Q7TP28_RAT Loading...

Similar to cDNA sequence BC005537

AlphaFold DB , UniProt , Accession Q7TP28, Species RAT (Rattus norvegicus, Rat), Gene C17h6orf62, Length 229 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
1M47.1Very low54Low244 Ų244114.7 Ų114.7100%1.20260%0.6SS**  0111.80-73.9-169.2-109.100108.2
2G55.1Low53.7Low44 Ų44109.2 Ų109.245%0.45457%0.571SS.*  trans-76.1129.8-176.100000112.3R7G2-R7 PolarHBondContact O-NH2 3.01Å
3D52.5Low54Low90 Ų90106.8 Ų106.848%0.48156%0.559SS.*  trans-47.7124.5179.9176.80000111.5N5 S6 R7D3-N5 PolarHBondContact O-N 3.21Å; D3-N5 PolarHBondContact OD1-N 2.91Å; D3-S6 WeakPolarHBondContact O-CB 3.22Å; D3-S6 PolarHBondContact O-N 3.35Å; D3-S6 PolarHBondContact O-OG 3.15Å; D3-R7 PolarHBondContact O-N 2.82Å
4P55.2Low54.1Low97 Ų97111.4 Ų111.463%0.6357%0.566SS**Hα-helixtrans-51.8-36.9176.9-25.733000114.1S6 R7 K8P4-S6 VanDerWaalsContact C-N 3.31Å; P4-S6 PolarHBondContact O-N 2.99Å; P4-R7 PolarHBondContact O-N 2.83Å; P4-K8 PolarHBondContact O-N 3.37Å
5N56.1Low53.4Low122 Ų122106.6 Ų106.665%0.65254%0.542SS*.Hα-helixtrans-66.8-35.4178.4-76.6-32.4000111.6D3 R7 K8 K9D3-N5 PolarHBondContact O-N 3.21Å; D3-N5 PolarHBondContact OD1-N 2.91Å; N5-R7 VanDerWaalsContact C-N 3.31Å; N5-R7 PolarHBondContact O-N 2.71Å; N5-K8 PolarHBondContact O-N 3.41Å; N5-K9 WeakPolarHBondContact O-CB 2.96Å; N5-K9 PolarHBondContact O-N 2.93Å; N5-K9 VanDerWaalsContact O-N 3.08Å
6S58.4Low53.2Low43 Ų43106.2 Ų106.230%0.30153%0.531SS..Hα-helixtrans-63.7-36.5174.981.40000112.2D3 P4 K9 Q10D3-S6 WeakPolarHBondContact O-CB 3.22Å; D3-S6 PolarHBondContact O-N 3.35Å; D3-S6 PolarHBondContact O-OG 3.15Å; P4-S6 VanDerWaalsContact C-N 3.31Å; P4-S6 PolarHBondContact O-N 2.99Å; S6-K9 PolarHBondContact O-N 3.26Å; S6-Q10 WeakPolarHBondContact O-CB 3.41Å; S6-Q10 WeakPolarHBondContact O-CG 3.47Å; S6-Q10 PolarHBondContact O-N 2.9Å
7R52.1Low53.2Low159 Ų159102.8 Ų102.860%0.652%0.523SS*.Hα-helixtrans-68.4-44.3178.8-68.4-172.8-144.91797.4111.6G2 D3 P4 N5 K9 Q10 A11G2-R7 PolarHBondContact O-NH2 3.01Å; D3-R7 PolarHBondContact O-N 2.82Å; P4-R7 PolarHBondContact O-N 2.83Å; N5-R7 VanDerWaalsContact C-N 3.31Å; N5-R7 PolarHBondContact O-N 2.71Å; R7-K9 VanDerWaalsContact C-N 3.33Å; R7-K9 PolarHBondContact O-N 3.27Å; R7-Q10 PolarHBondContact O-N 3.17Å; R7-A11 WeakPolarHBondContact O-CB 3.35Å; R7-A11 PolarHBondContact O-N 2.82Å
8K52.1Low52.9Low152 Ų152103.6 Ų103.666%0.66153%0.525SS*.Hα-helixtrans-60.3-44.8175.9-168.8177.3-180-178.90110.8P4 N5 A11 L12P4-K8 PolarHBondContact O-N 3.37Å; N5-K8 PolarHBondContact O-N 3.41Å; K8-A11 PolarHBondContact O-N 3.14Å; K8-L12 WeakPolarHBondContact O-CB 3.32Å; K8-L12 PolarHBondContact O-N 3.32Å
9K53.8Low52.2Low145 Ų14599.1 Ų99.163%0.6350%0.502SS*.Hα-helixtrans-64.3-41.4177.1-166175-176.5176.60112.5N5 S6 R7 L12 N13N5-K9 WeakPolarHBondContact O-CB 2.96Å; N5-K9 PolarHBondContact O-N 2.93Å; N5-K9 VanDerWaalsContact O-N 3.08Å; S6-K9 PolarHBondContact O-N 3.26Å; R7-K9 VanDerWaalsContact C-N 3.33Å; R7-K9 PolarHBondContact O-N 3.27Å; K9-L12 PolarHBondContact O-N 2.81Å; K9-N13 WeakPolarHBondContact O-CB 3.13Å; K9-N13 VanDerWaalsContact O-CG 3.24Å; K9-N13 PolarHBondContact O-N 2.98Å; K9-N13 PolarHBondContact O-ND2 2.73Å
10Q58Low52.1Low106 Ų106105.1 Ų105.150%0.49552%0.518SS..Hα-helixtrans-66.9-41176-79.7-175.38.600112.5S6 R7 N13 R14S6-Q10 WeakPolarHBondContact O-CB 3.41Å; S6-Q10 WeakPolarHBondContact O-CG 3.47Å; S6-Q10 PolarHBondContact O-N 2.9Å; R7-Q10 PolarHBondContact O-N 3.17Å; Q10-N13 PolarHBondContact O-N 2.78Å; Q10-R14 WeakPolarHBondContact O-CB 3.47Å; Q10-R14 WeakPolarHBondContact O-CG 3.41Å; Q10-R14 PolarHBondContact O-N 2.63Å
11A53.7Low51.8Low60 Ų60108.9 Ų108.950%0.49653%0.532SS..Hα-helixtrans-61-46.8175.200000110.9R7 K8 N13 R14 L15R7-A11 WeakPolarHBondContact O-CB 3.35Å; R7-A11 PolarHBondContact O-N 2.82Å; K8-A11 PolarHBondContact O-N 3.14Å; A11-N13 VanDerWaalsContact C-N 3.35Å; A11-N13 PolarHBondContact O-N 3.31Å; A11-R14 PolarHBondContact O-N 3.24Å; A11-L15 WeakPolarHBondContact O-CB 3.21Å; A11-L15 PolarHBondContact O-N 3.09Å
12L50.8Low51.5Low48 Ų48103.2 Ų103.225%0.25150%0.501SS..Hα-helixtrans-60.2-43.2175.6-160.290.3000111.9K8 K9 L15 R16 T212K8-L12 WeakPolarHBondContact O-CB 3.32Å; K8-L12 PolarHBondContact O-N 3.32Å; K9-L12 PolarHBondContact O-N 2.81Å; L12-L15 PolarHBondContact O-N 3.48Å; L12-R16 WeakPolarHBondContact O-CB 3.13Å; L12-R16 WeakPolarHBondContact O-CG 3.12Å; L12-R16 PolarHBondContact O-N 3.21Å; L12-T212 HydrophobicContact CD1-CG2 4.13Å
13N57.7Low51.2Low78 Ų78110.8 Ų110.842%0.41752%0.521SS..Hα-helixtrans-66.6-39.3178.1-76.8-14.5000112.5K9 Q10 A11 R16 A17K9-N13 WeakPolarHBondContact O-CB 3.13Å; K9-N13 VanDerWaalsContact O-CG 3.24Å; K9-N13 PolarHBondContact O-N 2.98Å; K9-N13 PolarHBondContact O-ND2 2.73Å; Q10-N13 PolarHBondContact O-N 2.78Å; A11-N13 VanDerWaalsContact C-N 3.35Å; A11-N13 PolarHBondContact O-N 3.31Å; N13-R16 PolarHBondContact O-N 3.4Å; N13-A17 WeakPolarHBondContact O-CB 2.95Å; N13-A17 PolarHBondContact O-N 3.48Å
14R55.6Low51Low172 Ų172110 Ų11065%0.64952%0.515SS*.Hα-helixtrans-64.2-43.6174.7-75.4176.9-175.9-1782.4111Q10 A11 A17 Q18Q10-R14 WeakPolarHBondContact O-CB 3.47Å; Q10-R14 WeakPolarHBondContact O-CG 3.41Å; Q10-R14 PolarHBondContact O-N 2.63Å; A11-R14 PolarHBondContact O-N 3.24Å; R14-A17 PolarHBondContact O-N 3.14Å; R14-Q18 WeakPolarHBondContact O-CB 3.36Å; R14-Q18 WeakPolarHBondContact O-CG 3.46Å; R14-Q18 PolarHBondContact O-N 3.33Å
15L42.6Very low51.4Low39 Ų39106 Ų10620%0.20449%0.488CS..Hα-helixtrans-59.4-53.2174.5-173.364.9000110.2A11 L12 A17 Q18 L19 L26 W132A11-L15 WeakPolarHBondContact O-CB 3.21Å; A11-L15 PolarHBondContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 3.48Å; L15-A17 VanDerWaalsContact C-N 3.27Å; L15-A17 PolarHBondContact O-N 3.32Å; L15-Q18 PolarHBondContact O-N 3.25Å; L15-L19 HydrophobicContact CD1-CG 4.42Å; L15-L19 HydrophobicContact CG-CD1 3.99Å; L15-L19 HydrophobicContact CG-CG 4.34Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 3.19Å; L15-L26 HydrophobicContact CD2-CD1 3.47Å; L15-L26 VanDerWaalsContact CD2-CD1 3.47Å; L15-L26 HydrophobicContact CG-CD1 4.19Å; L15-W132 HydrophobicContact CD2-CH2 4.01Å; L15-W132 HydrophobicContact CD2-CZ3 4.44Å
16R50.8Low51.9Low100 Ų100100.6 Ų100.638%0.37746%0.46SS..Hα-helixtrans-52.5-42174.8-75.3175.2174-174.1-6.7112.8L12 N13 R20 E209L12-R16 WeakPolarHBondContact O-CB 3.13Å; L12-R16 WeakPolarHBondContact O-CG 3.12Å; L12-R16 PolarHBondContact O-N 3.21Å; N13-R16 PolarHBondContact O-N 3.4Å; R16-R20 WeakPolarHBondContact O-CG 3.36Å; R16-R20 PolarHBondContact O-N 2.9Å; R16-E209 IonicContact NH2-OE2 3.05Å; R16-E209 PolarHBondContact NH2-OE2 2.86Å
17A53.6Low52.8Low48 Ų4898.5 Ų98.540%0.39745%0.445SS..Hα-helixtrans-69.8-38.2178.100000112.9N13 R14 L15 K21N13-A17 WeakPolarHBondContact O-CB 2.95Å; N13-A17 PolarHBondContact O-N 3.48Å; R14-A17 PolarHBondContact O-N 3.14Å; L15-A17 VanDerWaalsContact C-N 3.27Å; L15-A17 PolarHBondContact O-N 3.32Å; A17-K21 WeakPolarHBondContact O-CG 3.36Å; A17-K21 PolarHBondContact O-N 3.45Å
18Q47.7Very low54.1Low117 Ų11794.1 Ų94.155%0.54743%0.434SS..Hα-helixtrans-68.2-42.2175.3-77.3-179.3-24.300111.7R14 L15 R20 K21 K22R14-Q18 WeakPolarHBondContact O-CB 3.36Å; R14-Q18 WeakPolarHBondContact O-CG 3.46Å; R14-Q18 PolarHBondContact O-N 3.33Å; L15-Q18 PolarHBondContact O-N 3.25Å; Q18-R20 PolarHBondContact O-N 3.14Å; Q18-K21 PolarHBondContact O-N 2.65Å; Q18-K21 VanDerWaalsContact O-N 3.11Å; Q18-K22 WeakPolarHBondContact O-CB 3.26Å; Q18-K22 PolarHBondContact O-N 2.75Å
19L39.9Very low55.4Low18 Ų1890 Ų909%0.09442%0.417CS..Hα-helixtrans-59.9-45.8175-64.8171.8000111.1L15 K21 K22 K23 E24 L26L15-L19 HydrophobicContact CD1-CG 4.42Å; L15-L19 HydrophobicContact CG-CD1 3.99Å; L15-L19 HydrophobicContact CG-CG 4.34Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 WeakPolarHBondContact O-CG 3.33Å; L15-L19 PolarHBondContact O-N 3.19Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 2.8Å; L19-K22 PolarHBondContact O-N 3.41Å; L19-K23 PolarHBondContact O-N 2.86Å; L19-E24 WeakPolarHBondContact CA-O 3.4Å; L19-E24 WeakPolarHBondContact CB-O 3.25Å; L19-E24 HydrophobicContact CD2-CB 4.05Å; L19-E24 WeakPolarHBondContact CD2-O 3.37Å; L19-L26 HydrophobicContact CD1-CB 3.63Å; L19-L26 HydrophobicContact CD1-CD1 3.9Å; L19-L26 HydrophobicContact CD1-CG 4.27Å
20R49.4Very low57Low219 Ų21983.1 Ų83.183%0.82639%0.387SS*.Hα-helixtrans-57.8-41.2172.1-77.6-179-177.3175.40.1112.8R16 Q18R16-R20 WeakPolarHBondContact O-CG 3.36Å; R16-R20 PolarHBondContact O-N 2.9Å; Q18-R20 PolarHBondContact O-N 3.14Å
21K45.8Very low58.7Low186 Ų18680.5 Ų80.581%0.80938%0.376SS*.Hα-helixtrans-72.8-36.7-179.4-80.8-174.8176.9-1730113.2A17 Q18 L19A17-K21 WeakPolarHBondContact O-CG 3.36Å; A17-K21 PolarHBondContact O-N 3.45Å; Q18-K21 PolarHBondContact O-N 2.65Å; Q18-K21 VanDerWaalsContact O-N 3.11Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 2.8Å
22K41.4Very low60.6Low125 Ų12579 Ų7954%0.54336%0.358SS..Hα-helixtrans-96-8.9-171.6-74-169.2167-166.90114.5Q18 L19 E24Q18-K22 WeakPolarHBondContact O-CB 3.26Å; Q18-K22 PolarHBondContact O-N 2.75Å; L19-K22 PolarHBondContact O-N 3.41Å; K22-E24 HydrophobicContact CB-CB 4Å; K22-E24 HydrophobicContact CB-CG 3.82Å; K22-E24 HydrophobicContact CD-CG 4.14Å; K22-E24 VanDerWaalsContact CD-OE1 3.27Å; K22-E24 WeakPolarHBondContact CD-OE1 3.35Å; K22-E24 WeakPolarHBondContact CD-OE2 3.49Å; K22-E24 IonicContact NZ-OE1 2.84Å; K22-E24 PolarHBondContact NZ-OE1 3.42Å; K22-E24 IonicContact NZ-OE2 2.89Å; K22-E24 PolarHBondContact NZ-OE2 2.76Å; K22-E24 PolarHBondContact O-N 2.88Å
23K47.5Very low62.8Low203 Ų20379 Ų7988%0.88336%0.356SS*.  trans53.813.6-163.7-60.1-178.8175.2-178.80113L19L19-K23 PolarHBondContact O-N 2.86Å
24E48.5Very low64.7Low74 Ų7475.3 Ų75.335%0.34634%0.337SS..  trans-71.6133.2170.3-78.2173.1-173.300106.8L19 K22L19-E24 WeakPolarHBondContact CA-O 3.4Å; L19-E24 WeakPolarHBondContact CB-O 3.25Å; L19-E24 HydrophobicContact CD2-CB 4.05Å; L19-E24 WeakPolarHBondContact CD2-O 3.37Å; K22-E24 HydrophobicContact CB-CB 4Å; K22-E24 HydrophobicContact CB-CG 3.82Å; K22-E24 HydrophobicContact CD-CG 4.14Å; K22-E24 VanDerWaalsContact CD-OE1 3.27Å; K22-E24 WeakPolarHBondContact CD-OE1 3.35Å; K22-E24 WeakPolarHBondContact CD-OE2 3.49Å; K22-E24 IonicContact NZ-OE1 2.84Å; K22-E24 PolarHBondContact NZ-OE1 3.42Å; K22-E24 IonicContact NZ-OE2 2.89Å; K22-E24 PolarHBondContact NZ-OE2 2.76Å; K22-E24 PolarHBondContact O-N 2.88Å
25S63.1Low66.7Low11 Ų1167.5 Ų67.58%0.07731%0.307CS..  trans-82.7147.5177.1178.90000111.1A27 D28 M59S25-A27 PolarHBondContact O-N 3.44Å; S25-A27 WeakPolarHBondContact OG-CB 3.46Å; S25-A27 PolarHBondContact OG-N 2.87Å; S25-D28 VanDerWaalsContact CB-OD2 3.24Å; S25-D28 WeakPolarHBondContact CB-OD2 3.12Å; S25-D28 PolarHBondContact N-OD2 3.38Å; S25-D28 WeakPolarHBondContact O-CB 3.4Å; S25-D28 PolarHBondContact O-N 3.46Å; S25-D28 VanDerWaalsContact O-N 3.08Å; S25-M59 VanDerWaalsContact CB-CG 3.48Å; S25-M59 WeakPolarHBondContact OG-CG 2.86Å; S25-M59 PolarHBondContact OG-SD 2.85Å
26L67.7Low69.3Low9 Ų965.7 Ų65.75%0.04730%0.298CS..SBendtrans-57.4-37.8168.9-174.656.1000110.2L15 L19 D28 Q29 F30 Q208 L211 T212L15-L26 HydrophobicContact CD2-CD1 3.47Å; L15-L26 VanDerWaalsContact CD2-CD1 3.47Å; L15-L26 HydrophobicContact CG-CD1 4.19Å; L19-L26 HydrophobicContact CD1-CB 3.63Å; L19-L26 HydrophobicContact CD1-CD1 3.9Å; L19-L26 HydrophobicContact CD1-CG 4.27Å; L26-D28 PolarHBondContact O-N 2.78Å; L26-Q29 WeakPolarHBondContact O-CB 3.44Å; L26-Q29 PolarHBondContact O-N 3.46Å; L26-Q29 VanDerWaalsContact O-N 3.09Å; L26-F30 HydrophobicContact CD1-CE2 3.76Å; L26-F30 HydrophobicContact CD1-CZ 4.43Å; L26-F30 HydrophobicContact CG-CE2 3.84Å; L26-F30 WeakPolarHBondContact O-CD2 3.39Å; L26-F30 VanDerWaalsContact O-CE2 3.31Å; L26-F30 WeakPolarHBondContact O-CE2 3.48Å; L26-Q208 VanDerWaalsContact CB-OE1 3.27Å; L26-Q208 HydrophobicContact CD2-CB 4.43Å; L26-Q208 VanDerWaalsContact CD2-O 3.3Å; L26-Q208 WeakPolarHBondContact CD2-O 3.35Å; L26-L211 HydrophobicContact CB-CD1 4.18Å; L26-L211 HydrophobicContact CD2-CB 4.34Å; L26-L211 HydrophobicContact CD2-CD1 4.27Å; L26-L211 HydrophobicContact CG-CB 4.48Å; L26-L211 HydrophobicContact CG-CD1 4.01Å; L26-T212 HydrophobicContact CD2-CG2 4.35Å
27A78.2Confident71.5Confident0 Ų060.9 Ų60.90%028%0.28CS..G310 helixtrans-61.9-30177.700000112.9S25 Q29 F30 F32 P57 M59 V90 L211S25-A27 PolarHBondContact O-N 3.44Å; S25-A27 WeakPolarHBondContact OG-CB 3.46Å; S25-A27 PolarHBondContact OG-N 2.87Å; A27-Q29 PolarHBondContact O-N 3.32Å; A27-Q29 VanDerWaalsContact O-N 3.15Å; A27-F30 PolarHBondContact O-N 2.9Å; A27-F30 VanDerWaalsContact O-N 3.1Å; A27-F32 HydrophobicContact CB-CE2 4.38Å; A27-F32 HydrophobicContact CB-CZ 4.26Å; A27-P57 HydrophobicContact CB-CB 4.12Å; A27-M59 HydrophobicContact CB-SD 3.76Å; A27-V90 HydrophobicContact CB-CB 4.26Å; A27-V90 HydrophobicContact CB-CG2 3.72Å; A27-L211 HydrophobicContact CB-CD1 4Å
28D78.9Confident73.5Confident67 Ų6758.6 Ų58.636%0.35826%0.261SS..G310 helixtrans-67-15.6178-61.4-31.1000112.3S25 L26 K133S25-D28 VanDerWaalsContact CB-OD2 3.24Å; S25-D28 WeakPolarHBondContact CB-OD2 3.12Å; S25-D28 PolarHBondContact N-OD2 3.38Å; S25-D28 WeakPolarHBondContact O-CB 3.4Å; S25-D28 PolarHBondContact O-N 3.46Å; S25-D28 VanDerWaalsContact O-N 3.08Å; L26-D28 PolarHBondContact O-N 2.78Å; D28-K133 WeakPolarHBondContact O-CD 3.47Å; D28-K133 WeakPolarHBondContact O-CE 3.48Å; D28-K133 PolarHBondContact O-NZ 3.12Å
29Q79.5Confident75.8Confident64 Ų6454 Ų5430%0.29924%0.241SC..G310 helixtrans-89.7-1.3177.8-53.1-59.3-50.900113.1L26 A27 W132 K133L26-Q29 WeakPolarHBondContact O-CB 3.44Å; L26-Q29 PolarHBondContact O-N 3.46Å; L26-Q29 VanDerWaalsContact O-N 3.09Å; A27-Q29 PolarHBondContact O-N 3.32Å; A27-Q29 VanDerWaalsContact O-N 3.15Å; Q29-W132 HydrophobicContact CB-CE3 4.03Å; Q29-W132 HydrophobicContact CB-CZ3 3.85Å; Q29-W132 WeakPolarHBondContact O-CA 3.48Å; Q29-K133 PolarHBondContact O-N 2.82Å
30F87.5Confident78.5Confident2 Ų254.4 Ų54.41%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-118.2142.4-179.6-63.3-90.6000112.5L26 A27 F32 R131 W132 K133 L211 T212 W214L26-F30 HydrophobicContact CD1-CE2 3.76Å; L26-F30 HydrophobicContact CD1-CZ 4.43Å; L26-F30 HydrophobicContact CG-CE2 3.84Å; L26-F30 WeakPolarHBondContact O-CD2 3.39Å; L26-F30 VanDerWaalsContact O-CE2 3.31Å; L26-F30 WeakPolarHBondContact O-CE2 3.48Å; A27-F30 PolarHBondContact O-N 2.9Å; A27-F30 VanDerWaalsContact O-N 3.1Å; F30-F32 HydrophobicContact CB-CE1 4.12Å; F30-F32 HydrophobicContact CB-CE2 3.98Å; F30-F32 HydrophobicContact CB-CZ 3.71Å; F30-R131 CarbonylContact C-O 3.58Å; F30-R131 WeakPolarHBondContact CA-O 3.21Å; F30-R131 WeakPolarHBondContact CB-O 3.47Å; F30-R131 WeakPolarHBondContact CD1-O 3.11Å; F30-W132 HydrophobicContact CD1-CD2 4.48Å; F30-W132 HydrophobicContact CD1-CE3 4.34Å; F30-W132 AromaticContact CE1-CD2 3.83Å; F30-W132 HydrophobicContact CE1-CD2 3.83Å; F30-W132 AromaticContact CE1-CE3 3.78Å; F30-W132 HydrophobicContact CE1-CE3 3.78Å; F30-W132 HydrophobicContact CE1-CG 4.49Å; F30-W132 HydrophobicContact CE1-CH2 4.06Å; F30-W132 HydrophobicContact CE1-CZ2 4.11Å; F30-W132 AromaticContact CE1-CZ3 3.91Å; F30-W132 HydrophobicContact CE1-CZ3 3.91Å; F30-W132 HydrophobicContact CE2-CE3 4.17Å; F30-W132 HydrophobicContact CE2-CH2 4.08Å; F30-W132 AromaticContact CE2-CZ3 3.69Å; F30-W132 HydrophobicContact CE2-CZ3 3.69Å; F30-W132 HydrophobicContact CZ-CD2 4.11Å; F30-W132 AromaticContact CZ-CE3 3.69Å; F30-W132 HydrophobicContact CZ-CE3 3.69Å; F30-W132 AromaticContact CZ-CH2 3.38Å; F30-W132 HydrophobicContact CZ-CH2 3.38Å; F30-W132 AromaticContact CZ-CZ2 3.82Å; F30-W132 HydrophobicContact CZ-CZ2 3.82Å; F30-W132 AromaticContact CZ-CZ3 3.32Å; F30-W132 HydrophobicContact CZ-CZ3 3.32Å; F30-K133 WeakPolarHBondContact O-CE 3.21Å; F30-L211 HydrophobicContact CD2-CB 4.29Å; F30-L211 HydrophobicContact CD2-CD1 4.5Å; F30-L211 HydrophobicContact CE2-CB 3.98Å; F30-L211 HydrophobicContact CZ-CB 4.3Å; F30-T212 HydrophobicContact CZ-CG2 4.04Å; F30-W214 HydrophobicContact CD1-CZ2 4.24Å; F30-W214 HydrophobicContact CE1-CH2 4.14Å; F30-W214 AromaticContact CE1-CZ2 3.64Å; F30-W214 HydrophobicContact CE1-CZ2 3.64Å
31D92.2Very high80.7Confident50 Ų5048.7 Ų48.727%0.26722%0.223SC..EExtended strand (participates in β ladder)trans-84.9144.6155.5-71.5-30.6000108.5S130 R131 K133 F139D31-S130 VanDerWaalsContact O-CA 3.23Å; D31-S130 WeakPolarHBondContact O-CA 3.39Å; D31-R131 HydrophobicContact CB-CG 3.92Å; D31-R131 PolarHBondContact N-O 3.04Å; D31-R131 PolarHBondContact O-N 3.14Å; D31-R131 VanDerWaalsContact O-N 3.08Å; D31-R131 IonicContact OD2-CZ 2.78Å; D31-R131 IonicContact OD2-NE 3.79Å; D31-R131 PolarHBondContact OD2-NE 3.4Å; D31-R131 IonicContact OD2-NH2 3.5Å; D31-R131 PolarHBondContact OD2-NH2 2.94Å; D31-R131 VanDerWaalsContact OD2-NH2 3.11Å; D31-K133 WeakPolarHBondContact OD1-CG 3.18Å; D31-F139 HydrophobicContact CB-CE1 3.84Å; D31-F139 HydrophobicContact CB-CZ 3.87Å
32F95.1Very high82.8Confident28 Ų2844.3 Ų44.312%0.12321%0.205CC..EExtended strand (participates in β ladder)trans-119145.2179.1-63.6-77.9000111.4A27 F30 V55 P57 L92 L128 F129 L211A27-F32 HydrophobicContact CB-CE2 4.38Å; A27-F32 HydrophobicContact CB-CZ 4.26Å; F30-F32 HydrophobicContact CB-CE1 4.12Å; F30-F32 HydrophobicContact CB-CE2 3.98Å; F30-F32 HydrophobicContact CB-CZ 3.71Å; F32-V55 HydrophobicContact CB-CB 3.78Å; F32-V55 HydrophobicContact CB-CG1 3.77Å; F32-V55 HydrophobicContact CB-CG2 4.25Å; F32-V55 HydrophobicContact CG-CG1 4.29Å; F32-P57 HydrophobicContact CD2-CB 4.48Å; F32-P57 HydrophobicContact CD2-CG 4.37Å; F32-P57 HydrophobicContact CE2-CB 4.03Å; F32-P57 HydrophobicContact CE2-CG 4.17Å; F32-L92 HydrophobicContact CD1-CD2 4.13Å; F32-L92 HydrophobicContact CD2-CD2 4.09Å; F32-L92 HydrophobicContact CE1-CD1 4.48Å; F32-L92 HydrophobicContact CE1-CD2 4.04Å; F32-L92 HydrophobicContact CE2-CD2 4.01Å; F32-L92 HydrophobicContact CG-CD2 4.14Å; F32-L92 HydrophobicContact CZ-CD2 3.98Å; F32-L128 HydrophobicContact CD1-CD1 4.16Å; F32-F129 WeakPolarHBondContact CA-O 3.32Å; F32-L211 HydrophobicContact CE1-CD2 3.44Å; F32-L211 VanDerWaalsContact CE1-CD2 3.44Å; F32-L211 HydrophobicContact CZ-CD2 3.57Å
33K96.3Very high84.9Confident49 Ų4948.2 Ų48.221%0.21322%0.222CC..EExtended strand (participates in β ladder)trans-133.7134169.7-170.6166.2-164.5-179.60108.9Y35 E51 F129 F139 I219K33-Y35 HydrophobicContact CD-CE2 4.1Å; K33-Y35 WeakPolarHBondContact CE-OH 3.22Å; K33-Y35 HydrophobicContact CG-CE2 3.95Å; K33-Y35 PolarHBondContact NZ-OH 3.49Å; K33-E51 WeakPolarHBondContact CE-OE1 3.19Å; K33-E51 IonicContact NZ-OE1 2.63Å; K33-E51 PolarHBondContact NZ-OE1 2.74Å; K33-F129 HydrophobicContact CB-CB 4.3Å; K33-F129 PolarHBondContact N-O 3.25Å; K33-F129 PolarHBondContact O-N 3.09Å; K33-F139 HydrophobicContact CB-CD1 3.68Å; K33-F139 HydrophobicContact CB-CE1 3.76Å; K33-F139 HydrophobicContact CB-CG 4.12Å; K33-F139 HydrophobicContact CB-CZ 4.25Å; K33-F139 HydrophobicContact CD-CD2 4.41Å; K33-I219 HydrophobicContact CD-CD1 3.85Å
34M97.8Very high86.6Confident0 Ų047.6 Ų47.60%022%0.22CC..EExtended strand (participates in β ladder)trans-133.4145.5-177.8-173.8164.877.700112I36 V52 V55 A94 C126 L127 L128 L204M34-I36 HydrophobicContact CE-CD1 4.41Å; M34-I36 HydrophobicContact CE-CG1 4.46Å; M34-V52 HydrophobicContact CB-CB 3.98Å; M34-V52 HydrophobicContact CB-CG1 4.49Å; M34-V52 HydrophobicContact CB-CG2 4.02Å; M34-V52 HydrophobicContact CE-CB 4.38Å; M34-V52 HydrophobicContact CE-CG1 4.27Å; M34-V52 HydrophobicContact CE-CG2 3.67Å; M34-V52 HydrophobicContact CG-CG2 4.06Å; M34-V52 VanDerWaalsContact O-CB 3.31Å; M34-V52 WeakPolarHBondContact O-CB 3.44Å; M34-V52 PolarHBondContact O-N 3.16Å; M34-V55 HydrophobicContact CB-CG2 3.6Å; M34-A94 HydrophobicContact CE-CB 3.07Å; M34-C126 HydrophobicContact SD-CB 4.35Å; M34-L127 CarbonylContact C-O 3.54Å; M34-L127 VanDerWaalsContact CA-O 3.28Å; M34-L127 WeakPolarHBondContact CA-O 3.41Å; M34-L128 HydrophobicContact CB-CD1 4.38Å; M34-L204 HydrophobicContact SD-CD1 3.32Å; M34-L204 WeakPolarHBondContact SD-CD1 3.44Å; M34-L204 HydrophobicContact SD-CG 3.84Å
35Y97.6Very high88.4Confident9 Ų949.1 Ų49.14%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-127.5148.1170.6-59.2-98000110.1K33 F50 E51 M100 C126 L127 F129 I219 L223K33-Y35 HydrophobicContact CD-CE2 4.1Å; K33-Y35 WeakPolarHBondContact CE-OH 3.22Å; K33-Y35 HydrophobicContact CG-CE2 3.95Å; K33-Y35 PolarHBondContact NZ-OH 3.49Å; Y35-F50 CarbonylContact C-O 3.52Å; Y35-F50 VanDerWaalsContact CA-O 3.24Å; Y35-F50 WeakPolarHBondContact CA-O 3.27Å; Y35-E51 HydrophobicContact CD1-CB 3.81Å; Y35-E51 HydrophobicContact CD1-CG 4.14Å; Y35-E51 HydrophobicContact CE1-CB 3.71Å; Y35-E51 HydrophobicContact CE1-CG 3.72Å; Y35-M100 HydrophobicContact CE1-CE 4.33Å; Y35-M100 HydrophobicContact CE1-SD 4.32Å; Y35-C126 CarbonylContact O-C 3.51Å; Y35-C126 WeakPolarHBondContact O-CA 3.44Å; Y35-L127 PolarHBondContact N-O 3.18Å; Y35-L127 PolarHBondContact O-N 3.46Å; Y35-F129 HydrophobicContact CD2-CD2 4.02Å; Y35-F129 AromaticContact CD2-CE2 3.68Å; Y35-F129 HydrophobicContact CD2-CE2 3.68Å; Y35-F129 HydrophobicContact CE2-CD2 4.14Å; Y35-F129 AromaticContact CE2-CE2 3.99Å; Y35-F129 HydrophobicContact CE2-CE2 3.99Å; Y35-I219 HydrophobicContact CE2-CG2 3.76Å; Y35-I219 WeakPolarHBondContact OH-CG2 3.38Å; Y35-L223 HydrophobicContact CD1-CD1 4Å; Y35-L223 HydrophobicContact CD1-CD2 3.87Å; Y35-L223 HydrophobicContact CD2-CD1 4.34Å; Y35-L223 HydrophobicContact CD2-CD2 3.81Å; Y35-L223 HydrophobicContact CD2-CG 4.5Å; Y35-L223 HydrophobicContact CE1-CD1 3.72Å; Y35-L223 HydrophobicContact CE1-CD2 4.41Å; Y35-L223 HydrophobicContact CE2-CD1 4.05Å; Y35-L223 HydrophobicContact CE2-CD2 4.34Å; Y35-L223 HydrophobicContact CG-CD1 4.28Å; Y35-L223 HydrophobicContact CG-CD2 3.52Å; Y35-L223 HydrophobicContact CG-CG 4.49Å
36I97.5Very high89.5Confident0 Ų053 Ų530%024%0.24CC..EExtended strand (participates in β ladder)trans-122.7122-179.8-58161.2000107.8M34 F38 F50 V52 M111 I124 I202M34-I36 HydrophobicContact CE-CD1 4.41Å; M34-I36 HydrophobicContact CE-CG1 4.46Å; I36-F38 HydrophobicContact CG2-CD2 4.4Å; I36-F38 HydrophobicContact CG2-CE2 3.77Å; I36-F38 HydrophobicContact CG2-CZ 3.9Å; I36-F50 PolarHBondContact N-O 2.92Å; I36-F50 PolarHBondContact O-N 2.9Å; I36-V52 HydrophobicContact CD1-CG2 3.46Å; I36-V52 VanDerWaalsContact CD1-CG2 3.46Å; I36-V52 HydrophobicContact CG1-CG2 3.81Å; I36-M111 HydrophobicContact CD1-CE 3.31Å; I36-M111 HydrophobicContact CD1-SD 4.15Å; I36-I124 HydrophobicContact CG2-CG2 4.05Å; I36-I202 HydrophobicContact CD1-CD1 3.69Å; I36-I202 HydrophobicContact CD1-CG1 4.34Å; I36-I202 HydrophobicContact CG1-CD1 4.03Å; I36-I202 HydrophobicContact CG2-CD1 3.8Å
37A96.7Very high90.7Very high0 Ų053.3 Ų53.30%024%0.243CC..EExtended strand (participates in β ladder)trans-112.2123.917600000110.3A48 L49 I124 V125 Y226A37-A48 WeakPolarHBondContact CA-O 3.44Å; A37-L49 HydrophobicContact CB-CD1 3.94Å; A37-I124 WeakPolarHBondContact O-CA 3.4Å; A37-V125 HydrophobicContact CB-CB 4.38Å; A37-V125 PolarHBondContact N-O 3.14Å; A37-V125 PolarHBondContact O-N 2.84Å; A37-Y226 HydrophobicContact CB-CD1 3.67Å; A37-Y226 HydrophobicContact CB-CE1 4.33Å; A37-Y226 HydrophobicContact CB-CG 3.8Å
38F96.3Very high91.4Very high0 Ų054.1 Ų54.10%025%0.25CS..EExtended strand (participates in β ladder)trans-93.8103.7166.3-57.4-91.6000108I36 S47 A48 F50 F113 L115 I124 L199I36-F38 HydrophobicContact CG2-CD2 4.4Å; I36-F38 HydrophobicContact CG2-CE2 3.77Å; I36-F38 HydrophobicContact CG2-CZ 3.9Å; F38-S47 VanDerWaalsContact O-CA 3.3Å; F38-S47 WeakPolarHBondContact O-CA 3.23Å; F38-S47 WeakPolarHBondContact O-CB 3.45Å; F38-A48 HydrophobicContact CB-CB 4.26Å; F38-A48 HydrophobicContact CD2-CB 4.42Å; F38-A48 PolarHBondContact N-O 2.76Å; F38-A48 PolarHBondContact O-N 3.27Å; F38-F50 AromaticContact CD2-CD2 3.8Å; F38-F50 HydrophobicContact CD2-CD2 3.8Å; F38-F50 AromaticContact CD2-CE2 3.62Å; F38-F50 HydrophobicContact CD2-CE2 3.62Å; F38-F50 AromaticContact CE2-CD2 3.67Å; F38-F50 HydrophobicContact CE2-CD2 3.67Å; F38-F50 AromaticContact CE2-CE2 3.69Å; F38-F50 HydrophobicContact CE2-CE2 3.69Å; F38-F113 HydrophobicContact CB-CE1 4.39Å; F38-F113 HydrophobicContact CB-CZ 3.97Å; F38-F113 AromaticContact CD1-CD1 3.85Å; F38-F113 HydrophobicContact CD1-CD1 3.85Å; F38-F113 AromaticContact CD1-CE1 3.59Å; F38-F113 HydrophobicContact CD1-CE1 3.59Å; F38-F113 HydrophobicContact CD1-CE2 4.45Å; F38-F113 HydrophobicContact CD1-CG 4.38Å; F38-F113 AromaticContact CD1-CZ 3.91Å; F38-F113 HydrophobicContact CD1-CZ 3.91Å; F38-F113 HydrophobicContact CD2-CD2 4.08Å; F38-F113 HydrophobicContact CD2-CE1 4.39Å; F38-F113 AromaticContact CD2-CE2 3.79Å; F38-F113 HydrophobicContact CD2-CE2 3.79Å; F38-F113 HydrophobicContact CD2-CG 4.49Å; F38-F113 AromaticContact CD2-CZ 3.94Å; F38-F113 HydrophobicContact CD2-CZ 3.94Å; F38-F113 HydrophobicContact CE1-CB 4.43Å; F38-F113 AromaticContact CE1-CD1 3.66Å; F38-F113 HydrophobicContact CE1-CD1 3.66Å; F38-F113 HydrophobicContact CE1-CD2 4.46Å; F38-F113 AromaticContact CE1-CE1 3.92Å; F38-F113 HydrophobicContact CE1-CE1 3.92Å; F38-F113 AromaticContact CE1-CG 3.94Å; F38-F113 HydrophobicContact CE1-CG 3.94Å; F38-F113 HydrophobicContact CE1-CZ 4.42Å; F38-F113 HydrophobicContact CE2-CD1 4.46Å; F38-F113 AromaticContact CE2-CD2 3.83Å; F38-F113 HydrophobicContact CE2-CD2 3.83Å; F38-F113 HydrophobicContact CE2-CE2 4.04Å; F38-F113 HydrophobicContact CE2-CG 4.04Å; F38-F113 HydrophobicContact CE2-CZ 4.43Å; F38-F113 HydrophobicContact CG-CD1 4.36Å; F38-F113 HydrophobicContact CG-CD2 4.49Å; F38-F113 AromaticContact CG-CE1 3.86Å; F38-F113 HydrophobicContact CG-CE1 3.86Å; F38-F113 HydrophobicContact CG-CE2 4.01Å; F38-F113 AromaticContact CG-CZ 3.65Å; F38-F113 HydrophobicContact CG-CZ 3.65Å; F38-F113 HydrophobicContact CZ-CB 4.03Å; F38-F113 AromaticContact CZ-CD1 3.98Å; F38-F113 HydrophobicContact CZ-CD1 3.98Å; F38-F113 HydrophobicContact CZ-CD2 4.04Å; F38-F113 HydrophobicContact CZ-CE1 4.43Å; F38-F113 HydrophobicContact CZ-CE2 4.48Å; F38-F113 AromaticContact CZ-CG 3.75Å; F38-F113 HydrophobicContact CZ-CG 3.75Å; F38-L115 HydrophobicContact CD1-CD2 4.3Å; F38-L115 HydrophobicContact CE1-CD2 3.95Å; F38-I124 HydrophobicContact CD1-CD1 4.37Å; F38-I124 HydrophobicContact CD1-CG1 3.85Å; F38-I124 HydrophobicContact CE1-CD1 4.07Å; F38-I124 HydrophobicContact CE1-CG1 4Å; F38-I124 HydrophobicContact CE1-CG2 4.32Å; F38-L199 HydrophobicContact CE1-CD2 4.05Å; F38-L199 HydrophobicContact CZ-CD2 3.81Å
39V96Very high92.2Very high21 Ų2151 Ų5113%0.12723%0.234CC..EExtended strand (participates in β ladder)trans-85.7127.1-178.9-175.20000108.5I121 E122 K123 V125 Y226V39-I121 CarbonylContact O-C 3.41Å; V39-E122 PolarHBondContact O-N 3.15Å; V39-K123 HydrophobicContact CB-CG 4.04Å; V39-K123 HydrophobicContact CG2-CG 4.23Å; V39-K123 PolarHBondContact N-O 3.01Å; V39-K123 PolarHBondContact O-N 3.48Å; V39-V125 HydrophobicContact CG2-CG2 3.99Å; V39-Y226 HydrophobicContact CG2-CD1 3.94Å; V39-Y226 HydrophobicContact CG2-CE1 3.83Å
40F95.5Very high92.9Very high25 Ų2549.2 Ų49.211%0.1123%0.225CC..EExtended strand (participates in β ladder)trans-90.8146.9179.4-58-62.8000111.9E42 K45 K46 A48 R118 D120 I121F40-E42 PolarHBondContact O-N 3.32Å; F40-K45 HydrophobicContact CB-CB 4.13Å; F40-K45 HydrophobicContact CD2-CB 4.1Å; F40-K45 HydrophobicContact CG-CB 4.45Å; F40-K46 WeakPolarHBondContact CD2-O 3.26Å; F40-K46 WeakPolarHBondContact CE2-O 3.13Å; F40-A48 HydrophobicContact CE2-CB 4.16Å; F40-A48 HydrophobicContact CZ-CB 3.97Å; F40-R118 VanDerWaalsContact CE1-NH2 3.25Å; F40-D120 CarbonylContact C-O 3.47Å; F40-D120 VanDerWaalsContact CA-O 3.25Å; F40-D120 WeakPolarHBondContact CA-O 3.42Å; F40-D120 WeakPolarHBondContact CB-O 3.32Å; F40-I121 HydrophobicContact CD1-CG1 4.2Å; F40-I121 HydrophobicContact CE1-CG1 4.11Å
41K94.9Very high93.3Very high100 Ų10051.4 Ų51.444%0.43524%0.235SC..SBendtrans-60.4-34.9177.6-67.1-179.6-179.1159.40112.3K43 N119 D120 I121 E122 H150K41-K43 PolarHBondContact O-N 2.91Å; K41-K43 VanDerWaalsContact O-N 3.14Å; K41-N119 WeakPolarHBondContact CD-O 3.45Å; K41-N119 WeakPolarHBondContact CE-O 3.35Å; K41-N119 PolarHBondContact NZ-O 3.14Å; K41-D120 PolarHBondContact N-O 3.34Å; K41-I121 WeakPolarHBondContact CE-O 3.38Å; K41-E122 HydrophobicContact CG-CB 3.83Å; K41-E122 HydrophobicContact CG-CG 4.48Å; K41-H150 PolarHBondContact NZ-ND1 3Å; K41-H150 VanDerWaalsContact NZ-ND1 3.15Å
42E91.4Very high93.5Very high94 Ų9449.3 Ų49.344%0.43922%0.224SC..SBendtrans-74.4103.5176.1-173.7176.1177.100109.2F40 K44 K45F40-E42 PolarHBondContact O-N 3.32Å; E42-K44 HydrophobicContact CG-CB 4.29Å; E42-K44 PolarHBondContact O-N 3.47Å; E42-K45 HydrophobicContact CB-CB 4.25Å; E42-K45 HydrophobicContact CB-CD 4.08Å; E42-K45 HydrophobicContact CB-CG 4.1Å; E42-K45 HydrophobicContact CG-CD 4.44Å; E42-K45 HydrophobicContact CG-CG 4.12Å; E42-K45 WeakPolarHBondContact O-CA 3.3Å; E42-K45 WeakPolarHBondContact O-CB 3.36Å; E42-K45 PolarHBondContact O-N 2.91Å; E42-K45 VanDerWaalsContact OE2-CD 3.22Å; E42-K45 WeakPolarHBondContact OE2-CD 3.46Å; E42-K45 WeakPolarHBondContact OE2-CE 3.48Å; E42-K45 IonicContact OE2-NZ 2.71Å; E42-K45 PolarHBondContact OE2-NZ 3.32Å
43K84.2Confident93.3Very high206 Ų20650.4 Ų50.490%0.89624%0.235SC*.THydrogen-bonded Turntrans-56.7-21.1-178.1-63-173.6178-176.60114.8K41K41-K43 PolarHBondContact O-N 2.91Å; K41-K43 VanDerWaalsContact O-N 3.14Å
44K84.3Confident93Very high191 Ų19152.1 Ų52.183%0.8324%0.244SC*.THydrogen-bonded Turntrans-77.2-25174.4-66.8-174178.1-177.90112.6E42E42-K44 HydrophobicContact CG-CB 4.29Å; E42-K44 PolarHBondContact O-N 3.47Å
45K85.2Confident92.7Very high106 Ų10653 Ų5346%0.46125%0.25SC..SBendtrans-81.7124175.2-73.3-177.7173.3141.70109F40 E42F40-K45 HydrophobicContact CB-CB 4.13Å; F40-K45 HydrophobicContact CD2-CB 4.1Å; F40-K45 HydrophobicContact CG-CB 4.45Å; E42-K45 HydrophobicContact CB-CB 4.25Å; E42-K45 HydrophobicContact CB-CD 4.08Å; E42-K45 HydrophobicContact CB-CG 4.1Å; E42-K45 HydrophobicContact CG-CD 4.44Å; E42-K45 HydrophobicContact CG-CG 4.12Å; E42-K45 WeakPolarHBondContact O-CA 3.3Å; E42-K45 WeakPolarHBondContact O-CB 3.36Å; E42-K45 PolarHBondContact O-N 2.91Å; E42-K45 VanDerWaalsContact OE2-CD 3.22Å; E42-K45 WeakPolarHBondContact OE2-CD 3.46Å; E42-K45 WeakPolarHBondContact OE2-CE 3.48Å; E42-K45 IonicContact OE2-NZ 2.71Å; E42-K45 PolarHBondContact OE2-NZ 3.32Å
46K85.9Confident92.3Very high91 Ų9155.5 Ų55.540%0.39626%0.263SS..PPolyproline II helixtrans-68.6147.1175.3-58.4-172.8-175.1172.80110.2F40 E229F40-K46 WeakPolarHBondContact CD2-O 3.26Å; F40-K46 WeakPolarHBondContact CE2-O 3.13Å; K46-E229 VanDerWaalsContact NZ-N 3.19Å; K46-E229 PolarHBondContact NZ-O 3.36Å; K46-E229 IonicContact NZ-OE2 3.19Å; K46-E229 PolarHBondContact NZ-OE2 3.11Å
47S93.1Very high91.7Very high16 Ų1657.4 Ų57.411%0.11228%0.275CS..PPolyproline II helixtrans-60.2148.3176.8-56.90000111.3F38 L49F38-S47 VanDerWaalsContact O-CA 3.3Å; F38-S47 WeakPolarHBondContact O-CA 3.23Å; F38-S47 WeakPolarHBondContact O-CB 3.45Å; S47-L49 PolarHBondContact O-N 2.86Å
48A93.1Very high90.9Very high18 Ų1860 Ų6015%0.14929%0.291CS..EExtended strand (participates in β ladder)trans-85.4110.6166.700000108.6A37 F38 F40 F50 F113A37-A48 WeakPolarHBondContact CA-O 3.44Å; F38-A48 HydrophobicContact CB-CB 4.26Å; F38-A48 HydrophobicContact CD2-CB 4.42Å; F38-A48 PolarHBondContact N-O 2.76Å; F38-A48 PolarHBondContact O-N 3.27Å; F40-A48 HydrophobicContact CE2-CB 4.16Å; F40-A48 HydrophobicContact CZ-CB 3.97Å; A48-F50 HydrophobicContact CB-CE2 3.75Å; A48-F50 HydrophobicContact CB-CZ 4.39Å; A48-F113 HydrophobicContact CB-CE2 4.39Å
49L95.1Very high89.6Confident1 Ų162.6 Ų62.61%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-105.5133.2-176.3-176.164.9000110.9A37 S47 M100 L223 M227A37-L49 HydrophobicContact CB-CD1 3.94Å; S47-L49 PolarHBondContact O-N 2.86Å; L49-M100 HydrophobicContact CB-CB 4.27Å; L49-M100 HydrophobicContact CD2-CB 4.21Å; L49-M100 HydrophobicContact CD2-CG 4.24Å; L49-M100 HydrophobicContact CG-CB 4.13Å; L49-M100 HydrophobicContact CG-CG 4.02Å; L49-M100 WeakPolarHBondContact O-CB 3.42Å; L49-M100 PolarHBondContact O-N 3.34Å; L49-L223 HydrophobicContact CD1-CD2 4.13Å; L49-L223 HydrophobicContact CD2-CD2 4.18Å; L49-M227 HydrophobicContact CD2-CG 4.21Å
50F95.5Very high87.6Confident26 Ų2663 Ų6311%0.11431%0.306CS..EExtended strand (participates in β ladder)trans-129.9139179.5-60.3-96.8000110.5Y35 I36 F38 A48 Y97 Q98 F113Y35-F50 CarbonylContact C-O 3.52Å; Y35-F50 VanDerWaalsContact CA-O 3.24Å; Y35-F50 WeakPolarHBondContact CA-O 3.27Å; I36-F50 PolarHBondContact N-O 2.92Å; I36-F50 PolarHBondContact O-N 2.9Å; F38-F50 AromaticContact CD2-CD2 3.8Å; F38-F50 HydrophobicContact CD2-CD2 3.8Å; F38-F50 AromaticContact CD2-CE2 3.62Å; F38-F50 HydrophobicContact CD2-CE2 3.62Å; F38-F50 AromaticContact CE2-CD2 3.67Å; F38-F50 HydrophobicContact CE2-CD2 3.67Å; F38-F50 AromaticContact CE2-CE2 3.69Å; F38-F50 HydrophobicContact CE2-CE2 3.69Å; A48-F50 HydrophobicContact CB-CE2 3.75Å; A48-F50 HydrophobicContact CB-CZ 4.39Å; F50-Y97 HydrophobicContact CB-CD2 3.54Å; F50-Y97 HydrophobicContact CB-CE2 4.3Å; F50-Y97 HydrophobicContact CB-CG 4.12Å; F50-Y97 AromaticContact CD1-CD2 3.53Å; F50-Y97 HydrophobicContact CD1-CD2 3.53Å; F50-Y97 AromaticContact CD1-CE2 3.6Å; F50-Y97 HydrophobicContact CD1-CE2 3.6Å; F50-Y97 HydrophobicContact CD1-CG 4.03Å; F50-Y97 HydrophobicContact CD2-CD2 4.22Å; F50-Y97 HydrophobicContact CD2-CE2 4.14Å; F50-Y97 HydrophobicContact CE1-CD2 4.29Å; F50-Y97 AromaticContact CE1-CE2 3.88Å; F50-Y97 HydrophobicContact CE1-CE2 3.88Å; F50-Y97 HydrophobicContact CE2-CE2 4.38Å; F50-Y97 AromaticContact CG-CD2 3.5Å; F50-Y97 HydrophobicContact CG-CD2 3.5Å; F50-Y97 AromaticContact CG-CE2 3.76Å; F50-Y97 HydrophobicContact CG-CE2 3.76Å; F50-Y97 HydrophobicContact CG-CG 4.29Å; F50-Y97 HydrophobicContact CZ-CE2 4.27Å; F50-Q98 CarbonylContact C-O 3.56Å; F50-Q98 WeakPolarHBondContact CA-O 3.47Å; F50-F113 HydrophobicContact CE2-CD2 4.17Å; F50-F113 HydrophobicContact CE2-CE2 4.02Å; F50-F113 HydrophobicContact CZ-CD2 4.15Å; F50-F113 HydrophobicContact CZ-CE2 4.17Å
51E95.9Very high85.7Confident48 Ų4868 Ų6822%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-88.9131.7167.2-180171.3-163.700109.1K33 Y35 Y97 Q98 M100K33-E51 WeakPolarHBondContact CE-OE1 3.19Å; K33-E51 IonicContact NZ-OE1 2.63Å; K33-E51 PolarHBondContact NZ-OE1 2.74Å; Y35-E51 HydrophobicContact CD1-CB 3.81Å; Y35-E51 HydrophobicContact CD1-CG 4.14Å; Y35-E51 HydrophobicContact CE1-CB 3.71Å; Y35-E51 HydrophobicContact CE1-CG 3.72Å; E51-Y97 CarbonylContact O-C 3.6Å; E51-Y97 WeakPolarHBondContact O-CA 3.27Å; E51-Y97 WeakPolarHBondContact O-CB 3.13Å; E51-Q98 PolarHBondContact N-O 2.89Å; E51-Q98 PolarHBondContact O-N 2.93Å; E51-M100 HydrophobicContact CB-CG 4.25Å; E51-M100 HydrophobicContact CB-SD 3.7Å
52V96.2Very high83.6Confident7 Ų769.2 Ų69.24%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-80.7123.4174.8173.20000108.2M34 I36 E54 V55 A94 M111M34-V52 HydrophobicContact CB-CB 3.98Å; M34-V52 HydrophobicContact CB-CG1 4.49Å; M34-V52 HydrophobicContact CB-CG2 4.02Å; M34-V52 HydrophobicContact CE-CB 4.38Å; M34-V52 HydrophobicContact CE-CG1 4.27Å; M34-V52 HydrophobicContact CE-CG2 3.67Å; M34-V52 HydrophobicContact CG-CG2 4.06Å; M34-V52 VanDerWaalsContact O-CB 3.31Å; M34-V52 WeakPolarHBondContact O-CB 3.44Å; M34-V52 PolarHBondContact O-N 3.16Å; I36-V52 HydrophobicContact CD1-CG2 3.46Å; I36-V52 VanDerWaalsContact CD1-CG2 3.46Å; I36-V52 HydrophobicContact CG1-CG2 3.81Å; V52-E54 VanDerWaalsContact C-N 3.3Å; V52-E54 WeakPolarHBondContact CG1-O 3.45Å; V52-E54 PolarHBondContact O-N 3.12Å; V52-V55 HydrophobicContact CB-CG2 4.48Å; V52-V55 HydrophobicContact CG1-CG2 3.87Å; V52-A94 HydrophobicContact CB-CB 4.41Å; V52-A94 HydrophobicContact CG1-CB 3.51Å; V52-A94 HydrophobicContact CG2-CB 4.01Å; V52-M111 HydrophobicContact CG2-CE 4.33Å
53S91.1Very high81.7Confident51 Ų5165.8 Ų65.836%0.35733%0.329SS..SBendtrans-71.6-28.8-174.862.20000113.2R96 T108S53-R96 PolarHBondContact N-O 3.47Å; S53-R96 WeakPolarHBondContact OG-CB 3.42Å; S53-R96 PolarHBondContact OG-O 2.85Å; S53-T108 WeakPolarHBondContact OG-CG2 2.76Å
54E89.5Confident80.5Confident84 Ų8461.2 Ų61.239%0.39331%0.31SS..  trans-151.7127.3-176.9-175.1-179.9-174.300109.1V52 I56 R96V52-E54 VanDerWaalsContact C-N 3.3Å; V52-E54 WeakPolarHBondContact CG1-O 3.45Å; V52-E54 PolarHBondContact O-N 3.12Å; E54-I56 HydrophobicContact CG-CG1 3.9Å; E54-R96 IonicContact OE2-CZ 3.09Å; E54-R96 IonicContact OE2-NH2 3.87Å; E54-R96 PolarHBondContact OE2-NH2 2.9Å
55V92.6Very high79.1Confident19 Ų1959.2 Ų59.212%0.11530%0.304CS..  trans-107.6114.4172.8-178.70000106.9F32 M34 V52 P57 L92 H93F32-V55 HydrophobicContact CB-CB 3.78Å; F32-V55 HydrophobicContact CB-CG1 3.77Å; F32-V55 HydrophobicContact CB-CG2 4.25Å; F32-V55 HydrophobicContact CG-CG1 4.29Å; M34-V55 HydrophobicContact CB-CG2 3.6Å; V52-V55 HydrophobicContact CB-CG2 4.48Å; V52-V55 HydrophobicContact CG1-CG2 3.87Å; V55-P57 WeakPolarHBondContact O-CD 3.5Å; V55-L92 HydrophobicContact CG1-CB 3.86Å; V55-L92 HydrophobicContact CG1-CD2 3.92Å; V55-L92 HydrophobicContact CG1-CG 4.43Å; V55-H93 WeakPolarHBondContact CA-O 3.3Å
56I87.9Confident77.9Confident62 Ų6259 Ų5932%0.31831%0.308SS..EExtended strand (participates in β ladder)trans-97.6104.1-176.5-54.4172.8000108.1E54 V58 H93 P95E54-I56 HydrophobicContact CG-CG1 3.9Å; I56-V58 HydrophobicContact CG2-CG2 4.09Å; I56-V58 PolarHBondContact O-N 3.4Å; I56-H93 HydrophobicContact CB-CB 4.29Å; I56-H93 PolarHBondContact N-O 3.06Å; I56-H93 PolarHBondContact O-N 2.8Å; I56-P95 HydrophobicContact CD1-CG 4.08Å
57P86.3Confident76.4Confident40 Ų4055 Ų5526%0.2629%0.291SS..EExtended strand (participates in β ladder)trans-72.7118.1172.830-33000109.3A27 F32 V55 V90 Q91 L92A27-P57 HydrophobicContact CB-CB 4.12Å; F32-P57 HydrophobicContact CD2-CB 4.48Å; F32-P57 HydrophobicContact CD2-CG 4.37Å; F32-P57 HydrophobicContact CE2-CB 4.03Å; F32-P57 HydrophobicContact CE2-CG 4.17Å; V55-P57 WeakPolarHBondContact O-CD 3.5Å; P57-V90 HydrophobicContact CB-CG2 4.01Å; P57-Q91 CarbonylContact C-O 3.59Å; P57-Q91 VanDerWaalsContact CA-O 3.31Å; P57-Q91 WeakPolarHBondContact CA-O 3.22Å; P57-L92 HydrophobicContact CB-CD2 3.97Å
58V78.1Confident74.9Confident55 Ų5557.1 Ų57.133%0.33330%0.301SS..EExtended strand (participates in β ladder)trans-110.9124.4171.2-178.60000108I56 T60 Q91I56-V58 HydrophobicContact CG2-CG2 4.09Å; I56-V58 PolarHBondContact O-N 3.4Å; V58-T60 HydrophobicContact CG1-CG2 4.19Å; V58-Q91 HydrophobicContact CB-CB 4.24Å; V58-Q91 PolarHBondContact N-O 3.02Å; V58-Q91 WeakPolarHBondContact O-CB 3.43Å; V58-Q91 PolarHBondContact O-N 3.05Å
59M69.7Low73.6Confident53 Ų5361.7 Ų61.726%0.26132%0.317SS..EExtended strand (participates in β ladder)trans-96.4124.4176.2-63.1-57.1-42.900109.9S25 A27 V89 V90 Q208S25-M59 VanDerWaalsContact CB-CG 3.48Å; S25-M59 WeakPolarHBondContact OG-CG 2.86Å; S25-M59 PolarHBondContact OG-SD 2.85Å; A27-M59 HydrophobicContact CB-SD 3.76Å; M59-V89 WeakPolarHBondContact CE-O 3.4Å; M59-V90 HydrophobicContact CE-CB 4.24Å; M59-V90 HydrophobicContact SD-CB 3.58Å; M59-V90 VanDerWaalsContact SD-CB 3.58Å; M59-V90 HydrophobicContact SD-CG2 3.56Å; M59-V90 VanDerWaalsContact SD-CG2 3.56Å; M59-Q208 HydrophobicContact CE-CG 3.95Å
60T55.1Low71.8Confident30 Ų3061.9 Ų61.918%0.18432%0.319CS..  trans-122.656.5-176.941.20000106.8V58 N62 Y63 Q91V58-T60 HydrophobicContact CG1-CG2 4.19Å; T60-N62 PolarHBondContact O-N 2.93Å; T60-Y63 VanDerWaalsContact CB-CE1 3.44Å; T60-Y63 HydrophobicContact CG2-CD1 4.17Å; T60-Y63 HydrophobicContact CG2-CE1 3.53Å; T60-Y63 HydrophobicContact CG2-CE2 4.23Å; T60-Y63 WeakPolarHBondContact O-CD2 3.17Å; T60-Y63 WeakPolarHBondContact OG1-CE2 3.35Å; T60-Y63 PolarHBondContact OG1-OH 2.97Å; T60-Q91 HydrophobicContact CG2-CG 4.47Å
61N54Low69.7Low130 Ų13062.5 Ų62.570%0.69533%0.325SS*.THydrogen-bonded Turntrans-65.511.5174-154.25000112.3
62N50.9Low68.4Low126 Ų12667.9 Ų67.967%0.67434%0.343SS*.THydrogen-bonded Turntrans-149.458.9179.5-165.66.8000112.2T60 E64T60-N62 PolarHBondContact O-N 2.93Å; N62-E64 PolarHBondContact O-N 2.86Å
63Y52.9Low67.3Low22 Ų2272.2 Ų72.29%0.08637%0.367CS..  trans-74.7-0.9174.8-79.9-67.8000115T60 E65 N66 I67 Q91 Y205T60-Y63 VanDerWaalsContact CB-CE1 3.44Å; T60-Y63 HydrophobicContact CG2-CD1 4.17Å; T60-Y63 HydrophobicContact CG2-CE1 3.53Å; T60-Y63 HydrophobicContact CG2-CE2 4.23Å; T60-Y63 WeakPolarHBondContact O-CD2 3.17Å; T60-Y63 WeakPolarHBondContact OG1-CE2 3.35Å; T60-Y63 PolarHBondContact OG1-OH 2.97Å; Y63-E65 PolarHBondContact O-N 2.82Å; Y63-N66 HydrophobicContact CD1-CB 4.44Å; Y63-N66 PolarHBondContact O-N 3.19Å; Y63-I67 VanDerWaalsContact CB-CD1 3.41Å; Y63-I67 HydrophobicContact CG-CD1 4.19Å; Y63-I67 WeakPolarHBondContact O-CB 3.38Å; Y63-I67 PolarHBondContact O-N 2.87Å; Y63-Q91 WeakPolarHBondContact OH-CG 3.35Å; Y63-Q91 PolarHBondContact OH-NE2 2.91Å; Y63-Y205 VanDerWaalsContact OH-CZ 3.26Å; Y63-Y205 PolarHBondContact OH-OH 2.93Å; Y63-Y205 VanDerWaalsContact OH-OH 3.12Å
64E57.4Low66.1Low109 Ų10975 Ų7551%0.50939%0.386SS..Hα-helixtrans-48.8-45-170.5-166.9173.9179.900111.7N62 L68 L85N62-E64 PolarHBondContact O-N 2.86Å; E64-L68 HydrophobicContact CG-CD1 3.82Å; E64-L68 HydrophobicContact CG-CG 4.43Å; E64-L68 WeakPolarHBondContact O-CB 3.43Å; E64-L68 WeakPolarHBondContact O-CD1 3.49Å; E64-L68 WeakPolarHBondContact O-CG 3.49Å; E64-L68 PolarHBondContact O-N 3.06Å; E64-L85 VanDerWaalsContact CA-CD2 3.5Å; E64-L85 HydrophobicContact CB-CD2 4Å; E64-L85 HydrophobicContact CG-CD1 4.39Å
65E56.4Low64.9Low150 Ų15074.8 Ų74.870%0.70139%0.394SS*.Hα-helixtrans-66-45.9179-167.4177.2-175.900114.1Y63 K69Y63-E65 PolarHBondContact O-N 2.82Å; E65-K69 WeakPolarHBondContact O-CB 3.35Å; E65-K69 PolarHBondContact O-N 2.84Å
66N59.3Low63.4Low101 Ų10177.6 Ų77.654%0.5440%0.403SS..Hα-helixtrans-70.4-38.5-178.5-75.9-31.6000112.1Y63 K69 G70 Y76Y63-N66 HydrophobicContact CD1-CB 4.44Å; Y63-N66 PolarHBondContact O-N 3.19Å; N66-K69 WeakPolarHBondContact O-CB 3.26Å; N66-K69 PolarHBondContact O-N 3.43Å; N66-G70 PolarHBondContact O-N 2.81Å; N66-G70 VanDerWaalsContact O-N 3.14Å; N66-Y76 PolarHBondContact O-OH 2.77Å
67I53.6Low62.3Low8 Ų877 Ų774%0.04140%0.404CS..Hα-helixtrans-67.2-48.2176.3-76.7173000109.8Y63 K69 G70 V71 Y76 S81 L84 L85Y63-I67 VanDerWaalsContact CB-CD1 3.41Å; Y63-I67 HydrophobicContact CG-CD1 4.19Å; Y63-I67 WeakPolarHBondContact O-CB 3.38Å; Y63-I67 PolarHBondContact O-N 2.87Å; I67-K69 PolarHBondContact O-N 3.16Å; I67-G70 PolarHBondContact O-N 2.76Å; I67-G70 VanDerWaalsContact O-N 3.09Å; I67-V71 PolarHBondContact O-N 3.38Å; I67-V71 VanDerWaalsContact O-N 3.08Å; I67-Y76 WeakPolarHBondContact CA-OH 3.18Å; I67-Y76 HydrophobicContact CG2-CE2 4.31Å; I67-Y76 VanDerWaalsContact O-CE2 3.28Å; I67-Y76 WeakPolarHBondContact O-CE2 3.3Å; I67-Y76 PolarHBondContact O-OH 2.76Å; I67-S81 VanDerWaalsContact CG2-OG 3.25Å; I67-S81 WeakPolarHBondContact CG2-OG 3.29Å; I67-L84 HydrophobicContact CD1-CB 3.53Å; I67-L84 HydrophobicContact CD1-CD1 4.49Å; I67-L84 HydrophobicContact CG1-CB 4.4Å; I67-L85 HydrophobicContact CD1-CD2 3.69Å; I67-L85 HydrophobicContact CD1-CG 3.72Å; I67-L85 HydrophobicContact CG2-CD1 4.37Å; I67-L85 HydrophobicContact CG2-CG 4.31Å
68L62.3Low61.2Low60 Ų6079.7 Ų79.731%0.31442%0.416SS..Hα-helixtrans-62.8-28.9175.7-69.6173.7000112E64 R72E64-L68 HydrophobicContact CG-CD1 3.82Å; E64-L68 HydrophobicContact CG-CG 4.43Å; E64-L68 WeakPolarHBondContact O-CB 3.43Å; E64-L68 WeakPolarHBondContact O-CD1 3.49Å; E64-L68 WeakPolarHBondContact O-CG 3.49Å; E64-L68 PolarHBondContact O-N 3.06Å; L68-R72 WeakPolarHBondContact O-CG 3.45Å; L68-R72 PolarHBondContact O-N 3.1Å
69K65.5Low60.5Low113 Ų11384 Ų8449%0.49143%0.433SS..Hα-helixtrans-64.1-46.7171.4-172.1-178.7175.6-176.70111.9E65 N66 I67 V71 R72 D73E65-K69 WeakPolarHBondContact O-CB 3.35Å; E65-K69 PolarHBondContact O-N 2.84Å; N66-K69 WeakPolarHBondContact O-CB 3.26Å; N66-K69 PolarHBondContact O-N 3.43Å; I67-K69 PolarHBondContact O-N 3.16Å; K69-V71 VanDerWaalsContact C-N 3.31Å; K69-V71 PolarHBondContact O-N 3.13Å; K69-R72 WeakPolarHBondContact O-CB 3.49Å; K69-R72 PolarHBondContact O-N 3.28Å; K69-R72 VanDerWaalsContact O-N 3.14Å; K69-D73 WeakPolarHBondContact O-CB 3.49Å; K69-D73 VanDerWaalsContact O-CG 3.29Å; K69-D73 PolarHBondContact O-N 2.95Å
70G57Low60Low5 Ų583.4 Ų83.45%0.05243%0.434CS..Hα-helixtrans-67.8-28.2178.300000114N66 I67 D73 S74 S75 Y76N66-G70 PolarHBondContact O-N 2.81Å; N66-G70 VanDerWaalsContact O-N 3.14Å; I67-G70 PolarHBondContact O-N 2.76Å; I67-G70 VanDerWaalsContact O-N 3.09Å; G70-D73 CarbonylContact O-C 3.53Å; G70-D73 PolarHBondContact O-N 3.18Å; G70-S74 PolarHBondContact O-N 3.24Å; G70-S74 VanDerWaalsContact O-N 3.14Å; G70-S75 WeakPolarHBondContact O-CB 2.97Å; G70-S75 PolarHBondContact O-N 2.9Å; G70-Y76 VanDerWaalsContact CA-CZ 3.46Å; G70-Y76 WeakPolarHBondContact CA-OH 3.42Å
71V52.9Low59.9Low40 Ų4082 Ų8224%0.24243%0.425CS..Hα-helixtrans-64.5-47.5168178.70000110.7I67 K69 D73 S74 Y76 L78 S81I67-V71 PolarHBondContact O-N 3.38Å; I67-V71 VanDerWaalsContact O-N 3.08Å; K69-V71 VanDerWaalsContact C-N 3.31Å; K69-V71 PolarHBondContact O-N 3.13Å; V71-D73 VanDerWaalsContact C-N 3.27Å; V71-D73 PolarHBondContact O-N 2.92Å; V71-S74 PolarHBondContact O-N 3.08Å; V71-Y76 HydrophobicContact CG2-CD2 4.28Å; V71-Y76 HydrophobicContact CG2-CE2 4.3Å; V71-L78 HydrophobicContact CG1-CB 4.36Å; V71-L78 HydrophobicContact CG1-CD1 4.47Å; V71-L78 HydrophobicContact CG2-CD1 4.36Å; V71-S81 WeakPolarHBondContact CG2-OG 3.36Å
72R67.2Low60.1Low160 Ų16079.8 Ų79.860%0.60441%0.412SS*.Hα-helixtrans-59-40.2175.9-72.9-175.3-62.9-102.74.2111.8L68 K69 S74L68-R72 WeakPolarHBondContact O-CG 3.45Å; L68-R72 PolarHBondContact O-N 3.1Å; K69-R72 WeakPolarHBondContact O-CB 3.49Å; K69-R72 PolarHBondContact O-N 3.28Å; K69-R72 VanDerWaalsContact O-N 3.14Å; R72-S74 PolarHBondContact O-N 3.41Å
73D73.6Confident60.7Low99 Ų9979.1 Ų79.153%0.52941%0.405SS..THydrogen-bonded Turntrans-81.16.2179.4-63.2-14.8000112.7K69 G70 V71 S75K69-D73 WeakPolarHBondContact O-CB 3.49Å; K69-D73 VanDerWaalsContact O-CG 3.29Å; K69-D73 PolarHBondContact O-N 2.95Å; G70-D73 CarbonylContact O-C 3.53Å; G70-D73 PolarHBondContact O-N 3.18Å; V71-D73 VanDerWaalsContact C-N 3.27Å; V71-D73 PolarHBondContact O-N 2.92Å; D73-S75 PolarHBondContact O-N 2.76Å
74S65.9Low60.8Low110 Ų11079.4 Ų79.477%0.76941%0.408SS*.THydrogen-bonded Turntrans52.428.3-177.3-56.70000113.9G70 V71 R72G70-S74 PolarHBondContact O-N 3.24Å; G70-S74 VanDerWaalsContact O-N 3.14Å; V71-S74 PolarHBondContact O-N 3.08Å; R72-S74 PolarHBondContact O-N 3.41Å
75S63.8Low60.7Low79 Ų7977.7 Ų77.755%0.55240%0.402SS*.SBendtrans-78.2-24.8178.7-61.40000111.9G70 D73G70-S75 WeakPolarHBondContact O-CB 2.97Å; G70-S75 PolarHBondContact O-N 2.9Å; D73-S75 PolarHBondContact O-N 2.76Å
76Y61.6Low60.9Low77 Ų7777.8 Ų77.830%0.30240%0.403SS..SBendtrans-161.9164.1174.938.4-98.6000111.4N66 I67 G70 V71 S81N66-Y76 PolarHBondContact O-OH 2.77Å; I67-Y76 WeakPolarHBondContact CA-OH 3.18Å; I67-Y76 HydrophobicContact CG2-CE2 4.31Å; I67-Y76 VanDerWaalsContact O-CE2 3.28Å; I67-Y76 WeakPolarHBondContact O-CE2 3.3Å; I67-Y76 PolarHBondContact O-OH 2.76Å; G70-Y76 VanDerWaalsContact CA-CZ 3.46Å; G70-Y76 WeakPolarHBondContact CA-OH 3.42Å; V71-Y76 HydrophobicContact CG2-CD2 4.28Å; V71-Y76 HydrophobicContact CG2-CE2 4.3Å; Y76-S81 VanDerWaalsContact CD2-OG 3.23Å; Y76-S81 WeakPolarHBondContact CD2-OG 3.45Å; Y76-S81 VanDerWaalsContact CE2-OG 3.31Å; Y76-S81 WeakPolarHBondContact CE2-OG 3.49Å
77S66Low61Low50 Ų5078 Ų7835%0.3540%0.398SS..  trans-78155.5-17774.40000113.3E79 S80 S81S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 2.85Å; S77-S80 WeakPolarHBondContact O-CB 3.22Å; S77-S80 PolarHBondContact O-N 2.88Å; S77-S80 PolarHBondContact OG-N 3.02Å; S77-S80 PolarHBondContact OG-OG 2.83Å; S77-S81 PolarHBondContact O-N 2.97Å; S77-S81 PolarHBondContact O-OG 2.82Å
78L61.4Low61.9Low96 Ų9680.8 Ų80.850%0.50341%0.414SS..Hα-helixtrans-59.8-34.7176.3-177.565.3000112.5V71 S81 I82V71-L78 HydrophobicContact CG1-CB 4.36Å; V71-L78 HydrophobicContact CG1-CD1 4.47Å; V71-L78 HydrophobicContact CG2-CD1 4.36Å; L78-S81 VanDerWaalsContact O-CB 3.26Å; L78-S81 WeakPolarHBondContact O-CB 3.38Å; L78-S81 PolarHBondContact O-N 3.33Å; L78-I82 HydrophobicContact CG-CD1 4.4Å; L78-I82 WeakPolarHBondContact O-CG1 3.17Å; L78-I82 PolarHBondContact O-N 2.86Å
79E64.3Low62.7Low146 Ų14678.5 Ų78.568%0.68240%0.402SS*.Hα-helixtrans-64.9-46.5176-65.6131.3169.100111S77 S81 I82 E83S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 2.85Å; E79-S81 PolarHBondContact O-N 2.89Å; E79-I82 PolarHBondContact O-N 3.42Å; E79-E83 PolarHBondContact O-N 3.19Å; E79-E83 VanDerWaalsContact O-N 3.1Å
80S58.5Low63.6Low41 Ų4173.1 Ų73.129%0.28738%0.379SS..Hα-helixtrans-59.1-36.2175.5-54.20000111.1S77 E83 L84S77-S80 WeakPolarHBondContact O-CB 3.22Å; S77-S80 PolarHBondContact O-N 2.88Å; S77-S80 PolarHBondContact OG-N 3.02Å; S77-S80 PolarHBondContact OG-OG 2.83Å; S80-E83 PolarHBondContact O-N 2.93Å; S80-L84 VanDerWaalsContact O-CG 3.28Å; S80-L84 WeakPolarHBondContact O-CG 3.48Å; S80-L84 PolarHBondContact O-N 2.94Å
81S54.2Low65.1Low1 Ų174 Ų741%0.00738%0.381CS..Hα-helixtrans-65.4-42.6175.9-71.20000114.3I67 V71 Y76 S77 L78 E79 E83 L84 L85I67-S81 VanDerWaalsContact CG2-OG 3.25Å; I67-S81 WeakPolarHBondContact CG2-OG 3.29Å; V71-S81 WeakPolarHBondContact CG2-OG 3.36Å; Y76-S81 VanDerWaalsContact CD2-OG 3.23Å; Y76-S81 WeakPolarHBondContact CD2-OG 3.45Å; Y76-S81 VanDerWaalsContact CE2-OG 3.31Å; Y76-S81 WeakPolarHBondContact CE2-OG 3.49Å; S77-S81 PolarHBondContact O-N 2.97Å; S77-S81 PolarHBondContact O-OG 2.82Å; L78-S81 VanDerWaalsContact O-CB 3.26Å; L78-S81 WeakPolarHBondContact O-CB 3.38Å; L78-S81 PolarHBondContact O-N 3.33Å; E79-S81 PolarHBondContact O-N 2.89Å; S81-E83 VanDerWaalsContact C-N 3.34Å; S81-L84 WeakPolarHBondContact O-CB 3.46Å; S81-L84 PolarHBondContact O-N 3.14Å; S81-L85 WeakPolarHBondContact O-CG 3.2Å; S81-L85 PolarHBondContact O-N 2.86Å
82I58Low67Low83 Ų8372 Ų7243%0.42637%0.37SS..Hα-helixtrans-65.3-41.7175.9-67.7167.4000110.1L78 E79 L84 L85 Q86L78-I82 HydrophobicContact CG-CD1 4.4Å; L78-I82 WeakPolarHBondContact O-CG1 3.17Å; L78-I82 PolarHBondContact O-N 2.86Å; E79-I82 PolarHBondContact O-N 3.42Å; I82-L84 VanDerWaalsContact C-N 3.29Å; I82-L84 PolarHBondContact O-N 2.84Å; I82-L85 PolarHBondContact O-N 2.78Å; I82-Q86 WeakPolarHBondContact O-CG 3.48Å; I82-Q86 PolarHBondContact O-N 2.95Å
83E62.4Low68.2Low112 Ų11266.3 Ų66.352%0.52335%0.35SS..Hα-helixtrans-60.6-39.4174.6-69.9-175.1-175.200112.3E79 S80 S81 Q86 K87E79-E83 PolarHBondContact O-N 3.19Å; E79-E83 VanDerWaalsContact O-N 3.1Å; S80-E83 PolarHBondContact O-N 2.93Å; S81-E83 VanDerWaalsContact C-N 3.34Å; E83-Q86 PolarHBondContact O-N 3.38Å; E83-K87 VanDerWaalsContact O-CG 3.32Å; E83-K87 WeakPolarHBondContact O-CG 3.5Å; E83-K87 PolarHBondContact O-N 3.05Å
84L55.2Low69.2Low28 Ų2861.6 Ų61.615%0.14733%0.325CS..Hα-helixtrans-65.3-39.3175-75.4169.1000112I67 S80 S81 I82 Q86 K87I67-L84 HydrophobicContact CD1-CB 3.53Å; I67-L84 HydrophobicContact CD1-CD1 4.49Å; I67-L84 HydrophobicContact CG1-CB 4.4Å; S80-L84 VanDerWaalsContact O-CG 3.28Å; S80-L84 WeakPolarHBondContact O-CG 3.48Å; S80-L84 PolarHBondContact O-N 2.94Å; S81-L84 WeakPolarHBondContact O-CB 3.46Å; S81-L84 PolarHBondContact O-N 3.14Å; I82-L84 VanDerWaalsContact C-N 3.29Å; I82-L84 PolarHBondContact O-N 2.84Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-K87 PolarHBondContact O-N 3.29Å
85L55.7Low70.3Confident72 Ų7258.4 Ų58.438%0.37730%0.301SS..Hα-helixtrans-68.7-30.9177.6-73.8168.8000113.3E64 I67 S81 I82E64-L85 VanDerWaalsContact CA-CD2 3.5Å; E64-L85 HydrophobicContact CB-CD2 4Å; E64-L85 HydrophobicContact CG-CD1 4.39Å; I67-L85 HydrophobicContact CD1-CD2 3.69Å; I67-L85 HydrophobicContact CD1-CG 3.72Å; I67-L85 HydrophobicContact CG2-CD1 4.37Å; I67-L85 HydrophobicContact CG2-CG 4.31Å; S81-L85 WeakPolarHBondContact O-CG 3.2Å; S81-L85 PolarHBondContact O-N 2.86Å; I82-L85 PolarHBondContact O-N 2.78Å
86Q60.8Low71.6Confident153 Ų15359.5 Ų59.572%0.71529%0.293SS*.Hα-helixtrans-77.7-23.3178.1-71.8178.5-1.400113I82 E83 L84 D88I82-Q86 WeakPolarHBondContact O-CG 3.48Å; I82-Q86 PolarHBondContact O-N 2.95Å; E83-Q86 PolarHBondContact O-N 3.38Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-D88 PolarHBondContact O-N 3.16Å
87K60.6Low73.2Confident104 Ų10456.7 Ų56.745%0.45228%0.282SS..SBendtrans-80.5107.5176.8-69.1171.2-174.1170.70108.3E83 L84 V89E83-K87 VanDerWaalsContact O-CG 3.32Å; E83-K87 WeakPolarHBondContact O-CG 3.5Å; E83-K87 PolarHBondContact O-N 3.05Å; L84-K87 PolarHBondContact O-N 3.29Å; K87-V89 HydrophobicContact CB-CG2 3.6Å; K87-V89 WeakPolarHBondContact O-CG2 3.39Å; K87-V89 PolarHBondContact O-N 3.47Å
88D72.8Confident74.4Confident68 Ų6857.8 Ų57.836%0.36428%0.282SS..  trans-68.795.4167.6-171.25.7000108.5Q86 P207 Q208Q86-D88 PolarHBondContact O-N 3.16Å; D88-P207 CarbonylContact O-C 3.53Å; D88-P207 WeakPolarHBondContact O-CA 3.49Å; D88-Q208 VanDerWaalsContact CG-CD 3.47Å; D88-Q208 PolarHBondContact O-N 3.33Å; D88-Q208 PolarHBondContact OD1-NE2 2.82Å; D88-Q208 VanDerWaalsContact OD2-CD 3.24Å; D88-Q208 PolarHBondContact OD2-NE2 2.98Å
89V78.8Confident75.9Confident12 Ų1254.7 Ų54.77%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-110.2139.2-170.7175.60000110.3M59 K87 Y205 L206M59-V89 WeakPolarHBondContact CE-O 3.4Å; K87-V89 HydrophobicContact CB-CG2 3.6Å; K87-V89 WeakPolarHBondContact O-CG2 3.39Å; K87-V89 PolarHBondContact O-N 3.47Å; V89-Y205 HydrophobicContact CG1-CD2 3.84Å; V89-Y205 HydrophobicContact CG1-CG 3.85Å; V89-L206 WeakPolarHBondContact CA-O 3.38Å
90V85Confident77.1Confident0 Ų050.6 Ų50.60%025%0.25CC..EExtended strand (participates in β ladder)trans-93.4132.5161.858.30000109.6A27 P57 M59 L92 L206 L211A27-V90 HydrophobicContact CB-CB 4.26Å; A27-V90 HydrophobicContact CB-CG2 3.72Å; P57-V90 HydrophobicContact CB-CG2 4.01Å; M59-V90 HydrophobicContact CE-CB 4.24Å; M59-V90 HydrophobicContact SD-CB 3.58Å; M59-V90 VanDerWaalsContact SD-CB 3.58Å; M59-V90 HydrophobicContact SD-CG2 3.56Å; M59-V90 VanDerWaalsContact SD-CG2 3.56Å; V90-L92 HydrophobicContact CG1-CG 4.41Å; V90-L92 HydrophobicContact CG2-CD2 3.87Å; V90-L92 HydrophobicContact CG2-CG 4.17Å; V90-L206 HydrophobicContact CG1-CB 3.94Å; V90-L206 HydrophobicContact CG1-CD2 4.38Å; V90-L206 VanDerWaalsContact CG1-O 3.28Å; V90-L206 WeakPolarHBondContact CG1-O 3.43Å; V90-L206 PolarHBondContact N-O 3.4Å; V90-L206 PolarHBondContact O-N 3.47Å; V90-L211 HydrophobicContact CG1-CD1 4.15Å; V90-L211 HydrophobicContact CG1-CD2 4.13Å; V90-L211 HydrophobicContact CG1-CG 4.3Å
91Q89Confident78.4Confident22 Ų2254.2 Ų54.210%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-88.1130.4165.4-62.6-172-32.800109.4P57 V58 T60 Y63 H93 L204 Y205P57-Q91 CarbonylContact C-O 3.59Å; P57-Q91 VanDerWaalsContact CA-O 3.31Å; P57-Q91 WeakPolarHBondContact CA-O 3.22Å; V58-Q91 HydrophobicContact CB-CB 4.24Å; V58-Q91 PolarHBondContact N-O 3.02Å; V58-Q91 WeakPolarHBondContact O-CB 3.43Å; V58-Q91 PolarHBondContact O-N 3.05Å; T60-Q91 HydrophobicContact CG2-CG 4.47Å; Y63-Q91 WeakPolarHBondContact OH-CG 3.35Å; Y63-Q91 PolarHBondContact OH-NE2 2.91Å; Q91-H93 PolarHBondContact OE1-NE2 2.92Å; Q91-L204 CarbonylContact C-O 3.57Å; Q91-L204 WeakPolarHBondContact CA-O 3.33Å; Q91-Y205 HydrophobicContact CB-CE1 4.42Å; Q91-Y205 HydrophobicContact CG-CD1 4.02Å; Q91-Y205 HydrophobicContact CG-CE1 3.55Å; Q91-Y205 VanDerWaalsContact NE2-CZ 3.33Å; Q91-Y205 PolarHBondContact NE2-OH 3.45Å
92L92.9Very high79.7Confident0 Ų065.4 Ų65.40%030%0.299CS..EExtended strand (participates in β ladder)trans-115.998177.4-61.6165.6000108.2F32 V55 P57 V90 L128 C203 L204 L206F32-L92 HydrophobicContact CD1-CD2 4.13Å; F32-L92 HydrophobicContact CD2-CD2 4.09Å; F32-L92 HydrophobicContact CE1-CD1 4.48Å; F32-L92 HydrophobicContact CE1-CD2 4.04Å; F32-L92 HydrophobicContact CE2-CD2 4.01Å; F32-L92 HydrophobicContact CG-CD2 4.14Å; F32-L92 HydrophobicContact CZ-CD2 3.98Å; V55-L92 HydrophobicContact CG1-CB 3.86Å; V55-L92 HydrophobicContact CG1-CD2 3.92Å; V55-L92 HydrophobicContact CG1-CG 4.43Å; P57-L92 HydrophobicContact CB-CD2 3.97Å; V90-L92 HydrophobicContact CG1-CG 4.41Å; V90-L92 HydrophobicContact CG2-CD2 3.87Å; V90-L92 HydrophobicContact CG2-CG 4.17Å; L92-L128 HydrophobicContact CD1-CD1 3.89Å; L92-L128 HydrophobicContact CD1-CD2 3.32Å; L92-L128 HydrophobicContact CD1-CG 4.25Å; L92-C203 WeakPolarHBondContact O-CA 3.44Å; L92-L204 HydrophobicContact CB-CB 4.23Å; L92-L204 PolarHBondContact N-O 3.49Å; L92-L204 PolarHBondContact O-N 3.49Å; L92-L206 HydrophobicContact CD1-CB 4.46Å; L92-L206 HydrophobicContact CD1-CD2 4.48Å
93H92.2Very high80.8Confident40 Ų4066.7 Ų66.719%0.18531%0.307CS..EExtended strand (participates in β ladder)trans-86.3137.3-177.3-68.6-94.1000111.1V55 I56 Q91 C203V55-H93 WeakPolarHBondContact CA-O 3.3Å; I56-H93 HydrophobicContact CB-CB 4.29Å; I56-H93 PolarHBondContact N-O 3.06Å; I56-H93 PolarHBondContact O-N 2.8Å; Q91-H93 PolarHBondContact OE1-NE2 2.92Å; H93-C203 VanDerWaalsContact CE1-SG 3.5Å
94A93.6Very high81.5Confident0 Ų064.4 Ų64.40%030%0.3CS..EExtended strand (participates in β ladder)trans-127.696.5175.500000109.6M34 V52 M111 S201 I202M34-A94 HydrophobicContact CE-CB 3.07Å; V52-A94 HydrophobicContact CB-CB 4.41Å; V52-A94 HydrophobicContact CG1-CB 3.51Å; V52-A94 HydrophobicContact CG2-CB 4.01Å; A94-M111 HydrophobicContact CB-CE 3.65Å; A94-M111 WeakPolarHBondContact O-CE 3.21Å; A94-M111 VanDerWaalsContact O-SD 3.38Å; A94-S201 WeakPolarHBondContact O-CB 3.37Å; A94-I202 PolarHBondContact N-O 3.22Å; A94-I202 PolarHBondContact O-N 3.08Å
95P89.4Confident82.1Confident42 Ų4271.6 Ų71.627%0.27334%0.337SS..  trans-86.8-21.8179.932.3-33.9000113I56 M111I56-P95 HydrophobicContact CD1-CG 4.08Å; P95-M111 PolarHBondContact O-N 3.21Å
96R91.6Very high82.6Confident102 Ų10269.6 Ų69.639%0.38533%0.334SS..EExtended strand (participates in β ladder)trans-136.9148.5-169.8-65.7-174.7-62.7170.3-0.6111.6S53 E54 T108 Q109S53-R96 PolarHBondContact N-O 3.47Å; S53-R96 WeakPolarHBondContact OG-CB 3.42Å; S53-R96 PolarHBondContact OG-O 2.85Å; E54-R96 IonicContact OE2-CZ 3.09Å; E54-R96 IonicContact OE2-NH2 3.87Å; E54-R96 PolarHBondContact OE2-NH2 2.9Å; R96-T108 HydrophobicContact CB-CG2 3.88Å; R96-Q109 CarbonylContact C-O 3.54Å; R96-Q109 VanDerWaalsContact CA-O 3.22Å; R96-Q109 WeakPolarHBondContact CA-O 3.28Å; R96-Q109 WeakPolarHBondContact CB-O 3.31Å
97Y94.3Very high83.6Confident18 Ų1866.7 Ų66.77%0.07133%0.33CS..EExtended strand (participates in β ladder)trans-151.2168.1-176.568-9.7000112.6F50 E51 Q109 E110 M111 D112F50-Y97 HydrophobicContact CB-CD2 3.54Å; F50-Y97 HydrophobicContact CB-CE2 4.3Å; F50-Y97 HydrophobicContact CB-CG 4.12Å; F50-Y97 AromaticContact CD1-CD2 3.53Å; F50-Y97 HydrophobicContact CD1-CD2 3.53Å; F50-Y97 AromaticContact CD1-CE2 3.6Å; F50-Y97 HydrophobicContact CD1-CE2 3.6Å; F50-Y97 HydrophobicContact CD1-CG 4.03Å; F50-Y97 HydrophobicContact CD2-CD2 4.22Å; F50-Y97 HydrophobicContact CD2-CE2 4.14Å; F50-Y97 HydrophobicContact CE1-CD2 4.29Å; F50-Y97 AromaticContact CE1-CE2 3.88Å; F50-Y97 HydrophobicContact CE1-CE2 3.88Å; F50-Y97 HydrophobicContact CE2-CE2 4.38Å; F50-Y97 AromaticContact CG-CD2 3.5Å; F50-Y97 HydrophobicContact CG-CD2 3.5Å; F50-Y97 AromaticContact CG-CE2 3.76Å; F50-Y97 HydrophobicContact CG-CE2 3.76Å; F50-Y97 HydrophobicContact CG-CG 4.29Å; F50-Y97 HydrophobicContact CZ-CE2 4.27Å; E51-Y97 CarbonylContact O-C 3.6Å; E51-Y97 WeakPolarHBondContact O-CA 3.27Å; E51-Y97 WeakPolarHBondContact O-CB 3.13Å; Y97-Q109 PolarHBondContact N-O 2.83Å; Y97-Q109 PolarHBondContact O-N 2.82Å; Y97-E110 WeakPolarHBondContact CE1-O 3.24Å; Y97-M111 HydrophobicContact CD1-CB 4.47Å; Y97-M111 HydrophobicContact CD1-CG 3.87Å; Y97-M111 HydrophobicContact CD2-CE 4.39Å; Y97-M111 HydrophobicContact CD2-CG 3.93Å; Y97-M111 VanDerWaalsContact CE1-CA 3.47Å; Y97-M111 HydrophobicContact CE1-CB 4.2Å; Y97-M111 HydrophobicContact CE1-CG 4.06Å; Y97-M111 HydrophobicContact CE2-CB 4.45Å; Y97-M111 HydrophobicContact CE2-CG 4.09Å; Y97-M111 HydrophobicContact CG-CE 4.35Å; Y97-M111 HydrophobicContact CG-CG 3.82Å; Y97-D112 PolarHBondContact OH-N 2.83Å
98Q92.5Very high84.8Confident74 Ų7464.3 Ų64.335%0.34632%0.324SS..EExtended strand (participates in β ladder)trans-135.2136.5176.5-172.5178.316.300109.5F50 E51 G106F50-Q98 CarbonylContact C-O 3.56Å; F50-Q98 WeakPolarHBondContact CA-O 3.47Å; E51-Q98 PolarHBondContact N-O 2.89Å; E51-Q98 PolarHBondContact O-N 2.93Å; Q98-G106 PolarHBondContact NE2-O 3.24Å
99S91.7Very high85.6Confident30 Ų3066.5 Ų66.521%0.2133%0.332CS..EExtended strand (participates in β ladder)trans-64.7133.1175.7172.60000110.9R101S99-R101 VanDerWaalsContact C-N 3.28Å; S99-R101 WeakPolarHBondContact OG-CB 3.44Å; S99-R101 PolarHBondContact OG-N 3.41Å
100M90.8Very high86.1Confident61 Ų6173.3 Ų73.330%0.336%0.363SS..  trans-84.6-0.3175.7-69.5-64.8-69.500113.5Y35 L49 E51Y35-M100 HydrophobicContact CE1-CE 4.33Å; Y35-M100 HydrophobicContact CE1-SD 4.32Å; L49-M100 HydrophobicContact CB-CB 4.27Å; L49-M100 HydrophobicContact CD2-CB 4.21Å; L49-M100 HydrophobicContact CD2-CG 4.24Å; L49-M100 HydrophobicContact CG-CB 4.13Å; L49-M100 HydrophobicContact CG-CG 4.02Å; L49-M100 WeakPolarHBondContact O-CB 3.42Å; L49-M100 PolarHBondContact O-N 3.34Å; E51-M100 HydrophobicContact CB-CG 4.25Å; E51-M100 HydrophobicContact CB-SD 3.7Å
101R86.2Confident86.3Confident117 Ų11773.8 Ų73.844%0.44237%0.365SS..  trans-71.5129176.2-75.3-179.361.9168.93.9111.1S99 D103 V104 P228S99-R101 VanDerWaalsContact C-N 3.28Å; S99-R101 WeakPolarHBondContact OG-CB 3.44Å; S99-R101 PolarHBondContact OG-N 3.41Å; R101-D103 VanDerWaalsContact C-N 3.28Å; R101-D103 WeakPolarHBondContact CB-OD1 3.02Å; R101-D103 IonicContact CZ-OD1 3.51Å; R101-D103 IonicContact CZ-OD2 2.9Å; R101-D103 IonicContact NE-OD1 3.7Å; R101-D103 PolarHBondContact NE-OD1 3.42Å; R101-D103 IonicContact NE-OD2 3.62Å; R101-D103 IonicContact NH2-OD1 3.37Å; R101-D103 PolarHBondContact NH2-OD1 3.29Å; R101-D103 IonicContact NH2-OD2 3.41Å; R101-D103 PolarHBondContact NH2-OD2 3.32Å; R101-D103 PolarHBondContact O-N 2.88Å; R101-V104 HydrophobicContact CB-CB 4.21Å; R101-V104 HydrophobicContact CB-CG2 3.76Å; R101-V104 PolarHBondContact O-N 3.39Å; R101-P228 HydrophobicContact CG-CB 4.06Å; R101-P228 HydrophobicContact CG-CG 3.71Å
102R80.7Confident86.2Confident236 Ų23677 Ų7789%0.89138%0.383SS*.THydrogen-bonded Turntrans-66.4-27.1-179.8-62.9-178.8-176170.51.8113.9V104R102-V104 VanDerWaalsContact C-N 3.34Å
103D80.7Confident86.2Confident110 Ų11077.9 Ų77.959%0.58839%0.387SS*.THydrogen-bonded Turntrans-85-8.7-179.467.3-48.8000113.5R101 I105R101-D103 VanDerWaalsContact C-N 3.28Å; R101-D103 WeakPolarHBondContact CB-OD1 3.02Å; R101-D103 IonicContact CZ-OD1 3.51Å; R101-D103 IonicContact CZ-OD2 2.9Å; R101-D103 IonicContact NE-OD1 3.7Å; R101-D103 PolarHBondContact NE-OD1 3.42Å; R101-D103 IonicContact NE-OD2 3.62Å; R101-D103 IonicContact NH2-OD1 3.37Å; R101-D103 PolarHBondContact NH2-OD1 3.29Å; R101-D103 IonicContact NH2-OD2 3.41Å; R101-D103 PolarHBondContact NH2-OD2 3.32Å; R101-D103 PolarHBondContact O-N 2.88Å; D103-I105 PolarHBondContact O-N 3.18Å
104V76.8Confident86.2Confident64 Ų6479 Ų7939%0.38839%0.394SS..  trans-93.799.6175.91800000108.5R101 R102 G106R101-V104 HydrophobicContact CB-CB 4.21Å; R101-V104 HydrophobicContact CB-CG2 3.76Å; R101-V104 PolarHBondContact O-N 3.39Å; R102-V104 VanDerWaalsContact C-N 3.34Å; V104-G106 PolarHBondContact O-N 3.4Å; V104-G106 VanDerWaalsContact O-N 3.08Å
105I68.3Low86.3Confident178 Ų17879 Ų7991%0.91339%0.394SS*.  trans-72.6100.3169.3-56.5175.3000107.2D103D103-I105 PolarHBondContact O-N 3.18Å
106G66.1Low86.4Confident31 Ų3179.2 Ų79.232%0.3239%0.389SS..  trans-154.6145.1-178.700000112.6Q98 V104Q98-G106 PolarHBondContact NE2-O 3.24Å; V104-G106 PolarHBondContact O-N 3.4Å; V104-G106 VanDerWaalsContact O-N 3.08Å
107C81.3Confident86.4Confident92 Ų9277.9 Ų77.962%0.62239%0.394SS*.  trans-86.4172.3167.456.10000110.9Q109C107-Q109 WeakPolarHBondContact O-CG 3.16Å; C107-Q109 PolarHBondContact O-N 2.94Å
108T86.9Confident86.2Confident53 Ų5380.4 Ų80.433%0.32540%0.403SS..  trans-49.1130.2166.4-60.50000111.5S53 R96S53-T108 WeakPolarHBondContact OG-CG2 2.76Å; R96-T108 HydrophobicContact CB-CG2 3.88Å
109Q89.7Confident86.1Confident115 Ų11582.2 Ų82.254%0.53742%0.415SS..EExtended strand (participates in β ladder)trans-130.2162179-69.8171.126.400110.9R96 Y97 C107R96-Q109 CarbonylContact C-O 3.54Å; R96-Q109 VanDerWaalsContact CA-O 3.22Å; R96-Q109 WeakPolarHBondContact CA-O 3.28Å; R96-Q109 WeakPolarHBondContact CB-O 3.31Å; Y97-Q109 PolarHBondContact N-O 2.83Å; Y97-Q109 PolarHBondContact O-N 2.82Å; C107-Q109 WeakPolarHBondContact O-CG 3.16Å; C107-Q109 PolarHBondContact O-N 2.94Å
110E88.5Confident86.3Confident155 Ų15583 Ų8372%0.72442%0.417SS*.EExtended strand (participates in β ladder)trans-59.7147.6164-65-176.517000109.9Y97 D112Y97-E110 WeakPolarHBondContact CE1-O 3.24Å; E110-D112 PolarHBondContact O-N 3Å
111M88.8Confident86.6Confident9 Ų980.1 Ų80.14%0.04440%0.402CS..  trans-65.3124175.9-63.9-174.8-173.700110.5I36 V52 A94 P95 Y97 L199 C200 I202I36-M111 HydrophobicContact CD1-CE 3.31Å; I36-M111 HydrophobicContact CD1-SD 4.15Å; V52-M111 HydrophobicContact CG2-CE 4.33Å; A94-M111 HydrophobicContact CB-CE 3.65Å; A94-M111 WeakPolarHBondContact O-CE 3.21Å; A94-M111 VanDerWaalsContact O-SD 3.38Å; P95-M111 PolarHBondContact O-N 3.21Å; Y97-M111 HydrophobicContact CD1-CB 4.47Å; Y97-M111 HydrophobicContact CD1-CG 3.87Å; Y97-M111 HydrophobicContact CD2-CE 4.39Å; Y97-M111 HydrophobicContact CD2-CG 3.93Å; Y97-M111 VanDerWaalsContact CE1-CA 3.47Å; Y97-M111 HydrophobicContact CE1-CB 4.2Å; Y97-M111 HydrophobicContact CE1-CG 4.06Å; Y97-M111 HydrophobicContact CE2-CB 4.45Å; Y97-M111 HydrophobicContact CE2-CG 4.09Å; Y97-M111 HydrophobicContact CG-CE 4.35Å; Y97-M111 HydrophobicContact CG-CG 3.82Å; M111-L199 CarbonylContact C-O 3.49Å; M111-L199 VanDerWaalsContact C-O 3.27Å; M111-C200 WeakPolarHBondContact CB-O 3.49Å; M111-I202 HydrophobicContact SD-CG1 4.16Å
112D87.8Confident87.1Confident89 Ų8978.1 Ų78.148%0.47640%0.398SS..  trans-141.567.6174.7-174.112000109.5Y97 E110 K198Y97-D112 PolarHBondContact OH-N 2.83Å; E110-D112 PolarHBondContact O-N 3Å; D112-K198 WeakPolarHBondContact OD1-CD 3.07Å; D112-K198 WeakPolarHBondContact OD1-CE 3.44Å; D112-K198 IonicContact OD1-NZ 3.11Å; D112-K198 PolarHBondContact OD1-NZ 2.72Å; D112-K198 IonicContact OD2-NZ 3.61Å; D112-K198 PolarHBondContact OD2-NZ 3.44Å
113F91.8Very high87.9Confident20 Ų2068.6 Ų68.69%0.08836%0.363CS..EExtended strand (participates in β ladder)trans-107.5118179.6-159.4-82.6000111F38 A48 F50 L115 R118 I121 L199F38-F113 HydrophobicContact CB-CE1 4.39Å; F38-F113 HydrophobicContact CB-CZ 3.97Å; F38-F113 AromaticContact CD1-CD1 3.85Å; F38-F113 HydrophobicContact CD1-CD1 3.85Å; F38-F113 AromaticContact CD1-CE1 3.59Å; F38-F113 HydrophobicContact CD1-CE1 3.59Å; F38-F113 HydrophobicContact CD1-CE2 4.45Å; F38-F113 HydrophobicContact CD1-CG 4.38Å; F38-F113 AromaticContact CD1-CZ 3.91Å; F38-F113 HydrophobicContact CD1-CZ 3.91Å; F38-F113 HydrophobicContact CD2-CD2 4.08Å; F38-F113 HydrophobicContact CD2-CE1 4.39Å; F38-F113 AromaticContact CD2-CE2 3.79Å; F38-F113 HydrophobicContact CD2-CE2 3.79Å; F38-F113 HydrophobicContact CD2-CG 4.49Å; F38-F113 AromaticContact CD2-CZ 3.94Å; F38-F113 HydrophobicContact CD2-CZ 3.94Å; F38-F113 HydrophobicContact CE1-CB 4.43Å; F38-F113 AromaticContact CE1-CD1 3.66Å; F38-F113 HydrophobicContact CE1-CD1 3.66Å; F38-F113 HydrophobicContact CE1-CD2 4.46Å; F38-F113 AromaticContact CE1-CE1 3.92Å; F38-F113 HydrophobicContact CE1-CE1 3.92Å; F38-F113 AromaticContact CE1-CG 3.94Å; F38-F113 HydrophobicContact CE1-CG 3.94Å; F38-F113 HydrophobicContact CE1-CZ 4.42Å; F38-F113 HydrophobicContact CE2-CD1 4.46Å; F38-F113 AromaticContact CE2-CD2 3.83Å; F38-F113 HydrophobicContact CE2-CD2 3.83Å; F38-F113 HydrophobicContact CE2-CE2 4.04Å; F38-F113 HydrophobicContact CE2-CG 4.04Å; F38-F113 HydrophobicContact CE2-CZ 4.43Å; F38-F113 HydrophobicContact CG-CD1 4.36Å; F38-F113 HydrophobicContact CG-CD2 4.49Å; F38-F113 AromaticContact CG-CE1 3.86Å; F38-F113 HydrophobicContact CG-CE1 3.86Å; F38-F113 HydrophobicContact CG-CE2 4.01Å; F38-F113 AromaticContact CG-CZ 3.65Å; F38-F113 HydrophobicContact CG-CZ 3.65Å; F38-F113 HydrophobicContact CZ-CB 4.03Å; F38-F113 AromaticContact CZ-CD1 3.98Å; F38-F113 HydrophobicContact CZ-CD1 3.98Å; F38-F113 HydrophobicContact CZ-CD2 4.04Å; F38-F113 HydrophobicContact CZ-CE1 4.43Å; F38-F113 HydrophobicContact CZ-CE2 4.48Å; F38-F113 AromaticContact CZ-CG 3.75Å; F38-F113 HydrophobicContact CZ-CG 3.75Å; A48-F113 HydrophobicContact CB-CE2 4.39Å; F50-F113 HydrophobicContact CE2-CD2 4.17Å; F50-F113 HydrophobicContact CE2-CE2 4.02Å; F50-F113 HydrophobicContact CZ-CD2 4.15Å; F50-F113 HydrophobicContact CZ-CE2 4.17Å; F113-L115 HydrophobicContact CD1-CD2 3.9Å; F113-L115 HydrophobicContact CE1-CD2 4.35Å; F113-L115 PolarHBondContact O-N 2.87Å; F113-R118 VanDerWaalsContact CE1-NH1 3.34Å; F113-I121 HydrophobicContact CE1-CD1 3.75Å; F113-L199 HydrophobicContact CB-CB 4.29Å; F113-L199 PolarHBondContact N-O 3.22Å; F113-L199 WeakPolarHBondContact O-CB 3.24Å; F113-L199 PolarHBondContact O-N 3Å
114I93.1Very high88.7Confident63 Ų6363.4 Ų63.432%0.32334%0.336SS..EExtended strand (participates in β ladder)trans-68.1124.1175.9-59.7173.1000108.8W116 R118 I196 K198I114-W116 WeakPolarHBondContact CG2-O 2.95Å; I114-R118 HydrophobicContact CG2-CG 4.27Å; I114-R118 WeakPolarHBondContact O-CD 3.28Å; I114-I196 HydrophobicContact CD1-CD1 4.46Å; I114-K198 HydrophobicContact CG1-CG 3.96Å
115L94.6Very high89.7Confident0 Ų060.6 Ų60.60%032%0.319CS..EExtended strand (participates in β ladder)trans-105.8-23.9177.9-68.4-179.1000113.7F38 F113 I121 I124 F157 L180 I182 F197 L199F38-L115 HydrophobicContact CD1-CD2 4.3Å; F38-L115 HydrophobicContact CE1-CD2 3.95Å; F113-L115 HydrophobicContact CD1-CD2 3.9Å; F113-L115 HydrophobicContact CE1-CD2 4.35Å; F113-L115 PolarHBondContact O-N 2.87Å; L115-I121 HydrophobicContact CD2-CD1 3.98Å; L115-I124 HydrophobicContact CD1-CD1 4.23Å; L115-I124 HydrophobicContact CD2-CD1 3.87Å; L115-F157 HydrophobicContact CB-CE2 3.75Å; L115-F157 HydrophobicContact CB-CZ 4.01Å; L115-F157 HydrophobicContact CD1-CE2 4.48Å; L115-F157 HydrophobicContact CD1-CZ 3.94Å; L115-L180 HydrophobicContact CD1-CD1 3.95Å; L115-I182 HydrophobicContact CD1-CG2 4.46Å; L115-F197 PolarHBondContact N-O 2.79Å; L115-L199 HydrophobicContact CD1-CB 3.86Å; L115-L199 HydrophobicContact CD1-CD1 4.24Å; L115-L199 HydrophobicContact CD1-CG 4.46Å; L115-L199 HydrophobicContact CG-CB 4.07Å
116W93Very high91.1Very high47 Ų4752.3 Ų52.318%0.17828%0.276CS..EExtended strand (participates in β ladder)trans-142.3139.8-179.8-167.785.8000110I114 R118 F157 L161 T195 I196 F197I114-W116 WeakPolarHBondContact CG2-O 2.95Å; W116-R118 VanDerWaalsContact C-N 3.32Å; W116-R118 VanDerWaalsContact CA-N 3.27Å; W116-F157 HydrophobicContact CB-CD2 3.66Å; W116-F157 HydrophobicContact CB-CE2 3.99Å; W116-F157 HydrophobicContact CG-CD2 4.05Å; W116-L161 HydrophobicContact CH2-CD1 3.92Å; W116-L161 HydrophobicContact CH2-CD2 4.46Å; W116-L161 HydrophobicContact CZ2-CD1 3.97Å; W116-L161 HydrophobicContact CZ3-CD1 4.47Å; W116-L161 HydrophobicContact CZ3-CD2 4.28Å; W116-T195 WeakPolarHBondContact CZ3-O 3.43Å; W116-I196 WeakPolarHBondContact O-CA 3.4Å; W116-F197 HydrophobicContact CB-CB 4.07Å; W116-F197 HydrophobicContact CB-CD2 3.84Å; W116-F197 HydrophobicContact CB-CG 4.46Å; W116-F197 HydrophobicContact CD2-CD2 4.18Å; W116-F197 HydrophobicContact CE3-CD2 4.06Å; W116-F197 HydrophobicContact CE3-CE2 4.36Å; W116-F197 HydrophobicContact CG-CD2 4.11Å; W116-F197 PolarHBondContact N-O 3.42Å; W116-F197 PolarHBondContact O-N 3.22Å
117P90.4Very high92.6Very high74 Ų7451.9 Ų51.948%0.48127%0.267SS..SBendcis-85.529.39.235.9-38.2000115.3N119P117-N119 PolarHBondContact O-N 2.78Å
118R89.9Confident93.4Very high71 Ų7147.9 Ų47.927%0.26824%0.239SC..  trans-59.9123.4175.2-72.6-171.580.1157.53.2111.6F40 F113 I114 W116 D120 I121 H150F40-R118 VanDerWaalsContact CE1-NH2 3.25Å; F113-R118 VanDerWaalsContact CE1-NH1 3.34Å; I114-R118 HydrophobicContact CG2-CG 4.27Å; I114-R118 WeakPolarHBondContact O-CD 3.28Å; W116-R118 VanDerWaalsContact C-N 3.32Å; W116-R118 VanDerWaalsContact CA-N 3.27Å; R118-D120 WeakPolarHBondContact CB-OD1 3.47Å; R118-D120 IonicContact CZ-OD1 2.72Å; R118-D120 IonicContact CZ-OD2 3.83Å; R118-D120 IonicContact NE-OD1 3.7Å; R118-D120 PolarHBondContact NE-OD1 3.31Å; R118-D120 IonicContact NE-OD2 2.76Å; R118-D120 IonicContact NH2-OD1 3.84Å; R118-D120 IonicContact NH2-OD2 3.57Å; R118-D120 PolarHBondContact NH2-OD2 2.91Å; R118-I121 HydrophobicContact CB-CD1 4.31Å; R118-H150 PolarHBondContact O-NE2 3.48Å
119N91.8Very high93.9Very high112 Ų11245.4 Ų45.460%0.59922%0.224SC*.  trans-112.73.5175.666.9-3000112.5K41 P117K41-N119 WeakPolarHBondContact CD-O 3.45Å; K41-N119 WeakPolarHBondContact CE-O 3.35Å; K41-N119 PolarHBondContact NZ-O 3.14Å; P117-N119 PolarHBondContact O-N 2.78Å
120D94.9Very high94.1Very high46 Ų4640 Ų4025%0.24620%0.198CC..  trans-85.7-16.6-177.164-42.4000113.2F40 K41 R118F40-D120 CarbonylContact C-O 3.47Å; F40-D120 VanDerWaalsContact CA-O 3.25Å; F40-D120 WeakPolarHBondContact CA-O 3.42Å; F40-D120 WeakPolarHBondContact CB-O 3.32Å; K41-D120 PolarHBondContact N-O 3.34Å; R118-D120 WeakPolarHBondContact CB-OD1 3.47Å; R118-D120 IonicContact CZ-OD1 2.72Å; R118-D120 IonicContact CZ-OD2 3.83Å; R118-D120 IonicContact NE-OD1 3.7Å; R118-D120 PolarHBondContact NE-OD1 3.31Å; R118-D120 IonicContact NE-OD2 2.76Å; R118-D120 IonicContact NH2-OD1 3.84Å; R118-D120 IonicContact NH2-OD2 3.57Å; R118-D120 PolarHBondContact NH2-OD2 2.91Å
121I96.4Very high94.2Very high0 Ų035.8 Ų35.80%018%0.176CC..EExtended strand (participates in β ladder)trans-80.5131.3176.4-55.2167.2000109.1V39 F40 K41 F113 L115 R118 H150 Y153V39-I121 CarbonylContact O-C 3.41Å; F40-I121 HydrophobicContact CD1-CG1 4.2Å; F40-I121 HydrophobicContact CE1-CG1 4.11Å; K41-I121 WeakPolarHBondContact CE-O 3.38Å; F113-I121 HydrophobicContact CE1-CD1 3.75Å; L115-I121 HydrophobicContact CD2-CD1 3.98Å; R118-I121 HydrophobicContact CB-CD1 4.31Å; I121-H150 WeakPolarHBondContact O-CB 3.33Å; I121-Y153 WeakPolarHBondContact CG2-OH 3.48Å
122E96.9Very high94Very high76 Ų7639.5 Ų39.536%0.35519%0.189SC..EExtended strand (participates in β ladder)trans-84.4-51.2171.3-174.8-172151.500110.9V39 K41 H150V39-E122 PolarHBondContact O-N 3.15Å; K41-E122 HydrophobicContact CG-CB 3.83Å; K41-E122 HydrophobicContact CG-CG 4.48Å; E122-H150 WeakPolarHBondContact O-CB 3.46Å; E122-H150 PolarHBondContact O-N 2.95Å
123K97.5Very high93.9Very high36 Ų3639.5 Ų39.516%0.15719%0.185CC..EExtended strand (participates in β ladder)trans-159.7158-178.960.2178.4179.2173.10111.9V39 V125 E147 F148V39-K123 HydrophobicContact CB-CG 4.04Å; V39-K123 HydrophobicContact CG2-CG 4.23Å; V39-K123 PolarHBondContact N-O 3.01Å; V39-K123 PolarHBondContact O-N 3.48Å; K123-V125 HydrophobicContact CD-CG2 3.98Å; K123-V125 HydrophobicContact CG-CG2 4.05Å; K123-E147 IonicContact NZ-OE1 3.42Å; K123-E147 PolarHBondContact NZ-OE1 2.78Å; K123-E147 IonicContact NZ-OE2 2.71Å; K123-F148 CarbonylContact C-O 3.58Å; K123-F148 WeakPolarHBondContact CA-O 3.32Å
124I98Very high93.5Very high1 Ų148 Ų481%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-98.7130.7167.4-55169.4000107.1I36 A37 F38 L115 E147 F148 Y153 L180 I202I36-I124 HydrophobicContact CG2-CG2 4.05Å; A37-I124 WeakPolarHBondContact O-CA 3.4Å; F38-I124 HydrophobicContact CD1-CD1 4.37Å; F38-I124 HydrophobicContact CD1-CG1 3.85Å; F38-I124 HydrophobicContact CE1-CD1 4.07Å; F38-I124 HydrophobicContact CE1-CG1 4Å; F38-I124 HydrophobicContact CE1-CG2 4.32Å; L115-I124 HydrophobicContact CD1-CD1 4.23Å; L115-I124 HydrophobicContact CD2-CD1 3.87Å; I124-E147 CarbonylContact O-C 3.53Å; I124-E147 WeakPolarHBondContact O-CA 3.39Å; I124-F148 HydrophobicContact CB-CB 4.41Å; I124-F148 PolarHBondContact N-O 3.19Å; I124-F148 PolarHBondContact O-N 3.38Å; I124-Y153 HydrophobicContact CD1-CD1 4.42Å; I124-Y153 HydrophobicContact CD1-CE1 3.97Å; I124-Y153 HydrophobicContact CG1-CE1 4.21Å; I124-L180 HydrophobicContact CD1-CD1 3.79Å; I124-L180 HydrophobicContact CD1-CD2 4.33Å; I124-I202 HydrophobicContact CG2-CD1 4.35Å
125V97.9Very high93Very high5 Ų546.2 Ų46.23%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-120.3128176.2-175.80000108.5A37 V39 K123 L127 F146 E147 Y226A37-V125 HydrophobicContact CB-CB 4.38Å; A37-V125 PolarHBondContact N-O 3.14Å; A37-V125 PolarHBondContact O-N 2.84Å; V39-V125 HydrophobicContact CG2-CG2 3.99Å; K123-V125 HydrophobicContact CD-CG2 3.98Å; K123-V125 HydrophobicContact CG-CG2 4.05Å; V125-L127 HydrophobicContact CG1-CD2 4.14Å; V125-L127 HydrophobicContact CG1-CG 4.42Å; V125-F146 WeakPolarHBondContact CA-O 3.4Å; V125-E147 HydrophobicContact CG1-CG 4.36Å; V125-E147 HydrophobicContact CG2-CG 4.17Å; V125-Y226 HydrophobicContact CB-CE1 4.42Å; V125-Y226 HydrophobicContact CG2-CE1 4.23Å
126C98.2Very high92.8Very high4 Ų454.1 Ų54.13%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-107.5129172-55.30000109.3M34 Y35 F146 L204M34-C126 HydrophobicContact SD-CB 4.35Å; Y35-C126 CarbonylContact O-C 3.51Å; Y35-C126 WeakPolarHBondContact O-CA 3.44Å; C126-F146 HydrophobicContact CB-CB 3.79Å; C126-F146 PolarHBondContact N-O 2.71Å; C126-F146 WeakPolarHBondContact O-CB 3.5Å; C126-L204 HydrophobicContact CB-CD1 3.99Å; C126-L204 HydrophobicContact CB-CD2 3.85Å; C126-L204 HydrophobicContact CB-CG 4.48Å
127L97.8Very high92.6Very high22 Ų2255.9 Ų55.912%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-109.9111.5179.7-59.7167000107.8M34 Y35 V125 F129 L223 Y226M34-L127 CarbonylContact C-O 3.54Å; M34-L127 VanDerWaalsContact CA-O 3.28Å; M34-L127 WeakPolarHBondContact CA-O 3.41Å; Y35-L127 PolarHBondContact N-O 3.18Å; Y35-L127 PolarHBondContact O-N 3.46Å; V125-L127 HydrophobicContact CG1-CD2 4.14Å; V125-L127 HydrophobicContact CG1-CG 4.42Å; L127-F129 HydrophobicContact CB-CE2 3.71Å; L127-F129 HydrophobicContact CB-CZ 4.29Å; L127-L223 HydrophobicContact CD1-CD2 3.53Å; L127-Y226 HydrophobicContact CD1-CD2 3.78Å; L127-Y226 HydrophobicContact CD1-CE2 3.84Å; L127-Y226 HydrophobicContact CD2-CE2 4.17Å; L127-Y226 HydrophobicContact CG-CE2 4.47Å
128L97.8Very high92.8Very high7 Ų757 Ų574%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-103.5130.9-178.3-178.467.9000110.1F32 M34 L92 V142 F146 L204 L206F32-L128 HydrophobicContact CD1-CD1 4.16Å; M34-L128 HydrophobicContact CB-CD1 4.38Å; L92-L128 HydrophobicContact CD1-CD1 3.89Å; L92-L128 HydrophobicContact CD1-CD2 3.32Å; L92-L128 HydrophobicContact CD1-CG 4.25Å; L128-V142 HydrophobicContact CB-CB 4.38Å; L128-V142 HydrophobicContact CB-CG2 4.48Å; L128-V142 HydrophobicContact CD2-CB 4.11Å; L128-V142 HydrophobicContact CD2-CG1 4.27Å; L128-V142 HydrophobicContact CD2-CG2 3.89Å; L128-V142 HydrophobicContact CG-CB 4.21Å; L128-V142 HydrophobicContact CG-CG2 3.84Å; L128-V142 PolarHBondContact O-N 3.08Å; L128-F146 HydrophobicContact CB-CD2 4.33Å; L128-F146 HydrophobicContact CB-CE2 3.9Å; L128-F146 HydrophobicContact CD2-CE2 3.99Å; L128-F146 HydrophobicContact CD2-CZ 4.24Å; L128-L204 HydrophobicContact CB-CD1 4.31Å; L128-L206 HydrophobicContact CD2-CD2 3.99Å
129F96.7Very high93.1Very high2 Ų255.7 Ų55.71%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-124.1148.2174.4-54.4-101.6000109F32 K33 Y35 L127 F139 R140 P141 I219 H222F32-F129 WeakPolarHBondContact CA-O 3.32Å; K33-F129 HydrophobicContact CB-CB 4.3Å; K33-F129 PolarHBondContact N-O 3.25Å; K33-F129 PolarHBondContact O-N 3.09Å; Y35-F129 HydrophobicContact CD2-CD2 4.02Å; Y35-F129 AromaticContact CD2-CE2 3.68Å; Y35-F129 HydrophobicContact CD2-CE2 3.68Å; Y35-F129 HydrophobicContact CE2-CD2 4.14Å; Y35-F129 AromaticContact CE2-CE2 3.99Å; Y35-F129 HydrophobicContact CE2-CE2 3.99Å; L127-F129 HydrophobicContact CB-CE2 3.71Å; L127-F129 HydrophobicContact CB-CZ 4.29Å; F129-F139 HydrophobicContact CB-CB 4.03Å; F129-F139 HydrophobicContact CB-CD1 4.38Å; F129-R140 CarbonylContact C-O 3.27Å; F129-R140 WeakPolarHBondContact CA-O 3.37Å; F129-R140 WeakPolarHBondContact CB-O 3.47Å; F129-P141 VanDerWaalsContact CD1-CA 3.47Å; F129-P141 HydrophobicContact CD1-CB 3.89Å; F129-P141 HydrophobicContact CE1-CB 3.78Å; F129-I219 HydrophobicContact CD1-CG1 3.62Å; F129-I219 HydrophobicContact CD2-CG1 4.4Å; F129-I219 HydrophobicContact CE1-CB 4.24Å; F129-I219 HydrophobicContact CE1-CG1 3.73Å; F129-I219 HydrophobicContact CE2-CG1 4.48Å; F129-I219 HydrophobicContact CG-CG1 4Å; F129-I219 HydrophobicContact CZ-CB 4.44Å; F129-I219 HydrophobicContact CZ-CG1 4.17Å; F129-H222 HydrophobicContact CE1-CB 4.1Å; F129-H222 HydrophobicContact CZ-CB 3.78Å
130S94.6Very high93.2Very high0 Ų054.9 Ų54.90%026%0.263CS..EExtended strand (participates in β ladder)trans-141.3161.1174.668.50000111.4D31 R140 W214D31-S130 VanDerWaalsContact O-CA 3.23Å; D31-S130 WeakPolarHBondContact O-CA 3.39Å; S130-R140 PolarHBondContact N-O 2.95Å; S130-R140 PolarHBondContact O-N 3.26Å; S130-W214 PolarHBondContact O-NE1 3.47Å; S130-W214 PolarHBondContact OG-NE1 3.05Å
131R90.5Very high93.3Very high68 Ų6852.9 Ų52.926%0.25725%0.253SS..EExtended strand (participates in β ladder)trans-147.1162.6166.763.5174.6-171.2176.43.8108.7F30 D31 S135 E137 F139F30-R131 CarbonylContact C-O 3.58Å; F30-R131 WeakPolarHBondContact CA-O 3.21Å; F30-R131 WeakPolarHBondContact CB-O 3.47Å; F30-R131 WeakPolarHBondContact CD1-O 3.11Å; D31-R131 HydrophobicContact CB-CG 3.92Å; D31-R131 PolarHBondContact N-O 3.04Å; D31-R131 PolarHBondContact O-N 3.14Å; D31-R131 VanDerWaalsContact O-N 3.08Å; D31-R131 IonicContact OD2-CZ 2.78Å; D31-R131 IonicContact OD2-NE 3.79Å; D31-R131 PolarHBondContact OD2-NE 3.4Å; D31-R131 IonicContact OD2-NH2 3.5Å; D31-R131 PolarHBondContact OD2-NH2 2.94Å; D31-R131 VanDerWaalsContact OD2-NH2 3.11Å; R131-S135 PolarHBondContact NH1-O 3.14Å; R131-E137 VanDerWaalsContact CD-O 3.28Å; R131-E137 WeakPolarHBondContact CD-O 3.25Å; R131-F139 HydrophobicContact CB-CD1 4.43Å; R131-F139 HydrophobicContact CG-CD1 3.97Å; R131-F139 HydrophobicContact CG-CE1 3.83Å; R131-F139 HydrophobicContact CG-CE2 4.46Å; R131-F139 HydrophobicContact CG-CG 4.36Å; R131-F139 HydrophobicContact CG-CZ 4.09Å
132W84.7Confident93.3Very high86 Ų8653.3 Ų53.333%0.32626%0.255SS..EExtended strand (participates in β ladder)trans-61.4139.8169.1-64.6109.7000110.2L15 Q29 F30 S135 T212 W214L15-W132 HydrophobicContact CD2-CH2 4.01Å; L15-W132 HydrophobicContact CD2-CZ3 4.44Å; Q29-W132 HydrophobicContact CB-CE3 4.03Å; Q29-W132 HydrophobicContact CB-CZ3 3.85Å; Q29-W132 WeakPolarHBondContact O-CA 3.48Å; F30-W132 HydrophobicContact CD1-CD2 4.48Å; F30-W132 HydrophobicContact CD1-CE3 4.34Å; F30-W132 AromaticContact CE1-CD2 3.83Å; F30-W132 HydrophobicContact CE1-CD2 3.83Å; F30-W132 AromaticContact CE1-CE3 3.78Å; F30-W132 HydrophobicContact CE1-CE3 3.78Å; F30-W132 HydrophobicContact CE1-CG 4.49Å; F30-W132 HydrophobicContact CE1-CH2 4.06Å; F30-W132 HydrophobicContact CE1-CZ2 4.11Å; F30-W132 AromaticContact CE1-CZ3 3.91Å; F30-W132 HydrophobicContact CE1-CZ3 3.91Å; F30-W132 HydrophobicContact CE2-CE3 4.17Å; F30-W132 HydrophobicContact CE2-CH2 4.08Å; F30-W132 AromaticContact CE2-CZ3 3.69Å; F30-W132 HydrophobicContact CE2-CZ3 3.69Å; F30-W132 HydrophobicContact CZ-CD2 4.11Å; F30-W132 AromaticContact CZ-CE3 3.69Å; F30-W132 HydrophobicContact CZ-CE3 3.69Å; F30-W132 AromaticContact CZ-CH2 3.38Å; F30-W132 HydrophobicContact CZ-CH2 3.38Å; F30-W132 AromaticContact CZ-CZ2 3.82Å; F30-W132 HydrophobicContact CZ-CZ2 3.82Å; F30-W132 AromaticContact CZ-CZ3 3.32Å; F30-W132 HydrophobicContact CZ-CZ3 3.32Å; W132-S135 VanDerWaalsContact O-CB 3.24Å; W132-S135 WeakPolarHBondContact O-CB 3.17Å; W132-S135 PolarHBondContact O-N 3.34Å; W132-T212 HydrophobicContact CH2-CG2 4.39Å; W132-W214 AromaticContact CD1-CH2 3.89Å; W132-W214 AromaticContact CE2-CH2 3.91Å; W132-W214 HydrophobicContact CZ2-CH2 4.36Å; W132-W214 AromaticContact NE1-CH2 3.4Å
133K85.6Confident93.2Very high90 Ų9055.7 Ų55.739%0.39127%0.266SS..THydrogen-bonded Turntrans-58.6150.5167.6-70.6-166.4-179.1164.50109.9D28 Q29 F30 D31 S135D28-K133 WeakPolarHBondContact O-CD 3.47Å; D28-K133 WeakPolarHBondContact O-CE 3.48Å; D28-K133 PolarHBondContact O-NZ 3.12Å; Q29-K133 PolarHBondContact O-N 2.82Å; F30-K133 WeakPolarHBondContact O-CE 3.21Å; D31-K133 WeakPolarHBondContact OD1-CG 3.18Å; K133-S135 PolarHBondContact O-N 2.93Å
134E82.7Confident93Very high197 Ų19755.5 Ų55.592%0.92127%0.271SS*.THydrogen-bonded Turntrans61.48.7-179.4-51.2176.7176.200114.2
135S84.4Confident92.8Very high26 Ų2662.4 Ų62.418%0.18230%0.301CS..  trans-92.6134.6173.7-172.20000110.7R131 W132 K133 E137R131-S135 PolarHBondContact NH1-O 3.14Å; W132-S135 VanDerWaalsContact O-CB 3.24Å; W132-S135 WeakPolarHBondContact O-CB 3.17Å; W132-S135 PolarHBondContact O-N 3.34Å; K133-S135 PolarHBondContact O-N 2.93Å; S135-E137 PolarHBondContact O-N 2.8Å; S135-E137 WeakPolarHBondContact OG-CB 3.28Å; S135-E137 WeakPolarHBondContact OG-CG 3.31Å; S135-E137 PolarHBondContact OG-N 2.95Å
136D89.4Confident92.8Very high166 Ų16662.5 Ų62.589%0.88830%0.301SS*.  trans-77.1-1.6168.9-63.9-38.8000112.6
137E89.7Confident92.8Very high85 Ų8563.7 Ų63.740%0.39731%0.307SS..SBendtrans-63.9146.5176.3-69.6-170.8-171.100111.5R131 S135 R140R131-E137 VanDerWaalsContact CD-O 3.28Å; R131-E137 WeakPolarHBondContact CD-O 3.25Å; S135-E137 PolarHBondContact O-N 2.8Å; S135-E137 WeakPolarHBondContact OG-CB 3.28Å; S135-E137 WeakPolarHBondContact OG-CG 3.31Å; S135-E137 PolarHBondContact OG-N 2.95Å; E137-R140 IonicContact OE2-CZ 3.5Å; E137-R140 IonicContact OE2-NH1 3.72Å; E137-R140 IonicContact OE2-NH2 2.9Å; E137-R140 PolarHBondContact OE2-NH2 2.83Å
138P93.3Very high92.8Very high96 Ų9662.7 Ų62.762%0.62330%0.301SS*.PPolyproline II helixtrans-66.1151.8175.328.8-35.1000110.8R140P138-R140 PolarHBondContact O-N 2.86Å
139F95.6Very high92.8Very high44 Ų4466 Ų6619%0.19332%0.317CS..PPolyproline II helixtrans-56.6130.9169.5-78.4-86.1000110.8D31 K33 F129 R131 I219D31-F139 HydrophobicContact CB-CE1 3.84Å; D31-F139 HydrophobicContact CB-CZ 3.87Å; K33-F139 HydrophobicContact CB-CD1 3.68Å; K33-F139 HydrophobicContact CB-CE1 3.76Å; K33-F139 HydrophobicContact CB-CG 4.12Å; K33-F139 HydrophobicContact CB-CZ 4.25Å; K33-F139 HydrophobicContact CD-CD2 4.41Å; F129-F139 HydrophobicContact CB-CB 4.03Å; F129-F139 HydrophobicContact CB-CD1 4.38Å; R131-F139 HydrophobicContact CB-CD1 4.43Å; R131-F139 HydrophobicContact CG-CD1 3.97Å; R131-F139 HydrophobicContact CG-CE1 3.83Å; R131-F139 HydrophobicContact CG-CE2 4.46Å; R131-F139 HydrophobicContact CG-CG 4.36Å; R131-F139 HydrophobicContact CG-CZ 4.09Å; F139-I219 HydrophobicContact CB-CD1 3.74Å; F139-I219 HydrophobicContact CB-CG1 4.34Å; F139-I219 HydrophobicContact CG-CD1 4.47Å
140R94.9Very high92.8Very high95 Ų9566.4 Ų66.436%0.35832%0.318SS..EExtended strand (participates in β ladder)trans-112.8144.9178.9-65.2-173.7-172.8160.510111.1F129 S130 E137 P138 V142 W214F129-R140 CarbonylContact C-O 3.27Å; F129-R140 WeakPolarHBondContact CA-O 3.37Å; F129-R140 WeakPolarHBondContact CB-O 3.47Å; S130-R140 PolarHBondContact N-O 2.95Å; S130-R140 PolarHBondContact O-N 3.26Å; E137-R140 IonicContact OE2-CZ 3.5Å; E137-R140 IonicContact OE2-NH1 3.72Å; E137-R140 IonicContact OE2-NH2 2.9Å; E137-R140 PolarHBondContact OE2-NH2 2.83Å; P138-R140 PolarHBondContact O-N 2.86Å; R140-V142 PolarHBondContact O-N 2.89Å; R140-W214 HydrophobicContact CB-CB 3.93Å; R140-W214 HydrophobicContact CB-CD2 4.34Å; R140-W214 HydrophobicContact CB-CG 3.67Å
141P96.8Very high92.8Very high5 Ų568 Ų683%0.03234%0.335CS..EExtended strand (participates in β ladder)trans-64.8127.8-179.926.2-34.3000110.1F129 W214 A215 G217F129-P141 VanDerWaalsContact CD1-CA 3.47Å; F129-P141 HydrophobicContact CD1-CB 3.89Å; F129-P141 HydrophobicContact CE1-CB 3.78Å; P141-W214 CarbonylContact O-C 3.58Å; P141-W214 VanDerWaalsContact O-CA 3.24Å; P141-W214 WeakPolarHBondContact O-CA 3.02Å; P141-A215 HydrophobicContact CB-CB 4.3Å; P141-A215 HydrophobicContact CG-CB 3.89Å; P141-A215 WeakPolarHBondContact CG-O 3.23Å; P141-A215 PolarHBondContact O-N 2.84Å; P141-G217 WeakPolarHBondContact CD-O 3.26Å
142V96Very high93Very high9 Ų967 Ų676%0.05534%0.335CS..BIsolated β-bridgetrans-68.1133.8171.5176.70000108.2L128 R140 A144 L206L128-V142 HydrophobicContact CB-CB 4.38Å; L128-V142 HydrophobicContact CB-CG2 4.48Å; L128-V142 HydrophobicContact CD2-CB 4.11Å; L128-V142 HydrophobicContact CD2-CG1 4.27Å; L128-V142 HydrophobicContact CD2-CG2 3.89Å; L128-V142 HydrophobicContact CG-CB 4.21Å; L128-V142 HydrophobicContact CG-CG2 3.84Å; L128-V142 PolarHBondContact O-N 3.08Å; R140-V142 PolarHBondContact O-N 2.89Å; V142-A144 HydrophobicContact CG1-CB 4.11Å; V142-A144 PolarHBondContact O-N 2.88Å; V142-L206 HydrophobicContact CG1-CD1 4.1Å; V142-L206 HydrophobicContact CG1-CD2 3.91Å
143Q94.4Very high93.5Very high125 Ų12562.9 Ų62.958%0.58432%0.319SS*.SBendtrans-77.762.2-179-165-177.5-0.600111.4H213 A215Q143-H213 HydrophobicContact CB-CB 4.1Å; Q143-H213 WeakPolarHBondContact CB-O 3.43Å; Q143-H213 PolarHBondContact N-O 2.62Å; Q143-A215 HydrophobicContact CB-CB 4.43Å; Q143-A215 HydrophobicContact CG-CB 4.48Å
144A93.6Very high93.9Very high32 Ų3261.3 Ų61.326%0.26431%0.313SS..  trans-142.6150.3177.900000110.3V142 F146 L206V142-A144 HydrophobicContact CG1-CB 4.11Å; V142-A144 PolarHBondContact O-N 2.88Å; A144-F146 HydrophobicContact CB-CE2 3.68Å; A144-F146 HydrophobicContact CB-CZ 3.77Å; A144-L206 HydrophobicContact CB-CD1 3.57Å
145K93.9Very high94.4Very high146 Ų14659 Ų5964%0.63530%0.3SS*.  trans-111.3117.9-176.3-170.1177.5177.9-1650110.7E147K145-E147 VanDerWaalsContact CE-OE1 3.29Å; K145-E147 WeakPolarHBondContact CE-OE1 3.32Å; K145-E147 WeakPolarHBondContact CE-OE2 3.08Å; K145-E147 HydrophobicContact CG-CG 4.14Å; K145-E147 IonicContact NZ-OE1 3.31Å; K145-E147 IonicContact NZ-OE2 3.32Å; K145-E147 PolarHBondContact NZ-OE2 2.89Å
146F97.8Very high94.8Very high7 Ų760.3 Ų60.33%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-117.292.4-179.6-57.2-75000110V125 C126 L128 A144 S177 V178 L204 L206V125-F146 WeakPolarHBondContact CA-O 3.4Å; C126-F146 HydrophobicContact CB-CB 3.79Å; C126-F146 PolarHBondContact N-O 2.71Å; C126-F146 WeakPolarHBondContact O-CB 3.5Å; L128-F146 HydrophobicContact CB-CD2 4.33Å; L128-F146 HydrophobicContact CB-CE2 3.9Å; L128-F146 HydrophobicContact CD2-CE2 3.99Å; L128-F146 HydrophobicContact CD2-CZ 4.24Å; A144-F146 HydrophobicContact CB-CE2 3.68Å; A144-F146 HydrophobicContact CB-CZ 3.77Å; F146-S177 WeakPolarHBondContact CD1-O 3.49Å; F146-V178 HydrophobicContact CB-CG2 3.7Å; F146-V178 HydrophobicContact CD1-CG2 4.11Å; F146-V178 HydrophobicContact CG-CG2 4.42Å; F146-L204 HydrophobicContact CB-CD1 4.41Å; F146-L204 HydrophobicContact CB-CD2 4.08Å; F146-L204 HydrophobicContact CD1-CB 4.12Å; F146-L204 HydrophobicContact CD1-CD1 4.01Å; F146-L204 HydrophobicContact CD1-CD2 3.85Å; F146-L204 HydrophobicContact CD1-CG 4.23Å; F146-L204 HydrophobicContact CD2-CD1 3.8Å; F146-L204 HydrophobicContact CE1-CB 3.89Å; F146-L204 HydrophobicContact CE1-CD1 4.15Å; F146-L204 HydrophobicContact CE1-CD2 4.48Å; F146-L204 HydrophobicContact CE1-CG 4.42Å; F146-L204 HydrophobicContact CE2-CD1 3.95Å; F146-L204 HydrophobicContact CG-CD1 3.81Å; F146-L204 HydrophobicContact CG-CD2 4.02Å; F146-L204 HydrophobicContact CG-CG 4.42Å; F146-L204 HydrophobicContact CZ-CB 4.31Å; F146-L204 HydrophobicContact CZ-CD1 4.1Å; F146-L206 HydrophobicContact CZ-CB 4.31Å; F146-L206 HydrophobicContact CZ-CD1 3.87Å
147E97.8Very high94.9Very high30 Ų3052.4 Ų52.414%0.1426%0.261CS..EExtended strand (participates in β ladder)trans-127.7143.1177.5-63.7-169.6156.600110.8K123 I124 V125 K145 H149 N173K123-E147 IonicContact NZ-OE1 3.42Å; K123-E147 PolarHBondContact NZ-OE1 2.78Å; K123-E147 IonicContact NZ-OE2 2.71Å; I124-E147 CarbonylContact O-C 3.53Å; I124-E147 WeakPolarHBondContact O-CA 3.39Å; V125-E147 HydrophobicContact CG1-CG 4.36Å; V125-E147 HydrophobicContact CG2-CG 4.17Å; K145-E147 VanDerWaalsContact CE-OE1 3.29Å; K145-E147 WeakPolarHBondContact CE-OE1 3.32Å; K145-E147 WeakPolarHBondContact CE-OE2 3.08Å; K145-E147 HydrophobicContact CG-CG 4.14Å; K145-E147 IonicContact NZ-OE1 3.31Å; K145-E147 IonicContact NZ-OE2 3.32Å; K145-E147 PolarHBondContact NZ-OE2 2.89Å; E147-H149 IonicContact OE2-NE2 3.78Å; E147-N173 PolarHBondContact O-ND2 3.01Å
148F97.9Very high94.9Very high1 Ų153 Ų530%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-134.4106.3173.9-156.1161.6000109.4K123 I124 D152 Y153 V171 N172 N173 V178 L180K123-F148 CarbonylContact C-O 3.58Å; K123-F148 WeakPolarHBondContact CA-O 3.32Å; I124-F148 HydrophobicContact CB-CB 4.41Å; I124-F148 PolarHBondContact N-O 3.19Å; I124-F148 PolarHBondContact O-N 3.38Å; F148-D152 HydrophobicContact CD2-CB 4.08Å; F148-D152 HydrophobicContact CE2-CB 3.75Å; F148-Y153 AromaticContact CD2-CD1 3.86Å; F148-Y153 HydrophobicContact CD2-CD1 3.86Å; F148-Y153 HydrophobicContact CD2-CG 4.47Å; F148-Y153 HydrophobicContact CE2-CD1 4.19Å; F148-Y153 HydrophobicContact CE2-CG 4.35Å; F148-Y153 HydrophobicContact CG-CD1 4.13Å; F148-V171 HydrophobicContact CE1-CG2 4.06Å; F148-V171 HydrophobicContact CZ-CB 4.49Å; F148-V171 HydrophobicContact CZ-CG2 4.2Å; F148-N172 VanDerWaalsContact CE1-C 3.41Å; F148-N172 WeakPolarHBondContact CZ-O 3.19Å; F148-N173 HydrophobicContact CB-CB 4.2Å; F148-N173 HydrophobicContact CD1-CB 4.06Å; F148-N173 HydrophobicContact CD2-CB 3.78Å; F148-N173 HydrophobicContact CE1-CB 4.38Å; F148-N173 HydrophobicContact CE2-CB 4.09Å; F148-N173 HydrophobicContact CG-CB 3.76Å; F148-N173 HydrophobicContact CZ-CB 4.4Å; F148-V178 HydrophobicContact CB-CG1 4.44Å; F148-V178 HydrophobicContact CD1-CB 4.43Å; F148-V178 HydrophobicContact CD1-CG1 4.21Å; F148-L180 HydrophobicContact CD1-CD1 3.48Å; F148-L180 VanDerWaalsContact CD1-CD1 3.48Å; F148-L180 HydrophobicContact CD1-CD2 4.22Å; F148-L180 HydrophobicContact CD1-CG 3.6Å; F148-L180 HydrophobicContact CE1-CD1 3.58Å; F148-L180 HydrophobicContact CE1-CG 3.67Å; F148-L180 HydrophobicContact CG-CD1 4.37Å
149H97.7Very high94.7Very high77 Ų7753.7 Ų53.736%0.35626%0.261SS..EExtended strand (participates in β ladder)trans-75.5146.8-177.9-71.2-87.9000112.2E147 G151 D152 Y153E147-H149 IonicContact OE2-NE2 3.78Å; H149-G151 VanDerWaalsContact C-N 3.32Å; H149-G151 PolarHBondContact O-N 3.1Å; H149-D152 PolarHBondContact O-N 3.17Å; H149-Y153 VanDerWaalsContact O-CD1 3.23Å; H149-Y153 WeakPolarHBondContact O-CD1 3.2Å; H149-Y153 PolarHBondContact O-N 2.87Å
150H97Very high94.2Very high9 Ų952.1 Ų52.14%0.04226%0.255CS..Hα-helixtrans-53.5-46.1179.3169.1-97.2000113.1K41 R118 I121 E122 D152 Y153 E154K41-H150 PolarHBondContact NZ-ND1 3Å; K41-H150 VanDerWaalsContact NZ-ND1 3.15Å; R118-H150 PolarHBondContact O-NE2 3.48Å; I121-H150 WeakPolarHBondContact O-CB 3.33Å; E122-H150 WeakPolarHBondContact O-CB 3.46Å; E122-H150 PolarHBondContact O-N 2.95Å; H150-D152 PolarHBondContact O-N 3Å; H150-D152 VanDerWaalsContact O-N 3.14Å; H150-Y153 VanDerWaalsContact CA-CZ 3.45Å; H150-Y153 HydrophobicContact CB-CE1 4.19Å; H150-Y153 HydrophobicContact CB-CE2 4.45Å; H150-Y153 AromaticContact CD2-CE2 3.63Å; H150-Y153 AromaticContact CD2-CZ 3.74Å; H150-Y153 PolarHBondContact CD2-OH 3.29Å; H150-Y153 PolarHBondContact O-N 3.34Å; H150-E154 IonicContact CE1-OE1 2.76Å; H150-E154 PolarHBondContact CE1-OE1 3.46Å; H150-E154 IonicContact CE1-OE2 2.73Å; H150-E154 PolarHBondContact CE1-OE2 3.49Å; H150-E154 IonicContact ND1-OE2 3.55Å; H150-E154 IonicContact NE2-OE1 2.76Å; H150-E154 PolarHBondContact NE2-OE1 3.41Å; H150-E154 IonicContact NE2-OE2 2.78Å; H150-E154 WeakPolarHBondContact O-CB 3.28Å; H150-E154 PolarHBondContact O-N 3.33Å
151G95.2Very high93.7Very high34 Ų3449.8 Ų49.835%0.35125%0.249SC..Hα-helixtrans-62-22.3178.700000114.4H149 K155H149-G151 VanDerWaalsContact C-N 3.32Å; H149-G151 PolarHBondContact O-N 3.1Å; G151-K155 VanDerWaalsContact O-CD 3.27Å; G151-K155 WeakPolarHBondContact O-CD 3.42Å; G151-K155 WeakPolarHBondContact O-CE 2.74Å; G151-K155 WeakPolarHBondContact O-CG 3.42Å
152D95.5Very high92.9Very high47 Ų4754 Ų5425%0.25128%0.279SS..Hα-helixtrans-86.5-45.7-179-64.3-33.9000112F148 H149 H150 Q156 P174F148-D152 HydrophobicContact CD2-CB 4.08Å; F148-D152 HydrophobicContact CE2-CB 3.75Å; H149-D152 PolarHBondContact O-N 3.17Å; H150-D152 PolarHBondContact O-N 3Å; H150-D152 VanDerWaalsContact O-N 3.14Å; D152-Q156 PolarHBondContact O-NE2 3.26Å; D152-P174 HydrophobicContact CB-CG 4.39Å
153Y94.9Very high92.1Very high0 Ų059.4 Ų59.40%030%0.298CS..Hα-helixtrans-75.1-30176.560.7-110.5000111.9I121 I124 F148 H149 H150 K155 Q156 F157I121-Y153 WeakPolarHBondContact CG2-OH 3.48Å; I124-Y153 HydrophobicContact CD1-CD1 4.42Å; I124-Y153 HydrophobicContact CD1-CE1 3.97Å; I124-Y153 HydrophobicContact CG1-CE1 4.21Å; F148-Y153 AromaticContact CD2-CD1 3.86Å; F148-Y153 HydrophobicContact CD2-CD1 3.86Å; F148-Y153 HydrophobicContact CD2-CG 4.47Å; F148-Y153 HydrophobicContact CE2-CD1 4.19Å; F148-Y153 HydrophobicContact CE2-CG 4.35Å; F148-Y153 HydrophobicContact CG-CD1 4.13Å; H149-Y153 VanDerWaalsContact O-CD1 3.23Å; H149-Y153 WeakPolarHBondContact O-CD1 3.2Å; H149-Y153 PolarHBondContact O-N 2.87Å; H150-Y153 VanDerWaalsContact CA-CZ 3.45Å; H150-Y153 HydrophobicContact CB-CE1 4.19Å; H150-Y153 HydrophobicContact CB-CE2 4.45Å; H150-Y153 AromaticContact CD2-CE2 3.63Å; H150-Y153 AromaticContact CD2-CZ 3.74Å; H150-Y153 PolarHBondContact CD2-OH 3.29Å; H150-Y153 PolarHBondContact O-N 3.34Å; Y153-K155 PolarHBondContact O-N 3.29Å; Y153-Q156 PolarHBondContact O-N 2.97Å; Y153-Q156 VanDerWaalsContact O-N 3.16Å; Y153-F157 AromaticContact CD2-CD2 3.92Å; Y153-F157 HydrophobicContact CD2-CD2 3.92Å; Y153-F157 AromaticContact CD2-CE2 3.35Å; Y153-F157 HydrophobicContact CD2-CE2 3.35Å; Y153-F157 AromaticContact CD2-CZ 3.73Å; Y153-F157 HydrophobicContact CD2-CZ 3.73Å; Y153-F157 AromaticContact CE2-CE2 3.86Å; Y153-F157 HydrophobicContact CE2-CE2 3.86Å; Y153-F157 HydrophobicContact CE2-CZ 4.47Å; Y153-F157 HydrophobicContact CG-CE2 4.31Å; Y153-F157 HydrophobicContact CG-CZ 4.28Å; Y153-F157 WeakPolarHBondContact O-CD1 3.38Å; Y153-F157 VanDerWaalsContact O-CG 3.26Å; Y153-F157 WeakPolarHBondContact O-CG 3.42Å; Y153-F157 PolarHBondContact O-N 2.85Å
154E94.4Very high91.2Very high57 Ų5762.9 Ų62.927%0.26631%0.312SS..Hα-helixtrans-62.8-42.8177-178.8172.2-120.900111.5H150 Q156 F157 L158H150-E154 IonicContact CE1-OE1 2.76Å; H150-E154 PolarHBondContact CE1-OE1 3.46Å; H150-E154 IonicContact CE1-OE2 2.73Å; H150-E154 PolarHBondContact CE1-OE2 3.49Å; H150-E154 IonicContact ND1-OE2 3.55Å; H150-E154 IonicContact NE2-OE1 2.76Å; H150-E154 PolarHBondContact NE2-OE1 3.41Å; H150-E154 IonicContact NE2-OE2 2.78Å; H150-E154 WeakPolarHBondContact O-CB 3.28Å; H150-E154 PolarHBondContact O-N 3.33Å; E154-Q156 VanDerWaalsContact C-N 3.25Å; E154-Q156 PolarHBondContact O-N 3.02Å; E154-F157 PolarHBondContact O-N 3.28Å; E154-F157 VanDerWaalsContact O-N 3.14Å; E154-L158 HydrophobicContact CG-CD1 4.43Å; E154-L158 HydrophobicContact CG-CG 4.49Å; E154-L158 WeakPolarHBondContact O-CG 3.23Å; E154-L158 PolarHBondContact O-N 2.84Å
155K92.6Very high90.2Very high149 Ų14965.4 Ų65.465%0.64832%0.321SS*.Hα-helixtrans-56-42.2173.4-73.9169.1-171.2170.60111.8G151 Y153 H159G151-K155 VanDerWaalsContact O-CD 3.27Å; G151-K155 WeakPolarHBondContact O-CD 3.42Å; G151-K155 WeakPolarHBondContact O-CE 2.74Å; G151-K155 WeakPolarHBondContact O-CG 3.42Å; Y153-K155 PolarHBondContact O-N 3.29Å; K155-H159 PolarHBondContact O-N 2.99Å
156Q92.7Very high89.4Confident52 Ų5265 Ų6524%0.24332%0.319CS..Hα-helixtrans-68.8-40.1177.4-70175.869.800111.8D152 Y153 E154 L158 H159 V160 V171 N172D152-Q156 PolarHBondContact O-NE2 3.26Å; Y153-Q156 PolarHBondContact O-N 2.97Å; Y153-Q156 VanDerWaalsContact O-N 3.16Å; E154-Q156 VanDerWaalsContact C-N 3.25Å; E154-Q156 PolarHBondContact O-N 3.02Å; Q156-L158 PolarHBondContact O-N 3.05Å; Q156-H159 WeakPolarHBondContact O-CB 3.13Å; Q156-H159 PolarHBondContact O-N 3.07Å; Q156-V160 VanDerWaalsContact O-CG2 3.26Å; Q156-V160 WeakPolarHBondContact O-CG2 3.24Å; Q156-V160 PolarHBondContact O-N 2.92Å; Q156-V171 HydrophobicContact CB-CB 4.15Å; Q156-V171 HydrophobicContact CB-CG1 3.71Å; Q156-V171 VanDerWaalsContact OE1-CB 3.24Å; Q156-N172 PolarHBondContact NE2-O 3.11Å; Q156-N172 VanDerWaalsContact OE1-N 3.14Å
157F91.5Very high88.5Confident0 Ų069.5 Ų69.50%035%0.347CS..Hα-helixtrans-61.7-43.2174.9-65-12.2000112.1L115 W116 Y153 E154 H159 V160 L161 V171 I182 F197L115-F157 HydrophobicContact CB-CE2 3.75Å; L115-F157 HydrophobicContact CB-CZ 4.01Å; L115-F157 HydrophobicContact CD1-CE2 4.48Å; L115-F157 HydrophobicContact CD1-CZ 3.94Å; W116-F157 HydrophobicContact CB-CD2 3.66Å; W116-F157 HydrophobicContact CB-CE2 3.99Å; W116-F157 HydrophobicContact CG-CD2 4.05Å; Y153-F157 AromaticContact CD2-CD2 3.92Å; Y153-F157 HydrophobicContact CD2-CD2 3.92Å; Y153-F157 AromaticContact CD2-CE2 3.35Å; Y153-F157 HydrophobicContact CD2-CE2 3.35Å; Y153-F157 AromaticContact CD2-CZ 3.73Å; Y153-F157 HydrophobicContact CD2-CZ 3.73Å; Y153-F157 AromaticContact CE2-CE2 3.86Å; Y153-F157 HydrophobicContact CE2-CE2 3.86Å; Y153-F157 HydrophobicContact CE2-CZ 4.47Å; Y153-F157 HydrophobicContact CG-CE2 4.31Å; Y153-F157 HydrophobicContact CG-CZ 4.28Å; Y153-F157 WeakPolarHBondContact O-CD1 3.38Å; Y153-F157 VanDerWaalsContact O-CG 3.26Å; Y153-F157 WeakPolarHBondContact O-CG 3.42Å; Y153-F157 PolarHBondContact O-N 2.85Å; E154-F157 PolarHBondContact O-N 3.28Å; E154-F157 VanDerWaalsContact O-N 3.14Å; F157-H159 VanDerWaalsContact C-N 3.29Å; F157-H159 PolarHBondContact O-N 2.85Å; F157-V160 CarbonylContact O-C 3.53Å; F157-V160 PolarHBondContact O-N 2.98Å; F157-V160 VanDerWaalsContact O-N 3.12Å; F157-L161 WeakPolarHBondContact O-CG 2.88Å; F157-L161 PolarHBondContact O-N 3.37Å; F157-V171 HydrophobicContact CD1-CG1 4.17Å; F157-V171 HydrophobicContact CE1-CG1 4.1Å; F157-V171 HydrophobicContact CE1-CG2 3.79Å; F157-I182 HydrophobicContact CD1-CD1 3.52Å; F157-I182 HydrophobicContact CE1-CD1 3.2Å; F157-I182 HydrophobicContact CE1-CG2 4.23Å; F157-I182 HydrophobicContact CZ-CD1 4.11Å; F157-I182 HydrophobicContact CZ-CG2 4.36Å; F157-F197 HydrophobicContact CB-CD2 3.88Å; F157-F197 HydrophobicContact CB-CE2 3.82Å; F157-F197 HydrophobicContact CD1-CD2 4.4Å; F157-F197 HydrophobicContact CD2-CD2 4.12Å; F157-F197 HydrophobicContact CE2-CB 4.44Å; F157-F197 AromaticContact CG-CD2 3.89Å; F157-F197 HydrophobicContact CG-CD2 3.89Å; F157-F197 HydrophobicContact CG-CE2 4.29Å; F157-F197 HydrophobicContact CG-CG 4.46Å
158L90.3Very high87.4Confident97 Ų9770.6 Ų70.651%0.50837%0.367SS..Hα-helixtrans-60.4-39.2176.4-68.8175.3000111.9E154 Q156 L161E154-L158 HydrophobicContact CG-CD1 4.43Å; E154-L158 HydrophobicContact CG-CG 4.49Å; E154-L158 WeakPolarHBondContact O-CG 3.23Å; E154-L158 PolarHBondContact O-N 2.84Å; Q156-L158 PolarHBondContact O-N 3.05Å; L158-L161 HydrophobicContact CD2-CD1 3.98Å; L158-L161 PolarHBondContact O-N 2.85Å
159H87.5Confident86.8Confident112 Ų11271.2 Ų71.252%0.51937%0.37SS..Hα-helixtrans-64.1-44.5172.7-174.365.1000111.7K155 Q156 F157 L161 S162K155-H159 PolarHBondContact O-N 2.99Å; Q156-H159 WeakPolarHBondContact O-CB 3.13Å; Q156-H159 PolarHBondContact O-N 3.07Å; F157-H159 VanDerWaalsContact C-N 3.29Å; F157-H159 PolarHBondContact O-N 2.85Å; H159-L161 VanDerWaalsContact C-N 3.31Å; H159-L161 PolarHBondContact O-N 3.35Å; H159-S162 PolarHBondContact O-N 3.38Å; H159-S162 PolarHBondContact O-OG 2.89Å
160V86Confident86.4Confident10 Ų1070.8 Ų70.86%0.06137%0.373CS..Hα-helixtrans-66.1-29.2178.6171.30000112.7Q156 F157 S162 R163 I169 F197Q156-V160 VanDerWaalsContact O-CG2 3.26Å; Q156-V160 WeakPolarHBondContact O-CG2 3.24Å; Q156-V160 PolarHBondContact O-N 2.92Å; F157-V160 CarbonylContact O-C 3.53Å; F157-V160 PolarHBondContact O-N 2.98Å; F157-V160 VanDerWaalsContact O-N 3.12Å; V160-S162 PolarHBondContact O-N 2.93Å; V160-S162 VanDerWaalsContact O-N 3.14Å; V160-R163 WeakPolarHBondContact O-CA 3.31Å; V160-R163 WeakPolarHBondContact O-CB 3.28Å; V160-R163 PolarHBondContact O-N 2.82Å; V160-I169 HydrophobicContact CG1-CD1 3.61Å; V160-I169 HydrophobicContact CG1-CG1 4.04Å; V160-I169 HydrophobicContact CG1-CG2 3.91Å; V160-I169 HydrophobicContact CG2-CG2 3.83Å; V160-F197 HydrophobicContact CB-CZ 4.34Å; V160-F197 HydrophobicContact CG1-CE1 3.88Å; V160-F197 HydrophobicContact CG1-CZ 3.86Å
161L84.3Confident86.1Confident46 Ų4670.5 Ų70.524%0.24137%0.371CS..Hα-helixtrans-57.3-29.9177.3-77.1175.3000113W116 F157 L158 H159 R163 R184 T195 F197W116-L161 HydrophobicContact CH2-CD1 3.92Å; W116-L161 HydrophobicContact CH2-CD2 4.46Å; W116-L161 HydrophobicContact CZ2-CD1 3.97Å; W116-L161 HydrophobicContact CZ3-CD1 4.47Å; W116-L161 HydrophobicContact CZ3-CD2 4.28Å; F157-L161 WeakPolarHBondContact O-CG 2.88Å; F157-L161 PolarHBondContact O-N 3.37Å; L158-L161 HydrophobicContact CD2-CD1 3.98Å; L158-L161 PolarHBondContact O-N 2.85Å; H159-L161 VanDerWaalsContact C-N 3.31Å; H159-L161 PolarHBondContact O-N 3.35Å; L161-R163 VanDerWaalsContact C-N 3.25Å; L161-R163 PolarHBondContact O-N 3.43Å; L161-R184 PolarHBondContact O-NH1 2.81Å; L161-T195 HydrophobicContact CD2-CG2 3.81Å; L161-F197 HydrophobicContact CD2-CE2 3.61Å; L161-F197 HydrophobicContact CD2-CZ 3.76Å; L161-F197 HydrophobicContact CG-CE2 3.91Å; L161-F197 HydrophobicContact CG-CZ 4.16Å
162S80.1Confident86.1Confident95 Ų9571 Ų7166%0.66437%0.366SS*.THydrogen-bonded Turntrans-70.9-19.3175.873.70000113.5H159 V160H159-S162 PolarHBondContact O-N 3.38Å; H159-S162 PolarHBondContact O-OG 2.89Å; V160-S162 PolarHBondContact O-N 2.93Å; V160-S162 VanDerWaalsContact O-N 3.14Å
163R79.3Confident86Confident122 Ų12268.9 Ų68.946%0.4635%0.354SS..SBendtrans-87.1160.7179.8-58.5-175.8173.7-174.8-5.2111V160 L161 R184V160-R163 WeakPolarHBondContact O-CA 3.31Å; V160-R163 WeakPolarHBondContact O-CB 3.28Å; V160-R163 PolarHBondContact O-N 2.82Å; L161-R163 VanDerWaalsContact C-N 3.25Å; L161-R163 PolarHBondContact O-N 3.43Å; R163-R184 PolarHBondContact O-NH1 2.71Å
164K75.3Confident85.9Confident198 Ų19873.1 Ų73.186%0.86138%0.382SS*.  trans-91.7-5.7176.7-70.1-174.5-179.6177.80113.6K166K164-K166 PolarHBondContact O-N 2.89Å
165D73.3Confident85.7Confident85 Ų8576.8 Ų76.846%0.45540%0.403SS..  trans-61.5133.9-176-55.6-41.8000110.9I169D165-I169 HydrophobicContact CB-CG1 4.21Å
166K76.1Confident85.5Confident138 Ų13872.8 Ų72.860%0.639%0.387SS*.  trans-102.5-34-178.3-66.6-172.2-178.3178.10112.9K164 R184K164-K166 PolarHBondContact O-N 2.89Å; K166-R184 WeakPolarHBondContact O-CA 3.18Å; K166-R184 WeakPolarHBondContact O-CB 3.19Å; K166-R184 PolarHBondContact O-N 3.04Å
167T78.6Confident85.5Confident100 Ų10071.1 Ų71.161%0.61338%0.381SS*.SBendtrans-138.1160.7-172.755.90000111.3I169 D183T167-I169 VanDerWaalsContact C-N 3.25Å; T167-I169 PolarHBondContact O-N 3.08Å; T167-D183 WeakPolarHBondContact CA-OD1 3.24Å; T167-D183 VanDerWaalsContact CB-OD1 3.27Å; T167-D183 WeakPolarHBondContact CB-OD1 3.49Å; T167-D183 HydrophobicContact CG2-CB 4.45Å
168G74.5Confident85.7Confident54 Ų5471.1 Ų71.156%0.55738%0.381SS*.  trans68.523.3174.800000114.1D183G168-D183 PolarHBondContact N-OD1 3Å; G168-D183 VanDerWaalsContact N-OD1 3.1Å
169I86.1Confident85.9Confident14 Ų1467.8 Ų67.87%0.07236%0.363CS..EExtended strand (participates in β ladder)trans-72.2132.4173.7-63.6148.6000107.4V160 D165 T167 V171 F181 I182 R184 F197V160-I169 HydrophobicContact CG1-CD1 3.61Å; V160-I169 HydrophobicContact CG1-CG1 4.04Å; V160-I169 HydrophobicContact CG1-CG2 3.91Å; V160-I169 HydrophobicContact CG2-CG2 3.83Å; D165-I169 HydrophobicContact CB-CG1 4.21Å; T167-I169 VanDerWaalsContact C-N 3.25Å; T167-I169 PolarHBondContact O-N 3.08Å; I169-V171 HydrophobicContact CG2-CG1 4.39Å; I169-F181 WeakPolarHBondContact O-CA 3.44Å; I169-I182 HydrophobicContact CB-CD1 4.09Å; I169-I182 HydrophobicContact CB-CG1 3.56Å; I169-I182 HydrophobicContact CD1-CG1 4.43Å; I169-I182 HydrophobicContact CG2-CD1 3.62Å; I169-I182 HydrophobicContact CG2-CG1 3.66Å; I169-I182 PolarHBondContact N-O 3.14Å; I169-I182 VanDerWaalsContact N-O 3.16Å; I169-I182 PolarHBondContact O-N 2.99Å; I169-R184 HydrophobicContact CD1-CB 4.12Å; I169-F197 HydrophobicContact CD1-CE1 4.02Å
170V89.4Confident86.3Confident68 Ų6862.5 Ų62.541%0.41234%0.338SS..EExtended strand (participates in β ladder)trans-115.7129.1176.7-173.30000109F179 L180 F181V170-F179 HydrophobicContact CG1-CB 4.28Å; V170-F179 HydrophobicContact CG1-CD1 4Å; V170-L180 WeakPolarHBondContact CA-O 3.37Å; V170-F181 HydrophobicContact CG2-CD1 3.59Å; V170-F181 HydrophobicContact CG2-CE1 3.52Å; V170-F181 HydrophobicContact CG2-CG 4.37Å; V170-F181 HydrophobicContact CG2-CZ 4.25Å
171V91.5Very high86.6Confident2 Ų264.8 Ų64.81%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-123.2151.8170.9-60.50000109.5F148 Q156 F157 I169 F179 L180 I182F148-V171 HydrophobicContact CE1-CG2 4.06Å; F148-V171 HydrophobicContact CZ-CB 4.49Å; F148-V171 HydrophobicContact CZ-CG2 4.2Å; Q156-V171 HydrophobicContact CB-CB 4.15Å; Q156-V171 HydrophobicContact CB-CG1 3.71Å; Q156-V171 VanDerWaalsContact OE1-CB 3.24Å; F157-V171 HydrophobicContact CD1-CG1 4.17Å; F157-V171 HydrophobicContact CE1-CG1 4.1Å; F157-V171 HydrophobicContact CE1-CG2 3.79Å; I169-V171 HydrophobicContact CG2-CG1 4.39Å; V171-F179 CarbonylContact O-C 3.6Å; V171-F179 WeakPolarHBondContact O-CA 3.45Å; V171-L180 HydrophobicContact CG2-CB 3.76Å; V171-L180 HydrophobicContact CG2-CD1 4.12Å; V171-L180 HydrophobicContact CG2-CG 4.26Å; V171-L180 PolarHBondContact N-O 2.8Å; V171-L180 PolarHBondContact O-N 3.19Å; V171-I182 HydrophobicContact CG1-CD1 4.22Å
172N93.9Very high87Confident45 Ų4562.6 Ų62.624%0.24134%0.336CS..EExtended strand (participates in β ladder)trans-136.6151.1-176.163.7-83.7000112.6F148 Q156 V178 F179F148-N172 VanDerWaalsContact CE1-C 3.41Å; F148-N172 WeakPolarHBondContact CZ-O 3.19Å; Q156-N172 PolarHBondContact NE2-O 3.11Å; Q156-N172 VanDerWaalsContact OE1-N 3.14Å; N172-V178 CarbonylContact C-O 3.58Å; N172-V178 VanDerWaalsContact CA-O 3.26Å; N172-V178 WeakPolarHBondContact CA-O 3.35Å; N172-F179 HydrophobicContact CB-CD1 3.49Å; N172-F179 VanDerWaalsContact CB-CD1 3.49Å; N172-F179 HydrophobicContact CB-CE1 3.52Å; N172-F179 HydrophobicContact CB-CG 4.08Å; N172-F179 HydrophobicContact CB-CZ 4.13Å
173N94Very high87.4Confident2 Ų260.1 Ų60.11%0.01132%0.315CS..  trans-68.7162.1174.674.6-23.6000110.8E147 F148 N175 Q176 S177 V178E147-N173 PolarHBondContact O-ND2 3.01Å; F148-N173 HydrophobicContact CB-CB 4.2Å; F148-N173 HydrophobicContact CD1-CB 4.06Å; F148-N173 HydrophobicContact CD2-CB 3.78Å; F148-N173 HydrophobicContact CE1-CB 4.38Å; F148-N173 HydrophobicContact CE2-CB 4.09Å; F148-N173 HydrophobicContact CG-CB 3.76Å; F148-N173 HydrophobicContact CZ-CB 4.4Å; N173-N175 PolarHBondContact O-N 3.05Å; N173-N175 VanDerWaalsContact O-N 3.16Å; N173-Q176 PolarHBondContact O-N 2.79Å; N173-Q176 WeakPolarHBondContact OD1-CA 3.3Å; N173-Q176 PolarHBondContact OD1-N 3.41Å; N173-S177 PolarHBondContact ND2-OG 3.19Å; N173-S177 PolarHBondContact OD1-N 3.29Å; N173-V178 HydrophobicContact CB-CB 4.38Å; N173-V178 PolarHBondContact N-O 3.35Å; N173-V178 PolarHBondContact OD1-N 3.17Å; N173-V178 PolarHBondContact OD1-O 2.92Å
174P92.1Very high88Confident89 Ų8956.1 Ų56.158%0.57830%0.3SS*.THydrogen-bonded Turntrans-55.9-33.1-179.9-28.536.3000114.1D152 Q176D152-P174 HydrophobicContact CB-CG 4.39Å; P174-Q176 PolarHBondContact O-N 3.4Å
175N89.9Confident88.6Confident134 Ų13450.7 Ų50.772%0.71728%0.278SS*.THydrogen-bonded Turntrans-79.2-3.4178.8-63.6-19.2000113.8N173 S177N173-N175 PolarHBondContact O-N 3.05Å; N173-N175 VanDerWaalsContact O-N 3.16Å; N175-S177 PolarHBondContact O-N 3.1Å; N175-S177 VanDerWaalsContact O-N 3.14Å
176Q89.7Confident89.2Confident65 Ų6551.7 Ų51.730%0.30428%0.28SS..SBendtrans52.234.7-176.8-55.5-179.4-15.300113.2N173 P174 F179N173-Q176 PolarHBondContact O-N 2.79Å; N173-Q176 WeakPolarHBondContact OD1-CA 3.3Å; N173-Q176 PolarHBondContact OD1-N 3.41Å; P174-Q176 PolarHBondContact O-N 3.4Å; Q176-F179 HydrophobicContact CB-CZ 4.22Å; Q176-F179 VanDerWaalsContact O-CE2 3.32Å; Q176-F179 WeakPolarHBondContact O-CE2 3.38Å
177S92.6Very high89.3Confident17 Ų1749.2 Ų49.212%0.11927%0.272CS..  trans-105.1-18.5177.6650000112.8F146 N173 N175 L204 Y205F146-S177 WeakPolarHBondContact CD1-O 3.49Å; N173-S177 PolarHBondContact ND2-OG 3.19Å; N173-S177 PolarHBondContact OD1-N 3.29Å; N175-S177 PolarHBondContact O-N 3.1Å; N175-S177 VanDerWaalsContact O-N 3.14Å; S177-L204 WeakPolarHBondContact O-CA 3.31Å; S177-Y205 PolarHBondContact O-N 2.96Å
178V96.4Very high89.2Confident1 Ų151.4 Ų51.41%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-129.6122.9179.1-172.40000109F146 F148 N172 N173 L180 I202 L204F146-V178 HydrophobicContact CB-CG2 3.7Å; F146-V178 HydrophobicContact CD1-CG2 4.11Å; F146-V178 HydrophobicContact CG-CG2 4.42Å; F148-V178 HydrophobicContact CB-CG1 4.44Å; F148-V178 HydrophobicContact CD1-CB 4.43Å; F148-V178 HydrophobicContact CD1-CG1 4.21Å; N172-V178 CarbonylContact C-O 3.58Å; N172-V178 VanDerWaalsContact CA-O 3.26Å; N172-V178 WeakPolarHBondContact CA-O 3.35Å; N173-V178 HydrophobicContact CB-CB 4.38Å; N173-V178 PolarHBondContact N-O 3.35Å; N173-V178 PolarHBondContact OD1-N 3.17Å; N173-V178 PolarHBondContact OD1-O 2.92Å; V178-L180 HydrophobicContact CG1-CD2 4.1Å; V178-I202 HydrophobicContact CG1-CG2 4.09Å; V178-L204 HydrophobicContact CB-CD2 4.37Å; V178-L204 HydrophobicContact CG1-CD2 4.14Å; V178-L204 HydrophobicContact CG2-CD2 3.96Å
179F94.5Very high89Confident27 Ų2751.6 Ų51.612%0.11827%0.266CS..EExtended strand (participates in β ladder)trans-115.6132.1175-64.3-101.5000108.8V170 V171 N172 Q176 F181 I202 C203 Y205V170-F179 HydrophobicContact CG1-CB 4.28Å; V170-F179 HydrophobicContact CG1-CD1 4Å; V171-F179 CarbonylContact O-C 3.6Å; V171-F179 WeakPolarHBondContact O-CA 3.45Å; N172-F179 HydrophobicContact CB-CD1 3.49Å; N172-F179 VanDerWaalsContact CB-CD1 3.49Å; N172-F179 HydrophobicContact CB-CE1 3.52Å; N172-F179 HydrophobicContact CB-CG 4.08Å; N172-F179 HydrophobicContact CB-CZ 4.13Å; Q176-F179 HydrophobicContact CB-CZ 4.22Å; Q176-F179 VanDerWaalsContact O-CE2 3.32Å; Q176-F179 WeakPolarHBondContact O-CE2 3.38Å; F179-F181 HydrophobicContact CB-CE2 4.44Å; F179-I202 WeakPolarHBondContact O-CA 3.1Å; F179-C203 HydrophobicContact CB-CB 4.21Å; F179-C203 PolarHBondContact N-O 2.67Å; F179-C203 PolarHBondContact O-N 3.45Å; F179-Y205 AromaticContact CD2-CD1 3.57Å; F179-Y205 HydrophobicContact CD2-CD1 3.57Å; F179-Y205 AromaticContact CD2-CE1 3.74Å; F179-Y205 HydrophobicContact CD2-CE1 3.74Å; F179-Y205 HydrophobicContact CD2-CG 4Å; F179-Y205 AromaticContact CE2-CD1 3.45Å; F179-Y205 HydrophobicContact CE2-CD1 3.45Å; F179-Y205 VanDerWaalsContact CE2-CD1 3.45Å; F179-Y205 AromaticContact CE2-CD2 3.62Å; F179-Y205 HydrophobicContact CE2-CD2 3.62Å; F179-Y205 AromaticContact CE2-CE1 3.67Å; F179-Y205 HydrophobicContact CE2-CE1 3.67Å; F179-Y205 AromaticContact CE2-CE2 3.86Å; F179-Y205 HydrophobicContact CE2-CE2 3.86Å; F179-Y205 AromaticContact CE2-CG 3.42Å; F179-Y205 HydrophobicContact CE2-CG 3.42Å; F179-Y205 VanDerWaalsContact CE2-CG 3.42Å; F179-Y205 AromaticContact CE2-CZ 3.86Å; F179-Y205 HydrophobicContact CG-CE1 4.43Å; F179-Y205 HydrophobicContact CZ-CD1 4.42Å; F179-Y205 HydrophobicContact CZ-CD2 4.05Å; F179-Y205 HydrophobicContact CZ-CE1 4.29Å; F179-Y205 AromaticContact CZ-CE2 3.94Å; F179-Y205 HydrophobicContact CZ-CE2 3.94Å; F179-Y205 HydrophobicContact CZ-CG 4.3Å
180L94.9Very high88.5Confident0 Ų057.8 Ų57.80%031%0.308CS..EExtended strand (participates in β ladder)trans-110.2125.5176-52179000108.3L115 I124 F148 V170 V171 V178 I182 L199 I202L115-L180 HydrophobicContact CD1-CD1 3.95Å; I124-L180 HydrophobicContact CD1-CD1 3.79Å; I124-L180 HydrophobicContact CD1-CD2 4.33Å; F148-L180 HydrophobicContact CD1-CD1 3.48Å; F148-L180 VanDerWaalsContact CD1-CD1 3.48Å; F148-L180 HydrophobicContact CD1-CD2 4.22Å; F148-L180 HydrophobicContact CD1-CG 3.6Å; F148-L180 HydrophobicContact CE1-CD1 3.58Å; F148-L180 HydrophobicContact CE1-CG 3.67Å; F148-L180 HydrophobicContact CG-CD1 4.37Å; V170-L180 WeakPolarHBondContact CA-O 3.37Å; V171-L180 HydrophobicContact CG2-CB 3.76Å; V171-L180 HydrophobicContact CG2-CD1 4.12Å; V171-L180 HydrophobicContact CG2-CG 4.26Å; V171-L180 PolarHBondContact N-O 2.8Å; V171-L180 PolarHBondContact O-N 3.19Å; V178-L180 HydrophobicContact CG1-CD2 4.1Å; L180-I182 HydrophobicContact CB-CG2 4.2Å; L180-L199 HydrophobicContact CB-CD1 3.75Å; L180-L199 HydrophobicContact CD2-CD1 3.88Å; L180-L199 HydrophobicContact CG-CD1 4.27Å; L180-I202 HydrophobicContact CD2-CD1 4.07Å; L180-I202 HydrophobicContact CD2-CG1 3.87Å; L180-I202 HydrophobicContact CD2-CG2 4.39Å
181F92Very high87.9Confident59 Ų5964.2 Ų64.226%0.25933%0.33SS..EExtended strand (participates in β ladder)trans-93.7122.4170-65.4-101.9000107.7I169 V170 F179 C200 S201 C203I169-F181 WeakPolarHBondContact O-CA 3.44Å; V170-F181 HydrophobicContact CG2-CD1 3.59Å; V170-F181 HydrophobicContact CG2-CE1 3.52Å; V170-F181 HydrophobicContact CG2-CG 4.37Å; V170-F181 HydrophobicContact CG2-CZ 4.25Å; F179-F181 HydrophobicContact CB-CE2 4.44Å; F181-C200 PolarHBondContact O-N 3.46Å; F181-S201 VanDerWaalsContact CB-OG 3.3Å; F181-S201 WeakPolarHBondContact CB-OG 3.49Å; F181-S201 VanDerWaalsContact CD2-OG 3.22Å; F181-S201 WeakPolarHBondContact CD2-OG 3.15Å; F181-S201 WeakPolarHBondContact CG-OG 3.35Å; F181-S201 PolarHBondContact N-O 3.35Å; F181-S201 PolarHBondContact O-N 3.45Å; F181-C203 HydrophobicContact CE2-CB 3.7Å
182I91.9Very high87Confident0 Ų069.4 Ų69.40%036%0.358CS..EExtended strand (participates in β ladder)trans-127.8146.8-17472.9-173.9000111.4L115 F157 I169 V171 L180 F197 K198 L199L115-I182 HydrophobicContact CD1-CG2 4.46Å; F157-I182 HydrophobicContact CD1-CD1 3.52Å; F157-I182 HydrophobicContact CE1-CD1 3.2Å; F157-I182 HydrophobicContact CE1-CG2 4.23Å; F157-I182 HydrophobicContact CZ-CD1 4.11Å; F157-I182 HydrophobicContact CZ-CG2 4.36Å; I169-I182 HydrophobicContact CB-CD1 4.09Å; I169-I182 HydrophobicContact CB-CG1 3.56Å; I169-I182 HydrophobicContact CD1-CG1 4.43Å; I169-I182 HydrophobicContact CG2-CD1 3.62Å; I169-I182 HydrophobicContact CG2-CG1 3.66Å; I169-I182 PolarHBondContact N-O 3.14Å; I169-I182 VanDerWaalsContact N-O 3.16Å; I169-I182 PolarHBondContact O-N 2.99Å; V171-I182 HydrophobicContact CG1-CD1 4.22Å; L180-I182 HydrophobicContact CB-CG2 4.2Å; I182-F197 HydrophobicContact CD1-CB 4.39Å; I182-F197 HydrophobicContact CD1-CD1 3.92Å; I182-F197 HydrophobicContact CD1-CE1 4.46Å; I182-F197 HydrophobicContact CD1-CG 4.25Å; I182-F197 HydrophobicContact CG1-CD1 4.33Å; I182-K198 CarbonylContact C-O 3.55Å; I182-K198 WeakPolarHBondContact CA-O 3.38Å; I182-K198 WeakPolarHBondContact CB-O 3.34Å; I182-L199 HydrophobicContact CG2-CD1 4.45Å
183D90.5Very high86.1Confident43 Ų4374.6 Ų74.623%0.2338%0.378CS..EExtended strand (participates in β ladder)trans-110.9138.7168.8-70.3-24.8000110.5T167 G168 F197 K198 C200T167-D183 WeakPolarHBondContact CA-OD1 3.24Å; T167-D183 VanDerWaalsContact CB-OD1 3.27Å; T167-D183 WeakPolarHBondContact CB-OD1 3.49Å; T167-D183 HydrophobicContact CG2-CB 4.45Å; G168-D183 PolarHBondContact N-OD1 3Å; G168-D183 VanDerWaalsContact N-OD1 3.1Å; D183-F197 WeakPolarHBondContact O-CA 3.4Å; D183-K198 PolarHBondContact N-O 2.96Å; D183-K198 PolarHBondContact O-N 3.06Å; D183-C200 PolarHBondContact OD2-SG 3.25Å
184R90.5Very high85.7Confident38 Ų3876.1 Ų76.114%0.14339%0.391CS..EExtended strand (participates in β ladder)trans-89.7120.2172.1-173.6-175.3177.51646.2109.1L161 R163 K166 I169 T195 I196 F197L161-R184 PolarHBondContact O-NH1 2.81Å; R163-R184 PolarHBondContact O-NH1 2.71Å; K166-R184 WeakPolarHBondContact O-CA 3.18Å; K166-R184 WeakPolarHBondContact O-CB 3.19Å; K166-R184 PolarHBondContact O-N 3.04Å; I169-R184 HydrophobicContact CD1-CB 4.12Å; R184-T195 HydrophobicContact CG-CG2 3.6Å; R184-T195 VanDerWaalsContact NE-CG2 3.34Å; R184-I196 WeakPolarHBondContact CA-O 3.09Å; R184-F197 HydrophobicContact CB-CD1 3.89Å; R184-F197 HydrophobicContact CB-CE1 3.62Å; R184-F197 HydrophobicContact CG-CD1 4.21Å; R184-F197 HydrophobicContact CG-CE1 3.71Å; R184-F197 HydrophobicContact CG-CZ 4.31Å
185Q88.7Confident85.5Confident84 Ų8473.2 Ų73.239%0.39337%0.371SS..EExtended strand (participates in β ladder)trans-118.7153.5172.9-60.6-177.1-0.400110.6T195 I196 K198Q185-T195 CarbonylContact O-C 3.57Å; Q185-T195 WeakPolarHBondContact O-CA 3.18Å; Q185-I196 HydrophobicContact CB-CD1 4.08Å; Q185-I196 HydrophobicContact CB-CG1 3.72Å; Q185-I196 PolarHBondContact N-O 2.9Å; Q185-I196 PolarHBondContact O-N 2.89Å; Q185-K198 HydrophobicContact CG-CD 4.39Å; Q185-K198 VanDerWaalsContact OE1-CD 3.32Å; Q185-K198 VanDerWaalsContact OE1-CE 3.31Å
186H84.6Confident85.6Confident105 Ų10567.3 Ų67.349%0.48634%0.34SS..EExtended strand (participates in β ladder)trans-107.9109.3172-68.6-68.8000108.6Q188 A194 T195H186-Q188 PolarHBondContact O-N 3.31Å; H186-A194 CarbonylContact C-O 3.58Å; H186-A194 WeakPolarHBondContact CA-O 3.49Å; H186-T195 PolarHBondContact CE1-OG1 3.34Å; H186-T195 VanDerWaalsContact CE1-OG1 3.24Å; H186-T195 PolarHBondContact ND1-OG1 3.38Å
187L79.5Confident85.8Confident86 Ų8664.2 Ų64.245%0.4533%0.325SS..EExtended strand (participates in β ladder)trans-83.8106.1174.4-158.2122.3000108T189 A194 I196L187-T189 HydrophobicContact CD2-CG2 3.77Å; L187-A194 PolarHBondContact N-O 3.17Å; L187-A194 PolarHBondContact O-N 3.09Å; L187-I196 HydrophobicContact CB-CG2 4.44Å; L187-I196 HydrophobicContact CD1-CD1 4.19Å
188Q76.1Confident85.9Confident146 Ų14664.8 Ų64.868%0.68233%0.326SS*.EExtended strand (participates in β ladder)trans-94108.1176-174.3167.91.400109.1H186 K193H186-Q188 PolarHBondContact O-N 3.31Å; Q188-K193 HydrophobicContact CB-CG 4.47Å; Q188-K193 HydrophobicContact CG-CG 4.12Å
189T71.1Confident85.8Confident58 Ų5864.8 Ų64.836%0.35633%0.326SS..EExtended strand (participates in β ladder)trans-94.5160.7163.165.70000108.8L187 K191 N192L187-T189 HydrophobicContact CD2-CG2 3.77Å; T189-K191 PolarHBondContact O-N 3.1Å; T189-N192 PolarHBondContact N-O 3.06Å; T189-N192 PolarHBondContact O-N 3.31Å; T189-N192 PolarHBondContact OG1-N 3.08Å; T189-N192 PolarHBondContact OG1-O 3.15Å
190P74.9Confident85.7Confident145 Ų14565.3 Ų65.394%0.94233%0.332SS*.THydrogen-bonded Turntrans-54.5-26.3176.4-2734.8000113.8
191K76.2Confident85.6Confident203 Ų20366.4 Ų66.488%0.88334%0.34SS*.THydrogen-bonded Turntrans-102.5-19.1-176.5-63.8-174.2178.7-177.90114T189T189-K191 PolarHBondContact O-N 3.1Å
192N73.3Confident85.7Confident111 Ų11163.6 Ų63.659%0.59433%0.328SS*.EExtended strand (participates in β ladder)trans-156141.8-168.3-142.8-4.2000113.1T189T189-N192 PolarHBondContact N-O 3.06Å; T189-N192 PolarHBondContact O-N 3.31Å; T189-N192 PolarHBondContact OG1-N 3.08Å; T189-N192 PolarHBondContact OG1-O 3.15Å
193K76Confident85.8Confident153 Ų15363.6 Ų63.667%0.66533%0.328SS*.EExtended strand (participates in β ladder)trans-104.2107.9167.6-73-176.7179.7179.70108.1Q188Q188-K193 HydrophobicContact CB-CG 4.47Å; Q188-K193 HydrophobicContact CG-CG 4.12Å
194A84.8Confident86Confident35 Ų3561.6 Ų61.629%0.28932%0.317SS..EExtended strand (participates in β ladder)trans-102.2135.8174.700000109.6H186 L187H186-A194 CarbonylContact C-O 3.58Å; H186-A194 WeakPolarHBondContact CA-O 3.49Å; L187-A194 PolarHBondContact N-O 3.17Å; L187-A194 PolarHBondContact O-N 3.09Å
195T88.4Confident86.1Confident27 Ų2761.9 Ų61.917%0.16632%0.318CS..EExtended strand (participates in β ladder)trans-81.6139.3163.4-59.20000107.6W116 L161 R184 Q185 H186W116-T195 WeakPolarHBondContact CZ3-O 3.43Å; L161-T195 HydrophobicContact CD2-CG2 3.81Å; R184-T195 HydrophobicContact CG-CG2 3.6Å; R184-T195 VanDerWaalsContact NE-CG2 3.34Å; Q185-T195 CarbonylContact O-C 3.57Å; Q185-T195 WeakPolarHBondContact O-CA 3.18Å; H186-T195 PolarHBondContact CE1-OG1 3.34Å; H186-T195 VanDerWaalsContact CE1-OG1 3.24Å; H186-T195 PolarHBondContact ND1-OG1 3.38Å
196I91.7Very high86.1Confident10 Ų1057.9 Ų57.95%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-128.2147.4172.464.9173.8000109.2I114 W116 R184 Q185 L187 K198I114-I196 HydrophobicContact CD1-CD1 4.46Å; W116-I196 WeakPolarHBondContact O-CA 3.4Å; R184-I196 WeakPolarHBondContact CA-O 3.09Å; Q185-I196 HydrophobicContact CB-CD1 4.08Å; Q185-I196 HydrophobicContact CB-CG1 3.72Å; Q185-I196 PolarHBondContact N-O 2.9Å; Q185-I196 PolarHBondContact O-N 2.89Å; L187-I196 HydrophobicContact CB-CG2 4.44Å; L187-I196 HydrophobicContact CD1-CD1 4.19Å; I196-K198 HydrophobicContact CD1-CD 4.13Å; I196-K198 HydrophobicContact CD1-CG 4.2Å
197F93.8Very high86.2Confident0 Ų054.6 Ų54.60%029%0.288CS..EExtended strand (participates in β ladder)trans-110.3122.4167.4-68-68.7000108.7L115 W116 F157 V160 L161 I169 I182 D183 R184L115-F197 PolarHBondContact N-O 2.79Å; W116-F197 HydrophobicContact CB-CB 4.07Å; W116-F197 HydrophobicContact CB-CD2 3.84Å; W116-F197 HydrophobicContact CB-CG 4.46Å; W116-F197 HydrophobicContact CD2-CD2 4.18Å; W116-F197 HydrophobicContact CE3-CD2 4.06Å; W116-F197 HydrophobicContact CE3-CE2 4.36Å; W116-F197 HydrophobicContact CG-CD2 4.11Å; W116-F197 PolarHBondContact N-O 3.42Å; W116-F197 PolarHBondContact O-N 3.22Å; F157-F197 HydrophobicContact CB-CD2 3.88Å; F157-F197 HydrophobicContact CB-CE2 3.82Å; F157-F197 HydrophobicContact CD1-CD2 4.4Å; F157-F197 HydrophobicContact CD2-CD2 4.12Å; F157-F197 HydrophobicContact CE2-CB 4.44Å; F157-F197 AromaticContact CG-CD2 3.89Å; F157-F197 HydrophobicContact CG-CD2 3.89Å; F157-F197 HydrophobicContact CG-CE2 4.29Å; F157-F197 HydrophobicContact CG-CG 4.46Å; V160-F197 HydrophobicContact CB-CZ 4.34Å; V160-F197 HydrophobicContact CG1-CE1 3.88Å; V160-F197 HydrophobicContact CG1-CZ 3.86Å; L161-F197 HydrophobicContact CD2-CE2 3.61Å; L161-F197 HydrophobicContact CD2-CZ 3.76Å; L161-F197 HydrophobicContact CG-CE2 3.91Å; L161-F197 HydrophobicContact CG-CZ 4.16Å; I169-F197 HydrophobicContact CD1-CE1 4.02Å; I182-F197 HydrophobicContact CD1-CB 4.39Å; I182-F197 HydrophobicContact CD1-CD1 3.92Å; I182-F197 HydrophobicContact CD1-CE1 4.46Å; I182-F197 HydrophobicContact CD1-CG 4.25Å; I182-F197 HydrophobicContact CG1-CD1 4.33Å; D183-F197 WeakPolarHBondContact O-CA 3.4Å; R184-F197 HydrophobicContact CB-CD1 3.89Å; R184-F197 HydrophobicContact CB-CE1 3.62Å; R184-F197 HydrophobicContact CG-CD1 4.21Å; R184-F197 HydrophobicContact CG-CE1 3.71Å; R184-F197 HydrophobicContact CG-CZ 4.31Å
198K93.5Very high86.1Confident30 Ų3051.5 Ų51.513%0.1327%0.271CS..EExtended strand (participates in β ladder)trans-106.3136.4177.6-77.9172.3162.7-136.50109.5D112 I114 I182 D183 Q185 I196D112-K198 WeakPolarHBondContact OD1-CD 3.07Å; D112-K198 WeakPolarHBondContact OD1-CE 3.44Å; D112-K198 IonicContact OD1-NZ 3.11Å; D112-K198 PolarHBondContact OD1-NZ 2.72Å; D112-K198 IonicContact OD2-NZ 3.61Å; D112-K198 PolarHBondContact OD2-NZ 3.44Å; I114-K198 HydrophobicContact CG1-CG 3.96Å; I182-K198 CarbonylContact C-O 3.55Å; I182-K198 WeakPolarHBondContact CA-O 3.38Å; I182-K198 WeakPolarHBondContact CB-O 3.34Å; D183-K198 PolarHBondContact N-O 2.96Å; D183-K198 PolarHBondContact O-N 3.06Å; Q185-K198 HydrophobicContact CG-CD 4.39Å; Q185-K198 VanDerWaalsContact OE1-CD 3.32Å; Q185-K198 VanDerWaalsContact OE1-CE 3.31Å; I196-K198 HydrophobicContact CD1-CD 4.13Å; I196-K198 HydrophobicContact CD1-CG 4.2Å
199L94.5Very high86.1Confident0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-79.2122.1172.4179.267.5000109.6F38 M111 F113 L115 L180 I182 S201 I202F38-L199 HydrophobicContact CE1-CD2 4.05Å; F38-L199 HydrophobicContact CZ-CD2 3.81Å; M111-L199 CarbonylContact C-O 3.49Å; M111-L199 VanDerWaalsContact C-O 3.27Å; F113-L199 HydrophobicContact CB-CB 4.29Å; F113-L199 PolarHBondContact N-O 3.22Å; F113-L199 WeakPolarHBondContact O-CB 3.24Å; F113-L199 PolarHBondContact O-N 3Å; L115-L199 HydrophobicContact CD1-CB 3.86Å; L115-L199 HydrophobicContact CD1-CD1 4.24Å; L115-L199 HydrophobicContact CD1-CG 4.46Å; L115-L199 HydrophobicContact CG-CB 4.07Å; L180-L199 HydrophobicContact CB-CD1 3.75Å; L180-L199 HydrophobicContact CD2-CD1 3.88Å; L180-L199 HydrophobicContact CG-CD1 4.27Å; I182-L199 HydrophobicContact CG2-CD1 4.45Å; L199-S201 WeakPolarHBondContact CD1-O 3.46Å; L199-I202 HydrophobicContact CD1-CG1 4.11Å; L199-I202 HydrophobicContact CD2-CD1 3.99Å; L199-I202 HydrophobicContact CD2-CG1 3.94Å; L199-I202 HydrophobicContact CG-CG1 4.42Å
200C92Very high86.8Confident38 Ų3849.5 Ų49.526%0.25726%0.258SS..EExtended strand (participates in β ladder)trans-105.6-29.8-177.8-52.50000112.6M111 F181 D183M111-C200 WeakPolarHBondContact CB-O 3.49Å; F181-C200 PolarHBondContact O-N 3.46Å; D183-C200 PolarHBondContact OD2-SG 3.25Å
201S93.1Very high87.2Confident23 Ų2342.6 Ų42.616%0.16121%0.213CC..EExtended strand (participates in β ladder)trans-162.2160.9170.868.90000111.7A94 F181 L199A94-S201 WeakPolarHBondContact O-CB 3.37Å; F181-S201 VanDerWaalsContact CB-OG 3.3Å; F181-S201 WeakPolarHBondContact CB-OG 3.49Å; F181-S201 VanDerWaalsContact CD2-OG 3.22Å; F181-S201 WeakPolarHBondContact CD2-OG 3.15Å; F181-S201 WeakPolarHBondContact CG-OG 3.35Å; F181-S201 PolarHBondContact N-O 3.35Å; F181-S201 PolarHBondContact O-N 3.45Å; L199-S201 WeakPolarHBondContact CD1-O 3.46Å
202I95.6Very high87.3Confident0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-115.6140.6171-57.9-171.8000108.8I36 A94 M111 I124 V178 F179 L180 L199 L204I36-I202 HydrophobicContact CD1-CD1 3.69Å; I36-I202 HydrophobicContact CD1-CG1 4.34Å; I36-I202 HydrophobicContact CG1-CD1 4.03Å; I36-I202 HydrophobicContact CG2-CD1 3.8Å; A94-I202 PolarHBondContact N-O 3.22Å; A94-I202 PolarHBondContact O-N 3.08Å; M111-I202 HydrophobicContact SD-CG1 4.16Å; I124-I202 HydrophobicContact CG2-CD1 4.35Å; V178-I202 HydrophobicContact CG1-CG2 4.09Å; F179-I202 WeakPolarHBondContact O-CA 3.1Å; L180-I202 HydrophobicContact CD2-CD1 4.07Å; L180-I202 HydrophobicContact CD2-CG1 3.87Å; L180-I202 HydrophobicContact CD2-CG2 4.39Å; L199-I202 HydrophobicContact CD1-CG1 4.11Å; L199-I202 HydrophobicContact CD2-CD1 3.99Å; L199-I202 HydrophobicContact CD2-CG1 3.94Å; L199-I202 HydrophobicContact CG-CG1 4.42Å; I202-L204 HydrophobicContact CG2-CD2 3.97Å
203C93.5Very high88Confident1 Ų132.6 Ų32.61%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-123.7127.1168-177.90000109.7L92 H93 F179 F181L92-C203 WeakPolarHBondContact O-CA 3.44Å; H93-C203 VanDerWaalsContact CE1-SG 3.5Å; F179-C203 HydrophobicContact CB-CB 4.21Å; F179-C203 PolarHBondContact N-O 2.67Å; F179-C203 PolarHBondContact O-N 3.45Å; F181-C203 HydrophobicContact CE2-CB 3.7Å
204L95.1Very high88.8Confident0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-96.6137171.6-53.2-173.8000110.2M34 Q91 L92 C126 L128 F146 S177 V178 I202M34-L204 HydrophobicContact SD-CD1 3.32Å; M34-L204 WeakPolarHBondContact SD-CD1 3.44Å; M34-L204 HydrophobicContact SD-CG 3.84Å; Q91-L204 CarbonylContact C-O 3.57Å; Q91-L204 WeakPolarHBondContact CA-O 3.33Å; L92-L204 HydrophobicContact CB-CB 4.23Å; L92-L204 PolarHBondContact N-O 3.49Å; L92-L204 PolarHBondContact O-N 3.49Å; C126-L204 HydrophobicContact CB-CD1 3.99Å; C126-L204 HydrophobicContact CB-CD2 3.85Å; C126-L204 HydrophobicContact CB-CG 4.48Å; L128-L204 HydrophobicContact CB-CD1 4.31Å; F146-L204 HydrophobicContact CB-CD1 4.41Å; F146-L204 HydrophobicContact CB-CD2 4.08Å; F146-L204 HydrophobicContact CD1-CB 4.12Å; F146-L204 HydrophobicContact CD1-CD1 4.01Å; F146-L204 HydrophobicContact CD1-CD2 3.85Å; F146-L204 HydrophobicContact CD1-CG 4.23Å; F146-L204 HydrophobicContact CD2-CD1 3.8Å; F146-L204 HydrophobicContact CE1-CB 3.89Å; F146-L204 HydrophobicContact CE1-CD1 4.15Å; F146-L204 HydrophobicContact CE1-CD2 4.48Å; F146-L204 HydrophobicContact CE1-CG 4.42Å; F146-L204 HydrophobicContact CE2-CD1 3.95Å; F146-L204 HydrophobicContact CG-CD1 3.81Å; F146-L204 HydrophobicContact CG-CD2 4.02Å; F146-L204 HydrophobicContact CG-CG 4.42Å; F146-L204 HydrophobicContact CZ-CB 4.31Å; F146-L204 HydrophobicContact CZ-CD1 4.1Å; S177-L204 WeakPolarHBondContact O-CA 3.31Å; V178-L204 HydrophobicContact CB-CD2 4.37Å; V178-L204 HydrophobicContact CG1-CD2 4.14Å; V178-L204 HydrophobicContact CG2-CD2 3.96Å; I202-L204 HydrophobicContact CG2-CD2 3.97Å
205Y91.1Very high89.2Confident44 Ų4428.1 Ų28.117%0.17315%0.145CC..EExtended strand (participates in β ladder)trans-102.9120.2170.9-86.737.3000108.6Y63 V89 Q91 S177 F179Y63-Y205 VanDerWaalsContact OH-CZ 3.26Å; Y63-Y205 PolarHBondContact OH-OH 2.93Å; Y63-Y205 VanDerWaalsContact OH-OH 3.12Å; V89-Y205 HydrophobicContact CG1-CD2 3.84Å; V89-Y205 HydrophobicContact CG1-CG 3.85Å; Q91-Y205 HydrophobicContact CB-CE1 4.42Å; Q91-Y205 HydrophobicContact CG-CD1 4.02Å; Q91-Y205 HydrophobicContact CG-CE1 3.55Å; Q91-Y205 VanDerWaalsContact NE2-CZ 3.33Å; Q91-Y205 PolarHBondContact NE2-OH 3.45Å; S177-Y205 PolarHBondContact O-N 2.96Å; F179-Y205 AromaticContact CD2-CD1 3.57Å; F179-Y205 HydrophobicContact CD2-CD1 3.57Å; F179-Y205 AromaticContact CD2-CE1 3.74Å; F179-Y205 HydrophobicContact CD2-CE1 3.74Å; F179-Y205 HydrophobicContact CD2-CG 4Å; F179-Y205 AromaticContact CE2-CD1 3.45Å; F179-Y205 HydrophobicContact CE2-CD1 3.45Å; F179-Y205 VanDerWaalsContact CE2-CD1 3.45Å; F179-Y205 AromaticContact CE2-CD2 3.62Å; F179-Y205 HydrophobicContact CE2-CD2 3.62Å; F179-Y205 AromaticContact CE2-CE1 3.67Å; F179-Y205 HydrophobicContact CE2-CE1 3.67Å; F179-Y205 AromaticContact CE2-CE2 3.86Å; F179-Y205 HydrophobicContact CE2-CE2 3.86Å; F179-Y205 AromaticContact CE2-CG 3.42Å; F179-Y205 HydrophobicContact CE2-CG 3.42Å; F179-Y205 VanDerWaalsContact CE2-CG 3.42Å; F179-Y205 AromaticContact CE2-CZ 3.86Å; F179-Y205 HydrophobicContact CG-CE1 4.43Å; F179-Y205 HydrophobicContact CZ-CD1 4.42Å; F179-Y205 HydrophobicContact CZ-CD2 4.05Å; F179-Y205 HydrophobicContact CZ-CE1 4.29Å; F179-Y205 AromaticContact CZ-CE2 3.94Å; F179-Y205 HydrophobicContact CZ-CE2 3.94Å; F179-Y205 HydrophobicContact CZ-CG 4.3Å
206L89.9Confident89.4Confident1 Ų133.4 Ų33.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-129.3125.9179.1-178.475.1000110.1V89 V90 L92 L128 V142 A144 F146 Q208 Q210 L211V89-L206 WeakPolarHBondContact CA-O 3.38Å; V90-L206 HydrophobicContact CG1-CB 3.94Å; V90-L206 HydrophobicContact CG1-CD2 4.38Å; V90-L206 VanDerWaalsContact CG1-O 3.28Å; V90-L206 WeakPolarHBondContact CG1-O 3.43Å; V90-L206 PolarHBondContact N-O 3.4Å; V90-L206 PolarHBondContact O-N 3.47Å; L92-L206 HydrophobicContact CD1-CB 4.46Å; L92-L206 HydrophobicContact CD1-CD2 4.48Å; L128-L206 HydrophobicContact CD2-CD2 3.99Å; V142-L206 HydrophobicContact CG1-CD1 4.1Å; V142-L206 HydrophobicContact CG1-CD2 3.91Å; A144-L206 HydrophobicContact CB-CD1 3.57Å; F146-L206 HydrophobicContact CZ-CB 4.31Å; F146-L206 HydrophobicContact CZ-CD1 3.87Å; L206-Q208 PolarHBondContact O-N 2.97Å; L206-Q210 HydrophobicContact CD1-CB 3.75Å; L206-Q210 HydrophobicContact CG-CB 4.17Å; L206-L211 HydrophobicContact CD2-CD2 3.6Å; L206-L211 HydrophobicContact CD2-CG 4.08Å
207P85.4Confident89.5Confident36 Ų3634.3 Ų34.323%0.23419%0.189CC..EExtended strand (participates in β ladder)trans-56.6131.7169.3-24.334000111.1D88 E209 Q210D88-P207 CarbonylContact O-C 3.53Å; D88-P207 WeakPolarHBondContact O-CA 3.49Å; P207-E209 HydrophobicContact CB-CG 4.33Å; P207-E209 PolarHBondContact O-N 3.43Å; P207-E209 VanDerWaalsContact O-N 3.1Å; P207-Q210 HydrophobicContact CB-CG 4.32Å; P207-Q210 WeakPolarHBondContact O-CB 3.39Å; P207-Q210 PolarHBondContact O-N 3.28Å
208Q79.1Confident89.4Confident20 Ų2037.3 Ų37.39%0.09321%0.207CC..G310 helixtrans-52.9-39.1-175.4-79-159.932.500112.7L26 M59 D88 L206 Q210 L211L26-Q208 VanDerWaalsContact CB-OE1 3.27Å; L26-Q208 HydrophobicContact CD2-CB 4.43Å; L26-Q208 VanDerWaalsContact CD2-O 3.3Å; L26-Q208 WeakPolarHBondContact CD2-O 3.35Å; M59-Q208 HydrophobicContact CE-CG 3.95Å; D88-Q208 VanDerWaalsContact CG-CD 3.47Å; D88-Q208 PolarHBondContact O-N 3.33Å; D88-Q208 PolarHBondContact OD1-NE2 2.82Å; D88-Q208 VanDerWaalsContact OD2-CD 3.24Å; D88-Q208 PolarHBondContact OD2-NE2 2.98Å; L206-Q208 PolarHBondContact O-N 2.97Å; Q208-Q210 PolarHBondContact O-N 3.2Å; Q208-Q210 VanDerWaalsContact O-N 3.17Å; Q208-L211 HydrophobicContact CB-CD1 4.47Å; Q208-L211 WeakPolarHBondContact O-CB 3.2Å; Q208-L211 WeakPolarHBondContact O-CG 3.36Å; Q208-L211 PolarHBondContact O-N 3.27Å
209E75.6Confident89.5Confident104 Ų10436.8 Ų36.849%0.48621%0.206SC..G310 helixtrans-60.2-28.118061.5-180-163.800113.8R16 P207 L211 T212R16-E209 IonicContact NH2-OE2 3.05Å; R16-E209 PolarHBondContact NH2-OE2 2.86Å; P207-E209 HydrophobicContact CB-CG 4.33Å; P207-E209 PolarHBondContact O-N 3.43Å; P207-E209 VanDerWaalsContact O-N 3.1Å; E209-L211 VanDerWaalsContact C-N 3.26Å; E209-L211 PolarHBondContact O-N 3.39Å; E209-T212 PolarHBondContact O-OG1 2.91Å; E209-T212 VanDerWaalsContact O-OG1 3.05Å
210Q86.1Confident89.5Confident59 Ų5942.2 Ų42.228%0.27623%0.231SC..G310 helixtrans-75-12.9177.3-64.6-174.3-15.500113.2L206 P207 Q208 T212 H213L206-Q210 HydrophobicContact CD1-CB 3.75Å; L206-Q210 HydrophobicContact CG-CB 4.17Å; P207-Q210 HydrophobicContact CB-CG 4.32Å; P207-Q210 WeakPolarHBondContact O-CB 3.39Å; P207-Q210 PolarHBondContact O-N 3.28Å; Q208-Q210 PolarHBondContact O-N 3.2Å; Q208-Q210 VanDerWaalsContact O-N 3.17Å; Q210-T212 PolarHBondContact O-N 2.92Å; Q210-T212 VanDerWaalsContact O-N 3.14Å; Q210-H213 PolarHBondContact O-N 3.05Å
211L82.3Confident89.6Confident0 Ų044.8 Ų44.80%024%0.242CC..G310 helixtrans-59.2-25.3174.2-70.9169.7000113L26 A27 F30 F32 V90 L206 Q208 E209L26-L211 HydrophobicContact CB-CD1 4.18Å; L26-L211 HydrophobicContact CD2-CB 4.34Å; L26-L211 HydrophobicContact CD2-CD1 4.27Å; L26-L211 HydrophobicContact CG-CB 4.48Å; L26-L211 HydrophobicContact CG-CD1 4.01Å; A27-L211 HydrophobicContact CB-CD1 4Å; F30-L211 HydrophobicContact CD2-CB 4.29Å; F30-L211 HydrophobicContact CD2-CD1 4.5Å; F30-L211 HydrophobicContact CE2-CB 3.98Å; F30-L211 HydrophobicContact CZ-CB 4.3Å; F32-L211 HydrophobicContact CE1-CD2 3.44Å; F32-L211 VanDerWaalsContact CE1-CD2 3.44Å; F32-L211 HydrophobicContact CZ-CD2 3.57Å; V90-L211 HydrophobicContact CG1-CD1 4.15Å; V90-L211 HydrophobicContact CG1-CD2 4.13Å; V90-L211 HydrophobicContact CG1-CG 4.3Å; L206-L211 HydrophobicContact CD2-CD2 3.6Å; L206-L211 HydrophobicContact CD2-CG 4.08Å; Q208-L211 HydrophobicContact CB-CD1 4.47Å; Q208-L211 WeakPolarHBondContact O-CB 3.2Å; Q208-L211 WeakPolarHBondContact O-CG 3.36Å; Q208-L211 PolarHBondContact O-N 3.27Å; E209-L211 VanDerWaalsContact C-N 3.26Å; E209-L211 PolarHBondContact O-N 3.39Å
212T78.2Confident89.7Confident21 Ų2146.5 Ų46.513%0.12925%0.248CC..G310 helixtrans-95.2-0.3178.7650000113.6L12 L26 F30 W132 E209 Q210L12-T212 HydrophobicContact CD1-CG2 4.13Å; L26-T212 HydrophobicContact CD2-CG2 4.35Å; F30-T212 HydrophobicContact CZ-CG2 4.04Å; W132-T212 HydrophobicContact CH2-CG2 4.39Å; E209-T212 PolarHBondContact O-OG1 2.91Å; E209-T212 VanDerWaalsContact O-OG1 3.05Å; Q210-T212 PolarHBondContact O-N 2.92Å; Q210-T212 VanDerWaalsContact O-N 3.14Å
213H88.5Confident89.7Confident82 Ų8246.7 Ų46.738%0.3825%0.249SC..  trans-99.7106.2-179.3-61.2163.3000109.4Q143 Q210Q143-H213 HydrophobicContact CB-CB 4.1Å; Q143-H213 WeakPolarHBondContact CB-O 3.43Å; Q143-H213 PolarHBondContact N-O 2.62Å; Q210-H213 PolarHBondContact O-N 3.05Å
214W92.3Very high89.7Confident61 Ų6156.2 Ų56.223%0.23129%0.285CS..BIsolated β-bridgetrans-105.4137.4176.2-62.9-62.4000111.7F30 S130 W132 R140 P141F30-W214 HydrophobicContact CD1-CZ2 4.24Å; F30-W214 HydrophobicContact CE1-CH2 4.14Å; F30-W214 AromaticContact CE1-CZ2 3.64Å; F30-W214 HydrophobicContact CE1-CZ2 3.64Å; S130-W214 PolarHBondContact O-NE1 3.47Å; S130-W214 PolarHBondContact OG-NE1 3.05Å; W132-W214 AromaticContact CD1-CH2 3.89Å; W132-W214 AromaticContact CE2-CH2 3.91Å; W132-W214 HydrophobicContact CZ2-CH2 4.36Å; W132-W214 AromaticContact NE1-CH2 3.4Å; R140-W214 HydrophobicContact CB-CB 3.93Å; R140-W214 HydrophobicContact CB-CD2 4.34Å; R140-W214 HydrophobicContact CB-CG 3.67Å; P141-W214 CarbonylContact O-C 3.58Å; P141-W214 VanDerWaalsContact O-CA 3.24Å; P141-W214 WeakPolarHBondContact O-CA 3.02Å
215A93.7Very high89.5Confident33 Ų3360.8 Ų60.827%0.27331%0.314SS..  trans-7917116600000110.9P141 Q143P141-A215 HydrophobicContact CB-CB 4.3Å; P141-A215 HydrophobicContact CG-CB 3.89Å; P141-A215 WeakPolarHBondContact CG-O 3.23Å; P141-A215 PolarHBondContact O-N 2.84Å; Q143-A215 HydrophobicContact CB-CB 4.43Å; Q143-A215 HydrophobicContact CG-CB 4.48Å
216V92.4Very high89.6Confident138 Ų13860.6 Ų60.684%0.83631%0.313SS*.SBendtrans-86.1150.5176.2-178.10000109.9H222V216-H222 PolarHBondContact O-NE2 3.49Å
217G92.8Very high89.4Confident29 Ų2964.7 Ų64.730%0.29933%0.334SS..SBendtrans111.7163.417600000113.1P141 D221P141-G217 WeakPolarHBondContact CD-O 3.26Å; G217-D221 WeakPolarHBondContact CA-OD2 3.27Å
218T93.6Very high88.8Confident63 Ų6364.3 Ų64.339%0.38733%0.331SS..  trans-89.4174.9176.576.90000111.6E220 D221 H222T218-E220 WeakPolarHBondContact CB-OE2 3.35Å; T218-E220 PolarHBondContact O-N 3.01Å; T218-E220 PolarHBondContact OG1-N 3.36Å; T218-E220 PolarHBondContact OG1-OE2 3.03Å; T218-D221 PolarHBondContact N-OD2 3.33Å; T218-D221 PolarHBondContact O-N 2.89Å; T218-D221 PolarHBondContact OG1-N 2.96Å; T218-H222 PolarHBondContact O-CD2 2.86Å; T218-H222 VanDerWaalsContact O-CD2 3.26Å; T218-H222 PolarHBondContact O-N 2.64Å
219I95.3Very high88.1Confident19 Ų1973.3 Ų73.310%0.09737%0.373CS..Hα-helixtrans-55.4-46170.8-74172.7000110.2K33 Y35 F129 F139 D221 H222 L223K33-I219 HydrophobicContact CD-CD1 3.85Å; Y35-I219 HydrophobicContact CE2-CG2 3.76Å; Y35-I219 WeakPolarHBondContact OH-CG2 3.38Å; F129-I219 HydrophobicContact CD1-CG1 3.62Å; F129-I219 HydrophobicContact CD2-CG1 4.4Å; F129-I219 HydrophobicContact CE1-CB 4.24Å; F129-I219 HydrophobicContact CE1-CG1 3.73Å; F129-I219 HydrophobicContact CE2-CG1 4.48Å; F129-I219 HydrophobicContact CG-CG1 4Å; F129-I219 HydrophobicContact CZ-CB 4.44Å; F129-I219 HydrophobicContact CZ-CG1 4.17Å; F139-I219 HydrophobicContact CB-CD1 3.74Å; F139-I219 HydrophobicContact CB-CG1 4.34Å; F139-I219 HydrophobicContact CG-CD1 4.47Å; I219-D221 VanDerWaalsContact C-N 3.34Å; I219-D221 PolarHBondContact O-N 3.24Å; I219-H222 PolarHBondContact O-N 3.01Å; I219-L223 HydrophobicContact CG2-CD1 3.42Å; I219-L223 VanDerWaalsContact CG2-CD1 3.42Å; I219-L223 HydrophobicContact CG2-CG 3.93Å; I219-L223 WeakPolarHBondContact O-CB 3.39Å; I219-L223 VanDerWaalsContact O-CG 3.3Å; I219-L223 WeakPolarHBondContact O-CG 3.32Å; I219-L223 PolarHBondContact O-N 3.31Å
220E94.2Very high88.7Confident114 Ų11471.8 Ų71.853%0.53337%0.368SS..Hα-helixtrans-61.9-42.3-176.4-61.270.1-151.100111.5T218 H222 L223 R224T218-E220 WeakPolarHBondContact CB-OE2 3.35Å; T218-E220 PolarHBondContact O-N 3.01Å; T218-E220 PolarHBondContact OG1-N 3.36Å; T218-E220 PolarHBondContact OG1-OE2 3.03Å; E220-H222 VanDerWaalsContact C-N 3.26Å; E220-H222 PolarHBondContact O-N 2.82Å; E220-L223 PolarHBondContact O-N 3.05Å; E220-R224 WeakPolarHBondContact O-CB 3.46Å; E220-R224 PolarHBondContact O-N 2.87Å
221D94.7Very high88.8Confident92 Ų9272.4 Ų72.449%0.49237%0.372SS..Hα-helixtrans-57.2-41.9177.1-66.6-33.8000111.8G217 T218 I219G217-D221 WeakPolarHBondContact CA-OD2 3.27Å; T218-D221 PolarHBondContact N-OD2 3.33Å; T218-D221 PolarHBondContact O-N 2.89Å; T218-D221 PolarHBondContact OG1-N 2.96Å; I219-D221 VanDerWaalsContact C-N 3.34Å; I219-D221 PolarHBondContact O-N 3.24Å
222H94.9Very high89.2Confident60 Ų6076.4 Ų76.428%0.27839%0.393SS..Hα-helixtrans-82.7-26-177.6-77.3-94.9000113.3F129 V216 T218 I219 E220 P225 Y226F129-H222 HydrophobicContact CE1-CB 4.1Å; F129-H222 HydrophobicContact CZ-CB 3.78Å; V216-H222 PolarHBondContact O-NE2 3.49Å; T218-H222 PolarHBondContact O-CD2 2.86Å; T218-H222 VanDerWaalsContact O-CD2 3.26Å; T218-H222 PolarHBondContact O-N 2.64Å; I219-H222 PolarHBondContact O-N 3.01Å; E220-H222 VanDerWaalsContact C-N 3.26Å; E220-H222 PolarHBondContact O-N 2.82Å; H222-P225 WeakPolarHBondContact O-CD 3.38Å; H222-Y226 WeakPolarHBondContact O-CD2 3.49Å; H222-Y226 WeakPolarHBondContact O-CE2 3.43Å
223L94.9Very high89.8Confident3 Ų379.7 Ų79.72%0.01641%0.409CS..Hα-helixtrans-82.5-25.6174.5-66.9179.9000113.1Y35 L49 L127 I219 E220 P225 Y226 M227Y35-L223 HydrophobicContact CD1-CD1 4Å; Y35-L223 HydrophobicContact CD1-CD2 3.87Å; Y35-L223 HydrophobicContact CD2-CD1 4.34Å; Y35-L223 HydrophobicContact CD2-CD2 3.81Å; Y35-L223 HydrophobicContact CD2-CG 4.5Å; Y35-L223 HydrophobicContact CE1-CD1 3.72Å; Y35-L223 HydrophobicContact CE1-CD2 4.41Å; Y35-L223 HydrophobicContact CE2-CD1 4.05Å; Y35-L223 HydrophobicContact CE2-CD2 4.34Å; Y35-L223 HydrophobicContact CG-CD1 4.28Å; Y35-L223 HydrophobicContact CG-CD2 3.52Å; Y35-L223 HydrophobicContact CG-CG 4.49Å; L49-L223 HydrophobicContact CD1-CD2 4.13Å; L49-L223 HydrophobicContact CD2-CD2 4.18Å; L127-L223 HydrophobicContact CD1-CD2 3.53Å; I219-L223 HydrophobicContact CG2-CD1 3.42Å; I219-L223 VanDerWaalsContact CG2-CD1 3.42Å; I219-L223 HydrophobicContact CG2-CG 3.93Å; I219-L223 WeakPolarHBondContact O-CB 3.39Å; I219-L223 VanDerWaalsContact O-CG 3.3Å; I219-L223 WeakPolarHBondContact O-CG 3.32Å; I219-L223 PolarHBondContact O-N 3.31Å; E220-L223 PolarHBondContact O-N 3.05Å; L223-P225 VanDerWaalsContact C-N 3.3Å; L223-P225 VanDerWaalsContact O-N 3.14Å; L223-Y226 CarbonylContact O-C 3.59Å; L223-Y226 WeakPolarHBondContact O-CA 3.44Å; L223-Y226 PolarHBondContact O-N 2.87Å; L223-M227 HydrophobicContact CB-CE 4.19Å; L223-M227 HydrophobicContact CB-CG 4.3Å; L223-M227 HydrophobicContact CD1-CE 4.3Å; L223-M227 PolarHBondContact O-N 3.06Å
224R93Very high89.9Confident201 Ų20179.6 Ų79.676%0.75841%0.41SS*.G310 helixtrans-48.1-41.6-175.8-172.5177.6-176.9176.41.6114.4E220 Y226E220-R224 WeakPolarHBondContact O-CB 3.46Å; E220-R224 PolarHBondContact O-N 2.87Å; R224-Y226 PolarHBondContact O-N 2.88Å
225P91.9Very high89.8Confident96 Ų9680.8 Ų80.862%0.62342%0.422SS*.G310 helixtrans-65.5-16.8177.5-21.334.8000114.6H222 L223H222-P225 WeakPolarHBondContact O-CD 3.38Å; L223-P225 VanDerWaalsContact C-N 3.3Å; L223-P225 VanDerWaalsContact O-N 3.14Å
226Y93.2Very high89.5Confident40 Ų4084.2 Ų84.216%0.15743%0.433CS..G310 helixtrans-115.7-7.4-172.9-49.4-73.6000113.5A37 V39 V125 L127 H222 L223 R224A37-Y226 HydrophobicContact CB-CD1 3.67Å; A37-Y226 HydrophobicContact CB-CE1 4.33Å; A37-Y226 HydrophobicContact CB-CG 3.8Å; V39-Y226 HydrophobicContact CG2-CD1 3.94Å; V39-Y226 HydrophobicContact CG2-CE1 3.83Å; V125-Y226 HydrophobicContact CB-CE1 4.42Å; V125-Y226 HydrophobicContact CG2-CE1 4.23Å; L127-Y226 HydrophobicContact CD1-CD2 3.78Å; L127-Y226 HydrophobicContact CD1-CE2 3.84Å; L127-Y226 HydrophobicContact CD2-CE2 4.17Å; L127-Y226 HydrophobicContact CG-CE2 4.47Å; H222-Y226 WeakPolarHBondContact O-CD2 3.49Å; H222-Y226 WeakPolarHBondContact O-CE2 3.43Å; L223-Y226 CarbonylContact O-C 3.59Å; L223-Y226 WeakPolarHBondContact O-CA 3.44Å; L223-Y226 PolarHBondContact O-N 2.87Å; R224-Y226 PolarHBondContact O-N 2.88Å
227M86.5Confident89.3Confident87 Ų8780.1 Ų80.143%0.42940%0.402SS..  trans-65.7130.7-176.7-83.5-163.5162.900111.9L49 L223 E229L49-M227 HydrophobicContact CD2-CG 4.21Å; L223-M227 HydrophobicContact CB-CE 4.19Å; L223-M227 HydrophobicContact CB-CG 4.3Å; L223-M227 HydrophobicContact CD1-CE 4.3Å; L223-M227 PolarHBondContact O-N 3.06Å; M227-E229 PolarHBondContact O-N 3.36Å
228P72Confident89Confident28 Ų2884.3 Ų84.318%0.18241%0.411CS..  trans-78.9107.3167.530.5-29.1000108.9R101R101-P228 HydrophobicContact CG-CB 4.06Å; R101-P228 HydrophobicContact CG-CG 3.71Å
229E63.3Low88.5Confident209 Ų20986.3 Ų86.398%0.97741%0.413SS*.  trans-640165.2-21155.8130.900111.3K46 M227K46-E229 VanDerWaalsContact NZ-N 3.19Å; K46-E229 PolarHBondContact NZ-O 3.36Å; K46-E229 IonicContact NZ-OE2 3.19Å; K46-E229 PolarHBondContact NZ-OE2 3.11Å; M227-E229 PolarHBondContact O-N 3.36Å

Retrieved 229 of 229 residues in 47.1 ms (Link to these results)

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