrophobicContact CD2-CD2 4.28Å; L97-L118 HydrophobicContact CG-CD2 3.99Å; C100-L118 PolarHBondContact SG-N 2.03Å; C114-L118 CarbonylContact C-O 3.6Å; C114-L118 WeakPolarHBondContact CA-O 3.44Å; V115-L118 PolarHBondContact N-O 3.2Å; V115-L118 PolarHBondContact O-N 2.98Å; F116-L118 PolarHBondContact O-N 3.42Å; F116-L118 VanDerWaalsContact O-N 3.11Å; L118-F120 HydrophobicContact CB-CD2 4.02Å; L118-F120 HydrophobicContact CB-CE2 3.51Å; L118-F120 HydrophobicContact CB-CZ 4.2Å; L118-F120 HydrophobicContact CD1-CE2 4.18Å; L118-F120 HydrophobicContact CD1-CZ 4.26Å; L118-F120 PolarHBondContact O-N 3.15Å
119C82.7Confident83.7Confident14 Ų1465 Ų6510%0.09537%0.369CS..EExtended strand (participates in β ladder)trans-82.4107.4175-66.60000110.1Q98 C108 Q112Q98-C119 HydrophobicContact CB-CB 4.13Å; Q98-C119 HydrophobicContact CG-CB 4.49Å; Q98-C119 VanDerWaalsContact O-CB 3.25Å; Q98-C119 WeakPolarHBondContact O-CB 3.2Å; Q98-C119 PolarHBondContact O-N 3.38Å; Q98-C119 PolarHBondContact O-SG 3Å; C108-C119 WeakPolarHBondContact CA-SG 3.37Å; C108-C119 HydrophobicContact CB-CB 3.65Å; C108-C119 WeakPolarHBondContact CB-SG 3.31Å; C108-C119 WeakPolarHBondContact SG-CA 3.49Å; C108-C119 WeakPolarHBondContact SG-CB 3.35Å; C108-C119 CovalentContact SG-SG 2.03Å; C108-C119 PolarHBondContact SG-SG 2.89Å; Q112-C119 HydrophobicContact CB-CB 4.34Å
120F83.9Confident83.9Confident89 Ų8967.6 Ų67.639%0.3938%0.384SS..EExtended strand (participates in β ladder)trans-101.2144.9175.2-75.6-82.9000111Q112 I113 V115 L118 A122Q112-F120 CarbonylContact C-O 3.56Å; Q112-F120 WeakPolarHBondContact CA-O 3.19Å; Q112-F120 WeakPolarHBondContact CB-O 3.33Å; I113-F120 PolarHBondContact N-O 3.43Å; I113-F120 PolarHBondContact O-N 3.09Å; V115-F120 HydrophobicContact CB-CD2 3.86Å; V115-F120 HydrophobicContact CB-CE2 4.35Å; V115-F120 HydrophobicContact CG2-CD2 4.19Å; L118-F120 HydrophobicContact CB-CD2 4.02Å; L118-F120 HydrophobicContact CB-CE2 3.51Å; L118-F120 HydrophobicContact CB-CZ 4.2Å; L118-F120 HydrophobicContact CD1-CE2 4.18Å; L118-F120 HydrophobicContact CD1-CZ 4.26Å; L118-F120 PolarHBondContact O-N 3.15Å; F120-A122 PolarHBondContact O-N 3.4Å
121P82.7Confident83.9Confident72 Ų7268.9 Ų68.947%0.46838%0.38SS..EExtended strand (participates in β ladder)trans-57.7137.1170.227-33.8000109.5A150P121-A150 WeakPolarHBondContact O-CB 3.19Å; P121-A150 PolarHBondContact O-N 3.47Å
122A84.6Confident83.6Confident4 Ų465.4 Ų65.43%0.03337%0.373CS..EExtended strand (participates in β ladder)trans-131.5155.4-177.400000109.9Q111 I113 F120 W147 R148Q111-A122 PolarHBondContact O-N 3.21Å; I113-A122 HydrophobicContact CB-CB 4.19Å; I113-A122 HydrophobicContact CD1-CB 4.08Å; I113-A122 HydrophobicContact CG1-CB 3.86Å; I113-A122 HydrophobicContact CG2-CB 3.61Å; F120-A122 PolarHBondContact O-N 3.4Å; A122-W147 HydrophobicContact CB-CB 4.09Å; A122-W147 HydrophobicContact CB-CE3 3.96Å; A122-W147 WeakPolarHBondContact O-CZ3 3.48Å; A122-R148 CarbonylContact C-O 3.59Å; A122-R148 WeakPolarHBondContact CA-O 3.46Å; A122-R148 VanDerWaalsContact CB-O 3.28Å; A122-R148 WeakPolarHBondContact CB-O 3.42Å
123Q82.9Confident83.4Confident112 Ų11268.4 Ų68.452%0.52340%0.4SS..EExtended strand (participates in β ladder)trans-116.3144.5175.4-69.3174.7-82.200109.9W147 R148 A150Q123-W147 WeakPolarHBondContact O-CA 3.39Å; Q123-R148 PolarHBondContact N-O 2.76Å; Q123-R148 PolarHBondContact O-N 3.42Å; Q123-A150 HydrophobicContact CG-CB 4.38Å
124P86.4Confident83.3Confident63 Ų6371.7 Ų71.741%0.40942%0.415SS..EExtended strand (participates in β ladder)trans-68.4134.3175.629.7-32.3000109.1G126 W147P124-G126 VanDerWaalsContact C-N 3.25Å; P124-W147 HydrophobicContact CB-CH2 4.3Å; P124-W147 HydrophobicContact CB-CZ2 4.35Å; P124-W147 HydrophobicContact CB-CZ3 4.39Å; P124-W147 HydrophobicContact CG-CH2 4.3Å; P124-W147 HydrophobicContact CG-CZ3 4.33Å
125A79.5Confident83.3Confident44 Ų4472.2 Ų72.236%0.36442%0.418SS..EExtended strand (participates in β ladder)trans-82.2-3.7176.500000112.7K127 C146A125-K127 VanDerWaalsContact C-N 3.32Å; A125-C146 HydrophobicContact CB-CB 4.35Å; A125-C146 WeakPolarHBondContact CB-O 3.5Å; A125-C146 PolarHBondContact N-O 3.35Å
126G80.7Confident83.3Confident65 Ų6571.9 Ų71.967%0.6742%0.424SS*.EExtended strand (participates in β ladder)trans74.520.1-178.300000114.2P124P124-G126 VanDerWaalsContact C-N 3.25Å
127K84.8Confident83.1Confident115 Ų11568.8 Ų68.850%0.543%0.43SS..EExtended strand (participates in β ladder)trans-116.3122.9174.8-170.1-173.4-176.1-175.50108.7A125 E134 E145 C146A125-K127 VanDerWaalsContact C-N 3.32Å; K127-E134 WeakPolarHBondContact CE-O 3.25Å; K127-E134 PolarHBondContact NZ-O 2.98Å; K127-E145 CarbonylContact O-C 3.53Å; K127-E145 WeakPolarHBondContact O-CA 3.38Å; K127-C146 HydrophobicContact CB-CB 4.32Å; K127-C146 PolarHBondContact O-N 2.79Å
128S89.5Confident82.7Confident83 Ų8366.7 Ų66.758%0.5844%0.441SS*.EExtended strand (participates in β ladder)trans-74.3147.7174-47.30000111.1G144 E145S128-G144 CarbonylContact C-O 3.51Å; S128-G144 WeakPolarHBondContact CA-O 3.36Å; S128-G144 WeakPolarHBondContact CB-O 3.42Å; S128-E145 WeakPolarHBondContact CA-OE1 3.47Å; S128-E145 PolarHBondContact N-OE1 3.08Å; S128-E145 PolarHBondContact OG-OE1 3Å
129C87.9Confident83Confident9 Ų966.5 Ų66.56%0.06144%0.439CS..  trans-150.3155.8-177.1600000111.2E134 C135 C141 G144 E145 C146C129-E134 WeakPolarHBondContact CA-OE2 3.28Å; C129-E134 HydrophobicContact CB-CB 3.98Å; C129-C135 VanDerWaalsContact SG-SG 3.66Å; C129-C141 HydrophobicContact CB-CB 3.91Å; C129-C141 WeakPolarHBondContact CB-SG 3.18Å; C129-C141 PolarHBondContact O-SG 3.47Å; C129-C141 WeakPolarHBondContact SG-CA 3.48Å; C129-C141 WeakPolarHBondContact SG-CB 3.46Å; C129-C141 CovalentContact SG-SG 2.03Å; C129-C141 PolarHBondContact SG-SG 2.88Å; C129-G144 PolarHBondContact N-O 3.3Å; C129-G144 CarbonylContact O-C 3.4Å; C129-G144 WeakPolarHBondContact O-CA 3.5Å; C129-E145 PolarHBondContact SG-O 3.09Å; C129-C146 VanDerWaalsContact CB-SG 3.59Å; C129-C146 PolarHBondContact SG-N 2.75Å
130T86.6Confident83.1Confident130 Ų13065.8 Ų65.880%0.79844%0.435SS*.SBendtrans-106.3-29.8168.9-46.20000111.5E134T130-E134 WeakPolarHBondContact CA-OE1 3.44Å; T130-E134 WeakPolarHBondContact CB-OE1 3.04Å; T130-E134 PolarHBondContact N-OE1 3.29Å; T130-E134 PolarHBondContact N-OE2 3.32Å
131N83.8Confident83.3Confident73 Ų7362.7 Ų62.739%0.3942%0.423SS..SBendtrans-135.5163.1178.261.871.1000112.1S133 E134 C141N131-S133 PolarHBondContact O-N 3.06Å; N131-S133 WeakPolarHBondContact OD1-CA 3.47Å; N131-S133 WeakPolarHBondContact OD1-CB 3.47Å; N131-S133 PolarHBondContact OD1-N 3.23Å; N131-S133 VanDerWaalsContact OD1-N 3.09Å; N131-S133 PolarHBondContact OD1-OG 2.86Å; N131-E134 PolarHBondContact N-OE1 3.41Å; N131-E134 VanDerWaalsContact N-OE1 3.08Å; N131-E134 PolarHBondContact ND2-OE1 3.39Å; N131-E134 PolarHBondContact O-N 2.94Å; N131-E134 PolarHBondContact OD1-N 2.86Å; N131-C141 VanDerWaalsContact C-CB 3.41Å; N131-C141 WeakPolarHBondContact O-CB 3.05Å
132A77.5Confident83.5Confident52 Ų5259.4 Ų59.443%0.4340%0.402SS..G310 helixtrans-62.7-27.1-178.600000113.5E134 C135A132-E134 PolarHBondContact O-N 3.45Å; A132-C135 WeakPolarHBondContact O-CB 3.04Å; A132-C135 PolarHBondContact O-N 2.91Å; A132-C135 VanDerWaalsContact O-N 3.07Å
133S80.6Confident83.5Confident115 Ų11565.9 Ų65.980%0.80443%0.429SS*.G310 helixtrans-67.8-19.8-179.5-39.50000113.4N131 C135N131-S133 PolarHBondContact O-N 3.06Å; N131-S133 WeakPolarHBondContact OD1-CA 3.47Å; N131-S133 WeakPolarHBondContact OD1-CB 3.47Å; N131-S133 PolarHBondContact OD1-N 3.23Å; N131-S133 VanDerWaalsContact OD1-N 3.09Å; N131-S133 PolarHBondContact OD1-OG 2.86Å; S133-C135 VanDerWaalsContact C-N 3.27Å
134E84.8Confident83.7Confident70 Ų7062.3 Ų62.333%0.32742%0.423SS..G310 helixtrans-77.6-15.1174.1-67.7171-113.700112.6K127 C129 T130 N131 A132K127-E134 WeakPolarHBondContact CE-O 3.25Å; K127-E134 PolarHBondContact NZ-O 2.98Å; C129-E134 WeakPolarHBondContact CA-OE2 3.28Å; C129-E134 HydrophobicContact CB-CB 3.98Å; T130-E134 WeakPolarHBondContact CA-OE1 3.44Å; T130-E134 WeakPolarHBondContact CB-OE1 3.04Å; T130-E134 PolarHBondContact N-OE1 3.29Å; T130-E134 PolarHBondContact N-OE2 3.32Å; N131-E134 PolarHBondContact N-OE1 3.41Å; N131-E134 VanDerWaalsContact N-OE1 3.08Å; N131-E134 PolarHBondContact ND2-OE1 3.39Å; N131-E134 PolarHBondContact O-N 2.94Å; N131-E134 PolarHBondContact OD1-N 2.86Å; A132-E134 PolarHBondContact O-N 3.45Å
135C84.3Confident83.8Confident15 Ų1562.2 Ų62.210%0.10142%0.417CS..SBendtrans-95160.3179.8-52.60000111.6C129 A132 S133 Q139 C146C129-C135 VanDerWaalsContact SG-SG 3.66Å; A132-C135 WeakPolarHBondContact O-CB 3.04Å; A132-C135 PolarHBondContact O-N 2.91Å; A132-C135 VanDerWaalsContact O-N 3.07Å; S133-C135 VanDerWaalsContact C-N 3.27Å; C135-Q139 HydrophobicContact CB-CB 3.62Å; C135-C146 WeakPolarHBondContact CA-SG 3.48Å; C135-C146 HydrophobicContact CB-CB 3.79Å; C135-C146 WeakPolarHBondContact CB-SG 3.46Å; C135-C146 VanDerWaalsContact SG-CA 3.51Å; C135-C146 WeakPolarHBondContact SG-CB 3.38Å; C135-C146 CovalentContact SG-SG 2.04Å; C135-C146 PolarHBondContact SG-SG 2.7Å
136G81.1Confident84.3Confident38 Ų3860.1 Ų60.139%0.39240%0.4SS..PPolyproline II helixtrans-69.1171.117700000113G138 Q139G136-G138 PolarHBondContact O-N 2.61Å; G136-Q139 VanDerWaalsContact O-CB 3.25Å; G136-Q139 WeakPolarHBondContact O-CB 3.31Å; G136-Q139 WeakPolarHBondContact O-CG 3.19Å; G136-Q139 PolarHBondContact O-N 2.79Å
137A77.4Confident84.7Confident109 Ų10957.9 Ų57.990%0.90137%0.371SS*.THydrogen-bonded Turntrans-56.5134.2175.300000111.4Q139A137-Q139 PolarHBondContact O-N 2.81Å
138G74.8Confident84.8Confident72 Ų7259 Ų5974%0.74237%0.372SS*.THydrogen-bonded Turntrans74.710-177.200000114.9G136G136-G138 PolarHBondContact O-N 2.61Å
139Q85.8Confident84.4Confident52 Ų5256.4 Ų56.424%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-107.5157.2175.2-53.3-175.1-18.800111C135 G136 A137 W147 R148C135-Q139 HydrophobicContact CB-CB 3.62Å; G136-Q139 VanDerWaalsContact O-CB 3.25Å; G136-Q139 WeakPolarHBondContact O-CB 3.31Å; G136-Q139 WeakPolarHBondContact O-CG 3.19Å; G136-Q139 PolarHBondContact O-N 2.79Å; A137-Q139 PolarHBondContact O-N 2.81Å; Q139-W147 CarbonylContact C-O 3.53Å; Q139-W147 WeakPolarHBondContact CA-O 2.93Å; Q139-W147 WeakPolarHBondContact CB-O 3.48Å; Q139-R148 HydrophobicContact CG-CB 4.02Å
140A85.6Confident83.5Confident0 Ų057.5 Ų57.50%037%0.366CS..EExtended strand (participates in β ladder)trans-130.7135.5-177.800000110.4H105 I113 K142 W147H105-A140 HydrophobicContact CB-CB 4.18Å; H105-A140 WeakPolarHBondContact CD2-CB 3.46Å; H105-A140 VanDerWaalsContact CG-CB 3.44Å; H105-A140 WeakPolarHBondContact NE2-CB 3.47Å; I113-A140 HydrophobicContact CB-CB 4.19Å; I113-A140 HydrophobicContact CD1-CB 4.33Å; I113-A140 HydrophobicContact CG2-CB 3.95Å; A140-K142 PolarHBondContact O-N 2.78Å; A140-W147 PolarHBondContact N-O 3.28Å; A140-W147 PolarHBondContact O-N 3.46Å
141C87.3Confident82.1Confident23 Ų2356.1 Ų56.116%0.15536%0.357CS..EExtended strand (participates in β ladder)trans-80120.4172.8-169.50000110.5C129 N131C129-C141 HydrophobicContact CB-CB 3.91Å; C129-C141 WeakPolarHBondContact CB-SG 3.18Å; C129-C141 PolarHBondContact O-SG 3.47Å; C129-C141 WeakPolarHBondContact SG-CA 3.48Å; C129-C141 WeakPolarHBondContact SG-CB 3.46Å; C129-C141 CovalentContact SG-SG 2.03Å; C129-C141 PolarHBondContact SG-SG 2.88Å; N131-C141 VanDerWaalsContact C-CB 3.41Å; N131-C141 WeakPolarHBondContact O-CB 3.05Å
142K86.6Confident80.6Confident4 Ų460.4 Ų60.42%0.01738%0.378CS..EExtended strand (participates in β ladder)trans-150.5140.4-179.5-176.8177.7-179.91610110.7H105 C108 G110 Q112 A140 G144 E145 W147H105-K142 WeakPolarHBondContact O-CE 3.34Å; H105-K142 PolarHBondContact O-NZ 3.07Å; C108-K142 PolarHBondContact O-NZ 3.29Å; G110-K142 WeakPolarHBondContact O-CE 3.43Å; G110-K142 PolarHBondContact O-NZ 3.06Å; Q112-K142 PolarHBondContact O-NZ 3.28Å; A140-K142 PolarHBondContact O-N 2.78Å; K142-G144 PolarHBondContact O-N 3.27Å; K142-G144 VanDerWaalsContact O-N 3.1Å; K142-E145 PolarHBondContact N-O 2.04Å; K142-E145 PolarHBondContact O-N 2.74Å; K142-W147 HydrophobicContact CB-CG 4.3Å; K142-W147 VanDerWaalsContact O-CD1 3.25Å; K142-W147 PolarHBondContact O-NE1 3.46Å
143F86.5Confident79Confident139 Ų13964.9 Ų64.961%0.6139%0.388SS*.THydrogen-bonded Turntrans52.828-173.3-52.7-59.3000114.2G110 E145 W147G110-F143 WeakPolarHBondContact O-CE2 3.12Å; F143-E145 VanDerWaalsContact C-N 3.27Å; F143-E145 PolarHBondContact O-N 3.26Å; F143-W147 AromaticContact CD2-CZ2 3.96Å; F143-W147 HydrophobicContact CD2-CZ2 3.96Å
144G86Confident77.2Confident38 Ų3863.4 Ų63.439%0.39239%0.391SS..THydrogen-bonded Turntrans76.78.7-177.500000114.9S128 C129 K142S128-G144 CarbonylContact C-O 3.51Å; S128-G144 WeakPolarHBondContact CA-O 3.36Å; S128-G144 WeakPolarHBondContact CB-O 3.42Å; C129-G144 PolarHBondContact N-O 3.3Å; C129-G144 CarbonylContact O-C 3.4Å; C129-G144 WeakPolarHBondContact O-CA 3.5Å; K142-G144 PolarHBondContact O-N 3.27Å; K142-G144 VanDerWaalsContact O-N 3.1Å
145E89.1Confident75.4Confident61 Ų6166.5 Ų66.529%0.28541%0.407SS..EExtended strand (participates in β ladder)trans-129150.3-178.6-65-98.896.500109.9K127 S128 C129 K142 F143 W147K127-E145 CarbonylContact O-C 3.53Å; K127-E145 WeakPolarHBondContact O-CA 3.38Å; S128-E145 WeakPolarHBondContact CA-OE1 3.47Å; S128-E145 PolarHBondContact N-OE1 3.08Å; S128-E145 PolarHBondContact OG-OE1 3Å; C129-E145 PolarHBondContact SG-O 3.09Å; K142-E145 PolarHBondContact N-O 2.04Å; K142-E145 PolarHBondContact O-N 2.74Å; F143-E145 VanDerWaalsContact C-N 3.27Å; F143-E145 PolarHBondContact O-N 3.26Å; E145-W147 PolarHBondContact O-NE1 2.9Å
146C88.9Confident73.6Confident0 Ų069.5 Ų69.50%043%0.433CS..EExtended strand (participates in β ladder)trans-78.6126.1174.5-69.80000109.7A125 K127 C129 C135A125-C146 HydrophobicContact CB-CB 4.35Å; A125-C146 WeakPolarHBondContact CB-O 3.5Å; A125-C146 PolarHBondContact N-O 3.35Å; K127-C146 HydrophobicContact CB-CB 4.32Å; K127-C146 PolarHBondContact O-N 2.79Å; C129-C146 VanDerWaalsContact CB-SG 3.59Å; C129-C146 PolarHBondContact SG-N 2.75Å; C135-C146 WeakPolarHBondContact CA-SG 3.48Å; C135-C146 HydrophobicContact CB-CB 3.79Å; C135-C146 WeakPolarHBondContact CB-SG 3.46Å; C135-C146 VanDerWaalsContact SG-CA 3.51Å; C135-C146 WeakPolarHBondContact SG-CB 3.38Å; C135-C146 CovalentContact SG-SG 2.04Å; C135-C146 PolarHBondContact SG-SG 2.7Å
147W89.3Confident72.1Confident18 Ų1876.3 Ų76.37%0.06845%0.452CS..EExtended strand (participates in β ladder)trans-111.8137.5178.4-6777.1000110.1Q111 I113 A122 Q123 P124 Q139 A140 K142 F143 E145Q111-W147 HydrophobicContact CB-CE3 4.4Å; Q111-W147 HydrophobicContact CB-CH2 3.91Å; Q111-W147 HydrophobicContact CB-CZ3 3.52Å; Q111-W147 HydrophobicContact CG-CH2 3.52Å; Q111-W147 HydrophobicContact CG-CZ3 3.67Å; I113-W147 HydrophobicContact CG2-CB 3.52Å; I113-W147 HydrophobicContact CG2-CG 4.27Å; A122-W147 HydrophobicContact CB-CB 4.09Å; A122-W147 HydrophobicContact CB-CE3 3.96Å; A122-W147 WeakPolarHBondContact O-CZ3 3.48Å; Q123-W147 WeakPolarHBondContact O-CA 3.39Å; P124-W147 HydrophobicContact CB-CH2 4.3Å; P124-W147 HydrophobicContact CB-CZ2 4.35Å; P124-W147 HydrophobicContact CB-CZ3 4.39Å; P124-W147 HydrophobicContact CG-CH2 4.3Å; P124-W147 HydrophobicContact CG-CZ3 4.33Å; Q139-W147 CarbonylContact C-O 3.53Å; Q139-W147 WeakPolarHBondContact CA-O 2.93Å; Q139-W147 WeakPolarHBondContact CB-O 3.48Å; A140-W147 PolarHBondContact N-O 3.28Å; A140-W147 PolarHBondContact O-N 3.46Å; K142-W147 HydrophobicContact CB-CG 4.3Å; K142-W147 VanDerWaalsContact O-CD1 3.25Å; K142-W147 PolarHBondContact O-NE1 3.46Å; F143-W147 AromaticContact CD2-CZ2 3.96Å; F143-W147 HydrophobicContact CD2-CZ2 3.96Å; E145-W147 PolarHBondContact O-NE1 2.9Å
148R87.5Confident70.3Confident138 Ų13879.4 Ų79.452%0.52145%0.448SS..EExtended strand (participates in β ladder)trans-117141.1172.365.3-177.4178.9177.3-0.4109.7A122 Q123 Q139 A150A122-R148 CarbonylContact C-O 3.59Å; A122-R148 WeakPolarHBondContact CA-O 3.46Å; A122-R148 VanDerWaalsContact CB-O 3.28Å; A122-R148 WeakPolarHBondContact CB-O 3.42Å; Q123-R148 PolarHBondContact N-O 2.76Å; Q123-R148 PolarHBondContact O-N 3.42Å; Q139-R148 HydrophobicContact CG-CB 4.02Å; R148-A150 PolarHBondContact O-N 2.98Å
149A80.9Confident68.5Low29 Ų2980.6 Ų80.624%0.2444%0.437CS..EExtended strand (participates in β ladder)trans-58.9130.7177.500000109.4I113 V115 T151I113-A149 HydrophobicContact CD1-CB 3.99Å; I113-A149 VanDerWaalsContact CD1-N 3.33Å; I113-A149 HydrophobicContact CG1-CB 4.39Å; V115-A149 HydrophobicContact CG2-CB 4.14Å; A149-T151 VanDerWaalsContact C-N 3.31Å; A149-T151 PolarHBondContact O-N 3.44Å
150A68.4Low66.3Low32 Ų3291 Ų9126%0.26448%0.482SS..  trans-73.991.7171.100000106.9P121 Q123 R148 I152P121-A150 WeakPolarHBondContact O-CB 3.19Å; P121-A150 PolarHBondContact O-N 3.47Å; Q123-A150 HydrophobicContact CG-CB 4.38Å; R148-A150 PolarHBondContact O-N 2.98Å; A150-I152 PolarHBondContact O-N 3.1Å
151T57.3Low65.3Low100 Ų10095.6 Ų95.661%0.61351%0.506SS*.  trans-62.5121.8171.345.90000107.8A149 F153A149-T151 VanDerWaalsContact C-N 3.31Å; A149-T151 PolarHBondContact O-N 3.44Å; T151-F153 CarbonylContact O-C 3.48Å; T151-F153 PolarHBondContact O-N 2.88Å; T151-F153 PolarHBondContact OG1-O 2.03Å
152I52.2Low64.1Low163 Ų16399.4 Ų99.484%0.83652%0.524SS*.SBendtrans-58.5-8.2179.230.3171.3000114.1A150A150-I152 PolarHBondContact O-N 3.1Å
153F45.5Very low62.9Low147 Ų147104.7 Ų104.765%0.64555%0.552SS**SBendtrans-113.8105.6164.2-72.6-88.4000107.9T151 M155T151-F153 CarbonylContact O-C 3.48Å; T151-F153 PolarHBondContact O-N 2.88Å; T151-F153 PolarHBondContact OG1-O 2.03Å; F153-M155 HydrophobicContact CB-CG 3.9Å; F153-M155 HydrophobicContact CB-SD 3.85Å; F153-M155 HydrophobicContact CD1-SD 4.28Å; F153-M155 HydrophobicContact CG-SD 4.49Å; F153-M155 PolarHBondContact O-N 3.46Å
154G42.6Very low61.5Low83 Ų83102.6 Ų102.686%0.85655%0.549SS*.  trans-65.233.917400000114.4A156G154-A156 PolarHBondContact O-N 3.19Å
155M46.6Very low60Low136 Ų136106.7 Ų106.767%0.6756%0.559SS**  trans-7995.6159.217.7-104.2-81.300107.1F153 F157F153-M155 HydrophobicContact CB-CG 3.9Å; F153-M155 HydrophobicContact CB-SD 3.85Å; F153-M155 HydrophobicContact CD1-SD 4.28Å; F153-M155 HydrophobicContact CG-SD 4.49Å; F153-M155 PolarHBondContact O-N 3.46Å; M155-F157 PolarHBondContact O-N 2.92Å; M155-F157 VanDerWaalsContact O-N 3.09Å
156A46.9Very low58Low78 Ų78109.7 Ų109.765%0.64558%0.577SS**  trans-46.9114.4159.400000108.4G154 E158G154-A156 PolarHBondContact O-N 3.19Å; A156-E158 HydrophobicContact CB-CG 4.2Å; A156-E158 PolarHBondContact O-N 2.79Å
157F48.3Very low55.8Low180 Ų180117.6 Ų117.679%0.78962%0.618SS**  trans-74.862.5162.5-117.8-94.2000107.7M155 L159M155-F157 PolarHBondContact O-N 2.92Å; M155-F157 VanDerWaalsContact O-N 3.09Å; F157-L159 HydrophobicContact CD1-CB 4.15Å; F157-L159 HydrophobicContact CD1-CD1 4.43Å; F157-L159 HydrophobicContact CE1-CB 4.4Å; F157-L159 HydrophobicContact CE1-CD1 4.18Å; F157-L159 HydrophobicContact CZ-CD1 4.48Å; F157-L159 PolarHBondContact O-N 3.46Å
158E39.2Very low53.3Low174 Ų174125.2 Ų125.281%0.81366%0.661SS**  trans-83.374.8153.8-67.6-73.6130.300104.9A156A156-E158 HydrophobicContact CB-CG 4.2Å; A156-E158 PolarHBondContact O-N 2.79Å
159L38.2Very low50.4Low98 Ų98124.2 Ų124.251%0.51367%0.672SS.*  trans-126.9101.2170.8-84.4171.8000108.1F157F157-L159 HydrophobicContact CD1-CB 4.15Å; F157-L159 HydrophobicContact CD1-CD1 4.43Å; F157-L159 HydrophobicContact CE1-CB 4.4Å; F157-L159 HydrophobicContact CE1-CD1 4.18Å; F157-L159 HydrophobicContact CZ-CD1 4.48Å; F157-L159 PolarHBondContact O-N 3.46Å
160F38.8Very low47.6Very low270 Ų270132.8 Ų132.8100%1.18471%0.712SS**  trans83.60162.6-44.9-72.7000117.6

Retrieved 160 of 160 residues in 150.7 ms (Link to these results)