A0A077YYT9_TRITR Loading...

DUF7107 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YYT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.4Low70.9Confident207 Ų207110.4 Ų110.4100%1.0262%0.615SS**  0-33.80-86.8156.564.100113.8A3M1-A3 PolarHBondContact O-N 3.43Å
2N69.7Low70.9Confident136 Ų136111.6 Ų111.673%0.72762%0.615SS**Hα-helixtrans-68-32-177.2-76.5-3.6000116.1L4 L6N2-L4 VanDerWaalsContact C-N 3.35Å; N2-L4 PolarHBondContact O-N 3.28Å; N2-L6 PolarHBondContact O-N 3.27Å
3A74.6Confident71Confident75 Ų75113 Ų11362%0.6261%0.612SS**Hα-helixtrans-68.5-33.2-179.900000113M1 L7M1-A3 PolarHBondContact O-N 3.43Å; A3-L7 PolarHBondContact O-N 3.44Å
4L72.3Confident71Confident122 Ų122109.9 Ų109.964%0.63960%0.603SS**Hα-helixtrans-73.9-35.7-179.6-153.979.4000111.6N2 L7 I8N2-L4 VanDerWaalsContact C-N 3.35Å; N2-L4 PolarHBondContact O-N 3.28Å; L4-L7 PolarHBondContact O-N 3.22Å; L4-I8 WeakPolarHBondContact O-CD1 3.43Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-I8 PolarHBondContact O-N 3.27Å
5L69.1Low70.7Confident116 Ų116106.2 Ų106.261%0.60759%0.593SS**Hα-helixtrans-65.3-39.6174.9-106.596.1000112.2I8 T9L5-I8 PolarHBondContact O-N 3.29Å; L5-T9 WeakPolarHBondContact O-CG2 3.49Å; L5-T9 PolarHBondContact O-N 3.18Å; L5-T9 PolarHBondContact O-OG1 3.3Å
6L71.1Confident70.6Confident111 Ų111110.6 Ų110.658%0.58160%0.598SS**Hα-helixtrans-65.6-36.2178.1-100.9154.9000113N2 T9 L10N2-L6 PolarHBondContact O-N 3.27Å; L6-T9 PolarHBondContact O-OG1 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.47Å; L6-L10 VanDerWaalsContact O-N 3.15Å
7L70.8Confident70.5Confident116 Ų116110.4 Ų110.461%0.60759%0.592SS**Hα-helixtrans-69.3-36.2175.4-73.2170.3000112A3 L4 A11A3-L7 PolarHBondContact O-N 3.44Å; L4-L7 PolarHBondContact O-N 3.22Å; L7-A11 WeakPolarHBondContact O-CB 3.5Å; L7-A11 PolarHBondContact O-N 3.01Å; L7-A11 VanDerWaalsContact O-N 3.08Å
8I72.9Confident70Confident85 Ų85107.6 Ų107.644%0.43659%0.587SS.*Hα-helixtrans-68.9-39.8177.7-67.2166.3000111L4 L5 A11 M12L4-I8 WeakPolarHBondContact O-CD1 3.43Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-I8 PolarHBondContact O-N 3.27Å; L5-I8 PolarHBondContact O-N 3.29Å; I8-A11 PolarHBondContact O-N 3.42Å; I8-M12 HydrophobicContact CG2-CE 3.53Å; I8-M12 WeakPolarHBondContact O-CG 3.46Å; I8-M12 PolarHBondContact O-N 3.1Å
9T72.3Confident69.6Low75 Ų75108.4 Ų108.446%0.4659%0.586SS.*Hα-helixtrans-68.9-38.7177.555.60000112.4L5 L6 M12 F13L5-T9 WeakPolarHBondContact O-CG2 3.49Å; L5-T9 PolarHBondContact O-N 3.18Å; L5-T9 PolarHBondContact O-OG1 3.3Å; L6-T9 PolarHBondContact O-OG1 3.47Å; T9-M12 PolarHBondContact O-N 3.11Å; T9-F13 WeakPolarHBondContact O-CB 3.29Å; T9-F13 PolarHBondContact O-N 3.46Å
10L73.6Confident69.1Low113 Ų113105.3 Ų105.359%0.59258%0.576SS**Hα-helixtrans-64.1-40.1174.6-77.8166000112.3L6 F13 S14L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.47Å; L6-L10 VanDerWaalsContact O-N 3.15Å; L10-F13 PolarHBondContact O-N 3.32Å; L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.96Å
11A70.8Confident68.7Low58 Ų58106.9 Ų106.948%0.47958%0.579SS.*Hα-helixtrans-68.2-35.3176.600000112.8L7 I8 S14 A15L7-A11 WeakPolarHBondContact O-CB 3.5Å; L7-A11 PolarHBondContact O-N 3.01Å; L7-A11 VanDerWaalsContact O-N 3.08Å; I8-A11 PolarHBondContact O-N 3.42Å; A11-S14 PolarHBondContact O-OG 3.08Å; A11-S14 VanDerWaalsContact O-OG 3.06Å; A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 3.33Å
12M71.3Confident68.5Low125 Ų125103 Ų10362%0.61655%0.554SS**Hα-helixtrans-70.1-34.9173.3-74.6-159.6-102.100112.2I8 T9 W16I8-M12 HydrophobicContact CG2-CE 3.53Å; I8-M12 WeakPolarHBondContact O-CG 3.46Å; I8-M12 PolarHBondContact O-N 3.1Å; T9-M12 PolarHBondContact O-N 3.11Å; M12-W16 WeakPolarHBondContact O-CB 3.44Å; M12-W16 PolarHBondContact O-N 3.4Å
13F72.4Confident67.8Low130 Ų130103.4 Ų103.457%0.5755%0.546SS*.Hα-helixtrans-67.8-40.1178.1-140.9-95.8000112.2T9 L10 W16 Q17T9-F13 WeakPolarHBondContact O-CB 3.29Å; T9-F13 PolarHBondContact O-N 3.46Å; L10-F13 PolarHBondContact O-N 3.32Å; F13-W16 PolarHBondContact O-N 3.15Å; F13-Q17 HydrophobicContact CD1-CG 4.49Å; F13-Q17 WeakPolarHBondContact O-CG 3.42Å; F13-Q17 PolarHBondContact O-N 3.06Å
14S70.2Confident67Low70 Ų70102.5 Ų102.549%0.4954%0.535SS..Hα-helixtrans-70.2-37.1176.861.70000112.5L10 A11 W16 Q17 A18L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.96Å; A11-S14 PolarHBondContact O-OG 3.08Å; A11-S14 VanDerWaalsContact O-OG 3.06Å; S14-W16 VanDerWaalsContact C-N 3.34Å; S14-W16 PolarHBondContact O-N 2.99Å; S14-Q17 PolarHBondContact O-N 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.06Å
15A67.5Low66Low54 Ų54100.6 Ų100.645%0.44653%0.528SS..Hα-helixtrans-65-37.3173.200000112.3A11 A18 Q19A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 3.33Å; A15-A18 PolarHBondContact O-N 2.95Å; A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 3.08Å; A15-Q19 VanDerWaalsContact O-N 3.11Å
16W68.6Low65.3Low177 Ų177102.7 Ų102.767%0.6753%0.528SS*.Hα-helixtrans-69.7-39.3176.1-164.580000112.2M12 F13 S14 Q19 A20M12-W16 WeakPolarHBondContact O-CB 3.44Å; M12-W16 PolarHBondContact O-N 3.4Å; F13-W16 PolarHBondContact O-N 3.15Å; S14-W16 VanDerWaalsContact C-N 3.34Å; S14-W16 PolarHBondContact O-N 2.99Å; W16-Q19 PolarHBondContact O-N 3.49Å; W16-A20 WeakPolarHBondContact O-CB 3.49Å; W16-A20 PolarHBondContact O-N 3.37Å
17Q68.7Low64.4Low106 Ų106104.2 Ų104.250%0.49553%0.527SS..Hα-helixtrans-64.5-40173.3-75.4-179-23.300112.4F13 S14 Q19 A20 Q21F13-Q17 HydrophobicContact CD1-CG 4.49Å; F13-Q17 WeakPolarHBondContact O-CG 3.42Å; F13-Q17 PolarHBondContact O-N 3.06Å; S14-Q17 PolarHBondContact O-N 3.31Å; Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q17-Q19 PolarHBondContact O-N 2.88Å; Q17-A20 PolarHBondContact O-N 3.22Å; Q17-Q21 WeakPolarHBondContact O-CG 3.49Å; Q17-Q21 PolarHBondContact O-N 3.04Å
18A62Low63.2Low61 Ų61102.1 Ų102.150%0.50452%0.519SS..Hα-helixtrans-64.2-38176.400000112.2S14 A15 Y22S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.06Å; A15-A18 PolarHBondContact O-N 2.95Å; A18-Y22 WeakPolarHBondContact O-CB 3.49Å; A18-Y22 PolarHBondContact O-N 3.25Å; A18-Y22 VanDerWaalsContact O-N 3.08Å
19Q62.3Low61.7Low122 Ų122107.6 Ų107.657%0.5753%0.534SS*.Hα-helixtrans-72.1-43173.1-68.8-173.9-2.300111.5A15 W16 Q17 Q21 Y22 W23A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 3.08Å; A15-Q19 VanDerWaalsContact O-N 3.11Å; W16-Q19 PolarHBondContact O-N 3.49Å; Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q17-Q19 PolarHBondContact O-N 2.88Å; Q19-Q21 PolarHBondContact O-N 3.08Å; Q19-Y22 PolarHBondContact O-N 2.93Å; Q19-W23 PolarHBondContact O-N 3.11Å
20A60.4Low60.5Low46 Ų46112.8 Ų112.838%0.3855%0.547SS..Hα-helixtrans-58.4-37.3176.300000112.1W16 Q17 S24W16-A20 WeakPolarHBondContact O-CB 3.49Å; W16-A20 PolarHBondContact O-N 3.37Å; Q17-A20 PolarHBondContact O-N 3.22Å; A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.34Å; A20-S24 PolarHBondContact O-N 2.98Å; A20-S24 PolarHBondContact O-OG 3.4Å
21Q59.1Low59Low140 Ų140111.5 Ų111.565%0.65455%0.553SS**Hα-helixtrans-70.9-37.9173.7-71-163.8-29.300112.8Q17 Q19 S24 T25Q17-Q21 WeakPolarHBondContact O-CG 3.49Å; Q17-Q21 PolarHBondContact O-N 3.04Å; Q19-Q21 PolarHBondContact O-N 3.08Å; Q21-S24 WeakPolarHBondContact CA-OG 3.49Å; Q21-S24 PolarHBondContact O-N 3.37Å; Q21-S24 PolarHBondContact O-OG 2.99Å; Q21-T25 WeakPolarHBondContact O-CB 3.2Å; Q21-T25 PolarHBondContact O-N 2.88Å; Q21-T25 PolarHBondContact O-OG1 2.71Å
22Y59.8Low57.7Low124 Ų124114 Ų11449%0.48656%0.562SS.*Hα-helixtrans-66.5-37.5175.1-168.7-100.8000112.8A18 Q19 T25 R26A18-Y22 WeakPolarHBondContact O-CB 3.49Å; A18-Y22 PolarHBondContact O-N 3.25Å; A18-Y22 VanDerWaalsContact O-N 3.08Å; Q19-Y22 PolarHBondContact O-N 2.93Å; Y22-T25 PolarHBondContact O-OG1 3.46Å; Y22-R26 WeakPolarHBondContact O-CB 3.45Å; Y22-R26 PolarHBondContact O-N 3.5Å; Y22-R26 VanDerWaalsContact O-N 3.13Å; Y22-R26 PolarHBondContact OH-NH2 3.37Å
23W54.9Low56Low146 Ų146109.3 Ų109.355%0.55355%0.546SS*.Hα-helixtrans-75.9-35.3174-73.278000111.2Q19 R26 Y27Q19-W23 PolarHBondContact O-N 3.11Å; W23-R26 PolarHBondContact O-N 3.39Å; W23-Y27 HydrophobicContact CD2-CE2 4.27Å; W23-Y27 AromaticContact CE3-CD2 3.85Å; W23-Y27 HydrophobicContact CE3-CD2 3.85Å; W23-Y27 AromaticContact CE3-CE2 3.19Å; W23-Y27 HydrophobicContact CE3-CE2 3.19Å; W23-Y27 AromaticContact CE3-CZ 3.99Å; W23-Y27 AromaticContact CZ3-CE2 3.45Å; W23-Y27 HydrophobicContact CZ3-CE2 3.45Å; W23-Y27 VanDerWaalsContact CZ3-CE2 3.45Å; W23-Y27 AromaticContact CZ3-CZ 3.86Å; W23-Y27 VanDerWaalsContact O-CB 3.32Å; W23-Y27 WeakPolarHBondContact O-CB 3.48Å; W23-Y27 VanDerWaalsContact O-CD2 3.3Å; W23-Y27 WeakPolarHBondContact O-CD2 3.46Å; W23-Y27 PolarHBondContact O-N 3.48Å
24S56.3Low54.3Low56 Ų56106.8 Ų106.839%0.39254%0.542SS..Hα-helixtrans-63.4-43.8172.680.40000111.4A20 Q21 R26 Y27 T28A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.34Å; A20-S24 PolarHBondContact O-N 2.98Å; A20-S24 PolarHBondContact O-OG 3.4Å; Q21-S24 WeakPolarHBondContact CA-OG 3.49Å; Q21-S24 PolarHBondContact O-N 3.37Å; Q21-S24 PolarHBondContact O-OG 2.99Å; S24-R26 VanDerWaalsContact C-N 3.34Å; S24-R26 PolarHBondContact O-N 3.01Å; S24-Y27 PolarHBondContact O-N 3.32Å; S24-T28 VanDerWaalsContact O-CB 3.25Å; S24-T28 WeakPolarHBondContact O-CB 3.36Å; S24-T28 WeakPolarHBondContact O-CG2 3.03Å; S24-T28 PolarHBondContact O-N 2.82Å; S24-T28 PolarHBondContact O-OG1 3.44Å
25T53.1Low53Low81 Ų81109.7 Ų109.750%0.49756%0.557SS.*Hα-helixtrans-77.2-14.6-179.346.40000114Q21 Y22 W29Q21-T25 WeakPolarHBondContact O-CB 3.2Å; Q21-T25 PolarHBondContact O-N 2.88Å; Q21-T25 PolarHBondContact O-OG1 2.71Å; Y22-T25 PolarHBondContact O-OG1 3.46Å; T25-W29 PolarHBondContact O-NE1 2.83Å
26R53.4Low52Low161 Ų161115 Ų11561%0.60857%0.567SS**Hα-helixtrans-93.3-26.4169-97-175.5174.8-165.9-1.2114.1Y22 W23 S24Y22-R26 WeakPolarHBondContact O-CB 3.45Å; Y22-R26 PolarHBondContact O-N 3.5Å; Y22-R26 VanDerWaalsContact O-N 3.13Å; Y22-R26 PolarHBondContact OH-NH2 3.37Å; W23-R26 PolarHBondContact O-N 3.39Å; S24-R26 VanDerWaalsContact C-N 3.34Å; S24-R26 PolarHBondContact O-N 3.01Å
27Y51.4Low51Low142 Ų142108.8 Ų108.856%0.55756%0.558SS**Hα-helixtrans-96.8-16178.5-78.6-95.5000113.9W23 S24 W29 Y30 A31W23-Y27 HydrophobicContact CD2-CE2 4.27Å; W23-Y27 AromaticContact CE3-CD2 3.85Å; W23-Y27 HydrophobicContact CE3-CD2 3.85Å; W23-Y27 AromaticContact CE3-CE2 3.19Å; W23-Y27 HydrophobicContact CE3-CE2 3.19Å; W23-Y27 AromaticContact CE3-CZ 3.99Å; W23-Y27 AromaticContact CZ3-CE2 3.45Å; W23-Y27 HydrophobicContact CZ3-CE2 3.45Å; W23-Y27 VanDerWaalsContact CZ3-CE2 3.45Å; W23-Y27 AromaticContact CZ3-CZ 3.86Å; W23-Y27 VanDerWaalsContact O-CB 3.32Å; W23-Y27 WeakPolarHBondContact O-CB 3.48Å; W23-Y27 VanDerWaalsContact O-CD2 3.3Å; W23-Y27 WeakPolarHBondContact O-CD2 3.46Å; W23-Y27 PolarHBondContact O-N 3.48Å; S24-Y27 PolarHBondContact O-N 3.32Å; Y27-W29 PolarHBondContact O-N 3.2Å; Y27-Y30 PolarHBondContact O-N 3.05Å; Y27-Y30 VanDerWaalsContact O-N 3.11Å; Y27-A31 PolarHBondContact O-N 3.15Å
28T46Very low50.3Low73 Ų73107.7 Ų107.745%0.44856%0.558SS.*Hα-helixtrans-69-19.2170.250.60000113.3S24 Y30 A31 T32S24-T28 VanDerWaalsContact O-CB 3.25Å; S24-T28 WeakPolarHBondContact O-CB 3.36Å; S24-T28 WeakPolarHBondContact O-CG2 3.03Å; S24-T28 PolarHBondContact O-N 2.82Å; S24-T28 PolarHBondContact O-OG1 3.44Å; T28-Y30 PolarHBondContact O-N 2.87Å; T28-A31 PolarHBondContact O-N 2.9Å; T28-T32 PolarHBondContact O-N 3.04Å; T28-T32 VanDerWaalsContact O-N 3.13Å; T28-T32 PolarHBondContact O-OG1 3.21Å; T28-T32 VanDerWaalsContact O-OG1 3.08Å
29W41.2Very low50.6Low199 Ų199106.8 Ų106.875%0.75455%0.548SS*.Hα-helixtrans-70-12.6169.3-71.991.8000113.9T25 Y27T25-W29 PolarHBondContact O-NE1 2.83Å; Y27-W29 PolarHBondContact O-N 3.2Å
30Y46.9Very low51.5Low184 Ų184105.1 Ų105.172%0.72256%0.555SS**Hα-helixtrans-106-14.6175.8-69-77.7000113.3Y27 T28Y27-Y30 PolarHBondContact O-N 3.05Å; Y27-Y30 VanDerWaalsContact O-N 3.11Å; T28-Y30 PolarHBondContact O-N 2.87Å
31A43.5Very low52.6Low87 Ų87103.3 Ų103.372%0.71954%0.539SS*.Hα-helixtrans-104.2-13.5-178.900000113.9Y27 T28Y27-A31 PolarHBondContact O-N 3.15Å; T28-A31 PolarHBondContact O-N 2.9Å
32T42.7Very low53.4Low111 Ų111101.8 Ų101.868%0.68154%0.544SS*.SBendtrans-108.760.7151.554.30000107.5T28T28-T32 PolarHBondContact O-N 3.04Å; T28-T32 VanDerWaalsContact O-N 3.13Å; T28-T32 PolarHBondContact O-OG1 3.21Å; T28-T32 VanDerWaalsContact O-OG1 3.08Å
33G36.4Very low54.2Low26 Ų26100.3 Ų100.327%0.26854%0.544SS..  trans-50.2131.415400000105.6
34P36.7Very low55.4Low76 Ų7695.8 Ų95.849%0.49453%0.529SS..  trans-48.1157.117217.6-25.9000106.9Y36P34-Y36 HydrophobicContact CG-CD1 3.78Å; P34-Y36 HydrophobicContact CG-CD2 4.21Å; P34-Y36 HydrophobicContact CG-CE1 4Å; P34-Y36 HydrophobicContact CG-CE2 4.44Å; P34-Y36 HydrophobicContact CG-CG 3.9Å; P34-Y36 VanDerWaalsContact O-CA 3.31Å; P34-Y36 WeakPolarHBondContact O-CA 3.5Å; P34-Y36 WeakPolarHBondContact O-CD2 3.46Å; P34-Y36 PolarHBondContact O-N 2.94Å
35T42.3Very low56.5Low131 Ų13197.3 Ų97.380%0.80454%0.539SS*.SBendtrans-48.590.7146.246.70000104.8G37T35-G37 WeakPolarHBondContact O-CA 3.25Å; T35-G37 PolarHBondContact O-N 3.08Å
36Y47.4Very low57.8Low167 Ų16796.2 Ų96.266%0.65553%0.53SS*.  trans-62.2111.8-153.7-100.9-86.4000105.2P34 V38P34-Y36 HydrophobicContact CG-CD1 3.78Å; P34-Y36 HydrophobicContact CG-CD2 4.21Å; P34-Y36 HydrophobicContact CG-CE1 4Å; P34-Y36 HydrophobicContact CG-CE2 4.44Å; P34-Y36 HydrophobicContact CG-CG 3.9Å; P34-Y36 VanDerWaalsContact O-CA 3.31Å; P34-Y36 WeakPolarHBondContact O-CA 3.5Å; P34-Y36 WeakPolarHBondContact O-CD2 3.46Å; P34-Y36 PolarHBondContact O-N 2.94Å; Y36-V38 PolarHBondContact O-N 3.13Å
37G46Very low59.3Low46 Ų4688.6 Ų88.647%0.47450%0.502SS..  trans-38.3108.6-144.500000111.8T35 S39T35-G37 WeakPolarHBondContact O-CA 3.25Å; T35-G37 PolarHBondContact O-N 3.08Å; G37-S39 PolarHBondContact O-N 3.41Å
38V54Low60.9Low82 Ų8289.7 Ų89.750%0.49751%0.51SS..  trans-71.174.7160.9-150.90000105.2Y36 A40 N57Y36-V38 PolarHBondContact O-N 3.13Å; V38-A40 PolarHBondContact O-N 2.82Å; V38-N57 HydrophobicContact CG1-CB 3.35Å; V38-N57 WeakPolarHBondContact CG1-OD1 3.5Å
39S69.6Low62.8Low43 Ų4388.3 Ų88.330%0.30151%0.51SS..  trans-66.7128171.854.30000106G37 C41 C58G37-S39 PolarHBondContact O-N 3.41Å; S39-C41 PolarHBondContact O-N 2.84Å; S39-C58 PolarHBondContact O-N 3.23Å; S39-C58 VanDerWaalsContact O-N 3.16Å; S39-C58 PolarHBondContact O-SG 3.32Å; S39-C58 WeakPolarHBondContact OG-CB 3.1Å; S39-C58 PolarHBondContact OG-SG 3.43Å
40A81.4Confident65Low86 Ų8685 Ų8571%0.71150%0.503SS*.BIsolated β-bridgetrans-57139.3172.100000108.9V38 G56V38-A40 PolarHBondContact O-N 2.82Å; A40-G56 CarbonylContact C-O 3.53Å; A40-G56 WeakPolarHBondContact CA-O 3.03Å
41C82.5Confident67.1Low8 Ų878.5 Ų78.55%0.05448%0.48CS..  trans-139144.2177.263.30000110.2S39 D46 C53 G56 N57 C58S39-C41 PolarHBondContact O-N 2.84Å; C41-D46 HydrophobicContact CB-CB 3.72Å; C41-C53 VanDerWaalsContact C-SG 3.55Å; C41-C53 HydrophobicContact CB-CB 3.76Å; C41-C53 WeakPolarHBondContact CB-SG 3.39Å; C41-C53 PolarHBondContact O-SG 3.42Å; C41-C53 WeakPolarHBondContact SG-CA 3.27Å; C41-C53 WeakPolarHBondContact SG-CB 3.3Å; C41-C53 CovalentContact SG-SG 2.02Å; C41-C53 PolarHBondContact SG-SG 3.41Å; C41-G56 PolarHBondContact N-O 2.76Å; C41-G56 CarbonylContact O-C 2.94Å; C41-G56 VanDerWaalsContact O-CA 3.28Å; C41-G56 WeakPolarHBondContact O-CA 2.95Å; C41-G56 VanDerWaalsContact SG-C 3.55Å; C41-N57 PolarHBondContact SG-N 2.9Å; C41-N57 PolarHBondContact SG-O 3.13Å; C41-N57 VanDerWaalsContact SG-O 3.36Å; C41-C58 VanDerWaalsContact CB-SG 3.53Å
42S76Confident69.2Low108 Ų10874.3 Ų74.376%0.75545%0.445SS*.SBendtrans-106.4-30.3169.2-60.80000111D46S42-D46 PolarHBondContact N-OD2 2.84Å
43I76.2Confident71.2Confident93 Ų9369.6 Ų69.648%0.47742%0.416SS..SBendtrans-134.3161.8-177.858.7176.2000111.9S45 D46I43-S45 WeakPolarHBondContact CD1-OG 3.5Å; I43-S45 VanDerWaalsContact CG1-OG 3.28Å; I43-S45 WeakPolarHBondContact CG1-OG 3.32Å; I43-S45 PolarHBondContact O-N 3.3Å; I43-S45 VanDerWaalsContact O-N 3.17Å; I43-D46 VanDerWaalsContact CG1-CG 3.43Å; I43-D46 WeakPolarHBondContact CG1-OD1 3.47Å; I43-D46 WeakPolarHBondContact CG1-OD2 3.2Å; I43-D46 PolarHBondContact N-OD2 2.83Å; I43-D46 WeakPolarHBondContact O-CB 3.4Å; I43-D46 PolarHBondContact O-N 3.41Å
44Q81.3Confident73.5Confident52 Ų5269.8 Ų69.824%0.24341%0.41CS..THydrogen-bonded Turntrans-64.3-21.6-176-62.9-61.1-25.600114.2C53 V80 K82Q44-C53 PolarHBondContact NE2-O 2.62Å; Q44-V80 HydrophobicContact CB-CG1 4.04Å; Q44-V80 HydrophobicContact CG-CG1 3.69Å; Q44-V80 HydrophobicContact CG-CG2 4Å; Q44-K82 PolarHBondContact O-NZ 2.91Å
45S78.4Confident75.5Confident87 Ų8769.9 Ų69.961%0.60842%0.418SS*.THydrogen-bonded Turntrans-79-15.6175.749.80000113.9I43 C47I43-S45 WeakPolarHBondContact CD1-OG 3.5Å; I43-S45 VanDerWaalsContact CG1-OG 3.28Å; I43-S45 WeakPolarHBondContact CG1-OG 3.32Å; I43-S45 PolarHBondContact O-N 3.3Å; I43-S45 VanDerWaalsContact O-N 3.17Å; S45-C47 PolarHBondContact O-N 3.36Å
46D81.4Confident77.2Confident58 Ų5865.4 Ų65.431%0.3140%0.397SS..THydrogen-bonded Turntrans-72.1-26.2177.6-58.1-19.2000111.3C41 S42 I43C41-D46 HydrophobicContact CB-CB 3.72Å; S42-D46 PolarHBondContact N-OD2 2.84Å; I43-D46 VanDerWaalsContact CG1-CG 3.43Å; I43-D46 WeakPolarHBondContact CG1-OD1 3.47Å; I43-D46 WeakPolarHBondContact CG1-OD2 3.2Å; I43-D46 PolarHBondContact N-OD2 2.83Å; I43-D46 WeakPolarHBondContact O-CB 3.4Å; I43-D46 PolarHBondContact O-N 3.41Å
47C84.8Confident79.1Confident2 Ų260 Ų601%0.01438%0.379CS..SBendtrans-83.8120179-57.50000110.7S45 M51 C53 C58 K82S45-C47 PolarHBondContact O-N 3.36Å; C47-M51 HydrophobicContact CB-CB 3.71Å; C47-C53 VanDerWaalsContact SG-CA 3.53Å; C47-C53 VanDerWaalsContact SG-CB 3.59Å; C47-C53 PolarHBondContact SG-N 3.01Å; C47-C53 VanDerWaalsContact SG-N 3.42Å; C47-C58 WeakPolarHBondContact CA-SG 2.99Å; C47-C58 HydrophobicContact CB-CB 3.76Å; C47-C58 WeakPolarHBondContact CB-SG 3.32Å; C47-C58 WeakPolarHBondContact SG-CA 3.41Å; C47-C58 WeakPolarHBondContact SG-CB 3.41Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 2.73Å; C47-K82 PolarHBondContact O-NZ 3.43Å
48F85Confident81.1Confident165 Ų16558 Ų5872%0.72436%0.358SS*.  trans-73151.4-180-63.1-79.9000112.5Q50 M51F48-Q50 PolarHBondContact O-N 3.38Å; F48-M51 WeakPolarHBondContact O-CB 3.17Å; F48-M51 WeakPolarHBondContact O-CG 2.95Å; F48-M51 PolarHBondContact O-N 2.87Å
49G85.4Confident82.8Confident43 Ų4357 Ų5744%0.44335%0.346SS..SBendtrans52.9-133.9173.200000113.4M51 K82 F83G49-M51 PolarHBondContact O-N 3.15Å; G49-K82 VanDerWaalsContact O-CE 3.25Å; G49-K82 WeakPolarHBondContact O-CE 3.28Å; G49-K82 PolarHBondContact O-NZ 3.11Å; G49-F83 VanDerWaalsContact O-CE2 3.25Å; G49-F83 WeakPolarHBondContact O-CE2 3.15Å
50Q88Confident83.9Confident130 Ų13057.2 Ų57.261%0.60735%0.35SS*.SBendtrans-82.840.1-173.8-57.7-172.237.900113F48 A61 W87F48-Q50 PolarHBondContact O-N 3.38Å; Q50-A61 PolarHBondContact O-N 3.49Å; Q50-W87 HydrophobicContact CB-CE3 4.44Å; Q50-W87 HydrophobicContact CB-CH2 3.92Å; Q50-W87 HydrophobicContact CB-CZ3 3.57Å; Q50-W87 HydrophobicContact CG-CH2 3.54Å; Q50-W87 HydrophobicContact CG-CZ3 3.75Å
51M89.7Confident84.4Confident47 Ų4753.3 Ų53.323%0.23232%0.318CS..EExtended strand (participates in β ladder)trans-116.9150.2-179.3-60.4176.885.900111.4C47 F48 G49 C58 Y59 K82C47-M51 HydrophobicContact CB-CB 3.71Å; F48-M51 WeakPolarHBondContact O-CB 3.17Å; F48-M51 WeakPolarHBondContact O-CG 2.95Å; F48-M51 PolarHBondContact O-N 2.87Å; G49-M51 PolarHBondContact O-N 3.15Å; M51-C58 HydrophobicContact CB-CB 4.38Å; M51-C58 HydrophobicContact CE-CB 3.55Å; M51-C58 WeakPolarHBondContact CE-O 3.3Å; M51-C58 HydrophobicContact SD-CB 4.33Å; M51-Y59 CarbonylContact C-O 3.41Å; M51-Y59 WeakPolarHBondContact CA-O 2.94Å; M51-Y59 WeakPolarHBondContact CB-O 3.29Å; M51-K82 PolarHBondContact O-NZ 2.88Å
52V87.9Confident84.8Confident0 Ų056.1 Ų56.10%033%0.332CS..EExtended strand (participates in β ladder)trans-122143.5174.4-65.60000110.3Y59 A61 V80 W87 P89 F98V52-Y59 PolarHBondContact N-O 2.68Å; V52-Y59 PolarHBondContact O-N 3.01Å; V52-A61 HydrophobicContact CB-CB 4.28Å; V52-A61 HydrophobicContact CG1-CB 3.64Å; V52-A61 HydrophobicContact CG2-CB 3.88Å; V52-V80 HydrophobicContact CG1-CB 4.23Å; V52-W87 HydrophobicContact CG1-CB 3.91Å; V52-P89 HydrophobicContact CG2-CG 3.91Å; V52-F98 HydrophobicContact CB-CE2 3.95Å; V52-F98 HydrophobicContact CB-CZ 3.85Å; V52-F98 HydrophobicContact CG1-CZ 4.37Å; V52-F98 HydrophobicContact CG2-CD2 4.34Å; V52-F98 HydrophobicContact CG2-CE2 3.49Å; V52-F98 VanDerWaalsContact CG2-CE2 3.49Å; V52-F98 HydrophobicContact CG2-CZ 3.71Å
53C85.1Confident85.6Confident11 Ų1152.4 Ų52.47%0.07431%0.305CS..EExtended strand (participates in β ladder)trans-81.6130176.8-174.30000110.4C41 Q44 C47C41-C53 VanDerWaalsContact C-SG 3.55Å; C41-C53 HydrophobicContact CB-CB 3.76Å; C41-C53 WeakPolarHBondContact CB-SG 3.39Å; C41-C53 PolarHBondContact O-SG 3.42Å; C41-C53 WeakPolarHBondContact SG-CA 3.27Å; C41-C53 WeakPolarHBondContact SG-CB 3.3Å; C41-C53 CovalentContact SG-SG 2.02Å; C41-C53 PolarHBondContact SG-SG 3.41Å; Q44-C53 PolarHBondContact NE2-O 2.62Å; C47-C53 VanDerWaalsContact SG-CA 3.53Å; C47-C53 VanDerWaalsContact SG-CB 3.59Å; C47-C53 PolarHBondContact SG-N 3.01Å; C47-C53 VanDerWaalsContact SG-N 3.42Å
54H83.9Confident86.2Confident31 Ų3149.5 Ų49.514%0.14429%0.292CS..EExtended strand (participates in β ladder)trans-149.5136.2171.817869.4000110.2G56 N57 Y59 Q97 F98H54-G56 PolarHBondContact O-N 3.42Å; H54-G56 VanDerWaalsContact O-N 3.11Å; H54-N57 PolarHBondContact N-O 3.43Å; H54-N57 PolarHBondContact O-N 3.37Å; H54-Y59 HydrophobicContact CB-CD2 3.8Å; H54-Y59 HydrophobicContact CB-CE2 3.81Å; H54-Y59 AromaticContact CD2-CE2 3.99Å; H54-Y59 VanDerWaalsContact O-CE2 3.31Å; H54-Y59 WeakPolarHBondContact O-CE2 3.33Å; H54-Q97 PolarHBondContact CE1-O 3.45Å; H54-Q97 VanDerWaalsContact CE1-O 3.27Å; H54-F98 HydrophobicContact CB-CD2 3.59Å; H54-F98 HydrophobicContact CB-CE2 3.77Å; H54-F98 AromaticContact CG-CD2 3.71Å; H54-F98 AromaticContact ND1-CD2 3.74Å
55A78.3Confident86.3Confident78 Ų7855.8 Ų55.865%0.64532%0.318SS*.THydrogen-bonded Turntrans47.743177.900000113.6N57A55-N57 VanDerWaalsContact C-N 3.29Å; A55-N57 PolarHBondContact O-N 2.83Å; A55-N57 PolarHBondContact O-ND2 2.93Å
56G79.7Confident86.5Confident36 Ų3655.9 Ų55.937%0.37133%0.333SS..THydrogen-bonded Turntrans80.91179.200000115.4A40 C41 H54A40-G56 CarbonylContact C-O 3.53Å; A40-G56 WeakPolarHBondContact CA-O 3.03Å; C41-G56 PolarHBondContact N-O 2.76Å; C41-G56 CarbonylContact O-C 2.94Å; C41-G56 VanDerWaalsContact O-CA 3.28Å; C41-G56 WeakPolarHBondContact O-CA 2.95Å; C41-G56 VanDerWaalsContact SG-C 3.55Å; H54-G56 PolarHBondContact O-N 3.42Å; H54-G56 VanDerWaalsContact O-N 3.11Å
57N85.7Confident86.3Confident53 Ų5355.7 Ų55.728%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-131.7140.1-167.7-69.7-61000112.1V38 C41 H54 A55 Y59V38-N57 HydrophobicContact CG1-CB 3.35Å; V38-N57 WeakPolarHBondContact CG1-OD1 3.5Å; C41-N57 PolarHBondContact SG-N 2.9Å; C41-N57 PolarHBondContact SG-O 3.13Å; C41-N57 VanDerWaalsContact SG-O 3.36Å; H54-N57 PolarHBondContact N-O 3.43Å; H54-N57 PolarHBondContact O-N 3.37Å; A55-N57 VanDerWaalsContact C-N 3.29Å; A55-N57 PolarHBondContact O-N 2.83Å; A55-N57 PolarHBondContact O-ND2 2.93Å; N57-Y59 HydrophobicContact CB-CE1 4.35Å; N57-Y59 HydrophobicContact CB-CE2 3.78Å; N57-Y59 WeakPolarHBondContact O-CD2 3.38Å
58C88.5Confident86.4Confident4 Ų459.9 Ų59.93%0.02736%0.364CS..EExtended strand (participates in β ladder)trans-83127.7174.2-66.10000111.6S39 C41 C47 M51S39-C58 PolarHBondContact O-N 3.23Å; S39-C58 VanDerWaalsContact O-N 3.16Å; S39-C58 PolarHBondContact O-SG 3.32Å; S39-C58 WeakPolarHBondContact OG-CB 3.1Å; S39-C58 PolarHBondContact OG-SG 3.43Å; C41-C58 VanDerWaalsContact CB-SG 3.53Å; C47-C58 WeakPolarHBondContact CA-SG 2.99Å; C47-C58 HydrophobicContact CB-CB 3.76Å; C47-C58 WeakPolarHBondContact CB-SG 3.32Å; C47-C58 WeakPolarHBondContact SG-CA 3.41Å; C47-C58 WeakPolarHBondContact SG-CB 3.41Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 2.73Å; M51-C58 HydrophobicContact CB-CB 4.38Å; M51-C58 HydrophobicContact CE-CB 3.55Å; M51-C58 WeakPolarHBondContact CE-O 3.3Å; M51-C58 HydrophobicContact SD-CB 4.33Å
59Y90.1Very high86.7Confident62 Ų6252.2 Ų52.224%0.24333%0.33CS..EExtended strand (participates in β ladder)trans-119.8144176.6-59.8-72.3000111.6M51 V52 H54 N57 A61 I94M51-Y59 CarbonylContact C-O 3.41Å; M51-Y59 WeakPolarHBondContact CA-O 2.94Å; M51-Y59 WeakPolarHBondContact CB-O 3.29Å; V52-Y59 PolarHBondContact N-O 2.68Å; V52-Y59 PolarHBondContact O-N 3.01Å; H54-Y59 HydrophobicContact CB-CD2 3.8Å; H54-Y59 HydrophobicContact CB-CE2 3.81Å; H54-Y59 AromaticContact CD2-CE2 3.99Å; H54-Y59 VanDerWaalsContact O-CE2 3.31Å; H54-Y59 WeakPolarHBondContact O-CE2 3.33Å; N57-Y59 HydrophobicContact CB-CE1 4.35Å; N57-Y59 HydrophobicContact CB-CE2 3.78Å; N57-Y59 WeakPolarHBondContact O-CD2 3.38Å; Y59-A61 PolarHBondContact O-N 2.7Å; Y59-I94 HydrophobicContact CD1-CD1 3.14Å; Y59-I94 HydrophobicContact CD2-CD1 4.08Å; Y59-I94 HydrophobicContact CD2-CG2 3.88Å; Y59-I94 HydrophobicContact CE1-CD1 3.28Å; Y59-I94 HydrophobicContact CE2-CD1 4.16Å; Y59-I94 HydrophobicContact CE2-CG2 4.11Å; Y59-I94 HydrophobicContact CG-CD1 3.55Å; Y59-I94 HydrophobicContact CG-CG2 4.18Å
60A91.8Very high86.8Confident47 Ų4755.6 Ų55.639%0.38834%0.342SS..EExtended strand (participates in β ladder)trans-55.3137.3170.300000110.3P89 Q90A60-P89 WeakPolarHBondContact O-CA 3.34Å; A60-Q90 HydrophobicContact CB-CB 4.34Å; A60-Q90 WeakPolarHBondContact O-CB 3.34Å; A60-Q90 PolarHBondContact O-N 3.38Å
61A92.1Very high86.6Confident4 Ų451.5 Ų51.53%0.03333%0.329CS..EExtended strand (participates in β ladder)trans-130.7152.1-176.200000111Q50 V52 Y59 W87 K88Q50-A61 PolarHBondContact O-N 3.49Å; V52-A61 HydrophobicContact CB-CB 4.28Å; V52-A61 HydrophobicContact CG1-CB 3.64Å; V52-A61 HydrophobicContact CG2-CB 3.88Å; Y59-A61 PolarHBondContact O-N 2.7Å; A61-W87 HydrophobicContact CB-CB 4.16Å; A61-W87 HydrophobicContact CB-CE3 3.89Å; A61-W87 WeakPolarHBondContact O-CZ3 2.99Å; A61-K88 CarbonylContact C-O 3.51Å; A61-K88 WeakPolarHBondContact CA-O 3.28Å; A61-K88 VanDerWaalsContact CB-O 3.29Å; A61-K88 WeakPolarHBondContact CB-O 2.95Å
62I92.3Very high86.2Confident67 Ų6752.1 Ų52.134%0.34433%0.331SS..EExtended strand (participates in β ladder)trans-113.8143.4174.856.9173.8000110.1W87 K88 Q90I62-W87 WeakPolarHBondContact O-CA 3.22Å; I62-K88 HydrophobicContact CG1-CG 3.93Å; I62-K88 PolarHBondContact N-O 3.31Å; I62-K88 PolarHBondContact O-N 2.04Å; I62-Q90 HydrophobicContact CG2-CB 4.1Å; I62-Q90 HydrophobicContact CG2-CG 4.01Å
63P92.5Very high85.6Confident31 Ų3155.2 Ų55.220%0.20135%0.353CS..EExtended strand (participates in β ladder)trans-71.1142.317530.8-34000110.1K85 C86 W87P63-K85 HydrophobicContact CB-CD 4.18Å; P63-C86 CarbonylContact C-O 3.38Å; P63-C86 WeakPolarHBondContact CA-O 3.03Å; P63-W87 HydrophobicContact CB-CD2 4.44Å; P63-W87 HydrophobicContact CB-CE3 4.49Å; P63-W87 HydrophobicContact CB-CH2 4.39Å; P63-W87 HydrophobicContact CB-CZ2 4.36Å; P63-W87 HydrophobicContact CB-CZ3 4.45Å; P63-W87 HydrophobicContact CG-CH2 4.41Å; P63-W87 HydrophobicContact CG-CZ3 4.42Å
64V89Confident85.4Confident31 Ų3159 Ų5919%0.18837%0.369CS..EExtended strand (participates in β ladder)trans-83117.4170-177.70000107.9Q79 C86 K88V64-Q79 HydrophobicContact CG2-CG 4.01Å; V64-C86 HydrophobicContact CB-CB 4.3Å; V64-C86 PolarHBondContact N-O 3.24Å; V64-K88 HydrophobicContact CG2-CD 4.13Å; V64-K88 HydrophobicContact CG2-CG 4.13Å
65F83.1Confident85.4Confident184 Ų18458.2 Ų58.281%0.80737%0.367SS*.EExtended strand (participates in β ladder)trans-67.9144178.7-64.8-76.2000111.1
66G81.3Confident85.6Confident89 Ų8957.5 Ų57.592%0.91836%0.357SS*.EExtended strand (participates in β ladder)trans88.8-11.5176.400000115.7
67T77.2Confident85.4Confident54 Ų5458 Ų5833%0.33135%0.35SS..EExtended strand (participates in β ladder)trans-120.1114.4-179.7-46.10000111.4
68S88.6Confident85.1Confident91 Ų9157.9 Ų57.964%0.63635%0.353SS*.EExtended strand (participates in β ladder)trans-95.9148167.1-62.40000109.5R84S68-R84 WeakPolarHBondContact CA-O 3.36Å
69C89.9Confident85.1Confident3 Ų358.7 Ų58.72%0.0236%0.357CS..  trans-135.2147.6-179.767.40000111Q74 C75 C81 R84 K85C69-Q74 HydrophobicContact CB-CB 3.9Å; C69-C75 VanDerWaalsContact SG-SG 3.68Å; C69-C81 HydrophobicContact CB-CB 3.85Å; C69-C81 WeakPolarHBondContact CB-SG 3.45Å; C69-C81 WeakPolarHBondContact SG-CA 3.41Å; C69-C81 WeakPolarHBondContact SG-CB 3.41Å; C69-C81 CovalentContact SG-SG 2.03Å; C69-C81 PolarHBondContact SG-SG 3.04Å; C69-R84 PolarHBondContact N-O 2.94Å; C69-R84 CarbonylContact O-C 3.43Å; C69-R84 WeakPolarHBondContact O-CA 3.47Å; C69-R84 WeakPolarHBondContact O-CB 3.13Å; C69-K85 PolarHBondContact SG-O 2.77Å
70T88.3Confident84.9Confident114 Ų11455.9 Ų55.970%0.69935%0.346SS*.SBendtrans-109.2-17.4164.658.10000111Q74T70-Q74 PolarHBondContact OG1-OE1 3.46Å
71S83.8Confident84.8Confident45 Ų4555.1 Ų55.132%0.31534%0.337SS..SBendtrans-145.9162.2177.667.30000111.3S73 Q74S71-S73 PolarHBondContact O-N 3.26Å; S71-S73 VanDerWaalsContact O-N 3.11Å; S71-S73 PolarHBondContact OG-OG 2.94Å; S71-Q74 PolarHBondContact O-N 2.03Å; S71-Q74 PolarHBondContact OG-OE1 2.82Å
72Q81.1Confident84.6Confident60 Ų6056.2 Ų56.228%0.2834%0.341SS..G310 helixtrans-55.8-27.1177.1-171.852.250.900113.5Q74 C75 Q79 V80 S100Q72-Q74 PolarHBondContact O-N 3.28Å; Q72-Q74 VanDerWaalsContact O-N 3.14Å; Q72-C75 PolarHBondContact O-N 2.01Å; Q72-C75 VanDerWaalsContact O-N 3.17Å; Q72-Q79 PolarHBondContact NE2-O 3.37Å; Q72-V80 VanDerWaalsContact OE1-CA 3.3Å; Q72-S100 PolarHBondContact NE2-OG 2.86Å
73S75.1Confident84.4Confident65 Ų6559.2 Ų59.246%0.45535%0.352SS..G310 helixtrans-54.8-29.1177.8-22.70000114.9S71 C75 R113S71-S73 PolarHBondContact O-N 3.26Å; S71-S73 VanDerWaalsContact O-N 3.11Å; S71-S73 PolarHBondContact OG-OG 2.94Å; S73-C75 VanDerWaalsContact C-N 3.34Å; S73-R113 PolarHBondContact OG-NH1 2.77Å
74Q82.1Confident84.4Confident91 Ų9166.7 Ų66.743%0.42538%0.376SS..G310 helixtrans-91.3-5.4-172.3-67.9164.1-79.100112.2C69 T70 S71 Q72C69-Q74 HydrophobicContact CB-CB 3.9Å; T70-Q74 PolarHBondContact OG1-OE1 3.46Å; S71-Q74 PolarHBondContact O-N 2.03Å; S71-Q74 PolarHBondContact OG-OE1 2.82Å; Q72-Q74 PolarHBondContact O-N 3.28Å; Q72-Q74 VanDerWaalsContact O-N 3.14Å
75C83.5Confident84.5Confident14 Ų1470 Ų7010%0.09539%0.388CS..SBendtrans-104.5150.7177.1-59.50000109.6C69 Q72 S73 Q79 C86C69-C75 VanDerWaalsContact SG-SG 3.68Å; Q72-C75 PolarHBondContact O-N 2.01Å; Q72-C75 VanDerWaalsContact O-N 3.17Å; S73-C75 VanDerWaalsContact C-N 3.34Å; C75-Q79 HydrophobicContact CB-CB 3.82Å; C75-C86 WeakPolarHBondContact CA-SG 3.23Å; C75-C86 HydrophobicContact CB-CB 3.79Å; C75-C86 WeakPolarHBondContact CB-SG 3.01Å; C75-C86 WeakPolarHBondContact SG-CA 3.45Å; C75-C86 WeakPolarHBondContact SG-CB 3.44Å; C75-C86 CovalentContact SG-SG 2.04Å; C75-C86 PolarHBondContact SG-SG 3.4Å
76S82.6Confident84.9Confident63 Ų6361.2 Ų61.244%0.44135%0.35SS..  trans-61.4159172.3-510000110.6S78 Q79S76-S78 PolarHBondContact O-N 3.05Å; S76-Q79 VanDerWaalsContact N-OE1 3.15Å; S76-Q79 WeakPolarHBondContact O-CB 3.34Å; S76-Q79 PolarHBondContact O-N 3.03Å; S76-Q79 VanDerWaalsContact O-O 3.13Å; S76-Q79 PolarHBondContact OG-NE2 3.25Å
77Q74.7Confident85.4Confident45 Ų4557.8 Ų57.821%0.2131%0.309CS..THydrogen-bonded Turntrans-54.9-24.4177.1-67.2179.71.900113.2Q79 T99 S100 V101 T125Q77-Q79 VanDerWaalsContact C-N 3.35Å; Q77-T99 CarbonylContact O-C 3.44Å; Q77-T99 WeakPolarHBondContact O-CA 3.44Å; Q77-S100 VanDerWaalsContact C-OG 3.32Å; Q77-S100 WeakPolarHBondContact O-CB 3.31Å; Q77-S100 PolarHBondContact O-N 3.01Å; Q77-S100 PolarHBondContact O-OG 3.36Å; Q77-V101 HydrophobicContact CB-CG2 4.03Å; Q77-V101 HydrophobicContact CG-CG2 4.16Å; Q77-T125 VanDerWaalsContact NE2-N 3.13Å; Q77-T125 PolarHBondContact NE2-OG1 2.93Å
78S79.9Confident86Confident52 Ų5259.3 Ų59.336%0.36431%0.311SS..THydrogen-bonded Turntrans-91.420175.758.30000115S76 F98S76-S78 PolarHBondContact O-N 3.05Å; S78-F98 VanDerWaalsContact C-CD1 3.49Å; S78-F98 VanDerWaalsContact CA-O 3.28Å; S78-F98 WeakPolarHBondContact CA-O 3.3Å; S78-F98 WeakPolarHBondContact CB-O 3.47Å; S78-F98 VanDerWaalsContact O-CD1 3.23Å; S78-F98 WeakPolarHBondContact O-CD1 3.03Å
79Q87.5Confident86.1Confident20 Ų2055.1 Ų55.19%0.09328%0.282CS..  trans-143.6139.8-175.1-62.716611.200111V64 Q72 C75 S76 Q77 C86 W87 K88 S100V64-Q79 HydrophobicContact CG2-CG 4.01Å; Q72-Q79 PolarHBondContact NE2-O 3.37Å; C75-Q79 HydrophobicContact CB-CB 3.82Å; S76-Q79 VanDerWaalsContact N-OE1 3.15Å; S76-Q79 WeakPolarHBondContact O-CB 3.34Å; S76-Q79 PolarHBondContact O-N 3.03Å; S76-Q79 VanDerWaalsContact O-O 3.13Å; S76-Q79 PolarHBondContact OG-NE2 3.25Å; Q77-Q79 VanDerWaalsContact C-N 3.35Å; Q79-C86 HydrophobicContact CB-CB 4.11Å; Q79-C86 VanDerWaalsContact OE1-CB 3.27Å; Q79-W87 CarbonylContact C-O 3.42Å; Q79-W87 WeakPolarHBondContact CA-O 3.31Å; Q79-K88 HydrophobicContact CG-CB 4.36Å; Q79-S100 WeakPolarHBondContact O-CB 3.28Å; Q79-S100 PolarHBondContact O-OG 3.22Å
80V86.6Confident86.2Confident3 Ų360.7 Ų60.72%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-102136.7175.8170.70000110.6Q44 V52 Q72 K82 C86 W87 F98 S100Q44-V80 HydrophobicContact CB-CG1 4.04Å; Q44-V80 HydrophobicContact CG-CG1 3.69Å; Q44-V80 HydrophobicContact CG-CG2 4Å; V52-V80 HydrophobicContact CG1-CB 4.23Å; Q72-V80 VanDerWaalsContact OE1-CA 3.3Å; V80-K82 HydrophobicContact CG1-CB 4.49Å; V80-K82 PolarHBondContact O-N 3.37Å; V80-C86 CarbonylContact O-C 3.34Å; V80-C86 WeakPolarHBondContact O-CA 3.17Å; V80-W87 PolarHBondContact N-O 3.12Å; V80-W87 PolarHBondContact O-N 2.74Å; V80-F98 HydrophobicContact CG2-CE1 3.88Å; V80-F98 HydrophobicContact CG2-CZ 3.52Å; V80-S100 VanDerWaalsContact CG2-CB 3.4Å
81C88.7Confident86.1Confident31 Ų3158.8 Ų58.821%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-75.1111.5169.9-174.80000110.6C69C69-C81 HydrophobicContact CB-CB 3.85Å; C69-C81 WeakPolarHBondContact CB-SG 3.45Å; C69-C81 WeakPolarHBondContact SG-CA 3.41Å; C69-C81 WeakPolarHBondContact SG-CB 3.41Å; C69-C81 CovalentContact SG-SG 2.03Å; C69-C81 PolarHBondContact SG-SG 3.04Å
82K88.5Confident86.1Confident27 Ų2761.6 Ų61.612%0.11731%0.31CS..EExtended strand (participates in β ladder)trans-144.3139.4178.8-168.7174.2-179.31620110.1Q44 C47 G49 M51 V80 R84 K85 W87Q44-K82 PolarHBondContact O-NZ 2.91Å; C47-K82 PolarHBondContact O-NZ 3.43Å; G49-K82 VanDerWaalsContact O-CE 3.25Å; G49-K82 WeakPolarHBondContact O-CE 3.28Å; G49-K82 PolarHBondContact O-NZ 3.11Å; M51-K82 PolarHBondContact O-NZ 2.88Å; V80-K82 HydrophobicContact CG1-CB 4.49Å; V80-K82 PolarHBondContact O-N 3.37Å; K82-R84 PolarHBondContact O-N 3.29Å; K82-R84 VanDerWaalsContact O-N 3.11Å; K82-K85 PolarHBondContact N-O 3.42Å; K82-K85 PolarHBondContact O-N 2.8Å; K82-W87 HydrophobicContact CB-CG 4.34Å; K82-W87 VanDerWaalsContact O-CD1 3.24Å; K82-W87 PolarHBondContact O-NE1 2.57Å
83F88.8Confident86.1Confident130 Ų13066 Ų6657%0.5733%0.329SS*.THydrogen-bonded Turntrans5037.8-175.5-47.9-58.3000114.2G49 K85 W87G49-F83 VanDerWaalsContact O-CE2 3.25Å; G49-F83 WeakPolarHBondContact O-CE2 3.15Å; F83-K85 PolarHBondContact O-N 3.38Å; F83-K85 VanDerWaalsContact O-N 3.16Å; F83-W87 AromaticContact CD2-CZ2 3.87Å; F83-W87 HydrophobicContact CD2-CZ2 3.87Å
84R91.3Very high86.5Confident188 Ų18864.2 Ų64.271%0.70931%0.313SS*.THydrogen-bonded Turntrans58.118.7-174.8-58.3-162-179.1-175.52.1116.6S68 C69 K82S68-R84 WeakPolarHBondContact CA-O 3.36Å; C69-R84 PolarHBondContact N-O 2.94Å; C69-R84 CarbonylContact O-C 3.43Å; C69-R84 WeakPolarHBondContact O-CA 3.47Å; C69-R84 WeakPolarHBondContact O-CB 3.13Å; K82-R84 PolarHBondContact O-N 3.29Å; K82-R84 VanDerWaalsContact O-N 3.11Å
85K91.7Very high86.6Confident101 Ų10161 Ų6144%0.43930%0.303SS..EExtended strand (participates in β ladder)trans-125.2154.9173.1-64.6-169.8176.4-171.30109.8P63 C69 K82 F83P63-K85 HydrophobicContact CB-CD 4.18Å; C69-K85 PolarHBondContact SG-O 2.77Å; K82-K85 PolarHBondContact N-O 3.42Å; K82-K85 PolarHBondContact O-N 2.8Å; F83-K85 PolarHBondContact O-N 3.38Å; F83-K85 VanDerWaalsContact O-N 3.16Å
86C91Very high86.2Confident0 Ų063.9 Ų63.90%033%0.327CS..EExtended strand (participates in β ladder)trans-82.6131.2170.7-61.80000109.3P63 V64 C75 Q79 V80P63-C86 CarbonylContact C-O 3.38Å; P63-C86 WeakPolarHBondContact CA-O 3.03Å; V64-C86 HydrophobicContact CB-CB 4.3Å; V64-C86 PolarHBondContact N-O 3.24Å; C75-C86 WeakPolarHBondContact CA-SG 3.23Å; C75-C86 HydrophobicContact CB-CB 3.79Å; C75-C86 WeakPolarHBondContact CB-SG 3.01Å; C75-C86 WeakPolarHBondContact SG-CA 3.45Å; C75-C86 WeakPolarHBondContact SG-CB 3.44Å; C75-C86 CovalentContact SG-SG 2.04Å; C75-C86 PolarHBondContact SG-SG 3.4Å; Q79-C86 HydrophobicContact CB-CB 4.11Å; Q79-C86 VanDerWaalsContact OE1-CB 3.27Å; V80-C86 CarbonylContact O-C 3.34Å; V80-C86 WeakPolarHBondContact O-CA 3.17Å
87W92.2Very high85.8Confident17 Ų1767 Ų676%0.06434%0.335CS..EExtended strand (participates in β ladder)trans-118.4137.2-177.6-67.676.9000110.4Q50 V52 A61 I62 P63 Q79 V80 K82 F83Q50-W87 HydrophobicContact CB-CE3 4.44Å; Q50-W87 HydrophobicContact CB-CH2 3.92Å; Q50-W87 HydrophobicContact CB-CZ3 3.57Å; Q50-W87 HydrophobicContact CG-CH2 3.54Å; Q50-W87 HydrophobicContact CG-CZ3 3.75Å; V52-W87 HydrophobicContact CG1-CB 3.91Å; A61-W87 HydrophobicContact CB-CB 4.16Å; A61-W87 HydrophobicContact CB-CE3 3.89Å; A61-W87 WeakPolarHBondContact O-CZ3 2.99Å; I62-W87 WeakPolarHBondContact O-CA 3.22Å; P63-W87 HydrophobicContact CB-CD2 4.44Å; P63-W87 HydrophobicContact CB-CE3 4.49Å; P63-W87 HydrophobicContact CB-CH2 4.39Å; P63-W87 HydrophobicContact CB-CZ2 4.36Å; P63-W87 HydrophobicContact CB-CZ3 4.45Å; P63-W87 HydrophobicContact CG-CH2 4.41Å; P63-W87 HydrophobicContact CG-CZ3 4.42Å; Q79-W87 CarbonylContact C-O 3.42Å; Q79-W87 WeakPolarHBondContact CA-O 3.31Å; V80-W87 PolarHBondContact N-O 3.12Å; V80-W87 PolarHBondContact O-N 2.74Å; K82-W87 HydrophobicContact CB-CG 4.34Å; K82-W87 VanDerWaalsContact O-CD1 3.24Å; K82-W87 PolarHBondContact O-NE1 2.57Å; F83-W87 AromaticContact CD2-CZ2 3.87Å; F83-W87 HydrophobicContact CD2-CZ2 3.87Å
88K91Very high85.9Confident86 Ų8665 Ų6537%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-123.1152.7171.363.3179.6-176.2176.80109.8A61 I62 V64 Q79 Q90A61-K88 CarbonylContact C-O 3.51Å; A61-K88 WeakPolarHBondContact CA-O 3.28Å; A61-K88 VanDerWaalsContact CB-O 3.29Å; A61-K88 WeakPolarHBondContact CB-O 2.95Å; I62-K88 HydrophobicContact CG1-CG 3.93Å; I62-K88 PolarHBondContact N-O 3.31Å; I62-K88 PolarHBondContact O-N 2.04Å; V64-K88 HydrophobicContact CG2-CD 4.13Å; V64-K88 HydrophobicContact CG2-CG 4.13Å; Q79-K88 HydrophobicContact CG-CB 4.36Å; K88-Q90 PolarHBondContact O-N 3.11Å
89P90.5Very high85.3Confident3 Ų365.7 Ų65.72%0.01933%0.327CS..EExtended strand (participates in β ladder)trans-53.1142.5174.6-25.333.8000111.8V52 A60 I94 A95 F98V52-P89 HydrophobicContact CG2-CG 3.91Å; A60-P89 WeakPolarHBondContact O-CA 3.34Å; P89-I94 HydrophobicContact CB-CB 3.99Å; P89-I94 HydrophobicContact CB-CG2 3.81Å; P89-I94 HydrophobicContact CG-CB 4.47Å; P89-I94 HydrophobicContact CG-CG2 3.85Å; P89-A95 HydrophobicContact CB-CB 4.17Å; P89-A95 HydrophobicContact CG-CB 4.49Å; P89-F98 VanDerWaalsContact CD-CG 3.46Å; P89-F98 HydrophobicContact CG-CB 3.64Å; P89-F98 HydrophobicContact CG-CD1 4.03Å; P89-F98 HydrophobicContact CG-CD2 3.28Å; P89-F98 HydrophobicContact CG-CE1 4.48Å; P89-F98 HydrophobicContact CG-CE2 3.84Å; P89-F98 HydrophobicContact CG-CG 3.38Å; P89-F98 HydrophobicContact CG-CZ 4.39Å
90Q90.8Very high84.1Confident120 Ų12065.3 Ų65.356%0.56133%0.327SS*.SBendtrans-72.6-39.7177.3-176.8179-2.500111.1A60 I62 K88 P92A60-Q90 HydrophobicContact CB-CB 4.34Å; A60-Q90 WeakPolarHBondContact O-CB 3.34Å; A60-Q90 PolarHBondContact O-N 3.38Å; I62-Q90 HydrophobicContact CG2-CB 4.1Å; I62-Q90 HydrophobicContact CG2-CG 4.01Å; K88-Q90 PolarHBondContact O-N 3.11Å; Q90-P92 VanDerWaalsContact O-CD 3.3Å; Q90-P92 WeakPolarHBondContact O-CD 3.39Å
91D86.9Confident82.6Confident74 Ų7467 Ų6740%0.39634%0.338SS..SBendtrans-68.1119.1176.2-172.1-38.1000109.6K93 I94 A95D91-K93 PolarHBondContact O-N 3.32Å; D91-K93 VanDerWaalsContact OD1-CB 3.28Å; D91-K93 WeakPolarHBondContact OD1-CB 3.41Å; D91-K93 PolarHBondContact OD1-N 3.4Å; D91-I94 HydrophobicContact CB-CB 4.19Å; D91-I94 HydrophobicContact CB-CD1 3.88Å; D91-I94 HydrophobicContact CB-CG1 3.85Å; D91-I94 PolarHBondContact O-N 2.87Å; D91-I94 VanDerWaalsContact O-N 3.16Å; D91-A95 WeakPolarHBondContact O-CB 3.46Å; D91-A95 PolarHBondContact O-N 2.02Å
92P83.3Confident81Confident104 Ų10473 Ų7368%0.67537%0.368SS*.Hα-helixtrans-57.5-32.3179.5-2534.9000114.2Q90 A96Q90-P92 VanDerWaalsContact O-CD 3.3Å; Q90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-A96 WeakPolarHBondContact O-CB 3.37Å; P92-A96 PolarHBondContact O-N 2.95Å; P92-A96 VanDerWaalsContact O-N 3.08Å
93K82.3Confident79.7Confident153 Ų15373.1 Ų73.167%0.66537%0.369SS*.Hα-helixtrans-67-43178.9-62.3-179.7178.3-179.40110.9D91D91-K93 PolarHBondContact O-N 3.32Å; D91-K93 VanDerWaalsContact OD1-CB 3.28Å; D91-K93 WeakPolarHBondContact OD1-CB 3.41Å; D91-K93 PolarHBondContact OD1-N 3.4Å
94I82.9Confident78.8Confident26 Ų2674.3 Ų74.313%0.13337%0.37CS..Hα-helixtrans-71.2-45.9177.9-54.2-177000109.2Y59 P89 D91 A96 Q97 F98Y59-I94 HydrophobicContact CD1-CD1 3.14Å; Y59-I94 HydrophobicContact CD2-CD1 4.08Å; Y59-I94 HydrophobicContact CD2-CG2 3.88Å; Y59-I94 HydrophobicContact CE1-CD1 3.28Å; Y59-I94 HydrophobicContact CE2-CD1 4.16Å; Y59-I94 HydrophobicContact CE2-CG2 4.11Å; Y59-I94 HydrophobicContact CG-CD1 3.55Å; Y59-I94 HydrophobicContact CG-CG2 4.18Å; P89-I94 HydrophobicContact CB-CB 3.99Å; P89-I94 HydrophobicContact CB-CG2 3.81Å; P89-I94 HydrophobicContact CG-CB 4.47Å; P89-I94 HydrophobicContact CG-CG2 3.85Å; D91-I94 HydrophobicContact CB-CB 4.19Å; D91-I94 HydrophobicContact CB-CD1 3.88Å; D91-I94 HydrophobicContact CB-CG1 3.85Å; D91-I94 PolarHBondContact O-N 2.87Å; D91-I94 VanDerWaalsContact O-N 3.16Å; I94-A96 PolarHBondContact O-N 3.36Å; I94-Q97 CarbonylContact O-C 3.6Å; I94-Q97 PolarHBondContact O-N 3.47Å; I94-F98 VanDerWaalsContact O-CB 3.23Å; I94-F98 WeakPolarHBondContact O-CB 3.01Å; I94-F98 PolarHBondContact O-N 3.48Å
95A83.1Confident78.4Confident25 Ų2570 Ų7021%0.20737%0.369CS..Hα-helixtrans-57-33.6179.300000113.2P89 D91 Q97P89-A95 HydrophobicContact CB-CB 4.17Å; P89-A95 HydrophobicContact CG-CB 4.49Å; D91-A95 WeakPolarHBondContact O-CB 3.46Å; D91-A95 PolarHBondContact O-N 2.02Å; A95-Q97 VanDerWaalsContact C-N 3.32Å
96A76.2Confident78.1Confident73 Ų7365.5 Ų65.560%0.60335%0.349SS*.Hα-helixtrans-68.9-27.9176.500000113.6P92 I94P92-A96 WeakPolarHBondContact O-CB 3.37Å; P92-A96 PolarHBondContact O-N 2.95Å; P92-A96 VanDerWaalsContact O-N 3.08Å; I94-A96 PolarHBondContact O-N 3.36Å
97Q73.9Confident78.1Confident129 Ų12971.4 Ų71.460%0.60339%0.386SS*.Hα-helixtrans-103.2-6.2179.4-59.4179.48.900112.3H54 I94 A95 T99H54-Q97 PolarHBondContact CE1-O 3.45Å; H54-Q97 VanDerWaalsContact CE1-O 3.27Å; I94-Q97 CarbonylContact O-C 3.6Å; I94-Q97 PolarHBondContact O-N 3.47Å; A95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-T99 PolarHBondContact O-N 3.16Å
98F75.9Confident78.1Confident4 Ų473.9 Ų73.92%0.01840%0.403CS..  trans-74.7116.9-173.1-176.4-96.7000111.1V52 H54 S78 V80 P89 I94V52-F98 HydrophobicContact CB-CE2 3.95Å; V52-F98 HydrophobicContact CB-CZ 3.85Å; V52-F98 HydrophobicContact CG1-CZ 4.37Å; V52-F98 HydrophobicContact CG2-CD2 4.34Å; V52-F98 HydrophobicContact CG2-CE2 3.49Å; V52-F98 VanDerWaalsContact CG2-CE2 3.49Å; V52-F98 HydrophobicContact CG2-CZ 3.71Å; H54-F98 HydrophobicContact CB-CD2 3.59Å; H54-F98 HydrophobicContact CB-CE2 3.77Å; H54-F98 AromaticContact CG-CD2 3.71Å; H54-F98 AromaticContact ND1-CD2 3.74Å; S78-F98 VanDerWaalsContact C-CD1 3.49Å; S78-F98 VanDerWaalsContact CA-O 3.28Å; S78-F98 WeakPolarHBondContact CA-O 3.3Å; S78-F98 WeakPolarHBondContact CB-O 3.47Å; S78-F98 VanDerWaalsContact O-CD1 3.23Å; S78-F98 WeakPolarHBondContact O-CD1 3.03Å; V80-F98 HydrophobicContact CG2-CE1 3.88Å; V80-F98 HydrophobicContact CG2-CZ 3.52Å; P89-F98 VanDerWaalsContact CD-CG 3.46Å; P89-F98 HydrophobicContact CG-CB 3.64Å; P89-F98 HydrophobicContact CG-CD1 4.03Å; P89-F98 HydrophobicContact CG-CD2 3.28Å; P89-F98 HydrophobicContact CG-CE1 4.48Å; P89-F98 HydrophobicContact CG-CE2 3.84Å; P89-F98 HydrophobicContact CG-CG 3.38Å; P89-F98 HydrophobicContact CG-CZ 4.39Å; I94-F98 VanDerWaalsContact O-CB 3.23Å; I94-F98 WeakPolarHBondContact O-CB 3.01Å; I94-F98 PolarHBondContact O-N 3.48Å
99T68.4Low78.1Confident65 Ų6571.3 Ų71.340%0.39939%0.392SS..  trans-114.4109.6167.960.20000108.5Q77 Q97 V101Q77-T99 CarbonylContact O-C 3.44Å; Q77-T99 WeakPolarHBondContact O-CA 3.44Å; Q97-T99 PolarHBondContact O-N 3.16Å; T99-V101 PolarHBondContact O-N 2.73Å
100S61.4Low78Confident12 Ų1274.9 Ų74.98%0.08442%0.417CS..  trans-62.8-18.917465.50000113.9Q72 Q77 Q79 V80 N102Q72-S100 PolarHBondContact NE2-OG 2.86Å; Q77-S100 VanDerWaalsContact C-OG 3.32Å; Q77-S100 WeakPolarHBondContact O-CB 3.31Å; Q77-S100 PolarHBondContact O-N 3.01Å; Q77-S100 PolarHBondContact O-OG 3.36Å; Q79-S100 WeakPolarHBondContact O-CB 3.28Å; Q79-S100 PolarHBondContact O-OG 3.22Å; V80-S100 VanDerWaalsContact CG2-CB 3.4Å; S100-N102 PolarHBondContact O-N 3.41Å
101V55.8Low77.8Confident40 Ų4071.9 Ų71.924%0.24241%0.405CS..  trans-89.1109.2-175.7-88.10000109Q77 T99 L103Q77-V101 HydrophobicContact CB-CG2 4.03Å; Q77-V101 HydrophobicContact CG-CG2 4.16Å; T99-V101 PolarHBondContact O-N 2.73Å; V101-L103 HydrophobicContact CB-CD2 4.11Å; V101-L103 HydrophobicContact CB-CG 4.09Å; V101-L103 HydrophobicContact CG2-CD2 3.77Å; V101-L103 HydrophobicContact CG2-CG 3.95Å; V101-L103 PolarHBondContact O-N 2.03Å
102N54.7Low77.6Confident157 Ų15768.8 Ų68.884%0.8439%0.389SS*.  trans-5891.8133.4-92.9-53.6000105.5S100 R104S100-N102 PolarHBondContact O-N 3.41Å; N102-R104 PolarHBondContact O-N 3.22Å; N102-R104 VanDerWaalsContact O-N 3.15Å
103L61.6Low77.4Confident28 Ų2870.1 Ų70.115%0.14738%0.381CS..PPolyproline II helixtrans-54.4124.3-179.1-70.1153.6000107V101 S105 K122 C123 Y124V101-L103 HydrophobicContact CB-CD2 4.11Å; V101-L103 HydrophobicContact CB-CG 4.09Å; V101-L103 HydrophobicContact CG2-CD2 3.77Å; V101-L103 HydrophobicContact CG2-CG 3.95Å; V101-L103 PolarHBondContact O-N 2.03Å; L103-S105 PolarHBondContact O-N 2.96Å; L103-S105 VanDerWaalsContact O-N 3.16Å; L103-K122 HydrophobicContact CB-CB 3.78Å; L103-K122 HydrophobicContact CB-CD 4.04Å; L103-K122 HydrophobicContact CB-CG 3.99Å; L103-K122 HydrophobicContact CD1-CB 4.22Å; L103-K122 HydrophobicContact CD1-CD 3.85Å; L103-C123 WeakPolarHBondContact CD2-O 2.98Å; L103-Y124 HydrophobicContact CD1-CD1 4.43Å; L103-Y124 HydrophobicContact CD1-CE1 3.79Å; L103-Y124 HydrophobicContact CD1-CE2 4.5Å; L103-Y124 HydrophobicContact CD2-CD1 4.26Å; L103-Y124 HydrophobicContact CD2-CE1 4.42Å
104R70Confident77.4Confident156 Ų15672.7 Ų72.759%0.58939%0.386SS*.PPolyproline II helixtrans-53.4126.1-179.6172.3177.6-109.9-127.7-4.6108.1N102 N111 K122 C123N102-R104 PolarHBondContact O-N 3.22Å; N102-R104 VanDerWaalsContact O-N 3.15Å; R104-N111 WeakPolarHBondContact CD-O 3.28Å; R104-N111 PolarHBondContact NH1-O 2.78Å; R104-K122 WeakPolarHBondContact O-CA 3.37Å; R104-C123 HydrophobicContact CB-CB 4.25Å; R104-C123 PolarHBondContact O-N 2.94Å; R104-C123 PolarHBondContact O-SG 3.26Å
105S82Confident77.4Confident98 Ų9876 Ų7669%0.68540%0.401SS*.BIsolated β-bridgetrans-64.2140174-57.30000110L103 S121L103-S105 PolarHBondContact O-N 2.96Å; L103-S105 VanDerWaalsContact O-N 3.16Å; S105-S121 CarbonylContact C-O 3.48Å; S105-S121 WeakPolarHBondContact CA-O 3.37Å
106C86.9Confident77.4Confident5 Ų576.7 Ų76.73%0.03440%0.4CS..  trans-140.6152.9179.457.40000110.5N111 C118 S121 K122 C123C106-N111 HydrophobicContact CB-CB 3.78Å; C106-C118 HydrophobicContact CB-CB 3.81Å; C106-C118 WeakPolarHBondContact CB-SG 3.15Å; C106-C118 WeakPolarHBondContact SG-CA 3.01Å; C106-C118 WeakPolarHBondContact SG-CB 3.46Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 3.06Å; C106-S121 PolarHBondContact N-O 3.42Å; C106-S121 CarbonylContact O-C 3.43Å; C106-S121 WeakPolarHBondContact O-CA 3.28Å; C106-S121 WeakPolarHBondContact O-CB 3.1Å; C106-K122 PolarHBondContact SG-N 2.67Å; C106-C123 VanDerWaalsContact CB-SG 3.56Å
107T91Very high77.9Confident125 Ų12573.2 Ų73.277%0.76737%0.371SS*.SBendtrans-109.2-26.4166.254.40000110.7N111T107-N111 PolarHBondContact N-OD1 3.32Å; T107-N111 PolarHBondContact OG1-OD1 3.03Å
108T91.6Very high78.5Confident68 Ų6867.7 Ų67.742%0.41735%0.347SS..SBendtrans-137.2161.4177.466.60000111S110 N111T108-S110 PolarHBondContact O-N 3.35Å; T108-N111 PolarHBondContact N-OD1 3.06Å; T108-N111 WeakPolarHBondContact O-CB 2.91Å; T108-N111 PolarHBondContact O-N 2.02Å; T108-N111 PolarHBondContact O-OD1 3.29Å
109H90.1Very high78.9Confident33 Ų3368 Ų6815%0.15335%0.349CS..G310 helixtrans-56.7-31.3176.4-56.8-66.4000112.6N111 C112 C118 E143 A144H109-N111 PolarHBondContact O-N 2.95Å; H109-C112 WeakPolarHBondContact O-CB 3.37Å; H109-C112 PolarHBondContact O-N 3.07Å; H109-C118 PolarHBondContact CE1-O 2.85Å; H109-C118 VanDerWaalsContact CE1-O 3.23Å; H109-C118 PolarHBondContact ND1-N 2.93Å; H109-E143 PolarHBondContact CE1-O 3.49Å; H109-E143 VanDerWaalsContact CE1-O 3.3Å; H109-E143 PolarHBondContact NE2-O 2.02Å; H109-A144 HydrophobicContact CB-CB 3.67Å
110S88.4Confident79.4Confident77 Ų7771 Ų7154%0.53836%0.362SS..G310 helixtrans-68.4-13.9178.8-42.90000114.2T108 C112 H136T108-S110 PolarHBondContact O-N 3.35Å; S110-C112 VanDerWaalsContact C-N 3.3Å; S110-H136 PolarHBondContact OG-NE2 3.27Å
111N87.5Confident80.5Confident57 Ų5774 Ų7431%0.30538%0.384SS..G310 helixtrans-78.5-19.8172.3-55.4145.1000112.7R104 C106 T107 T108 H109R104-N111 WeakPolarHBondContact CD-O 3.28Å; R104-N111 PolarHBondContact NH1-O 2.78Å; C106-N111 HydrophobicContact CB-CB 3.78Å; T107-N111 PolarHBondContact N-OD1 3.32Å; T107-N111 PolarHBondContact OG1-OD1 3.03Å; T108-N111 PolarHBondContact N-OD1 3.06Å; T108-N111 WeakPolarHBondContact O-CB 2.91Å; T108-N111 PolarHBondContact O-N 2.02Å; T108-N111 PolarHBondContact O-OD1 3.29Å; H109-N111 PolarHBondContact O-N 2.95Å
112C82.3Confident81.6Confident10 Ų1076.8 Ų76.87%0.06839%0.393CS..SBendtrans-84.1161.7179.4-55.30000111.1H109 S110 E116 C123H109-C112 WeakPolarHBondContact O-CB 3.37Å; H109-C112 PolarHBondContact O-N 3.07Å; S110-C112 VanDerWaalsContact C-N 3.3Å; C112-E116 HydrophobicContact CB-CB 3.6Å; C112-C123 WeakPolarHBondContact CA-SG 3Å; C112-C123 HydrophobicContact CB-CB 3.64Å; C112-C123 WeakPolarHBondContact CB-SG 3.25Å; C112-C123 WeakPolarHBondContact SG-CA 2.94Å; C112-C123 WeakPolarHBondContact SG-CB 3.27Å; C112-C123 CovalentContact SG-SG 2.04Å; C112-C123 PolarHBondContact SG-SG 2.78Å
113R80.2Confident82.9Confident132 Ų13269.5 Ų69.550%0.49835%0.354SS..PPolyproline II helixtrans-69.6166.2175.6-59.7173.4172.1-166.2-5.8109.2S73 Q115 E116S73-R113 PolarHBondContact OG-NH1 2.77Å; R113-Q115 PolarHBondContact O-N 2.89Å; R113-E116 HydrophobicContact CB-CG 4.23Å; R113-E116 WeakPolarHBondContact CB-OE2 3.31Å; R113-E116 PolarHBondContact N-OE2 3.45Å; R113-E116 WeakPolarHBondContact O-CB 3.28Å; R113-E116 PolarHBondContact O-N 2.86Å
114R81.3Confident83.6Confident206 Ų20669.2 Ų69.278%0.77735%0.351SS*.THydrogen-bonded Turntrans-53.7140.7172.4-69.4-171.6177.3-176.2-0.8109.3E116 W146R114-E116 PolarHBondContact O-N 3.42Å; R114-W146 HydrophobicContact CG-CE3 4.4Å; R114-W146 HydrophobicContact CG-CZ3 4.4Å
115Q82.7Confident83.9Confident97 Ų9764.5 Ų64.545%0.45334%0.34SS..THydrogen-bonded Turntrans66.613.1-177.6-52.8168-21.800114.3R113 G126 W151R113-Q115 PolarHBondContact O-N 2.89Å; Q115-G126 WeakPolarHBondContact O-CA 3.41Å; Q115-G126 PolarHBondContact O-N 3.05Å; Q115-W151 HydrophobicContact CB-CD2 4.32Å; Q115-W151 HydrophobicContact CB-CE3 3.8Å; Q115-W151 HydrophobicContact CB-CH2 4.03Å; Q115-W151 HydrophobicContact CB-CZ2 4.48Å; Q115-W151 HydrophobicContact CB-CZ3 3.65Å; Q115-W151 HydrophobicContact CG-CD2 4.42Å; Q115-W151 HydrophobicContact CG-CE3 4.2Å; Q115-W151 HydrophobicContact CG-CH2 3.63Å; Q115-W151 HydrophobicContact CG-CZ2 3.83Å; Q115-W151 HydrophobicContact CG-CZ3 3.82Å
116E83.3Confident83.8Confident38 Ų3860.2 Ų60.218%0.17831%0.31CS..EExtended strand (participates in β ladder)trans-108.2152.8169.4-67.9175.6174.800110.8C112 R113 R114 C123 Y124 W146C112-E116 HydrophobicContact CB-CB 3.6Å; R113-E116 HydrophobicContact CB-CG 4.23Å; R113-E116 WeakPolarHBondContact CB-OE2 3.31Å; R113-E116 PolarHBondContact N-OE2 3.45Å; R113-E116 WeakPolarHBondContact O-CB 3.28Å; R113-E116 PolarHBondContact O-N 2.86Å; R114-E116 PolarHBondContact O-N 3.42Å; E116-C123 HydrophobicContact CB-CB 4.48Å; E116-Y124 CarbonylContact C-O 3.56Å; E116-Y124 WeakPolarHBondContact CA-O 3.25Å; E116-Y124 WeakPolarHBondContact CB-O 3.46Å; E116-W146 PolarHBondContact O-NE1 2.86Å
117V86.7Confident83.6Confident0 Ų062.5 Ų62.50%032%0.321CS..EExtended strand (participates in β ladder)trans-124.9124.3-175.8-172.10000108.5V119 Y124 K142 A144 W151 A153V117-V119 HydrophobicContact CG1-CG2 4.03Å; V117-V119 PolarHBondContact O-N 3.17Å; V117-Y124 PolarHBondContact N-O 3.39Å; V117-Y124 PolarHBondContact O-N 3.34Å; V117-K142 WeakPolarHBondContact CG1-O 3.42Å; V117-A144 HydrophobicContact CB-CB 4.45Å; V117-A144 HydrophobicContact CG1-CB 4.21Å; V117-A144 HydrophobicContact CG2-CB 4.09Å; V117-W151 HydrophobicContact CG2-CB 4.09Å; V117-W151 WeakPolarHBondContact CG2-O 3.4Å; V117-A153 HydrophobicContact CB-CB 3.98Å; V117-A153 HydrophobicContact CG1-CB 4.31Å
118C87.1Confident83.5Confident14 Ų1459.8 Ų59.810%0.09531%0.305CS..EExtended strand (participates in β ladder)trans-70116.8171.8-171.20000110.4C106 H109C106-C118 HydrophobicContact CB-CB 3.81Å; C106-C118 WeakPolarHBondContact CB-SG 3.15Å; C106-C118 WeakPolarHBondContact SG-CA 3.01Å; C106-C118 WeakPolarHBondContact SG-CB 3.46Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 3.06Å; H109-C118 PolarHBondContact CE1-O 2.85Å; H109-C118 VanDerWaalsContact CE1-O 3.23Å; H109-C118 PolarHBondContact ND1-N 2.93Å
119V83.3Confident83.3Confident10 Ų1057.7 Ų57.76%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-133.8130.5174.2-178.60000108.2V117 S121 K122 Y124 A153V117-V119 HydrophobicContact CG1-CG2 4.03Å; V117-V119 PolarHBondContact O-N 3.17Å; V119-S121 PolarHBondContact O-N 3.02Å; V119-K122 PolarHBondContact N-O 2.77Å; V119-K122 PolarHBondContact O-N 3.47Å; V119-Y124 HydrophobicContact CB-CD2 3.87Å; V119-Y124 HydrophobicContact CB-CE2 4.03Å; V119-Y124 HydrophobicContact CG2-CD2 4.44Å; V119-Y124 WeakPolarHBondContact O-CE2 3.31Å; V119-A153 HydrophobicContact CG2-CB 3.56Å
120N80.4Confident83.1Confident127 Ų12764.1 Ų64.168%0.67933%0.328SS*.THydrogen-bonded Turntrans48.445.8179.4-58.9-26.5000112.9K122N120-K122 PolarHBondContact O-N 3.23Å
121S83.3Confident83.2Confident76 Ų7663.7 Ų63.753%0.53132%0.322SS..THydrogen-bonded Turntrans6221.5-178.3-540000116.3S105 C106 V119S105-S121 CarbonylContact C-O 3.48Å; S105-S121 WeakPolarHBondContact CA-O 3.37Å; C106-S121 PolarHBondContact N-O 3.42Å; C106-S121 CarbonylContact O-C 3.43Å; C106-S121 WeakPolarHBondContact O-CA 3.28Å; C106-S121 WeakPolarHBondContact O-CB 3.1Å; V119-S121 PolarHBondContact O-N 3.02Å
122K79.6Confident83.5Confident99 Ų9968.8 Ų68.843%0.4334%0.344SS..EExtended strand (participates in β ladder)trans-132.2139.7177.3-72.3179.9178.7-176.30111.2L103 R104 C106 V119 N120 Y124L103-K122 HydrophobicContact CB-CB 3.78Å; L103-K122 HydrophobicContact CB-CD 4.04Å; L103-K122 HydrophobicContact CB-CG 3.99Å; L103-K122 HydrophobicContact CD1-CB 4.22Å; L103-K122 HydrophobicContact CD1-CD 3.85Å; R104-K122 WeakPolarHBondContact O-CA 3.37Å; C106-K122 PolarHBondContact SG-N 2.67Å; V119-K122 PolarHBondContact N-O 2.77Å; V119-K122 PolarHBondContact O-N 3.47Å; N120-K122 PolarHBondContact O-N 3.23Å; K122-Y124 HydrophobicContact CB-CD2 4.39Å; K122-Y124 HydrophobicContact CB-CE2 3.71Å; K122-Y124 VanDerWaalsContact O-CD2 3.28Å; K122-Y124 WeakPolarHBondContact O-CD2 3.43Å
123C82.7Confident84.2Confident4 Ų468.9 Ų68.93%0.02735%0.345CS..EExtended strand (participates in β ladder)trans-83.5114177.2-64.70000111.5L103 R104 C106 C112 E116L103-C123 WeakPolarHBondContact CD2-O 2.98Å; R104-C123 HydrophobicContact CB-CB 4.25Å; R104-C123 PolarHBondContact O-N 2.94Å; R104-C123 PolarHBondContact O-SG 3.26Å; C106-C123 VanDerWaalsContact CB-SG 3.56Å; C112-C123 WeakPolarHBondContact CA-SG 3Å; C112-C123 HydrophobicContact CB-CB 3.64Å; C112-C123 WeakPolarHBondContact CB-SG 3.25Å; C112-C123 WeakPolarHBondContact SG-CA 2.94Å; C112-C123 WeakPolarHBondContact SG-CB 3.27Å; C112-C123 CovalentContact SG-SG 2.04Å; C112-C123 PolarHBondContact SG-SG 2.78Å; E116-C123 HydrophobicContact CB-CB 4.48Å
124Y76.3Confident84.8Confident22 Ų2268.2 Ų68.29%0.08636%0.36CS..EExtended strand (participates in β ladder)trans-102.1144174.2-67.2-95.3000110.1L103 E116 V117 V119 K122 G126 A153L103-Y124 HydrophobicContact CD1-CD1 4.43Å; L103-Y124 HydrophobicContact CD1-CE1 3.79Å; L103-Y124 HydrophobicContact CD1-CE2 4.5Å; L103-Y124 HydrophobicContact CD2-CD1 4.26Å; L103-Y124 HydrophobicContact CD2-CE1 4.42Å; E116-Y124 CarbonylContact C-O 3.56Å; E116-Y124 WeakPolarHBondContact CA-O 3.25Å; E116-Y124 WeakPolarHBondContact CB-O 3.46Å; V117-Y124 PolarHBondContact N-O 3.39Å; V117-Y124 PolarHBondContact O-N 3.34Å; V119-Y124 HydrophobicContact CB-CD2 3.87Å; V119-Y124 HydrophobicContact CB-CE2 4.03Å; V119-Y124 HydrophobicContact CG2-CD2 4.44Å; V119-Y124 WeakPolarHBondContact O-CE2 3.31Å; K122-Y124 HydrophobicContact CB-CD2 4.39Å; K122-Y124 HydrophobicContact CB-CE2 3.71Å; K122-Y124 VanDerWaalsContact O-CD2 3.28Å; K122-Y124 WeakPolarHBondContact O-CD2 3.43Å; Y124-G126 PolarHBondContact O-N 3.21Å; Y124-A153 HydrophobicContact CG-CB 4.5Å
125T75.8Confident85.3Confident57 Ų5762 Ų6235%0.3534%0.343SS..EExtended strand (participates in β ladder)trans-55134166-58.30000109Q77 K154Q77-T125 VanDerWaalsContact NE2-N 3.13Å; Q77-T125 PolarHBondContact NE2-OG1 2.93Å; T125-K154 WeakPolarHBondContact O-CA 3.48Å; T125-K154 WeakPolarHBondContact O-CB 3Å; T125-K154 PolarHBondContact O-N 3.31Å
126G79.8Confident85.8Confident7 Ų759.8 Ų59.87%0.07233%0.332CS..EExtended strand (participates in β ladder)trans-96.8169.5177.300000112.6Q115 Y124 W151 K152Q115-G126 WeakPolarHBondContact O-CA 3.41Å; Q115-G126 PolarHBondContact O-N 3.05Å; Y124-G126 PolarHBondContact O-N 3.21Å; G126-W151 VanDerWaalsContact C-CE3 3.46Å; G126-K152 CarbonylContact C-O 3.37Å; G126-K152 WeakPolarHBondContact CA-O 3.37Å
127E82.2Confident86.1Confident53 Ų5362.2 Ų62.225%0.24836%0.359CS..EExtended strand (participates in β ladder)trans-127.1143.1163.860-174.8-17600109.6W151 K152E127-W151 CarbonylContact O-C 3.57Å; E127-W151 WeakPolarHBondContact O-CA 3.45Å; E127-K152 HydrophobicContact CG-CD 4.45Å; E127-K152 HydrophobicContact CG-CG 3.73Å; E127-K152 PolarHBondContact N-O 3.25Å; E127-K152 PolarHBondContact O-N 3.17Å; E127-K152 WeakPolarHBondContact OE1-CE 3.12Å; E127-K152 IonicContact OE1-NZ 3.46Å; E127-K152 PolarHBondContact OE1-NZ 2.94Å
128P89.1Confident86.4Confident69 Ų6965.8 Ų65.845%0.44838%0.378SS..EExtended strand (participates in β ladder)trans-68.4145.9-178.430.1-33.3000110.2L149 W151P128-L149 HydrophobicContact CB-CD1 4.32Å; P128-W151 HydrophobicContact CB-CD2 4.17Å; P128-W151 HydrophobicContact CB-CH2 4.33Å; P128-W151 HydrophobicContact CB-CZ2 3.91Å; P128-W151 HydrophobicContact CG-CH2 4.19Å; P128-W151 HydrophobicContact CG-CZ2 4.23Å; P128-W151 HydrophobicContact CG-CZ3 4.49Å
129T87Confident86.6Confident23 Ų2365.9 Ų65.914%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-103.7172.3168.269.80000109.3T131 C150 K152T129-T131 PolarHBondContact O-N 3.41Å; T129-T131 PolarHBondContact OG1-N 2.83Å; T129-C150 WeakPolarHBondContact CB-O 3.37Å; T129-C150 WeakPolarHBondContact CG2-O 3.47Å; T129-C150 PolarHBondContact N-O 2.81Å; T129-C150 WeakPolarHBondContact OG1-CB 3.43Å; T129-C150 PolarHBondContact OG1-O 3.18Å; T129-K152 HydrophobicContact CG2-CB 4.18Å; T129-K152 HydrophobicContact CG2-CD 4.03Å; T129-K152 HydrophobicContact CG2-CG 4.04Å
130D87.2Confident86.8Confident169 Ų16970.4 Ų70.490%0.90440%0.402SS*.EExtended strand (participates in β ladder)trans-80.43.9174.3-58.3-40.1000113
131T89.7Confident86.8Confident68 Ų6870 Ų7042%0.41741%0.409SS..EExtended strand (participates in β ladder)trans-89.4121.8-179.3-55.10000110.3T129 L149 C150T129-T131 PolarHBondContact O-N 3.41Å; T129-T131 PolarHBondContact OG1-N 2.83Å; T131-L149 CarbonylContact O-C 3.52Å; T131-L149 WeakPolarHBondContact O-CA 3.4Å; T131-C150 PolarHBondContact O-N 3.04Å
132E94.1Very high86.6Confident163 Ų16372.7 Ų72.776%0.76241%0.411SS*.EExtended strand (participates in β ladder)trans-76.3148.9173.8-65-177.3167.800111.6G148 L149E132-G148 CarbonylContact C-O 3.44Å; E132-G148 VanDerWaalsContact CA-O 3.28Å; E132-G148 WeakPolarHBondContact CA-O 2.96Å; E132-L149 HydrophobicContact CG-CD2 4.2Å
133C95.6Very high87.2Confident13 Ų1369.1 Ų69.19%0.08840%0.396CS..  trans-150.6152179.661.30000111.9D138 C145 G148 L149 C150C133-D138 HydrophobicContact CB-CB 3.8Å; C133-C145 HydrophobicContact CB-CB 3.7Å; C133-C145 WeakPolarHBondContact CB-SG 3.3Å; C133-C145 PolarHBondContact O-SG 3.27Å; C133-C145 WeakPolarHBondContact SG-CA 3.23Å; C133-C145 WeakPolarHBondContact SG-CB 3.23Å; C133-C145 CovalentContact SG-SG 2.02Å; C133-C145 PolarHBondContact SG-SG 3.21Å; C133-G148 PolarHBondContact N-O 3.15Å; C133-G148 CarbonylContact O-C 3.48Å; C133-G148 WeakPolarHBondContact O-CA 3.09Å; C133-L149 PolarHBondContact SG-O 3.41Å; C133-C150 VanDerWaalsContact CB-SG 3.59Å; C133-C150 PolarHBondContact SG-N 3.05Å
134S93.8Very high87.6Confident117 Ų11769 Ų6982%0.81840%0.395SS*.SBendtrans-101.6-29.7169.3-63.40000111.8D138S134-D138 WeakPolarHBondContact CA-OD2 3.43Å; S134-D138 WeakPolarHBondContact CB-OD2 3.35Å; S134-D138 PolarHBondContact N-OD2 3.25Å
135N92.5Very high88.5Confident76 Ų7668.5 Ų68.541%0.40640%0.395SS..SBendtrans-146.3168-179.371.978.9000111.3A137 D138 C145N135-A137 PolarHBondContact O-N 3.27Å; N135-A137 WeakPolarHBondContact OD1-CA 3.5Å; N135-A137 WeakPolarHBondContact OD1-CB 3.29Å; N135-A137 PolarHBondContact OD1-N 2.97Å; N135-D138 PolarHBondContact N-OD2 2.81Å; N135-D138 PolarHBondContact ND2-OD1 3.08Å; N135-D138 PolarHBondContact ND2-OD2 2.87Å; N135-D138 VanDerWaalsContact ND2-OD2 3.07Å; N135-D138 WeakPolarHBondContact O-CB 3.16Å; N135-D138 PolarHBondContact O-N 3.22Å; N135-D138 VanDerWaalsContact O-N 3.16Å; N135-C145 WeakPolarHBondContact O-CB 3.42Å
136H92Very high89.2Confident50 Ų5067.8 Ų67.823%0.23139%0.386CS..G310 helixtrans-63.2-24.8-175.8-57.2-45.8000114.3S110 D138 C139 C145 W146S110-H136 PolarHBondContact OG-NE2 3.27Å; H136-D138 VanDerWaalsContact C-N 3.26Å; H136-D138 PolarHBondContact O-N 2.76Å; H136-C139 PolarHBondContact O-N 3.48Å; H136-C145 PolarHBondContact CE1-O 3.08Å; H136-C145 PolarHBondContact ND1-N 2.8Å; H136-C145 VanDerWaalsContact ND1-N 3.14Å; H136-C145 PolarHBondContact ND1-O 3.31Å; H136-W146 AromaticContact CE1-CH2 3.84Å; H136-W146 AromaticContact CE1-CZ2 3.81Å
137A90.7Very high89.7Confident89 Ų8972.6 Ų72.674%0.73642%0.418SS*.G310 helixtrans-76.7-13.4179.100000113.2N135 C139N135-A137 PolarHBondContact O-N 3.27Å; N135-A137 WeakPolarHBondContact OD1-CA 3.5Å; N135-A137 WeakPolarHBondContact OD1-CB 3.29Å; N135-A137 PolarHBondContact OD1-N 2.97Å; A137-C139 PolarHBondContact O-N 3.16Å
138D92.5Very high90.2Very high76 Ų7671.9 Ų71.941%0.40643%0.425SS..G310 helixtrans-75.4-15.5173.9-52.9-25.8000111.7C133 S134 N135 H136C133-D138 HydrophobicContact CB-CB 3.8Å; S134-D138 WeakPolarHBondContact CA-OD2 3.43Å; S134-D138 WeakPolarHBondContact CB-OD2 3.35Å; S134-D138 PolarHBondContact N-OD2 3.25Å; N135-D138 PolarHBondContact N-OD2 2.81Å; N135-D138 PolarHBondContact ND2-OD1 3.08Å; N135-D138 PolarHBondContact ND2-OD2 2.87Å; N135-D138 VanDerWaalsContact ND2-OD2 3.07Å; N135-D138 WeakPolarHBondContact O-CB 3.16Å; N135-D138 PolarHBondContact O-N 3.22Å; N135-D138 VanDerWaalsContact O-N 3.16Å; H136-D138 VanDerWaalsContact C-N 3.26Å; H136-D138 PolarHBondContact O-N 2.76Å
139C90.9Very high90.3Very high16 Ų1671.5 Ų71.511%0.10842%0.419CS..SBendtrans-97.3165-178.7-550000112.2H136 A137 E143 C150H136-C139 PolarHBondContact O-N 3.48Å; A137-C139 PolarHBondContact O-N 3.16Å; C139-E143 HydrophobicContact CB-CB 3.6Å; C139-C150 WeakPolarHBondContact CA-SG 3.42Å; C139-C150 HydrophobicContact CB-CB 3.73Å; C139-C150 WeakPolarHBondContact CB-SG 3.27Å; C139-C150 WeakPolarHBondContact SG-CA 2.97Å; C139-C150 WeakPolarHBondContact SG-CB 3.45Å; C139-C150 CovalentContact SG-SG 2.03Å; C139-C150 PolarHBondContact SG-SG 3.48Å
140N88.3Confident90.6Very high105 Ų10570.4 Ų70.456%0.56141%0.412SS*.  trans-63.4161.8175.7-64.9-59.4000112K142 E143N140-K142 PolarHBondContact O-N 2.84Å; N140-E143 HydrophobicContact CB-CG 4.17Å; N140-E143 PolarHBondContact N-OE2 2.81Å; N140-E143 VanDerWaalsContact N-OE2 3.1Å; N140-E143 PolarHBondContact ND2-OE1 2.81Å; N140-E143 PolarHBondContact ND2-OE2 2.83Å; N140-E143 WeakPolarHBondContact O-CB 3.46Å; N140-E143 PolarHBondContact O-N 3.14Å
141S78.8Confident90.8Very high117 Ų11764 Ų6482%0.81838%0.375SS*.THydrogen-bonded Turntrans-54.9-14-175.561.30000116.8
142K80.7Confident90.8Very high134 Ų13465.3 Ų65.358%0.58338%0.375SS*.THydrogen-bonded Turntrans-121.125178.6-61.9-178-177.6175.70112.4V117 N140V117-K142 WeakPolarHBondContact CG1-O 3.42Å; N140-K142 PolarHBondContact O-N 2.84Å
143E91.1Very high90Very high24 Ų2458.3 Ų58.311%0.11235%0.346CS..EExtended strand (participates in β ladder)trans-128.4157.9-177.4-68.1174-178.100110.8H109 C139 N140 W151 K152H109-E143 PolarHBondContact CE1-O 3.49Å; H109-E143 VanDerWaalsContact CE1-O 3.3Å; H109-E143 PolarHBondContact NE2-O 2.02Å; C139-E143 HydrophobicContact CB-CB 3.6Å; N140-E143 HydrophobicContact CB-CG 4.17Å; N140-E143 PolarHBondContact N-OE2 2.81Å; N140-E143 VanDerWaalsContact N-OE2 3.1Å; N140-E143 PolarHBondContact ND2-OE1 2.81Å; N140-E143 PolarHBondContact ND2-OE2 2.83Å; N140-E143 WeakPolarHBondContact O-CB 3.46Å; N140-E143 PolarHBondContact O-N 3.14Å; E143-W151 CarbonylContact C-O 3.57Å; E143-W151 WeakPolarHBondContact CA-O 3.23Å; E143-W151 WeakPolarHBondContact CB-O 3.15Å; E143-K152 HydrophobicContact CG-CB 3.78Å
144A91.3Very high88.8Confident0 Ų062.6 Ų62.60%036%0.362CS..EExtended strand (participates in β ladder)trans-132.3132.7177.500000110.7H109 V117 W146 W151H109-A144 HydrophobicContact CB-CB 3.67Å; V117-A144 HydrophobicContact CB-CB 4.45Å; V117-A144 HydrophobicContact CG1-CB 4.21Å; V117-A144 HydrophobicContact CG2-CB 4.09Å; A144-W146 PolarHBondContact O-N 3.17Å; A144-W151 PolarHBondContact N-O 2.85Å; A144-W151 WeakPolarHBondContact O-CB 3.2Å; A144-W151 PolarHBondContact O-N 3.07Å
145C94.5Very high87.2Confident12 Ų1259.5 Ų59.58%0.08134%0.335CS..EExtended strand (participates in β ladder)trans-69.5119.2171.9-169.70000112.4C133 N135 H136 L149C133-C145 HydrophobicContact CB-CB 3.7Å; C133-C145 WeakPolarHBondContact CB-SG 3.3Å; C133-C145 PolarHBondContact O-SG 3.27Å; C133-C145 WeakPolarHBondContact SG-CA 3.23Å; C133-C145 WeakPolarHBondContact SG-CB 3.23Å; C133-C145 CovalentContact SG-SG 2.02Å; C133-C145 PolarHBondContact SG-SG 3.21Å; N135-C145 WeakPolarHBondContact O-CB 3.42Å; H136-C145 PolarHBondContact CE1-O 3.08Å; H136-C145 PolarHBondContact ND1-N 2.8Å; H136-C145 VanDerWaalsContact ND1-N 3.14Å; H136-C145 PolarHBondContact ND1-O 3.31Å; C145-L149 WeakPolarHBondContact CA-O 3.49Å
146W91.5Very high85.2Confident43 Ų4358.1 Ų58.116%0.16333%0.334CS..EExtended strand (participates in β ladder)trans-139.3127.3172.5-60.6114.2000110.9R114 E116 H136 A144 G148 L149 W151R114-W146 HydrophobicContact CG-CE3 4.4Å; R114-W146 HydrophobicContact CG-CZ3 4.4Å; E116-W146 PolarHBondContact O-NE1 2.86Å; H136-W146 AromaticContact CE1-CH2 3.84Å; H136-W146 AromaticContact CE1-CZ2 3.81Å; A144-W146 PolarHBondContact O-N 3.17Å; W146-G148 VanDerWaalsContact C-N 3.25Å; W146-G148 PolarHBondContact O-N 3.4Å; W146-L149 PolarHBondContact N-O 3.28Å; W146-L149 PolarHBondContact O-N 2.9Å; W146-W151 HydrophobicContact CB-CG 4.28Å; W146-W151 PolarHBondContact O-NE1 2.92Å
147S89.8Confident83.3Confident108 Ų10859.7 Ų59.776%0.75535%0.345SS*.THydrogen-bonded Turntrans56.336.2179.1-55.50000114L149S147-L149 VanDerWaalsContact C-N 3.35Å
148G92.3Very high81.4Confident37 Ų3759.1 Ų59.138%0.38133%0.329SS..THydrogen-bonded Turntrans86.1-0.8176.900000115.3E132 C133 W146E132-G148 CarbonylContact C-O 3.44Å; E132-G148 VanDerWaalsContact CA-O 3.28Å; E132-G148 WeakPolarHBondContact CA-O 2.96Å; C133-G148 PolarHBondContact N-O 3.15Å; C133-G148 CarbonylContact O-C 3.48Å; C133-G148 WeakPolarHBondContact O-CA 3.09Å; W146-G148 VanDerWaalsContact C-N 3.25Å; W146-G148 PolarHBondContact O-N 3.4Å
149L92.8Very high80Confident62 Ų6257.8 Ų57.833%0.32533%0.334SS..EExtended strand (participates in β ladder)trans-124.3148.1179.7-67173.4000110.8P128 T131 E132 C133 C145 W146 S147P128-L149 HydrophobicContact CB-CD1 4.32Å; T131-L149 CarbonylContact O-C 3.52Å; T131-L149 WeakPolarHBondContact O-CA 3.4Å; E132-L149 HydrophobicContact CG-CD2 4.2Å; C133-L149 PolarHBondContact SG-O 3.41Å; C145-L149 WeakPolarHBondContact CA-O 3.49Å; W146-L149 PolarHBondContact N-O 3.28Å; W146-L149 PolarHBondContact O-N 2.9Å; S147-L149 VanDerWaalsContact C-N 3.35Å
150C92.9Very high79.5Confident0 Ų057.7 Ų57.70%033%0.333CS..EExtended strand (participates in β ladder)trans-74.7131.7170-680000109.4T129 T131 C133 C139T129-C150 WeakPolarHBondContact CB-O 3.37Å; T129-C150 WeakPolarHBondContact CG2-O 3.47Å; T129-C150 PolarHBondContact N-O 2.81Å; T129-C150 WeakPolarHBondContact OG1-CB 3.43Å; T129-C150 PolarHBondContact OG1-O 3.18Å; T131-C150 PolarHBondContact O-N 3.04Å; C133-C150 VanDerWaalsContact CB-SG 3.59Å; C133-C150 PolarHBondContact SG-N 3.05Å; C139-C150 WeakPolarHBondContact CA-SG 3.42Å; C139-C150 HydrophobicContact CB-CB 3.73Å; C139-C150 WeakPolarHBondContact CB-SG 3.27Å; C139-C150 WeakPolarHBondContact SG-CA 2.97Å; C139-C150 WeakPolarHBondContact SG-CB 3.45Å; C139-C150 CovalentContact SG-SG 2.03Å; C139-C150 PolarHBondContact SG-SG 3.48Å
151W91.5Very high79.4Confident34 Ų3459.2 Ų59.213%0.12935%0.346CS..EExtended strand (participates in β ladder)trans-110.9127.2175.9-69.661000108.7Q115 V117 G126 E127 P128 E143 A144 W146Q115-W151 HydrophobicContact CB-CD2 4.32Å; Q115-W151 HydrophobicContact CB-CE3 3.8Å; Q115-W151 HydrophobicContact CB-CH2 4.03Å; Q115-W151 HydrophobicContact CB-CZ2 4.48Å; Q115-W151 HydrophobicContact CB-CZ3 3.65Å; Q115-W151 HydrophobicContact CG-CD2 4.42Å; Q115-W151 HydrophobicContact CG-CE3 4.2Å; Q115-W151 HydrophobicContact CG-CH2 3.63Å; Q115-W151 HydrophobicContact CG-CZ2 3.83Å; Q115-W151 HydrophobicContact CG-CZ3 3.82Å; V117-W151 HydrophobicContact CG2-CB 4.09Å; V117-W151 WeakPolarHBondContact CG2-O 3.4Å; G126-W151 VanDerWaalsContact C-CE3 3.46Å; E127-W151 CarbonylContact O-C 3.57Å; E127-W151 WeakPolarHBondContact O-CA 3.45Å; P128-W151 HydrophobicContact CB-CD2 4.17Å; P128-W151 HydrophobicContact CB-CH2 4.33Å; P128-W151 HydrophobicContact CB-CZ2 3.91Å; P128-W151 HydrophobicContact CG-CH2 4.19Å; P128-W151 HydrophobicContact CG-CZ2 4.23Å; P128-W151 HydrophobicContact CG-CZ3 4.49Å; E143-W151 CarbonylContact C-O 3.57Å; E143-W151 WeakPolarHBondContact CA-O 3.23Å; E143-W151 WeakPolarHBondContact CB-O 3.15Å; A144-W151 PolarHBondContact N-O 2.85Å; A144-W151 WeakPolarHBondContact O-CB 3.2Å; A144-W151 PolarHBondContact O-N 3.07Å; W146-W151 HydrophobicContact CB-CG 4.28Å; W146-W151 PolarHBondContact O-NE1 2.92Å
152K88.6Confident79.9Confident95 Ų9555.8 Ų55.841%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-94.3146.4172.267-174.3-171.9-179.50109.7G126 E127 T129 E143 K154G126-K152 CarbonylContact C-O 3.37Å; G126-K152 WeakPolarHBondContact CA-O 3.37Å; E127-K152 HydrophobicContact CG-CD 4.45Å; E127-K152 HydrophobicContact CG-CG 3.73Å; E127-K152 PolarHBondContact N-O 3.25Å; E127-K152 PolarHBondContact O-N 3.17Å; E127-K152 WeakPolarHBondContact OE1-CE 3.12Å; E127-K152 IonicContact OE1-NZ 3.46Å; E127-K152 PolarHBondContact OE1-NZ 2.94Å; T129-K152 HydrophobicContact CG2-CB 4.18Å; T129-K152 HydrophobicContact CG2-CD 4.03Å; T129-K152 HydrophobicContact CG2-CG 4.04Å; E143-K152 HydrophobicContact CG-CB 3.78Å; K152-K154 PolarHBondContact O-N 2.98Å
153A78.8Confident80.2Confident17 Ų1752.4 Ų52.414%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-62.1123.6178.700000110.5V117 V119 Y124 Q155V117-A153 HydrophobicContact CB-CB 3.98Å; V117-A153 HydrophobicContact CG1-CB 4.31Å; V119-A153 HydrophobicContact CG2-CB 3.56Å; Y124-A153 HydrophobicContact CG-CB 4.5Å; A153-Q155 HydrophobicContact CB-CG 4.16Å; A153-Q155 PolarHBondContact O-N 3.18Å
154K69.6Low79.8Confident102 Ų10257.8 Ų57.844%0.44334%0.338SS..  trans-71.979.4161.6-168.1172.9-172.51610107.1T125 K152 A156T125-K154 WeakPolarHBondContact O-CA 3.48Å; T125-K154 WeakPolarHBondContact O-CB 3Å; T125-K154 PolarHBondContact O-N 3.31Å; K152-K154 PolarHBondContact O-N 2.98Å; K154-A156 PolarHBondContact O-N 2.91Å
155Q59.5Low79.3Confident53 Ų5361.6 Ų61.625%0.24836%0.358CS..  trans-59.6124.5180-69.7-71.4-51.800107.6A153 N157A153-Q155 HydrophobicContact CB-CG 4.16Å; A153-Q155 PolarHBondContact O-N 3.18Å; Q155-N157 HydrophobicContact CB-CB 3.9Å; Q155-N157 PolarHBondContact O-N 3.44Å; Q155-N157 PolarHBondContact OE1-ND2 2.9Å
156A51.6Low78.6Confident47 Ų4761.2 Ų61.239%0.38836%0.356SS..  trans-72.517.6160.300000111.2K154 N158K154-A156 PolarHBondContact O-N 2.91Å; A156-N158 VanDerWaalsContact C-N 3.33Å; A156-N158 PolarHBondContact O-N 2.67Å
157N51.6Low77.8Confident83 Ų8362.8 Ų62.844%0.44437%0.367SS..  trans-68.4102.5172.1-73.9-19.7000105.9Q155 G159Q155-N157 HydrophobicContact CB-CB 3.9Å; Q155-N157 PolarHBondContact O-N 3.44Å; Q155-N157 PolarHBondContact OE1-ND2 2.9Å; N157-G159 PolarHBondContact O-N 2.97Å; N157-G159 VanDerWaalsContact O-N 3.15Å
158N51.4Low77.5Confident76 Ų7659.8 Ų59.841%0.40635%0.353SS..  trans-52.9-24.9157.6-75.9-5.6000110A156 C160 G175 V176 C177A156-N158 VanDerWaalsContact C-N 3.33Å; A156-N158 PolarHBondContact O-N 2.67Å; N158-C160 PolarHBondContact O-N 3.16Å; N158-G175 CarbonylContact C-O 3.48Å; N158-V176 HydrophobicContact CB-CG1 4.2Å; N158-V176 CarbonylContact O-C 3.48Å; N158-V176 WeakPolarHBondContact O-CA 3.02Å; N158-C177 PolarHBondContact O-N 2.73Å
159G63.2Low77.1Confident49 Ų4960.9 Ų60.951%0.50535%0.35SS..  trans-39.7120.5165.800000115.2N157 G175N157-G159 PolarHBondContact O-N 2.97Å; N157-G159 VanDerWaalsContact O-N 3.15Å; G159-G175 CarbonylContact C-O 3.49Å; G159-G175 WeakPolarHBondContact CA-O 3.23Å; G159-G175 PolarHBondContact N-O 3.07Å
160C80.5Confident76.8Confident14 Ų1461 Ų6110%0.09535%0.348CS..  trans-143.3160171.260.10000110.7N158 D165 C172 G175 V176N158-C160 PolarHBondContact O-N 3.16Å; C160-D165 HydrophobicContact CB-CB 3.88Å; C160-C172 HydrophobicContact CB-CB 3.59Å; C160-C172 WeakPolarHBondContact CB-SG 3.27Å; C160-C172 PolarHBondContact O-SG 3.44Å; C160-C172 WeakPolarHBondContact SG-CA 3.33Å; C160-C172 WeakPolarHBondContact SG-CB 3.46Å; C160-C172 CovalentContact SG-SG 2.02Å; C160-C172 PolarHBondContact SG-SG 2.85Å; C160-G175 PolarHBondContact N-O 3.42Å; C160-G175 VanDerWaalsContact N-O 3.08Å; C160-G175 VanDerWaalsContact O-CA 3.27Å; C160-G175 WeakPolarHBondContact O-CA 3.45Å; C160-V176 PolarHBondContact SG-N 2.86Å
161T85Confident76.5Confident136 Ų13661.2 Ų61.283%0.83435%0.349SS*.SBendtrans-121.9-26.2173.457.90000111.5D165T161-D165 WeakPolarHBondContact CA-OD2 3.45Å; T161-D165 PolarHBondContact N-OD2 2.9Å; T161-D165 PolarHBondContact OG1-OD2 3.29Å
162S88.6Confident76.3Confident45 Ų4560.3 Ų60.332%0.31535%0.348SS..SBendtrans-135.1162.5177.179.20000110.4D164 D165 C172S162-D164 PolarHBondContact O-N 3.15Å; S162-D164 PolarHBondContact OG-N 2.93Å; S162-D165 PolarHBondContact N-OD2 2.81Å; S162-D165 WeakPolarHBondContact O-CB 3.34Å; S162-D165 PolarHBondContact O-N 3.02Å; S162-D165 PolarHBondContact OG-OD1 3.26Å; S162-D165 PolarHBondContact OG-OD2 2.76Å; S162-C172 VanDerWaalsContact C-CB 3.45Å; S162-C172 WeakPolarHBondContact O-CB 3.43Å
163H87.4Confident76.1Confident64 Ų6457.6 Ų57.630%0.29634%0.341SS..G310 helixtrans-62.9-25.6175.7-60.7-43.1000112.7D165 C166 L171 C172 K199H163-D165 VanDerWaalsContact C-N 3.26Å; H163-D165 PolarHBondContact O-N 3.03Å; H163-C166 PolarHBondContact O-N 2.68Å; H163-L171 HydrophobicContact CB-CD2 3.81Å; H163-C172 PolarHBondContact CE1-O 2.89Å; H163-C172 PolarHBondContact ND1-N 3.09Å; H163-C172 PolarHBondContact ND1-O 2.71Å; H163-C172 VanDerWaalsContact ND1-O 3.17Å; H163-K199 WeakPolarHBondContact O-CE 3.48Å; H163-K199 PolarHBondContact O-NZ 2.77Å
164D84.2Confident76.3Confident137 Ų13766.1 Ų66.173%0.73338%0.378SS*.G310 helixtrans-72.4-20.5-179.6-64.5-30.1000113.1S162 C166S162-D164 PolarHBondContact O-N 3.15Å; S162-D164 PolarHBondContact OG-N 2.93Å; D164-C166 PolarHBondContact O-N 3.11Å
165D80.9Confident76.7Confident80 Ų8062.7 Ų62.743%0.42837%0.371SS..G310 helixtrans-68.3-16.7174.8-57.5-27.3000112.3C160 T161 S162 H163C160-D165 HydrophobicContact CB-CB 3.88Å; T161-D165 WeakPolarHBondContact CA-OD2 3.45Å; T161-D165 PolarHBondContact N-OD2 2.9Å; T161-D165 PolarHBondContact OG1-OD2 3.29Å; S162-D165 PolarHBondContact N-OD2 2.81Å; S162-D165 WeakPolarHBondContact O-CB 3.34Å; S162-D165 PolarHBondContact O-N 3.02Å; S162-D165 PolarHBondContact OG-OD1 3.26Å; S162-D165 PolarHBondContact OG-OD2 2.76Å; H163-D165 VanDerWaalsContact C-N 3.26Å; H163-D165 PolarHBondContact O-N 3.03Å
166C78.2Confident77.4Confident4 Ų462.7 Ų62.73%0.02737%0.374CS..SBendtrans-95.3130.5-175.8-59.80000112.1H163 D164 K170 C172 C177 K199H163-C166 PolarHBondContact O-N 2.68Å; D164-C166 PolarHBondContact O-N 3.11Å; C166-K170 HydrophobicContact CB-CB 3.7Å; C166-C172 PolarHBondContact SG-N 2.79Å; C166-C172 VanDerWaalsContact SG-N 3.42Å; C166-C177 WeakPolarHBondContact CA-SG 3.45Å; C166-C177 HydrophobicContact CB-CB 3.67Å; C166-C177 WeakPolarHBondContact CB-SG 3.14Å; C166-C177 WeakPolarHBondContact SG-CA 3.23Å; C166-C177 WeakPolarHBondContact SG-CB 3.28Å; C166-C177 CovalentContact SG-SG 2.03Å; C166-C177 PolarHBondContact SG-SG 3.22Å; C166-K199 PolarHBondContact O-NZ 2.94Å
167D76.2Confident78.8Confident76 Ų7661.5 Ų61.541%0.40636%0.363SS..SBendtrans-62.5142.6177.8-64-22.5000112.9K170D167-K170 WeakPolarHBondContact O-CB 3.49Å; D167-K170 PolarHBondContact O-N 2.74Å
168G82.3Confident80.2Confident44 Ų4460.7 Ų60.745%0.45436%0.358SS..THydrogen-bonded Turntrans60.2-135.6172.400000113.3K170 K199 L200G168-K170 PolarHBondContact O-N 3.16Å; G168-K199 WeakPolarHBondContact O-CE 3.05Å; G168-K199 PolarHBondContact O-NZ 2.8Å; G168-L200 WeakPolarHBondContact O-CD1 2.93Å
169L85Confident81.7Confident60 Ų6062.6 Ų62.631%0.31437%0.365SS..THydrogen-bonded Turntrans-87.722.6-178.2-62.4173.5000113.2A180 L200 I204L169-A180 WeakPolarHBondContact O-CB 2.98Å; L169-L200 HydrophobicContact CD2-CB 4.28Å; L169-L200 HydrophobicContact CD2-CD1 4.13Å; L169-I204 HydrophobicContact CB-CD1 4.41Å; L169-I204 HydrophobicContact CD2-CG2 4.25Å; L169-I204 WeakPolarHBondContact O-CD1 3.39Å
170K86Confident82.7Confident66 Ų6661.2 Ų61.229%0.28735%0.348SS..  trans-83.4154.4176.5-69.4173.3-177.8168.60111.8C166 D167 G168 C177 L178 E179 K199C166-K170 HydrophobicContact CB-CB 3.7Å; D167-K170 WeakPolarHBondContact O-CB 3.49Å; D167-K170 PolarHBondContact O-N 2.74Å; G168-K170 PolarHBondContact O-N 3.16Å; K170-C177 HydrophobicContact CB-CB 4.41Å; K170-C177 HydrophobicContact CD-CB 4.34Å; K170-L178 CarbonylContact C-O 3.48Å; K170-L178 WeakPolarHBondContact CA-O 3.12Å; K170-L178 VanDerWaalsContact CB-O 3.28Å; K170-L178 WeakPolarHBondContact CB-O 3.44Å; K170-E179 WeakPolarHBondContact CE-OE1 2.98Å; K170-E179 IonicContact NZ-OE1 3.88Å; K170-K199 PolarHBondContact O-NZ 2.97Å
171L87Confident82.6Confident3 Ų364 Ų642%0.01637%0.365CS..EExtended strand (participates in β ladder)trans-121.6136.9175.6-67.3-179.3000111.2H163 L178 A180 V197 K199 I204 I206H163-L171 HydrophobicContact CB-CD2 3.81Å; L171-L178 PolarHBondContact N-O 3.37Å; L171-L178 PolarHBondContact O-N 2.93Å; L171-A180 HydrophobicContact CD1-CB 4.08Å; L171-A180 HydrophobicContact CG-CB 3.98Å; L171-V197 HydrophobicContact CD1-CG2 3.68Å; L171-V197 HydrophobicContact CD2-CG2 3.33Å; L171-V197 HydrophobicContact CG-CG2 4.16Å; L171-K199 HydrophobicContact CD2-CD 4.06Å; L171-I204 HydrophobicContact CD1-CD1 4.27Å; L171-I204 HydrophobicContact CD1-CG1 4.14Å; L171-I204 HydrophobicContact CD2-CD1 3.55Å; L171-I204 HydrophobicContact CD2-CG1 3.96Å; L171-I204 HydrophobicContact CG-CD1 3.75Å; L171-I204 HydrophobicContact CG-CG1 4.16Å; L171-I206 HydrophobicContact CB-CG1 3.91Å; L171-I206 HydrophobicContact CD1-CG1 4.17Å
172C86.3Confident81.9Confident16 Ų1661.3 Ų61.311%0.10835%0.345CS..EExtended strand (participates in β ladder)trans-68.1129.1170.8-172.40000112.5C160 S162 H163 C166C160-C172 HydrophobicContact CB-CB 3.59Å; C160-C172 WeakPolarHBondContact CB-SG 3.27Å; C160-C172 PolarHBondContact O-SG 3.44Å; C160-C172 WeakPolarHBondContact SG-CA 3.33Å; C160-C172 WeakPolarHBondContact SG-CB 3.46Å; C160-C172 CovalentContact SG-SG 2.02Å; C160-C172 PolarHBondContact SG-SG 2.85Å; S162-C172 VanDerWaalsContact C-CB 3.45Å; S162-C172 WeakPolarHBondContact O-CB 3.43Å; H163-C172 PolarHBondContact CE1-O 2.89Å; H163-C172 PolarHBondContact ND1-N 3.09Å; H163-C172 PolarHBondContact ND1-O 2.71Å; H163-C172 VanDerWaalsContact ND1-O 3.17Å; C166-C172 PolarHBondContact SG-N 2.79Å; C166-C172 VanDerWaalsContact SG-N 3.42Å
173S85.3Confident80.6Confident38 Ų3861.4 Ų61.427%0.26635%0.349SS..EExtended strand (participates in β ladder)trans-146.3124.4173.2-163.30000109.3G175 V176 I206S173-G175 PolarHBondContact O-N 3.26Å; S173-G175 VanDerWaalsContact O-N 3.14Å; S173-V176 PolarHBondContact N-O 3.33Å; S173-V176 WeakPolarHBondContact O-CA 3.25Å; S173-V176 WeakPolarHBondContact O-CB 3.14Å; S173-V176 PolarHBondContact O-N 3.34Å; S173-V176 VanDerWaalsContact O-O 3.12Å; S173-I206 VanDerWaalsContact CB-CD1 3.45Å; S173-I206 WeakPolarHBondContact OG-CD1 2.88Å
174E81.9Confident80.2Confident196 Ų19663.7 Ų63.792%0.91636%0.362SS*.THydrogen-bonded Turntrans53.336179.7-57.8-176.716400113.6V176E174-V176 VanDerWaalsContact C-N 3.25Å; E174-V176 PolarHBondContact O-N 3.26Å
175G78.1Confident80.5Confident29 Ų2962.9 Ų62.930%0.29936%0.362SS..THydrogen-bonded Turntrans73.615.1-176.400000114.5N158 G159 C160 S173N158-G175 CarbonylContact C-O 3.48Å; G159-G175 CarbonylContact C-O 3.49Å; G159-G175 WeakPolarHBondContact CA-O 3.23Å; G159-G175 PolarHBondContact N-O 3.07Å; C160-G175 PolarHBondContact N-O 3.42Å; C160-G175 VanDerWaalsContact N-O 3.08Å; C160-G175 VanDerWaalsContact O-CA 3.27Å; C160-G175 WeakPolarHBondContact O-CA 3.45Å; S173-G175 PolarHBondContact O-N 3.26Å; S173-G175 VanDerWaalsContact O-N 3.14Å
176V74.4Confident81.1Confident53 Ų5359.4 Ų59.432%0.32134%0.344SS..EExtended strand (participates in β ladder)trans-122128.9178.3-179.80000111.1N158 C160 S173 E174 L178N158-V176 HydrophobicContact CB-CG1 4.2Å; N158-V176 CarbonylContact O-C 3.48Å; N158-V176 WeakPolarHBondContact O-CA 3.02Å; C160-V176 PolarHBondContact SG-N 2.86Å; S173-V176 PolarHBondContact N-O 3.33Å; S173-V176 WeakPolarHBondContact O-CA 3.25Å; S173-V176 WeakPolarHBondContact O-CB 3.14Å; S173-V176 PolarHBondContact O-N 3.34Å; S173-V176 VanDerWaalsContact O-O 3.12Å; E174-V176 VanDerWaalsContact C-N 3.25Å; E174-V176 PolarHBondContact O-N 3.26Å; V176-L178 HydrophobicContact CB-CD2 4.45Å; V176-L178 HydrophobicContact CG1-CD2 3.7Å; V176-L178 HydrophobicContact CG1-CG 4.3Å; V176-L178 PolarHBondContact O-N 2.76Å
177C81.7Confident81.9Confident23 Ų2367 Ų6716%0.15538%0.384CS..EExtended strand (participates in β ladder)trans-74.8107.8169.6-68.50000111.6N158 C166 K170N158-C177 PolarHBondContact O-N 2.73Å; C166-C177 WeakPolarHBondContact CA-SG 3.45Å; C166-C177 HydrophobicContact CB-CB 3.67Å; C166-C177 WeakPolarHBondContact CB-SG 3.14Å; C166-C177 WeakPolarHBondContact SG-CA 3.23Å; C166-C177 WeakPolarHBondContact SG-CB 3.28Å; C166-C177 CovalentContact SG-SG 2.03Å; C166-C177 PolarHBondContact SG-SG 3.22Å; K170-C177 HydrophobicContact CB-CB 4.41Å; K170-C177 HydrophobicContact CD-CB 4.34Å
178L79.7Confident82.7Confident65 Ų6565.3 Ų65.334%0.3438%0.381SS..EExtended strand (participates in β ladder)trans-101.3148.8-180-59.6177.8000111.3K170 L171 V176 I206K170-L178 CarbonylContact C-O 3.48Å; K170-L178 WeakPolarHBondContact CA-O 3.12Å; K170-L178 VanDerWaalsContact CB-O 3.28Å; K170-L178 WeakPolarHBondContact CB-O 3.44Å; L171-L178 PolarHBondContact N-O 3.37Å; L171-L178 PolarHBondContact O-N 2.93Å; V176-L178 HydrophobicContact CB-CD2 4.45Å; V176-L178 HydrophobicContact CG1-CD2 3.7Å; V176-L178 HydrophobicContact CG1-CG 4.3Å; V176-L178 PolarHBondContact O-N 2.76Å; L178-I206 HydrophobicContact CB-CG2 3.88Å; L178-I206 HydrophobicContact CD1-CD1 4.35Å; L178-I206 HydrophobicContact CD1-CG2 3.61Å; L178-I206 HydrophobicContact CG-CG2 4.41Å
179E83.5Confident83.1Confident117 Ų11767.9 Ų67.955%0.54739%0.385SS..  trans-58.5146169.7-66-61.7153.600110.2K170 A207K170-E179 WeakPolarHBondContact CE-OE1 2.98Å; K170-E179 IonicContact NZ-OE1 3.88Å; E179-A207 HydrophobicContact CB-CB 4.12Å; E179-A207 WeakPolarHBondContact O-CB 3.33Å; E179-A207 PolarHBondContact O-N 2.93Å
180A84.1Confident83.5Confident19 Ų1971.1 Ų71.116%0.15741%0.407CS..EExtended strand (participates in β ladder)trans-121.1152.8177.700000111.5L169 L171 I204 K205L169-A180 WeakPolarHBondContact O-CB 2.98Å; L171-A180 HydrophobicContact CD1-CB 4.08Å; L171-A180 HydrophobicContact CG-CB 3.98Å; A180-I204 HydrophobicContact CB-CB 3.88Å; A180-I204 HydrophobicContact CB-CD1 3.85Å; A180-I204 HydrophobicContact CB-CG1 4.28Å; A180-K205 CarbonylContact C-O 3.57Å; A180-K205 WeakPolarHBondContact CA-O 3.03Å; A180-K205 VanDerWaalsContact CB-O 3.23Å; A180-K205 WeakPolarHBondContact CB-O 3Å
181V78.8Confident83.8Confident74 Ų7472 Ų7245%0.44842%0.415SS..EExtended strand (participates in β ladder)trans-125.3167.5174.6-64.70000108.7I204 K205 A207V181-I204 CarbonylContact O-C 3.51Å; V181-K205 HydrophobicContact CG2-CG 4.22Å; V181-K205 PolarHBondContact N-O 2.93Å; V181-K205 WeakPolarHBondContact O-CG 3.3Å; V181-K205 PolarHBondContact O-N 3.44Å; V181-A207 HydrophobicContact CG1-CB 3.71Å; V181-A207 HydrophobicContact CG2-CB 4.43Å
182L70.7Confident83.9Confident78 Ų7872.6 Ų72.641%0.40842%0.419SS..EExtended strand (participates in β ladder)trans80.9139.1-169.4-153.573.4000112.7A196 C203 I204 K205L182-A196 HydrophobicContact CD2-CB 3.96Å; L182-C203 CarbonylContact C-O 3.52Å; L182-C203 WeakPolarHBondContact CB-O 3.1Å; L182-I204 WeakPolarHBondContact O-CA 3Å; L182-I204 WeakPolarHBondContact O-CG2 3.43Å; L182-K205 HydrophobicContact CB-CG 4.25Å
183A61.8Low83.9Confident48 Ų4879.1 Ų79.140%0.39745%0.452SS..EExtended strand (participates in β ladder)trans-163.257.2-170.700000112.4C203A183-C203 PolarHBondContact N-O 3.14Å; A183-C203 VanDerWaalsContact N-O 3.17Å
184I78.6Confident83.7Confident111 Ų11182.3 Ų82.357%0.56947%0.474SS*.EExtended strand (participates in β ladder)trans-82.9146.6163.1-61.1172.2000107.3R202 C203I184-R202 CarbonylContact O-C 3.55Å; I184-R202 VanDerWaalsContact O-CA 3.28Å; I184-R202 WeakPolarHBondContact O-CA 3.42Å; I184-C203 HydrophobicContact CB-CB 4.49Å; I184-C203 PolarHBondContact O-N 2.77Å
185T90.2Very high83.8Confident120 Ų12077.5 Ų77.574%0.73646%0.46SS*.EExtended strand (participates in β ladder)trans-66.7143.5177.349.70000111.7G201T185-G201 VanDerWaalsContact CA-O 3.31Å; T185-G201 WeakPolarHBondContact CA-O 3.28Å
186C94.2Very high84.3Confident8 Ų876.5 Ų76.55%0.05445%0.449CS..  trans-148.4158.8176.257.70000111.3D191 C198 G201 R202 C203C186-D191 HydrophobicContact CB-CB 3.78Å; C186-C198 HydrophobicContact CB-CB 3.84Å; C186-C198 WeakPolarHBondContact CB-SG 3.38Å; C186-C198 PolarHBondContact O-SG 3.04Å; C186-C198 WeakPolarHBondContact SG-CA 3.41Å; C186-C198 WeakPolarHBondContact SG-CB 3.05Å; C186-C198 CovalentContact SG-SG 2.02Å; C186-C198 PolarHBondContact SG-SG 3.49Å; C186-G201 PolarHBondContact N-O 2.77Å; C186-G201 CarbonylContact O-C 3.55Å; C186-G201 WeakPolarHBondContact O-CA 3.2Å; C186-G201 VanDerWaalsContact SG-C 3.58Å; C186-R202 PolarHBondContact SG-N 2.79Å; C186-R202 VanDerWaalsContact SG-N 3.38Å; C186-C203 WeakPolarHBondContact CB-SG 3.16Å; C186-C203 PolarHBondContact SG-N 3.17Å
187N94.7Very high85.1Confident162 Ų16275.1 Ų75.187%0.86644%0.441SS*.SBendtrans-107.5-29.3168.9-59.6-60.4000111.2D191N187-D191 WeakPolarHBondContact CA-OD2 2.97Å; N187-D191 PolarHBondContact N-OD2 3.05Å
188A92.9Very high85.6Confident42 Ų4275.3 Ų75.335%0.34744%0.442SS..SBendtrans-142162.7179.900000112.2T190 D191 C198A188-T190 PolarHBondContact O-N 3.33Å; A188-T190 VanDerWaalsContact O-N 3.16Å; A188-D191 PolarHBondContact N-OD2 2.03Å; A188-D191 WeakPolarHBondContact O-CB 3.01Å; A188-D191 PolarHBondContact O-N 3.2Å; A188-C198 WeakPolarHBondContact O-CB 2.94Å
189N91Very high86.1Confident98 Ų9873 Ų7352%0.52443%0.429SS..G310 helixtrans-57.5-29.2176.8-70.3-16.4000112.9D191 C192 C198N189-D191 PolarHBondContact O-N 2.86Å; N189-C192 WeakPolarHBondContact O-CB 3Å; N189-C192 PolarHBondContact O-N 3.01Å; N189-C192 VanDerWaalsContact O-N 3.08Å; N189-C198 WeakPolarHBondContact OD1-CB 3.28Å; N189-C198 PolarHBondContact OD1-N 2.87Å
190T92.8Very high86.4Confident127 Ų12773.3 Ų73.378%0.77943%0.434SS*.G310 helixtrans-65.6-20.3177.249.30000113.5A188 C192A188-T190 PolarHBondContact O-N 3.33Å; A188-T190 VanDerWaalsContact O-N 3.16Å; T190-C192 PolarHBondContact O-N 3.23Å
191D91.9Very high86.7Confident85 Ų8574.2 Ų74.246%0.45545%0.445SS..G310 helixtrans-77.7-12175.9-52.7-27.8000111.5C186 N187 A188 N189C186-D191 HydrophobicContact CB-CB 3.78Å; N187-D191 WeakPolarHBondContact CA-OD2 2.97Å; N187-D191 PolarHBondContact N-OD2 3.05Å; A188-D191 PolarHBondContact N-OD2 2.03Å; A188-D191 WeakPolarHBondContact O-CB 3.01Å; A188-D191 PolarHBondContact O-N 3.2Å; N189-D191 PolarHBondContact O-N 2.86Å
192C89.2Confident87.3Confident16 Ų1675.9 Ų75.911%0.10844%0.443CS..SBendtrans-100.4135.8-174-56.20000111.9N189 T190 S194 A196 C203N189-C192 WeakPolarHBondContact O-CB 3Å; N189-C192 PolarHBondContact O-N 3.01Å; N189-C192 VanDerWaalsContact O-N 3.08Å; T190-C192 PolarHBondContact O-N 3.23Å; C192-S194 PolarHBondContact O-N 2.04Å; C192-A196 HydrophobicContact CB-CB 4.01Å; C192-A196 WeakPolarHBondContact CB-O 3.27Å; C192-C203 WeakPolarHBondContact CA-SG 3.37Å; C192-C203 HydrophobicContact CB-CB 3.74Å; C192-C203 WeakPolarHBondContact CB-SG 3.46Å; C192-C203 WeakPolarHBondContact SG-CA 3.47Å; C192-C203 WeakPolarHBondContact SG-CB 3.47Å; C192-C203 CovalentContact SG-SG 2.04Å; C192-C203 PolarHBondContact SG-SG 2.85Å
193L85.4Confident88.3Confident152 Ų15272.3 Ų72.380%0.79643%0.425SS*.PPolyproline II helixtrans-70.2124170.4-17567.3000109.5A196L193-A196 VanDerWaalsContact O-CB 3.27Å; L193-A196 WeakPolarHBondContact O-CB 3.4Å; L193-A196 PolarHBondContact O-N 2.02Å
194S82.5Confident89.6Confident105 Ų10570.1 Ų70.173%0.73441%0.406SS*.THydrogen-bonded Turntrans-51.7134.4175.8-175.40000111.2C192C192-S194 PolarHBondContact O-N 2.04Å
195P83.7Confident90.1Very high96 Ų9668.8 Ų68.862%0.62340%0.396SS*.THydrogen-bonded Turncis-96.523.511.939.4-37.7000114.7K205P195-K205 HydrophobicContact CG-CD 4.48Å
196A87.5Confident89.7Confident8 Ų865.5 Ų65.57%0.06637%0.373CS..  trans-75.6151.3178.900000112.3L182 C192 L193 C203 I204 K205L182-A196 HydrophobicContact CD2-CB 3.96Å; C192-A196 HydrophobicContact CB-CB 4.01Å; C192-A196 WeakPolarHBondContact CB-O 3.27Å; L193-A196 VanDerWaalsContact O-CB 3.27Å; L193-A196 WeakPolarHBondContact O-CB 3.4Å; L193-A196 PolarHBondContact O-N 2.02Å; A196-C203 HydrophobicContact CB-CB 4.36Å; A196-I204 CarbonylContact C-O 3.57Å; A196-I204 VanDerWaalsContact CA-O 3.25Å; A196-I204 WeakPolarHBondContact CA-O 2.99Å; A196-I204 WeakPolarHBondContact CB-O 3.38Å; A196-K205 HydrophobicContact CB-CB 4.08Å
197V91.4Very high88.8Confident24 Ų2466.8 Ų66.815%0.14539%0.385CS..EExtended strand (participates in β ladder)trans-124.9151.5176.6-61.50000109.7L171 K199 C203 I204L171-V197 HydrophobicContact CD1-CG2 3.68Å; L171-V197 HydrophobicContact CD2-CG2 3.33Å; L171-V197 HydrophobicContact CG-CG2 4.16Å; V197-K199 PolarHBondContact O-N 3.18Å; V197-C203 WeakPolarHBondContact O-CA 3.32Å; V197-I204 HydrophobicContact CG2-CG1 4.42Å; V197-I204 PolarHBondContact N-O 2.04Å; V197-I204 PolarHBondContact O-N 3.21Å
198C93.3Very high87.4Confident26 Ų2664.1 Ų64.118%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-84.8112.1179-169.80000110.2C186 A188 N189C186-C198 HydrophobicContact CB-CB 3.84Å; C186-C198 WeakPolarHBondContact CB-SG 3.38Å; C186-C198 PolarHBondContact O-SG 3.04Å; C186-C198 WeakPolarHBondContact SG-CA 3.41Å; C186-C198 WeakPolarHBondContact SG-CB 3.05Å; C186-C198 CovalentContact SG-SG 2.02Å; C186-C198 PolarHBondContact SG-SG 3.49Å; A188-C198 WeakPolarHBondContact O-CB 2.94Å; N189-C198 WeakPolarHBondContact OD1-CB 3.28Å; N189-C198 PolarHBondContact OD1-N 2.87Å
199K90.8Very high85.6Confident17 Ų1769.6 Ų69.67%0.07440%0.395CS..EExtended strand (participates in β ladder)trans-137.3132.8177.4-176.2171.6179.6-173.30110.5H163 C166 G168 K170 L171 V197 G201 R202 I204H163-K199 WeakPolarHBondContact O-CE 3.48Å; H163-K199 PolarHBondContact O-NZ 2.77Å; C166-K199 PolarHBondContact O-NZ 2.94Å; G168-K199 WeakPolarHBondContact O-CE 3.05Å; G168-K199 PolarHBondContact O-NZ 2.8Å; K170-K199 PolarHBondContact O-NZ 2.97Å; L171-K199 HydrophobicContact CD2-CD 4.06Å; V197-K199 PolarHBondContact O-N 3.18Å; K199-G201 PolarHBondContact O-N 2.86Å; K199-R202 PolarHBondContact N-O 2.93Å; K199-R202 PolarHBondContact O-N 3.22Å; K199-R202 VanDerWaalsContact O-O 3.06Å; K199-I204 HydrophobicContact CB-CD1 3.71Å; K199-I204 HydrophobicContact CB-CG1 3.96Å; K199-I204 HydrophobicContact CD-CD1 4.02Å; K199-I204 HydrophobicContact CG-CD1 4.24Å
200L89Confident84Confident124 Ų12467.6 Ų67.665%0.64939%0.387SS*.THydrogen-bonded Turntrans51.839.8-175.7-59.9174.7000112.6G168 L169 R202G168-L200 WeakPolarHBondContact O-CD1 2.93Å; L169-L200 HydrophobicContact CD2-CB 4.28Å; L169-L200 HydrophobicContact CD2-CD1 4.13Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 2.83Å
201G91.4Very high82.8Confident37 Ų3767.4 Ų67.438%0.38138%0.377SS..THydrogen-bonded Turntrans71.415.1-179.200000114.9T185 C186 K199T185-G201 VanDerWaalsContact CA-O 3.31Å; T185-G201 WeakPolarHBondContact CA-O 3.28Å; C186-G201 PolarHBondContact N-O 2.77Å; C186-G201 CarbonylContact O-C 3.55Å; C186-G201 WeakPolarHBondContact O-CA 3.2Å; C186-G201 VanDerWaalsContact SG-C 3.58Å; K199-G201 PolarHBondContact O-N 2.86Å
202R90.8Very high82.3Confident110 Ų11063.5 Ų63.542%0.41536%0.357SS..EExtended strand (participates in β ladder)trans-132.6133.2-176.5-55.7177.587.8176.62.8111.4I184 C186 K199 L200 I204I184-R202 CarbonylContact O-C 3.55Å; I184-R202 VanDerWaalsContact O-CA 3.28Å; I184-R202 WeakPolarHBondContact O-CA 3.42Å; C186-R202 PolarHBondContact SG-N 2.79Å; C186-R202 VanDerWaalsContact SG-N 3.38Å; K199-R202 PolarHBondContact N-O 2.93Å; K199-R202 PolarHBondContact O-N 3.22Å; K199-R202 VanDerWaalsContact O-O 3.06Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 2.83Å; R202-I204 HydrophobicContact CB-CG2 4.16Å; R202-I204 PolarHBondContact O-N 3.11Å
203C91.5Very high82.1Confident3 Ų368 Ų682%0.0238%0.384CS..EExtended strand (participates in β ladder)trans-72.8106.4170.5-70.60000109.6L182 A183 I184 C186 C192 A196 V197L182-C203 CarbonylContact C-O 3.52Å; L182-C203 WeakPolarHBondContact CB-O 3.1Å; A183-C203 PolarHBondContact N-O 3.14Å; A183-C203 VanDerWaalsContact N-O 3.17Å; I184-C203 HydrophobicContact CB-CB 4.49Å; I184-C203 PolarHBondContact O-N 2.77Å; C186-C203 WeakPolarHBondContact CB-SG 3.16Å; C186-C203 PolarHBondContact SG-N 3.17Å; C192-C203 WeakPolarHBondContact CA-SG 3.37Å; C192-C203 HydrophobicContact CB-CB 3.74Å; C192-C203 WeakPolarHBondContact CB-SG 3.46Å; C192-C203 WeakPolarHBondContact SG-CA 3.47Å; C192-C203 WeakPolarHBondContact SG-CB 3.47Å; C192-C203 CovalentContact SG-SG 2.04Å; C192-C203 PolarHBondContact SG-SG 2.85Å; A196-C203 HydrophobicContact CB-CB 4.36Å; V197-C203 WeakPolarHBondContact O-CA 3.32Å
204I89.3Confident82.2Confident2 Ų266.7 Ų66.71%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-121.3147.6-177.658162.5000109.6L169 L171 A180 V181 L182 A196 V197 K199 R202L169-I204 HydrophobicContact CB-CD1 4.41Å; L169-I204 HydrophobicContact CD2-CG2 4.25Å; L169-I204 WeakPolarHBondContact O-CD1 3.39Å; L171-I204 HydrophobicContact CD1-CD1 4.27Å; L171-I204 HydrophobicContact CD1-CG1 4.14Å; L171-I204 HydrophobicContact CD2-CD1 3.55Å; L171-I204 HydrophobicContact CD2-CG1 3.96Å; L171-I204 HydrophobicContact CG-CD1 3.75Å; L171-I204 HydrophobicContact CG-CG1 4.16Å; A180-I204 HydrophobicContact CB-CB 3.88Å; A180-I204 HydrophobicContact CB-CD1 3.85Å; A180-I204 HydrophobicContact CB-CG1 4.28Å; V181-I204 CarbonylContact O-C 3.51Å; L182-I204 WeakPolarHBondContact O-CA 3Å; L182-I204 WeakPolarHBondContact O-CG2 3.43Å; A196-I204 CarbonylContact C-O 3.57Å; A196-I204 VanDerWaalsContact CA-O 3.25Å; A196-I204 WeakPolarHBondContact CA-O 2.99Å; A196-I204 WeakPolarHBondContact CB-O 3.38Å; V197-I204 HydrophobicContact CG2-CG1 4.42Å; V197-I204 PolarHBondContact N-O 2.04Å; V197-I204 PolarHBondContact O-N 3.21Å; K199-I204 HydrophobicContact CB-CD1 3.71Å; K199-I204 HydrophobicContact CB-CG1 3.96Å; K199-I204 HydrophobicContact CD-CD1 4.02Å; K199-I204 HydrophobicContact CG-CD1 4.24Å; R202-I204 HydrophobicContact CB-CG2 4.16Å; R202-I204 PolarHBondContact O-N 3.11Å
205K87.8Confident82.5Confident82 Ų8264.1 Ų64.136%0.35735%0.348SS..EExtended strand (participates in β ladder)trans-132152.7173.363.4177.9-178.1176.80109.4A180 V181 L182 P195 A196 A207A180-K205 CarbonylContact C-O 3.57Å; A180-K205 WeakPolarHBondContact CA-O 3.03Å; A180-K205 VanDerWaalsContact CB-O 3.23Å; A180-K205 WeakPolarHBondContact CB-O 3Å; V181-K205 HydrophobicContact CG2-CG 4.22Å; V181-K205 PolarHBondContact N-O 2.93Å; V181-K205 WeakPolarHBondContact O-CG 3.3Å; V181-K205 PolarHBondContact O-N 3.44Å; L182-K205 HydrophobicContact CB-CG 4.25Å; P195-K205 HydrophobicContact CG-CD 4.48Å; A196-K205 HydrophobicContact CB-CB 4.08Å; K205-A207 PolarHBondContact O-N 2.03Å
206I83.5Confident82.6Confident51 Ų5163.1 Ų63.126%0.26235%0.347SS..EExtended strand (participates in β ladder)trans-52.4130.1-179.9-64.8159.2000109.7L171 S173 L178 S208L171-I206 HydrophobicContact CB-CG1 3.91Å; L171-I206 HydrophobicContact CD1-CG1 4.17Å; S173-I206 VanDerWaalsContact CB-CD1 3.45Å; S173-I206 WeakPolarHBondContact OG-CD1 2.88Å; L178-I206 HydrophobicContact CB-CG2 3.88Å; L178-I206 HydrophobicContact CD1-CD1 4.35Å; L178-I206 HydrophobicContact CD1-CG2 3.61Å; L178-I206 HydrophobicContact CG-CG2 4.41Å; I206-S208 VanDerWaalsContact C-N 3.27Å; I206-S208 PolarHBondContact O-N 3.08Å
207A73.7Confident82.5Confident35 Ų3565.9 Ų65.929%0.28936%0.361SS..  trans-62.190.6174.400000108.2E179 V181 K205 K209E179-A207 HydrophobicContact CB-CB 4.12Å; E179-A207 WeakPolarHBondContact O-CB 3.33Å; E179-A207 PolarHBondContact O-N 2.93Å; V181-A207 HydrophobicContact CG1-CB 3.71Å; V181-A207 HydrophobicContact CG2-CB 4.43Å; K205-A207 PolarHBondContact O-N 2.03Å; A207-K209 PolarHBondContact O-N 3.29Å
208S65.1Low82.1Confident106 Ų10665 Ų6574%0.74136%0.356SS*.  trans-66.4108.2169.9-57.30000106.2I206 P210I206-S208 VanDerWaalsContact C-N 3.27Å; I206-S208 PolarHBondContact O-N 3.08Å; S208-P210 WeakPolarHBondContact O-CD 3.48Å
209K56.6Low81.4Confident158 Ų15868 Ų6869%0.68738%0.375SS*.  trans-62.4128.8170.2-170.2-174176.8-179.10107A207 Q211A207-K209 PolarHBondContact O-N 3.29Å; K209-Q211 PolarHBondContact O-N 2.79Å
210P57.6Low81Confident55 Ų5569.9 Ų69.936%0.35740%0.399SS..  trans-46119.7162.2-18.221000107.8S208 C212 E228S208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-C212 PolarHBondContact O-N 2.83Å; P210-E228 HydrophobicContact CB-CB 3.88Å; P210-E228 HydrophobicContact CB-CG 4.26Å; P210-E228 WeakPolarHBondContact CB-OE2 3.37Å; P210-E228 VanDerWaalsContact CG-OE2 3.23Å; P210-E228 WeakPolarHBondContact CG-OE2 3.36Å
211Q66.6Low80.8Confident124 Ų12468 Ų6858%0.57939%0.39SS*.SBendtrans-67.7-24.3175.1-64.7-65.6-62.700110K209 E228K209-Q211 PolarHBondContact O-N 2.79Å; Q211-E228 WeakPolarHBondContact CA-O 3.08Å; Q211-E228 VanDerWaalsContact CB-O 3.31Å; Q211-E228 WeakPolarHBondContact CB-O 3.37Å; Q211-E228 PolarHBondContact N-O 3.05Å
212C81.3Confident80.7Confident3 Ų370.2 Ų70.22%0.0239%0.389CS..  trans-157.4153.1179.456.10000111.3P210 D217 C218 C224 E228P210-C212 PolarHBondContact O-N 2.83Å; C212-D217 HydrophobicContact CB-CB 3.77Å; C212-C218 VanDerWaalsContact CB-SG 3.52Å; C212-C224 HydrophobicContact CB-CB 3.61Å; C212-C224 WeakPolarHBondContact CB-SG 3.1Å; C212-C224 PolarHBondContact O-SG 2.85Å; C212-C224 WeakPolarHBondContact SG-CA 3.44Å; C212-C224 WeakPolarHBondContact SG-CB 3.34Å; C212-C224 CovalentContact SG-SG 2.02Å; C212-C224 PolarHBondContact SG-SG 3.22Å; C212-E228 PolarHBondContact N-O 3.21Å; C212-E228 WeakPolarHBondContact O-CB 3.36Å; C212-E228 PolarHBondContact SG-O 2.78Å; C212-E228 VanDerWaalsContact SG-O 3.41Å
213T84.9Confident80.6Confident110 Ų11065 Ų6568%0.67537%0.369SS*.SBendtrans-113.4-23.7168.859.20000111.7D217T213-D217 WeakPolarHBondContact CA-OD2 3.49Å; T213-D217 PolarHBondContact N-OD2 2.89Å; T213-D217 PolarHBondContact OG1-OD2 3.26Å
214K87.8Confident80.5Confident125 Ų12565.3 Ų65.354%0.54337%0.371SS..SBendtrans-139.2158.6175.854.6-179.7176.9-174.70109.8A216 D217K214-A216 HydrophobicContact CD-CB 4.19Å; K214-A216 HydrophobicContact CG-CB 4.25Å; K214-A216 PolarHBondContact O-N 3.46Å; K214-A216 VanDerWaalsContact O-N 3.07Å; K214-D217 WeakPolarHBondContact CE-OD1 3.01Å; K214-D217 VanDerWaalsContact CG-CG 3.43Å; K214-D217 VanDerWaalsContact CG-OD1 3.27Å; K214-D217 WeakPolarHBondContact CG-OD1 3.4Å; K214-D217 VanDerWaalsContact CG-OD2 3.28Å; K214-D217 WeakPolarHBondContact CG-OD2 3.45Å; K214-D217 PolarHBondContact N-OD2 3.22Å; K214-D217 WeakPolarHBondContact O-CB 3.4Å; K214-D217 PolarHBondContact O-N 2.04Å
215H89.6Confident80.6Confident51 Ų5166.7 Ų66.724%0.23638%0.379CS..G310 helixtrans-59.5-25.6-179.5-51.6-62.4000113.5D217 C218 L223 C224 V250 K252H215-D217 PolarHBondContact O-N 3.17Å; H215-C218 PolarHBondContact O-N 2.7Å; H215-L223 HydrophobicContact CB-CD2 4.09Å; H215-C224 PolarHBondContact CE1-O 2.83Å; H215-C224 PolarHBondContact ND1-N 3.35Å; H215-C224 PolarHBondContact ND1-O 3.41Å; H215-C224 VanDerWaalsContact ND1-O 3.12Å; H215-V250 WeakPolarHBondContact NE2-CG1 3.42Å; H215-K252 HydrophobicContact CB-CD 4.37Å; H215-K252 WeakPolarHBondContact O-CD 3.2Å; H215-K252 WeakPolarHBondContact O-CE 3.48Å; H215-K252 PolarHBondContact O-NZ 3.46Å
216A84.3Confident80.5Confident74 Ų7468.6 Ų68.661%0.61240%0.402SS*.G310 helixtrans-68.1-19.7175.700000113.9K214 C218K214-A216 HydrophobicContact CD-CB 4.19Å; K214-A216 HydrophobicContact CG-CB 4.25Å; K214-A216 PolarHBondContact O-N 3.46Å; K214-A216 VanDerWaalsContact O-N 3.07Å; A216-C218 VanDerWaalsContact C-N 3.27Å
217D85.4Confident80.6Confident66 Ų6672.9 Ų72.935%0.35342%0.421SS..G310 helixtrans-76.1-20.3177.8-56.4-25.5000111.6C212 T213 K214 H215C212-D217 HydrophobicContact CB-CB 3.77Å; T213-D217 WeakPolarHBondContact CA-OD2 3.49Å; T213-D217 PolarHBondContact N-OD2 2.89Å; T213-D217 PolarHBondContact OG1-OD2 3.26Å; K214-D217 WeakPolarHBondContact CE-OD1 3.01Å; K214-D217 VanDerWaalsContact CG-CG 3.43Å; K214-D217 VanDerWaalsContact CG-OD1 3.27Å; K214-D217 WeakPolarHBondContact CG-OD1 3.4Å; K214-D217 VanDerWaalsContact CG-OD2 3.28Å; K214-D217 WeakPolarHBondContact CG-OD2 3.45Å; K214-D217 PolarHBondContact N-OD2 3.22Å; K214-D217 WeakPolarHBondContact O-CB 3.4Å; K214-D217 PolarHBondContact O-N 2.04Å; H215-D217 PolarHBondContact O-N 3.17Å
218C83.2Confident81.1Confident5 Ų575.6 Ų75.63%0.03443%0.428CS..SBendtrans-81.8134.7-179.1-68.30000111.7C212 H215 A216 K222 C224 C230 K252C212-C218 VanDerWaalsContact CB-SG 3.52Å; H215-C218 PolarHBondContact O-N 2.7Å; A216-C218 VanDerWaalsContact C-N 3.27Å; C218-K222 HydrophobicContact CB-CB 3.89Å; C218-K222 VanDerWaalsContact CB-O 3.23Å; C218-K222 WeakPolarHBondContact CB-O 3.38Å; C218-C224 PolarHBondContact SG-N 2.89Å; C218-C224 VanDerWaalsContact SG-N 3.42Å; C218-C230 WeakPolarHBondContact CA-SG 3.47Å; C218-C230 HydrophobicContact CB-CB 3.74Å; C218-C230 WeakPolarHBondContact CB-SG 3.13Å; C218-C230 WeakPolarHBondContact SG-CA 3.35Å; C218-C230 WeakPolarHBondContact SG-CB 3.39Å; C218-C230 CovalentContact SG-SG 2.04Å; C218-C230 PolarHBondContact SG-SG 2.66Å; C218-K252 WeakPolarHBondContact O-CE 3.39Å; C218-K252 PolarHBondContact O-NZ 2.82Å
219P78.5Confident82.2Confident90 Ų9073.9 Ų73.958%0.58441%0.411SS*.  trans-70.9150.2177.929-34.4000111.9N221 K222P219-N221 PolarHBondContact O-N 3.24Å; P219-K222 WeakPolarHBondContact O-CB 2.97Å; P219-K222 PolarHBondContact O-N 2.72Å
220G82Confident83.6Confident56 Ų5667.7 Ų67.758%0.57739%0.387SS*.THydrogen-bonded Turntrans56.8-130.9172.400000113.9K222 K252G220-K222 VanDerWaalsContact C-N 3.32Å; G220-K222 PolarHBondContact O-N 3.22Å; G220-K252 PolarHBondContact O-NZ 3.21Å
221N85.8Confident85.2Confident84 Ų8467 Ų6745%0.44938%0.381SS..THydrogen-bonded Turntrans-85.79.1-178.964.5-34.2000114.6P219 G233 W257P219-N221 PolarHBondContact O-N 3.24Å; N221-G233 VanDerWaalsContact O-CA 3.28Å; N221-G233 WeakPolarHBondContact O-CA 2.94Å; N221-G233 PolarHBondContact O-N 3Å; N221-W257 HydrophobicContact CB-CE3 4.4Å; N221-W257 HydrophobicContact CB-CH2 3.81Å; N221-W257 HydrophobicContact CB-CZ3 3.49Å; N221-W257 VanDerWaalsContact CB-CZ3 3.49Å
222K88.4Confident86.4Confident84 Ų8464.7 Ų64.737%0.36538%0.377SS..EExtended strand (participates in β ladder)trans-82.1148.2-177.5-63.8-178.5177.9-169.40112.6C218 P219 G220 C230 V231 K252C218-K222 HydrophobicContact CB-CB 3.89Å; C218-K222 VanDerWaalsContact CB-O 3.23Å; C218-K222 WeakPolarHBondContact CB-O 3.38Å; P219-K222 WeakPolarHBondContact O-CB 2.97Å; P219-K222 PolarHBondContact O-N 2.72Å; G220-K222 VanDerWaalsContact C-N 3.32Å; G220-K222 PolarHBondContact O-N 3.22Å; K222-C230 HydrophobicContact CB-CB 4.01Å; K222-C230 HydrophobicContact CD-CB 4.04Å; K222-V231 CarbonylContact C-O 3.45Å; K222-V231 WeakPolarHBondContact CA-O 3.34Å; K222-V231 WeakPolarHBondContact CB-O 3.47Å; K222-K252 PolarHBondContact O-NZ 3.47Å
223L90Very high86.9Confident0 Ų064.8 Ų64.80%038%0.379CS..EExtended strand (participates in β ladder)trans-114.7143.8175.3-63.4180000110.5H215 N225 C230 V231 V250 K252 W257 F259H215-L223 HydrophobicContact CB-CD2 4.09Å; L223-N225 PolarHBondContact O-N 3.34Å; L223-C230 WeakPolarHBondContact O-CA 3.34Å; L223-V231 PolarHBondContact N-O 2.89Å; L223-V231 WeakPolarHBondContact O-CG2 3.04Å; L223-V231 PolarHBondContact O-N 3.4Å; L223-V250 HydrophobicContact CD1-CG2 3.64Å; L223-V250 HydrophobicContact CD2-CG2 3.59Å; L223-V250 HydrophobicContact CG-CG2 4.19Å; L223-K252 HydrophobicContact CD2-CB 4.42Å; L223-K252 HydrophobicContact CD2-CD 4.01Å; L223-W257 HydrophobicContact CD1-CB 3.82Å; L223-W257 HydrophobicContact CD2-CB 3.84Å; L223-W257 HydrophobicContact CD2-CG 4.23Å; L223-W257 HydrophobicContact CG-CB 4.23Å; L223-F259 HydrophobicContact CB-CD1 3.94Å; L223-F259 HydrophobicContact CB-CE1 3.49Å; L223-F259 VanDerWaalsContact CB-CE1 3.49Å; L223-F259 HydrophobicContact CB-CZ 4.08Å; L223-F259 HydrophobicContact CD1-CD1 4.16Å; L223-F259 HydrophobicContact CD1-CE1 4.27Å; L223-F259 HydrophobicContact CD1-CG 4.35Å
224C89.9Confident87.3Confident10 Ų1064.5 Ų64.57%0.06837%0.366CS..EExtended strand (participates in β ladder)trans-73.3116.8170.8-162.20000110.5C212 H215 C218 F259C212-C224 HydrophobicContact CB-CB 3.61Å; C212-C224 WeakPolarHBondContact CB-SG 3.1Å; C212-C224 PolarHBondContact O-SG 2.85Å; C212-C224 WeakPolarHBondContact SG-CA 3.44Å; C212-C224 WeakPolarHBondContact SG-CB 3.34Å; C212-C224 CovalentContact SG-SG 2.02Å; C212-C224 PolarHBondContact SG-SG 3.22Å; H215-C224 PolarHBondContact CE1-O 2.83Å; H215-C224 PolarHBondContact ND1-N 3.35Å; H215-C224 PolarHBondContact ND1-O 3.41Å; H215-C224 VanDerWaalsContact ND1-O 3.12Å; C218-C224 PolarHBondContact SG-N 2.89Å; C218-C224 VanDerWaalsContact SG-N 3.42Å; C224-F259 WeakPolarHBondContact O-CZ 3.49Å
225N90.4Very high87.4Confident31 Ų3165.8 Ų65.817%0.16637%0.367CS..  trans-84.4175.7172.474.51.5000111.4L223 Q227 E228 N229 V231 F259L223-N225 PolarHBondContact O-N 3.34Å; N225-Q227 PolarHBondContact ND2-OE1 3.24Å; N225-Q227 PolarHBondContact O-N 2.74Å; N225-Q227 WeakPolarHBondContact OD1-CA 3.17Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.16Å; N225-Q227 PolarHBondContact OD1-N 2.84Å; N225-E228 PolarHBondContact O-N 3.3Å; N225-E228 PolarHBondContact OD1-N 3.22Å; N225-N229 PolarHBondContact N-O 3.31Å; N225-N229 WeakPolarHBondContact OD1-CB 3.15Å; N225-N229 PolarHBondContact OD1-N 3.35Å; N225-N229 PolarHBondContact OD1-O 3.02Å; N225-V231 HydrophobicContact CB-CG2 3.97Å; N225-F259 HydrophobicContact CB-CE1 3.81Å; N225-F259 HydrophobicContact CB-CZ 4.08Å
226S85.9Confident87.5Confident122 Ų12264.8 Ų64.885%0.85337%0.365SS*.THydrogen-bonded Turntrans-65.3-14.5178.553.20000114.3E228S226-E228 VanDerWaalsContact C-N 3.26Å
227Q84.9Confident87.7Confident141 Ų14167 Ų6766%0.65938%0.375SS*.THydrogen-bonded Turntrans-91.714.2174.4-58.7172.8-56.200111.9N225 N229N225-Q227 PolarHBondContact ND2-OE1 3.24Å; N225-Q227 PolarHBondContact O-N 2.74Å; N225-Q227 WeakPolarHBondContact OD1-CA 3.17Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.16Å; N225-Q227 PolarHBondContact OD1-N 2.84Å; Q227-N229 PolarHBondContact O-N 2.8Å; Q227-N229 PolarHBondContact O-ND2 2.76Å
228E85.8Confident87.7Confident92 Ų9265.7 Ų65.743%0.4338%0.378SS..SBendtrans6028.1179.3-57.7178.3157.600113.3P210 Q211 C212 N225 S226P210-E228 HydrophobicContact CB-CB 3.88Å; P210-E228 HydrophobicContact CB-CG 4.26Å; P210-E228 WeakPolarHBondContact CB-OE2 3.37Å; P210-E228 VanDerWaalsContact CG-OE2 3.23Å; P210-E228 WeakPolarHBondContact CG-OE2 3.36Å; Q211-E228 WeakPolarHBondContact CA-O 3.08Å; Q211-E228 VanDerWaalsContact CB-O 3.31Å; Q211-E228 WeakPolarHBondContact CB-O 3.37Å; Q211-E228 PolarHBondContact N-O 3.05Å; C212-E228 PolarHBondContact N-O 3.21Å; C212-E228 WeakPolarHBondContact O-CB 3.36Å; C212-E228 PolarHBondContact SG-O 2.78Å; C212-E228 VanDerWaalsContact SG-O 3.41Å; N225-E228 PolarHBondContact O-N 3.3Å; N225-E228 PolarHBondContact OD1-N 3.22Å; S226-E228 VanDerWaalsContact C-N 3.26Å
229N87Confident88Confident71 Ų7169.1 Ų69.138%0.3840%0.402SS..  trans-108.6140179.1-67-50.1000111.4N225 Q227 V231N225-N229 PolarHBondContact N-O 3.31Å; N225-N229 WeakPolarHBondContact OD1-CB 3.15Å; N225-N229 PolarHBondContact OD1-N 3.35Å; N225-N229 PolarHBondContact OD1-O 3.02Å; Q227-N229 PolarHBondContact O-N 2.8Å; Q227-N229 PolarHBondContact O-ND2 2.76Å; N229-V231 HydrophobicContact CB-CG1 4.5Å; N229-V231 PolarHBondContact O-N 3.46Å
230C86.8Confident88.5Confident28 Ų2864.9 Ų64.919%0.18938%0.375CS..EExtended strand (participates in β ladder)trans-83.1100173.3-67.60000110.7C218 K222 L223C218-C230 WeakPolarHBondContact CA-SG 3.47Å; C218-C230 HydrophobicContact CB-CB 3.74Å; C218-C230 WeakPolarHBondContact CB-SG 3.13Å; C218-C230 WeakPolarHBondContact SG-CA 3.35Å; C218-C230 WeakPolarHBondContact SG-CB 3.39Å; C218-C230 CovalentContact SG-SG 2.04Å; C218-C230 PolarHBondContact SG-SG 2.66Å; K222-C230 HydrophobicContact CB-CB 4.01Å; K222-C230 HydrophobicContact CD-CB 4.04Å; L223-C230 WeakPolarHBondContact O-CA 3.34Å
231V91.5Very high88.7Confident39 Ų3964.9 Ų64.924%0.23636%0.363CS..EExtended strand (participates in β ladder)trans-103.7155.7179.4-66.60000111K222 L223 N225 N229 G233 F259K222-V231 CarbonylContact C-O 3.45Å; K222-V231 WeakPolarHBondContact CA-O 3.34Å; K222-V231 WeakPolarHBondContact CB-O 3.47Å; L223-V231 PolarHBondContact N-O 2.89Å; L223-V231 WeakPolarHBondContact O-CG2 3.04Å; L223-V231 PolarHBondContact O-N 3.4Å; N225-V231 HydrophobicContact CB-CG2 3.97Å; N229-V231 HydrophobicContact CB-CG1 4.5Å; N229-V231 PolarHBondContact O-N 3.46Å; V231-G233 PolarHBondContact O-N 3.16Å; V231-F259 HydrophobicContact CG2-CD1 3.38Å; V231-F259 HydrophobicContact CG2-CE1 3.47Å; V231-F259 VanDerWaalsContact CG2-CE1 3.47Å
232P91.2Very high88.2Confident76 Ų7667.2 Ų67.249%0.49438%0.383SS..EExtended strand (participates in β ladder)trans-57.2133.7179.1-25.335.5000113.2A260P232-A260 HydrophobicContact CB-CB 4.12Å; P232-A260 WeakPolarHBondContact O-CB 3.43Å; P232-A260 PolarHBondContact O-N 3.02Å
233G91.4Very high87.8Confident6 Ų669.5 Ų69.56%0.06240%0.404CS..EExtended strand (participates in β ladder)trans-111.6150.617100000111.8N221 V231 I258N221-G233 VanDerWaalsContact O-CA 3.28Å; N221-G233 WeakPolarHBondContact O-CA 2.94Å; N221-G233 PolarHBondContact O-N 3Å; V231-G233 PolarHBondContact O-N 3.16Å; G233-I258 CarbonylContact C-O 3.56Å; G233-I258 WeakPolarHBondContact CA-O 3.02Å
234R93.4Very high87.5Confident103 Ų10374.9 Ų74.939%0.38943%0.429SS..EExtended strand (participates in β ladder)trans-108.3131.3172.7-176.7177.872.5178.34.1109.3W257 I258 Q264R234-W257 CarbonylContact O-C 3.59Å; R234-W257 WeakPolarHBondContact O-CA 3.31Å; R234-I258 HydrophobicContact CB-CG1 4.23Å; R234-I258 PolarHBondContact N-O 2.76Å; R234-I258 VanDerWaalsContact NH2-CD1 3.35Å; R234-I258 PolarHBondContact O-N 2.91Å; R234-Q264 PolarHBondContact NH2-O 2.85Å
235R90.5Very high87.3Confident152 Ų15284.8 Ų84.857%0.57447%0.465SS*.EExtended strand (participates in β ladder)trans-68.1136.2174-179.9-176.7163-155.9-4109.6C256 W257R235-C256 WeakPolarHBondContact CA-O 3.44Å; R235-W257 HydrophobicContact CB-CD2 4.49Å; R235-W257 HydrophobicContact CB-CE3 4.12Å; R235-W257 HydrophobicContact CB-CH2 4.34Å; R235-W257 HydrophobicContact CB-CZ3 4.02Å
236V91.4Very high87.2Confident31 Ų3184.2 Ų84.219%0.18846%0.464CS..EExtended strand (participates in β ladder)trans-111.9167.9169.7-63.80000110.4G238 C256 I258V236-G238 PolarHBondContact O-N 2.75Å; V236-C256 HydrophobicContact CG2-CB 3.51Å; V236-C256 WeakPolarHBondContact CG2-O 2.89Å; V236-C256 PolarHBondContact N-O 3.33Å; V236-I258 HydrophobicContact CG1-CB 4.4Å; V236-I258 HydrophobicContact CG1-CD1 3.88Å; V236-I258 HydrophobicContact CG1-CG1 3.84Å; V236-I258 HydrophobicContact CG1-CG2 3.82Å; V236-I258 HydrophobicContact CG2-CG2 4.41Å
237S87.8Confident87.3Confident119 Ų11985.7 Ų85.783%0.83247%0.468SS*.EExtended strand (participates in β ladder)trans-60.9132.3174.252.50000110.6
238G85.8Confident87.4Confident40 Ų4082.6 Ų82.641%0.41246%0.458SS..EExtended strand (participates in β ladder)trans128.1135178.400000112.8V236 C256V236-G238 PolarHBondContact O-N 2.75Å; G238-C256 PolarHBondContact O-N 2.93Å; G238-C256 VanDerWaalsContact O-N 3.15Å
239S89Confident87.5Confident77 Ų7780 Ų8054%0.53846%0.457SS..EExtended strand (participates in β ladder)trans-95.8150.1161.254.30000109.3N254S239-N254 CarbonylContact C-O 3.49Å; S239-N254 WeakPolarHBondContact CA-O 3.28Å; S239-N254 WeakPolarHBondContact CB-O 3.38Å
240C90.1Very high87.7Confident1 Ų178.4 Ų78.41%0.00745%0.45CS..  trans-129.8156.4178.658.20000110Q244 C251 N254 F255C240-Q244 WeakPolarHBondContact CA-O 3.44Å; C240-Q244 VanDerWaalsContact CB-O 3.29Å; C240-Q244 WeakPolarHBondContact CB-O 2.75Å; C240-C251 HydrophobicContact CB-CB 3.62Å; C240-C251 WeakPolarHBondContact CB-SG 3.48Å; C240-C251 WeakPolarHBondContact SG-CA 2.97Å; C240-C251 WeakPolarHBondContact SG-CB 3.39Å; C240-C251 CovalentContact SG-SG 2.01Å; C240-C251 PolarHBondContact SG-SG 3.48Å; C240-N254 PolarHBondContact N-O 2.02Å; C240-N254 WeakPolarHBondContact O-CA 3.31Å; C240-N254 WeakPolarHBondContact O-CB 3.34Å; C240-F255 VanDerWaalsContact SG-C 3.58Å; C240-F255 PolarHBondContact SG-O 2.03Å
241T85.5Confident87.8Confident55 Ų5579.7 Ų79.734%0.33746%0.458SS..  trans-130.4171.7174.968.10000108.2T243 Q244T241-T243 PolarHBondContact O-N 3.45Å; T241-T243 PolarHBondContact OG1-N 3.01Å; T241-T243 PolarHBondContact OG1-OG1 3.37Å; T241-T243 VanDerWaalsContact OG1-OG1 3.05Å; T241-Q244 PolarHBondContact N-O 3.21Å; T241-Q244 CarbonylContact O-C 3.53Å; T241-Q244 PolarHBondContact O-N 3.38Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.38Å; T241-Q244 PolarHBondContact OG1-N 3.24Å
242P74.5Confident87.6Confident134 Ų13478.3 Ų78.387%0.8745%0.449SS*.SBendtrans-55-23173.1-27.736.6000114
243T81.9Confident87.4Confident131 Ų13180.4 Ų80.480%0.80446%0.455SS*.SBendtrans-100.9-30.1178.653.60000113.3T241T241-T243 PolarHBondContact O-N 3.45Å; T241-T243 PolarHBondContact OG1-N 3.01Å; T241-T243 PolarHBondContact OG1-OG1 3.37Å; T241-T243 VanDerWaalsContact OG1-OG1 3.05Å
244Q82.4Confident87.2Confident113 Ų11385 Ų8553%0.52848%0.479SS..SBendtrans-102108.5179.3-175.8175.9-11.500110.8C240 T241C240-Q244 WeakPolarHBondContact CA-O 3.44Å; C240-Q244 VanDerWaalsContact CB-O 3.29Å; C240-Q244 WeakPolarHBondContact CB-O 2.75Å; T241-Q244 PolarHBondContact N-O 3.21Å; T241-Q244 CarbonylContact O-C 3.53Å; T241-Q244 PolarHBondContact O-N 3.38Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.38Å; T241-Q244 PolarHBondContact OG1-N 3.24Å
245R85.5Confident87Confident218 Ų21884.2 Ų84.282%0.82348%0.478SS*.  trans-78.9157.2175.5-61.4-169.7178.8101.50.9111.2
246C88.9Confident87.2Confident20 Ų2077.1 Ų77.114%0.13545%0.452CS..  trans-69137.9171.6-61.90000110.4T248 C256C246-T248 WeakPolarHBondContact CB-O 3.01Å; C246-T248 PolarHBondContact O-N 3.27Å; C246-C256 WeakPolarHBondContact CA-SG 3.19Å; C246-C256 HydrophobicContact CB-CB 3.7Å; C246-C256 WeakPolarHBondContact CB-SG 3.37Å; C246-C256 WeakPolarHBondContact SG-CA 3.46Å; C246-C256 WeakPolarHBondContact SG-CB 3.2Å; C246-C256 CovalentContact SG-SG 2.03Å; C246-C256 PolarHBondContact SG-SG 2.8Å
247T88.1Confident87.2Confident152 Ų15277 Ų7793%0.93345%0.448SS*.SBendtrans-59.1-40170.3-49.50000110.6
248T86.3Confident87.5Confident76 Ų7672.1 Ų72.147%0.46641%0.412SS..SBendtrans-134134.3176.2-50.30000109.4C246 I258C246-T248 WeakPolarHBondContact CB-O 3.01Å; C246-T248 PolarHBondContact O-N 3.27Å; T248-I258 HydrophobicContact CG2-CG2 4.11Å
249G89.4Confident87.8Confident39 Ų3972.8 Ų72.840%0.40240%0.404SS..SBendtrans85.6-157.6178.300000114.2W257G249-W257 CarbonylContact C-O 3.49Å; G249-W257 WeakPolarHBondContact CA-O 3.27Å
250V89.7Confident87.8Confident37 Ų3771.8 Ų71.822%0.22440%0.4CS..EExtended strand (participates in β ladder)trans-122.5145.5-169.8-59.20000111H215 L223 W257H215-V250 WeakPolarHBondContact NE2-CG1 3.42Å; L223-V250 HydrophobicContact CD1-CG2 3.64Å; L223-V250 HydrophobicContact CD2-CG2 3.59Å; L223-V250 HydrophobicContact CG-CG2 4.19Å; V250-W257 HydrophobicContact CG2-CB 4.32Å; V250-W257 PolarHBondContact N-O 3.18Å; V250-W257 PolarHBondContact O-N 3.32Å
251C89.7Confident87.3Confident54 Ų5478.2 Ų78.237%0.36544%0.435SS..EExtended strand (participates in β ladder)trans-82.2122.7178.5-175.30000110.8C240C240-C251 HydrophobicContact CB-CB 3.62Å; C240-C251 WeakPolarHBondContact CB-SG 3.48Å; C240-C251 WeakPolarHBondContact SG-CA 2.97Å; C240-C251 WeakPolarHBondContact SG-CB 3.39Å; C240-C251 CovalentContact SG-SG 2.01Å; C240-C251 PolarHBondContact SG-SG 3.48Å
252K87.8Confident86.3Confident10 Ų1078 Ų784%0.04344%0.435CS..EExtended strand (participates in β ladder)trans-145.6130.5172.1-176.2-173.3180-169.80110H215 C218 G220 K222 L223 N254 F255 W257H215-K252 HydrophobicContact CB-CD 4.37Å; H215-K252 WeakPolarHBondContact O-CD 3.2Å; H215-K252 WeakPolarHBondContact O-CE 3.48Å; H215-K252 PolarHBondContact O-NZ 3.46Å; C218-K252 WeakPolarHBondContact O-CE 3.39Å; C218-K252 PolarHBondContact O-NZ 2.82Å; G220-K252 PolarHBondContact O-NZ 3.21Å; K222-K252 PolarHBondContact O-NZ 3.47Å; L223-K252 HydrophobicContact CD2-CB 4.42Å; L223-K252 HydrophobicContact CD2-CD 4.01Å; K252-N254 PolarHBondContact O-N 3.38Å; K252-F255 PolarHBondContact N-O 3.1Å; K252-F255 PolarHBondContact O-N 3.14Å; K252-F255 VanDerWaalsContact O-O 3.08Å; K252-W257 HydrophobicContact CB-CG 4.44Å; K252-W257 PolarHBondContact O-NE1 3.19Å
253L85.4Confident85.2Confident120 Ų12076.8 Ų76.863%0.62843%0.43SS*.THydrogen-bonded Turntrans53.538-178.1-59.9169.9000113F255L253-F255 HydrophobicContact CB-CD2 4.46Å; L253-F255 WeakPolarHBondContact O-CD2 3.47Å; L253-F255 WeakPolarHBondContact O-CE2 3.38Å; L253-F255 PolarHBondContact O-N 2.82Å
254N88.2Confident83.6Confident103 Ų10377.7 Ų77.755%0.55143%0.425SS*.THydrogen-bonded Turntrans63.911.3-176.4-50.6-45.3000115.9S239 C240 K252S239-N254 CarbonylContact C-O 3.49Å; S239-N254 WeakPolarHBondContact CA-O 3.28Å; S239-N254 WeakPolarHBondContact CB-O 3.38Å; C240-N254 PolarHBondContact N-O 2.02Å; C240-N254 WeakPolarHBondContact O-CA 3.31Å; C240-N254 WeakPolarHBondContact O-CB 3.34Å; K252-N254 PolarHBondContact O-N 3.38Å
255F89.9Confident81.7Confident86 Ų8675.8 Ų75.838%0.37743%0.429SS..EExtended strand (participates in β ladder)trans-114.7154.8172.7-58.2-73.3000110.8C240 K252 L253 W257C240-F255 VanDerWaalsContact SG-C 3.58Å; C240-F255 PolarHBondContact SG-O 2.03Å; K252-F255 PolarHBondContact N-O 3.1Å; K252-F255 PolarHBondContact O-N 3.14Å; K252-F255 VanDerWaalsContact O-O 3.08Å; L253-F255 HydrophobicContact CB-CD2 4.46Å; L253-F255 WeakPolarHBondContact O-CD2 3.47Å; L253-F255 WeakPolarHBondContact O-CE2 3.38Å; L253-F255 PolarHBondContact O-N 2.82Å; F255-W257 HydrophobicContact CB-CZ2 4.49Å; F255-W257 PolarHBondContact O-NE1 3.29Å
256C92.9Very high80Confident3 Ų370.5 Ų70.52%0.0242%0.423CS..EExtended strand (participates in β ladder)trans-87.4134.3173-65.30000111.2R235 V236 G238 C246R235-C256 WeakPolarHBondContact CA-O 3.44Å; V236-C256 HydrophobicContact CG2-CB 3.51Å; V236-C256 WeakPolarHBondContact CG2-O 2.89Å; V236-C256 PolarHBondContact N-O 3.33Å; G238-C256 PolarHBondContact O-N 2.93Å; G238-C256 VanDerWaalsContact O-N 3.15Å; C246-C256 WeakPolarHBondContact CA-SG 3.19Å; C246-C256 HydrophobicContact CB-CB 3.7Å; C246-C256 WeakPolarHBondContact CB-SG 3.37Å; C246-C256 WeakPolarHBondContact SG-CA 3.46Å; C246-C256 WeakPolarHBondContact SG-CB 3.2Å; C246-C256 CovalentContact SG-SG 2.03Å; C246-C256 PolarHBondContact SG-SG 2.8Å
257W92.6Very high78.3Confident29 Ų2978.6 Ų78.611%0.1146%0.459CS..EExtended strand (participates in β ladder)trans-132.8145-177-57.479.5000110.9N221 L223 R234 R235 G249 V250 K252 F255N221-W257 HydrophobicContact CB-CE3 4.4Å; N221-W257 HydrophobicContact CB-CH2 3.81Å; N221-W257 HydrophobicContact CB-CZ3 3.49Å; N221-W257 VanDerWaalsContact CB-CZ3 3.49Å; L223-W257 HydrophobicContact CD1-CB 3.82Å; L223-W257 HydrophobicContact CD2-CB 3.84Å; L223-W257 HydrophobicContact CD2-CG 4.23Å; L223-W257 HydrophobicContact CG-CB 4.23Å; R234-W257 CarbonylContact O-C 3.59Å; R234-W257 WeakPolarHBondContact O-CA 3.31Å; R235-W257 HydrophobicContact CB-CD2 4.49Å; R235-W257 HydrophobicContact CB-CE3 4.12Å; R235-W257 HydrophobicContact CB-CH2 4.34Å; R235-W257 HydrophobicContact CB-CZ3 4.02Å; G249-W257 CarbonylContact C-O 3.49Å; G249-W257 WeakPolarHBondContact CA-O 3.27Å; V250-W257 HydrophobicContact CG2-CB 4.32Å; V250-W257 PolarHBondContact N-O 3.18Å; V250-W257 PolarHBondContact O-N 3.32Å; K252-W257 HydrophobicContact CB-CG 4.44Å; K252-W257 PolarHBondContact O-NE1 3.19Å; F255-W257 HydrophobicContact CB-CZ2 4.49Å; F255-W257 PolarHBondContact O-NE1 3.29Å
258I93.6Very high76.6Confident17 Ų1779.7 Ų79.79%0.08745%0.453CS..EExtended strand (participates in β ladder)trans-117.2162.8166.664.5173.6000109.1G233 R234 V236 T248G233-I258 CarbonylContact C-O 3.56Å; G233-I258 WeakPolarHBondContact CA-O 3.02Å; R234-I258 HydrophobicContact CB-CG1 4.23Å; R234-I258 PolarHBondContact N-O 2.76Å; R234-I258 VanDerWaalsContact NH2-CD1 3.35Å; R234-I258 PolarHBondContact O-N 2.91Å; V236-I258 HydrophobicContact CG1-CB 4.4Å; V236-I258 HydrophobicContact CG1-CD1 3.88Å; V236-I258 HydrophobicContact CG1-CG1 3.84Å; V236-I258 HydrophobicContact CG1-CG2 3.82Å; V236-I258 HydrophobicContact CG2-CG2 4.41Å; T248-I258 HydrophobicContact CG2-CG2 4.11Å
259F93Very high75.2Confident54 Ų5482 Ų8224%0.23747%0.469CS..EExtended strand (participates in β ladder)trans-65.9138.2170.8-66.2-78.9000109.5L223 C224 N225 V231 D261 S262L223-F259 HydrophobicContact CB-CD1 3.94Å; L223-F259 HydrophobicContact CB-CE1 3.49Å; L223-F259 VanDerWaalsContact CB-CE1 3.49Å; L223-F259 HydrophobicContact CB-CZ 4.08Å; L223-F259 HydrophobicContact CD1-CD1 4.16Å; L223-F259 HydrophobicContact CD1-CE1 4.27Å; L223-F259 HydrophobicContact CD1-CG 4.35Å; C224-F259 WeakPolarHBondContact O-CZ 3.49Å; N225-F259 HydrophobicContact CB-CE1 3.81Å; N225-F259 HydrophobicContact CB-CZ 4.08Å; V231-F259 HydrophobicContact CG2-CD1 3.38Å; V231-F259 HydrophobicContact CG2-CE1 3.47Å; V231-F259 VanDerWaalsContact CG2-CE1 3.47Å; F259-D261 WeakPolarHBondContact CB-OD1 3.28Å; F259-D261 PolarHBondContact O-N 3.27Å; F259-D261 VanDerWaalsContact O-N 3.15Å; F259-S262 PolarHBondContact N-OG 3.07Å; F259-S262 WeakPolarHBondContact O-CB 3.33Å; F259-S262 PolarHBondContact O-N 2.75Å; F259-S262 PolarHBondContact O-OG 2.73Å
260A88.1Confident73.8Confident56 Ų5688.6 Ų88.646%0.46349%0.49SS..THydrogen-bonded Turntrans-62.8-23.8-173.400000113.7P232P232-A260 HydrophobicContact CB-CB 4.12Å; P232-A260 WeakPolarHBondContact O-CB 3.43Å; P232-A260 PolarHBondContact O-N 3.02Å
261D79.7Confident72.6Confident136 Ų13692.7 Ų92.773%0.72752%0.517SS*.THydrogen-bonded Turntrans-87.5-10.9176.560.6-5.5000113.7F259 S263F259-D261 WeakPolarHBondContact CB-OD1 3.28Å; F259-D261 PolarHBondContact O-N 3.27Å; F259-D261 VanDerWaalsContact O-N 3.15Å; D261-S263 PolarHBondContact O-N 3.36Å
262S64.2Low71.6Confident50 Ų5098.6 Ų98.635%0.3554%0.54SS..SBendtrans-75.379.6171.563.80000109.4F259 Q264F259-S262 PolarHBondContact N-OG 3.07Å; F259-S262 WeakPolarHBondContact O-CB 3.33Å; F259-S262 PolarHBondContact O-N 2.75Å; F259-S262 PolarHBondContact O-OG 2.73Å; S262-Q264 VanDerWaalsContact C-N 3.32Å; S262-Q264 PolarHBondContact O-N 2.85Å
263S52.8Low70.8Confident109 Ų109103.8 Ų103.876%0.76257%0.574SS**  trans-6588.8174.456.90000110.5D261D261-S263 PolarHBondContact O-N 3.36Å
264Q48.2Very low70Confident149 Ų149106.7 Ų106.770%0.69658%0.584SS**  -100.299129-7317915.400104.8R234 S262R234-Q264 PolarHBondContact NH2-O 2.85Å; S262-Q264 VanDerWaalsContact C-N 3.32Å; S262-Q264 PolarHBondContact O-N 2.85Å
265A42.7Very low69.3Low74 Ų74107.5 Ų107.561%0.61260%0.596SS**  trans-55.5137.1155.400000106.2E267A265-E267 PolarHBondContact O-N 3.16Å; A265-E267 VanDerWaalsContact O-N 3.08Å
266P50Low68.5Low107 Ų107112 Ų11270%0.69562%0.617SS**  trans-52.8123.6165.7-12.125.6000105.9E268P266-E268 PolarHBondContact O-N 2.02Å
267E51.5Low67.6Low190 Ų190117.8 Ų117.889%0.88866%0.655SS**  trans-54.1112.4163.1-85172.9130.400105.3A265A265-E267 PolarHBondContact O-N 3.16Å; A265-E267 VanDerWaalsContact O-N 3.08Å
268E54.2Low66.7Low175 Ų175124.8 Ų124.882%0.81869%0.689SS**PPolyproline II helixtrans-53.4128.6161.9-86.3-178.3139.700105.8P266 Q270P266-E268 PolarHBondContact O-N 2.02Å; E268-Q270 PolarHBondContact O-N 3.47Å
269P55.9Low65.8Low123 Ų123129.9 Ų129.980%0.79972%0.723SS**PPolyproline II helixtrans-55.9116.8173.322.1-28.9000106.7
270Q60.6Low64.6Low179 Ų179135.9 Ų135.984%0.83675%0.752SS**PPolyproline II helixtrans-54.6133.1170.6-71.5-174.8-40.400106.9E268 E272E268-Q270 PolarHBondContact O-N 3.47Å; Q270-E272 PolarHBondContact O-N 3.19Å; Q270-E272 VanDerWaalsContact O-N 3.11Å
271P64.7Low63.9Low123 Ų123139 Ų13980%0.79977%0.768SS**PPolyproline II helixtrans-53.8124.9174.121.6-30.5000107.7
272E67.2Low63.4Low178 Ų178141.3 Ų141.383%0.83277%0.774SS**PPolyproline II helixtrans-53.2135.7174.9-74.5-178.215400108.2Q270 E274Q270-E272 PolarHBondContact O-N 3.19Å; Q270-E272 VanDerWaalsContact O-N 3.11Å; E272-E274 PolarHBondContact O-N 2.76Å
273P72.3Confident63.4Low119 Ų119144.7 Ų144.777%0.77380%0.795SS**PPolyproline II helixtrans-56127.1173.723.3-31.1000108.3
274E68.3Low63.8Low180 Ų180144.2 Ų144.284%0.84180%0.797SS**PPolyproline II helixtrans-51.7133.2177.4-72.4-178154.100109.3E272 E276E272-E274 PolarHBondContact O-N 2.76Å; E274-E276 PolarHBondContact O-N 2.82Å
275P73.6Confident64.1Low121 Ų121146.6 Ų146.679%0.78681%0.808SS**PPolyproline II helixtrans-58.8130.4175.423.8-31.3000108.8
276E73.3Confident64.8Low179 Ų179147.6 Ų147.684%0.83682%0.817SS**PPolyproline II helixtrans-53.7136.9175.8-70.6-176156.300109.6E274 E278E274-E276 PolarHBondContact O-N 2.82Å; E276-E278 PolarHBondContact O-N 2.88Å
277P74Confident65.1Low125 Ų125152.1 Ų152.181%0.81283%0.829SS**PPolyproline II helixtrans-57.4129.5179.322.5-31.7000109.7
278E72.1Confident64.9Low177 Ų177147.7 Ų147.783%0.82783%0.825SS**PPolyproline II helixtrans-55.3137.8174.2-70-173.5155.200109.6E276 E280E276-E278 PolarHBondContact O-N 2.88Å; E278-E280 PolarHBondContact O-N 3.31Å
279P75.4Confident65.2Low124 Ų124148.7 Ų148.781%0.80583%0.83SS**PPolyproline II helixtrans-59.5126177.623.5-31.6000109.7
280E69Low64.8Low179 Ų179148.9 Ų148.984%0.83683%0.831SS**PPolyproline II helixtrans-54.5133.9178.3-71.5-176.2151.600110.5E278 E282E278-E280 PolarHBondContact O-N 3.31Å; E280-E282 PolarHBondContact O-N 3Å
281P72.6Confident64.2Low122 Ų122145.2 Ų145.279%0.79283%0.831SS**PPolyproline II helixtrans-64.5132.5174.725.4-31.6000110.2
282E68.3Low63.5Low184 Ų184143.9 Ų143.986%0.8683%0.83SS**PPolyproline II helixtrans-55.6134.3176.7-69.2-173146.800111E280 A284E280-E282 PolarHBondContact O-N 3Å; E282-A284 PolarHBondContact O-N 3.32Å
283P64.1Low62.9Low122 Ų122143.9 Ų143.979%0.79283%0.83SS**PPolyproline II helixtrans-70.9120.9-177.726.8-30.9000110.4E285P283-E285 PolarHBondContact O-N 3.28Å
284A61.8Low62.1Low98 Ų98146.7 Ų146.781%0.8183%0.833SS**  trans-75.4114.3164.100000108.9E282 A286E282-A284 PolarHBondContact O-N 3.32Å; A284-A286 PolarHBondContact O-N 2.92Å
285E54.8Low61.3Low199 Ų199142.1 Ų142.193%0.9383%0.826SS**  trans-67.6113172.6-63.4-179.7157.800109.6P283P283-E285 PolarHBondContact O-N 3.28Å
286A57Low60.4Low96 Ų96145.8 Ų145.879%0.79383%0.833SS**  trans-135.614316600000109A284A284-A286 PolarHBondContact O-N 2.92Å
287E55.7Low59.3Low202 Ų202142 Ų14294%0.94483%0.832SS**  trans-73.6151.6-150.5-57.2179.3142.700114.8
288A49Very low58.3Low97 Ų97140.3 Ų140.380%0.80283%0.828SS**  trans-92.5140.4-17600000113
289E59.2Low57.4Low196 Ų196141.6 Ų141.692%0.91684%0.835SS**  trans-139.9134.5151.4-75.3-154.3138.400109.9
290P48.8Very low56.3Low127 Ų127139.6 Ų139.683%0.82584%0.837SS**  trans-118.5169.4-178.840.1-29.5000115.4
291A47.4Very low55.6Low101 Ų101140.7 Ų140.784%0.83584%0.841SS**  trans119.7151.8141.900000119.7
292A49.5Very low54.8Low96 Ų96140 Ų14079%0.79385%0.847SS**  trans92109.4178.200000115.2
293E54Low54.4Low178 Ų178140.3 Ų140.383%0.83285%0.848SS**  cis95.8138.338.7-154.6179.7163.300113.6
294E55.6Low54.3Low178 Ų178139.8 Ų139.883%0.83285%0.845SS**  trans84.5147.1170-49.4-166.5156.200118.6
295A52.8Low54Low84 Ų84140 Ų14069%0.69485%0.846SS**  cis-178.2135.1-20.700000109.2
296E53.5Low54.2Low198 Ų198139.6 Ų139.693%0.92584%0.844SS**  trans54.3161.1137.1-57.5-145.6141.600127.1
297A51.1Low54.4Low98 Ų98144.6 Ų144.681%0.8185%0.851SS**  trans105.3106.4164.600000117.2
298A53.7Low54.7Low90 Ų90143.5 Ų143.574%0.74485%0.846SS**  90.8104.271.500000112.7
299E51.4Low55.2Low205 Ų205143.9 Ų143.996%0.95885%0.849SS**  81.5135.1102.4-74.2-168.6155.600116.3
300G53.9Low55.8Low82 Ų82143.7 Ų143.785%0.84585%0.848SS**  trans-179.499.4174.600000113.4
301E54.8Low56.5Low201 Ų201143.5 Ų143.594%0.93985%0.847SS**  trans-80.4156.7173.2-57.2174.4122.600112.3
302A53.9Low57.2Low109 Ų109143.6 Ų143.690%0.90185%0.848SS**  trans-173.3144.5144.200000112.7
303E61.6Low57.9Low190 Ų190148.4 Ų148.489%0.88885%0.854SS**  trans-104.1-175.6-159.7-109.1-146.513800114.3
304P61.6Low58.4Low111 Ų111149 Ų14972%0.72186%0.857SS**  trans-104.5-176.8-147.942.3-36.7000115.8
305A55.5Low58.7Low102 Ų102153.4 Ų153.484%0.84388%0.877SS**  trans-149.3146164.400000112.4
306E58.7Low59Low191 Ų191156.9 Ų156.989%0.89389%0.886SS**  trans-81.8157.6-169.7-54.3164.6139.300113.2
307E62Low59.3Low200 Ų200154.7 Ų154.794%0.93588%0.884SS**  trans-155.7126.8142.7-157.1167.8133.600111.3
308E61Low59.8Low180 Ų180157.9 Ų157.984%0.84189%0.889SS**  trans-82159177.6-53.9-174.713000112.1
309A60.3Low60.1Low104 Ų104161.9 Ų161.986%0.8690%0.897SS**  174.2146.5127.100000112.7
310E70.7Confident60.7Low193 Ų193159.2 Ų159.290%0.90289%0.893SS**  trans-82.3175.3-158.3-79.9-171.4128.900118.3
311P64.4Low61.1Low123 Ų123164.3 Ų164.380%0.79990%0.896SS**  trans-102.1173.7-17540-30.4000114
312A61.9Low61.6Low103 Ų103161.7 Ų161.785%0.85189%0.893SS**  trans-150.2123.1161.100000111.2
313E62.9Low62.2Low196 Ų196165.8 Ų165.892%0.91689%0.893SS**  trans-86.5145.3161.6-64.8-179139.200109.1
314E65.5Low62.2Low192 Ų192163.8 Ų163.890%0.89789%0.893SS**  trans-152.3122.8154.6-110-179.8165.700109.7
315E62.3Low62.3Low270 Ų270168.5 Ų168.5100%1.26291%0.909SS**  trans65.60162-54.5-146.313100122.9

Retrieved 315 of 315 residues in 186.1 ms (Link to these results)