A0A077Z6G8_TRITR Loading...

AsmA domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6G8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 569 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
1M55.2Low81.8Confident222 Ų222127.5 Ų127.5100%1.09462%0.622SS**  0-40.90-62.4-177.2-172.200114F3 G5M1-F3 PolarHBondContact O-N 3.43Å; M1-G5 PolarHBondContact O-N 3.36Å
2K72.5Confident82.6Confident187 Ų187124.8 Ų124.881%0.81361%0.612SS**Hα-helixtrans-64.1-28.8-179.4-72.8-177.3177178.80116.2K6K2-K6 WeakPolarHBondContact O-CG 3.49Å; K2-K6 PolarHBondContact O-N 3.47Å
3F79Confident83.3Confident173 Ų173121.5 Ų121.576%0.75960%0.597SS**Hα-helixtrans-75.8-44.2-178.5-164-96.7000112.9M1 G5 K6 L7M1-F3 PolarHBondContact O-N 3.43Å; F3-G5 PolarHBondContact O-N 3.4Å; F3-K6 PolarHBondContact O-N 3.03Å; F3-L7 PolarHBondContact O-N 2.93Å
4I79.8Confident83.8Confident112 Ų112117.1 Ų117.157%0.57459%0.59SS**Hα-helixtrans-62.3-42.6176.8-66.3164.7000110.9K6 L7 L8I4-K6 PolarHBondContact O-N 3.44Å; I4-L7 PolarHBondContact O-N 3.28Å; I4-L8 HydrophobicContact CG2-CD1 3.93Å; I4-L8 HydrophobicContact CG2-CG 4.34Å; I4-L8 WeakPolarHBondContact O-CG 3.34Å; I4-L8 PolarHBondContact O-N 2.88Å
5G82.1Confident84.4Confident42 Ų42115.7 Ų115.743%0.43358%0.584SS.*Hα-helixtrans-61.5-39.8177.300000113.4M1 F3 L9M1-G5 PolarHBondContact O-N 3.36Å; F3-G5 PolarHBondContact O-N 3.4Å; G5-L9 WeakPolarHBondContact O-CB 3.41Å; G5-L9 PolarHBondContact O-N 2.88Å
6K84.5Confident84.8Confident126 Ų126114.8 Ų114.855%0.54858%0.58SS.*Hα-helixtrans-67-42.9174.5-74.2-175.9179.8-171.90112.1K2 F3 I4 L9 Y10K2-K6 WeakPolarHBondContact O-CG 3.49Å; K2-K6 PolarHBondContact O-N 3.47Å; F3-K6 PolarHBondContact O-N 3.03Å; I4-K6 PolarHBondContact O-N 3.44Å; K6-L9 PolarHBondContact O-N 3.44Å; K6-Y10 HydrophobicContact CB-CD2 4.44Å; K6-Y10 HydrophobicContact CB-CE2 4.07Å; K6-Y10 WeakPolarHBondContact O-CD2 3.36Å; K6-Y10 PolarHBondContact O-N 3.3Å
7L87.4Confident85.1Confident94 Ų94113.8 Ų113.849%0.49258%0.582SS.*Hα-helixtrans-61.6-47.2177.7-175.469.8000111.5F3 I4 L9 Y10 I11F3-L7 PolarHBondContact O-N 2.93Å; I4-L7 PolarHBondContact O-N 3.28Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.91Å; L7-Y10 PolarHBondContact O-N 3.04Å; L7-I11 HydrophobicContact CD1-CD1 4.48Å; L7-I11 HydrophobicContact CG-CD1 4.02Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.29Å; L7-I11 PolarHBondContact O-N 2.87Å
8L88.8Confident85.3Confident109 Ų109110.4 Ų110.457%0.57157%0.573SS**Hα-helixtrans-61-40.3175.9-72172.8000111.9I4 I11 L12I4-L8 HydrophobicContact CG2-CD1 3.93Å; I4-L8 HydrophobicContact CG2-CG 4.34Å; I4-L8 WeakPolarHBondContact O-CG 3.34Å; I4-L8 PolarHBondContact O-N 2.88Å; L8-I11 PolarHBondContact O-N 3.43Å; L8-L12 WeakPolarHBondContact O-CB 3.02Å; L8-L12 PolarHBondContact O-N 3.3Å
9L89.4Confident85.4Confident94 Ų94109.6 Ų109.649%0.49257%0.569SS.*Hα-helixtrans-64.2-43.5175-177.666.7000112G5 K6 L7 L12 I13G5-L9 WeakPolarHBondContact O-CB 3.41Å; G5-L9 PolarHBondContact O-N 2.88Å; K6-L9 PolarHBondContact O-N 3.44Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.5Å; L9-I13 HydrophobicContact CD1-CD1 4.22Å; L9-I13 HydrophobicContact CD1-CG1 4.44Å; L9-I13 HydrophobicContact CG-CD1 3.94Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.32Å
10Y90.7Very high85.4Confident152 Ų152106.3 Ų106.360%0.59656%0.558SS**Hα-helixtrans-64.8-40.1176.6-69.2-50.1000112.2K6 L7 I13 A14K6-Y10 HydrophobicContact CB-CD2 4.44Å; K6-Y10 HydrophobicContact CB-CE2 4.07Å; K6-Y10 WeakPolarHBondContact O-CD2 3.36Å; K6-Y10 PolarHBondContact O-N 3.3Å; L7-Y10 PolarHBondContact O-N 3.04Å; Y10-I13 PolarHBondContact O-N 3.29Å; Y10-A14 VanDerWaalsContact O-CB 3.28Å; Y10-A14 WeakPolarHBondContact O-CB 3.37Å; Y10-A14 PolarHBondContact O-N 3.24Å
11I90.7Very high85.5Confident91 Ų91102.8 Ų102.847%0.46755%0.548SS..Hα-helixtrans-62.2-45.3173.7-68.4167.1000110L7 L8 I13 A14 L15L7-I11 HydrophobicContact CD1-CD1 4.48Å; L7-I11 HydrophobicContact CG-CD1 4.02Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.29Å; L7-I11 PolarHBondContact O-N 2.87Å; L8-I11 PolarHBondContact O-N 3.43Å; I11-I13 PolarHBondContact O-N 2.87Å; I11-A14 PolarHBondContact O-N 3.37Å; I11-L15 VanDerWaalsContact O-CB 3.24Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 PolarHBondContact O-N 2.87Å
12L91.5Very high86.9Confident96 Ų9697 Ų9750%0.50352%0.521SS..Hα-helixtrans-61-45.6177.7-176.870.2000111.8L8 L9 L15 L16L8-L12 WeakPolarHBondContact O-CB 3.02Å; L8-L12 PolarHBondContact O-N 3.3Å; L9-L12 PolarHBondContact O-N 3.5Å; L12-L15 PolarHBondContact O-N 3.43Å; L12-L16 HydrophobicContact CG-CD1 4.33Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 2.88Å
13I91.1Very high87.5Confident81 Ų8190.5 Ų90.542%0.41549%0.491SS..Hα-helixtrans-63.8-45.9177.3-68.6167.7000110.5L9 Y10 I11 L15 L16 V17L9-I13 HydrophobicContact CD1-CD1 4.22Å; L9-I13 HydrophobicContact CD1-CG1 4.44Å; L9-I13 HydrophobicContact CG-CD1 3.94Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.32Å; Y10-I13 PolarHBondContact O-N 3.29Å; I11-I13 PolarHBondContact O-N 2.87Å; I13-L15 PolarHBondContact O-N 2.88Å; I13-L16 PolarHBondContact O-N 2.86Å; I13-V17 HydrophobicContact CG2-CG2 4.34Å; I13-V17 WeakPolarHBondContact O-CG2 3.23Å; I13-V17 PolarHBondContact O-N 2.87Å
14A91.4Very high87.8Confident61 Ų6188.5 Ų88.550%0.50448%0.483SS..Hα-helixtrans-59.9-39177.200000111.4Y10 I11 V17 A18Y10-A14 VanDerWaalsContact O-CB 3.28Å; Y10-A14 WeakPolarHBondContact O-CB 3.37Å; Y10-A14 PolarHBondContact O-N 3.24Å; I11-A14 PolarHBondContact O-N 3.37Å; A14-V17 PolarHBondContact O-N 3.21Å; A14-A18 VanDerWaalsContact O-CB 3.3Å; A14-A18 WeakPolarHBondContact O-CB 3.48Å; A14-A18 PolarHBondContact O-N 3.35Å
15L92Very high88.1Confident96 Ų9686.9 Ų86.950%0.50348%0.475SS..Hα-helixtrans-68.7-40.7176.9-164137000111.6I11 L12 I13 A18 I19I11-L15 VanDerWaalsContact O-CB 3.24Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 PolarHBondContact O-N 2.87Å; L12-L15 PolarHBondContact O-N 3.43Å; I13-L15 PolarHBondContact O-N 2.88Å; L15-A18 PolarHBondContact O-N 3.48Å; L15-I19 HydrophobicContact CD2-CD1 3.56Å; L15-I19 HydrophobicContact CD2-CG1 4.42Å; L15-I19 HydrophobicContact CG-CD1 4.5Å; L15-I19 WeakPolarHBondContact O-CB 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.23Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.35Å
16L90.9Very high88.1Confident100 Ų10088.4 Ų88.452%0.52447%0.473SS..Hα-helixtrans-64.4-42173.3-74.8170.8000112.5L12 I13 I19 A20L12-L16 HydrophobicContact CG-CD1 4.33Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 2.88Å; I13-L16 PolarHBondContact O-N 2.86Å; L16-I19 PolarHBondContact O-N 3.03Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 2.87Å
17V90Very high88.2Confident99 Ų9985 Ų8560%0.646%0.458SS*.Hα-helixtrans-65.5-40.2175.4172.10000110.7I13 A14 A20 G21I13-V17 HydrophobicContact CG2-CG2 4.34Å; I13-V17 WeakPolarHBondContact O-CG2 3.23Å; I13-V17 PolarHBondContact O-N 2.87Å; A14-V17 PolarHBondContact O-N 3.21Å; V17-A20 PolarHBondContact O-N 3.1Å; V17-G21 PolarHBondContact O-N 3.29Å
18A88.4Confident88.1Confident52 Ų5283.2 Ų83.243%0.4345%0.452SS..Hα-helixtrans-63.6-42.9174.400000111.8A14 L15 G21 L22A14-A18 VanDerWaalsContact O-CB 3.3Å; A14-A18 WeakPolarHBondContact O-CB 3.48Å; A14-A18 PolarHBondContact O-N 3.35Å; L15-A18 PolarHBondContact O-N 3.48Å; A18-G21 PolarHBondContact O-N 2.98Å; A18-L22 WeakPolarHBondContact O-CB 3.04Å; A18-L22 VanDerWaalsContact O-CG 3.3Å; A18-L22 WeakPolarHBondContact O-CG 3.25Å; A18-L22 PolarHBondContact O-N 3.12Å
19I87Confident88Confident95 Ų9587.5 Ų87.549%0.48746%0.46SS..Hα-helixtrans-61.9-45.4174.5-71.1167.8000110.8L15 L16 L22 Y23L15-I19 HydrophobicContact CD2-CD1 3.56Å; L15-I19 HydrophobicContact CD2-CG1 4.42Å; L15-I19 HydrophobicContact CG-CD1 4.5Å; L15-I19 WeakPolarHBondContact O-CB 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.23Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.35Å; L16-I19 PolarHBondContact O-N 3.03Å; I19-L22 PolarHBondContact O-N 3.08Å; I19-Y23 WeakPolarHBondContact O-CB 3.4Å; I19-Y23 PolarHBondContact O-N 3.03Å
20A85.8Confident87.9Confident43 Ų4389.2 Ų89.236%0.35546%0.46SS..Hα-helixtrans-63.8-42.117700000111.6L16 V17 Y23 F24L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 2.87Å; V17-A20 PolarHBondContact O-N 3.1Å; A20-Y23 WeakPolarHBondContact O-CB 3.3Å; A20-Y23 PolarHBondContact O-N 3.24Å; A20-F24 WeakPolarHBondContact O-CD2 3.31Å; A20-F24 PolarHBondContact O-N 3.36Å
21G86.4Confident87.8Confident33 Ų3382 Ų8234%0.3443%0.432SS..Hα-helixtrans-61.7-45.6175.200000112.3V17 A18 Y23 F24 L25V17-G21 PolarHBondContact O-N 3.29Å; A18-G21 PolarHBondContact O-N 2.98Å; G21-Y23 VanDerWaalsContact C-N 3.35Å; G21-F24 PolarHBondContact O-N 3.38Å; G21-L25 WeakPolarHBondContact O-CB 3.39Å; G21-L25 VanDerWaalsContact O-CG 3.29Å; G21-L25 WeakPolarHBondContact O-CG 3.33Å; G21-L25 PolarHBondContact O-N 2.84Å
22L85.5Confident87.7Confident101 Ų10177.7 Ų77.753%0.52941%0.41SS..Hα-helixtrans-61.1-43.3173.6-75.4168.9000111.4A18 I19 F24 L25 L26A18-L22 WeakPolarHBondContact O-CB 3.04Å; A18-L22 VanDerWaalsContact O-CG 3.3Å; A18-L22 WeakPolarHBondContact O-CG 3.25Å; A18-L22 PolarHBondContact O-N 3.12Å; I19-L22 PolarHBondContact O-N 3.08Å; L22-F24 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 3.35Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 2.8Å
23Y85.8Confident87.7Confident51 Ų5179.4 Ų79.420%0.242%0.416CS..Hα-helixtrans-56.4-48.8175.6172.3-93.8000111.8I19 A20 G21 L26 Q27 H54 F56I19-Y23 WeakPolarHBondContact O-CB 3.4Å; I19-Y23 PolarHBondContact O-N 3.03Å; A20-Y23 WeakPolarHBondContact O-CB 3.3Å; A20-Y23 PolarHBondContact O-N 3.24Å; G21-Y23 VanDerWaalsContact C-N 3.35Å; Y23-L26 PolarHBondContact O-N 2.73Å; Y23-Q27 PolarHBondContact O-N 2.84Å; Y23-Q27 PolarHBondContact OH-NE2 3.09Å; Y23-H54 AromaticContact CE2-ND1 3.39Å; Y23-H54 WeakPolarHBondContact CE2-ND1 3.39Å; Y23-H54 AromaticContact CZ-ND1 3.61Å; Y23-H54 PolarHBondContact OH-ND1 2.93Å; Y23-H54 PolarHBondContact OH-O 3.2Å; Y23-F56 HydrophobicContact CE1-CE2 4.04Å; Y23-F56 HydrophobicContact CE1-CZ 4.02Å; Y23-F56 HydrophobicContact CE2-CZ 4.41Å; Y23-F56 AromaticContact CZ-CZ 3.82Å
24F85.1Confident87.7Confident131 Ų13180.2 Ų80.258%0.57542%0.417SS*.Hα-helixtrans-68.1-38.7177.3-71.6-64000112.5A20 G21 L22 L26 Q27 T28A20-F24 WeakPolarHBondContact O-CD2 3.31Å; A20-F24 PolarHBondContact O-N 3.36Å; G21-F24 PolarHBondContact O-N 3.38Å; L22-F24 PolarHBondContact O-N 3.4Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.04Å; F24-Q27 PolarHBondContact O-N 3.01Å; F24-Q27 VanDerWaalsContact O-N 3.17Å; F24-T28 WeakPolarHBondContact O-CG2 3.32Å
25L85.4Confident87.6Confident78 Ų7879.4 Ų79.441%0.40840%0.404SS..Hα-helixtrans-62.6-39.1176.7-77171.1000112.2G21 L22 Q27 T28 W30 G31G21-L25 WeakPolarHBondContact O-CB 3.39Å; G21-L25 VanDerWaalsContact O-CG 3.29Å; G21-L25 WeakPolarHBondContact O-CG 3.33Å; G21-L25 PolarHBondContact O-N 2.84Å; L22-L25 PolarHBondContact O-N 3.35Å; L25-Q27 PolarHBondContact O-N 3.01Å; L25-T28 PolarHBondContact O-N 2.92Å; L25-T28 PolarHBondContact O-OG1 2.95Å; L25-W30 HydrophobicContact CB-CE3 4.25Å; L25-W30 HydrophobicContact CB-CZ3 4.26Å; L25-W30 HydrophobicContact CD1-CZ3 4.49Å; L25-W30 HydrophobicContact CD2-CE3 4.33Å; L25-G31 WeakPolarHBondContact O-CA 3.43Å; L25-G31 PolarHBondContact O-N 3.11Å
26L83Confident87.6Confident74 Ų7475.3 Ų75.339%0.38738%0.384SS..Hα-helixtrans-60.6-29.6176.2-74.5166.9000112.3L22 Y23 F24 T28 I35L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 2.8Å; Y23-L26 PolarHBondContact O-N 2.73Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.04Å; L26-T28 VanDerWaalsContact C-N 3.3Å; L26-I35 HydrophobicContact CD2-CD1 3.62Å; L26-I35 HydrophobicContact CD2-CG1 4.35Å
27Q85.7Confident87.6Confident53 Ų5372.6 Ų72.625%0.24838%0.376CS..THydrogen-bonded Turntrans-82.5-4.4176.7-61.2-169.94.700114.3Y23 F24 L25 M52 H54Y23-Q27 PolarHBondContact O-N 2.84Å; Y23-Q27 PolarHBondContact OH-NE2 3.09Å; F24-Q27 PolarHBondContact O-N 3.01Å; F24-Q27 VanDerWaalsContact O-N 3.17Å; L25-Q27 PolarHBondContact O-N 3.01Å; Q27-M52 WeakPolarHBondContact CA-O 3.27Å; Q27-M52 WeakPolarHBondContact CB-O 3.24Å; Q27-M52 WeakPolarHBondContact CG-O 3.49Å; Q27-H54 PolarHBondContact NE2-O 2.92Å
28T85.2Confident87.7Confident57 Ų5775.9 Ų75.935%0.3538%0.377SS..SBendtrans-92.5164.9177.170.30000112.2F24 L25 L26 W30 G31 A32F24-T28 WeakPolarHBondContact O-CG2 3.32Å; L25-T28 PolarHBondContact O-N 2.92Å; L25-T28 PolarHBondContact O-OG1 2.95Å; L26-T28 VanDerWaalsContact C-N 3.3Å; T28-W30 PolarHBondContact O-N 2.89Å; T28-W30 PolarHBondContact OG1-N 2.85Å; T28-G31 PolarHBondContact O-N 2.71Å; T28-G31 VanDerWaalsContact O-N 3.07Å; T28-A32 PolarHBondContact O-N 2.9Å; T28-A32 VanDerWaalsContact O-N 3.07Å
29R86.3Confident87.7Confident199 Ų19974.9 Ų74.975%0.75137%0.366SS*.Hα-helixtrans-53.4-36171.3-69.3-175.1174.2177.4-1.4113.1A32 E33 G50R29-A32 WeakPolarHBondContact O-CB 3.45Å; R29-A32 PolarHBondContact O-N 3.48Å; R29-E33 WeakPolarHBondContact O-CG 3.42Å; R29-E33 PolarHBondContact O-N 3.03Å; R29-G50 WeakPolarHBondContact CG-O 3.24Å
30W88Confident87.9Confident130 Ų13071.3 Ų71.349%0.49235%0.349SS..Hα-helixtrans-62-44.2177.6178.289.8000111.8L25 T28 A32 E33 H34L25-W30 HydrophobicContact CB-CE3 4.25Å; L25-W30 HydrophobicContact CB-CZ3 4.26Å; L25-W30 HydrophobicContact CD1-CZ3 4.49Å; L25-W30 HydrophobicContact CD2-CE3 4.33Å; T28-W30 PolarHBondContact O-N 2.89Å; T28-W30 PolarHBondContact OG1-N 2.85Å; W30-A32 VanDerWaalsContact C-N 3.34Å; W30-E33 PolarHBondContact O-N 3.34Å; W30-H34 AromaticContact CD1-CE1 3.72Å; W30-H34 AromaticContact CD1-ND1 3.99Å; W30-H34 AromaticContact CD2-CE1 3.91Å; W30-H34 AromaticContact CD2-ND1 3.73Å; W30-H34 AromaticContact CE2-CE1 3.18Å; W30-H34 AromaticContact CE2-ND1 3.45Å; W30-H34 AromaticContact CE2-NE2 3.74Å; W30-H34 AromaticContact CZ2-CD2 3.89Å; W30-H34 AromaticContact CZ2-CE1 3.43Å; W30-H34 VanDerWaalsContact CZ2-CE1 3.43Å; W30-H34 WeakPolarHBondContact CZ2-CE1 3.4Å; W30-H34 AromaticContact CZ2-ND1 3.75Å; W30-H34 AromaticContact CZ2-NE2 3.48Å; W30-H34 WeakPolarHBondContact CZ2-NE2 3.29Å; W30-H34 AromaticContact NE1-CE1 3.09Å; W30-H34 PolarHBondContact NE1-CE1 2.87Å; W30-H34 AromaticContact NE1-ND1 3.66Å; W30-H34 AromaticContact NE1-NE2 3.87Å; W30-H34 PolarHBondContact O-N 2.92Å; W30-H34 VanDerWaalsContact O-N 3.14Å; W30-H34 PolarHBondContact O-ND1 3.33Å
31G87.6Confident88.2Confident1 Ų176.6 Ų76.61%0.0137%0.367CS..Hα-helixtrans-64.8-40.5175.900000111.9L25 T28 H34 I35L25-G31 WeakPolarHBondContact O-CA 3.43Å; L25-G31 PolarHBondContact O-N 3.11Å; T28-G31 PolarHBondContact O-N 2.71Å; T28-G31 VanDerWaalsContact O-N 3.07Å; G31-H34 PolarHBondContact O-N 2.83Å; G31-I35 WeakPolarHBondContact O-CG1 3.38Å; G31-I35 PolarHBondContact O-N 3.26Å
32A89.9Confident88.4Confident1 Ų180 Ų801%0.00838%0.377CS..Hα-helixtrans-60.8-45.7176.500000112.7T28 R29 W30 S36 F49T28-A32 PolarHBondContact O-N 2.9Å; T28-A32 VanDerWaalsContact O-N 3.07Å; R29-A32 WeakPolarHBondContact O-CB 3.45Å; R29-A32 PolarHBondContact O-N 3.48Å; W30-A32 VanDerWaalsContact C-N 3.34Å; A32-S36 WeakPolarHBondContact O-CB 3.19Å; A32-S36 PolarHBondContact O-N 3.15Å; A32-S36 PolarHBondContact O-OG 3.19Å; A32-F49 VanDerWaalsContact CA-CE2 3.42Å; A32-F49 HydrophobicContact CB-CD2 3.58Å; A32-F49 HydrophobicContact CB-CE2 3.35Å; A32-F49 HydrophobicContact CB-CG 4.49Å; A32-F49 HydrophobicContact CB-CZ 4.11Å; A32-F49 WeakPolarHBondContact CB-O 3.5Å
33E90.7Very high88.6Confident131 Ų13177.3 Ų77.361%0.61237%0.367SS*.Hα-helixtrans-62.1-44175.9-74.4174-176.100112.3R29 W30 S36 A37R29-E33 WeakPolarHBondContact O-CG 3.42Å; R29-E33 PolarHBondContact O-N 3.03Å; W30-E33 PolarHBondContact O-N 3.34Å; E33-S36 PolarHBondContact O-N 2.82Å; E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 3.27Å
34H91.2Very high88.7Confident98 Ų9881.3 Ų81.345%0.45439%0.391SS..Hα-helixtrans-66.1-42.6-179.7-79.369.5000112.5W30 G31 W38W30-H34 AromaticContact CD1-CE1 3.72Å; W30-H34 AromaticContact CD1-ND1 3.99Å; W30-H34 AromaticContact CD2-CE1 3.91Å; W30-H34 AromaticContact CD2-ND1 3.73Å; W30-H34 AromaticContact CE2-CE1 3.18Å; W30-H34 AromaticContact CE2-ND1 3.45Å; W30-H34 AromaticContact CE2-NE2 3.74Å; W30-H34 AromaticContact CZ2-CD2 3.89Å; W30-H34 AromaticContact CZ2-CE1 3.43Å; W30-H34 VanDerWaalsContact CZ2-CE1 3.43Å; W30-H34 WeakPolarHBondContact CZ2-CE1 3.4Å; W30-H34 AromaticContact CZ2-ND1 3.75Å; W30-H34 AromaticContact CZ2-NE2 3.48Å; W30-H34 WeakPolarHBondContact CZ2-NE2 3.29Å; W30-H34 AromaticContact NE1-CE1 3.09Å; W30-H34 PolarHBondContact NE1-CE1 2.87Å; W30-H34 AromaticContact NE1-ND1 3.66Å; W30-H34 AromaticContact NE1-NE2 3.87Å; W30-H34 PolarHBondContact O-N 2.92Å; W30-H34 VanDerWaalsContact O-N 3.14Å; W30-H34 PolarHBondContact O-ND1 3.33Å; G31-H34 PolarHBondContact O-N 2.83Å; H34-W38 VanDerWaalsContact O-CB 3.27Å; H34-W38 WeakPolarHBondContact O-CB 3.42Å; H34-W38 PolarHBondContact O-N 2.74Å
35I89.1Confident88.9Confident44 Ų4476.6 Ų76.623%0.22637%0.37CS..Hα-helixtrans-67-44.5176.3-66.8164.5000110.2L26 G31 A37 W38 V39 F49 M52L26-I35 HydrophobicContact CD2-CD1 3.62Å; L26-I35 HydrophobicContact CD2-CG1 4.35Å; G31-I35 WeakPolarHBondContact O-CG1 3.38Å; G31-I35 PolarHBondContact O-N 3.26Å; I35-A37 PolarHBondContact O-N 3.45Å; I35-W38 PolarHBondContact O-N 2.88Å; I35-V39 HydrophobicContact CG2-CG2 4.29Å; I35-V39 WeakPolarHBondContact O-CG2 3.48Å; I35-V39 PolarHBondContact O-N 3.34Å; I35-F49 HydrophobicContact CB-CE1 4.12Å; I35-F49 HydrophobicContact CB-CZ 3.84Å; I35-F49 HydrophobicContact CD1-CZ 4.16Å; I35-F49 HydrophobicContact CG2-CE1 3.85Å; I35-F49 HydrophobicContact CG2-CZ 3.89Å; I35-M52 HydrophobicContact CD1-CE 3.77Å
36S92.4Very high89.2Confident11 Ų1176.9 Ų76.98%0.07737%0.369CS..Hα-helixtrans-57.4-48.7178.5-65.60000111.6A32 E33 S40 L47 A48 F49A32-S36 WeakPolarHBondContact O-CB 3.19Å; A32-S36 PolarHBondContact O-N 3.15Å; A32-S36 PolarHBondContact O-OG 3.19Å; E33-S36 PolarHBondContact O-N 2.82Å; S36-S40 VanDerWaalsContact O-CB 3.27Å; S36-S40 WeakPolarHBondContact O-CB 3.46Å; S36-S40 PolarHBondContact O-N 2.87Å; S36-S40 PolarHBondContact O-OG 2.96Å; S36-L47 CarbonylContact C-O 3.56Å; S36-L47 VanDerWaalsContact CA-O 3.3Å; S36-L47 WeakPolarHBondContact CA-O 3.5Å; S36-L47 WeakPolarHBondContact CB-O 3.45Å; S36-A48 WeakPolarHBondContact OG-CA 3.33Å; S36-F49 WeakPolarHBondContact OG-CD1 3.35Å; S36-F49 WeakPolarHBondContact OG-CE1 3.19Å; S36-F49 PolarHBondContact OG-N 3.27Å
37A91.5Very high89.7Confident42 Ų4274.6 Ų74.635%0.34736%0.357SS..Hα-helixtrans-62.8-47.5176.200000111.6E33 I35 V39 S40 E41E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 3.27Å; I35-A37 PolarHBondContact O-N 3.45Å; A37-V39 PolarHBondContact O-N 2.89Å; A37-S40 PolarHBondContact O-N 3.17Å; A37-S40 VanDerWaalsContact O-N 3.15Å; A37-E41 WeakPolarHBondContact O-CB 3.39Å; A37-E41 WeakPolarHBondContact O-CG 3.36Å; A37-E41 PolarHBondContact O-N 3.13Å
38W91.2Very high90.1Very high168 Ų16873.7 Ų73.764%0.63636%0.359SS*.Hα-helixtrans-60.6-43.7-179.5-178.483.3000112.6H34 I35 N42H34-W38 VanDerWaalsContact O-CB 3.27Å; H34-W38 WeakPolarHBondContact O-CB 3.42Å; H34-W38 PolarHBondContact O-N 2.74Å; I35-W38 PolarHBondContact O-N 2.88Å; W38-N42 PolarHBondContact NE1-ND2 3.48Å; W38-N42 VanDerWaalsContact O-CB 3.31Å; W38-N42 WeakPolarHBondContact O-CB 3.36Å; W38-N42 PolarHBondContact O-N 2.98Å; W38-N42 VanDerWaalsContact O-N 3.12Å; W38-N42 PolarHBondContact O-ND2 2.77Å
39V88.9Confident90.5Very high31 Ų3171.6 Ų71.619%0.18835%0.345CS..Hα-helixtrans-64.7-42.8175.5172.90000110.6I35 A37 S43 L47I35-V39 HydrophobicContact CG2-CG2 4.29Å; I35-V39 WeakPolarHBondContact O-CG2 3.48Å; I35-V39 PolarHBondContact O-N 3.34Å; A37-V39 PolarHBondContact O-N 2.89Å; V39-S43 VanDerWaalsContact O-CB 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.36Å; V39-S43 PolarHBondContact O-N 2.88Å; V39-S43 VanDerWaalsContact O-N 3.14Å; V39-S43 PolarHBondContact O-OG 3.4Å; V39-L47 HydrophobicContact CB-CB 4.2Å; V39-L47 HydrophobicContact CB-CD2 4.27Å; V39-L47 HydrophobicContact CG1-CB 3.81Å; V39-L47 HydrophobicContact CG1-CD2 4.19Å; V39-L47 HydrophobicContact CG2-CD2 4.12Å
40S91.4Very high90.8Very high20 Ų2063.5 Ų63.514%0.1432%0.323CS..Hα-helixtrans-68.6-33.4-178.1-58.10000113.7S36 A37 Y45 H46 L47S36-S40 VanDerWaalsContact O-CB 3.27Å; S36-S40 WeakPolarHBondContact O-CB 3.46Å; S36-S40 PolarHBondContact O-N 2.87Å; S36-S40 PolarHBondContact O-OG 2.96Å; A37-S40 PolarHBondContact O-N 3.17Å; A37-S40 VanDerWaalsContact O-N 3.15Å; S40-Y45 WeakPolarHBondContact CA-O 3.35Å; S40-H46 PolarHBondContact OG-ND1 3.46Å; S40-L47 PolarHBondContact OG-N 3.47Å; S40-L47 VanDerWaalsContact OG-N 3.12Å; S40-L47 PolarHBondContact OG-O 3.04Å
41E91.8Very high90.9Very high155 Ų15558.3 Ų58.372%0.72431%0.308SS*.Hα-helixtrans-83.1-28179-71.6173.8-17600113.2A37A37-E41 WeakPolarHBondContact O-CB 3.39Å; A37-E41 WeakPolarHBondContact O-CG 3.36Å; A37-E41 PolarHBondContact O-N 3.13Å
42N91.2Very high91.2Very high105 Ų10559.9 Ų59.956%0.56132%0.315SS*.SBendtrans-11112.3-172.3-61.5-79.9000113.6W38W38-N42 PolarHBondContact NE1-ND2 3.48Å; W38-N42 VanDerWaalsContact O-CB 3.31Å; W38-N42 WeakPolarHBondContact O-CB 3.36Å; W38-N42 PolarHBondContact O-N 2.98Å; W38-N42 VanDerWaalsContact O-N 3.12Å; W38-N42 PolarHBondContact O-ND2 2.77Å
43S89Confident91.2Very high44 Ų4461.6 Ų61.631%0.30832%0.324SS..SBendtrans-145.7167.1176.682.70000112.1V39 Y45V39-S43 VanDerWaalsContact O-CB 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.36Å; V39-S43 PolarHBondContact O-N 2.88Å; V39-S43 VanDerWaalsContact O-N 3.14Å; V39-S43 PolarHBondContact O-OG 3.4Å; S43-Y45 PolarHBondContact O-N 3.1Å; S43-Y45 VanDerWaalsContact O-N 3.11Å; S43-Y45 PolarHBondContact OG-N 2.87Å; S43-Y45 PolarHBondContact OG-O 2.96Å
44D87.9Confident91.2Very high134 Ų13457.3 Ų57.372%0.71730%0.304SS*.SBendtrans-73.46.8174.2-57.7-45000113.3D72D44-D72 PolarHBondContact O-N 3.09Å
45Y89.6Confident91.1Very high32 Ų3259.9 Ų59.913%0.12531%0.31CS..EExtended strand (participates in β ladder)trans-120.6139.2-173.2-55.1-86.4000111.1S40 S43 F69 G70 P116 P118S40-Y45 WeakPolarHBondContact CA-O 3.35Å; S43-Y45 PolarHBondContact O-N 3.1Å; S43-Y45 VanDerWaalsContact O-N 3.11Å; S43-Y45 PolarHBondContact OG-N 2.87Å; S43-Y45 PolarHBondContact OG-O 2.96Å; Y45-F69 HydrophobicContact CD1-CE1 4.28Å; Y45-F69 AromaticContact CD1-CE2 3.96Å; Y45-F69 HydrophobicContact CD1-CE2 3.96Å; Y45-F69 AromaticContact CD1-CZ 3.45Å; Y45-F69 HydrophobicContact CD1-CZ 3.45Å; Y45-F69 VanDerWaalsContact CD1-CZ 3.45Å; Y45-F69 HydrophobicContact CE1-CZ 4.09Å; Y45-F69 AromaticContact CG-CE2 3.98Å; Y45-F69 HydrophobicContact CG-CE2 3.98Å; Y45-F69 AromaticContact CG-CZ 3.92Å; Y45-F69 HydrophobicContact CG-CZ 3.92Å; Y45-G70 CarbonylContact C-O 3.57Å; Y45-G70 VanDerWaalsContact CA-O 3.27Å; Y45-G70 WeakPolarHBondContact CA-O 3.24Å; Y45-G70 WeakPolarHBondContact CB-O 3.49Å; Y45-P116 PolarHBondContact OH-O 3.12Å; Y45-P118 HydrophobicContact CD2-CG 4.07Å; Y45-P118 HydrophobicContact CE1-CG 4.29Å; Y45-P118 HydrophobicContact CE2-CB 3.95Å; Y45-P118 HydrophobicContact CE2-CG 3.59Å; Y45-P118 VanDerWaalsContact CZ-CD 3.5Å; Y45-P118 WeakPolarHBondContact OH-CD 3.28Å
46H91.7Very high90.9Very high85 Ų8565.3 Ų65.339%0.39433%0.332SS..EExtended strand (participates in β ladder)trans-92.9124.6167.8-171.869.1000109.4S40 F69 G70S40-H46 PolarHBondContact OG-ND1 3.46Å; H46-F69 WeakPolarHBondContact O-CA 3.44Å; H46-G70 PolarHBondContact N-O 2.87Å; H46-G70 PolarHBondContact O-N 3.47Å
47L93Very high90.8Very high26 Ų2670 Ų7014%0.13636%0.364CS..EExtended strand (participates in β ladder)trans-123.9130174.3175.266.4000108.7S36 V39 S40 F49 V67 F69S36-L47 CarbonylContact C-O 3.56Å; S36-L47 VanDerWaalsContact CA-O 3.3Å; S36-L47 WeakPolarHBondContact CA-O 3.5Å; S36-L47 WeakPolarHBondContact CB-O 3.45Å; V39-L47 HydrophobicContact CB-CB 4.2Å; V39-L47 HydrophobicContact CB-CD2 4.27Å; V39-L47 HydrophobicContact CG1-CB 3.81Å; V39-L47 HydrophobicContact CG1-CD2 4.19Å; V39-L47 HydrophobicContact CG2-CD2 4.12Å; S40-L47 PolarHBondContact OG-N 3.47Å; S40-L47 VanDerWaalsContact OG-N 3.12Å; S40-L47 PolarHBondContact OG-O 3.04Å; L47-F49 HydrophobicContact CD1-CD1 4.31Å; L47-F49 HydrophobicContact CD2-CD1 4.11Å; L47-F49 HydrophobicContact CD2-CE1 4.02Å; L47-F49 HydrophobicContact CG-CD1 4.03Å; L47-F49 HydrophobicContact CG-CE1 4.37Å; L47-V67 HydrophobicContact CD1-CG1 4.06Å; L47-F69 HydrophobicContact CB-CD2 4.41Å; L47-F69 HydrophobicContact CD1-CB 4.29Å; L47-F69 HydrophobicContact CD1-CD2 4.2Å
48A94.5Very high90.7Very high33 Ų3369.7 Ų69.727%0.27336%0.362SS..EExtended strand (participates in β ladder)trans-134.9136.9168.700000109.5S36 V67 T68S36-A48 WeakPolarHBondContact OG-CA 3.33Å; A48-V67 CarbonylContact O-C 3.46Å; A48-V67 WeakPolarHBondContact O-CA 3.45Å; A48-T68 PolarHBondContact N-O 2.67Å; A48-T68 PolarHBondContact O-N 3.02Å
49F94.7Very high90.7Very high14 Ų1465.6 Ų65.66%0.06136%0.357CS..  trans-147.3154170.860.1-85.4000110.2A32 I35 S36 L47 A51 M52 L64 N66 V67A32-F49 VanDerWaalsContact CA-CE2 3.42Å; A32-F49 HydrophobicContact CB-CD2 3.58Å; A32-F49 HydrophobicContact CB-CE2 3.35Å; A32-F49 HydrophobicContact CB-CG 4.49Å; A32-F49 HydrophobicContact CB-CZ 4.11Å; A32-F49 WeakPolarHBondContact CB-O 3.5Å; I35-F49 HydrophobicContact CB-CE1 4.12Å; I35-F49 HydrophobicContact CB-CZ 3.84Å; I35-F49 HydrophobicContact CD1-CZ 4.16Å; I35-F49 HydrophobicContact CG2-CE1 3.85Å; I35-F49 HydrophobicContact CG2-CZ 3.89Å; S36-F49 WeakPolarHBondContact OG-CD1 3.35Å; S36-F49 WeakPolarHBondContact OG-CE1 3.19Å; S36-F49 PolarHBondContact OG-N 3.27Å; L47-F49 HydrophobicContact CD1-CD1 4.31Å; L47-F49 HydrophobicContact CD2-CD1 4.11Å; L47-F49 HydrophobicContact CD2-CE1 4.02Å; L47-F49 HydrophobicContact CG-CD1 4.03Å; L47-F49 HydrophobicContact CG-CE1 4.37Å; F49-A51 WeakPolarHBondContact CD2-O 3.3Å; F49-M52 HydrophobicContact CE2-CB 3.98Å; F49-M52 HydrophobicContact CE2-CE 4.25Å; F49-M52 HydrophobicContact CZ-CE 4.05Å; F49-L64 HydrophobicContact CB-CB 4.33Å; F49-L64 HydrophobicContact CD1-CD1 4.49Å; F49-L64 HydrophobicContact CD2-CD2 3.99Å; F49-L64 HydrophobicContact CE2-CD2 3.95Å; F49-L64 HydrophobicContact CG-CB 4.42Å; F49-L64 HydrophobicContact CG-CD2 4.32Å; F49-L64 HydrophobicContact CZ-CD2 4.26Å; F49-N66 WeakPolarHBondContact CA-O 3.5Å; F49-V67 HydrophobicContact CB-CG2 4.04Å
50G91.7Very high90.8Very high28 Ų2866.5 Ų66.529%0.28937%0.365SS..SBendtrans-86-33.8-174.200000114.3R29 E65R29-G50 WeakPolarHBondContact CG-O 3.24Å; G50-E65 PolarHBondContact N-O 3.31Å
51A91.1Very high90.9Very high21 Ų2168.4 Ų68.417%0.17437%0.372CS..EExtended strand (participates in β ladder)trans-155.4156.2178.800000111F49 L64 E65F49-A51 WeakPolarHBondContact CD2-O 3.3Å; A51-L64 WeakPolarHBondContact O-CA 3.37Å; A51-E65 HydrophobicContact CB-CB 4.31Å; A51-E65 PolarHBondContact O-N 2.92Å
52M92.4Very high91Very high35 Ų3563.1 Ų63.117%0.17235%0.348CS..EExtended strand (participates in β ladder)trans-118119.2171.3178.1-176.8-7300108.2Q27 I35 F49 I62 V63 L64Q27-M52 WeakPolarHBondContact CA-O 3.27Å; Q27-M52 WeakPolarHBondContact CB-O 3.24Å; Q27-M52 WeakPolarHBondContact CG-O 3.49Å; I35-M52 HydrophobicContact CD1-CE 3.77Å; F49-M52 HydrophobicContact CE2-CB 3.98Å; F49-M52 HydrophobicContact CE2-CE 4.25Å; F49-M52 HydrophobicContact CZ-CE 4.05Å; M52-I62 HydrophobicContact CE-CG2 4.17Å; M52-I62 HydrophobicContact CG-CG2 3.76Å; M52-I62 HydrophobicContact SD-CG2 4Å; M52-V63 CarbonylContact C-O 3.52Å; M52-V63 WeakPolarHBondContact CA-O 3.33Å; M52-L64 HydrophobicContact CB-CD2 4.09Å; M52-L64 HydrophobicContact CE-CD2 3.68Å; M52-L64 HydrophobicContact CG-CD2 3.98Å
53D91.2Very high91.2Very high37 Ų3759.6 Ų59.620%0.19833%0.33CS..EExtended strand (participates in β ladder)trans-101.1136.2172-172.212.4000109.4R55 V63D53-R55 IonicContact OD1-NE 3.5Å; D53-R55 IonicContact OD2-CZ 2.7Å; D53-R55 VanDerWaalsContact OD2-CZ 3.26Å; D53-R55 IonicContact OD2-NE 3.74Å; D53-R55 PolarHBondContact OD2-NE 2.87Å; D53-R55 IonicContact OD2-NH2 3.15Å; D53-R55 PolarHBondContact OD2-NH2 2.82Å; D53-V63 HydrophobicContact CB-CB 4.27Å; D53-V63 PolarHBondContact N-O 3.41Å; D53-V63 PolarHBondContact O-N 2.93Å
54H90.7Very high91.5Very high40 Ų4058.2 Ų58.219%0.18532%0.319CS..  trans-144.1130.1171.4171-80.1000108.3Y23 Q27 P59 H61Y23-H54 AromaticContact CE2-ND1 3.39Å; Y23-H54 WeakPolarHBondContact CE2-ND1 3.39Å; Y23-H54 AromaticContact CZ-ND1 3.61Å; Y23-H54 PolarHBondContact OH-ND1 2.93Å; Y23-H54 PolarHBondContact OH-O 3.2Å; Q27-H54 PolarHBondContact NE2-O 2.92Å; H54-P59 PolarHBondContact NE2-O 2.91Å; H54-H61 PolarHBondContact CD2-O 2.81Å; H54-H61 VanDerWaalsContact CD2-O 3.27Å
55R87.5Confident91.9Very high153 Ų15356.1 Ų56.158%0.57731%0.305SS*.  trans-121.6136-174.7-58.9-178.1-171.91794.7110.6D53 S57 A58D53-R55 IonicContact OD1-NE 3.5Å; D53-R55 IonicContact OD2-CZ 2.7Å; D53-R55 VanDerWaalsContact OD2-CZ 3.26Å; D53-R55 IonicContact OD2-NE 3.74Å; D53-R55 PolarHBondContact OD2-NE 2.87Å; D53-R55 IonicContact OD2-NH2 3.15Å; D53-R55 PolarHBondContact OD2-NH2 2.82Å; R55-S57 PolarHBondContact O-N 2.82Å; R55-S57 VanDerWaalsContact O-N 3.11Å; R55-A58 CarbonylContact O-C 3.58Å; R55-A58 PolarHBondContact O-N 2.84Å
56F86.4Confident92.2Very high158 Ų15859.4 Ų59.469%0.69333%0.325SS*.THydrogen-bonded Turntrans-61.7-20.2173.7-66.8-71000113.7Y23 A58Y23-F56 HydrophobicContact CE1-CE2 4.04Å; Y23-F56 HydrophobicContact CE1-CZ 4.02Å; Y23-F56 HydrophobicContact CE2-CZ 4.41Å; Y23-F56 AromaticContact CZ-CZ 3.82Å; F56-A58 VanDerWaalsContact C-N 3.29Å
57S89.3Confident92.4Very high108 Ų10855.6 Ų55.676%0.75531%0.307SS*.THydrogen-bonded Turntrans-73.4-20.1173.559.40000113.7R55R55-S57 PolarHBondContact O-N 2.82Å; R55-S57 VanDerWaalsContact O-N 3.11Å
58A89.9Confident92.6Very high36 Ų3656.6 Ų56.630%0.29832%0.315SS..SBendtrans-139.364.6177.600000108.7R55 F56 S60 H61R55-A58 CarbonylContact O-C 3.58Å; R55-A58 PolarHBondContact O-N 2.84Å; F56-A58 VanDerWaalsContact C-N 3.29Å; A58-S60 PolarHBondContact O-N 3.45Å; A58-S60 VanDerWaalsContact O-N 3.09Å; A58-H61 HydrophobicContact CB-CB 4.24Å; A58-H61 PolarHBondContact O-N 2.78Å
59P89.9Confident92.5Very high82 Ų8256.4 Ų56.453%0.53231%0.308SS..THydrogen-bonded Turntrans-69.6-12-166.730.4-36.6000113.6H54 H61H54-P59 PolarHBondContact NE2-O 2.91Å; P59-H61 VanDerWaalsContact C-N 3.33Å
60S91.6Very high92.3Very high51 Ų5155.9 Ų55.936%0.35731%0.307SS..THydrogen-bonded Turntrans-86.5-2.3172.654.70000112.9A58 A86 L87A58-S60 PolarHBondContact O-N 3.45Å; A58-S60 VanDerWaalsContact O-N 3.09Å; S60-A86 CarbonylContact O-C 3.59Å; S60-A86 WeakPolarHBondContact O-CA 3.38Å; S60-L87 WeakPolarHBondContact O-CB 2.93Å; S60-L87 WeakPolarHBondContact O-CG 3.33Å; S60-L87 PolarHBondContact O-N 3.04Å
61H94.2Very high92Very high60 Ų6059.4 Ų59.428%0.27831%0.311SS..EExtended strand (participates in β ladder)trans-110.3134.1-175.6-73.4-102.8000112H54 A58 P59 D84 I85H54-H61 PolarHBondContact CD2-O 2.81Å; H54-H61 VanDerWaalsContact CD2-O 3.27Å; A58-H61 HydrophobicContact CB-CB 4.24Å; A58-H61 PolarHBondContact O-N 2.78Å; P59-H61 VanDerWaalsContact C-N 3.33Å; H61-D84 IonicContact CE1-OD1 2.69Å; H61-D84 IonicContact CE1-OD2 2.82Å; H61-D84 IonicContact CG-OD1 3.15Å; H61-D84 IonicContact ND1-OD1 3.19Å; H61-D84 PolarHBondContact ND1-OD1 2.85Å; H61-D84 IonicContact ND1-OD2 3.48Å; H61-D84 PolarHBondContact ND1-OD2 3.11Å; H61-D84 VanDerWaalsContact ND1-OD2 3.15Å; H61-I85 WeakPolarHBondContact CA-O 3.05Å
62I93.5Very high91.7Very high44 Ų4463.5 Ų63.523%0.22633%0.33CS..EExtended strand (participates in β ladder)trans-122.1117.4170.8-59.7173.7000107.2M52 L64 I85 L87M52-I62 HydrophobicContact CE-CG2 4.17Å; M52-I62 HydrophobicContact CG-CG2 3.76Å; M52-I62 HydrophobicContact SD-CG2 4Å; I62-L64 HydrophobicContact CG2-CD2 4.17Å; I62-I85 PolarHBondContact N-O 3.49Å; I62-I85 PolarHBondContact O-N 2.98Å; I62-L87 HydrophobicContact CD1-CD1 4.2Å; I62-L87 HydrophobicContact CD1-CD2 4.31Å; I62-L87 HydrophobicContact CD1-CG 4.5Å
63V95.5Very high91.3Very high30 Ų3065.3 Ų65.318%0.18236%0.358CS..EExtended strand (participates in β ladder)trans-104.1124.3179.9-1770000109.1M52 D53 V83 D84M52-V63 CarbonylContact C-O 3.52Å; M52-V63 WeakPolarHBondContact CA-O 3.33Å; D53-V63 HydrophobicContact CB-CB 4.27Å; D53-V63 PolarHBondContact N-O 3.41Å; D53-V63 PolarHBondContact O-N 2.93Å; V63-V83 CarbonylContact C-O 3.44Å; V63-V83 WeakPolarHBondContact CA-O 3.46Å; V63-D84 HydrophobicContact CG2-CB 4.03Å
64L95.7Very high91Very high16 Ų1669.6 Ų69.68%0.08438%0.377CS..EExtended strand (participates in β ladder)trans-102.6126.8173.1-53.2-179.6000109F49 A51 M52 I62 V67 S82 V83 I85F49-L64 HydrophobicContact CB-CB 4.33Å; F49-L64 HydrophobicContact CD1-CD1 4.49Å; F49-L64 HydrophobicContact CD2-CD2 3.99Å; F49-L64 HydrophobicContact CE2-CD2 3.95Å; F49-L64 HydrophobicContact CG-CB 4.42Å; F49-L64 HydrophobicContact CG-CD2 4.32Å; F49-L64 HydrophobicContact CZ-CD2 4.26Å; A51-L64 WeakPolarHBondContact O-CA 3.37Å; M52-L64 HydrophobicContact CB-CD2 4.09Å; M52-L64 HydrophobicContact CE-CD2 3.68Å; M52-L64 HydrophobicContact CG-CD2 3.98Å; I62-L64 HydrophobicContact CG2-CD2 4.17Å; L64-V67 HydrophobicContact CB-CG2 3.41Å; L64-V67 VanDerWaalsContact CB-CG2 3.41Å; L64-V67 HydrophobicContact CD1-CG2 4.5Å; L64-V67 WeakPolarHBondContact O-CG2 3.38Å; L64-S82 CarbonylContact O-C 3.58Å; L64-S82 WeakPolarHBondContact O-CA 3.48Å; L64-V83 HydrophobicContact CB-CB 4.35Å; L64-V83 PolarHBondContact N-O 2.89Å; L64-V83 PolarHBondContact O-N 2.8Å; L64-I85 HydrophobicContact CD1-CD1 4.16Å
65E95.9Very high90.8Very high89 Ų8972.7 Ų72.742%0.41640%0.4SS..EExtended strand (participates in β ladder)trans-98.5142.7178.3-62.6-17216900111.6G50 A51 K81G50-E65 PolarHBondContact N-O 3.31Å; A51-E65 HydrophobicContact CB-CB 4.31Å; A51-E65 PolarHBondContact O-N 2.92Å; E65-K81 CarbonylContact C-O 3.4Å; E65-K81 WeakPolarHBondContact CA-O 3.43Å
66N96.2Very high90.9Very high102 Ų10266.7 Ų66.755%0.54538%0.384SS..EExtended strand (participates in β ladder)trans5356.9178.3-56-62000112.7F49 A80 K81F49-N66 WeakPolarHBondContact CA-O 3.5Å; N66-A80 CarbonylContact C-O 3.57Å; N66-A80 WeakPolarHBondContact CA-O 3.15Å; N66-K81 PolarHBondContact N-O 3.07Å
67V96.4Very high91.1Very high4 Ų460.2 Ų60.22%0.02436%0.357CS..EExtended strand (participates in β ladder)trans-83134.3-175-173.30000111L47 A48 F49 L64 V79 A80 V83L47-V67 HydrophobicContact CD1-CG1 4.06Å; A48-V67 CarbonylContact O-C 3.46Å; A48-V67 WeakPolarHBondContact O-CA 3.45Å; F49-V67 HydrophobicContact CB-CG2 4.04Å; L64-V67 HydrophobicContact CB-CG2 3.41Å; L64-V67 VanDerWaalsContact CB-CG2 3.41Å; L64-V67 HydrophobicContact CD1-CG2 4.5Å; L64-V67 WeakPolarHBondContact O-CG2 3.38Å; V67-V79 CarbonylContact O-C 3.58Å; V67-V79 VanDerWaalsContact O-CA 3.3Å; V67-V79 WeakPolarHBondContact O-CA 3.36Å; V67-A80 PolarHBondContact N-O 3.48Å; V67-A80 PolarHBondContact O-N 2.95Å; V67-V83 HydrophobicContact CB-CG2 3.76Å; V67-V83 HydrophobicContact CG1-CG2 4.05Å; V67-V83 HydrophobicContact CG2-CB 3.93Å; V67-V83 HydrophobicContact CG2-CG2 3.56Å
68T95.5Very high91.3Very high48 Ų4855.8 Ų55.829%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-124126.1163.6-59.10000107.8A48 A76 L78 V79A48-T68 PolarHBondContact N-O 2.67Å; A48-T68 PolarHBondContact O-N 3.02Å; T68-A76 HydrophobicContact CG2-CB 3.56Å; T68-L78 CarbonylContact C-O 3.54Å; T68-L78 WeakPolarHBondContact CA-O 3.44Å; T68-V79 HydrophobicContact CG2-CG2 4.3Å
69F93.2Very high91.6Very high29 Ų2957.1 Ų57.113%0.12733%0.329CS..EExtended strand (participates in β ladder)trans-138137.5179.9172.8-94.1000110.6Y45 H46 L47 T77 L78 L117Y45-F69 HydrophobicContact CD1-CE1 4.28Å; Y45-F69 AromaticContact CD1-CE2 3.96Å; Y45-F69 HydrophobicContact CD1-CE2 3.96Å; Y45-F69 AromaticContact CD1-CZ 3.45Å; Y45-F69 HydrophobicContact CD1-CZ 3.45Å; Y45-F69 VanDerWaalsContact CD1-CZ 3.45Å; Y45-F69 HydrophobicContact CE1-CZ 4.09Å; Y45-F69 AromaticContact CG-CE2 3.98Å; Y45-F69 HydrophobicContact CG-CE2 3.98Å; Y45-F69 AromaticContact CG-CZ 3.92Å; Y45-F69 HydrophobicContact CG-CZ 3.92Å; H46-F69 WeakPolarHBondContact O-CA 3.44Å; L47-F69 HydrophobicContact CB-CD2 4.41Å; L47-F69 HydrophobicContact CD1-CB 4.29Å; L47-F69 HydrophobicContact CD1-CD2 4.2Å; F69-T77 PolarHBondContact O-N 2.97Å; F69-L78 HydrophobicContact CB-CB 4.21Å; F69-L78 HydrophobicContact CB-CD2 4.43Å; F69-L78 PolarHBondContact N-O 3.02Å; F69-L78 PolarHBondContact O-N 3.48Å; F69-L117 HydrophobicContact CE1-CD2 3.77Å; F69-L117 HydrophobicContact CZ-CD2 4.38Å
70G89.8Confident92Very high3 Ų353.4 Ų53.43%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-169.9-175.2178.200000111.7Y45 H46Y45-G70 CarbonylContact C-O 3.57Å; Y45-G70 VanDerWaalsContact CA-O 3.27Å; Y45-G70 WeakPolarHBondContact CA-O 3.24Å; Y45-G70 WeakPolarHBondContact CB-O 3.49Å; H46-G70 PolarHBondContact N-O 2.87Å; H46-G70 PolarHBondContact O-N 3.47Å
71R85.9Confident92.3Very high102 Ų10257.3 Ų57.339%0.38532%0.316SS..EExtended strand (participates in β ladder)trans-75.7151.3167.7-65.3-170.9-172.1-147.516.7110.1Q74 Q113 A115R71-Q74 HydrophobicContact CB-CB 3.99Å; R71-Q74 HydrophobicContact CB-CG 3.94Å; R71-Q74 PolarHBondContact O-N 2.77Å; R71-Q113 PolarHBondContact NH2-O 2.93Å; R71-A115 VanDerWaalsContact NE-CB 3.33Å
72D84.2Confident92.4Very high106 Ų10655.3 Ų55.357%0.56731%0.309SS*.THydrogen-bonded Turntrans-60.1139.1171.7-169.928.2000111.4D44 Q74D44-D72 PolarHBondContact O-N 3.09Å; D72-Q74 PolarHBondContact O-N 2.99Å; D72-Q74 VanDerWaalsContact O-N 3.1Å
73G84.8Confident92.6Very high74 Ų7453.7 Ų53.776%0.76330%0.301SS*.THydrogen-bonded Turntrans65.13.8-175.700000116.7
74Q85.4Confident92.7Very high127 Ų12753.8 Ų53.859%0.59330%0.3SS*.SBendtrans-112158.9178.9-64.1-64.7-38.500111.7R71 D72R71-Q74 HydrophobicContact CB-CB 3.99Å; R71-Q74 HydrophobicContact CB-CG 3.94Å; R71-Q74 PolarHBondContact O-N 2.77Å; D72-Q74 PolarHBondContact O-N 2.99Å; D72-Q74 VanDerWaalsContact O-N 3.1Å
75P86.6Confident92.7Very high105 Ų10555 Ų5568%0.68231%0.306SS*.  trans-55.1146.6169.9-2434.3000112.1T77P75-T77 PolarHBondContact O-N 3.37Å
76A90Very high92.6Very high27 Ų2751 Ų5122%0.22329%0.288CS..  trans-57.7125.9-179.800000111.9T68 V79 N109T68-A76 HydrophobicContact CG2-CB 3.56Å; A76-V79 HydrophobicContact CB-CG2 3.75Å; A76-N109 PolarHBondContact O-ND2 2.68Å; A76-N109 VanDerWaalsContact O-ND2 3.13Å
77T89.6Confident92.5Very high21 Ų2149 Ų4913%0.12928%0.278CS..SBendtrans-76.4-32.1175.3-52.80000111.2F69 P75 L108 N109 L110 T114F69-T77 PolarHBondContact O-N 2.97Å; P75-T77 PolarHBondContact O-N 3.37Å; T77-L108 CarbonylContact O-C 3.56Å; T77-L108 WeakPolarHBondContact O-CA 3.19Å; T77-N109 WeakPolarHBondContact CG2-O 3.29Å; T77-N109 PolarHBondContact O-N 3.14Å; T77-L110 HydrophobicContact CG2-CD2 3.78Å; T77-T114 HydrophobicContact CG2-CG2 4.36Å
78L93.6Very high92.1Very high16 Ų1649.4 Ų49.48%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-133.5132.3177.6170.566000109.1T68 F69 A80 V83 L103 T107 L108 M129T68-L78 CarbonylContact C-O 3.54Å; T68-L78 WeakPolarHBondContact CA-O 3.44Å; F69-L78 HydrophobicContact CB-CB 4.21Å; F69-L78 HydrophobicContact CB-CD2 4.43Å; F69-L78 PolarHBondContact N-O 3.02Å; F69-L78 PolarHBondContact O-N 3.48Å; L78-A80 HydrophobicContact CD1-CB 3.9Å; L78-A80 HydrophobicContact CG-CB 4.43Å; L78-V83 HydrophobicContact CD2-CG2 4.14Å; L78-L103 HydrophobicContact CD1-CD1 4.01Å; L78-L103 HydrophobicContact CD1-CD2 4.43Å; L78-L103 HydrophobicContact CD2-CD1 4.45Å; L78-L103 HydrophobicContact CD2-CD2 3.91Å; L78-T107 WeakPolarHBondContact CA-O 3.26Å; L78-L108 HydrophobicContact CB-CD2 4.18Å; L78-L108 HydrophobicContact CD1-CD2 3.75Å; L78-L108 HydrophobicContact CD1-CG 4.2Å; L78-M129 HydrophobicContact CD1-CE 3.82Å
79V96.6Very high91.6Very high63 Ų6353.1 Ų53.138%0.38231%0.308SS..EExtended strand (participates in β ladder)trans-130.9115.7164.6179.40000106.8V67 T68 A76 G106 T107V67-V79 CarbonylContact O-C 3.58Å; V67-V79 VanDerWaalsContact O-CA 3.3Å; V67-V79 WeakPolarHBondContact O-CA 3.36Å; T68-V79 HydrophobicContact CG2-CG2 4.3Å; A76-V79 HydrophobicContact CB-CG2 3.75Å; V79-G106 CarbonylContact O-C 3.5Å; V79-G106 VanDerWaalsContact O-C 3.3Å; V79-G106 WeakPolarHBondContact O-CA 3.34Å; V79-T107 PolarHBondContact N-O 3.12Å; V79-T107 PolarHBondContact O-N 2.86Å
80A97.4Very high91.2Very high5 Ų556.2 Ų56.24%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-140.9146.7-17700000112N66 V67 L78 S82 V83 M129N66-A80 CarbonylContact C-O 3.57Å; N66-A80 WeakPolarHBondContact CA-O 3.15Å; V67-A80 PolarHBondContact N-O 3.48Å; V67-A80 PolarHBondContact O-N 2.95Å; L78-A80 HydrophobicContact CD1-CB 3.9Å; L78-A80 HydrophobicContact CG-CB 4.43Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-V83 HydrophobicContact CB-CG2 4.1Å; A80-M129 HydrophobicContact CB-CE 4.38Å
81K97.6Very high90.9Very high132 Ų13258 Ų5857%0.57433%0.327SS*.EExtended strand (participates in β ladder)trans-69.7-32.4174-68.8-177.7-172.31730112E65 N66 E104 N105E65-K81 CarbonylContact C-O 3.4Å; E65-K81 WeakPolarHBondContact CA-O 3.43Å; N66-K81 PolarHBondContact N-O 3.07Å; K81-E104 PolarHBondContact N-O 3.18Å; K81-E104 VanDerWaalsContact N-O 3.16Å; K81-N105 HydrophobicContact CB-CB 4.05Å; K81-N105 HydrophobicContact CD-CB 3.73Å; K81-N105 HydrophobicContact CG-CB 4.03Å; K81-N105 WeakPolarHBondContact CG-O 3.33Å; K81-N105 PolarHBondContact N-O 3.28Å; K81-N105 VanDerWaalsContact N-O 3.14Å
82S97.7Very high90.6Very high19 Ų1961.4 Ų61.413%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-142.9136.9-179.6178.70000110.7L64 A80 E104L64-S82 CarbonylContact O-C 3.58Å; L64-S82 WeakPolarHBondContact O-CA 3.48Å; A80-S82 VanDerWaalsContact C-N 3.31Å; S82-E104 PolarHBondContact N-O 3.14Å; S82-E104 PolarHBondContact O-N 3.07Å; S82-E104 PolarHBondContact OG-OE2 3.31Å
83V97.3Very high90.8Very high9 Ų961.7 Ų61.76%0.05536%0.358CS..EExtended strand (participates in β ladder)trans-128.5105.9169.1178.10000107.7V63 L64 V67 L78 A80 I85 I101 L102 L103V63-V83 CarbonylContact C-O 3.44Å; V63-V83 WeakPolarHBondContact CA-O 3.46Å; L64-V83 HydrophobicContact CB-CB 4.35Å; L64-V83 PolarHBondContact N-O 2.89Å; L64-V83 PolarHBondContact O-N 2.8Å; V67-V83 HydrophobicContact CB-CG2 3.76Å; V67-V83 HydrophobicContact CG1-CG2 4.05Å; V67-V83 HydrophobicContact CG2-CB 3.93Å; V67-V83 HydrophobicContact CG2-CG2 3.56Å; L78-V83 HydrophobicContact CD2-CG2 4.14Å; A80-V83 HydrophobicContact CB-CG2 4.1Å; V83-I85 HydrophobicContact CG1-CD1 4.34Å; V83-I85 HydrophobicContact CG1-CG1 3.98Å; V83-I101 HydrophobicContact CG1-CG2 4.26Å; V83-L102 CarbonylContact C-O 3.6Å; V83-L102 WeakPolarHBondContact CA-O 3.41Å; V83-L103 HydrophobicContact CB-CD2 4.26Å; V83-L103 HydrophobicContact CG1-CD2 3.79Å; V83-L103 HydrophobicContact CG2-CD2 3.72Å
84D97.2Very high90.9Very high33 Ų3361.2 Ų61.218%0.17634%0.335CS..EExtended strand (participates in β ladder)trans-95120.7175.7178.32.8000109.6H61 V63 I101 L102H61-D84 IonicContact CE1-OD1 2.69Å; H61-D84 IonicContact CE1-OD2 2.82Å; H61-D84 IonicContact CG-OD1 3.15Å; H61-D84 IonicContact ND1-OD1 3.19Å; H61-D84 PolarHBondContact ND1-OD1 2.85Å; H61-D84 IonicContact ND1-OD2 3.48Å; H61-D84 PolarHBondContact ND1-OD2 3.11Å; H61-D84 VanDerWaalsContact ND1-OD2 3.15Å; V63-D84 HydrophobicContact CG2-CB 4.03Å; D84-I101 CarbonylContact O-C 3.5Å; D84-I101 WeakPolarHBondContact O-CA 3.44Å; D84-L102 HydrophobicContact CB-CB 4.16Å; D84-L102 HydrophobicContact CB-CD2 4.46Å; D84-L102 PolarHBondContact N-O 3.19Å; D84-L102 PolarHBondContact O-N 2.92Å
85I95.5Very high90.9Very high40 Ų4059.5 Ų59.521%0.20534%0.335CS..EExtended strand (participates in β ladder)trans-111.1107.7-178.4-55.5172.3000108H61 I62 L64 V83 V98H61-I85 WeakPolarHBondContact CA-O 3.05Å; I62-I85 PolarHBondContact N-O 3.49Å; I62-I85 PolarHBondContact O-N 2.98Å; L64-I85 HydrophobicContact CD1-CD1 4.16Å; V83-I85 HydrophobicContact CG1-CD1 4.34Å; V83-I85 HydrophobicContact CG1-CG1 3.98Å; I85-V98 HydrophobicContact CG2-CB 4.15Å; I85-V98 HydrophobicContact CG2-CG1 3.77Å; I85-V98 HydrophobicContact CG2-CG2 4.37Å
86A95Very high90.9Very high5 Ų562.5 Ų62.54%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-86.2117.5172.200000110.1S60 V98 D99 T100S60-A86 CarbonylContact O-C 3.59Å; S60-A86 WeakPolarHBondContact O-CA 3.38Å; A86-V98 WeakPolarHBondContact O-CB 3.31Å; A86-D99 HydrophobicContact CB-CB 4.32Å; A86-D99 WeakPolarHBondContact O-CB 3.46Å; A86-D99 PolarHBondContact O-N 2.65Å; A86-T100 PolarHBondContact N-O 2.68Å; A86-T100 PolarHBondContact O-N 2.84Å
87L92.6Very high91Very high61 Ų6161.6 Ų61.632%0.31932%0.324SS..PPolyproline II helixtrans-71139.8178.9-58.4177.9000111.1S60 I62 Q91S60-L87 WeakPolarHBondContact O-CB 2.93Å; S60-L87 WeakPolarHBondContact O-CG 3.33Å; S60-L87 PolarHBondContact O-N 3.04Å; I62-L87 HydrophobicContact CD1-CD1 4.2Å; I62-L87 HydrophobicContact CD1-CD2 4.31Å; I62-L87 HydrophobicContact CD1-CG 4.5Å; L87-Q91 HydrophobicContact CD2-CG 4.29Å
88S88.6Confident91.2Very high13 Ų1361.1 Ų61.19%0.09132%0.321CS..PPolyproline II helixtrans-83.1153.7175.9-172.60000111.1R90 Q91S88-R90 PolarHBondContact O-N 2.78Å; S88-R90 VanDerWaalsContact O-N 3.1Å; S88-R90 PolarHBondContact OG-N 2.9Å; S88-Q91 VanDerWaalsContact O-CB 3.31Å; S88-Q91 WeakPolarHBondContact O-CB 3.48Å; S88-Q91 PolarHBondContact O-N 3.21Å
89S85.1Confident91.3Very high125 Ų12563.5 Ų63.587%0.87433%0.334SS*.THydrogen-bonded Turntrans-59.5-19.2164.959.30000112.6
90R84.8Confident91.3Very high94 Ų9461.3 Ų61.336%0.35532%0.321SS..THydrogen-bonded Turntrans-86.41.5175.9-62.6-180-77.2174.5-9.6114.2S88 L92 T93 E94 H97 D122S88-R90 PolarHBondContact O-N 2.78Å; S88-R90 VanDerWaalsContact O-N 3.1Å; S88-R90 PolarHBondContact OG-N 2.9Å; R90-L92 PolarHBondContact O-N 2.76Å; R90-L92 VanDerWaalsContact O-N 3.08Å; R90-T93 PolarHBondContact O-N 2.75Å; R90-T93 PolarHBondContact O-OG1 3.05Å; R90-T93 VanDerWaalsContact O-OG1 3.12Å; R90-E94 PolarHBondContact O-N 2.86Å; R90-H97 PolarHBondContact NH2-NE2 2.82Å; R90-D122 IonicContact CZ-OD2 2.73Å; R90-D122 IonicContact NH2-OD1 3.86Å; R90-D122 PolarHBondContact NH2-OD1 2.87Å; R90-D122 IonicContact NH2-OD2 3.9Å; R90-D122 PolarHBondContact NH2-OD2 2.88Å
91Q83.2Confident91.3Very high42 Ų4262 Ų6220%0.19632%0.324CS..THydrogen-bonded Turntrans-56.7-32.7-172.2-157.674.142.200113.5L87 S88 E94 P95 H97L87-Q91 HydrophobicContact CD2-CG 4.29Å; S88-Q91 VanDerWaalsContact O-CB 3.31Å; S88-Q91 WeakPolarHBondContact O-CB 3.48Å; S88-Q91 PolarHBondContact O-N 3.21Å; Q91-E94 CarbonylContact O-C 3.52Å; Q91-P95 PolarHBondContact NE2-O 3.14Å; Q91-P95 VanDerWaalsContact O-CA 3.25Å; Q91-P95 WeakPolarHBondContact O-CA 3.38Å; Q91-H97 PolarHBondContact NE2-O 2.72Å; Q91-H97 PolarHBondContact OE1-O 2.89Å
92L80.7Confident91.3Very high173 Ų17357 Ų5791%0.90630%0.303SS*.THydrogen-bonded Turntrans-68.7-34.3179.8-68.2172.2000113R90R90-L92 PolarHBondContact O-N 2.76Å; R90-L92 VanDerWaalsContact O-N 3.08Å
93T87.4Confident91.3Very high112 Ų11256.5 Ų56.569%0.68730%0.299SS*.THydrogen-bonded Turntrans-94.7-28.7-179.452.60000112.3R90R90-T93 PolarHBondContact O-N 2.75Å; R90-T93 PolarHBondContact O-OG1 3.05Å; R90-T93 VanDerWaalsContact O-OG1 3.12Å
94E86.5Confident91.3Very high63 Ų6357 Ų5729%0.29430%0.301SS..  trans-126.876.5178.4-65-171.7-133.200110.5R90 Q91 R96 H97 K120R90-E94 PolarHBondContact O-N 2.86Å; Q91-E94 CarbonylContact O-C 3.52Å; E94-R96 PolarHBondContact O-N 3.43Å; E94-H97 HydrophobicContact CB-CB 3.64Å; E94-H97 WeakPolarHBondContact O-CB 3.33Å; E94-H97 PolarHBondContact O-N 2.92Å; E94-H97 IonicContact OE2-CG 3.75Å; E94-K120 WeakPolarHBondContact OE2-CE 3.36Å; E94-K120 IonicContact OE2-NZ 3.85Å; E94-K120 PolarHBondContact OE2-NZ 2.88Å
95P85.4Confident91.4Very high92 Ų9258.3 Ų58.360%0.59731%0.308SS*.THydrogen-bonded Turntrans-64.4-18.1-170.824.2-35.2000114.8Q91Q91-P95 PolarHBondContact NE2-O 3.14Å; Q91-P95 VanDerWaalsContact O-CA 3.25Å; Q91-P95 WeakPolarHBondContact O-CA 3.38Å
96R87.7Confident91.4Very high167 Ų16757.1 Ų57.163%0.6331%0.305SS*.THydrogen-bonded Turntrans-97.59176.5-67.2175.4-179.4-173.32.7113.1E94 P118 F119 K120E94-R96 PolarHBondContact O-N 3.43Å; R96-P118 WeakPolarHBondContact CB-O 3.36Å; R96-P118 VanDerWaalsContact CD-O 3.3Å; R96-P118 WeakPolarHBondContact CD-O 3.31Å; R96-F119 HydrophobicContact CB-CD1 4.23Å; R96-F119 HydrophobicContact CG-CD1 4.28Å; R96-F119 HydrophobicContact CG-CE1 4.48Å; R96-F119 WeakPolarHBondContact O-CA 3.48Å; R96-K120 PolarHBondContact O-N 2.76Å
97H91.8Very high91.5Very high8 Ų858.9 Ų58.94%0.03732%0.315CS..EExtended strand (participates in β ladder)trans-117.1117.5-179.8-175.967.4000109.9R90 Q91 E94 K120 D122R90-H97 PolarHBondContact NH2-NE2 2.82Å; Q91-H97 PolarHBondContact NE2-O 2.72Å; Q91-H97 PolarHBondContact OE1-O 2.89Å; E94-H97 HydrophobicContact CB-CB 3.64Å; E94-H97 WeakPolarHBondContact O-CB 3.33Å; E94-H97 PolarHBondContact O-N 2.92Å; E94-H97 IonicContact OE2-CG 3.75Å; H97-K120 WeakPolarHBondContact CA-O 3.41Å; H97-K120 HydrophobicContact CB-CD 4.47Å; H97-K120 HydrophobicContact CB-CG 4.13Å; H97-K120 WeakPolarHBondContact ND1-CE 3.46Å; H97-D122 IonicContact CE1-OD1 3.58Å; H97-D122 PolarHBondContact CE1-OD1 2.96Å; H97-D122 IonicContact NE2-OD1 2.71Å; H97-D122 PolarHBondContact NE2-OD1 3.05Å; H97-D122 IonicContact NE2-OD2 2.89Å; H97-D122 PolarHBondContact NE2-OD2 3.17Å
98V94Very high91.5Very high11 Ų1157 Ų577%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-110.7164.4177.9-60.90000109.7I85 A86 I101 K120 A121 D122I85-V98 HydrophobicContact CG2-CB 4.15Å; I85-V98 HydrophobicContact CG2-CG1 3.77Å; I85-V98 HydrophobicContact CG2-CG2 4.37Å; A86-V98 WeakPolarHBondContact O-CB 3.31Å; V98-I101 HydrophobicContact CG2-CD1 3.74Å; V98-I101 HydrophobicContact CG2-CG1 3.46Å; V98-I101 VanDerWaalsContact CG2-CG1 3.46Å; V98-K120 PolarHBondContact N-O 2.89Å; V98-A121 HydrophobicContact CG2-CB 3.71Å; V98-A121 VanDerWaalsContact O-CA 3.24Å; V98-A121 WeakPolarHBondContact O-CA 3.48Å; V98-D122 PolarHBondContact O-N 2.76Å; V98-D122 VanDerWaalsContact O-N 3.1Å
99D95.2Very high91.6Very high66 Ų6659.1 Ų59.135%0.35332%0.316SS..EExtended strand (participates in β ladder)trans-72.7-63.6176.217989.6000109.8A86 D122 R123A86-D99 HydrophobicContact CB-CB 4.32Å; A86-D99 WeakPolarHBondContact O-CB 3.46Å; A86-D99 PolarHBondContact O-N 2.65Å; D99-D122 CarbonylContact O-C 3.57Å; D99-D122 WeakPolarHBondContact O-CA 3.3Å; D99-D122 WeakPolarHBondContact O-CB 3.32Å; D99-D122 PolarHBondContact O-N 2.86Å; D99-R123 PolarHBondContact O-N 3.29Å
100T96.7Very high91.5Very high18 Ų1853.9 Ų53.911%0.1128%0.278CS..EExtended strand (participates in β ladder)trans-131.3139.2-176.9-60.90000110.8A86 R123A86-T100 PolarHBondContact N-O 2.68Å; A86-T100 PolarHBondContact O-N 2.84Å; T100-R123 CarbonylContact C-O 3.1Å; T100-R123 VanDerWaalsContact CA-O 3.28Å; T100-R123 WeakPolarHBondContact CA-O 3.49Å; T100-R123 HydrophobicContact CG2-CB 4.22Å; T100-R123 HydrophobicContact CG2-CG 4.29Å
101I96.4Very high91Very high20 Ų2052.1 Ų52.110%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-115.6120.5164.4-61.2175.4000107.6V83 D84 V98 L103 A121 R123 L124 Q125 W152V83-I101 HydrophobicContact CG1-CG2 4.26Å; D84-I101 CarbonylContact O-C 3.5Å; D84-I101 WeakPolarHBondContact O-CA 3.44Å; V98-I101 HydrophobicContact CG2-CD1 3.74Å; V98-I101 HydrophobicContact CG2-CG1 3.46Å; V98-I101 VanDerWaalsContact CG2-CG1 3.46Å; I101-L103 HydrophobicContact CG2-CD2 3.74Å; I101-L103 HydrophobicContact CG2-CG 4.25Å; I101-A121 HydrophobicContact CD1-CB 4.14Å; I101-A121 HydrophobicContact CG1-CB 4.05Å; I101-R123 PolarHBondContact N-O 2.71Å; I101-L124 HydrophobicContact CB-CD1 4.05Å; I101-L124 HydrophobicContact CG2-CD1 3.97Å; I101-L124 CarbonylContact O-C 3.49Å; I101-L124 WeakPolarHBondContact O-CA 3.36Å; I101-Q125 PolarHBondContact O-N 2.77Å; I101-W152 HydrophobicContact CD1-CE3 4.19Å; I101-W152 HydrophobicContact CD1-CZ3 3.65Å
102L97.9Very high90.2Very high26 Ų2654.6 Ų54.614%0.13629%0.293CS..EExtended strand (participates in β ladder)trans-111.6116.8176.9169.662.1000109.6V83 D84 E104 Q125 R127V83-L102 CarbonylContact C-O 3.6Å; V83-L102 WeakPolarHBondContact CA-O 3.41Å; D84-L102 HydrophobicContact CB-CB 4.16Å; D84-L102 HydrophobicContact CB-CD2 4.46Å; D84-L102 PolarHBondContact N-O 3.19Å; D84-L102 PolarHBondContact O-N 2.92Å; L102-E104 HydrophobicContact CD1-CG 4.03Å; L102-E104 HydrophobicContact CD2-CG 4.34Å; L102-E104 VanDerWaalsContact CD2-OE1 3.24Å; L102-E104 WeakPolarHBondContact CD2-OE1 3.47Å; L102-E104 HydrophobicContact CG-CG 3.74Å; L102-Q125 CarbonylContact C-O 3.6Å; L102-Q125 WeakPolarHBondContact CA-O 3.48Å; L102-Q125 HydrophobicContact CD1-CB 3.96Å; L102-Q125 HydrophobicContact CD1-CG 3.86Å; L102-R127 HydrophobicContact CD1-CB 4.21Å
103L97.7Very high89.4Confident9 Ų954.2 Ų54.25%0.04729%0.286CS..EExtended strand (participates in β ladder)trans-102.5128.9178.1-52.8-177.7000109.8L78 V83 I101 L108 L124 Q125 L126 R127 M129L78-L103 HydrophobicContact CD1-CD1 4.01Å; L78-L103 HydrophobicContact CD1-CD2 4.43Å; L78-L103 HydrophobicContact CD2-CD1 4.45Å; L78-L103 HydrophobicContact CD2-CD2 3.91Å; V83-L103 HydrophobicContact CB-CD2 4.26Å; V83-L103 HydrophobicContact CG1-CD2 3.79Å; V83-L103 HydrophobicContact CG2-CD2 3.72Å; I101-L103 HydrophobicContact CG2-CD2 3.74Å; I101-L103 HydrophobicContact CG2-CG 4.25Å; L103-L108 HydrophobicContact CD1-CD1 4.03Å; L103-L108 HydrophobicContact CD1-CD2 4.02Å; L103-L108 HydrophobicContact CD1-CG 4.32Å; L103-L124 HydrophobicContact CD1-CD1 4Å; L103-L124 HydrophobicContact CG-CD1 4.1Å; L103-Q125 PolarHBondContact N-O 2.77Å; L103-L126 HydrophobicContact CB-CD2 3.94Å; L103-L126 HydrophobicContact CD1-CD2 3.7Å; L103-L126 HydrophobicContact CG-CD2 4.08Å; L103-R127 PolarHBondContact O-N 2.91Å; L103-M129 HydrophobicContact CB-CE 3.95Å; L103-M129 HydrophobicContact CB-CG 4.32Å; L103-M129 HydrophobicContact CB-SD 3.93Å
104E98.2Very high88.2Confident20 Ų2049.4 Ų49.49%0.09326%0.257CS..EExtended strand (participates in β ladder)trans-133.7135.9-172.6-37.6-171.811800113.9K81 S82 L102 R127K81-E104 PolarHBondContact N-O 3.18Å; K81-E104 VanDerWaalsContact N-O 3.16Å; S82-E104 PolarHBondContact N-O 3.14Å; S82-E104 PolarHBondContact O-N 3.07Å; S82-E104 PolarHBondContact OG-OE2 3.31Å; L102-E104 HydrophobicContact CD1-CG 4.03Å; L102-E104 HydrophobicContact CD2-CG 4.34Å; L102-E104 VanDerWaalsContact CD2-OE1 3.24Å; L102-E104 WeakPolarHBondContact CD2-OE1 3.47Å; L102-E104 HydrophobicContact CG-CG 3.74Å; E104-R127 VanDerWaalsContact CA-O 3.28Å; E104-R127 WeakPolarHBondContact CA-O 3.37Å; E104-R127 HydrophobicContact CB-CB 4.46Å; E104-R127 HydrophobicContact CG-CB 4.27Å; E104-R127 IonicContact OE1-CZ 3.85Å; E104-R127 IonicContact OE1-NE 3.26Å; E104-R127 PolarHBondContact OE1-NE 2.83Å; E104-R127 IonicContact OE1-NH1 2.81Å; E104-R127 PolarHBondContact OE1-NH1 2.96Å; E104-R127 IonicContact OE1-NH2 3.13Å; E104-R127 PolarHBondContact OE1-NH2 2.81Å; E104-R127 IonicContact OE2-CZ 3.76Å; E104-R127 IonicContact OE2-NH2 3.91Å; E104-R127 PolarHBondContact OE2-NH2 2.81Å
105N98.2Very high87Confident59 Ų5947.3 Ų47.332%0.31625%0.25SS..EExtended strand (participates in β ladder)trans51.366.6174-55.6-74000112.5K81 R127 D128K81-N105 HydrophobicContact CB-CB 4.05Å; K81-N105 HydrophobicContact CD-CB 3.73Å; K81-N105 HydrophobicContact CG-CB 4.03Å; K81-N105 WeakPolarHBondContact CG-O 3.33Å; K81-N105 PolarHBondContact N-O 3.28Å; K81-N105 VanDerWaalsContact N-O 3.14Å; N105-R127 PolarHBondContact N-O 3.17Å; N105-D128 WeakPolarHBondContact CA-O 3.1Å; N105-D128 PolarHBondContact OD1-OD2 2.77Å
106G97.3Very high86.2Confident15 Ų1546.2 Ų46.216%0.15524%0.243CC..EExtended strand (participates in β ladder)trans-160.5-169-169.600000114.1V79 M129 A130V79-G106 CarbonylContact O-C 3.5Å; V79-G106 VanDerWaalsContact O-C 3.3Å; V79-G106 WeakPolarHBondContact O-CA 3.34Å; G106-M129 PolarHBondContact N-SD 2.85Å; G106-M129 VanDerWaalsContact N-SD 3.37Å; G106-M129 CarbonylContact O-C 3.54Å; G106-M129 WeakPolarHBondContact O-CA 3.46Å; G106-A130 PolarHBondContact O-N 3.37Å
107T96.6Very high85.9Confident42 Ų4240 Ų4026%0.25822%0.222SC..EExtended strand (participates in β ladder)trans-131.9132.4179.1-54.80000110.1L78 V79 N109 A130 N132L78-T107 WeakPolarHBondContact CA-O 3.26Å; V79-T107 PolarHBondContact N-O 3.12Å; V79-T107 PolarHBondContact O-N 2.86Å; T107-N109 VanDerWaalsContact CG2-OD1 3.31Å; T107-N109 WeakPolarHBondContact CG2-OD1 3.48Å; T107-A130 CarbonylContact C-O 3.51Å; T107-A130 WeakPolarHBondContact CA-O 3.45Å; T107-A130 HydrophobicContact CG2-CB 4.14Å; T107-N132 WeakPolarHBondContact CG2-ND2 3.23Å
108L93Very high85.3Confident21 Ų2141 Ų4111%0.1123%0.23CC..EExtended strand (participates in β ladder)trans-103.2119.6166.2-77165.9000109.2T77 L78 L103 L126 M129 A130 F131 N132T77-L108 CarbonylContact O-C 3.56Å; T77-L108 WeakPolarHBondContact O-CA 3.19Å; L78-L108 HydrophobicContact CB-CD2 4.18Å; L78-L108 HydrophobicContact CD1-CD2 3.75Å; L78-L108 HydrophobicContact CD1-CG 4.2Å; L103-L108 HydrophobicContact CD1-CD1 4.03Å; L103-L108 HydrophobicContact CD1-CD2 4.02Å; L103-L108 HydrophobicContact CD1-CG 4.32Å; L108-L126 HydrophobicContact CD1-CD1 4.11Å; L108-L126 HydrophobicContact CD1-CD2 3.8Å; L108-M129 HydrophobicContact CD1-CE 4.44Å; L108-M129 HydrophobicContact CG-CE 4.05Å; L108-A130 PolarHBondContact N-O 2.84Å; L108-F131 HydrophobicContact CB-CD2 4.23Å; L108-F131 CarbonylContact O-C 3.43Å; L108-F131 WeakPolarHBondContact O-CA 3.31Å; L108-N132 PolarHBondContact O-N 3.31Å
109N90.3Very high85Confident59 Ų5945.4 Ų45.432%0.31625%0.248SC..EExtended strand (participates in β ladder)trans-110.4103.6176.5-58.7-55.6000109.2A76 T77 T107 N132A76-N109 PolarHBondContact O-ND2 2.68Å; A76-N109 VanDerWaalsContact O-ND2 3.13Å; T77-N109 WeakPolarHBondContact CG2-O 3.29Å; T77-N109 PolarHBondContact O-N 3.14Å; T107-N109 VanDerWaalsContact CG2-OD1 3.31Å; T107-N109 WeakPolarHBondContact CG2-OD1 3.48Å; N109-N132 CarbonylContact C-O 3.52Å; N109-N132 WeakPolarHBondContact CA-O 3.45Å; N109-N132 PolarHBondContact OD1-ND2 3.39Å; N109-N132 VanDerWaalsContact OD1-ND2 3.08Å
110L82.8Confident84.8Confident14 Ų1445.9 Ų45.97%0.07325%0.247CC..  trans-108.1139.2-176.2-54.7-169.3000111.4T77 T114 F131 N132 S133 V159T77-L110 HydrophobicContact CG2-CD2 3.78Å; L110-T114 HydrophobicContact CD2-CG2 4.44Å; L110-F131 HydrophobicContact CB-CZ 4.26Å; L110-F131 HydrophobicContact CD1-CD2 4.39Å; L110-F131 HydrophobicContact CD1-CE2 3.3Å; L110-F131 HydrophobicContact CD1-CZ 3.54Å; L110-F131 HydrophobicContact CG-CE2 3.87Å; L110-F131 HydrophobicContact CG-CZ 4.02Å; L110-N132 PolarHBondContact N-O 3.15Å; L110-S133 VanDerWaalsContact O-CA 3.25Å; L110-S133 WeakPolarHBondContact O-CA 3.29Å; L110-S133 WeakPolarHBondContact O-CB 3.26Å; L110-S133 PolarHBondContact O-OG 3.14Å; L110-V159 HydrophobicContact CD1-CB 3.97Å; L110-V159 HydrophobicContact CD1-CG1 4.19Å; L110-V159 HydrophobicContact CD1-CG2 3.59Å
111T74.7Confident84.8Confident58 Ų5845.1 Ų45.136%0.35624%0.242SC..  trans-124.7154.3173.258.60000109.4Q113 T114T111-Q113 PolarHBondContact O-N 2.69Å; T111-T114 WeakPolarHBondContact O-CB 3.3Å; T111-T114 PolarHBondContact O-N 2.85Å; T111-T114 PolarHBondContact O-OG1 2.9Å
112D65.2Low84.7Confident94 Ų9446.5 Ų46.550%0.50325%0.25SC..THydrogen-bonded Turntrans-56.8-26.5178.2-71.2-7.3000112.7T114 S136D112-T114 VanDerWaalsContact C-N 3.26Å; D112-T114 PolarHBondContact O-N 3.16Å; D112-S136 WeakPolarHBondContact OD1-CA 3.34Å; D112-S136 WeakPolarHBondContact OD1-CB 3.35Å; D112-S136 WeakPolarHBondContact OD2-CA 3.41Å
113Q63.5Low84.7Confident164 Ų16450.9 Ų50.977%0.76626%0.264SS*.THydrogen-bonded Turntrans-85.117.3174.7-62.7-166.5-24.300113.9R71 T111 A115R71-Q113 PolarHBondContact NH2-O 2.93Å; T111-Q113 PolarHBondContact O-N 2.69Å; Q113-A115 PolarHBondContact O-N 2.98Å; Q113-A115 VanDerWaalsContact O-N 3.1Å
114T62.4Low84.6Confident12 Ų1251.1 Ų51.17%0.07427%0.265CS..PPolyproline II helixtrans-59.7121.4173.422.10000109.4T77 L110 T111 D112 V159T77-T114 HydrophobicContact CG2-CG2 4.36Å; L110-T114 HydrophobicContact CD2-CG2 4.44Å; T111-T114 WeakPolarHBondContact O-CB 3.3Å; T111-T114 PolarHBondContact O-N 2.85Å; T111-T114 PolarHBondContact O-OG1 2.9Å; D112-T114 VanDerWaalsContact C-N 3.26Å; D112-T114 PolarHBondContact O-N 3.16Å; T114-V159 HydrophobicContact CG2-CG1 4.48Å; T114-V159 WeakPolarHBondContact OG1-CG1 3.44Å
115A62.3Low84.6Confident19 Ų1953.8 Ų53.816%0.15728%0.278CS..PPolyproline II helixtrans-59.6159.4173.600000108.1R71 Q113 L117R71-A115 VanDerWaalsContact NE-CB 3.33Å; Q113-A115 PolarHBondContact O-N 2.98Å; Q113-A115 VanDerWaalsContact O-N 3.1Å; A115-L117 PolarHBondContact O-N 3.26Å; A115-L117 VanDerWaalsContact O-N 3.08Å
116P68.9Low84.6Confident69 Ų6951.4 Ų51.445%0.44827%0.265SS..PPolyproline II helixtrans-52.8126.3167.325.8-32.3000108.2Y45Y45-P116 PolarHBondContact OH-O 3.12Å
117L80.9Confident84.7Confident37 Ų3756.7 Ų56.719%0.19428%0.28CS..PPolyproline II helixtrans-69140.4170.5-67.3168.5000107.5F69 A115 F119 W152 P154F69-L117 HydrophobicContact CE1-CD2 3.77Å; F69-L117 HydrophobicContact CZ-CD2 4.38Å; A115-L117 PolarHBondContact O-N 3.26Å; A115-L117 VanDerWaalsContact O-N 3.08Å; L117-F119 PolarHBondContact O-N 2.99Å; L117-F119 VanDerWaalsContact O-N 3.17Å; L117-W152 HydrophobicContact CD1-CH2 3.8Å; L117-W152 HydrophobicContact CD1-CZ2 3.49Å; L117-W152 VanDerWaalsContact CD1-CZ2 3.49Å; L117-P154 HydrophobicContact CB-CB 4.19Å; L117-P154 HydrophobicContact CB-CG 3.8Å; L117-P154 HydrophobicContact CD1-CB 4.15Å; L117-P154 HydrophobicContact CD1-CG 4.24Å
118P80.1Confident84.7Confident29 Ų2958 Ų5819%0.18829%0.286CS..SBendtrans-79.5-0.1-168.431.3-31.8000112.8Y45 R96Y45-P118 HydrophobicContact CD2-CG 4.07Å; Y45-P118 HydrophobicContact CE1-CG 4.29Å; Y45-P118 HydrophobicContact CE2-CB 3.95Å; Y45-P118 HydrophobicContact CE2-CG 3.59Å; Y45-P118 VanDerWaalsContact CZ-CD 3.5Å; Y45-P118 WeakPolarHBondContact OH-CD 3.28Å; R96-P118 WeakPolarHBondContact CB-O 3.36Å; R96-P118 VanDerWaalsContact CD-O 3.3Å; R96-P118 WeakPolarHBondContact CD-O 3.31Å
119F86.7Confident85Confident102 Ų10257.1 Ų57.145%0.44728%0.281SS..  trans-127.2153.9-176.4-48.3-69.7000111.1R96 L117 P154R96-F119 HydrophobicContact CB-CD1 4.23Å; R96-F119 HydrophobicContact CG-CD1 4.28Å; R96-F119 HydrophobicContact CG-CE1 4.48Å; R96-F119 WeakPolarHBondContact O-CA 3.48Å; L117-F119 PolarHBondContact O-N 2.99Å; L117-F119 VanDerWaalsContact O-N 3.17Å; F119-P154 WeakPolarHBondContact O-CG 3.41Å
120K92.1Very high85.3Confident77 Ų7755.2 Ų55.234%0.33527%0.274SS..EExtended strand (participates in β ladder)trans-131.1154.7171.854.2170.9-171.7173.20109.4E94 R96 H97 V98 W152E94-K120 WeakPolarHBondContact OE2-CE 3.36Å; E94-K120 IonicContact OE2-NZ 3.85Å; E94-K120 PolarHBondContact OE2-NZ 2.88Å; R96-K120 PolarHBondContact O-N 2.76Å; H97-K120 WeakPolarHBondContact CA-O 3.41Å; H97-K120 HydrophobicContact CB-CD 4.47Å; H97-K120 HydrophobicContact CB-CG 4.13Å; H97-K120 WeakPolarHBondContact ND1-CE 3.46Å; V98-K120 PolarHBondContact N-O 2.89Å; K120-W152 WeakPolarHBondContact CA-O 3.32Å
121A94.9Very high85.8Confident1 Ų156.3 Ų56.31%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-133.8150.6178.300000111.4V98 I101 R123 W152V98-A121 HydrophobicContact CG2-CB 3.71Å; V98-A121 VanDerWaalsContact O-CA 3.24Å; V98-A121 WeakPolarHBondContact O-CA 3.48Å; I101-A121 HydrophobicContact CD1-CB 4.14Å; I101-A121 HydrophobicContact CG1-CB 4.05Å; A121-R123 WeakPolarHBondContact CB-O 3.27Å; A121-R123 PolarHBondContact O-N 2.83Å; A121-W152 HydrophobicContact CB-CE3 3.99Å; A121-W152 PolarHBondContact N-O 2.75Å; A121-W152 CarbonylContact O-C 3.57Å; A121-W152 PolarHBondContact O-N 2.88Å
122D95.8Very high86.5Confident49 Ų4956.2 Ų56.226%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-63.9-27166-69.6-35.7000110.7R90 H97 V98 D99 P151R90-D122 IonicContact CZ-OD2 2.73Å; R90-D122 IonicContact NH2-OD1 3.86Å; R90-D122 PolarHBondContact NH2-OD1 2.87Å; R90-D122 IonicContact NH2-OD2 3.9Å; R90-D122 PolarHBondContact NH2-OD2 2.88Å; H97-D122 IonicContact CE1-OD1 3.58Å; H97-D122 PolarHBondContact CE1-OD1 2.96Å; H97-D122 IonicContact NE2-OD1 2.71Å; H97-D122 PolarHBondContact NE2-OD1 3.05Å; H97-D122 IonicContact NE2-OD2 2.89Å; H97-D122 PolarHBondContact NE2-OD2 3.17Å; V98-D122 PolarHBondContact O-N 2.76Å; V98-D122 VanDerWaalsContact O-N 3.1Å; D99-D122 CarbonylContact O-C 3.57Å; D99-D122 WeakPolarHBondContact O-CA 3.3Å; D99-D122 WeakPolarHBondContact O-CB 3.32Å; D99-D122 PolarHBondContact O-N 2.86Å; D122-P151 WeakPolarHBondContact O-CA 3.27Å
123R97Very high87.6Confident119 Ų11952.2 Ų52.245%0.44926%0.255SS..EExtended strand (participates in β ladder)trans-145131172.8-177178.7-62153.24.7112.3D99 T100 I101 A121 V149 V150D99-R123 PolarHBondContact O-N 3.29Å; T100-R123 CarbonylContact C-O 3.1Å; T100-R123 VanDerWaalsContact CA-O 3.28Å; T100-R123 WeakPolarHBondContact CA-O 3.49Å; T100-R123 HydrophobicContact CG2-CB 4.22Å; T100-R123 HydrophobicContact CG2-CG 4.29Å; I101-R123 PolarHBondContact N-O 2.71Å; A121-R123 WeakPolarHBondContact CB-O 3.27Å; A121-R123 PolarHBondContact O-N 2.83Å; R123-V149 WeakPolarHBondContact CA-O 3.45Å; R123-V150 HydrophobicContact CB-CG2 4.13Å; R123-V150 HydrophobicContact CG-CG2 3.84Å
124L97Very high88.2Confident13 Ų1348.1 Ų48.17%0.06824%0.242CC..EExtended strand (participates in β ladder)trans-102.5128.5159.5173.967.5000108.3I101 L103 L126 G148 V149 W152I101-L124 HydrophobicContact CB-CD1 4.05Å; I101-L124 HydrophobicContact CG2-CD1 3.97Å; I101-L124 CarbonylContact O-C 3.49Å; I101-L124 WeakPolarHBondContact O-CA 3.36Å; L103-L124 HydrophobicContact CD1-CD1 4Å; L103-L124 HydrophobicContact CG-CD1 4.1Å; L124-L126 HydrophobicContact CD1-CD2 4.38Å; L124-L126 HydrophobicContact CG-CD2 4.33Å; L124-G148 CarbonylContact O-C 3.57Å; L124-G148 WeakPolarHBondContact O-CA 3.47Å; L124-V149 HydrophobicContact CB-CB 4.47Å; L124-V149 PolarHBondContact N-O 3.17Å; L124-V149 PolarHBondContact O-N 2.83Å; L124-W152 HydrophobicContact CB-CB 3.58Å; L124-W152 HydrophobicContact CB-CD2 3.78Å; L124-W152 HydrophobicContact CB-CE3 4.2Å; L124-W152 HydrophobicContact CB-CG 3.5Å; L124-W152 HydrophobicContact CD2-CD2 3.89Å; L124-W152 HydrophobicContact CD2-CG 3.96Å; L124-W152 HydrophobicContact CD2-CZ2 4.14Å; L124-W152 HydrophobicContact CG-CD2 4.31Å; L124-W152 HydrophobicContact CG-CG 4.34Å
125Q97.9Very high88.8Confident77 Ų7753.3 Ų53.336%0.3627%0.27SS..EExtended strand (participates in β ladder)trans-126138.7179.4-168.6168.8-12.200110.5I101 L102 L103 G147I101-Q125 PolarHBondContact O-N 2.77Å; L102-Q125 CarbonylContact C-O 3.6Å; L102-Q125 WeakPolarHBondContact CA-O 3.48Å; L102-Q125 HydrophobicContact CD1-CB 3.96Å; L102-Q125 HydrophobicContact CD1-CG 3.86Å; L103-Q125 PolarHBondContact N-O 2.77Å; Q125-G147 CarbonylContact C-O 3.52Å; Q125-G147 WeakPolarHBondContact CA-O 3.48Å
126L97.8Very high89.2Confident9 Ų953.7 Ų53.75%0.04727%0.271CS..EExtended strand (participates in β ladder)trans-116.8134.1179.5-52.2-174.4000108.6L103 L108 L124 M129 V145 N146 G147 F168L103-L126 HydrophobicContact CB-CD2 3.94Å; L103-L126 HydrophobicContact CD1-CD2 3.7Å; L103-L126 HydrophobicContact CG-CD2 4.08Å; L108-L126 HydrophobicContact CD1-CD1 4.11Å; L108-L126 HydrophobicContact CD1-CD2 3.8Å; L124-L126 HydrophobicContact CD1-CD2 4.38Å; L124-L126 HydrophobicContact CG-CD2 4.33Å; L126-M129 HydrophobicContact CB-CB 4.29Å; L126-M129 HydrophobicContact CB-CG 3.86Å; L126-M129 HydrophobicContact CD2-CG 4.25Å; L126-V145 HydrophobicContact CD1-CG1 3.99Å; L126-N146 WeakPolarHBondContact O-CA 3.13Å; L126-G147 PolarHBondContact N-O 3.27Å; L126-G147 PolarHBondContact O-N 2.77Å; L126-F168 HydrophobicContact CD1-CD1 4.36Å; L126-F168 HydrophobicContact CD1-CE1 3.75Å; L126-F168 HydrophobicContact CG-CE1 4.3Å
127R98.4Very high89.3Confident125 Ų12557.4 Ų57.447%0.47228%0.283SS..EExtended strand (participates in β ladder)trans-131.1114.9172.7-168.1175.679.3-164.2-1.8110.3L102 L103 E104 N105 M129 N146L102-R127 HydrophobicContact CD1-CB 4.21Å; L103-R127 PolarHBondContact O-N 2.91Å; E104-R127 VanDerWaalsContact CA-O 3.28Å; E104-R127 WeakPolarHBondContact CA-O 3.37Å; E104-R127 HydrophobicContact CB-CB 4.46Å; E104-R127 HydrophobicContact CG-CB 4.27Å; E104-R127 IonicContact OE1-CZ 3.85Å; E104-R127 IonicContact OE1-NE 3.26Å; E104-R127 PolarHBondContact OE1-NE 2.83Å; E104-R127 IonicContact OE1-NH1 2.81Å; E104-R127 PolarHBondContact OE1-NH1 2.96Å; E104-R127 IonicContact OE1-NH2 3.13Å; E104-R127 PolarHBondContact OE1-NH2 2.81Å; E104-R127 IonicContact OE2-CZ 3.76Å; E104-R127 IonicContact OE2-NH2 3.91Å; E104-R127 PolarHBondContact OE2-NH2 2.81Å; N105-R127 PolarHBondContact N-O 3.17Å; R127-M129 VanDerWaalsContact C-N 3.35Å; R127-M129 PolarHBondContact O-N 2.79Å; R127-N146 WeakPolarHBondContact CA-OD1 3.46Å
128D98.2Very high89.1Confident70 Ų7060.5 Ų60.537%0.37429%0.292SS..EExtended strand (participates in β ladder)trans52.449.8-178.3-160.134.7000113.5N105 R144 V145 N146N105-D128 WeakPolarHBondContact CA-O 3.1Å; N105-D128 PolarHBondContact OD1-OD2 2.77Å; D128-R144 WeakPolarHBondContact OD1-CA 3.24Å; D128-V145 PolarHBondContact N-O 3.04Å; D128-N146 PolarHBondContact N-OD1 2.98Å
129M98.1Very high89.4Confident2 Ų264.5 Ų64.51%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-94.5158.6178.3-64.7-63.4-68.100111.4L78 A80 L103 G106 L108 L126 R127 R144 V145L78-M129 HydrophobicContact CD1-CE 3.82Å; A80-M129 HydrophobicContact CB-CE 4.38Å; L103-M129 HydrophobicContact CB-CE 3.95Å; L103-M129 HydrophobicContact CB-CG 4.32Å; L103-M129 HydrophobicContact CB-SD 3.93Å; G106-M129 PolarHBondContact N-SD 2.85Å; G106-M129 VanDerWaalsContact N-SD 3.37Å; G106-M129 CarbonylContact O-C 3.54Å; G106-M129 WeakPolarHBondContact O-CA 3.46Å; L108-M129 HydrophobicContact CD1-CE 4.44Å; L108-M129 HydrophobicContact CG-CE 4.05Å; L126-M129 HydrophobicContact CB-CB 4.29Å; L126-M129 HydrophobicContact CB-CG 3.86Å; L126-M129 HydrophobicContact CD2-CG 4.25Å; R127-M129 VanDerWaalsContact C-N 3.35Å; R127-M129 PolarHBondContact O-N 2.79Å; M129-R144 PolarHBondContact O-N 2.95Å; M129-R144 VanDerWaalsContact O-N 3.14Å; M129-V145 HydrophobicContact CB-CB 4.37Å; M129-V145 PolarHBondContact N-O 2.81Å; M129-V145 WeakPolarHBondContact O-CB 3.32Å; M129-V145 WeakPolarHBondContact O-CG2 3.06Å; M129-V145 PolarHBondContact O-N 3.43Å
130A97.4Very high89.5Confident19 Ų1961.9 Ų61.916%0.15730%0.297CS..EExtended strand (participates in β ladder)trans-105.2148.2161.400000108.9G106 T107 L108 A142G106-A130 PolarHBondContact O-N 3.37Å; T107-A130 CarbonylContact C-O 3.51Å; T107-A130 WeakPolarHBondContact CA-O 3.45Å; T107-A130 HydrophobicContact CG2-CB 4.14Å; L108-A130 PolarHBondContact N-O 2.84Å; A130-A142 CarbonylContact C-O 3.59Å; A130-A142 VanDerWaalsContact CA-O 3.27Å; A130-A142 WeakPolarHBondContact CA-O 3.42Å
131F91.6Very high89.7Confident38 Ų3860.7 Ų60.717%0.16730%0.298CS..EExtended strand (participates in β ladder)trans-129130.5179-176-81000108.9L108 L110 L140 S141 A142 V145L108-F131 HydrophobicContact CB-CD2 4.23Å; L108-F131 CarbonylContact O-C 3.43Å; L108-F131 WeakPolarHBondContact O-CA 3.31Å; L110-F131 HydrophobicContact CB-CZ 4.26Å; L110-F131 HydrophobicContact CD1-CD2 4.39Å; L110-F131 HydrophobicContact CD1-CE2 3.3Å; L110-F131 HydrophobicContact CD1-CZ 3.54Å; L110-F131 HydrophobicContact CG-CE2 3.87Å; L110-F131 HydrophobicContact CG-CZ 4.02Å; F131-L140 HydrophobicContact CD1-CD2 3.84Å; F131-L140 HydrophobicContact CD1-CG 4.03Å; F131-L140 HydrophobicContact CE1-CD2 3.56Å; F131-L140 HydrophobicContact CE1-CG 4.07Å; F131-L140 HydrophobicContact CZ-CD2 4.44Å; F131-S141 CarbonylContact O-C 3.6Å; F131-S141 VanDerWaalsContact O-CA 3.27Å; F131-S141 WeakPolarHBondContact O-CA 2.98Å; F131-A142 HydrophobicContact CB-CB 4.36Å; F131-A142 PolarHBondContact N-O 3.11Å; F131-A142 PolarHBondContact O-N 3.25Å; F131-V145 HydrophobicContact CB-CG2 4.32Å
132N91.5Very high89.8Confident55 Ų5560.9 Ų60.929%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-133.1127.1176.7-60.5-51000110.5T107 L108 N109 L110T107-N132 WeakPolarHBondContact CG2-ND2 3.23Å; L108-N132 PolarHBondContact O-N 3.31Å; N109-N132 CarbonylContact C-O 3.52Å; N109-N132 WeakPolarHBondContact CA-O 3.45Å; N109-N132 PolarHBondContact OD1-ND2 3.39Å; N109-N132 VanDerWaalsContact OD1-ND2 3.08Å; L110-N132 PolarHBondContact N-O 3.15Å
133S87.2Confident89.9Confident11 Ų1164.4 Ų64.48%0.07732%0.315CS..EExtended strand (participates in β ladder)trans-137.876.4170.3-1640000110.9L110 S136 L140L110-S133 VanDerWaalsContact O-CA 3.25Å; L110-S133 WeakPolarHBondContact O-CA 3.29Å; L110-S133 WeakPolarHBondContact O-CB 3.26Å; L110-S133 PolarHBondContact O-OG 3.14Å; S133-S136 PolarHBondContact O-OG 2.84Å; S133-S136 PolarHBondContact OG-OG 2.82Å; S133-L140 PolarHBondContact N-O 3.16Å; S133-L140 PolarHBondContact O-N 3.39Å
134P76.2Confident89.9Confident77 Ų7765.1 Ų65.150%0.532%0.317SS..THydrogen-bonded Turntrans-75.4-22.2-173.529.7-35.5000113.9
135N74.2Confident90Very high121 Ų12165 Ų6565%0.64732%0.317SS*.THydrogen-bonded Turntrans-10921.8-172.3-64.6-19.5000113
136S70.9Confident90Very high28 Ų2863.9 Ų63.920%0.19631%0.313CS..SBendtrans-97.4168.7173.371.10000111.2D112 S133 W138D112-S136 WeakPolarHBondContact OD1-CA 3.34Å; D112-S136 WeakPolarHBondContact OD1-CB 3.35Å; D112-S136 WeakPolarHBondContact OD2-CA 3.41Å; S133-S136 PolarHBondContact O-OG 2.84Å; S133-S136 PolarHBondContact OG-OG 2.82Å; S136-W138 PolarHBondContact O-N 3.02Å; S136-W138 VanDerWaalsContact O-N 3.1Å; S136-W138 VanDerWaalsContact OG-C 3.31Å; S136-W138 PolarHBondContact OG-N 3.23Å; S136-W138 PolarHBondContact OG-O 2.9Å
137E71.3Confident90Very high147 Ų14764.5 Ų64.569%0.68732%0.323SS*.SBendtrans-51.2-30.2170.6-174.6-170.1173.500111.8
138W76.5Confident89.9Confident102 Ų10259.2 Ų59.239%0.38631%0.307SS..SBendtrans-117.396.5178.9-62.978.7000109.8S136 L140 L175S136-W138 PolarHBondContact O-N 3.02Å; S136-W138 VanDerWaalsContact O-N 3.1Å; S136-W138 VanDerWaalsContact OG-C 3.31Å; S136-W138 PolarHBondContact OG-N 3.23Å; S136-W138 PolarHBondContact OG-O 2.9Å; W138-L140 WeakPolarHBondContact O-CB 3.43Å; W138-L140 PolarHBondContact O-N 3.01Å; W138-L175 HydrophobicContact CB-CD1 3.94Å; W138-L175 HydrophobicContact CE3-CD1 3.81Å; W138-L175 HydrophobicContact CE3-CD2 3.91Å; W138-L175 HydrophobicContact CE3-CG 4Å; W138-L175 HydrophobicContact CZ3-CD2 4.05Å
139K85.8Confident89.9Confident112 Ų11255.9 Ų55.949%0.48729%0.289SS..  trans-58.7106.2176.7-66.2-175.4-175.8172.90109.2L175 N176K139-L175 CarbonylContact O-C 3.53Å; K139-L175 WeakPolarHBondContact O-CA 3.23Å; K139-N176 PolarHBondContact N-OD1 3.26Å; K139-N176 PolarHBondContact O-N 2.84Å
140L90.7Very high89.9Confident48 Ų4858.8 Ų58.825%0.25131%0.307SS..EExtended strand (participates in β ladder)trans-120.2125.8-173.1177.763.1000109.5F131 S133 W138 L173 S174 L175F131-L140 HydrophobicContact CD1-CD2 3.84Å; F131-L140 HydrophobicContact CD1-CG 4.03Å; F131-L140 HydrophobicContact CE1-CD2 3.56Å; F131-L140 HydrophobicContact CE1-CG 4.07Å; F131-L140 HydrophobicContact CZ-CD2 4.44Å; S133-L140 PolarHBondContact N-O 3.16Å; S133-L140 PolarHBondContact O-N 3.39Å; W138-L140 WeakPolarHBondContact O-CB 3.43Å; W138-L140 PolarHBondContact O-N 3.01Å; L140-L173 HydrophobicContact CD1-CD1 3.59Å; L140-L173 HydrophobicContact CD1-CD2 4.21Å; L140-L173 HydrophobicContact CD1-CG 3.71Å; L140-S174 WeakPolarHBondContact CA-O 3.45Å; L140-L175 HydrophobicContact CB-CD1 4.48Å; L140-L175 HydrophobicContact CD1-CD1 4.26Å
141S94.8Very high89.8Confident51 Ų5160.8 Ų60.836%0.35732%0.318SS..EExtended strand (participates in β ladder)trans-131.5141.6163.363.60000109.7F131 L173 S174F131-S141 CarbonylContact O-C 3.6Å; F131-S141 VanDerWaalsContact O-CA 3.27Å; F131-S141 WeakPolarHBondContact O-CA 2.98Å; S141-L173 CarbonylContact O-C 3.23Å; S141-L173 VanDerWaalsContact O-CA 3.25Å; S141-L173 WeakPolarHBondContact O-CA 3.3Å; S141-S174 PolarHBondContact N-O 2.84Å; S141-S174 PolarHBondContact O-N 2.69Å; S141-S174 WeakPolarHBondContact OG-CB 3.19Å
142A96.9Very high90Very high6 Ų660.1 Ų60.15%0.0532%0.315CS..EExtended strand (participates in β ladder)trans-147.2149.4179.500000111.2A130 F131 V145 A170 S172 L173A130-A142 CarbonylContact C-O 3.59Å; A130-A142 VanDerWaalsContact CA-O 3.27Å; A130-A142 WeakPolarHBondContact CA-O 3.42Å; F131-A142 HydrophobicContact CB-CB 4.36Å; F131-A142 PolarHBondContact N-O 3.11Å; F131-A142 PolarHBondContact O-N 3.25Å; A142-V145 HydrophobicContact CB-CG2 3.6Å; A142-A170 HydrophobicContact CB-CB 4.22Å; A142-S172 CarbonylContact C-O 3.53Å; A142-S172 WeakPolarHBondContact CA-O 3.28Å; A142-S172 WeakPolarHBondContact CB-O 3.42Å; A142-L173 HydrophobicContact CB-CB 4.34Å; A142-L173 HydrophobicContact CB-CD1 4.35Å; A142-L173 HydrophobicContact CB-CG 4.48Å
143Q97.7Very high90.1Very high122 Ų12259.7 Ų59.757%0.5732%0.316SS*.EExtended strand (participates in β ladder)trans-129.6154178.3-57.7-177-26.100111V145 G171 S172Q143-V145 PolarHBondContact O-N 3.1Å; Q143-G171 PolarHBondContact O-N 2.84Å; Q143-S172 WeakPolarHBondContact CB-OG 3.34Å; Q143-S172 PolarHBondContact N-O 2.87Å; Q143-S172 PolarHBondContact O-N 3.08Å
144R98Very high90.3Very high135 Ų13559.9 Ų59.951%0.50932%0.317SS..EExtended strand (participates in β ladder)trans54.944-176.1-56180-71.5153.8-0111.3D128 M129 N146 G171D128-R144 WeakPolarHBondContact OD1-CA 3.24Å; M129-R144 PolarHBondContact O-N 2.95Å; M129-R144 VanDerWaalsContact O-N 3.14Å; R144-N146 PolarHBondContact O-ND2 2.84Å; R144-G171 VanDerWaalsContact NH2-CA 3.35Å; R144-G171 PolarHBondContact NH2-O 3.22Å; R144-G171 PolarHBondContact O-N 2.77Å
145V98.1Very high90.8Very high11 Ų1161.1 Ų61.17%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-75.8125.2179.3-1770000109L126 D128 M129 F131 A142 Q143 F168 S169 A170L126-V145 HydrophobicContact CD1-CG1 3.99Å; D128-V145 PolarHBondContact N-O 3.04Å; M129-V145 HydrophobicContact CB-CB 4.37Å; M129-V145 PolarHBondContact N-O 2.81Å; M129-V145 WeakPolarHBondContact O-CB 3.32Å; M129-V145 WeakPolarHBondContact O-CG2 3.06Å; M129-V145 PolarHBondContact O-N 3.43Å; F131-V145 HydrophobicContact CB-CG2 4.32Å; A142-V145 HydrophobicContact CB-CG2 3.6Å; Q143-V145 PolarHBondContact O-N 3.1Å; V145-F168 HydrophobicContact CG1-CD1 4.26Å; V145-S169 CarbonylContact C-O 3.57Å; V145-S169 VanDerWaalsContact CA-O 3.24Å; V145-S169 WeakPolarHBondContact CA-O 3.3Å; V145-A170 HydrophobicContact CG2-CB 4.07Å
146N98.4Very high91.2Very high52 Ų5258.5 Ų58.528%0.27831%0.309SS..EExtended strand (participates in β ladder)trans-128.2154175.4-61.8-81.4000109.2L126 R127 D128 R144 F168 S169L126-N146 WeakPolarHBondContact O-CA 3.13Å; R127-N146 WeakPolarHBondContact CA-OD1 3.46Å; D128-N146 PolarHBondContact N-OD1 2.98Å; R144-N146 PolarHBondContact O-ND2 2.84Å; N146-F168 CarbonylContact O-C 3.47Å; N146-F168 VanDerWaalsContact O-CA 3.3Å; N146-F168 WeakPolarHBondContact O-CA 3.17Å; N146-S169 PolarHBondContact N-O 2.79Å; N146-S169 PolarHBondContact O-N 3.11Å
147G97.6Very high91.6Very high23 Ų2359.5 Ų59.524%0.23732%0.324CS..EExtended strand (participates in β ladder)trans126.4-154.6175.900000112.9Q125 L126 Q167Q125-G147 CarbonylContact C-O 3.52Å; Q125-G147 WeakPolarHBondContact CA-O 3.48Å; L126-G147 PolarHBondContact N-O 3.27Å; L126-G147 PolarHBondContact O-N 2.77Å; G147-Q167 CarbonylContact C-O 3.55Å; G147-Q167 WeakPolarHBondContact CA-O 3.33Å
148G97Very high92.3Very high14 Ų1456.4 Ų56.414%0.14431%0.308CS..EExtended strand (participates in β ladder)trans-175.3-179.4-175.500000116.7L124 Q167L124-G148 CarbonylContact O-C 3.57Å; L124-G148 WeakPolarHBondContact O-CA 3.47Å; G148-Q167 PolarHBondContact N-O 2.9Å; G148-Q167 PolarHBondContact O-N 2.62Å
149V97.6Very high92.8Very high0 Ų053.1 Ų53.10%030%0.299CS..EExtended strand (participates in β ladder)trans-130.3132.6-176.9-172.40000110R123 L124 W152 L160 A164 Q165 I166 F168R123-V149 WeakPolarHBondContact CA-O 3.45Å; L124-V149 HydrophobicContact CB-CB 4.47Å; L124-V149 PolarHBondContact N-O 3.17Å; L124-V149 PolarHBondContact O-N 2.83Å; V149-W152 HydrophobicContact CB-CB 4.27Å; V149-W152 HydrophobicContact CG1-CB 4.34Å; V149-L160 HydrophobicContact CG1-CB 4.49Å; V149-L160 HydrophobicContact CG2-CD2 4.07Å; V149-A164 HydrophobicContact CG1-CB 3.49Å; V149-A164 VanDerWaalsContact CG1-CB 3.49Å; V149-Q165 CarbonylContact C-O 3.5Å; V149-Q165 VanDerWaalsContact CA-O 3.31Å; V149-Q165 WeakPolarHBondContact CA-O 3.27Å; V149-I166 HydrophobicContact CG1-CG2 4.27Å; V149-I166 HydrophobicContact CG2-CG2 4.24Å; V149-F168 HydrophobicContact CG2-CE1 4.46Å; V149-F168 HydrophobicContact CG2-CE2 3.97Å; V149-F168 HydrophobicContact CG2-CZ 3.45Å; V149-F168 VanDerWaalsContact CG2-CZ 3.45Å
150V97.9Very high93Very high62 Ų6250.1 Ų50.138%0.37629%0.288SS..EExtended strand (participates in β ladder)trans-141.8117.6-176179.70000111.8R123 Q165R123-V150 HydrophobicContact CB-CG2 4.13Å; R123-V150 HydrophobicContact CG-CG2 3.84Å; V150-Q165 PolarHBondContact N-O 2.75Å; V150-Q165 PolarHBondContact O-N 3Å
151P96.9Very high93Very high62 Ų6248 Ų4840%0.40328%0.278SS..SBendcis-72.1154.3-1632.9-35.3000111.4D122 A164D122-P151 WeakPolarHBondContact O-CA 3.27Å; P151-A164 VanDerWaalsContact O-CB 3.29Å; P151-A164 WeakPolarHBondContact O-CB 3.39Å
152W95.4Very high92.9Very high24 Ų2446.8 Ų46.89%0.09127%0.269CS..BIsolated β-bridgetrans-97.4101.9173.2-177.662.2000110.7I101 L117 K120 A121 L124 V149 P154 V159I101-W152 HydrophobicContact CD1-CE3 4.19Å; I101-W152 HydrophobicContact CD1-CZ3 3.65Å; L117-W152 HydrophobicContact CD1-CH2 3.8Å; L117-W152 HydrophobicContact CD1-CZ2 3.49Å; L117-W152 VanDerWaalsContact CD1-CZ2 3.49Å; K120-W152 WeakPolarHBondContact CA-O 3.32Å; A121-W152 HydrophobicContact CB-CE3 3.99Å; A121-W152 PolarHBondContact N-O 2.75Å; A121-W152 CarbonylContact O-C 3.57Å; A121-W152 PolarHBondContact O-N 2.88Å; L124-W152 HydrophobicContact CB-CB 3.58Å; L124-W152 HydrophobicContact CB-CD2 3.78Å; L124-W152 HydrophobicContact CB-CE3 4.2Å; L124-W152 HydrophobicContact CB-CG 3.5Å; L124-W152 HydrophobicContact CD2-CD2 3.89Å; L124-W152 HydrophobicContact CD2-CG 3.96Å; L124-W152 HydrophobicContact CD2-CZ2 4.14Å; L124-W152 HydrophobicContact CG-CD2 4.31Å; L124-W152 HydrophobicContact CG-CG 4.34Å; V149-W152 HydrophobicContact CB-CB 4.27Å; V149-W152 HydrophobicContact CG1-CB 4.34Å; W152-P154 HydrophobicContact CD2-CG 4.34Å; W152-P154 HydrophobicContact CH2-CG 4.03Å; W152-P154 HydrophobicContact CZ2-CB 4.18Å; W152-P154 HydrophobicContact CZ2-CG 3.75Å; W152-P154 HydrophobicContact CZ3-CG 4.39Å; W152-V159 PolarHBondContact NE1-O 2.79Å
153S93.6Very high92.9Very high46 Ų4653.3 Ų53.332%0.32230%0.296SS..BIsolated β-bridgetrans-127.177-179.7-178.30000110.6G161S153-G161 WeakPolarHBondContact O-CA 3.22Å
154P90.6Very high92.9Very high14 Ų1447.7 Ų47.79%0.09127%0.27CS..  trans-60.9145.9-174.826-35.1000112.6L117 F119 W152 V159L117-P154 HydrophobicContact CB-CB 4.19Å; L117-P154 HydrophobicContact CB-CG 3.8Å; L117-P154 HydrophobicContact CD1-CB 4.15Å; L117-P154 HydrophobicContact CD1-CG 4.24Å; F119-P154 WeakPolarHBondContact O-CG 3.41Å; W152-P154 HydrophobicContact CD2-CG 4.34Å; W152-P154 HydrophobicContact CH2-CG 4.03Å; W152-P154 HydrophobicContact CZ2-CB 4.18Å; W152-P154 HydrophobicContact CZ2-CG 3.75Å; W152-P154 HydrophobicContact CZ3-CG 4.39Å; P154-V159 WeakPolarHBondContact CB-O 3.11Å
155K87.3Confident92.9Very high104 Ų10446.9 Ų46.945%0.45227%0.272SS..BIsolated β-bridgetrans-132.2164.8168.9-66.2-176.7-175.7162.60109.7G157 K158 T162K155-G157 PolarHBondContact O-N 2.77Å; K155-K158 HydrophobicContact CB-CB 4.35Å; K155-K158 PolarHBondContact N-O 2.94Å; K155-K158 CarbonylContact O-C 3.58Å; K155-K158 VanDerWaalsContact O-C 3.23Å; K155-K158 PolarHBondContact O-N 2.82Å; K155-T162 HydrophobicContact CD-CG2 3.84Å; K155-T162 PolarHBondContact NZ-OG1 2.87Å; K155-T162 VanDerWaalsContact NZ-OG1 3.11Å
156A81.6Confident92.9Very high66 Ų6647.1 Ų47.155%0.54527%0.273SS..THydrogen-bonded Turntrans-51.5127.2172.600000110.5K158A156-K158 PolarHBondContact O-N 3.24Å; A156-K158 VanDerWaalsContact O-N 3.11Å
157G80.1Confident92.9Very high48 Ų4849.9 Ų49.950%0.49528%0.284SS..THydrogen-bonded Turntrans68-0.5-176.700000116K155K155-G157 PolarHBondContact O-N 2.77Å
158K86.2Confident92.9Very high82 Ų8250.4 Ų50.436%0.35728%0.28SS..BIsolated β-bridgetrans-135.369.8179.5-60.6-69.6-173.2172.80109.4K155 A156 L160 G161 T162 D192K155-K158 HydrophobicContact CB-CB 4.35Å; K155-K158 PolarHBondContact N-O 2.94Å; K155-K158 CarbonylContact O-C 3.58Å; K155-K158 VanDerWaalsContact O-C 3.23Å; K155-K158 PolarHBondContact O-N 2.82Å; A156-K158 PolarHBondContact O-N 3.24Å; A156-K158 VanDerWaalsContact O-N 3.11Å; K158-L160 VanDerWaalsContact C-N 3.28Å; K158-L160 PolarHBondContact O-N 2.77Å; K158-G161 WeakPolarHBondContact O-CA 3.36Å; K158-G161 PolarHBondContact O-N 2.82Å; K158-T162 HydrophobicContact CB-CG2 4.32Å; K158-T162 HydrophobicContact CG-CG2 4.26Å; K158-D192 WeakPolarHBondContact CE-OD1 3.34Å; K158-D192 IonicContact NZ-OD1 3.77Å; K158-D192 PolarHBondContact NZ-OD1 2.82Å
159V85.7Confident93Very high33 Ų3352 Ų5220%0.229%0.289CS..THydrogen-bonded Turntrans-61-27-173.9-65.60000115.1L110 T114 W152 P154L110-V159 HydrophobicContact CD1-CB 3.97Å; L110-V159 HydrophobicContact CD1-CG1 4.19Å; L110-V159 HydrophobicContact CD1-CG2 3.59Å; T114-V159 HydrophobicContact CG2-CG1 4.48Å; T114-V159 WeakPolarHBondContact OG1-CG1 3.44Å; W152-V159 PolarHBondContact NE1-O 2.79Å; P154-V159 WeakPolarHBondContact CB-O 3.11Å
160L90Very high93Very high49 Ų4952.4 Ų52.426%0.25729%0.292SS..THydrogen-bonded Turntrans-87.9-10.7173.9-53.1-174.9000112.2V149 K158 I166 F168 I189V149-L160 HydrophobicContact CG1-CB 4.49Å; V149-L160 HydrophobicContact CG2-CD2 4.07Å; K158-L160 VanDerWaalsContact C-N 3.28Å; K158-L160 PolarHBondContact O-N 2.77Å; L160-I166 HydrophobicContact CD1-CG2 4.4Å; L160-F168 HydrophobicContact CD1-CE2 4.43Å; L160-I189 HydrophobicContact CB-CD1 3.88Å; L160-I189 HydrophobicContact CD1-CD1 3.97Å
161G91.7Very high93Very high3 Ų349.9 Ų49.93%0.03128%0.278CS..BIsolated β-bridgetrans99.4178.6-174.700000113.8S153 K158S153-G161 WeakPolarHBondContact O-CA 3.22Å; K158-G161 WeakPolarHBondContact O-CA 3.36Å; K158-G161 PolarHBondContact O-N 2.82Å
162T93Very high93.1Very high27 Ų2748.4 Ų48.417%0.16627%0.27CS..SBendtrans-101.3-5.9-178.956.10000113.1K155 K158 N191K155-T162 HydrophobicContact CD-CG2 3.84Å; K155-T162 PolarHBondContact NZ-OG1 2.87Å; K155-T162 VanDerWaalsContact NZ-OG1 3.11Å; K158-T162 HydrophobicContact CB-CG2 4.32Å; K158-T162 HydrophobicContact CG-CG2 4.26Å; T162-N191 WeakPolarHBondContact O-CA 3.33Å; T162-N191 PolarHBondContact O-N 3.41Å
163K97Very high93.1Very high142 Ų14248.8 Ų48.862%0.61727%0.273SS*.EExtended strand (participates in β ladder)trans-154104.7175.5-171.5169.3-176.21690109.4I189K163-I189 CarbonylContact C-O 3.57Å; K163-I189 VanDerWaalsContact CA-O 3.24Å; K163-I189 WeakPolarHBondContact CA-O 3.39Å
164A97.4Very high93.2Very high4 Ų448.1 Ų48.13%0.03327%0.269CS..EExtended strand (participates in β ladder)trans-158.3150.3-173.500000112.4V149 P151 S188 I189V149-A164 HydrophobicContact CG1-CB 3.49Å; V149-A164 VanDerWaalsContact CG1-CB 3.49Å; P151-A164 VanDerWaalsContact O-CB 3.29Å; P151-A164 WeakPolarHBondContact O-CB 3.39Å; A164-S188 CarbonylContact O-C 3.47Å; A164-S188 WeakPolarHBondContact O-CA 3.45Å; A164-S188 WeakPolarHBondContact O-CB 3.47Å; A164-I189 PolarHBondContact N-O 3.38Å; A164-I189 PolarHBondContact O-N 2.84Å
165Q98.4Very high93.2Very high118 Ų11850.2 Ų50.255%0.55128%0.279SS*.EExtended strand (participates in β ladder)trans-85142.4159.8-59.5-60.4-4700108.7V149 V150 G187V149-Q165 CarbonylContact C-O 3.5Å; V149-Q165 VanDerWaalsContact CA-O 3.31Å; V149-Q165 WeakPolarHBondContact CA-O 3.27Å; V150-Q165 PolarHBondContact N-O 2.75Å; V150-Q165 PolarHBondContact O-N 3Å; Q165-G187 CarbonylContact C-O 3.53Å; Q165-G187 WeakPolarHBondContact CA-O 3.45Å; Q165-G187 PolarHBondContact OE1-O 3.23Å
166I97.8Very high93.2Very high16 Ų1648.5 Ų48.58%0.08228%0.275CS..EExtended strand (participates in β ladder)trans-127139.6178.361.5171000109.6V149 L160 F168 I185 E186 G187 I189V149-I166 HydrophobicContact CG1-CG2 4.27Å; V149-I166 HydrophobicContact CG2-CG2 4.24Å; L160-I166 HydrophobicContact CD1-CG2 4.4Å; I166-F168 HydrophobicContact CB-CD2 4.14Å; I166-F168 HydrophobicContact CB-CE2 3.88Å; I166-F168 HydrophobicContact CG2-CE2 4.13Å; I166-I185 HydrophobicContact CD1-CG2 4.32Å; I166-E186 CarbonylContact O-C 3.59Å; I166-E186 WeakPolarHBondContact O-CA 3.48Å; I166-G187 PolarHBondContact N-O 2.87Å; I166-G187 PolarHBondContact O-N 2.74Å; I166-I189 HydrophobicContact CG2-CD1 4.05Å; I166-I189 HydrophobicContact CG2-CG1 4.46Å
167Q98.2Very high93.3Very high110 Ų11051.3 Ų51.351%0.51428%0.28SS..EExtended strand (participates in β ladder)trans-145.7113.7171.3176.7173.230.200107.2G147 G148 I185 E186G147-Q167 CarbonylContact C-O 3.55Å; G147-Q167 WeakPolarHBondContact CA-O 3.33Å; G148-Q167 PolarHBondContact N-O 2.9Å; G148-Q167 PolarHBondContact O-N 2.62Å; Q167-I185 CarbonylContact C-O 3.59Å; Q167-I185 WeakPolarHBondContact CA-O 3.35Å; Q167-E186 HydrophobicContact CG-CG 4.1Å; Q167-E186 PolarHBondContact NE2-OE1 2.86Å
168F97.6Very high93.8Very high34 Ų3453.1 Ų53.115%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-134.4142.9-177.6-67.6-70.8000110.8L126 V145 N146 V149 L160 I166 L184 I185L126-F168 HydrophobicContact CD1-CD1 4.36Å; L126-F168 HydrophobicContact CD1-CE1 3.75Å; L126-F168 HydrophobicContact CG-CE1 4.3Å; V145-F168 HydrophobicContact CG1-CD1 4.26Å; N146-F168 CarbonylContact O-C 3.47Å; N146-F168 VanDerWaalsContact O-CA 3.3Å; N146-F168 WeakPolarHBondContact O-CA 3.17Å; V149-F168 HydrophobicContact CG2-CE1 4.46Å; V149-F168 HydrophobicContact CG2-CE2 3.97Å; V149-F168 HydrophobicContact CG2-CZ 3.45Å; V149-F168 VanDerWaalsContact CG2-CZ 3.45Å; L160-F168 HydrophobicContact CD1-CE2 4.43Å; I166-F168 HydrophobicContact CB-CD2 4.14Å; I166-F168 HydrophobicContact CB-CE2 3.88Å; I166-F168 HydrophobicContact CG2-CE2 4.13Å; F168-L184 CarbonylContact O-C 3.59Å; F168-L184 WeakPolarHBondContact O-CA 3.49Å; F168-I185 PolarHBondContact N-O 2.77Å; F168-I185 PolarHBondContact O-N 2.88Å
169S98.4Very high94.2Very high48 Ų4853.6 Ų53.634%0.33629%0.293SS..EExtended strand (participates in β ladder)trans-124.1151.3161.965.20000110.2V145 N146 V183V145-S169 CarbonylContact C-O 3.57Å; V145-S169 VanDerWaalsContact CA-O 3.24Å; V145-S169 WeakPolarHBondContact CA-O 3.3Å; N146-S169 PolarHBondContact N-O 2.79Å; N146-S169 PolarHBondContact O-N 3.11Å; S169-V183 CarbonylContact C-O 3.57Å; S169-V183 WeakPolarHBondContact CA-O 3.38Å; S169-V183 WeakPolarHBondContact CB-O 3.43Å
170A98.2Very high94.7Very high9 Ų952.5 Ų52.57%0.07429%0.288CS..EExtended strand (participates in β ladder)trans-139.8137.5175.600000110.3A142 V145 S172 V183A142-A170 HydrophobicContact CB-CB 4.22Å; V145-A170 HydrophobicContact CG2-CB 4.07Å; A170-S172 VanDerWaalsContact C-N 3.27Å; A170-S172 PolarHBondContact O-N 2.93Å; A170-V183 HydrophobicContact CB-CB 4.25Å; A170-V183 PolarHBondContact N-O 2.84Å; A170-V183 PolarHBondContact O-N 2.85Å
171G98.2Very high95.1Very high8 Ų853.3 Ų53.38%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-67.4-31.9175.100000112.6Q143 R144 N182Q143-G171 PolarHBondContact O-N 2.84Å; R144-G171 VanDerWaalsContact NH2-CA 3.35Å; R144-G171 PolarHBondContact NH2-O 3.22Å; R144-G171 PolarHBondContact O-N 2.77Å; G171-N182 PolarHBondContact O-N 3.41Å
172S97.9Very high95.4Very high32 Ų3258 Ų5822%0.22432%0.319CS..EExtended strand (participates in β ladder)trans-148.3151.8170.357.10000110.8A142 Q143 A170 A180A142-S172 CarbonylContact C-O 3.53Å; A142-S172 WeakPolarHBondContact CA-O 3.28Å; A142-S172 WeakPolarHBondContact CB-O 3.42Å; Q143-S172 WeakPolarHBondContact CB-OG 3.34Å; Q143-S172 PolarHBondContact N-O 2.87Å; Q143-S172 PolarHBondContact O-N 3.08Å; A170-S172 VanDerWaalsContact C-N 3.27Å; A170-S172 PolarHBondContact O-N 2.93Å; S172-A180 CarbonylContact C-O 3.48Å; S172-A180 WeakPolarHBondContact CA-O 3.47Å
173L96.7Very high95.7Very high31 Ų3157.2 Ų57.216%0.16231%0.314CS..EExtended strand (participates in β ladder)trans-146.9141.8178.3178.7140.4000108.9L140 S141 A142 L175 P179 A180 V183L140-L173 HydrophobicContact CD1-CD1 3.59Å; L140-L173 HydrophobicContact CD1-CD2 4.21Å; L140-L173 HydrophobicContact CD1-CG 3.71Å; S141-L173 CarbonylContact O-C 3.23Å; S141-L173 VanDerWaalsContact O-CA 3.25Å; S141-L173 WeakPolarHBondContact O-CA 3.3Å; A142-L173 HydrophobicContact CB-CB 4.34Å; A142-L173 HydrophobicContact CB-CD1 4.35Å; A142-L173 HydrophobicContact CB-CG 4.48Å; L173-L175 HydrophobicContact CD2-CB 3.88Å; L173-P179 CarbonylContact O-C 3.53Å; L173-A180 HydrophobicContact CB-CB 4.4Å; L173-A180 HydrophobicContact CD2-CB 4.23Å; L173-A180 PolarHBondContact N-O 2.7Å; L173-A180 PolarHBondContact O-N 2.7Å; L173-A180 VanDerWaalsContact O-O 3.09Å; L173-V183 HydrophobicContact CB-CG2 3.74Å; L173-V183 HydrophobicContact CD1-CG1 4.35Å
174S95.1Very high95.7Very high32 Ų3253.1 Ų53.122%0.22430%0.299CS..EExtended strand (participates in β ladder)trans-122.1125166.9-175.30000107.7L140 S141 V178L140-S174 WeakPolarHBondContact CA-O 3.45Å; S141-S174 PolarHBondContact N-O 2.84Å; S141-S174 PolarHBondContact O-N 2.69Å; S141-S174 WeakPolarHBondContact OG-CB 3.19Å; S174-V178 WeakPolarHBondContact CA-O 3.33Å
175L90.5Very high95.8Very high58 Ų5855 Ų5530%0.30431%0.308SS..EExtended strand (participates in β ladder)trans-122.8114.2177.5-17666.1000109W138 K139 L140 L173 D177 V178W138-L175 HydrophobicContact CB-CD1 3.94Å; W138-L175 HydrophobicContact CE3-CD1 3.81Å; W138-L175 HydrophobicContact CE3-CD2 3.91Å; W138-L175 HydrophobicContact CE3-CG 4Å; W138-L175 HydrophobicContact CZ3-CD2 4.05Å; K139-L175 CarbonylContact O-C 3.53Å; K139-L175 WeakPolarHBondContact O-CA 3.23Å; L140-L175 HydrophobicContact CB-CD1 4.48Å; L140-L175 HydrophobicContact CD1-CD1 4.26Å; L173-L175 HydrophobicContact CD2-CB 3.88Å; L175-D177 PolarHBondContact O-N 2.85Å; L175-V178 PolarHBondContact N-O 3.14Å; L175-V178 VanDerWaalsContact O-CB 3.3Å; L175-V178 WeakPolarHBondContact O-CB 3.29Å; L175-V178 PolarHBondContact O-N 2.75Å
176N87Confident95.8Very high68 Ų6851.6 Ų51.636%0.36429%0.292SS..THydrogen-bonded Turntrans48.746.2-177.1-63.5-26.1000112K139 V178K139-N176 PolarHBondContact N-OD1 3.26Å; K139-N176 PolarHBondContact O-N 2.84Å; N176-V178 PolarHBondContact O-N 2.74Å
177D84.8Confident95.8Very high125 Ų12551 Ų5167%0.66829%0.289SS*.THydrogen-bonded Turntrans67.18.3-178.5-50-54.7000115.2L175 P179L175-D177 PolarHBondContact O-N 2.85Å; D177-P179 VanDerWaalsContact O-CD 3.28Å; D177-P179 WeakPolarHBondContact O-CD 3.42Å
178V89Confident95.8Very high86 Ų8646.8 Ų46.852%0.52127%0.272SS..EExtended strand (participates in β ladder)trans-90.3110170.6-175.60000109.3S174 L175 N176S174-V178 WeakPolarHBondContact CA-O 3.33Å; L175-V178 PolarHBondContact N-O 3.14Å; L175-V178 VanDerWaalsContact O-CB 3.3Å; L175-V178 WeakPolarHBondContact O-CB 3.29Å; L175-V178 PolarHBondContact O-N 2.75Å; N176-V178 PolarHBondContact O-N 2.74Å
179P95.3Very high95.8Very high93 Ų9346.2 Ų46.260%0.60427%0.27SS*.EExtended strand (participates in β ladder)trans-77.2142.5178.732-34.9000111.5L173 D177L173-P179 CarbonylContact O-C 3.53Å; D177-P179 VanDerWaalsContact O-CD 3.28Å; D177-P179 WeakPolarHBondContact O-CD 3.42Å
180A97.2Very high95.7Very high10 Ų1047.2 Ų47.28%0.08327%0.272CS..EExtended strand (participates in β ladder)trans-138.1150.6175.100000110.2S172 L173 V183 A201 D202 I203S172-A180 CarbonylContact C-O 3.48Å; S172-A180 WeakPolarHBondContact CA-O 3.47Å; L173-A180 HydrophobicContact CB-CB 4.4Å; L173-A180 HydrophobicContact CD2-CB 4.23Å; L173-A180 PolarHBondContact N-O 2.7Å; L173-A180 PolarHBondContact O-N 2.7Å; L173-A180 VanDerWaalsContact O-O 3.09Å; A180-V183 HydrophobicContact CB-CG2 3.85Å; A180-A201 HydrophobicContact CB-CB 4.23Å; A180-D202 CarbonylContact C-O 3.52Å; A180-D202 VanDerWaalsContact CA-O 3.25Å; A180-D202 WeakPolarHBondContact CA-O 3.44Å; A180-I203 HydrophobicContact CB-CG2 3.73Å
181T98.2Very high95.5Very high66 Ų6651 Ų5141%0.40529%0.291SS..EExtended strand (participates in β ladder)trans-129.1163.4173.153.20000110.8V183 D202T181-V183 VanDerWaalsContact C-N 3.25Å; T181-V183 PolarHBondContact O-N 2.76Å; T181-D202 PolarHBondContact N-O 3.32Å; T181-D202 PolarHBondContact O-N 3.21Å; T181-D202 WeakPolarHBondContact OG1-CB 3.45Å
182N98Very high95.2Very high101 Ų10154.3 Ų54.354%0.5431%0.307SS..EExtended strand (participates in β ladder)trans51.645.2178.3-57.6-38.2000112.9G171 D202G171-N182 PolarHBondContact O-N 3.41Å; N182-D202 PolarHBondContact ND2-OD2 2.73Å
183V98.3Very high95.1Very high10 Ų1058.5 Ų58.56%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-76.1140.2-174.9-178.70000110.3S169 A170 L173 A180 T181 I185 G200 A201S169-V183 CarbonylContact C-O 3.57Å; S169-V183 WeakPolarHBondContact CA-O 3.38Å; S169-V183 WeakPolarHBondContact CB-O 3.43Å; A170-V183 HydrophobicContact CB-CB 4.25Å; A170-V183 PolarHBondContact N-O 2.84Å; A170-V183 PolarHBondContact O-N 2.85Å; L173-V183 HydrophobicContact CB-CG2 3.74Å; L173-V183 HydrophobicContact CD1-CG1 4.35Å; A180-V183 HydrophobicContact CB-CG2 3.85Å; T181-V183 VanDerWaalsContact C-N 3.25Å; T181-V183 PolarHBondContact O-N 2.76Å; V183-I185 HydrophobicContact CG1-CD1 4.01Å; V183-I185 HydrophobicContact CG1-CG1 3.9Å; V183-G200 CarbonylContact C-O 3.57Å; V183-G200 VanDerWaalsContact CA-O 3.31Å; V183-G200 WeakPolarHBondContact CA-O 3.05Å; V183-A201 HydrophobicContact CG2-CB 3.99Å
184L98.4Very high95.1Very high56 Ų5659 Ų5929%0.29332%0.322SS..EExtended strand (participates in β ladder)trans-133.3129.2169.8178.366.2000108.9F168 E186 L199 G200F168-L184 CarbonylContact O-C 3.59Å; F168-L184 WeakPolarHBondContact O-CA 3.49Å; L184-E186 HydrophobicContact CD1-CG 3.97Å; L184-E186 HydrophobicContact CG-CG 4.16Å; L184-L199 CarbonylContact O-C 3.47Å; L184-L199 WeakPolarHBondContact O-CA 3.43Å; L184-G200 PolarHBondContact N-O 3.07Å; L184-G200 PolarHBondContact O-N 2.86Å
185I97.8Very high95.2Very high44 Ų4459.1 Ų59.123%0.22632%0.322CS..EExtended strand (participates in β ladder)trans-135.8116.5177.5-60.4172.3000107.9I166 Q167 F168 V183 L196 N198 L199I166-I185 HydrophobicContact CD1-CG2 4.32Å; Q167-I185 CarbonylContact C-O 3.59Å; Q167-I185 WeakPolarHBondContact CA-O 3.35Å; F168-I185 PolarHBondContact N-O 2.77Å; F168-I185 PolarHBondContact O-N 2.88Å; V183-I185 HydrophobicContact CG1-CD1 4.01Å; V183-I185 HydrophobicContact CG1-CG1 3.9Å; I185-L196 HydrophobicContact CG2-CD2 3.95Å; I185-N198 CarbonylContact C-O 3.36Å; I185-N198 WeakPolarHBondContact CA-O 3.28Å; I185-L199 HydrophobicContact CG1-CD1 3.93Å
186E98.5Very high95.6Very high47 Ų4757.6 Ų57.622%0.2231%0.313CS..EExtended strand (participates in β ladder)trans-126.5141174.6-42.9-176.1132.900109I166 Q167 L184 L196 T197 N198I166-E186 CarbonylContact O-C 3.59Å; I166-E186 WeakPolarHBondContact O-CA 3.48Å; Q167-E186 HydrophobicContact CG-CG 4.1Å; Q167-E186 PolarHBondContact NE2-OE1 2.86Å; L184-E186 HydrophobicContact CD1-CG 3.97Å; L184-E186 HydrophobicContact CG-CG 4.16Å; E186-L196 CarbonylContact O-C 3.54Å; E186-L196 WeakPolarHBondContact O-CA 3.3Å; E186-T197 PolarHBondContact O-N 3.33Å; E186-T197 PolarHBondContact O-OG1 2.61Å; E186-N198 HydrophobicContact CB-CB 3.9Å; E186-N198 HydrophobicContact CG-CB 3.97Å; E186-N198 PolarHBondContact N-O 2.94Å; E186-N198 PolarHBondContact O-N 2.98Å; E186-N198 VanDerWaalsContact O-N 3.17Å; E186-N198 VanDerWaalsContact OE2-CB 3.26Å; E186-N198 WeakPolarHBondContact OE2-CB 2.99Å; E186-N198 PolarHBondContact OE2-ND2 2.92Å
187G98.3Very high96.1Very high2 Ų258.4 Ų58.42%0.02132%0.321CS..EExtended strand (participates in β ladder)trans168.8-158.7-175.300000114.6Q165 I166 T195Q165-G187 CarbonylContact C-O 3.53Å; Q165-G187 WeakPolarHBondContact CA-O 3.45Å; Q165-G187 PolarHBondContact OE1-O 3.23Å; I166-G187 PolarHBondContact N-O 2.87Å; I166-G187 PolarHBondContact O-N 2.74Å; G187-T195 CarbonylContact C-O 3.46Å; G187-T195 WeakPolarHBondContact CA-O 3.18Å
188S98.3Very high96.8Very high23 Ų2355.3 Ų55.316%0.16130%0.304CS..EExtended strand (participates in β ladder)trans-145.9154.3179.871.30000112.5A164 V194 T195A164-S188 CarbonylContact O-C 3.47Å; A164-S188 WeakPolarHBondContact O-CA 3.45Å; A164-S188 WeakPolarHBondContact O-CB 3.47Å; S188-V194 CarbonylContact O-C 3.58Å; S188-V194 WeakPolarHBondContact O-CA 3.41Å; S188-T195 PolarHBondContact N-O 3.42Å; S188-T195 PolarHBondContact O-N 2.7Å
189I96.9Very high97.2Very high21 Ų2153.1 Ų53.111%0.10829%0.29CS..EExtended strand (participates in β ladder)trans-113.1130.4172.3-60.4169.4000106.6L160 K163 A164 I166 R193 V194L160-I189 HydrophobicContact CB-CD1 3.88Å; L160-I189 HydrophobicContact CD1-CD1 3.97Å; K163-I189 CarbonylContact C-O 3.57Å; K163-I189 VanDerWaalsContact CA-O 3.24Å; K163-I189 WeakPolarHBondContact CA-O 3.39Å; A164-I189 PolarHBondContact N-O 3.38Å; A164-I189 PolarHBondContact O-N 2.84Å; I166-I189 HydrophobicContact CG2-CD1 4.05Å; I166-I189 HydrophobicContact CG2-CG1 4.46Å; I189-R193 WeakPolarHBondContact CA-O 2.97Å; I189-V194 HydrophobicContact CG1-CG2 4.49Å
190D96.8Very high97.3Very high69 Ų6949.3 Ų49.337%0.36927%0.267SS..EExtended strand (participates in β ladder)trans-135.395.8168.8-171.22.4000109D192 R193D190-D192 PolarHBondContact O-N 3.3Å; D190-D192 VanDerWaalsContact O-N 3.16Å; D190-R193 PolarHBondContact N-O 2.98Å; D190-R193 VanDerWaalsContact O-CB 3.3Å; D190-R193 WeakPolarHBondContact O-CB 3.37Å; D190-R193 PolarHBondContact O-N 3.47Å
191N93.8Very high97.4Very high88 Ų8849.4 Ų49.447%0.47127%0.268SS..THydrogen-bonded Turntrans55-107.6-169.6-60.5-74.5000111.8T162T162-N191 WeakPolarHBondContact O-CA 3.33Å; T162-N191 PolarHBondContact O-N 3.41Å
192D91.4Very high97.4Very high78 Ų7848.9 Ų48.942%0.41726%0.263SS..THydrogen-bonded Turntrans-97.2-0.1177.9-62.7-53000113K158 D190 A216K158-D192 WeakPolarHBondContact CE-OD1 3.34Å; K158-D192 IonicContact NZ-OD1 3.77Å; K158-D192 PolarHBondContact NZ-OD1 2.82Å; D190-D192 PolarHBondContact O-N 3.3Å; D190-D192 VanDerWaalsContact O-N 3.16Å; D192-A216 HydrophobicContact CB-CB 3.8Å
193R96.6Very high97.4Very high121 Ų12145.7 Ų45.746%0.45725%0.245SC..EExtended strand (participates in β ladder)trans-88.2132.2171.6-171.4-178.3-63.9174.33.4109.9I189 D190 Q213 R214I189-R193 WeakPolarHBondContact CA-O 2.97Å; D190-R193 PolarHBondContact N-O 2.98Å; D190-R193 VanDerWaalsContact O-CB 3.3Å; D190-R193 WeakPolarHBondContact O-CB 3.37Å; D190-R193 PolarHBondContact O-N 3.47Å; R193-Q213 HydrophobicContact CG-CG 3.95Å; R193-R214 VanDerWaalsContact CA-O 3.31Å; R193-R214 WeakPolarHBondContact CA-O 3.27Å
194V96.6Very high97.2Very high40 Ų4046.9 Ų46.924%0.24226%0.256CS..EExtended strand (participates in β ladder)trans-122.2123173-179.20000107.9S188 I189 L196 Q213 R214S188-V194 CarbonylContact O-C 3.58Å; S188-V194 WeakPolarHBondContact O-CA 3.41Å; I189-V194 HydrophobicContact CG1-CG2 4.49Å; V194-L196 HydrophobicContact CG1-CD2 3.79Å; V194-L196 HydrophobicContact CG1-CG 4.34Å; V194-Q213 CarbonylContact O-C 3.57Å; V194-Q213 VanDerWaalsContact O-CA 3.27Å; V194-Q213 WeakPolarHBondContact O-CA 3.5Å; V194-R214 HydrophobicContact CB-CB 4.37Å; V194-R214 PolarHBondContact N-O 2.83Å; V194-R214 PolarHBondContact O-N 2.9Å
195T98.3Very high97Very high36 Ų3655.1 Ų55.122%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-110117.6175-52.20000108.2G187 S188 T197G187-T195 CarbonylContact C-O 3.46Å; G187-T195 WeakPolarHBondContact CA-O 3.18Å; S188-T195 PolarHBondContact N-O 3.42Å; S188-T195 PolarHBondContact O-N 2.7Å; T195-T197 HydrophobicContact CG2-CG2 4.15Å
196L98.2Very high97Very high25 Ų2553.2 Ų53.213%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-98.9100.3173.9-53-179.2000107.4I185 E186 V194 N211 A212 W220I185-L196 HydrophobicContact CG2-CD2 3.95Å; E186-L196 CarbonylContact O-C 3.54Å; E186-L196 WeakPolarHBondContact O-CA 3.3Å; V194-L196 HydrophobicContact CG1-CD2 3.79Å; V194-L196 HydrophobicContact CG1-CG 4.34Å; L196-N211 CarbonylContact O-C 3.59Å; L196-N211 VanDerWaalsContact O-CA 3.23Å; L196-N211 WeakPolarHBondContact O-CA 3.49Å; L196-N211 VanDerWaalsContact O-CB 3.26Å; L196-N211 WeakPolarHBondContact O-CB 3.39Å; L196-A212 WeakPolarHBondContact CA-O 3.31Å; L196-A212 WeakPolarHBondContact CB-O 3.25Å; L196-A212 PolarHBondContact N-O 2.72Å; L196-A212 PolarHBondContact O-N 3.1Å; L196-W220 HydrophobicContact CD1-CZ3 4.29Å
197T98.2Very high97Very high86 Ų8653.3 Ų53.353%0.52828%0.278SS..EExtended strand (participates in β ladder)trans-78.1-27.8-17951.20000112.2E186 T195E186-T197 PolarHBondContact O-N 3.33Å; E186-T197 PolarHBondContact O-OG1 2.61Å; T195-T197 HydrophobicContact CG2-CG2 4.15Å
198N98.3Very high97Very high59 Ų5954.5 Ų54.532%0.31628%0.284SS..EExtended strand (participates in β ladder)trans-144.9116.3176.6-168.36000109.2I185 E186I185-N198 CarbonylContact C-O 3.36Å; I185-N198 WeakPolarHBondContact CA-O 3.28Å; E186-N198 HydrophobicContact CB-CB 3.9Å; E186-N198 HydrophobicContact CG-CB 3.97Å; E186-N198 PolarHBondContact N-O 2.94Å; E186-N198 PolarHBondContact O-N 2.98Å; E186-N198 VanDerWaalsContact O-N 3.17Å; E186-N198 VanDerWaalsContact OE2-CB 3.26Å; E186-N198 WeakPolarHBondContact OE2-CB 2.99Å; E186-N198 PolarHBondContact OE2-ND2 2.92Å
199L97.9Very high97Very high41 Ų4156 Ų5622%0.21529%0.293CS..EExtended strand (participates in β ladder)trans-119.8130174.1177.365.7000107.5L184 I185 L208 T209 G210L184-L199 CarbonylContact O-C 3.47Å; L184-L199 WeakPolarHBondContact O-CA 3.43Å; I185-L199 HydrophobicContact CG1-CD1 3.93Å; L199-L208 HydrophobicContact CD2-CD2 3.72Å; L199-L208 HydrophobicContact CG-CD2 3.93Å; L199-T209 CarbonylContact O-C 3.57Å; L199-T209 WeakPolarHBondContact O-CA 3.27Å; L199-G210 WeakPolarHBondContact CB-O 3.32Å; L199-G210 PolarHBondContact N-O 3.38Å; L199-G210 PolarHBondContact O-N 2.99Å
200G98.3Very high97.1Very high12 Ų1255.8 Ų55.812%0.12430%0.295CS..EExtended strand (participates in β ladder)trans-145.9138.3175.700000110.7V183 L184 L208V183-G200 CarbonylContact C-O 3.57Å; V183-G200 VanDerWaalsContact CA-O 3.31Å; V183-G200 WeakPolarHBondContact CA-O 3.05Å; L184-G200 PolarHBondContact N-O 3.07Å; L184-G200 PolarHBondContact O-N 2.86Å; G200-L208 CarbonylContact C-O 3.46Å; G200-L208 VanDerWaalsContact CA-O 3.3Å; G200-L208 WeakPolarHBondContact CA-O 3.46Å
201A98.4Very high97.2Very high13 Ų1354.3 Ų54.311%0.10729%0.287CS..EExtended strand (participates in β ladder)trans-162.8151172.500000110.9A180 V183 I203 L208A180-A201 HydrophobicContact CB-CB 4.23Å; V183-A201 HydrophobicContact CG2-CB 3.99Å; A201-I203 HydrophobicContact CB-CG2 4.06Å; A201-L208 PolarHBondContact N-O 3.13Å; A201-L208 PolarHBondContact O-N 3.27Å
202D98.5Very high97.4Very high55 Ų5550.7 Ų50.729%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-85.9122162-60.6-23.1000108.3A180 T181 N182 G206A180-D202 CarbonylContact C-O 3.52Å; A180-D202 VanDerWaalsContact CA-O 3.25Å; A180-D202 WeakPolarHBondContact CA-O 3.44Å; T181-D202 PolarHBondContact N-O 3.32Å; T181-D202 PolarHBondContact O-N 3.21Å; T181-D202 WeakPolarHBondContact OG1-CB 3.45Å; N182-D202 PolarHBondContact ND2-OD2 2.73Å; D202-G206 CarbonylContact C-O 3.4Å; D202-G206 VanDerWaalsContact CA-O 3.24Å; D202-G206 WeakPolarHBondContact CA-O 3.38Å
203I96.7Very high97.7Very high34 Ų3449 Ų4917%0.17426%0.259CS..EExtended strand (participates in β ladder)trans-135.4141.8-178.659.2158.8000110.1A180 A201 R205 G206 L208 I230A180-I203 HydrophobicContact CB-CG2 3.73Å; A201-I203 HydrophobicContact CB-CG2 4.06Å; I203-R205 PolarHBondContact O-N 2.88Å; I203-G206 PolarHBondContact N-O 2.83Å; I203-G206 CarbonylContact O-C 3.38Å; I203-G206 WeakPolarHBondContact O-CA 3.19Å; I203-G206 PolarHBondContact O-N 2.86Å; I203-G206 VanDerWaalsContact O-O 3.11Å; I203-L208 HydrophobicContact CD1-CB 3.74Å; I203-L208 HydrophobicContact CD1-CD1 3.59Å; I203-L208 HydrophobicContact CD1-CG 4.32Å; I203-L208 HydrophobicContact CG1-CB 3.8Å; I203-I230 HydrophobicContact CD1-CD1 4.04Å; I203-I230 HydrophobicContact CG1-CD1 3.82Å
204A94.9Very high97.7Very high35 Ų3546.2 Ų46.229%0.28925%0.249SC..THydrogen-bonded Turntrans47.741.9174.800000113.3G206 I230 R231 L232A204-G206 PolarHBondContact O-N 2.8Å; A204-G206 VanDerWaalsContact O-N 3.14Å; A204-I230 HydrophobicContact CB-CG2 4.12Å; A204-R231 WeakPolarHBondContact O-CA 3.39Å; A204-R231 PolarHBondContact O-N 3.46Å; A204-L232 HydrophobicContact CB-CD1 4.24Å
205R94.8Very high97.7Very high229 Ų22945.6 Ų45.686%0.86424%0.244SC*.THydrogen-bonded Turntrans64.63-175.7-49.2-179179.9178.71.3116.5I203 R231I203-R205 PolarHBondContact O-N 2.88Å; R205-R231 HydrophobicContact CB-CB 4.27Å; R205-R231 HydrophobicContact CB-CG 4.32Å
206G98Very high97.5Very high4 Ų447.3 Ų47.34%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-115.3-164.2172.600000111.9D202 I203 A204 A228 D229D202-G206 CarbonylContact C-O 3.4Å; D202-G206 VanDerWaalsContact CA-O 3.24Å; D202-G206 WeakPolarHBondContact CA-O 3.38Å; I203-G206 PolarHBondContact N-O 2.83Å; I203-G206 CarbonylContact O-C 3.38Å; I203-G206 WeakPolarHBondContact O-CA 3.19Å; I203-G206 PolarHBondContact O-N 2.86Å; I203-G206 VanDerWaalsContact O-O 3.11Å; A204-G206 PolarHBondContact O-N 2.8Å; A204-G206 VanDerWaalsContact O-N 3.14Å; G206-A228 CarbonylContact C-O 3.56Å; G206-A228 WeakPolarHBondContact CA-O 3.38Å; G206-D229 WeakPolarHBondContact CA-O 3.36Å
207T98.4Very high97.3Very high48 Ų4851.1 Ų51.129%0.29428%0.282SS..EExtended strand (participates in β ladder)trans-120.6144.9-179.463.20000110.8M227 A228T207-M227 CarbonylContact O-C 3.6Å; T207-M227 VanDerWaalsContact O-CA 3.29Å; T207-M227 WeakPolarHBondContact O-CA 3.22Å; T207-A228 PolarHBondContact N-O 2.92Å; T207-A228 PolarHBondContact O-N 2.69Å
208L98.2Very high97Very high28 Ų2847.5 Ų47.515%0.14726%0.261CS..EExtended strand (participates in β ladder)trans-124.1129170.3179.3151.6000108.2L199 G200 A201 I203 L225 R226 M227L199-L208 HydrophobicContact CD2-CD2 3.72Å; L199-L208 HydrophobicContact CG-CD2 3.93Å; G200-L208 CarbonylContact C-O 3.46Å; G200-L208 VanDerWaalsContact CA-O 3.3Å; G200-L208 WeakPolarHBondContact CA-O 3.46Å; A201-L208 PolarHBondContact N-O 3.13Å; A201-L208 PolarHBondContact O-N 3.27Å; I203-L208 HydrophobicContact CD1-CB 3.74Å; I203-L208 HydrophobicContact CD1-CD1 3.59Å; I203-L208 HydrophobicContact CD1-CG 4.32Å; I203-L208 HydrophobicContact CG1-CB 3.8Å; L208-L225 HydrophobicContact CD1-CD1 4.11Å; L208-L225 HydrophobicContact CD2-CD1 3.93Å; L208-L225 HydrophobicContact CG-CD1 3.83Å; L208-R226 CarbonylContact C-O 3.54Å; L208-R226 WeakPolarHBondContact CA-O 3.46Å; L208-M227 HydrophobicContact CD1-CG 4.18Å; L208-M227 HydrophobicContact CD1-SD 4.29Å; L208-M227 HydrophobicContact CG-CG 4.29Å
209T98.6Very high96.9Very high55 Ų5545.1 Ų45.134%0.33725%0.25SC..EExtended strand (participates in β ladder)trans-139.1146.8175.254.50000110.5L199 L225 R226L199-T209 CarbonylContact O-C 3.57Å; L199-T209 WeakPolarHBondContact O-CA 3.27Å; T209-L225 CarbonylContact O-C 3.47Å; T209-R226 PolarHBondContact N-O 2.91Å; T209-R226 PolarHBondContact O-N 3.2Å
210G98.4Very high96.9Very high15 Ų1545.9 Ų45.916%0.15525%0.25CC..EExtended strand (participates in β ladder)trans171.2-167.5177.900000115.3L199 N224L199-G210 WeakPolarHBondContact CB-O 3.32Å; L199-G210 PolarHBondContact N-O 3.38Å; L199-G210 PolarHBondContact O-N 2.99Å; G210-N224 CarbonylContact C-O 3.52Å; G210-N224 WeakPolarHBondContact CA-O 3.27Å
211N98.6Very high96.9Very high38 Ų3848.5 Ų48.520%0.20326%0.259CS..EExtended strand (participates in β ladder)trans-145.4146.517351.643.8000110L196 E223 N224L196-N211 CarbonylContact O-C 3.59Å; L196-N211 VanDerWaalsContact O-CA 3.23Å; L196-N211 WeakPolarHBondContact O-CA 3.49Å; L196-N211 VanDerWaalsContact O-CB 3.26Å; L196-N211 WeakPolarHBondContact O-CB 3.39Å; N211-E223 PolarHBondContact O-N 2.96Å; N211-E223 VanDerWaalsContact OD1-CB 3.23Å; N211-E223 WeakPolarHBondContact OD1-CB 3.36Å; N211-N224 PolarHBondContact N-O 2.86Å; N211-N224 PolarHBondContact OD1-N 2.57Å
212A98.1Very high96.8Very high12 Ų1248.7 Ų48.710%0.09926%0.259CS..EExtended strand (participates in β ladder)trans-157.8154.1-175.900000111.8L196 W220 Q221 V222L196-A212 WeakPolarHBondContact CA-O 3.31Å; L196-A212 WeakPolarHBondContact CB-O 3.25Å; L196-A212 PolarHBondContact N-O 2.72Å; L196-A212 PolarHBondContact O-N 3.1Å; A212-W220 HydrophobicContact CB-CE3 4.06Å; A212-W220 HydrophobicContact CB-CZ3 4.13Å; A212-Q221 CarbonylContact C-O 3.51Å; A212-Q221 WeakPolarHBondContact CA-O 3.31Å; A212-V222 HydrophobicContact CB-CG2 4.06Å
213Q98.1Very high96.8Very high42 Ų4252.2 Ų52.220%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-121.4130.3171.3-177-179.3-61.900109.6R193 V194 N215 W220 Q221R193-Q213 HydrophobicContact CG-CG 3.95Å; V194-Q213 CarbonylContact O-C 3.57Å; V194-Q213 VanDerWaalsContact O-CA 3.27Å; V194-Q213 WeakPolarHBondContact O-CA 3.5Å; Q213-N215 PolarHBondContact NE2-OD1 2.84Å; Q213-W220 CarbonylContact O-C 3.59Å; Q213-W220 WeakPolarHBondContact O-CA 3.42Å; Q213-Q221 HydrophobicContact CB-CB 4.4Å; Q213-Q221 PolarHBondContact N-O 2.81Å; Q213-Q221 PolarHBondContact O-N 2.87Å
214R96.5Very high96.9Very high64 Ų6454 Ų5424%0.24228%0.283CS..EExtended strand (participates in β ladder)trans-95.9124.2165.1-170-176.7-179.9-83.87.8108.8R193 V194 S219 W220R193-R214 VanDerWaalsContact CA-O 3.31Å; R193-R214 WeakPolarHBondContact CA-O 3.27Å; V194-R214 HydrophobicContact CB-CB 4.37Å; V194-R214 PolarHBondContact N-O 2.83Å; V194-R214 PolarHBondContact O-N 2.9Å; R214-S219 CarbonylContact C-O 3.44Å; R214-S219 WeakPolarHBondContact CA-O 3.13Å; R214-W220 HydrophobicContact CB-CD2 3.97Å; R214-W220 HydrophobicContact CB-CE3 3.92Å; R214-W220 HydrophobicContact CB-CH2 3.9Å; R214-W220 HydrophobicContact CB-CZ2 3.93Å; R214-W220 HydrophobicContact CB-CZ3 3.88Å; R214-W220 HydrophobicContact CG-CD2 4.14Å; R214-W220 HydrophobicContact CG-CH2 4.44Å; R214-W220 HydrophobicContact CG-CZ2 3.96Å
215N96.6Very high97.1Very high27 Ų2754.3 Ų54.314%0.14428%0.28CS..  trans-82.7167.5175.9-67.9-42000111.6Q213 D217 G218 S219Q213-N215 PolarHBondContact NE2-OD1 2.84Å; N215-D217 WeakPolarHBondContact CB-OD1 3.39Å; N215-D217 PolarHBondContact O-N 2.8Å; N215-G218 PolarHBondContact O-N 2.76Å; N215-S219 WeakPolarHBondContact CB-OG 3.47Å; N215-S219 PolarHBondContact N-O 2.72Å; N215-S219 PolarHBondContact ND2-OG 2.79Å
216A94.2Very high97.3Very high71 Ų7149.1 Ų49.159%0.58726%0.26SS*.THydrogen-bonded Turntrans-62.4-28.4-178.700000113.4D192 G218D192-A216 HydrophobicContact CB-CB 3.8Å; A216-G218 PolarHBondContact O-N 3.08Å
217D94.1Very high97.3Very high106 Ų10651.1 Ų51.157%0.56727%0.269SS*.THydrogen-bonded Turntrans-79.1-2.3175.568.5-15.5000113.4N215 S219N215-D217 WeakPolarHBondContact CB-OD1 3.39Å; N215-D217 PolarHBondContact O-N 2.8Å; D217-S219 VanDerWaalsContact C-N 3.35Å; D217-S219 VanDerWaalsContact OD1-CB 3.28Å; D217-S219 WeakPolarHBondContact OD1-CB 3.49Å; D217-S219 PolarHBondContact OD1-N 3.08Å; D217-S219 PolarHBondContact OD1-OG 3.21Å; D217-S219 PolarHBondContact OD2-OG 2.85Å
218G92.4Very high97.3Very high9 Ų948.9 Ų48.99%0.09326%0.256CS..SBendtrans86.40.4-176.400000114.5N215 A216N215-G218 PolarHBondContact O-N 2.76Å; A216-G218 PolarHBondContact O-N 3.08Å
219S95.9Very high97.3Very high10 Ų1051.1 Ų51.17%0.0727%0.267CS..  trans-67.6149.4171.463.50000111.6R214 N215 D217 S250R214-S219 CarbonylContact C-O 3.44Å; R214-S219 WeakPolarHBondContact CA-O 3.13Å; N215-S219 WeakPolarHBondContact CB-OG 3.47Å; N215-S219 PolarHBondContact N-O 2.72Å; N215-S219 PolarHBondContact ND2-OG 2.79Å; D217-S219 VanDerWaalsContact C-N 3.35Å; D217-S219 VanDerWaalsContact OD1-CB 3.28Å; D217-S219 WeakPolarHBondContact OD1-CB 3.49Å; D217-S219 PolarHBondContact OD1-N 3.08Å; D217-S219 PolarHBondContact OD1-OG 3.21Å; D217-S219 PolarHBondContact OD2-OG 2.85Å; S219-S250 CarbonylContact C-O 3.52Å; S219-S250 VanDerWaalsContact CA-O 3.27Å; S219-S250 WeakPolarHBondContact CA-O 3.34Å; S219-S250 WeakPolarHBondContact CB-O 3.41Å
220W96.8Very high97.3Very high57 Ų5749 Ų4922%0.21625%0.254CS..EExtended strand (participates in β ladder)trans-114.2137.1179.2-7689.7000111L196 A212 Q213 R214 S250 L251 Q252L196-W220 HydrophobicContact CD1-CZ3 4.29Å; A212-W220 HydrophobicContact CB-CE3 4.06Å; A212-W220 HydrophobicContact CB-CZ3 4.13Å; Q213-W220 CarbonylContact O-C 3.59Å; Q213-W220 WeakPolarHBondContact O-CA 3.42Å; R214-W220 HydrophobicContact CB-CD2 3.97Å; R214-W220 HydrophobicContact CB-CE3 3.92Å; R214-W220 HydrophobicContact CB-CH2 3.9Å; R214-W220 HydrophobicContact CB-CZ2 3.93Å; R214-W220 HydrophobicContact CB-CZ3 3.88Å; R214-W220 HydrophobicContact CG-CD2 4.14Å; R214-W220 HydrophobicContact CG-CH2 4.44Å; R214-W220 HydrophobicContact CG-CZ2 3.96Å; W220-S250 PolarHBondContact N-O 2.87Å; W220-L251 HydrophobicContact CB-CD1 3.76Å; W220-L251 CarbonylContact O-C 3.57Å; W220-L251 WeakPolarHBondContact O-CA 3.13Å; W220-Q252 PolarHBondContact O-N 2.75Å
221Q97.9Very high97.2Very high66 Ų6651.6 Ų51.631%0.30826%0.259SS..EExtended strand (participates in β ladder)trans-119.9103.9171.3-63.9-177.7-43.600108.2A212 Q213 Q252A212-Q221 CarbonylContact C-O 3.51Å; A212-Q221 WeakPolarHBondContact CA-O 3.31Å; Q213-Q221 HydrophobicContact CB-CB 4.4Å; Q213-Q221 PolarHBondContact N-O 2.81Å; Q213-Q221 PolarHBondContact O-N 2.87Å; Q221-Q252 CarbonylContact C-O 3.58Å; Q221-Q252 WeakPolarHBondContact CA-O 3.39Å; Q221-Q252 HydrophobicContact CG-CB 4.23Å
222V98.1Very high97.1Very high18 Ų1852.9 Ų52.911%0.10927%0.266CS..EExtended strand (participates in β ladder)trans-95.4108.2177177.90000107.2A212 L225 L251 Q252 I253 G254A212-V222 HydrophobicContact CB-CG2 4.06Å; V222-L225 HydrophobicContact CG1-CB 3.53Å; V222-L225 HydrophobicContact CG1-CD2 4.46Å; V222-L251 HydrophobicContact CG2-CD1 3.88Å; V222-Q252 PolarHBondContact N-O 2.69Å; V222-I253 CarbonylContact O-C 3.59Å; V222-I253 WeakPolarHBondContact O-CA 3.29Å; V222-G254 PolarHBondContact O-N 3.1Å
223E98.2Very high96.9Very high129 Ų12959.9 Ų59.960%0.60330%0.296SS*.EExtended strand (participates in β ladder)trans-75.7-47.7179.2-38.9-178142.700110N211 G254 R255N211-E223 PolarHBondContact O-N 2.96Å; N211-E223 VanDerWaalsContact OD1-CB 3.23Å; N211-E223 WeakPolarHBondContact OD1-CB 3.36Å; E223-G254 CarbonylContact O-C 3.45Å; E223-G254 WeakPolarHBondContact O-CA 3.29Å; E223-R255 PolarHBondContact O-N 3.48Å
224N98.3Very high96.8Very high71 Ų7159 Ų5938%0.3830%0.295SS..EExtended strand (participates in β ladder)trans-139.1130.4175-62.8-79.9000110.5G210 N211 R255G210-N224 CarbonylContact C-O 3.52Å; G210-N224 WeakPolarHBondContact CA-O 3.27Å; N211-N224 PolarHBondContact N-O 2.86Å; N211-N224 PolarHBondContact OD1-N 2.57Å; N224-R255 CarbonylContact C-O 3.53Å; N224-R255 WeakPolarHBondContact CA-O 3.46Å; N224-R255 WeakPolarHBondContact OD1-CB 3.37Å
225L98.5Very high96.7Very high42 Ų4265.3 Ų65.322%0.2233%0.327CS..EExtended strand (participates in β ladder)trans-134.4128.8169.6-178.863.6000108.8L208 T209 V222 R255 L256 E257L208-L225 HydrophobicContact CD1-CD1 4.11Å; L208-L225 HydrophobicContact CD2-CD1 3.93Å; L208-L225 HydrophobicContact CG-CD1 3.83Å; T209-L225 CarbonylContact O-C 3.47Å; V222-L225 HydrophobicContact CG1-CB 3.53Å; V222-L225 HydrophobicContact CG1-CD2 4.46Å; L225-R255 PolarHBondContact N-O 2.89Å; L225-L256 HydrophobicContact CB-CD1 4.12Å; L225-L256 HydrophobicContact CD2-CD1 3.96Å; L225-L256 HydrophobicContact CG-CD1 4Å; L225-L256 CarbonylContact O-C 3.6Å; L225-L256 VanDerWaalsContact O-CA 3.29Å; L225-L256 WeakPolarHBondContact O-CA 3.32Å; L225-E257 PolarHBondContact O-N 2.64Å
226R98.6Very high96.7Very high120 Ų12069 Ų6945%0.45334%0.342SS..EExtended strand (participates in β ladder)trans-123.6126.6175.8179.7-178.9178.1-132.4-3.7109L208 T209 E257L208-R226 CarbonylContact C-O 3.54Å; L208-R226 WeakPolarHBondContact CA-O 3.46Å; T209-R226 PolarHBondContact N-O 2.91Å; T209-R226 PolarHBondContact O-N 3.2Å; R226-E257 CarbonylContact C-O 3.48Å; R226-E257 VanDerWaalsContact CA-O 3.27Å; R226-E257 WeakPolarHBondContact CA-O 3.3Å; R226-E257 HydrophobicContact CB-CB 4.43Å; R226-E257 HydrophobicContact CG-CB 4.29Å
227M98.4Very high96.8Very high45 Ų4567.6 Ų67.622%0.22233%0.328CS..EExtended strand (participates in β ladder)trans-118.4128.7171.7-63.4-176.1-6000108.3T207 L208 I230 L256 E257 V258 I259T207-M227 CarbonylContact O-C 3.6Å; T207-M227 VanDerWaalsContact O-CA 3.29Å; T207-M227 WeakPolarHBondContact O-CA 3.22Å; L208-M227 HydrophobicContact CD1-CG 4.18Å; L208-M227 HydrophobicContact CD1-SD 4.29Å; L208-M227 HydrophobicContact CG-CG 4.29Å; M227-I230 HydrophobicContact CB-CD1 4.25Å; M227-I230 HydrophobicContact CB-CG1 3.84Å; M227-L256 HydrophobicContact CE-CD1 3.99Å; M227-E257 PolarHBondContact N-O 2.93Å; M227-V258 HydrophobicContact CE-CG2 3.62Å; M227-V258 CarbonylContact O-C 3.52Å; M227-V258 VanDerWaalsContact O-CA 3.29Å; M227-V258 WeakPolarHBondContact O-CA 3.25Å; M227-I259 PolarHBondContact O-N 3.29Å
228A98.6Very high96.7Very high2 Ų264.7 Ų64.72%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-129.8143.6178.700000110.6G206 T207 I230 I259G206-A228 CarbonylContact C-O 3.56Å; G206-A228 WeakPolarHBondContact CA-O 3.38Å; T207-A228 PolarHBondContact N-O 2.92Å; T207-A228 PolarHBondContact O-N 2.69Å; A228-I230 PolarHBondContact O-N 2.79Å; A228-I230 VanDerWaalsContact O-N 3.12Å; A228-I259 CarbonylContact C-O 3.59Å; A228-I259 VanDerWaalsContact CA-O 3.29Å; A228-I259 WeakPolarHBondContact CA-O 3.27Å; A228-I259 HydrophobicContact CB-CB 4.23Å
229D98.5Very high96.7Very high74 Ų7467.5 Ų67.540%0.39633%0.328SS..SBendtrans60.424.2172-51.3-76.3000113.9G206 R231 I259 D260G206-D229 WeakPolarHBondContact CA-O 3.36Å; D229-R231 PolarHBondContact O-N 2.85Å; D229-R231 PolarHBondContact O-NH1 2.82Å; D229-I259 PolarHBondContact N-O 3.21Å; D229-D260 WeakPolarHBondContact CA-O 3.48Å
230I97.9Very high96.6Very high11 Ų1171.2 Ų71.26%0.05635%0.347CS..  trans-62.8131.8-178.6-58.7-59.8000109.5I203 A204 M227 A228 L232 A261 R262 L263I203-I230 HydrophobicContact CD1-CD1 4.04Å; I203-I230 HydrophobicContact CG1-CD1 3.82Å; A204-I230 HydrophobicContact CB-CG2 4.12Å; M227-I230 HydrophobicContact CB-CD1 4.25Å; M227-I230 HydrophobicContact CB-CG1 3.84Å; A228-I230 PolarHBondContact O-N 2.79Å; A228-I230 VanDerWaalsContact O-N 3.12Å; I230-L232 HydrophobicContact CG2-CB 4.27Å; I230-A261 HydrophobicContact CB-CB 4.07Å; I230-A261 WeakPolarHBondContact O-CA 3.41Å; I230-R262 PolarHBondContact O-N 3.22Å; I230-L263 HydrophobicContact CG2-CD2 3.87Å
231R97.6Very high96.4Very high70 Ų7070.9 Ų70.926%0.26435%0.347SS..EExtended strand (participates in β ladder)trans-126.898.6175.1-58.7-64.8-179-96.34.8108.7A204 R205 D229 D260 R262A204-R231 WeakPolarHBondContact O-CA 3.39Å; A204-R231 PolarHBondContact O-N 3.46Å; R205-R231 HydrophobicContact CB-CB 4.27Å; R205-R231 HydrophobicContact CB-CG 4.32Å; D229-R231 PolarHBondContact O-N 2.85Å; D229-R231 PolarHBondContact O-NH1 2.82Å; R231-D260 IonicContact CZ-OD2 2.73Å; R231-D260 PolarHBondContact NH1-O 2.77Å; R231-D260 IonicContact NH1-OD2 3.69Å; R231-D260 IonicContact NH2-OD1 3.66Å; R231-D260 IonicContact NH2-OD2 2.78Å; R231-D260 PolarHBondContact NH2-OD2 3.01Å; R231-R262 WeakPolarHBondContact CA-O 3.39Å
232L95.3Very high96Very high64 Ų6472.2 Ų72.234%0.33535%0.352SS..EExtended strand (participates in β ladder)trans-125130-173.8-169.669.2000111.6A204 I230 F241 R262 L263 Q264A204-L232 HydrophobicContact CB-CD1 4.24Å; I230-L232 HydrophobicContact CG2-CB 4.27Å; L232-F241 HydrophobicContact CD2-CE2 3.42Å; L232-F241 VanDerWaalsContact CD2-CE2 3.42Å; L232-F241 HydrophobicContact CD2-CZ 3.47Å; L232-F241 VanDerWaalsContact CD2-CZ 3.47Å; L232-R262 PolarHBondContact N-O 3Å; L232-L263 HydrophobicContact CB-CD2 3.69Å; L232-L263 HydrophobicContact CD2-CD2 4.27Å; L232-L263 CarbonylContact O-C 3.58Å; L232-L263 WeakPolarHBondContact O-CA 3.37Å; L232-Q264 PolarHBondContact O-N 2.83Å
233Q95.4Very high95.6Very high160 Ų16073.1 Ų73.175%0.74836%0.361SS*.EExtended strand (participates in β ladder)trans-116.4126.6169.6-173.3177.4-9.600108.2Q264Q233-Q264 CarbonylContact C-O 3.44Å; Q233-Q264 WeakPolarHBondContact CA-O 3.31Å
234S94.1Very high95.1Very high24 Ų2470.4 Ų70.417%0.16836%0.355CS..  trans-118.5147.2-179.3-163.20000110.6K236 Q264 G265S234-K236 WeakPolarHBondContact OG-CB 3.33Å; S234-K236 PolarHBondContact OG-N 2.78Å; S234-Q264 PolarHBondContact N-O 2.93Å; S234-G265 WeakPolarHBondContact O-CA 3.46Å
235E95.5Very high94.4Very high196 Ų19671.6 Ų71.692%0.91636%0.361SS*.SBendtrans-84.8-3.4168.8-60.717917200111.7
236K95.6Very high93.7Very high103 Ų10376.6 Ų76.645%0.44838%0.377SS..SBendtrans-89.2145.7-173.4-63.9-179.7-178.4175.40112.3S234 D240 F241 P266 W268S234-K236 WeakPolarHBondContact OG-CB 3.33Å; S234-K236 PolarHBondContact OG-N 2.78Å; K236-D240 HydrophobicContact CB-CB 4.05Å; K236-D240 HydrophobicContact CG-CB 4.48Å; K236-F241 HydrophobicContact CB-CB 4.4Å; K236-P266 WeakPolarHBondContact O-CD 3.3Å; K236-W268 PolarHBondContact O-NE1 3.17Å
237S96.3Very high93Very high43 Ų4375.7 Ų75.730%0.30139%0.388SS..  trans-56.9159.2164.279.70000110.8T239 D240 F241S237-T239 PolarHBondContact O-N 2.76Å; S237-D240 PolarHBondContact O-N 2.83Å; S237-D240 VanDerWaalsContact O-N 3.15Å; S237-D240 WeakPolarHBondContact OG-CB 3.39Å; S237-D240 PolarHBondContact OG-N 3.12Å; S237-D240 PolarHBondContact OG-OD2 2.79Å; S237-F241 WeakPolarHBondContact O-CB 3.35Å; S237-F241 PolarHBondContact O-N 2.89Å
238L93.5Very high92.6Very high44 Ų4475.3 Ų75.323%0.2339%0.389CS..Hα-helixtrans-58.1-38.5-179.6-175.162.4000111.5F242 W268 Y303L238-F242 HydrophobicContact CD1-CD2 4.16Å; L238-F242 HydrophobicContact CD1-CE2 3.69Å; L238-F242 HydrophobicContact CG-CE2 4.45Å; L238-F242 WeakPolarHBondContact O-CD2 3.29Å; L238-F242 PolarHBondContact O-N 2.82Å; L238-W268 HydrophobicContact CB-CB 4.42Å; L238-W268 HydrophobicContact CB-CD2 4.19Å; L238-W268 HydrophobicContact CB-CG 3.85Å; L238-W268 HydrophobicContact CD1-CD2 3.69Å; L238-W268 HydrophobicContact CD1-CE3 3.77Å; L238-W268 HydrophobicContact CD1-CG 4.15Å; L238-W268 HydrophobicContact CD1-CH2 4.35Å; L238-W268 HydrophobicContact CD1-CZ2 4.3Å; L238-W268 HydrophobicContact CD1-CZ3 4.1Å; L238-W268 HydrophobicContact CG-CD2 4.49Å; L238-W268 HydrophobicContact CG-CG 4.48Å; L238-W268 VanDerWaalsContact N-CD1 3.34Å; L238-W268 VanDerWaalsContact N-NE1 3.14Å; L238-Y303 HydrophobicContact CB-CE2 4.19Å; L238-Y303 HydrophobicContact CD2-CD2 3.85Å; L238-Y303 HydrophobicContact CD2-CE2 3.85Å
239T91.8Very high92.3Very high69 Ų6978.5 Ų78.542%0.42341%0.409SS..Hα-helixtrans-66-45.2177.7-53.40000111.6S237 F241 F242 A243S237-T239 PolarHBondContact O-N 2.76Å; T239-F241 VanDerWaalsContact C-N 3.32Å; T239-F241 PolarHBondContact O-N 2.8Å; T239-F242 PolarHBondContact O-N 2.85Å; T239-A243 PolarHBondContact O-N 3.32Å; T239-A243 VanDerWaalsContact O-N 3.07Å
240D93.4Very high92.2Very high88 Ų8876.3 Ų76.347%0.47140%0.4SS..Hα-helixtrans-72.5-27.9-178.8-62-39.6000112.5K236 S237 F242 A243K236-D240 HydrophobicContact CB-CB 4.05Å; K236-D240 HydrophobicContact CG-CB 4.48Å; S237-D240 PolarHBondContact O-N 2.83Å; S237-D240 VanDerWaalsContact O-N 3.15Å; S237-D240 WeakPolarHBondContact OG-CB 3.39Å; S237-D240 PolarHBondContact OG-N 3.12Å; S237-D240 PolarHBondContact OG-OD2 2.79Å; D240-F242 VanDerWaalsContact C-N 3.3Å; D240-F242 PolarHBondContact O-N 2.89Å; D240-A243 WeakPolarHBondContact O-CB 3.27Å; D240-A243 PolarHBondContact O-N 3.25Å
241F93Very high92.1Very high49 Ų4976.9 Ų76.922%0.21540%0.403CS..Hα-helixtrans-59-43173.3-177.7-99.4000111.4L232 K236 S237 T239 P244 W268L232-F241 HydrophobicContact CD2-CE2 3.42Å; L232-F241 VanDerWaalsContact CD2-CE2 3.42Å; L232-F241 HydrophobicContact CD2-CZ 3.47Å; L232-F241 VanDerWaalsContact CD2-CZ 3.47Å; K236-F241 HydrophobicContact CB-CB 4.4Å; S237-F241 WeakPolarHBondContact O-CB 3.35Å; S237-F241 PolarHBondContact O-N 2.89Å; T239-F241 VanDerWaalsContact C-N 3.32Å; T239-F241 PolarHBondContact O-N 2.8Å; F241-P244 WeakPolarHBondContact O-CD 3.39Å; F241-W268 HydrophobicContact CB-CZ2 4.06Å; F241-W268 HydrophobicContact CD1-CH2 4.22Å; F241-W268 HydrophobicContact CD1-CZ2 4.38Å; F241-W268 HydrophobicContact CD2-CH2 4.35Å; F241-W268 HydrophobicContact CD2-CZ2 4.13Å; F241-W268 HydrophobicContact CE1-CH2 4.48Å; F241-W268 HydrophobicContact CG-CH2 4.16Å; F241-W268 AromaticContact CG-CZ2 3.92Å; F241-W268 HydrophobicContact CG-CZ2 3.92Å
242F89.8Confident92.1Very high94 Ų9477.6 Ų77.641%0.41241%0.409SS..Hα-helixtrans-91.9-4.4179.1-68.9-66000114.6L238 T239 D240 P244 L245L238-F242 HydrophobicContact CD1-CD2 4.16Å; L238-F242 HydrophobicContact CD1-CE2 3.69Å; L238-F242 HydrophobicContact CG-CE2 4.45Å; L238-F242 WeakPolarHBondContact O-CD2 3.29Å; L238-F242 PolarHBondContact O-N 2.82Å; T239-F242 PolarHBondContact O-N 2.85Å; D240-F242 VanDerWaalsContact C-N 3.3Å; D240-F242 PolarHBondContact O-N 2.89Å; F242-P244 VanDerWaalsContact C-N 3.32Å; F242-L245 HydrophobicContact CD1-CD1 3.73Å; F242-L245 HydrophobicContact CE1-CD1 4.5Å; F242-L245 WeakPolarHBondContact O-CB 3.39Å; F242-L245 PolarHBondContact O-N 2.91Å
243A89.5Confident92.2Very high38 Ų3875.2 Ų75.231%0.31440%0.397SS..G310 helixtrans-53.7-38179.900000114.5T239 D240 L245 R246T239-A243 PolarHBondContact O-N 3.32Å; T239-A243 VanDerWaalsContact O-N 3.07Å; D240-A243 WeakPolarHBondContact O-CB 3.27Å; D240-A243 PolarHBondContact O-N 3.25Å; A243-L245 PolarHBondContact O-N 2.83Å; A243-L245 VanDerWaalsContact O-N 3.17Å; A243-R246 WeakPolarHBondContact O-CB 3.49Å; A243-R246 PolarHBondContact O-N 3.28Å
244P86.7Confident92.4Very high72 Ų7268.7 Ų68.747%0.46837%0.372SS..G310 helixtrans-60.6-24.1176.4-25.436.1000114.3F241 F242 R246 S247F241-P244 WeakPolarHBondContact O-CD 3.39Å; F242-P244 VanDerWaalsContact C-N 3.32Å; P244-R246 PolarHBondContact O-N 3.13Å; P244-S247 PolarHBondContact O-N 2.75Å; P244-S247 PolarHBondContact O-OG 2.77Å
245L84.5Confident92.6Very high95 Ų9572.5 Ų72.550%0.49738%0.383SS..G310 helixtrans-69.1-19.9175.4-60.6-179.6000112.3F242 A243 L251F242-L245 HydrophobicContact CD1-CD1 3.73Å; F242-L245 HydrophobicContact CE1-CD1 4.5Å; F242-L245 WeakPolarHBondContact O-CB 3.39Å; F242-L245 PolarHBondContact O-N 2.91Å; A243-L245 PolarHBondContact O-N 2.83Å; A243-L245 VanDerWaalsContact O-N 3.17Å; L245-L251 HydrophobicContact CD2-CD2 4.13Å
246R83.5Confident92.7Very high148 Ų14864.4 Ų64.456%0.55835%0.346SS*.G310 helixtrans-84.6-17.4179.2-57.6174.2179.1-177.53.2113.1A243 P244 V248 D285A243-R246 WeakPolarHBondContact O-CB 3.49Å; A243-R246 PolarHBondContact O-N 3.28Å; P244-R246 PolarHBondContact O-N 3.13Å; R246-V248 VanDerWaalsContact C-N 3.31Å; R246-D285 WeakPolarHBondContact CD-OD1 3.35Å; R246-D285 VanDerWaalsContact CG-OD1 3.29Å; R246-D285 WeakPolarHBondContact CG-OD1 3.37Å; R246-D285 IonicContact NE-OD1 3.18Å
247S84.7Confident92.9Very high100 Ų10061.1 Ų61.170%0.69933%0.332SS*.SBendtrans-79.8-16.1177.365.30000113P244P244-S247 PolarHBondContact O-N 2.75Å; P244-S247 PolarHBondContact O-OG 2.77Å
248V88.7Confident93Very high37 Ų3759.6 Ų59.622%0.22432%0.321CS..SBendtrans-79132.8175.4-177.80000109.6R246 S250R246-V248 VanDerWaalsContact C-N 3.31Å; V248-S250 VanDerWaalsContact C-N 3.31Å; V248-S250 VanDerWaalsContact CG1-O 3.32Å; V248-S250 WeakPolarHBondContact CG1-O 3.29Å; V248-S250 PolarHBondContact O-N 2.92Å
249P93Very high93.2Very high69 Ų6960.2 Ų60.245%0.44832%0.324SS..SBendtrans-56-42.8-179.6-27.635.3000113.8S283P249-S283 PolarHBondContact O-OG 2.96Å
250S96.1Very high93.6Very high28 Ų2858.9 Ų58.920%0.19631%0.314CS..  trans-155.7141.8171.4-177.20000111S219 W220 V248 T281 F282S219-S250 CarbonylContact C-O 3.52Å; S219-S250 VanDerWaalsContact CA-O 3.27Å; S219-S250 WeakPolarHBondContact CA-O 3.34Å; S219-S250 WeakPolarHBondContact CB-O 3.41Å; W220-S250 PolarHBondContact N-O 2.87Å; V248-S250 VanDerWaalsContact C-N 3.31Å; V248-S250 VanDerWaalsContact CG1-O 3.32Å; V248-S250 WeakPolarHBondContact CG1-O 3.29Å; V248-S250 PolarHBondContact O-N 2.92Å; S250-T281 WeakPolarHBondContact OG-CG2 3.32Å; S250-F282 CarbonylContact C-O 3.57Å; S250-F282 VanDerWaalsContact CA-O 3.26Å; S250-F282 WeakPolarHBondContact CA-O 3.37Å; S250-F282 PolarHBondContact OG-O 3.29Å
251L96.6Very high93.8Very high24 Ų2454.8 Ų54.813%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-124.2105.5173.3173.761.9000109.2W220 V222 L245 I253 T281 F282W220-L251 HydrophobicContact CB-CD1 3.76Å; W220-L251 CarbonylContact O-C 3.57Å; W220-L251 WeakPolarHBondContact O-CA 3.13Å; V222-L251 HydrophobicContact CG2-CD1 3.88Å; L245-L251 HydrophobicContact CD2-CD2 4.13Å; L251-I253 HydrophobicContact CD1-CG1 4.38Å; L251-I253 HydrophobicContact CD2-CD1 4.23Å; L251-I253 HydrophobicContact CD2-CG1 4.44Å; L251-I253 HydrophobicContact CG-CD1 4.37Å; L251-I253 HydrophobicContact CG-CG1 4.04Å; L251-T281 CarbonylContact O-C 3.54Å; L251-T281 WeakPolarHBondContact O-CA 3.45Å; L251-F282 HydrophobicContact CB-CB 4.47Å; L251-F282 PolarHBondContact N-O 3.12Å; L251-F282 PolarHBondContact O-N 3.37Å
252Q97.5Very high94.1Very high84 Ų8457.6 Ų57.639%0.39330%0.302SS..EExtended strand (participates in β ladder)trans-91.9127.8172-179178.6-0.700109.6W220 Q221 V222 M280 T281W220-Q252 PolarHBondContact O-N 2.75Å; Q221-Q252 CarbonylContact C-O 3.58Å; Q221-Q252 WeakPolarHBondContact CA-O 3.39Å; Q221-Q252 HydrophobicContact CG-CB 4.23Å; V222-Q252 PolarHBondContact N-O 2.69Å; Q252-M280 CarbonylContact C-O 3.51Å; Q252-T281 HydrophobicContact CB-CG2 4.46Å
253I97.7Very high94.4Very high15 Ų1554.4 Ų54.48%0.07729%0.289CS..EExtended strand (participates in β ladder)trans-117.7110.9178.2-56.9-174.6000107.9V222 L251 L256 L277 N279 M280 F282V222-I253 CarbonylContact O-C 3.59Å; V222-I253 WeakPolarHBondContact O-CA 3.29Å; L251-I253 HydrophobicContact CD1-CG1 4.38Å; L251-I253 HydrophobicContact CD2-CD1 4.23Å; L251-I253 HydrophobicContact CD2-CG1 4.44Å; L251-I253 HydrophobicContact CG-CD1 4.37Å; L251-I253 HydrophobicContact CG-CG1 4.04Å; I253-L256 HydrophobicContact CD1-CD2 4.49Å; I253-L256 HydrophobicContact CG2-CB 3.7Å; I253-L277 HydrophobicContact CD1-CD2 4.18Å; I253-N279 CarbonylContact O-C 3.53Å; I253-N279 VanDerWaalsContact O-CA 3.3Å; I253-N279 WeakPolarHBondContact O-CA 3.36Å; I253-N279 PolarHBondContact O-N 2.78Å; I253-M280 PolarHBondContact N-O 3.15Å; I253-M280 PolarHBondContact O-N 2.69Å; I253-F282 HydrophobicContact CD1-CD2 4.29Å; I253-F282 HydrophobicContact CD1-CE2 3.85Å
254G98.5Very high94.8Very high23 Ų2357.5 Ų57.524%0.23730%0.297CS..EExtended strand (participates in β ladder)trans-68.9-55.4168.200000110.3V222 E223 R278 N279V222-G254 PolarHBondContact O-N 3.1Å; E223-G254 CarbonylContact O-C 3.45Å; E223-G254 WeakPolarHBondContact O-CA 3.29Å; G254-R278 CarbonylContact O-C 3.36Å; G254-R278 VanDerWaalsContact O-CA 3.29Å; G254-R278 WeakPolarHBondContact O-CA 3.24Å; G254-N279 PolarHBondContact O-N 2.75Å
255R98.5Very high95.4Very high103 Ų10354.4 Ų54.439%0.38928%0.278SS..EExtended strand (participates in β ladder)trans-147.7128.2177.4-173.6175.2-174.7-169.4-3.3111.4E223 N224 L225 E257 L277 R278E223-R255 PolarHBondContact O-N 3.48Å; N224-R255 CarbonylContact C-O 3.53Å; N224-R255 WeakPolarHBondContact CA-O 3.46Å; N224-R255 WeakPolarHBondContact OD1-CB 3.37Å; L225-R255 PolarHBondContact N-O 2.89Å; R255-E257 HydrophobicContact CG-CG 4.17Å; R255-E257 IonicContact CZ-OE1 2.75Å; R255-E257 IonicContact NE-OE1 2.85Å; R255-E257 PolarHBondContact NE-OE1 3.09Å; R255-E257 IonicContact NH2-OE1 3.17Å; R255-E257 PolarHBondContact NH2-OE1 2.89Å; R255-L277 CarbonylContact C-O 3.54Å; R255-L277 WeakPolarHBondContact CA-O 3.46Å; R255-R278 HydrophobicContact CG-CG 4.38Å
256L98.6Very high95.9Very high26 Ų2653.6 Ų53.614%0.13628%0.279CS..EExtended strand (participates in β ladder)trans-121124.9169.416963.3000108.3L225 M227 I253 V258 L275 S276 L277L225-L256 HydrophobicContact CB-CD1 4.12Å; L225-L256 HydrophobicContact CD2-CD1 3.96Å; L225-L256 HydrophobicContact CG-CD1 4Å; L225-L256 CarbonylContact O-C 3.6Å; L225-L256 VanDerWaalsContact O-CA 3.29Å; L225-L256 WeakPolarHBondContact O-CA 3.32Å; M227-L256 HydrophobicContact CE-CD1 3.99Å; I253-L256 HydrophobicContact CD1-CD2 4.49Å; I253-L256 HydrophobicContact CG2-CB 3.7Å; L256-V258 HydrophobicContact CD1-CG2 4.25Å; L256-V258 HydrophobicContact CG-CG2 4.32Å; L256-L275 HydrophobicContact CD2-CD2 4.3Å; L256-L275 HydrophobicContact CG-CD2 4.42Å; L256-S276 CarbonylContact O-C 3.49Å; L256-S276 WeakPolarHBondContact O-CA 3.33Å; L256-L277 HydrophobicContact CB-CB 4.22Å; L256-L277 HydrophobicContact CD2-CD2 4.4Å; L256-L277 PolarHBondContact N-O 2.66Å; L256-L277 PolarHBondContact O-N 3.27Å
257E98.7Very high96.5Very high34 Ų3452.1 Ų52.116%0.15928%0.282CS..EExtended strand (participates in β ladder)trans-118.5125172.9-61.7-70165.900108.4L225 R226 M227 R255 L275 S276 R278L225-E257 PolarHBondContact O-N 2.64Å; R226-E257 CarbonylContact C-O 3.48Å; R226-E257 VanDerWaalsContact CA-O 3.27Å; R226-E257 WeakPolarHBondContact CA-O 3.3Å; R226-E257 HydrophobicContact CB-CB 4.43Å; R226-E257 HydrophobicContact CG-CB 4.29Å; M227-E257 PolarHBondContact N-O 2.93Å; R255-E257 HydrophobicContact CG-CG 4.17Å; R255-E257 IonicContact CZ-OE1 2.75Å; R255-E257 IonicContact NE-OE1 2.85Å; R255-E257 PolarHBondContact NE-OE1 3.09Å; R255-E257 IonicContact NH2-OE1 3.17Å; R255-E257 PolarHBondContact NH2-OE1 2.89Å; E257-L275 CarbonylContact C-O 3.58Å; E257-L275 WeakPolarHBondContact CA-O 3.26Å; E257-S276 VanDerWaalsContact CD-OG 3.25Å; E257-S276 PolarHBondContact OE1-OG 2.95Å; E257-S276 WeakPolarHBondContact OE2-CB 3.38Å; E257-S276 PolarHBondContact OE2-OG 3.15Å; E257-R278 IonicContact OE1-NH2 2.63Å
258V98.7Very high97.2Very high11 Ų1148 Ų487%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-114130.8169.1-173.90000106.4M227 L256 A261 L273 D274 L275M227-V258 HydrophobicContact CE-CG2 3.62Å; M227-V258 CarbonylContact O-C 3.52Å; M227-V258 VanDerWaalsContact O-CA 3.29Å; M227-V258 WeakPolarHBondContact O-CA 3.25Å; L256-V258 HydrophobicContact CD1-CG2 4.25Å; L256-V258 HydrophobicContact CG-CG2 4.32Å; V258-A261 HydrophobicContact CG1-CB 3.38Å; V258-L273 HydrophobicContact CG1-CD2 4.2Å; V258-L273 HydrophobicContact CG1-CG 4.33Å; V258-D274 CarbonylContact O-C 3.49Å; V258-D274 VanDerWaalsContact O-CA 3.26Å; V258-D274 WeakPolarHBondContact O-CA 3.38Å; V258-L275 HydrophobicContact CB-CB 4.07Å; V258-L275 HydrophobicContact CG2-CB 4.34Å; V258-L275 HydrophobicContact CG2-CD2 4.25Å; V258-L275 PolarHBondContact N-O 2.84Å; V258-L275 PolarHBondContact O-N 2.94Å
259I98.6Very high97.6Very high58 Ų5847 Ų4730%0.29725%0.246SC..EExtended strand (participates in β ladder)trans-129.8128-177.1-56.1176.6000108.4M227 A228 D229 A261 D274M227-I259 PolarHBondContact O-N 3.29Å; A228-I259 CarbonylContact C-O 3.59Å; A228-I259 VanDerWaalsContact CA-O 3.29Å; A228-I259 WeakPolarHBondContact CA-O 3.27Å; A228-I259 HydrophobicContact CB-CB 4.23Å; D229-I259 PolarHBondContact N-O 3.21Å; I259-A261 VanDerWaalsContact C-N 3.34Å; I259-A261 PolarHBondContact O-N 2.9Å; I259-D274 VanDerWaalsContact CA-OD1 3.29Å; I259-D274 WeakPolarHBondContact CA-OD1 3.25Å
260D98.4Very high97.9Very high41 Ų4144.2 Ų44.222%0.21923%0.228CC..EExtended strand (participates in β ladder)trans43.453.2-179.8-172.136.8000113.6D229 R231 L273 D274D229-D260 WeakPolarHBondContact CA-O 3.48Å; R231-D260 IonicContact CZ-OD2 2.73Å; R231-D260 PolarHBondContact NH1-O 2.77Å; R231-D260 IonicContact NH1-OD2 3.69Å; R231-D260 IonicContact NH2-OD1 3.66Å; R231-D260 IonicContact NH2-OD2 2.78Å; R231-D260 PolarHBondContact NH2-OD2 3.01Å; D260-L273 PolarHBondContact N-O 2.95Å; D260-L273 VanDerWaalsContact N-O 3.15Å; D260-D274 PolarHBondContact N-OD1 2.87Å
261A98.6Very high98Very high1 Ų145 Ų451%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-90.8142.5176.900000112.3I230 V258 I259 D272 L273I230-A261 HydrophobicContact CB-CB 4.07Å; I230-A261 WeakPolarHBondContact O-CA 3.41Å; V258-A261 HydrophobicContact CG1-CB 3.38Å; I259-A261 VanDerWaalsContact C-N 3.34Å; I259-A261 PolarHBondContact O-N 2.9Å; A261-D272 PolarHBondContact O-N 3.2Å; A261-D272 VanDerWaalsContact O-N 3.16Å; A261-L273 HydrophobicContact CB-CB 4.15Å; A261-L273 PolarHBondContact N-O 3.38Å; A261-L273 WeakPolarHBondContact O-CB 3.42Å; A261-L273 PolarHBondContact O-N 2.79Å
262R98.5Very high98.1Very high109 Ų10945.6 Ų45.641%0.41124%0.235SC..EExtended strand (participates in β ladder)trans-122.8116.4170.2-55.9-175.8-177.3172.2-1.5109.3I230 R231 L232 V270 T271 D272I230-R262 PolarHBondContact O-N 3.22Å; R231-R262 WeakPolarHBondContact CA-O 3.39Å; L232-R262 PolarHBondContact N-O 3Å; R262-V270 WeakPolarHBondContact CA-O 3.43Å; R262-T271 HydrophobicContact CG-CG2 4.39Å; R262-D272 IonicContact CZ-OD1 2.72Å; R262-D272 IonicContact NE-OD1 3.05Å; R262-D272 PolarHBondContact NE-OD1 2.84Å; R262-D272 IonicContact NH2-OD1 3.25Å; R262-D272 PolarHBondContact NH2-OD1 2.84Å
263L97.7Very high98.2Very high26 Ų2642.2 Ų42.214%0.13622%0.22CC..EExtended strand (participates in β ladder)trans-125.4133.6-177.8-46172.3000108.4I230 L232 W268 A269 V270 L273I230-L263 HydrophobicContact CG2-CD2 3.87Å; L232-L263 HydrophobicContact CB-CD2 3.69Å; L232-L263 HydrophobicContact CD2-CD2 4.27Å; L232-L263 CarbonylContact O-C 3.58Å; L232-L263 WeakPolarHBondContact O-CA 3.37Å; L263-W268 HydrophobicContact CB-CH2 4.01Å; L263-W268 HydrophobicContact CB-CZ3 3.66Å; L263-A269 CarbonylContact O-C 3.55Å; L263-A269 VanDerWaalsContact O-CA 3.31Å; L263-A269 WeakPolarHBondContact O-CA 3.46Å; L263-V270 HydrophobicContact CB-CG1 3.83Å; L263-V270 HydrophobicContact CD1-CG1 4.03Å; L263-V270 HydrophobicContact CG-CG1 4.03Å; L263-V270 PolarHBondContact N-O 3.18Å; L263-V270 PolarHBondContact O-N 2.83Å; L263-L273 HydrophobicContact CD1-CD2 4.48Å
264Q98Very high98.2Very high103 Ų10344.2 Ų44.248%0.48123%0.23SC..EExtended strand (participates in β ladder)trans-137.2138.1-179.7-177.7178.9-12.600110.7L232 Q233 S234 A269L232-Q264 PolarHBondContact O-N 2.83Å; Q233-Q264 CarbonylContact C-O 3.44Å; Q233-Q264 WeakPolarHBondContact CA-O 3.31Å; S234-Q264 PolarHBondContact N-O 2.93Å; Q264-A269 HydrophobicContact CG-CB 4.36Å
265G97.6Very high98.2Very high8 Ų844.7 Ų44.78%0.08223%0.227CC..  trans-127.8-163166.800000112.2S234 W268S234-G265 WeakPolarHBondContact O-CA 3.46Å; G265-W268 PolarHBondContact N-O 2.89Å
266P96.8Very high98.2Very high78 Ų7840.6 Ų40.651%0.50622%0.215SC..SBendtrans-65.4-47.4-175.922.7-29.8000113.1K236K236-P266 WeakPolarHBondContact O-CD 3.3Å
267D95.7Very high98.2Very high117 Ų11740.2 Ų40.263%0.62621%0.213SC*.SBendtrans-12419.6-176.8-58.3-50.8000112.4Y303 G304D267-Y303 CarbonylContact O-C 3.55Å; D267-Y303 WeakPolarHBondContact O-CA 3.48Å; D267-G304 PolarHBondContact O-N 3.23Å
268W98.2Very high98.2Very high14 Ų1443.4 Ų43.45%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-146.9146.8-179.566.1-86.8000111.4K236 L238 F241 L263 G265 I302 Y303K236-W268 PolarHBondContact O-NE1 3.17Å; L238-W268 HydrophobicContact CB-CB 4.42Å; L238-W268 HydrophobicContact CB-CD2 4.19Å; L238-W268 HydrophobicContact CB-CG 3.85Å; L238-W268 HydrophobicContact CD1-CD2 3.69Å; L238-W268 HydrophobicContact CD1-CE3 3.77Å; L238-W268 HydrophobicContact CD1-CG 4.15Å; L238-W268 HydrophobicContact CD1-CH2 4.35Å; L238-W268 HydrophobicContact CD1-CZ2 4.3Å; L238-W268 HydrophobicContact CD1-CZ3 4.1Å; L238-W268 HydrophobicContact CG-CD2 4.49Å; L238-W268 HydrophobicContact CG-CG 4.48Å; L238-W268 VanDerWaalsContact N-CD1 3.34Å; L238-W268 VanDerWaalsContact N-NE1 3.14Å; F241-W268 HydrophobicContact CB-CZ2 4.06Å; F241-W268 HydrophobicContact CD1-CH2 4.22Å; F241-W268 HydrophobicContact CD1-CZ2 4.38Å; F241-W268 HydrophobicContact CD2-CH2 4.35Å; F241-W268 HydrophobicContact CD2-CZ2 4.13Å; F241-W268 HydrophobicContact CE1-CH2 4.48Å; F241-W268 HydrophobicContact CG-CH2 4.16Å; F241-W268 AromaticContact CG-CZ2 3.92Å; F241-W268 HydrophobicContact CG-CZ2 3.92Å; L263-W268 HydrophobicContact CB-CH2 4.01Å; L263-W268 HydrophobicContact CB-CZ3 3.66Å; G265-W268 PolarHBondContact N-O 2.89Å; W268-I302 WeakPolarHBondContact CA-O 3.49Å; W268-I302 WeakPolarHBondContact CB-O 3.48Å; W268-Y303 HydrophobicContact CB-CD2 4.2Å
269A98.6Very high98.2Very high15 Ų1547 Ų4712%0.12424%0.242CC..EExtended strand (participates in β ladder)trans-153.4151173.600000110.3L263 Q264 F301 I302L263-A269 CarbonylContact O-C 3.55Å; L263-A269 VanDerWaalsContact O-CA 3.31Å; L263-A269 WeakPolarHBondContact O-CA 3.46Å; Q264-A269 HydrophobicContact CG-CB 4.36Å; A269-F301 CarbonylContact O-C 3.6Å; A269-F301 WeakPolarHBondContact O-CA 3.29Å; A269-I302 HydrophobicContact CB-CB 4.23Å; A269-I302 HydrophobicContact CB-CD1 4.32Å; A269-I302 PolarHBondContact N-O 2.84Å; A269-I302 PolarHBondContact O-N 2.84Å
270V98.5Very high98.2Very high10 Ų1044.4 Ų44.46%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-137.1131.6166.764.40000108.7R262 L263 L273 M296 A298 E300 F301R262-V270 WeakPolarHBondContact CA-O 3.43Å; L263-V270 HydrophobicContact CB-CG1 3.83Å; L263-V270 HydrophobicContact CD1-CG1 4.03Å; L263-V270 HydrophobicContact CG-CG1 4.03Å; L263-V270 PolarHBondContact N-O 3.18Å; L263-V270 PolarHBondContact O-N 2.83Å; V270-L273 HydrophobicContact CG1-CB 4.37Å; V270-L273 HydrophobicContact CG1-CD2 4.18Å; V270-L273 HydrophobicContact CG2-CB 3.88Å; V270-L273 HydrophobicContact CG2-CD1 4.17Å; V270-L273 HydrophobicContact CG2-CG 4.42Å; V270-M296 HydrophobicContact CG2-CE 4.47Å; V270-A298 HydrophobicContact CG2-CB 3.71Å; V270-E300 WeakPolarHBondContact CA-O 3.49Å; V270-F301 HydrophobicContact CB-CD2 4.34Å; V270-F301 HydrophobicContact CG2-CD2 4.38Å
271T98.6Very high98.1Very high44 Ų4444 Ų4427%0.2723%0.228SC..EExtended strand (participates in β ladder)trans-119.6131.6-174-58.10000109.9R262 L273 A298 S299 E300R262-T271 HydrophobicContact CG-CG2 4.39Å; T271-L273 VanDerWaalsContact C-N 3.33Å; T271-L273 PolarHBondContact O-N 2.86Å; T271-A298 WeakPolarHBondContact O-CB 3.4Å; T271-S299 PolarHBondContact O-N 2.81Å; T271-E300 PolarHBondContact N-O 3Å; T271-E300 PolarHBondContact O-N 2.74Å
272D98.5Very high98Very high38 Ų3847.7 Ų47.720%0.20324%0.244CC..EExtended strand (participates in β ladder)trans54.746.6-179.6-45.3-33.9000112.1A261 R262 D274 A298 S299A261-D272 PolarHBondContact O-N 3.2Å; A261-D272 VanDerWaalsContact O-N 3.16Å; R262-D272 IonicContact CZ-OD1 2.72Å; R262-D272 IonicContact NE-OD1 3.05Å; R262-D272 PolarHBondContact NE-OD1 2.84Å; R262-D272 IonicContact NH2-OD1 3.25Å; R262-D272 PolarHBondContact NH2-OD1 2.84Å; D272-D274 PolarHBondContact O-N 3.04Å; D272-A298 WeakPolarHBondContact O-CA 3.37Å; D272-S299 WeakPolarHBondContact CB-OG 3.19Å; D272-S299 WeakPolarHBondContact OD2-CB 3.34Å; D272-S299 PolarHBondContact OD2-OG 2.82Å
273L98.7Very high97.7Very high13 Ų1343.7 Ų43.77%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-69118.8178.5173.465.2000110.7V258 D260 A261 L263 V270 T271 L275 M296 N297V258-L273 HydrophobicContact CG1-CD2 4.2Å; V258-L273 HydrophobicContact CG1-CG 4.33Å; D260-L273 PolarHBondContact N-O 2.95Å; D260-L273 VanDerWaalsContact N-O 3.15Å; A261-L273 HydrophobicContact CB-CB 4.15Å; A261-L273 PolarHBondContact N-O 3.38Å; A261-L273 WeakPolarHBondContact O-CB 3.42Å; A261-L273 PolarHBondContact O-N 2.79Å; L263-L273 HydrophobicContact CD1-CD2 4.48Å; V270-L273 HydrophobicContact CG1-CB 4.37Å; V270-L273 HydrophobicContact CG1-CD2 4.18Å; V270-L273 HydrophobicContact CG2-CB 3.88Å; V270-L273 HydrophobicContact CG2-CD1 4.17Å; V270-L273 HydrophobicContact CG2-CG 4.42Å; T271-L273 VanDerWaalsContact C-N 3.33Å; T271-L273 PolarHBondContact O-N 2.86Å; L273-L275 HydrophobicContact CD1-CB 4.09Å; L273-L275 HydrophobicContact CG-CB 4.29Å; L273-M296 HydrophobicContact CD1-CE 3.65Å; L273-M296 HydrophobicContact CD1-CG 3.67Å; L273-M296 HydrophobicContact CD1-SD 3.9Å; L273-N297 WeakPolarHBondContact CA-O 3.48Å
274D98.8Very high97.1Very high57 Ų5751.6 Ų51.631%0.30527%0.266SS..EExtended strand (participates in β ladder)trans-107.1131.9155.5-47.5-71000109.8V258 I259 D260 D272 M296 N297V258-D274 CarbonylContact O-C 3.49Å; V258-D274 VanDerWaalsContact O-CA 3.26Å; V258-D274 WeakPolarHBondContact O-CA 3.38Å; I259-D274 VanDerWaalsContact CA-OD1 3.29Å; I259-D274 WeakPolarHBondContact CA-OD1 3.25Å; D260-D274 PolarHBondContact N-OD1 2.87Å; D272-D274 PolarHBondContact O-N 3.04Å; D274-M296 VanDerWaalsContact O-CA 3.29Å; D274-M296 WeakPolarHBondContact O-CA 3.49Å; D274-N297 VanDerWaalsContact CB-OD1 3.32Å; D274-N297 WeakPolarHBondContact CB-OD1 3.27Å; D274-N297 PolarHBondContact N-O 3.14Å; D274-N297 PolarHBondContact O-N 2.81Å; D274-N297 VanDerWaalsContact O-O 3.1Å; D274-N297 PolarHBondContact O-OD1 2.8Å
275L98.6Very high96.4Very high32 Ų3252.8 Ų52.817%0.16828%0.275CS..EExtended strand (participates in β ladder)trans-143.7128.1-177.6177.8153.9000110.5L256 E257 V258 L273 L277 L294 S295 M296L256-L275 HydrophobicContact CD2-CD2 4.3Å; L256-L275 HydrophobicContact CG-CD2 4.42Å; E257-L275 CarbonylContact C-O 3.58Å; E257-L275 WeakPolarHBondContact CA-O 3.26Å; V258-L275 HydrophobicContact CB-CB 4.07Å; V258-L275 HydrophobicContact CG2-CB 4.34Å; V258-L275 HydrophobicContact CG2-CD2 4.25Å; V258-L275 PolarHBondContact N-O 2.84Å; V258-L275 PolarHBondContact O-N 2.94Å; L273-L275 HydrophobicContact CD1-CB 4.09Å; L273-L275 HydrophobicContact CG-CB 4.29Å; L275-L277 HydrophobicContact CD2-CB 3.88Å; L275-L294 HydrophobicContact CD1-CD1 3.92Å; L275-L294 HydrophobicContact CD2-CD1 4.24Å; L275-L294 HydrophobicContact CG-CD1 3.81Å; L275-S295 CarbonylContact C-O 3.46Å; L275-S295 WeakPolarHBondContact CA-O 3.48Å; L275-M296 HydrophobicContact CB-CB 4.48Å; L275-M296 HydrophobicContact CD1-CB 4.44Å; L275-M296 HydrophobicContact CD1-CG 4.49Å; L275-M296 HydrophobicContact CD1-SD 4.2Å; L275-M296 HydrophobicContact CG-CB 4.45Å
276S98.7Very high96Very high18 Ų1855.4 Ų55.413%0.12629%0.288CS..EExtended strand (participates in β ladder)trans-115.8115.1169.3-170.30000108.8L256 E257 R278 L294 S295L256-S276 CarbonylContact O-C 3.49Å; L256-S276 WeakPolarHBondContact O-CA 3.33Å; E257-S276 VanDerWaalsContact CD-OG 3.25Å; E257-S276 PolarHBondContact OE1-OG 2.95Å; E257-S276 WeakPolarHBondContact OE2-CB 3.38Å; E257-S276 PolarHBondContact OE2-OG 3.15Å; S276-R278 PolarHBondContact OG-NE 3.38Å; S276-L294 CarbonylContact O-C 3.57Å; S276-L294 WeakPolarHBondContact O-CA 3.29Å; S276-S295 PolarHBondContact N-O 2.77Å; S276-S295 PolarHBondContact O-N 3.37Å
277L98.6Very high95.9Very high18 Ų1853.7 Ų53.79%0.09427%0.271CS..EExtended strand (participates in β ladder)trans-115.4130.4173.6175.470.8000109.2I253 R255 L256 L275 M280 F282 K293 L294I253-L277 HydrophobicContact CD1-CD2 4.18Å; R255-L277 CarbonylContact C-O 3.54Å; R255-L277 WeakPolarHBondContact CA-O 3.46Å; L256-L277 HydrophobicContact CB-CB 4.22Å; L256-L277 HydrophobicContact CD2-CD2 4.4Å; L256-L277 PolarHBondContact N-O 2.66Å; L256-L277 PolarHBondContact O-N 3.27Å; L275-L277 HydrophobicContact CD2-CB 3.88Å; L277-M280 HydrophobicContact CD1-CB 4.06Å; L277-M280 HydrophobicContact CD1-CE 4.04Å; L277-M280 HydrophobicContact CD1-CG 4.39Å; L277-M280 HydrophobicContact CD2-CB 4.15Å; L277-M280 HydrophobicContact CD2-CG 4.48Å; L277-M280 HydrophobicContact CG-CB 4.15Å; L277-F282 HydrophobicContact CD2-CE2 4.18Å; L277-F282 HydrophobicContact CD2-CZ 4.18Å; L277-K293 CarbonylContact C-O 3.51Å; L277-K293 WeakPolarHBondContact CA-O 3.28Å; L277-L294 HydrophobicContact CB-CD1 4.39Å; L277-L294 HydrophobicContact CD1-CB 4.41Å; L277-L294 HydrophobicContact CD1-CD1 4.37Å
278R98.5Very high95.9Very high101 Ų10153.3 Ų53.338%0.38127%0.265SS..EExtended strand (participates in β ladder)trans-131.7144.8-177.1-58.9-176.7-173.2179.91.5111.8G254 R255 E257 S276 G292 K293G254-R278 CarbonylContact O-C 3.36Å; G254-R278 VanDerWaalsContact O-CA 3.29Å; G254-R278 WeakPolarHBondContact O-CA 3.24Å; R255-R278 HydrophobicContact CG-CG 4.38Å; E257-R278 IonicContact OE1-NH2 2.63Å; S276-R278 PolarHBondContact OG-NE 3.38Å; R278-G292 VanDerWaalsContact O-CA 3.27Å; R278-G292 WeakPolarHBondContact O-CA 3.3Å; R278-K293 HydrophobicContact CB-CB 4.49Å; R278-K293 PolarHBondContact N-O 2.89Å; R278-K293 PolarHBondContact O-N 3.19Å; R278-K293 VanDerWaalsContact O-N 3.08Å
279N98.3Very high95.9Very high87 Ų8753.6 Ų53.647%0.46527%0.269SS..EExtended strand (participates in β ladder)trans49.260.3173.8-57.2-32.1000112.6I253 G254 T289 E291I253-N279 CarbonylContact O-C 3.53Å; I253-N279 VanDerWaalsContact O-CA 3.3Å; I253-N279 WeakPolarHBondContact O-CA 3.36Å; I253-N279 PolarHBondContact O-N 2.78Å; G254-N279 PolarHBondContact O-N 2.75Å; N279-T289 WeakPolarHBondContact O-CB 3.34Å; N279-T289 PolarHBondContact O-OG1 3Å; N279-E291 WeakPolarHBondContact CB-O 3.26Å; N279-E291 PolarHBondContact ND2-O 3.1Å
280M97.7Very high95.7Very high3 Ų360.6 Ų60.62%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-124.8130.2-178.8-167.96172.700111.1Q252 I253 L277 F282 W287 T289 F317Q252-M280 CarbonylContact C-O 3.51Å; I253-M280 PolarHBondContact N-O 3.15Å; I253-M280 PolarHBondContact O-N 2.69Å; L277-M280 HydrophobicContact CD1-CB 4.06Å; L277-M280 HydrophobicContact CD1-CE 4.04Å; L277-M280 HydrophobicContact CD1-CG 4.39Å; L277-M280 HydrophobicContact CD2-CB 4.15Å; L277-M280 HydrophobicContact CD2-CG 4.48Å; L277-M280 HydrophobicContact CG-CB 4.15Å; M280-F282 HydrophobicContact CB-CE2 4.12Å; M280-F282 HydrophobicContact CB-CZ 4.37Å; M280-F282 HydrophobicContact CG-CD2 4.19Å; M280-F282 HydrophobicContact CG-CE1 3.98Å; M280-F282 HydrophobicContact CG-CE2 3.51Å; M280-F282 HydrophobicContact CG-CZ 3.4Å; M280-W287 HydrophobicContact SD-CB 3.75Å; M280-W287 HydrophobicContact SD-CD2 4.42Å; M280-W287 HydrophobicContact SD-CE3 4.07Å; M280-W287 HydrophobicContact SD-CG 4.35Å; M280-T289 HydrophobicContact CE-CG2 4.25Å; M280-T289 HydrophobicContact SD-CG2 4.13Å; M280-F317 HydrophobicContact CE-CB 3.93Å; M280-F317 HydrophobicContact CE-CD1 3.72Å; M280-F317 HydrophobicContact CE-CD2 3.82Å; M280-F317 HydrophobicContact CE-CE1 4.15Å; M280-F317 HydrophobicContact CE-CE2 4.25Å; M280-F317 HydrophobicContact CE-CG 3.56Å; M280-F317 HydrophobicContact CE-CZ 4.4Å
281T97.2Very high95.6Very high33 Ų3365.5 Ų65.520%0.20232%0.321CS..EExtended strand (participates in β ladder)trans-112.9126.6171.6-59.30000109.5S250 L251 Q252 W287 Q288S250-T281 WeakPolarHBondContact OG-CG2 3.32Å; L251-T281 CarbonylContact O-C 3.54Å; L251-T281 WeakPolarHBondContact O-CA 3.45Å; Q252-T281 HydrophobicContact CB-CG2 4.46Å; T281-W287 CarbonylContact O-C 3.51Å; T281-W287 WeakPolarHBondContact O-CA 3.44Å; T281-Q288 PolarHBondContact N-O 2.84Å; T281-Q288 PolarHBondContact O-N 2.79Å
282F95.3Very high95.6Very high77 Ų7763.4 Ų63.434%0.33831%0.308SS..EExtended strand (participates in β ladder)trans-102.9131.6172-58.9-83.1000109.5S250 L251 I253 L277 M280 D286 W287S250-F282 CarbonylContact C-O 3.57Å; S250-F282 VanDerWaalsContact CA-O 3.26Å; S250-F282 WeakPolarHBondContact CA-O 3.37Å; S250-F282 PolarHBondContact OG-O 3.29Å; L251-F282 HydrophobicContact CB-CB 4.47Å; L251-F282 PolarHBondContact N-O 3.12Å; L251-F282 PolarHBondContact O-N 3.37Å; I253-F282 HydrophobicContact CD1-CD2 4.29Å; I253-F282 HydrophobicContact CD1-CE2 3.85Å; L277-F282 HydrophobicContact CD2-CE2 4.18Å; L277-F282 HydrophobicContact CD2-CZ 4.18Å; M280-F282 HydrophobicContact CB-CE2 4.12Å; M280-F282 HydrophobicContact CB-CZ 4.37Å; M280-F282 HydrophobicContact CG-CD2 4.19Å; M280-F282 HydrophobicContact CG-CE1 3.98Å; M280-F282 HydrophobicContact CG-CE2 3.51Å; M280-F282 HydrophobicContact CG-CZ 3.4Å; F282-D286 WeakPolarHBondContact CA-O 3.29Å; F282-W287 HydrophobicContact CD1-CB 4.03Å; F282-W287 HydrophobicContact CE1-CB 4Å
283S92.9Very high95.6Very high25 Ų2565.1 Ų65.118%0.17531%0.314CS..EExtended strand (participates in β ladder)trans-159.9138.9173.6-172.90000109.7P249 D285 D286P249-S283 PolarHBondContact O-OG 2.96Å; S283-D285 PolarHBondContact O-N 2.88Å; S283-D286 PolarHBondContact N-O 3.41Å; S283-D286 PolarHBondContact O-N 3.37Å; S283-D286 VanDerWaalsContact O-N 3.12Å; S283-D286 VanDerWaalsContact O-O 3.12Å
284K85Confident95.6Very high193 Ų19366.1 Ų66.184%0.83932%0.319SS*.THydrogen-bonded Turntrans5251.3176.5-54.9178.8-176.71790113.6D286K284-D286 PolarHBondContact O-N 3.32Å; K284-D286 VanDerWaalsContact O-N 3.1Å
285D82.8Confident95.6Very high127 Ų12766 Ų6668%0.67932%0.323SS*.THydrogen-bonded Turntrans60.414.5-179.1-59.4-46.7000115.7R246 S283R246-D285 WeakPolarHBondContact CD-OD1 3.35Å; R246-D285 VanDerWaalsContact CG-OD1 3.29Å; R246-D285 WeakPolarHBondContact CG-OD1 3.37Å; R246-D285 IonicContact NE-OD1 3.18Å; S283-D285 PolarHBondContact O-N 2.88Å
286D91.1Very high95.6Very high64 Ų6466 Ų6634%0.34232%0.322SS..EExtended strand (participates in β ladder)trans-130.1160.2-179.9-164.310.4000111.2F282 S283 K284 R344F282-D286 WeakPolarHBondContact CA-O 3.29Å; S283-D286 PolarHBondContact N-O 3.41Å; S283-D286 PolarHBondContact O-N 3.37Å; S283-D286 VanDerWaalsContact O-N 3.12Å; S283-D286 VanDerWaalsContact O-O 3.12Å; K284-D286 PolarHBondContact O-N 3.32Å; K284-D286 VanDerWaalsContact O-N 3.1Å; D286-R344 VanDerWaalsContact CG-NH1 3.31Å; D286-R344 IonicContact OD1-CZ 2.89Å; D286-R344 IonicContact OD1-NH1 2.69Å; D286-R344 PolarHBondContact OD1-NH1 3.12Å; D286-R344 VanDerWaalsContact OD1-NH1 3.15Å; D286-R344 IonicContact OD1-NH2 2.96Å; D286-R344 IonicContact OD2-CZ 2.72Å; D286-R344 IonicContact OD2-NH1 3.05Å; D286-R344 PolarHBondContact OD2-NH1 3.3Å
287W94.3Very high95.6Very high41 Ų4168.4 Ų68.416%0.15533%0.334CS..EExtended strand (participates in β ladder)trans-105.2149.6174.561.9-95000110.6M280 T281 F282 T289 F317 S318 G321 V322 W342 R344M280-W287 HydrophobicContact SD-CB 3.75Å; M280-W287 HydrophobicContact SD-CD2 4.42Å; M280-W287 HydrophobicContact SD-CE3 4.07Å; M280-W287 HydrophobicContact SD-CG 4.35Å; T281-W287 CarbonylContact O-C 3.51Å; T281-W287 WeakPolarHBondContact O-CA 3.44Å; F282-W287 HydrophobicContact CD1-CB 4.03Å; F282-W287 HydrophobicContact CE1-CB 4Å; W287-T289 HydrophobicContact CE3-CG2 4.12Å; W287-T289 HydrophobicContact CZ3-CG2 3.99Å; W287-F317 HydrophobicContact CD2-CD1 4.01Å; W287-F317 AromaticContact CE2-CD1 3.96Å; W287-F317 HydrophobicContact CE3-CB 4.39Å; W287-F317 AromaticContact CE3-CD1 3.91Å; W287-F317 HydrophobicContact CE3-CD1 3.91Å; W287-F317 HydrophobicContact CH2-CB 4.31Å; W287-F317 AromaticContact CH2-CD1 3.8Å; W287-F317 HydrophobicContact CH2-CD1 3.8Å; W287-F317 AromaticContact CZ2-CD1 3.86Å; W287-F317 HydrophobicContact CZ2-CD1 3.86Å; W287-F317 HydrophobicContact CZ2-CE1 4.42Å; W287-F317 HydrophobicContact CZ3-CB 3.9Å; W287-F317 AromaticContact CZ3-CD1 3.83Å; W287-F317 HydrophobicContact CZ3-CD1 3.83Å; W287-F317 HydrophobicContact CZ3-CG 4.37Å; W287-S318 WeakPolarHBondContact CH2-O 3.43Å; W287-S318 WeakPolarHBondContact CZ3-O 3.5Å; W287-G321 WeakPolarHBondContact CH2-O 3.34Å; W287-V322 HydrophobicContact CH2-CG2 3.99Å; W287-V322 HydrophobicContact CZ2-CG2 3.65Å; W287-W342 HydrophobicContact CZ2-CE3 4.44Å; W287-W342 AromaticContact CZ2-CZ3 3.82Å; W287-W342 HydrophobicContact CZ2-CZ3 3.82Å; W287-R344 PolarHBondContact O-NH2 2.88Å
288Q95.5Very high95.6Very high109 Ų10967.8 Ų67.851%0.50933%0.332SS..EExtended strand (participates in β ladder)trans-142.3137.2-179.1-62.8179.1-0.200109.8T281T281-Q288 PolarHBondContact N-O 2.84Å; T281-Q288 PolarHBondContact O-N 2.79Å
289T97.2Very high95.6Very high20 Ų2065 Ų6512%0.12333%0.327CS..  trans-167.6156.8176.3-177.60000111.5N279 M280 W287 E291 G292 F317 P319N279-T289 WeakPolarHBondContact O-CB 3.34Å; N279-T289 PolarHBondContact O-OG1 3Å; M280-T289 HydrophobicContact CE-CG2 4.25Å; M280-T289 HydrophobicContact SD-CG2 4.13Å; W287-T289 HydrophobicContact CE3-CG2 4.12Å; W287-T289 HydrophobicContact CZ3-CG2 3.99Å; T289-E291 PolarHBondContact OG1-N 2.7Å; T289-G292 WeakPolarHBondContact OG1-CA 3.24Å; T289-G292 PolarHBondContact OG1-N 3.17Å; T289-F317 HydrophobicContact CG2-CB 3.42Å; T289-F317 VanDerWaalsContact CG2-CB 3.42Å; T289-P319 WeakPolarHBondContact O-CD 3.47Å; T289-P319 WeakPolarHBondContact O-CG 3.12Å
290Q95.6Very high95.6Very high162 Ų16263.9 Ų63.976%0.75732%0.319SS*.SBendtrans-90.6-37.7168.2-63.4-61.2-24.800112.1
291E96.2Very high95.7Very high113 Ų11366.4 Ų66.453%0.52833%0.33SS..SBendtrans-152.472.9-179.5-169.9-166.4163.900109.3N279 T289 K293N279-E291 WeakPolarHBondContact CB-O 3.26Å; N279-E291 PolarHBondContact ND2-O 3.1Å; T289-E291 PolarHBondContact OG1-N 2.7Å; E291-K293 WeakPolarHBondContact OE1-CE 3.38Å; E291-K293 IonicContact OE1-NZ 2.75Å; E291-K293 PolarHBondContact OE1-NZ 2.79Å
292G98.5Very high95.7Very high0 Ų067.1 Ų67.10%033%0.332CS..EExtended strand (participates in β ladder)trans-85.3148.4177.200000110.9R278 T289 E316 F317R278-G292 VanDerWaalsContact O-CA 3.27Å; R278-G292 WeakPolarHBondContact O-CA 3.3Å; T289-G292 WeakPolarHBondContact OG1-CA 3.24Å; T289-G292 PolarHBondContact OG1-N 3.17Å; G292-E316 CarbonylContact O-C 3.53Å; G292-E316 WeakPolarHBondContact O-CA 3.26Å; G292-F317 PolarHBondContact N-O 3.37Å; G292-F317 PolarHBondContact O-N 2.78Å
293K98.7Very high95.8Very high75 Ų7569.3 Ų69.333%0.32634%0.339SS..EExtended strand (participates in β ladder)trans-134.9136.8176.1-62.5-173.9-179.8164.90110.3L277 R278 E291 E316L277-K293 CarbonylContact C-O 3.51Å; L277-K293 WeakPolarHBondContact CA-O 3.28Å; R278-K293 HydrophobicContact CB-CB 4.49Å; R278-K293 PolarHBondContact N-O 2.89Å; R278-K293 PolarHBondContact O-N 3.19Å; R278-K293 VanDerWaalsContact O-N 3.08Å; E291-K293 WeakPolarHBondContact OE1-CE 3.38Å; E291-K293 IonicContact OE1-NZ 2.75Å; E291-K293 PolarHBondContact OE1-NZ 2.79Å; K293-E316 HydrophobicContact CG-CG 4.34Å
294L98.7Very high95.9Very high33 Ų3370.4 Ų70.417%0.17336%0.355CS..EExtended strand (participates in β ladder)trans-125.6125.2170.8176.565.7000108.4L275 S276 L277 I313 N314 A315 F317L275-L294 HydrophobicContact CD1-CD1 3.92Å; L275-L294 HydrophobicContact CD2-CD1 4.24Å; L275-L294 HydrophobicContact CG-CD1 3.81Å; S276-L294 CarbonylContact O-C 3.57Å; S276-L294 WeakPolarHBondContact O-CA 3.29Å; L277-L294 HydrophobicContact CB-CD1 4.39Å; L277-L294 HydrophobicContact CD1-CB 4.41Å; L277-L294 HydrophobicContact CD1-CD1 4.37Å; L294-I313 HydrophobicContact CD2-CG2 4.5Å; L294-N314 CarbonylContact O-C 3.51Å; L294-N314 WeakPolarHBondContact O-CA 3.33Å; L294-A315 HydrophobicContact CB-CB 4.42Å; L294-A315 PolarHBondContact N-O 2.96Å; L294-A315 PolarHBondContact O-N 3.1Å; L294-F317 HydrophobicContact CB-CE2 3.62Å; L294-F317 HydrophobicContact CB-CZ 4.34Å; L294-F317 HydrophobicContact CD2-CE2 4.42Å; L294-F317 HydrophobicContact CD2-CZ 4.34Å
295S98.7Very high96.2Very high56 Ų5666.9 Ų66.939%0.39235%0.354SS..EExtended strand (participates in β ladder)trans-123.4130.1163.5-73.20000107.6L275 S276 I313 N314L275-S295 CarbonylContact C-O 3.46Å; L275-S295 WeakPolarHBondContact CA-O 3.48Å; S276-S295 PolarHBondContact N-O 2.77Å; S276-S295 PolarHBondContact O-N 3.37Å; S295-I313 CarbonylContact C-O 3.5Å; S295-I313 WeakPolarHBondContact CA-O 3.14Å; S295-N314 WeakPolarHBondContact CB-OD1 3.29Å; S295-N314 PolarHBondContact OG-OD1 2.87Å
296M98.5Very high96.7Very high31 Ų3163.8 Ų63.815%0.15334%0.337CS..EExtended strand (participates in β ladder)trans-143.8139.5-178.4168.7180162.600110.1V270 L273 D274 L275 I312 I313V270-M296 HydrophobicContact CG2-CE 4.47Å; L273-M296 HydrophobicContact CD1-CE 3.65Å; L273-M296 HydrophobicContact CD1-CG 3.67Å; L273-M296 HydrophobicContact CD1-SD 3.9Å; D274-M296 VanDerWaalsContact O-CA 3.29Å; D274-M296 WeakPolarHBondContact O-CA 3.49Å; L275-M296 HydrophobicContact CB-CB 4.48Å; L275-M296 HydrophobicContact CD1-CB 4.44Å; L275-M296 HydrophobicContact CD1-CG 4.49Å; L275-M296 HydrophobicContact CD1-SD 4.2Å; L275-M296 HydrophobicContact CG-CB 4.45Å; M296-I312 CarbonylContact O-C 3.55Å; M296-I312 WeakPolarHBondContact O-CA 3.3Å; M296-I313 HydrophobicContact CB-CB 4.41Å; M296-I313 PolarHBondContact N-O 3.02Å; M296-I313 PolarHBondContact O-N 3.45Å; M296-I313 HydrophobicContact SD-CD1 4.37Å
297N98.7Very high97Very high68 Ų6863.6 Ų63.636%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-139.4158.8162.762.4-34.6000110.4L273 D274 P311 I312L273-N297 WeakPolarHBondContact CA-O 3.48Å; D274-N297 VanDerWaalsContact CB-OD1 3.32Å; D274-N297 WeakPolarHBondContact CB-OD1 3.27Å; D274-N297 PolarHBondContact N-O 3.14Å; D274-N297 PolarHBondContact O-N 2.81Å; D274-N297 VanDerWaalsContact O-O 3.1Å; D274-N297 PolarHBondContact O-OD1 2.8Å; N297-P311 WeakPolarHBondContact CA-O 3.37Å; N297-I312 HydrophobicContact CB-CG1 4.12Å
298A98.8Very high97.2Very high6 Ų662.5 Ų62.55%0.0533%0.331CS..  trans-150.3162.3173.500000109V270 T271 D272 D310 P311V270-A298 HydrophobicContact CG2-CB 3.71Å; T271-A298 WeakPolarHBondContact O-CB 3.4Å; D272-A298 WeakPolarHBondContact O-CA 3.37Å; A298-D310 VanDerWaalsContact O-CA 3.29Å; A298-D310 WeakPolarHBondContact O-CA 3.43Å; A298-P311 HydrophobicContact CB-CG 4.08Å; A298-P311 PolarHBondContact N-O 2.79Å; A298-P311 VanDerWaalsContact O-CD 3.28Å; A298-P311 WeakPolarHBondContact O-CD 3.45Å
299S98.7Very high97.4Very high41 Ų4159.9 Ų59.929%0.28732%0.318SS..SBendtrans-71.2-40.5167.3-65.20000110.7T271 D272 D310T271-S299 PolarHBondContact O-N 2.81Å; D272-S299 WeakPolarHBondContact CB-OG 3.19Å; D272-S299 WeakPolarHBondContact OD2-CB 3.34Å; D272-S299 PolarHBondContact OD2-OG 2.82Å; S299-D310 PolarHBondContact O-N 3.16Å
300E98.3Very high97.5Very high64 Ų6462.6 Ų62.630%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-146.8146.9-179.6-61.9-171.5-163.900111.8V270 T271 H307 L308 F309V270-E300 WeakPolarHBondContact CA-O 3.49Å; T271-E300 PolarHBondContact N-O 3Å; T271-E300 PolarHBondContact O-N 2.74Å; E300-H307 IonicContact OE2-CE1 2.78Å; E300-H307 IonicContact OE2-NE2 3.88Å; E300-H307 PolarHBondContact OE2-NE2 3.49Å; E300-L308 CarbonylContact C-O 3.56Å; E300-L308 WeakPolarHBondContact CA-O 3.28Å; E300-F309 HydrophobicContact CG-CD1 3.75Å; E300-F309 HydrophobicContact CG-CE1 4.16Å
301F98.5Very high97.6Very high56 Ų5655.1 Ų55.125%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-134.6125.8168.1177.1-87.5000109.8A269 V270 L308 P311A269-F301 CarbonylContact O-C 3.6Å; A269-F301 WeakPolarHBondContact O-CA 3.29Å; V270-F301 HydrophobicContact CB-CD2 4.34Å; V270-F301 HydrophobicContact CG2-CD2 4.38Å; F301-L308 HydrophobicContact CB-CB 4.22Å; F301-L308 HydrophobicContact CD1-CD1 4.18Å; F301-L308 PolarHBondContact N-O 2.93Å; F301-L308 PolarHBondContact O-N 3.37Å; F301-P311 HydrophobicContact CB-CG 4.07Å
302I98.3Very high97.7Very high48 Ų4852.6 Ų52.625%0.24629%0.287CS..EExtended strand (participates in β ladder)trans-119.6133.3-179.5-59.7174.5000108.7W268 A269 L306W268-I302 WeakPolarHBondContact CA-O 3.49Å; W268-I302 WeakPolarHBondContact CB-O 3.48Å; A269-I302 HydrophobicContact CB-CB 4.23Å; A269-I302 HydrophobicContact CB-CD1 4.32Å; A269-I302 PolarHBondContact N-O 2.84Å; A269-I302 PolarHBondContact O-N 2.84Å; I302-L306 CarbonylContact C-O 3.44Å; I302-L306 VanDerWaalsContact CA-O 3.32Å; I302-L306 WeakPolarHBondContact CA-O 3.46Å
303Y96.6Very high97.7Very high123 Ų12354.7 Ų54.748%0.48230%0.298SS..EExtended strand (participates in β ladder)trans-148.5104.3170.6-175.4-105.4000110.7L238 D267 W268 S305 L306L238-Y303 HydrophobicContact CB-CE2 4.19Å; L238-Y303 HydrophobicContact CD2-CD2 3.85Å; L238-Y303 HydrophobicContact CD2-CE2 3.85Å; D267-Y303 CarbonylContact O-C 3.55Å; D267-Y303 WeakPolarHBondContact O-CA 3.48Å; W268-Y303 HydrophobicContact CB-CD2 4.2Å; Y303-S305 PolarHBondContact O-N 2.86Å; Y303-L306 PolarHBondContact N-O 3.44Å; Y303-L306 WeakPolarHBondContact O-CB 3.36Å; Y303-L306 PolarHBondContact O-N 2.84Å
304G94.5Very high97.7Very high49 Ų4953.1 Ų53.151%0.50529%0.293SS..THydrogen-bonded Turntrans59.5-121.8-169.900000110.7D267D267-G304 PolarHBondContact O-N 3.23Å
305S91.6Very high97.7Very high118 Ų11852 Ų5283%0.82529%0.288SS*.THydrogen-bonded Turntrans-84.5-8.7175.256.60000114.2Y303 H307Y303-S305 PolarHBondContact O-N 2.86Å; S305-H307 PolarHBondContact O-N 3.45Å
306L94.7Very high97.7Very high62 Ų6252.6 Ų52.633%0.32529%0.285SS..EExtended strand (participates in β ladder)trans-77.4118.4177.6-18066.1000109.4I302 Y303 L308I302-L306 CarbonylContact C-O 3.44Å; I302-L306 VanDerWaalsContact CA-O 3.32Å; I302-L306 WeakPolarHBondContact CA-O 3.46Å; Y303-L306 PolarHBondContact N-O 3.44Å; Y303-L306 WeakPolarHBondContact O-CB 3.36Å; Y303-L306 PolarHBondContact O-N 2.84Å; L306-L308 HydrophobicContact CD1-CD2 3.88Å; L306-L308 HydrophobicContact CD1-CG 4.16Å; L306-L308 HydrophobicContact CD2-CD1 4.33Å; L306-L308 HydrophobicContact CD2-CG 4.34Å; L306-L308 HydrophobicContact CG-CD2 4.37Å; L306-L308 HydrophobicContact CG-CG 4.09Å
307H97.6Very high97.7Very high60 Ų6052.6 Ų52.628%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-123.4107.9173.7-167.6176.4000110.2E300 S305 F309E300-H307 IonicContact OE2-CE1 2.78Å; E300-H307 IonicContact OE2-NE2 3.88Å; E300-H307 PolarHBondContact OE2-NE2 3.49Å; S305-H307 PolarHBondContact O-N 3.45Å; H307-F309 AromaticContact CD2-CE2 3.93Å; H307-F309 AromaticContact CD2-CZ 3.84Å; H307-F309 AromaticContact CE1-CE1 3.47Å; H307-F309 VanDerWaalsContact CE1-CE1 3.47Å; H307-F309 WeakPolarHBondContact CE1-CE1 3.42Å; H307-F309 AromaticContact CE1-CE2 3.89Å; H307-F309 AromaticContact CE1-CZ 3.12Å; H307-F309 WeakPolarHBondContact CE1-CZ 3.41Å; H307-F309 AromaticContact CG-CE2 3.83Å; H307-F309 AromaticContact CG-CZ 3.86Å; H307-F309 AromaticContact ND1-CE2 3.81Å; H307-F309 AromaticContact ND1-CZ 3.42Å; H307-F309 WeakPolarHBondContact ND1-CZ 3.49Å; H307-F309 AromaticContact NE2-CE1 3.4Å; H307-F309 WeakPolarHBondContact NE2-CE1 3.44Å; H307-F309 AromaticContact NE2-CE2 3.96Å; H307-F309 AromaticContact NE2-CZ 3.39Å; H307-F309 WeakPolarHBondContact NE2-CZ 3.22Å
308L98.4Very high97.7Very high18 Ų1850.9 Ų50.99%0.09428%0.278CS..EExtended strand (participates in β ladder)trans-101133.6177.5-65.2-175.7000109.4E300 F301 L306 P311 F327 S329 W331E300-L308 CarbonylContact C-O 3.56Å; E300-L308 WeakPolarHBondContact CA-O 3.28Å; F301-L308 HydrophobicContact CB-CB 4.22Å; F301-L308 HydrophobicContact CD1-CD1 4.18Å; F301-L308 PolarHBondContact N-O 2.93Å; F301-L308 PolarHBondContact O-N 3.37Å; L306-L308 HydrophobicContact CD1-CD2 3.88Å; L306-L308 HydrophobicContact CD1-CG 4.16Å; L306-L308 HydrophobicContact CD2-CD1 4.33Å; L306-L308 HydrophobicContact CD2-CG 4.34Å; L306-L308 HydrophobicContact CG-CD2 4.37Å; L306-L308 HydrophobicContact CG-CG 4.09Å; L308-P311 HydrophobicContact CB-CB 4.39Å; L308-P311 HydrophobicContact CB-CG 4.47Å; L308-F327 HydrophobicContact CD1-CE2 4.36Å; L308-F327 HydrophobicContact CD1-CZ 4.2Å; L308-S329 VanDerWaalsContact CB-OG 3.29Å; L308-S329 WeakPolarHBondContact CB-OG 3.16Å; L308-W331 HydrophobicContact CD2-CB 3.98Å; L308-W331 HydrophobicContact CD2-CG 4.16Å
309F98.6Very high97.7Very high54 Ų5453.3 Ų53.324%0.23729%0.293CS..EExtended strand (participates in β ladder)trans-114141172.1-54.3-99.5000111.1E300 H307 P311 S329 R330E300-F309 HydrophobicContact CG-CD1 3.75Å; E300-F309 HydrophobicContact CG-CE1 4.16Å; H307-F309 AromaticContact CD2-CE2 3.93Å; H307-F309 AromaticContact CD2-CZ 3.84Å; H307-F309 AromaticContact CE1-CE1 3.47Å; H307-F309 VanDerWaalsContact CE1-CE1 3.47Å; H307-F309 WeakPolarHBondContact CE1-CE1 3.42Å; H307-F309 AromaticContact CE1-CE2 3.89Å; H307-F309 AromaticContact CE1-CZ 3.12Å; H307-F309 WeakPolarHBondContact CE1-CZ 3.41Å; H307-F309 AromaticContact CG-CE2 3.83Å; H307-F309 AromaticContact CG-CZ 3.86Å; H307-F309 AromaticContact ND1-CE2 3.81Å; H307-F309 AromaticContact ND1-CZ 3.42Å; H307-F309 WeakPolarHBondContact ND1-CZ 3.49Å; H307-F309 AromaticContact NE2-CE1 3.4Å; H307-F309 WeakPolarHBondContact NE2-CE1 3.44Å; H307-F309 AromaticContact NE2-CE2 3.96Å; H307-F309 AromaticContact NE2-CZ 3.39Å; H307-F309 WeakPolarHBondContact NE2-CZ 3.22Å; F309-P311 VanDerWaalsContact C-N 3.31Å; F309-S329 PolarHBondContact N-OG 2.8Å; F309-S329 PolarHBondContact O-OG 3.27Å; F309-S329 VanDerWaalsContact O-OG 3.07Å; F309-R330 HydrophobicContact CB-CB 4.01Å; F309-R330 VanDerWaalsContact CB-CZ 3.46Å; F309-R330 VanDerWaalsContact CB-NH2 3.31Å; F309-R330 PolarHBondContact N-O 2.71Å; F309-R330 PolarHBondContact O-N 2.79Å
310D98.6Very high97.6Very high78 Ų7857.7 Ų57.742%0.41731%0.309SS..EExtended strand (participates in β ladder)trans48.543.3-174.2-47.9-55.8000113.7A298 S299 I312 R330A298-D310 VanDerWaalsContact O-CA 3.29Å; A298-D310 WeakPolarHBondContact O-CA 3.43Å; S299-D310 PolarHBondContact O-N 3.16Å; D310-I312 PolarHBondContact O-N 2.71Å; D310-R330 IonicContact OD2-CZ 2.69Å; D310-R330 IonicContact OD2-NE 2.96Å; D310-R330 PolarHBondContact OD2-NE 2.78Å; D310-R330 IonicContact OD2-NH2 3.25Å; D310-R330 PolarHBondContact OD2-NH2 2.94Å
311P98.6Very high97.6Very high4 Ų454.8 Ų54.83%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-63.9136.7179.228.5-37000110.7N297 A298 F301 L308 F309 T328N297-P311 WeakPolarHBondContact CA-O 3.37Å; A298-P311 HydrophobicContact CB-CG 4.08Å; A298-P311 PolarHBondContact N-O 2.79Å; A298-P311 VanDerWaalsContact O-CD 3.28Å; A298-P311 WeakPolarHBondContact O-CD 3.45Å; F301-P311 HydrophobicContact CB-CG 4.07Å; L308-P311 HydrophobicContact CB-CB 4.39Å; L308-P311 HydrophobicContact CB-CG 4.47Å; F309-P311 VanDerWaalsContact C-N 3.31Å; P311-T328 CarbonylContact C-O 3.52Å; P311-T328 VanDerWaalsContact CA-O 3.3Å; P311-T328 WeakPolarHBondContact CA-O 3.16Å
312I98.8Very high97.6Very high61 Ų6153.3 Ų53.331%0.31329%0.292SS..EExtended strand (participates in β ladder)trans-126.9128.4171.6-58.7170.5000108.1M296 N297 D310 F327 T328M296-I312 CarbonylContact O-C 3.55Å; M296-I312 WeakPolarHBondContact O-CA 3.3Å; N297-I312 HydrophobicContact CB-CG1 4.12Å; D310-I312 PolarHBondContact O-N 2.71Å; I312-F327 CarbonylContact O-C 3.55Å; I312-F327 VanDerWaalsContact O-CA 3.27Å; I312-F327 WeakPolarHBondContact O-CA 3.41Å; I312-T328 HydrophobicContact CB-CG2 3.76Å; I312-T328 HydrophobicContact CD1-CG2 3.98Å; I312-T328 HydrophobicContact CG1-CG2 4.18Å; I312-T328 PolarHBondContact N-O 2.75Å; I312-T328 PolarHBondContact O-N 2.75Å
313I98.7Very high97.6Very high44 Ų4451.7 Ų51.723%0.22629%0.286CS..EExtended strand (participates in β ladder)trans-127.9125.2177.9-60.7166.8000108.9L294 S295 M296 L324 Q326 F327L294-I313 HydrophobicContact CD2-CG2 4.5Å; S295-I313 CarbonylContact C-O 3.5Å; S295-I313 WeakPolarHBondContact CA-O 3.14Å; M296-I313 HydrophobicContact CB-CB 4.41Å; M296-I313 PolarHBondContact N-O 3.02Å; M296-I313 PolarHBondContact O-N 3.45Å; M296-I313 HydrophobicContact SD-CD1 4.37Å; I313-L324 HydrophobicContact CG2-CD1 4.3Å; I313-Q326 CarbonylContact C-O 3.41Å; I313-Q326 WeakPolarHBondContact CA-O 3.42Å; I313-F327 HydrophobicContact CG1-CD2 3.88Å; I313-F327 HydrophobicContact CG1-CE2 4.44Å
314N98.8Very high97.7Very high42 Ų4247.5 Ų47.523%0.22527%0.271CS..EExtended strand (participates in β ladder)trans-126.1119.2168.7-69.2-52.8000108.9L294 S295 R325 Q326L294-N314 CarbonylContact O-C 3.51Å; L294-N314 WeakPolarHBondContact O-CA 3.33Å; S295-N314 WeakPolarHBondContact CB-OD1 3.29Å; S295-N314 PolarHBondContact OG-OD1 2.87Å; N314-R325 HydrophobicContact CB-CB 4.16Å; N314-R325 WeakPolarHBondContact O-CB 3.35Å; N314-R325 PolarHBondContact O-N 2.94Å; N314-Q326 HydrophobicContact CB-CB 4.21Å; N314-Q326 PolarHBondContact N-O 3.29Å; N314-Q326 PolarHBondContact ND2-OE1 2.83Å; N314-Q326 PolarHBondContact O-N 3.27Å; N314-Q326 VanDerWaalsContact O-N 3.17Å
315A98.8Very high97.9Very high8 Ų852.2 Ų52.27%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-138.1142-176.200000111.9L294 F317 V322 A323L294-A315 HydrophobicContact CB-CB 4.42Å; L294-A315 PolarHBondContact N-O 2.96Å; L294-A315 PolarHBondContact O-N 3.1Å; A315-F317 HydrophobicContact CB-CE2 3.82Å; A315-F317 HydrophobicContact CB-CZ 4.29Å; A315-V322 HydrophobicContact CB-CG1 3.81Å; A315-A323 CarbonylContact C-O 3.57Å; A315-A323 WeakPolarHBondContact CA-O 3.38Å
316E98.7Very high98.2Very high70 Ų7050.5 Ų50.533%0.32725%0.253SS..EExtended strand (participates in β ladder)trans-115.6135.6172.4-62177.3163.600108.9G292 K293 V322 A323 R325G292-E316 CarbonylContact O-C 3.53Å; G292-E316 WeakPolarHBondContact O-CA 3.26Å; K293-E316 HydrophobicContact CG-CG 4.34Å; E316-V322 CarbonylContact O-C 3.5Å; E316-V322 VanDerWaalsContact O-CA 3.31Å; E316-V322 WeakPolarHBondContact O-CA 3.4Å; E316-A323 HydrophobicContact CB-CB 4.36Å; E316-A323 PolarHBondContact N-O 2.87Å; E316-A323 PolarHBondContact O-N 3.48Å; E316-R325 HydrophobicContact CG-CG 4.29Å; E316-R325 IonicContact OE1-NE 3.16Å; E316-R325 IonicContact OE2-CZ 3.66Å; E316-R325 VanDerWaalsContact OE2-CZ 3.25Å; E316-R325 IonicContact OE2-NE 2.71Å; E316-R325 PolarHBondContact OE2-NE 3.07Å; E316-R325 IonicContact OE2-NH2 3.68Å; E316-R325 PolarHBondContact OE2-NH2 2.85Å
317F98.6Very high98.4Very high30 Ų3049.5 Ų49.513%0.13225%0.246CC..EExtended strand (participates in β ladder)trans-114.4138.2-173.4-64.9-107.4000109.2M280 W287 T289 G292 L294 A315 V322M280-F317 HydrophobicContact CE-CB 3.93Å; M280-F317 HydrophobicContact CE-CD1 3.72Å; M280-F317 HydrophobicContact CE-CD2 3.82Å; M280-F317 HydrophobicContact CE-CE1 4.15Å; M280-F317 HydrophobicContact CE-CE2 4.25Å; M280-F317 HydrophobicContact CE-CG 3.56Å; M280-F317 HydrophobicContact CE-CZ 4.4Å; W287-F317 HydrophobicContact CD2-CD1 4.01Å; W287-F317 AromaticContact CE2-CD1 3.96Å; W287-F317 HydrophobicContact CE3-CB 4.39Å; W287-F317 AromaticContact CE3-CD1 3.91Å; W287-F317 HydrophobicContact CE3-CD1 3.91Å; W287-F317 HydrophobicContact CH2-CB 4.31Å; W287-F317 AromaticContact CH2-CD1 3.8Å; W287-F317 HydrophobicContact CH2-CD1 3.8Å; W287-F317 AromaticContact CZ2-CD1 3.86Å; W287-F317 HydrophobicContact CZ2-CD1 3.86Å; W287-F317 HydrophobicContact CZ2-CE1 4.42Å; W287-F317 HydrophobicContact CZ3-CB 3.9Å; W287-F317 AromaticContact CZ3-CD1 3.83Å; W287-F317 HydrophobicContact CZ3-CD1 3.83Å; W287-F317 HydrophobicContact CZ3-CG 4.37Å; T289-F317 HydrophobicContact CG2-CB 3.42Å; T289-F317 VanDerWaalsContact CG2-CB 3.42Å; G292-F317 PolarHBondContact N-O 3.37Å; G292-F317 PolarHBondContact O-N 2.78Å; L294-F317 HydrophobicContact CB-CE2 3.62Å; L294-F317 HydrophobicContact CB-CZ 4.34Å; L294-F317 HydrophobicContact CD2-CE2 4.42Å; L294-F317 HydrophobicContact CD2-CZ 4.34Å; A315-F317 HydrophobicContact CB-CE2 3.82Å; A315-F317 HydrophobicContact CB-CZ 4.29Å; F317-V322 HydrophobicContact CD1-CG1 4.41Å; F317-V322 HydrophobicContact CD1-CG2 3.52Å; F317-V322 HydrophobicContact CE1-CG1 4.23Å; F317-V322 HydrophobicContact CE1-CG2 3.61Å; F317-V322 HydrophobicContact CG-CG2 4.3Å; F317-V322 HydrophobicContact CZ-CG1 4.28Å; F317-V322 HydrophobicContact CZ-CG2 4.44Å
318S98.1Very high98.5Very high33 Ų3347.7 Ų47.723%0.23124%0.239CC..EExtended strand (participates in β ladder)trans-141.3173.1174.5800000109.9W287 Q320 G321W287-S318 WeakPolarHBondContact CH2-O 3.43Å; W287-S318 WeakPolarHBondContact CZ3-O 3.5Å; S318-Q320 VanDerWaalsContact CB-OE1 3.27Å; S318-Q320 PolarHBondContact O-N 3.35Å; S318-Q320 VanDerWaalsContact O-N 3.13Å; S318-Q320 PolarHBondContact OG-N 3.49Å; S318-Q320 PolarHBondContact OG-OE1 3.47Å; S318-G321 PolarHBondContact N-O 2.83Å; S318-G321 PolarHBondContact O-N 2.76Å; S318-G321 VanDerWaalsContact O-N 3.09Å; S318-G321 VanDerWaalsContact O-O 3.1Å
319P97.7Very high98.5Very high57 Ų5746.9 Ų46.937%0.3724%0.235SC..THydrogen-bonded Turntrans-58.1-27.9175.2-25.335.9000113.1T289 R344T289-P319 WeakPolarHBondContact O-CD 3.47Å; T289-P319 WeakPolarHBondContact O-CG 3.12Å; P319-R344 WeakPolarHBondContact O-CD 3.49Å
320Q97Very high98.5Very high132 Ų13249.2 Ų49.262%0.61724%0.242SC*.THydrogen-bonded Turntrans-79-20.5-179.3-57.379.811.700113S318 R344S318-Q320 VanDerWaalsContact CB-OE1 3.27Å; S318-Q320 PolarHBondContact O-N 3.35Å; S318-Q320 VanDerWaalsContact O-N 3.13Å; S318-Q320 PolarHBondContact OG-N 3.49Å; S318-Q320 PolarHBondContact OG-OE1 3.47Å; Q320-R344 WeakPolarHBondContact O-CB 3.34Å; Q320-R344 PolarHBondContact O-N 2.86Å
321G98.1Very high98.4Very high4 Ų448 Ų484%0.04123%0.232CC..EExtended strand (participates in β ladder)trans148-147.1-178.200000114.1W287 S318 W342W287-G321 WeakPolarHBondContact CH2-O 3.34Å; S318-G321 PolarHBondContact N-O 2.83Å; S318-G321 PolarHBondContact O-N 2.76Å; S318-G321 VanDerWaalsContact O-N 3.09Å; S318-G321 VanDerWaalsContact O-O 3.1Å; G321-W342 CarbonylContact C-O 3.57Å; G321-W342 VanDerWaalsContact CA-O 3.24Å; G321-W342 WeakPolarHBondContact CA-O 3.3Å
322V98.6Very high98.3Very high24 Ų2451.6 Ų51.615%0.14525%0.248CC..EExtended strand (participates in β ladder)trans-125.3121.8-175.3-174.90000109.8W287 A315 E316 F317 N341 W342W287-V322 HydrophobicContact CH2-CG2 3.99Å; W287-V322 HydrophobicContact CZ2-CG2 3.65Å; A315-V322 HydrophobicContact CB-CG1 3.81Å; E316-V322 CarbonylContact O-C 3.5Å; E316-V322 VanDerWaalsContact O-CA 3.31Å; E316-V322 WeakPolarHBondContact O-CA 3.4Å; F317-V322 HydrophobicContact CD1-CG1 4.41Å; F317-V322 HydrophobicContact CD1-CG2 3.52Å; F317-V322 HydrophobicContact CE1-CG1 4.23Å; F317-V322 HydrophobicContact CE1-CG2 3.61Å; F317-V322 HydrophobicContact CG-CG2 4.3Å; F317-V322 HydrophobicContact CZ-CG1 4.28Å; F317-V322 HydrophobicContact CZ-CG2 4.44Å; V322-N341 CarbonylContact O-C 3.59Å; V322-N341 VanDerWaalsContact O-CA 3.26Å; V322-N341 WeakPolarHBondContact O-CA 3.29Å; V322-W342 HydrophobicContact CB-CB 4.3Å; V322-W342 HydrophobicContact CG2-CE3 3.99Å; V322-W342 PolarHBondContact N-O 3.01Å; V322-W342 PolarHBondContact O-N 2.86Å
323A98.7Very high98.1Very high15 Ų1552.3 Ų52.312%0.12427%0.271CS..EExtended strand (participates in β ladder)trans-86.7104.8164.700000108.8A315 E316 R325 G340 N341A315-A323 CarbonylContact C-O 3.57Å; A315-A323 WeakPolarHBondContact CA-O 3.38Å; E316-A323 HydrophobicContact CB-CB 4.36Å; E316-A323 PolarHBondContact N-O 2.87Å; E316-A323 PolarHBondContact O-N 3.48Å; A323-R325 PolarHBondContact O-N 3.31Å; A323-G340 CarbonylContact C-O 3.58Å; A323-N341 WeakPolarHBondContact CB-OD1 3.34Å
324L98.7Very high98Very high34 Ų3450.4 Ų50.418%0.17826%0.262CS..EExtended strand (participates in β ladder)trans-78.895.2173.1-179.564.9000108.6I313 Q326 F327 T338 S339 G340I313-L324 HydrophobicContact CG2-CD1 4.3Å; L324-Q326 VanDerWaalsContact C-N 3.35Å; L324-F327 HydrophobicContact CD1-CB 4.31Å; L324-F327 HydrophobicContact CD2-CB 4.12Å; L324-T338 HydrophobicContact CD2-CG2 3.93Å; L324-S339 CarbonylContact O-C 3.55Å; L324-S339 VanDerWaalsContact O-CA 3.3Å; L324-S339 WeakPolarHBondContact O-CA 3.37Å; L324-S339 WeakPolarHBondContact O-CB 3.44Å; L324-G340 WeakPolarHBondContact CA-O 3.48Å; L324-G340 PolarHBondContact N-O 3.43Å; L324-G340 PolarHBondContact O-N 2.84Å
325R98.5Very high98Very high148 Ų14852.5 Ų52.556%0.55827%0.272SS*.EExtended strand (participates in β ladder)trans-67.8-38.2-179.9-61.2-59.8-175.9-169.7-1.6111.6N314 E316 A323 S339N314-R325 HydrophobicContact CB-CB 4.16Å; N314-R325 WeakPolarHBondContact O-CB 3.35Å; N314-R325 PolarHBondContact O-N 2.94Å; E316-R325 HydrophobicContact CG-CG 4.29Å; E316-R325 IonicContact OE1-NE 3.16Å; E316-R325 IonicContact OE2-CZ 3.66Å; E316-R325 VanDerWaalsContact OE2-CZ 3.25Å; E316-R325 IonicContact OE2-NE 2.71Å; E316-R325 PolarHBondContact OE2-NE 3.07Å; E316-R325 IonicContact OE2-NH2 3.68Å; E316-R325 PolarHBondContact OE2-NH2 2.85Å; A323-R325 PolarHBondContact O-N 3.31Å; R325-S339 WeakPolarHBondContact O-CB 3.25Å
326Q98.3Very high98Very high82 Ų8253.3 Ų53.338%0.38328%0.276SS..EExtended strand (participates in β ladder)trans-157.3133.2178.6-173.5179.214.400110.6I313 N314 L324I313-Q326 CarbonylContact C-O 3.41Å; I313-Q326 WeakPolarHBondContact CA-O 3.42Å; N314-Q326 HydrophobicContact CB-CB 4.21Å; N314-Q326 PolarHBondContact N-O 3.29Å; N314-Q326 PolarHBondContact ND2-OE1 2.83Å; N314-Q326 PolarHBondContact O-N 3.27Å; N314-Q326 VanDerWaalsContact O-N 3.17Å; L324-Q326 VanDerWaalsContact C-N 3.35Å
327F98.7Very high98Very high42 Ų4255.7 Ų55.718%0.18428%0.282CS..EExtended strand (participates in β ladder)trans-124.1132154.4171-104.1000107.7L308 I312 I313 L324 V336 R337 T338L308-F327 HydrophobicContact CD1-CE2 4.36Å; L308-F327 HydrophobicContact CD1-CZ 4.2Å; I312-F327 CarbonylContact O-C 3.55Å; I312-F327 VanDerWaalsContact O-CA 3.27Å; I312-F327 WeakPolarHBondContact O-CA 3.41Å; I313-F327 HydrophobicContact CG1-CD2 3.88Å; I313-F327 HydrophobicContact CG1-CE2 4.44Å; L324-F327 HydrophobicContact CD1-CB 4.31Å; L324-F327 HydrophobicContact CD2-CB 4.12Å; F327-V336 HydrophobicContact CD1-CG1 4.44Å; F327-V336 HydrophobicContact CE1-CB 4.4Å; F327-V336 HydrophobicContact CE1-CG1 3.93Å; F327-R337 CarbonylContact O-C 3.5Å; F327-R337 WeakPolarHBondContact O-CA 3.34Å; F327-T338 HydrophobicContact CB-CG2 3.9Å; F327-T338 HydrophobicContact CD1-CG2 3.97Å; F327-T338 HydrophobicContact CG-CG2 4.35Å; F327-T338 PolarHBondContact N-O 2.91Å; F327-T338 PolarHBondContact O-N 2.9Å
328T98.8Very high98Very high21 Ų2155.3 Ų55.313%0.12928%0.282CS..EExtended strand (participates in β ladder)trans-145.3145.1166.7-177.90000109.9P311 I312 M335 V336P311-T328 CarbonylContact C-O 3.52Å; P311-T328 VanDerWaalsContact CA-O 3.3Å; P311-T328 WeakPolarHBondContact CA-O 3.16Å; I312-T328 HydrophobicContact CB-CG2 3.76Å; I312-T328 HydrophobicContact CD1-CG2 3.98Å; I312-T328 HydrophobicContact CG1-CG2 4.18Å; I312-T328 PolarHBondContact N-O 2.75Å; I312-T328 PolarHBondContact O-N 2.75Å; T328-M335 WeakPolarHBondContact OG1-CE 3.5Å; T328-V336 CarbonylContact C-O 3.51Å; T328-V336 VanDerWaalsContact CA-O 3.25Å; T328-V336 WeakPolarHBondContact CA-O 3.41Å
329S98.7Very high98Very high1 Ų155.3 Ų55.31%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-160.3155.7174.5-171.40000110L308 F309 V336L308-S329 VanDerWaalsContact CB-OG 3.29Å; L308-S329 WeakPolarHBondContact CB-OG 3.16Å; F309-S329 PolarHBondContact N-OG 2.8Å; F309-S329 PolarHBondContact O-OG 3.27Å; F309-S329 VanDerWaalsContact O-OG 3.07Å; S329-V336 PolarHBondContact N-O 2.93Å; S329-V336 PolarHBondContact O-N 2.98Å
330R98.4Very high98.1Very high104 Ų10452.8 Ų52.839%0.39227%0.266SS..EExtended strand (participates in β ladder)trans-80.4139.7157.7-71.5-179.2-55.8112.1-7.8109.6F309 D310 G334 M335F309-R330 HydrophobicContact CB-CB 4.01Å; F309-R330 VanDerWaalsContact CB-CZ 3.46Å; F309-R330 VanDerWaalsContact CB-NH2 3.31Å; F309-R330 PolarHBondContact N-O 2.71Å; F309-R330 PolarHBondContact O-N 2.79Å; D310-R330 IonicContact OD2-CZ 2.69Å; D310-R330 IonicContact OD2-NE 2.96Å; D310-R330 PolarHBondContact OD2-NE 2.78Å; D310-R330 IonicContact OD2-NH2 3.25Å; D310-R330 PolarHBondContact OD2-NH2 2.94Å; R330-G334 CarbonylContact C-O 3.58Å; R330-G334 WeakPolarHBondContact CA-O 3.37Å; R330-M335 HydrophobicContact CB-SD 4.31Å; R330-M335 HydrophobicContact CG-CE 4.43Å; R330-M335 HydrophobicContact CG-SD 3.21Å; R330-M335 WeakPolarHBondContact CG-SD 3.31Å
331W97.7Very high98.2Very high53 Ų5349 Ų4920%0.20125%0.25CS..EExtended strand (participates in β ladder)trans-156130.6179.1177.955.3000109.3L308 G333 G334 V336 L359 Y361L308-W331 HydrophobicContact CD2-CB 3.98Å; L308-W331 HydrophobicContact CD2-CG 4.16Å; W331-G333 PolarHBondContact O-N 2.65Å; W331-G334 PolarHBondContact N-O 3.17Å; W331-G334 CarbonylContact O-C 3.43Å; W331-G334 PolarHBondContact O-N 2.85Å; W331-V336 HydrophobicContact CB-CG2 4.3Å; W331-V336 HydrophobicContact CE3-CG2 3.85Å; W331-L359 HydrophobicContact CD2-CD1 4.27Å; W331-L359 HydrophobicContact CE3-CD1 3.51Å; W331-L359 HydrophobicContact CH2-CD1 4.43Å; W331-L359 HydrophobicContact CZ3-CD1 3.62Å; W331-L359 HydrophobicContact CZ3-CD2 4.28Å; W331-Y361 HydrophobicContact CH2-CD2 4.48Å; W331-Y361 HydrophobicContact CH2-CE2 4.35Å; W331-Y361 HydrophobicContact CZ2-CD2 4.34Å; W331-Y361 AromaticContact CZ2-CE2 3.97Å; W331-Y361 HydrophobicContact CZ2-CE2 3.97Å
332E96.5Very high98.2Very high78 Ų7850.8 Ų50.836%0.36426%0.256SS..THydrogen-bonded Turntrans48.455.5175.9-60.4-74.1178.700112.6G334 L359 E360 Y361E332-G334 PolarHBondContact O-N 2.81Å; E332-L359 HydrophobicContact CB-CD1 3.66Å; E332-E360 PolarHBondContact O-N 2.87Å; E332-Y361 HydrophobicContact CB-CD2 4.22Å; E332-Y361 HydrophobicContact CG-CD2 3.66Å; E332-Y361 HydrophobicContact CG-CE2 4.08Å
333G94.1Very high98.2Very high77 Ų7753.1 Ų53.179%0.79427%0.267SS*.THydrogen-bonded Turntrans74.3-16.8-178.600000115.7W331 G358W331-G333 PolarHBondContact O-N 2.65Å; G333-G358 CarbonylContact C-O 3.56Å
334G97.6Very high98.1Very high4 Ų455.4 Ų55.44%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-108.6-171.3-174.800000115.1R330 W331 E332 A357 G358R330-G334 CarbonylContact C-O 3.58Å; R330-G334 WeakPolarHBondContact CA-O 3.37Å; W331-G334 PolarHBondContact N-O 3.17Å; W331-G334 CarbonylContact O-C 3.43Å; W331-G334 PolarHBondContact O-N 2.85Å; E332-G334 PolarHBondContact O-N 2.81Å; G334-A357 CarbonylContact C-O 3.55Å; G334-A357 WeakPolarHBondContact CA-O 3.21Å; G334-G358 VanDerWaalsContact CA-C 3.46Å; G334-G358 WeakPolarHBondContact CA-O 3.45Å; G334-G358 PolarHBondContact N-O 3.2Å
335M98.1Very high98Very high86 Ų8660.9 Ų60.942%0.42430%0.302SS..EExtended strand (participates in β ladder)trans-116135.4174-69.9-66.4-54.500110T328 R330 I356 A357T328-M335 WeakPolarHBondContact OG1-CE 3.5Å; R330-M335 HydrophobicContact CB-SD 4.31Å; R330-M335 HydrophobicContact CG-CE 4.43Å; R330-M335 HydrophobicContact CG-SD 3.21Å; R330-M335 WeakPolarHBondContact CG-SD 3.31Å; M335-I356 CarbonylContact O-C 3.51Å; M335-I356 WeakPolarHBondContact O-CA 3.45Å; M335-A357 PolarHBondContact N-O 3.28Å; M335-A357 PolarHBondContact O-N 2.85Å
336V98.5Very high97.9Very high25 Ų2555.6 Ų55.615%0.15229%0.294CS..EExtended strand (participates in β ladder)trans-118134.2168.5-178.60000108.3F327 T328 S329 W331 A355 I356F327-V336 HydrophobicContact CD1-CG1 4.44Å; F327-V336 HydrophobicContact CE1-CB 4.4Å; F327-V336 HydrophobicContact CE1-CG1 3.93Å; T328-V336 CarbonylContact C-O 3.51Å; T328-V336 VanDerWaalsContact CA-O 3.25Å; T328-V336 WeakPolarHBondContact CA-O 3.41Å; S329-V336 PolarHBondContact N-O 2.93Å; S329-V336 PolarHBondContact O-N 2.98Å; W331-V336 HydrophobicContact CB-CG2 4.3Å; W331-V336 HydrophobicContact CE3-CG2 3.85Å; V336-A355 WeakPolarHBondContact CA-O 3.31Å; V336-I356 HydrophobicContact CG2-CG1 4.38Å; V336-I356 HydrophobicContact CG2-CG2 4.46Å
337R98.5Very high97.9Very high120 Ų12056.1 Ų56.145%0.45330%0.295SS..EExtended strand (participates in β ladder)trans-141.5144.2170.364.7-179.8-172.679.814.5111.8F327 D353 A354 A355F327-R337 CarbonylContact O-C 3.5Å; F327-R337 WeakPolarHBondContact O-CA 3.34Å; R337-D353 IonicContact CZ-OD2 2.87Å; R337-D353 VanDerWaalsContact CZ-OD2 3.25Å; R337-D353 IonicContact NH1-OD2 3.52Å; R337-D353 PolarHBondContact NH1-OD2 2.83Å; R337-D353 IonicContact NH2-OD2 3.51Å; R337-D353 PolarHBondContact NH2-OD2 3.17Å; R337-A354 WeakPolarHBondContact O-CA 3.35Å; R337-A355 HydrophobicContact CG-CB 3.78Å; R337-A355 PolarHBondContact N-O 3.05Å; R337-A355 PolarHBondContact O-N 2.72Å
338T98.7Very high97.9Very high21 Ų2155.2 Ų55.213%0.12929%0.292CS..EExtended strand (participates in β ladder)trans-152.4162.9172.9-166.90000113L324 F327 L351 D353L324-T338 HydrophobicContact CD2-CG2 3.93Å; F327-T338 HydrophobicContact CB-CG2 3.9Å; F327-T338 HydrophobicContact CD1-CG2 3.97Å; F327-T338 HydrophobicContact CG-CG2 4.35Å; F327-T338 PolarHBondContact N-O 2.91Å; F327-T338 PolarHBondContact O-N 2.9Å; T338-L351 HydrophobicContact CG2-CD2 4.23Å; T338-D353 WeakPolarHBondContact CA-O 3.35Å; T338-D353 WeakPolarHBondContact CB-O 3.39Å; T338-D353 PolarHBondContact OG1-O 2.76Å
339S98.8Very high97.9Very high34 Ų3455.6 Ų55.624%0.23829%0.294CS..EExtended strand (participates in β ladder)trans-147.5156.9170.358.90000108.3L324 R325 L351 D352 D353L324-S339 CarbonylContact O-C 3.55Å; L324-S339 VanDerWaalsContact O-CA 3.3Å; L324-S339 WeakPolarHBondContact O-CA 3.37Å; L324-S339 WeakPolarHBondContact O-CB 3.44Å; R325-S339 WeakPolarHBondContact O-CB 3.25Å; S339-L351 CarbonylContact O-C 3.6Å; S339-L351 WeakPolarHBondContact O-CA 3.46Å; S339-D352 PolarHBondContact O-N 2.85Å; S339-D353 PolarHBondContact N-O 2.78Å
340G98.7Very high97.9Very high3 Ų356.9 Ų56.93%0.03130%0.3CS..EExtended strand (participates in β ladder)trans163-156.1-178.400000113.6A323 L324 I350A323-G340 CarbonylContact C-O 3.58Å; L324-G340 WeakPolarHBondContact CA-O 3.48Å; L324-G340 PolarHBondContact N-O 3.43Å; L324-G340 PolarHBondContact O-N 2.84Å; G340-I350 CarbonylContact C-O 3.42Å; G340-I350 WeakPolarHBondContact CA-O 3.49Å
341N98.7Very high97.9Very high54 Ų5452.8 Ų52.829%0.28929%0.286SS..EExtended strand (participates in β ladder)trans-137.5130.9-177.7-58.5-84.2000110V322 A323 I350V322-N341 CarbonylContact O-C 3.59Å; V322-N341 VanDerWaalsContact O-CA 3.26Å; V322-N341 WeakPolarHBondContact O-CA 3.29Å; A323-N341 WeakPolarHBondContact CB-OD1 3.34Å; N341-I350 PolarHBondContact N-O 3.07Å; N341-I350 PolarHBondContact O-N 3.49Å
342W98.7Very high98Very high40 Ų4053 Ų5315%0.15229%0.291CS..EExtended strand (participates in β ladder)trans-95.7117.2163.1178.782.1000108.5W287 G321 V322 R344 K347 T348 L349 W378W287-W342 HydrophobicContact CZ2-CE3 4.44Å; W287-W342 AromaticContact CZ2-CZ3 3.82Å; W287-W342 HydrophobicContact CZ2-CZ3 3.82Å; G321-W342 CarbonylContact C-O 3.57Å; G321-W342 VanDerWaalsContact CA-O 3.24Å; G321-W342 WeakPolarHBondContact CA-O 3.3Å; V322-W342 HydrophobicContact CB-CB 4.3Å; V322-W342 HydrophobicContact CG2-CE3 3.99Å; V322-W342 PolarHBondContact N-O 3.01Å; V322-W342 PolarHBondContact O-N 2.86Å; W342-R344 HydrophobicContact CE3-CB 4.44Å; W342-R344 HydrophobicContact CH2-CB 4.04Å; W342-R344 HydrophobicContact CH2-CG 4.1Å; W342-R344 HydrophobicContact CZ3-CB 3.71Å; W342-R344 HydrophobicContact CZ3-CG 4.14Å; W342-K347 HydrophobicContact CZ2-CG 4.23Å; W342-T348 CarbonylContact C-O 3.53Å; W342-T348 WeakPolarHBondContact CA-O 3.07Å; W342-L349 HydrophobicContact CB-CD1 4.08Å; W342-W378 AromaticContact NE1-CE3 3.85Å; W342-W378 PolarHBondContact NE1-O 2.69Å
343L98.4Very high98Very high73 Ų7349.7 Ų49.738%0.38228%0.276SS..EExtended strand (participates in β ladder)trans-87123.4175.5-57.2-178.5000108.6D345 K347 T348 I350L343-D345 VanDerWaalsContact C-N 3.34Å; L343-K347 CarbonylContact O-C 3.54Å; L343-K347 WeakPolarHBondContact O-CA 3.32Å; L343-K347 PolarHBondContact O-N 2.9Å; L343-T348 PolarHBondContact N-O 2.85Å; L343-T348 PolarHBondContact O-N 2.9Å; L343-T348 VanDerWaalsContact O-N 3.1Å; L343-I350 HydrophobicContact CD1-CD1 3.8Å; L343-I350 HydrophobicContact CG-CD1 4.36Å
344R96.8Very high98.2Very high63 Ų6346.6 Ų46.624%0.23824%0.243CC..THydrogen-bonded Turntrans-63.6-44.4178-179.1-177.8-78.2-108.12110.5D286 W287 P319 Q320 W342 G346 K347D286-R344 VanDerWaalsContact CG-NH1 3.31Å; D286-R344 IonicContact OD1-CZ 2.89Å; D286-R344 IonicContact OD1-NH1 2.69Å; D286-R344 PolarHBondContact OD1-NH1 3.12Å; D286-R344 VanDerWaalsContact OD1-NH1 3.15Å; D286-R344 IonicContact OD1-NH2 2.96Å; D286-R344 IonicContact OD2-CZ 2.72Å; D286-R344 IonicContact OD2-NH1 3.05Å; D286-R344 PolarHBondContact OD2-NH1 3.3Å; W287-R344 PolarHBondContact O-NH2 2.88Å; P319-R344 WeakPolarHBondContact O-CD 3.49Å; Q320-R344 WeakPolarHBondContact O-CB 3.34Å; Q320-R344 PolarHBondContact O-N 2.86Å; W342-R344 HydrophobicContact CE3-CB 4.44Å; W342-R344 HydrophobicContact CH2-CB 4.04Å; W342-R344 HydrophobicContact CH2-CG 4.1Å; W342-R344 HydrophobicContact CZ3-CB 3.71Å; W342-R344 HydrophobicContact CZ3-CG 4.14Å; R344-G346 PolarHBondContact O-N 2.74Å; R344-K347 PolarHBondContact O-N 2.6Å
345D96.7Very high98.3Very high149 Ų14946.8 Ų46.880%0.79724%0.244SC*.G310 helixtrans-66.3128.5171.3-172.527.9000109.9L343 K347L343-D345 VanDerWaalsContact C-N 3.34Å; D345-K347 PolarHBondContact O-N 3.3Å
346G96.8Very high98.3Very high38 Ų3844.8 Ų44.839%0.39224%0.235SC..G310 helixtrans63.52.8-174.800000116R344 T348 N380R344-G346 PolarHBondContact O-N 2.74Å; G346-T348 VanDerWaalsContact C-N 3.34Å; G346-T348 PolarHBondContact O-N 3.34Å; G346-T348 PolarHBondContact O-OG1 3.46Å; G346-N380 WeakPolarHBondContact O-CB 3.21Å; G346-N380 PolarHBondContact O-ND2 2.95Å; G346-N380 VanDerWaalsContact O-ND2 3.12Å
347K98.1Very high98.3Very high93 Ų9345.7 Ų45.740%0.40424%0.244SC..G310 helixtrans5148.1174.7-65-179.3178175.90113.6W342 L343 R344 D345 G377 W378 N380 S381W342-K347 HydrophobicContact CZ2-CG 4.23Å; L343-K347 CarbonylContact O-C 3.54Å; L343-K347 WeakPolarHBondContact O-CA 3.32Å; L343-K347 PolarHBondContact O-N 2.9Å; R344-K347 PolarHBondContact O-N 2.6Å; D345-K347 PolarHBondContact O-N 3.3Å; K347-G377 WeakPolarHBondContact CD-O 3.32Å; K347-G377 WeakPolarHBondContact CE-O 3.27Å; K347-G377 PolarHBondContact NZ-O 3.42Å; K347-W378 WeakPolarHBondContact CB-O 3.09Å; K347-N380 HydrophobicContact CB-CB 3.9Å; K347-N380 PolarHBondContact O-N 3.27Å; K347-S381 PolarHBondContact O-N 3.46Å
348T98.7Very high98.3Very high22 Ų2241.3 Ų41.314%0.13524%0.237CC..EExtended strand (participates in β ladder)trans-103122.4-172.4-61.20000111W342 L343 G346 I350 S381W342-T348 CarbonylContact C-O 3.53Å; W342-T348 WeakPolarHBondContact CA-O 3.07Å; L343-T348 PolarHBondContact N-O 2.85Å; L343-T348 PolarHBondContact O-N 2.9Å; L343-T348 VanDerWaalsContact O-N 3.1Å; G346-T348 VanDerWaalsContact C-N 3.34Å; G346-T348 PolarHBondContact O-N 3.34Å; G346-T348 PolarHBondContact O-OG1 3.46Å; T348-I350 HydrophobicContact CG2-CD1 4.34Å; T348-I350 HydrophobicContact CG2-CG1 3.8Å; T348-S381 CarbonylContact C-O 3.47Å; T348-S381 WeakPolarHBondContact CA-O 3.48Å
349L98.8Very high98.2Very high29 Ų2940.9 Ų40.915%0.15223%0.234CC..EExtended strand (participates in β ladder)trans-92.3116.1171.4-177.658.3000109.8W342 L351 W378 L379 S381 L382 Q383W342-L349 HydrophobicContact CB-CD1 4.08Å; L349-L351 HydrophobicContact CD1-CD2 3.7Å; L349-L351 HydrophobicContact CD2-CD2 4.09Å; L349-L351 HydrophobicContact CD2-CG 4.44Å; L349-L351 HydrophobicContact CG-CD2 3.76Å; L349-L351 HydrophobicContact CG-CG 4.12Å; L349-W378 HydrophobicContact CD2-CH2 4.47Å; L349-W378 HydrophobicContact CD2-CZ3 4.39Å; L349-L379 HydrophobicContact CB-CD1 3.63Å; L349-L379 HydrophobicContact CD2-CD1 4.38Å; L349-S381 PolarHBondContact N-O 2.9Å; L349-L382 HydrophobicContact CB-CD1 4.08Å; L349-L382 HydrophobicContact CD2-CD1 3.96Å; L349-L382 HydrophobicContact CG-CD1 3.94Å; L349-L382 CarbonylContact O-C 3.3Å; L349-L382 WeakPolarHBondContact O-CA 3.26Å; L349-Q383 PolarHBondContact O-N 2.65Å
350I98.7Very high98.2Very high29 Ų2945.5 Ų45.515%0.14925%0.251CS..EExtended strand (participates in β ladder)trans-111.8102.8177.4-51.7178.3000108.1G340 N341 L343 T348 Q383 K385G340-I350 CarbonylContact C-O 3.42Å; G340-I350 WeakPolarHBondContact CA-O 3.49Å; N341-I350 PolarHBondContact N-O 3.07Å; N341-I350 PolarHBondContact O-N 3.49Å; L343-I350 HydrophobicContact CD1-CD1 3.8Å; L343-I350 HydrophobicContact CG-CD1 4.36Å; T348-I350 HydrophobicContact CG2-CD1 4.34Å; T348-I350 HydrophobicContact CG2-CG1 3.8Å; I350-Q383 CarbonylContact C-O 3.54Å; I350-Q383 WeakPolarHBondContact CA-O 3.48Å; I350-Q383 HydrophobicContact CG1-CB 4.44Å; I350-Q383 HydrophobicContact CG2-CB 4.38Å; I350-K385 HydrophobicContact CG2-CG 4.36Å
351L98.8Very high98.1Very high18 Ų1848.1 Ų48.19%0.09426%0.261CS..EExtended strand (participates in β ladder)trans-85.8119.4175.5-56.2-178000109.3T338 S339 L349 D353 A354 L382 Q383 L384 K385T338-L351 HydrophobicContact CG2-CD2 4.23Å; S339-L351 CarbonylContact O-C 3.6Å; S339-L351 WeakPolarHBondContact O-CA 3.46Å; L349-L351 HydrophobicContact CD1-CD2 3.7Å; L349-L351 HydrophobicContact CD2-CD2 4.09Å; L349-L351 HydrophobicContact CD2-CG 4.44Å; L349-L351 HydrophobicContact CG-CD2 3.76Å; L349-L351 HydrophobicContact CG-CG 4.12Å; L351-D353 VanDerWaalsContact C-N 3.33Å; L351-A354 HydrophobicContact CD1-CB 4.2Å; L351-L382 HydrophobicContact CD1-CD1 4.03Å; L351-L382 HydrophobicContact CG-CD1 4.11Å; L351-Q383 PolarHBondContact N-O 3.21Å; L351-L384 HydrophobicContact CB-CG 4.46Å; L351-L384 HydrophobicContact CD1-CD2 4.49Å; L351-L384 WeakPolarHBondContact O-CA 3.29Å; L351-K385 PolarHBondContact O-N 2.98Å
352D98.6Very high98.1Very high56 Ų5648.9 Ų48.930%0.29927%0.267SS..EExtended strand (participates in β ladder)trans-68.7-37.9176.3-70.4-42.6000110.9S339 K385 R386S339-D352 PolarHBondContact O-N 2.85Å; D352-K385 WeakPolarHBondContact OD1-CD 3.49Å; D352-K385 VanDerWaalsContact OD1-CE 3.3Å; D352-K385 WeakPolarHBondContact OD1-CE 3.2Å; D352-K385 IonicContact OD1-NZ 2.77Å; D352-K385 PolarHBondContact OD1-NZ 3.06Å; D352-R386 PolarHBondContact O-N 3.16Å
353D97.6Very high97.9Very high10 Ų1048.1 Ų48.15%0.05327%0.266CS..EExtended strand (participates in β ladder)trans-145.7131.6176.4-16862.4000108.5R337 T338 S339 L351 R386R337-D353 IonicContact CZ-OD2 2.87Å; R337-D353 VanDerWaalsContact CZ-OD2 3.25Å; R337-D353 IonicContact NH1-OD2 3.52Å; R337-D353 PolarHBondContact NH1-OD2 2.83Å; R337-D353 IonicContact NH2-OD2 3.51Å; R337-D353 PolarHBondContact NH2-OD2 3.17Å; T338-D353 WeakPolarHBondContact CA-O 3.35Å; T338-D353 WeakPolarHBondContact CB-O 3.39Å; T338-D353 PolarHBondContact OG1-O 2.76Å; S339-D353 PolarHBondContact N-O 2.78Å; L351-D353 VanDerWaalsContact C-N 3.33Å; D353-R386 CarbonylContact C-O 3.54Å; D353-R386 WeakPolarHBondContact CA-O 3.08Å; D353-R386 VanDerWaalsContact CG-NH2 3.31Å; D353-R386 IonicContact OD1-CZ 2.69Å; D353-R386 IonicContact OD1-NE 3.21Å; D353-R386 PolarHBondContact OD1-NE 3.37Å; D353-R386 IonicContact OD1-NH2 2.85Å; D353-R386 PolarHBondContact OD1-NH2 3.43Å; D353-R386 IonicContact OD2-NH2 2.82Å
354A98.6Very high97.8Very high11 Ų1146.8 Ų46.89%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-129.1125.4166.100000109.3R337 L351 L384 R386 F387 S388R337-A354 WeakPolarHBondContact O-CA 3.35Å; L351-A354 HydrophobicContact CD1-CB 4.2Å; A354-L384 HydrophobicContact CB-CD2 3.69Å; A354-R386 PolarHBondContact N-O 3.15Å; A354-F387 HydrophobicContact CB-CD2 4.32Å; A354-F387 CarbonylContact O-C 3.46Å; A354-F387 VanDerWaalsContact O-CA 3.31Å; A354-F387 WeakPolarHBondContact O-CA 3.4Å; A354-S388 PolarHBondContact O-N 2.98Å
355A98.7Very high97.6Very high8 Ų852.4 Ų52.47%0.06629%0.288CS..EExtended strand (participates in β ladder)trans-127.8134.418000000111.7V336 R337 S388V336-A355 WeakPolarHBondContact CA-O 3.31Å; R337-A355 HydrophobicContact CG-CB 3.78Å; R337-A355 PolarHBondContact N-O 3.05Å; R337-A355 PolarHBondContact O-N 2.72Å; A355-S388 CarbonylContact C-O 3.55Å; A355-S388 WeakPolarHBondContact CA-O 3.46Å; A355-S388 WeakPolarHBondContact CB-OG 3.5Å
356I98.4Very high97.4Very high45 Ų4548.4 Ų48.423%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-126.5125.2175-55.3177.9000107.5M335 V336 L359 F387 S388 A389 S390M335-I356 CarbonylContact O-C 3.51Å; M335-I356 WeakPolarHBondContact O-CA 3.45Å; V336-I356 HydrophobicContact CG2-CG1 4.38Å; V336-I356 HydrophobicContact CG2-CG2 4.46Å; I356-L359 HydrophobicContact CG2-CB 3.85Å; I356-L359 HydrophobicContact CG2-CD2 4.17Å; I356-L359 HydrophobicContact CG2-CG 4.41Å; I356-F387 HydrophobicContact CD1-CE2 4.25Å; I356-F387 HydrophobicContact CG1-CE2 4.44Å; I356-S388 PolarHBondContact N-O 3.03Å; I356-A389 CarbonylContact O-C 3.59Å; I356-A389 WeakPolarHBondContact O-CA 3.17Å; I356-S390 PolarHBondContact O-N 3.25Å
357A98.5Very high97.3Very high43 Ų4349.4 Ų49.436%0.35526%0.259SS..EExtended strand (participates in β ladder)trans-139.8133.4-177.500000112.3G334 M335 L359 S390G334-A357 CarbonylContact C-O 3.55Å; G334-A357 WeakPolarHBondContact CA-O 3.21Å; M335-A357 PolarHBondContact N-O 3.28Å; M335-A357 PolarHBondContact O-N 2.85Å; A357-L359 VanDerWaalsContact C-N 3.26Å; A357-L359 PolarHBondContact O-N 2.83Å; A357-S390 CarbonylContact C-O 3.47Å; A357-S390 VanDerWaalsContact CA-O 3.26Å; A357-S390 WeakPolarHBondContact CA-O 3.32Å
358G98.2Very high97Very high29 Ų2949.7 Ų49.730%0.29926%0.262SS..SBendtrans69.321177.700000114.3G333 G334 S390 R391 N392G333-G358 CarbonylContact C-O 3.56Å; G334-G358 VanDerWaalsContact CA-C 3.46Å; G334-G358 WeakPolarHBondContact CA-O 3.45Å; G334-G358 PolarHBondContact N-O 3.2Å; G358-S390 PolarHBondContact N-O 2.87Å; G358-R391 WeakPolarHBondContact CA-O 3.3Å; G358-N392 PolarHBondContact N-OD1 3.39Å
359L97.8Very high96.8Very high12 Ų1254.4 Ų54.46%0.06328%0.282CS..  trans-64.4134.3177.2-174.977.3000110W331 E332 I356 A357 N392 L393W331-L359 HydrophobicContact CD2-CD1 4.27Å; W331-L359 HydrophobicContact CE3-CD1 3.51Å; W331-L359 HydrophobicContact CH2-CD1 4.43Å; W331-L359 HydrophobicContact CZ3-CD1 3.62Å; W331-L359 HydrophobicContact CZ3-CD2 4.28Å; E332-L359 HydrophobicContact CB-CD1 3.66Å; I356-L359 HydrophobicContact CG2-CB 3.85Å; I356-L359 HydrophobicContact CG2-CD2 4.17Å; I356-L359 HydrophobicContact CG2-CG 4.41Å; A357-L359 VanDerWaalsContact C-N 3.26Å; A357-L359 PolarHBondContact O-N 2.83Å; L359-N392 HydrophobicContact CB-CB 4.06Å; L359-N392 WeakPolarHBondContact CB-OD1 3.29Å; L359-N392 PolarHBondContact N-OD1 3.27Å; L359-N392 CarbonylContact O-C 3.33Å; L359-N392 WeakPolarHBondContact O-CA 3.43Å; L359-L393 PolarHBondContact O-N 2.82Å
360E97.8Very high96.5Very high130 Ų13056.5 Ų56.561%0.60729%0.293SS*.EExtended strand (participates in β ladder)trans-119.196.5168.1-66.6-175.8-167.300108.5E332 L393E332-E360 PolarHBondContact O-N 2.87Å; E360-L393 HydrophobicContact CG-CB 4.27Å; E360-L393 HydrophobicContact CG-CD2 4.46Å
361Y97.2Very high96.2Very high59 Ų5962 Ų6223%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-128.2122-169.1-167.7-122.8000113W331 E332 L363 L393 I394 I395W331-Y361 HydrophobicContact CH2-CD2 4.48Å; W331-Y361 HydrophobicContact CH2-CE2 4.35Å; W331-Y361 HydrophobicContact CZ2-CD2 4.34Å; W331-Y361 AromaticContact CZ2-CE2 3.97Å; W331-Y361 HydrophobicContact CZ2-CE2 3.97Å; E332-Y361 HydrophobicContact CB-CD2 4.22Å; E332-Y361 HydrophobicContact CG-CD2 3.66Å; E332-Y361 HydrophobicContact CG-CE2 4.08Å; Y361-L363 HydrophobicContact CD1-CD2 3.96Å; Y361-L363 HydrophobicContact CE1-CD2 3.82Å; Y361-L393 PolarHBondContact N-O 2.81Å; Y361-I394 WeakPolarHBondContact O-CA 3.19Å; Y361-I395 PolarHBondContact O-N 3.01Å
362T97.3Very high95.9Very high69 Ų6968.4 Ų68.442%0.42334%0.343SS..EExtended strand (participates in β ladder)trans-93.2119.4167.5-59.20000108.6I395 I397T362-I395 WeakPolarHBondContact CA-O 3.27Å; T362-I397 HydrophobicContact CG2-CD1 4.12Å; T362-I397 HydrophobicContact CG2-CG1 4.21Å; T362-I397 HydrophobicContact CG2-CG2 3.82Å
363L96.4Very high95.7Very high25 Ų2571 Ų7113%0.13135%0.354CS..PPolyproline II helixtrans-62139.6179.1-65.7172.3000110.3Y361 W367 I394 I395 D396 W403Y361-L363 HydrophobicContact CD1-CD2 3.96Å; Y361-L363 HydrophobicContact CE1-CD2 3.82Å; L363-W367 HydrophobicContact CB-CB 4.12Å; L363-W367 HydrophobicContact CB-CG 3.91Å; L363-W367 HydrophobicContact CD1-CD2 4.02Å; L363-W367 HydrophobicContact CD1-CG 4.06Å; L363-W367 HydrophobicContact CD1-CZ2 4.47Å; L363-W367 HydrophobicContact CD2-CB 4.46Å; L363-W367 HydrophobicContact CD2-CG 4.49Å; L363-W367 HydrophobicContact CG-CG 4.39Å; L363-I394 HydrophobicContact CD1-CG2 4.28Å; L363-I394 HydrophobicContact CG-CG2 4.24Å; L363-I395 PolarHBondContact N-O 3.42Å; L363-D396 HydrophobicContact CD1-CB 4.16Å; L363-W403 HydrophobicContact CD1-CH2 3.59Å; L363-W403 HydrophobicContact CD1-CZ2 3.46Å; L363-W403 VanDerWaalsContact CD1-CZ2 3.46Å
364P94.3Very high95.6Very high45 Ų4575.6 Ų75.629%0.29238%0.382SS..PPolyproline II helixtrans-63.7149.1172.928-34.3000109.8N366 W367 L370P364-N366 PolarHBondContact O-N 2.96Å; P364-W367 HydrophobicContact CG-CB 3.95Å; P364-W367 VanDerWaalsContact O-CB 3.31Å; P364-W367 WeakPolarHBondContact O-CB 3.2Å; P364-W367 VanDerWaalsContact O-CD1 3.29Å; P364-W367 PolarHBondContact O-N 3.02Å; P364-L370 HydrophobicContact CG-CD1 3.99Å
365K93.5Very high95.6Very high180 Ų18075.4 Ų75.478%0.78338%0.38SS*.THydrogen-bonded Turntrans-53.2-28.8-177.5-174.7176.7179.2179.10113.8
366N93.4Very high95.4Very high66 Ų6678.7 Ų78.735%0.35340%0.401SS..THydrogen-bonded Turntrans-100.918.3179.768.3-38000113.7P364 Q368 Q369 L370P364-N366 PolarHBondContact O-N 2.96Å; N366-Q368 PolarHBondContact O-N 2.87Å; N366-Q368 VanDerWaalsContact O-N 3.12Å; N366-Q369 HydrophobicContact CB-CB 4.43Å; N366-Q369 WeakPolarHBondContact O-CA 3.36Å; N366-Q369 WeakPolarHBondContact O-CB 3.41Å; N366-Q369 PolarHBondContact O-N 2.89Å; N366-L370 PolarHBondContact O-N 2.9Å
367W94.2Very high95.3Very high58 Ų5879 Ų7922%0.2241%0.414CS..Hα-helixtrans-54.2-36.3-175.274.1-95.8000113.2L363 P364 Q369 L370 W371 D396 W403L363-W367 HydrophobicContact CB-CB 4.12Å; L363-W367 HydrophobicContact CB-CG 3.91Å; L363-W367 HydrophobicContact CD1-CD2 4.02Å; L363-W367 HydrophobicContact CD1-CG 4.06Å; L363-W367 HydrophobicContact CD1-CZ2 4.47Å; L363-W367 HydrophobicContact CD2-CB 4.46Å; L363-W367 HydrophobicContact CD2-CG 4.49Å; L363-W367 HydrophobicContact CG-CG 4.39Å; P364-W367 HydrophobicContact CG-CB 3.95Å; P364-W367 VanDerWaalsContact O-CB 3.31Å; P364-W367 WeakPolarHBondContact O-CB 3.2Å; P364-W367 VanDerWaalsContact O-CD1 3.29Å; P364-W367 PolarHBondContact O-N 3.02Å; W367-Q369 PolarHBondContact O-N 2.84Å; W367-L370 PolarHBondContact O-N 3.05Å; W367-W371 WeakPolarHBondContact O-CB 3.39Å; W367-W371 PolarHBondContact O-N 2.81Å; W367-D396 PolarHBondContact NE1-OD2 2.94Å; W367-W403 HydrophobicContact CZ2-CZ2 4.36Å
368Q92.2Very high95.2Very high100 Ų10083.1 Ų83.147%0.46742%0.421SS..Hα-helixtrans-63.9-40.2177.1-63.9177.5-10.500111.9N366 W371 M372N366-Q368 PolarHBondContact O-N 2.87Å; N366-Q368 VanDerWaalsContact O-N 3.12Å; Q368-W371 PolarHBondContact O-N 2.95Å; Q368-M372 WeakPolarHBondContact O-CE 3.21Å; Q368-M372 WeakPolarHBondContact O-CG 3.4Å; Q368-M372 PolarHBondContact O-N 2.84Å
369Q93.6Very high95.1Very high121 Ų12182.3 Ų82.357%0.56541%0.409SS*.Hα-helixtrans-65.7-45.8176.1-65.6176.9-15.100110.4N366 W367 W371 M372 E373N366-Q369 HydrophobicContact CB-CB 4.43Å; N366-Q369 WeakPolarHBondContact O-CA 3.36Å; N366-Q369 WeakPolarHBondContact O-CB 3.41Å; N366-Q369 PolarHBondContact O-N 2.89Å; W367-Q369 PolarHBondContact O-N 2.84Å; Q369-W371 PolarHBondContact O-N 2.88Å; Q369-M372 HydrophobicContact CG-CE 4.4Å; Q369-M372 PolarHBondContact O-N 2.91Å; Q369-E373 PolarHBondContact O-N 2.95Å; Q369-E373 VanDerWaalsContact O-N 3.14Å
370L93Very high95.2Very high72 Ų7283.5 Ų83.538%0.37742%0.416SS..Hα-helixtrans-59.1-35.4175.8-63.5174.1000112.1P364 N366 W367 M372 E373P364-L370 HydrophobicContact CG-CD1 3.99Å; N366-L370 PolarHBondContact O-N 2.9Å; W367-L370 PolarHBondContact O-N 3.05Å; L370-M372 VanDerWaalsContact C-N 3.3Å; L370-M372 PolarHBondContact O-N 2.82Å; L370-E373 PolarHBondContact O-N 2.97Å
371W92.1Very high95.2Very high146 Ų14677.9 Ų77.955%0.55339%0.391SS*.Hα-helixtrans-69.5-26175.6-118.856.5000113.7W367 Q368 Q369W367-W371 WeakPolarHBondContact O-CB 3.39Å; W367-W371 PolarHBondContact O-N 2.81Å; Q368-W371 PolarHBondContact O-N 2.95Å; Q369-W371 PolarHBondContact O-N 2.88Å
372M92.1Very high95.3Very high151 Ų15175.9 Ų75.974%0.74438%0.384SS*.Hα-helixtrans-86.9-15.3176.7-68.9-175.4-69.900113.1Q368 Q369 L370Q368-M372 WeakPolarHBondContact O-CE 3.21Å; Q368-M372 WeakPolarHBondContact O-CG 3.4Å; Q368-M372 PolarHBondContact O-N 2.84Å; Q369-M372 HydrophobicContact CG-CE 4.4Å; Q369-M372 PolarHBondContact O-N 2.91Å; L370-M372 VanDerWaalsContact C-N 3.3Å; L370-M372 PolarHBondContact O-N 2.82Å
373E94.8Very high95.4Very high112 Ų11276 Ų7652%0.52338%0.38SS..SBendtrans-66.5147.6176-73.2176.3-170.200111.6Q369 L370Q369-E373 PolarHBondContact O-N 2.95Å; Q369-E373 VanDerWaalsContact O-N 3.14Å; L370-E373 PolarHBondContact O-N 2.97Å
374T96.3Very high95.5Very high105 Ų10575.3 Ų75.364%0.64438%0.376SS*.PPolyproline II helixtrans-69.1137.3174.151.80000110.3H421T374-H421 CarbonylContact C-O 3.55Å; T374-H421 WeakPolarHBondContact CA-O 3.26Å
375T97.3Very high95.7Very high8 Ų878.2 Ų78.25%0.04938%0.384CS..PPolyproline II helixtrans-61.6155.5176.155.70000112L379 V418 H421 W423T375-L379 WeakPolarHBondContact CB-O 3.12Å; T375-L379 HydrophobicContact CG2-CD2 4.2Å; T375-L379 PolarHBondContact OG1-O 3.4Å; T375-V418 HydrophobicContact CG2-CG1 3.78Å; T375-V418 HydrophobicContact CG2-CG2 4.04Å; T375-H421 PolarHBondContact N-O 2.87Å; T375-H421 PolarHBondContact O-ND1 2.72Å; T375-H421 WeakPolarHBondContact OG1-CA 3.26Å; T375-H421 WeakPolarHBondContact OG1-CB 3.49Å; T375-H421 PolarHBondContact OG1-ND1 3.31Å; T375-H421 PolarHBondContact OG1-O 2.81Å; T375-W423 HydrophobicContact CG2-CZ2 4.13Å
376P95.4Very high95.9Very high77 Ų7775.3 Ų75.350%0.537%0.368SS..PPolyproline II helixtrans-55.2154.3178-26.634.9000113W378 L379P376-W378 PolarHBondContact O-N 3.26Å; P376-L379 PolarHBondContact O-N 3.42Å
377G95.6Very high96.1Very high50 Ų5074.2 Ų74.252%0.51536%0.361SS..THydrogen-bonded Turntrans-60.6-11.6-173.900000116.1K347K347-G377 WeakPolarHBondContact CD-O 3.32Å; K347-G377 WeakPolarHBondContact CE-O 3.27Å; K347-G377 PolarHBondContact NZ-O 3.42Å
378W95.9Very high96.4Very high131 Ų13173.3 Ų73.350%0.49636%0.363SS..THydrogen-bonded Turntrans-88.1-12.4174.568.6-97.9000113.7W342 K347 L349 P376W342-W378 AromaticContact NE1-CE3 3.85Å; W342-W378 PolarHBondContact NE1-O 2.69Å; K347-W378 WeakPolarHBondContact CB-O 3.09Å; L349-W378 HydrophobicContact CD2-CH2 4.47Å; L349-W378 HydrophobicContact CD2-CZ3 4.39Å; P376-W378 PolarHBondContact O-N 3.26Å
379L98.1Very high96.7Very high11 Ų1169 Ų696%0.05835%0.345CS..  trans-123.399.3-175.7-177.766.8000110L349 T375 P376 S381 L382 H421L349-L379 HydrophobicContact CB-CD1 3.63Å; L349-L379 HydrophobicContact CD2-CD1 4.38Å; T375-L379 WeakPolarHBondContact CB-O 3.12Å; T375-L379 HydrophobicContact CG2-CD2 4.2Å; T375-L379 PolarHBondContact OG1-O 3.4Å; P376-L379 PolarHBondContact O-N 3.42Å; L379-S381 WeakPolarHBondContact CD1-O 3.4Å; L379-L382 HydrophobicContact CD1-CB 4.44Å; L379-H421 PolarHBondContact O-CE1 2.98Å; L379-H421 PolarHBondContact O-ND1 2.74Å
380N98.5Very high96.9Very high38 Ų3864.9 Ų64.920%0.20333%0.329CS..SBendtrans-93.1-32175.417456.7000112.2G346 K347 V418 D420 H421G346-N380 WeakPolarHBondContact O-CB 3.21Å; G346-N380 PolarHBondContact O-ND2 2.95Å; G346-N380 VanDerWaalsContact O-ND2 3.12Å; K347-N380 HydrophobicContact CB-CB 3.9Å; K347-N380 PolarHBondContact O-N 3.27Å; N380-V418 WeakPolarHBondContact O-CG1 3.47Å; N380-D420 PolarHBondContact O-N 2.85Å; N380-D420 WeakPolarHBondContact OD1-CA 3.23Å; N380-H421 PolarHBondContact O-N 2.84Å; N380-H421 VanDerWaalsContact O-N 3.09Å; N380-H421 PolarHBondContact OD1-CD2 2.94Å; N380-H421 VanDerWaalsContact OD1-CD2 3.28Å; N380-H421 PolarHBondContact OD1-NE2 2.87Å
381S98.6Very high97.1Very high11 Ų1169.8 Ų69.88%0.07734%0.343CS..EExtended strand (participates in β ladder)trans-144.8144-177.2171.90000111.1K347 T348 L349 L379 V418K347-S381 PolarHBondContact O-N 3.46Å; T348-S381 CarbonylContact C-O 3.47Å; T348-S381 WeakPolarHBondContact CA-O 3.48Å; L349-S381 PolarHBondContact N-O 2.9Å; L379-S381 WeakPolarHBondContact CD1-O 3.4Å; S381-V418 VanDerWaalsContact CA-O 3.27Å; S381-V418 WeakPolarHBondContact CA-O 3.47Å; S381-V418 PolarHBondContact OG-O 3.28Å
382L98.7Very high97.4Very high18 Ų1863 Ų639%0.09432%0.318CS..EExtended strand (participates in β ladder)trans-131.5121.1178.5172.959.8000109.2L349 L351 L379 L384 T416 L417 V418 W423L349-L382 HydrophobicContact CB-CD1 4.08Å; L349-L382 HydrophobicContact CD2-CD1 3.96Å; L349-L382 HydrophobicContact CG-CD1 3.94Å; L349-L382 CarbonylContact O-C 3.3Å; L349-L382 WeakPolarHBondContact O-CA 3.26Å; L351-L382 HydrophobicContact CD1-CD1 4.03Å; L351-L382 HydrophobicContact CG-CD1 4.11Å; L379-L382 HydrophobicContact CD1-CB 4.44Å; L382-L384 HydrophobicContact CD1-CD1 4.37Å; L382-L384 HydrophobicContact CD2-CD1 4.33Å; L382-L384 HydrophobicContact CG-CD1 4Å; L382-T416 CarbonylContact O-C 3.6Å; L382-T416 WeakPolarHBondContact O-CA 3.26Å; L382-L417 HydrophobicContact CD2-CB 4.27Å; L382-L417 HydrophobicContact CG-CB 4.45Å; L382-L417 PolarHBondContact O-N 3.24Å; L382-V418 HydrophobicContact CB-CB 3.79Å; L382-V418 HydrophobicContact CB-CG2 3.76Å; L382-V418 HydrophobicContact CD2-CG2 4.39Å; L382-V418 PolarHBondContact N-O 3.43Å; L382-V418 VanDerWaalsContact N-O 3.16Å; L382-V418 PolarHBondContact O-N 3.09Å; L382-W423 HydrophobicContact CD2-CH2 4Å; L382-W423 HydrophobicContact CD2-CZ3 3.92Å
383Q98.6Very high97.7Very high72 Ų7257.9 Ų57.934%0.33629%0.293SS..EExtended strand (participates in β ladder)trans-121.7139.8176.6-62178.28.500110L349 I350 L351 L415 T416L349-Q383 PolarHBondContact O-N 2.65Å; I350-Q383 CarbonylContact C-O 3.54Å; I350-Q383 WeakPolarHBondContact CA-O 3.48Å; I350-Q383 HydrophobicContact CG1-CB 4.44Å; I350-Q383 HydrophobicContact CG2-CB 4.38Å; L351-Q383 PolarHBondContact N-O 3.21Å; Q383-L415 CarbonylContact C-O 3.49Å; Q383-L415 VanDerWaalsContact CA-O 3.26Å; Q383-L415 WeakPolarHBondContact CA-O 3.41Å; Q383-T416 HydrophobicContact CG-CG2 4.26Å
384L98.5Very high97.9Very high10 Ų1054.3 Ų54.35%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-122.1111.4173.7-59.192.2000108.2L351 A354 L382 R386 F387 N414 L415 L417L351-L384 HydrophobicContact CB-CG 4.46Å; L351-L384 HydrophobicContact CD1-CD2 4.49Å; L351-L384 WeakPolarHBondContact O-CA 3.29Å; A354-L384 HydrophobicContact CB-CD2 3.69Å; L382-L384 HydrophobicContact CD1-CD1 4.37Å; L382-L384 HydrophobicContact CD2-CD1 4.33Å; L382-L384 HydrophobicContact CG-CD1 4Å; L384-R386 VanDerWaalsContact C-N 3.35Å; L384-F387 HydrophobicContact CD2-CB 4.15Å; L384-F387 HydrophobicContact CD2-CD2 4.14Å; L384-F387 HydrophobicContact CD2-CG 4.48Å; L384-N414 CarbonylContact O-C 3.5Å; L384-N414 VanDerWaalsContact O-CA 3.29Å; L384-N414 WeakPolarHBondContact O-CA 3.46Å; L384-N414 PolarHBondContact O-N 3.14Å; L384-L415 HydrophobicContact CB-CB 4.35Å; L384-L415 HydrophobicContact CD1-CB 4.4Å; L384-L415 PolarHBondContact N-O 2.76Å; L384-L415 PolarHBondContact O-N 2.96Å; L384-L417 HydrophobicContact CD1-CB 4.24Å; L384-L417 HydrophobicContact CD1-CD1 3.38Å; L384-L417 HydrophobicContact CD1-CG 3.58Å
385K98.7Very high98Very high106 Ų10651.2 Ų51.246%0.46126%0.256SS..EExtended strand (participates in β ladder)trans-65.8-43.2174.4-65.5-173.5-173.9159.80110.6I350 L351 D352 A413 N414I350-K385 HydrophobicContact CG2-CG 4.36Å; L351-K385 PolarHBondContact O-N 2.98Å; D352-K385 WeakPolarHBondContact OD1-CD 3.49Å; D352-K385 VanDerWaalsContact OD1-CE 3.3Å; D352-K385 WeakPolarHBondContact OD1-CE 3.2Å; D352-K385 IonicContact OD1-NZ 2.77Å; D352-K385 PolarHBondContact OD1-NZ 3.06Å; K385-A413 WeakPolarHBondContact O-CA 3.19Å; K385-N414 PolarHBondContact O-N 2.89Å
386R98.7Very high98Very high119 Ų11951.1 Ų51.145%0.44926%0.255SS..EExtended strand (participates in β ladder)trans-136.8134.4173.5-168.817364.4176.1-0.3110.7D352 D353 A354 L384 Y411 G412D352-R386 PolarHBondContact O-N 3.16Å; D353-R386 CarbonylContact C-O 3.54Å; D353-R386 WeakPolarHBondContact CA-O 3.08Å; D353-R386 VanDerWaalsContact CG-NH2 3.31Å; D353-R386 IonicContact OD1-CZ 2.69Å; D353-R386 IonicContact OD1-NE 3.21Å; D353-R386 PolarHBondContact OD1-NE 3.37Å; D353-R386 IonicContact OD1-NH2 2.85Å; D353-R386 PolarHBondContact OD1-NH2 3.43Å; D353-R386 IonicContact OD2-NH2 2.82Å; A354-R386 PolarHBondContact N-O 3.15Å; L384-R386 VanDerWaalsContact C-N 3.35Å; R386-Y411 HydrophobicContact CG-CE2 3.97Å; R386-G412 WeakPolarHBondContact CA-O 3.18Å
387F98.5Very high98Very high43 Ų4352.4 Ų52.419%0.18926%0.257CS..EExtended strand (participates in β ladder)trans-125.1138.8173.3170.6-106.9000109.5A354 I356 L384 A389 Y411 G412 L415A354-F387 HydrophobicContact CB-CD2 4.32Å; A354-F387 CarbonylContact O-C 3.46Å; A354-F387 VanDerWaalsContact O-CA 3.31Å; A354-F387 WeakPolarHBondContact O-CA 3.4Å; I356-F387 HydrophobicContact CD1-CE2 4.25Å; I356-F387 HydrophobicContact CG1-CE2 4.44Å; L384-F387 HydrophobicContact CD2-CB 4.15Å; L384-F387 HydrophobicContact CD2-CD2 4.14Å; L384-F387 HydrophobicContact CD2-CG 4.48Å; F387-A389 HydrophobicContact CE1-CB 3.97Å; F387-A389 HydrophobicContact CZ-CB 3.76Å; F387-Y411 CarbonylContact O-C 3.46Å; F387-Y411 WeakPolarHBondContact O-CA 3.36Å; F387-G412 PolarHBondContact N-O 2.77Å; F387-G412 PolarHBondContact O-N 2.9Å; F387-L415 HydrophobicContact CB-CD1 4.36Å
388S98.7Very high98Very high38 Ų3852.3 Ų52.327%0.26624%0.244SC..EExtended strand (participates in β ladder)trans-136.8127170.463.40000111.2A354 A355 I356 G410A354-S388 PolarHBondContact O-N 2.98Å; A355-S388 CarbonylContact C-O 3.55Å; A355-S388 WeakPolarHBondContact CA-O 3.46Å; A355-S388 WeakPolarHBondContact CB-OG 3.5Å; I356-S388 PolarHBondContact N-O 3.03Å; S388-G410 CarbonylContact C-O 3.4Å; S388-G410 VanDerWaalsContact CA-O 3.29Å; S388-G410 WeakPolarHBondContact CA-O 3.48Å
389A98.4Very high97.9Very high11 Ų1150.3 Ų50.39%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-108.5139.3167.500000107.9I356 F387 N392 D409 G410I356-A389 CarbonylContact O-C 3.59Å; I356-A389 WeakPolarHBondContact O-CA 3.17Å; F387-A389 HydrophobicContact CE1-CB 3.97Å; F387-A389 HydrophobicContact CZ-CB 3.76Å; A389-N392 WeakPolarHBondContact CB-ND2 3.3Å; A389-D409 CarbonylContact O-C 3.57Å; A389-D409 VanDerWaalsContact O-CA 3.31Å; A389-D409 WeakPolarHBondContact O-CA 3.31Å; A389-G410 PolarHBondContact N-O 3.48Å; A389-G410 PolarHBondContact O-N 3.47Å
390S98.4Very high97.7Very high34 Ų3456.3 Ų56.324%0.23828%0.281CS..EExtended strand (participates in β ladder)trans-140.1135.3169.1-169.40000114.4I356 A357 G358 N392 L408 D409I356-S390 PolarHBondContact O-N 3.25Å; A357-S390 CarbonylContact C-O 3.47Å; A357-S390 VanDerWaalsContact CA-O 3.26Å; A357-S390 WeakPolarHBondContact CA-O 3.32Å; G358-S390 PolarHBondContact N-O 2.87Å; S390-N392 VanDerWaalsContact C-N 3.3Å; S390-N392 PolarHBondContact N-ND2 2.86Å; S390-N392 VanDerWaalsContact N-ND2 3.16Å; S390-N392 PolarHBondContact O-N 2.87Å; S390-N392 PolarHBondContact O-ND2 2.79Å; S390-N392 PolarHBondContact O-OD1 2.81Å; S390-L408 CarbonylContact C-O 3.47Å; S390-D409 WeakPolarHBondContact CA-OD1 3.1Å; S390-D409 WeakPolarHBondContact CB-OD1 3.14Å; S390-D409 PolarHBondContact OG-OD1 2.86Å
391R98.1Very high97.6Very high174 Ų17458.3 Ų58.366%0.65729%0.288SS*.EExtended strand (participates in β ladder)trans50.744.1174.5-60-173.4-94.9-85.5-0.2114.1G358 T407 L408 D409G358-R391 WeakPolarHBondContact CA-O 3.3Å; R391-T407 HydrophobicContact CB-CG2 4.13Å; R391-T407 HydrophobicContact CG-CG2 3.82Å; R391-L408 PolarHBondContact N-O 2.83Å; R391-D409 PolarHBondContact N-OD1 2.91Å
392N98.5Very high97.5Very high5 Ų559.5 Ų59.53%0.02730%0.295CS..EExtended strand (participates in β ladder)trans-90.5151.6179-53.5-71.6000111.4G358 L359 A389 S390 T407 L408G358-N392 PolarHBondContact N-OD1 3.39Å; L359-N392 HydrophobicContact CB-CB 4.06Å; L359-N392 WeakPolarHBondContact CB-OD1 3.29Å; L359-N392 PolarHBondContact N-OD1 3.27Å; L359-N392 CarbonylContact O-C 3.33Å; L359-N392 WeakPolarHBondContact O-CA 3.43Å; A389-N392 WeakPolarHBondContact CB-ND2 3.3Å; S390-N392 VanDerWaalsContact C-N 3.3Å; S390-N392 PolarHBondContact N-ND2 2.86Å; S390-N392 VanDerWaalsContact N-ND2 3.16Å; S390-N392 PolarHBondContact O-N 2.87Å; S390-N392 PolarHBondContact O-ND2 2.79Å; S390-N392 PolarHBondContact O-OD1 2.81Å; N392-T407 CarbonylContact O-C 3.51Å; N392-T407 WeakPolarHBondContact O-CA 3.27Å; N392-T407 PolarHBondContact O-N 3.3Å; N392-L408 HydrophobicContact CB-CB 4.3Å; N392-L408 PolarHBondContact N-O 2.93Å; N392-L408 PolarHBondContact ND2-O 3.01Å; N392-L408 PolarHBondContact O-N 2.98Å
393L98.6Very high97.5Very high43 Ų4361 Ų6123%0.22530%0.299CS..EExtended strand (participates in β ladder)trans-112.1118.1167.2173.760.8000107.8L359 E360 Y361 I395 L405L359-L393 PolarHBondContact O-N 2.82Å; E360-L393 HydrophobicContact CG-CB 4.27Å; E360-L393 HydrophobicContact CG-CD2 4.46Å; Y361-L393 PolarHBondContact N-O 2.81Å; L393-I395 HydrophobicContact CD1-CD1 4.23Å; L393-I395 HydrophobicContact CD1-CG1 3.95Å; L393-I395 HydrophobicContact CD2-CD1 4.06Å; L393-I395 HydrophobicContact CG-CD1 4.01Å; L393-I395 HydrophobicContact CG-CG1 4.03Å; L393-L405 WeakPolarHBondContact CA-O 3.35Å
394I98.2Very high97.5Very high37 Ų3761 Ų6119%0.1930%0.299CS..EExtended strand (participates in β ladder)trans-121.4129.3176.7-53-176.3000108.2Y361 L363 W403 Q404 L405 L408Y361-I394 WeakPolarHBondContact O-CA 3.19Å; L363-I394 HydrophobicContact CD1-CG2 4.28Å; L363-I394 HydrophobicContact CG-CG2 4.24Å; I394-W403 HydrophobicContact CB-CZ3 4.19Å; I394-W403 HydrophobicContact CG2-CH2 3.67Å; I394-W403 HydrophobicContact CG2-CZ3 3.74Å; I394-Q404 CarbonylContact O-C 3.5Å; I394-Q404 VanDerWaalsContact O-CA 3.27Å; I394-Q404 WeakPolarHBondContact O-CA 3.26Å; I394-L405 PolarHBondContact N-O 3.35Å; I394-L405 VanDerWaalsContact N-O 3.07Å; I394-L405 PolarHBondContact O-N 2.81Å; I394-L408 HydrophobicContact CD1-CD2 3.51Å; I394-L408 HydrophobicContact CG1-CD2 4.19Å
395I98.4Very high97.5Very high40 Ų4062 Ų6221%0.20530%0.304CS..EExtended strand (participates in β ladder)trans-128.6131.1-174.7-53.4166.2000109.3Y361 T362 L363 L393 I397 Q404Y361-I395 PolarHBondContact O-N 3.01Å; T362-I395 WeakPolarHBondContact CA-O 3.27Å; L363-I395 PolarHBondContact N-O 3.42Å; L393-I395 HydrophobicContact CD1-CD1 4.23Å; L393-I395 HydrophobicContact CD1-CG1 3.95Å; L393-I395 HydrophobicContact CD2-CD1 4.06Å; L393-I395 HydrophobicContact CG-CD1 4.01Å; L393-I395 HydrophobicContact CG-CG1 4.03Å; I395-I397 HydrophobicContact CG2-CG2 3.86Å; I395-Q404 HydrophobicContact CG1-CB 4.16Å
396D98.1Very high97.5Very high6 Ų659.3 Ų59.33%0.03230%0.297CS..EExtended strand (participates in β ladder)trans-109.4128.3163.3-168.5-17.2000109.2L363 W367 D398 W403L363-D396 HydrophobicContact CD1-CB 4.16Å; W367-D396 PolarHBondContact NE1-OD2 2.94Å; D396-D398 WeakPolarHBondContact OD1-CB 3.42Å; D396-D398 PolarHBondContact OD1-N 3.16Å; D396-W403 HydrophobicContact CB-CD2 3.7Å; D396-W403 HydrophobicContact CB-CE3 4.45Å; D396-W403 HydrophobicContact CB-CG 3.89Å; D396-W403 HydrophobicContact CB-CH2 4.45Å; D396-W403 HydrophobicContact CB-CZ2 3.7Å; D396-W403 PolarHBondContact N-O 3.26Å; D396-W403 PolarHBondContact O-N 3.03Å; D396-W403 VanDerWaalsContact O-N 3.11Å; D396-W403 PolarHBondContact OD2-NE1 3.49Å
397I95Very high97.5Very high104 Ų10456.1 Ų56.153%0.53329%0.291SS..  trans-106.215.3-176.159.6168.2000112.4T362 I395 P399T362-I397 HydrophobicContact CG2-CD1 4.12Å; T362-I397 HydrophobicContact CG2-CG1 4.21Å; T362-I397 HydrophobicContact CG2-CG2 3.82Å; I395-I397 HydrophobicContact CG2-CG2 3.86Å; I397-P399 WeakPolarHBondContact O-CD 3.33Å; I397-P399 VanDerWaalsContact O-N 3.13Å
398D95.2Very high97.5Very high47 Ų4754.9 Ų54.925%0.25129%0.286SS..  trans-53.3118.4170.4-170.7-25.4000109.7D396 D400 F401 P402D396-D398 WeakPolarHBondContact OD1-CB 3.42Å; D396-D398 PolarHBondContact OD1-N 3.16Å; D398-D400 PolarHBondContact O-N 2.77Å; D398-D400 WeakPolarHBondContact OD1-CB 3.25Å; D398-D400 PolarHBondContact OD1-N 3.35Å; D398-F401 CarbonylContact O-C 3.49Å; D398-F401 PolarHBondContact O-N 2.92Å; D398-P402 VanDerWaalsContact O-CA 3.3Å; D398-P402 WeakPolarHBondContact O-CA 3.23Å; D398-P402 WeakPolarHBondContact O-CB 3.31Å; D398-P402 WeakPolarHBondContact O-CD 3.35Å
399P93.7Very high97.5Very high89 Ų8955.7 Ų55.758%0.57829%0.287SS*.SBendtrans-63.8-23.7-178.526.5-35.9000113.7I397I397-P399 WeakPolarHBondContact O-CD 3.33Å; I397-P399 VanDerWaalsContact O-N 3.13Å
400D94.3Very high97.5Very high138 Ų13855.7 Ų55.774%0.73829%0.288SS*.SBendtrans-78.2-32.8-178.2-67.7-23.2000111.6D398D398-D400 PolarHBondContact O-N 2.77Å; D398-D400 WeakPolarHBondContact OD1-CB 3.25Å; D398-D400 PolarHBondContact OD1-N 3.35Å
401F96Very high97.5Very high80 Ų8059.7 Ų59.735%0.35130%0.299SS..SBendtrans-152.875.6176.6-162.7-87.5000111.5D398 F439 N440 W503D398-F401 CarbonylContact O-C 3.49Å; D398-F401 PolarHBondContact O-N 2.92Å; F401-F439 HydrophobicContact CE1-CB 4.47Å; F401-F439 HydrophobicContact CZ-CB 4.4Å; F401-N440 HydrophobicContact CD1-CB 4.49Å; F401-N440 HydrophobicContact CD2-CB 3.58Å; F401-N440 HydrophobicContact CE1-CB 4.42Å; F401-N440 HydrophobicContact CE2-CB 3.51Å; F401-N440 HydrophobicContact CG-CB 4.09Å; F401-N440 HydrophobicContact CZ-CB 3.95Å; F401-W503 HydrophobicContact CE2-CB 4.45Å; F401-W503 AromaticContact CE2-CD1 3.76Å; F401-W503 HydrophobicContact CE2-CG 4.35Å; F401-W503 AromaticContact CZ-CD1 3.81Å; F401-W503 HydrophobicContact CZ-CG 4.4Å
402P96.9Very high97.5Very high35 Ų3551.4 Ų51.423%0.22727%0.268CS..  trans-73144.6-179.229.1-34.2000110.2D398 N440D398-P402 VanDerWaalsContact O-CA 3.3Å; D398-P402 WeakPolarHBondContact O-CA 3.23Å; D398-P402 WeakPolarHBondContact O-CB 3.31Å; D398-P402 WeakPolarHBondContact O-CD 3.35Å; P402-N440 WeakPolarHBondContact O-CA 3.37Å; P402-N440 PolarHBondContact O-N 3.33Å
403W98.1Very high97.5Very high51 Ų5152 Ų5219%0.19327%0.273CS..EExtended strand (participates in β ladder)trans-146.3154.8174.360.3-91.6000112.8L363 W367 I394 D396 L405 T438 F439L363-W403 HydrophobicContact CD1-CH2 3.59Å; L363-W403 HydrophobicContact CD1-CZ2 3.46Å; L363-W403 VanDerWaalsContact CD1-CZ2 3.46Å; W367-W403 HydrophobicContact CZ2-CZ2 4.36Å; I394-W403 HydrophobicContact CB-CZ3 4.19Å; I394-W403 HydrophobicContact CG2-CH2 3.67Å; I394-W403 HydrophobicContact CG2-CZ3 3.74Å; D396-W403 HydrophobicContact CB-CD2 3.7Å; D396-W403 HydrophobicContact CB-CE3 4.45Å; D396-W403 HydrophobicContact CB-CG 3.89Å; D396-W403 HydrophobicContact CB-CH2 4.45Å; D396-W403 HydrophobicContact CB-CZ2 3.7Å; D396-W403 PolarHBondContact N-O 3.26Å; D396-W403 PolarHBondContact O-N 3.03Å; D396-W403 VanDerWaalsContact O-N 3.11Å; D396-W403 PolarHBondContact OD2-NE1 3.49Å; W403-L405 HydrophobicContact CE3-CD1 4.26Å; W403-L405 HydrophobicContact CE3-CG 4.38Å; W403-L405 HydrophobicContact CZ3-CD1 3.88Å; W403-L405 HydrophobicContact CZ3-CG 4.36Å; W403-T438 CarbonylContact C-O 3.36Å; W403-T438 WeakPolarHBondContact CA-O 3.14Å; W403-T438 WeakPolarHBondContact CB-O 3.42Å; W403-F439 HydrophobicContact CB-CD1 3.7Å; W403-F439 HydrophobicContact CB-CE1 4.24Å; W403-F439 HydrophobicContact CG-CD1 4.41Å
404Q98.4Very high97.5Very high72 Ų7255.3 Ų55.334%0.33629%0.291SS..EExtended strand (participates in β ladder)trans-142.6147.1172.762176.8-15.500110.9I394 I395 A437 T438I394-Q404 CarbonylContact O-C 3.5Å; I394-Q404 VanDerWaalsContact O-CA 3.27Å; I394-Q404 WeakPolarHBondContact O-CA 3.26Å; I395-Q404 HydrophobicContact CG1-CB 4.16Å; Q404-A437 CarbonylContact O-C 3.59Å; Q404-A437 WeakPolarHBondContact O-CA 3.49Å; Q404-A437 WeakPolarHBondContact O-CB 3.5Å; Q404-T438 PolarHBondContact N-O 3Å; Q404-T438 PolarHBondContact NE2-OG1 2.99Å; Q404-T438 PolarHBondContact O-N 3.22Å
405L98.6Very high97.5Very high30 Ų3054 Ų5416%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-122.6116.8173.4-75.2160.1000108.4L393 I394 W403 L408 A434 A437 F439 P447L393-L405 WeakPolarHBondContact CA-O 3.35Å; I394-L405 PolarHBondContact N-O 3.35Å; I394-L405 VanDerWaalsContact N-O 3.07Å; I394-L405 PolarHBondContact O-N 2.81Å; W403-L405 HydrophobicContact CE3-CD1 4.26Å; W403-L405 HydrophobicContact CE3-CG 4.38Å; W403-L405 HydrophobicContact CZ3-CD1 3.88Å; W403-L405 HydrophobicContact CZ3-CG 4.36Å; L405-L408 HydrophobicContact CB-CB 4.29Å; L405-L408 HydrophobicContact CB-CD2 4.46Å; L405-L408 HydrophobicContact CD1-CD1 4.37Å; L405-L408 HydrophobicContact CD1-CD2 4.2Å; L405-L408 HydrophobicContact CD2-CD1 4.46Å; L405-A434 HydrophobicContact CD2-CB 3.97Å; L405-A437 HydrophobicContact CD2-CB 3.75Å; L405-A437 HydrophobicContact CG-CB 4.48Å; L405-F439 HydrophobicContact CD2-CZ 4.05Å; L405-P447 HydrophobicContact CD2-CG 4.33Å
406T98.5Very high97.5Very high49 Ų4953 Ų5330%0.30128%0.28SS..EExtended strand (participates in β ladder)trans-105.6129.1-176-53.40000110.7L408 A434 A435 A436T406-L408 VanDerWaalsContact C-N 3.34Å; T406-A434 WeakPolarHBondContact O-CB 3.43Å; T406-A435 PolarHBondContact O-N 3.28Å; T406-A436 PolarHBondContact N-O 2.82Å; T406-A436 PolarHBondContact O-N 2.92Å
407T98.3Very high97.5Very high53 Ų5354.7 Ų54.733%0.32529%0.289SS..EExtended strand (participates in β ladder)trans57.748.6-175.2-46.60000110.9R391 N392 D409 A434 A435R391-T407 HydrophobicContact CB-CG2 4.13Å; R391-T407 HydrophobicContact CG-CG2 3.82Å; N392-T407 CarbonylContact O-C 3.51Å; N392-T407 WeakPolarHBondContact O-CA 3.27Å; N392-T407 PolarHBondContact O-N 3.3Å; T407-D409 PolarHBondContact O-N 3.31Å; T407-A434 WeakPolarHBondContact O-CA 3.36Å; T407-A435 HydrophobicContact CG2-CB 4.34Å
408L98.6Very high97.6Very high17 Ų1749.7 Ų49.79%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-70.6113.4175.8-178.968.7000110.2S390 R391 N392 I394 L405 T406 L432 N433 A434S390-L408 CarbonylContact C-O 3.47Å; R391-L408 PolarHBondContact N-O 2.83Å; N392-L408 HydrophobicContact CB-CB 4.3Å; N392-L408 PolarHBondContact N-O 2.93Å; N392-L408 PolarHBondContact ND2-O 3.01Å; N392-L408 PolarHBondContact O-N 2.98Å; I394-L408 HydrophobicContact CD1-CD2 3.51Å; I394-L408 HydrophobicContact CG1-CD2 4.19Å; L405-L408 HydrophobicContact CB-CB 4.29Å; L405-L408 HydrophobicContact CB-CD2 4.46Å; L405-L408 HydrophobicContact CD1-CD1 4.37Å; L405-L408 HydrophobicContact CD1-CD2 4.2Å; L405-L408 HydrophobicContact CD2-CD1 4.46Å; T406-L408 VanDerWaalsContact C-N 3.34Å; L408-L432 HydrophobicContact CD1-CB 4.38Å; L408-N433 CarbonylContact C-O 3.51Å; L408-N433 WeakPolarHBondContact CA-O 3.28Å; L408-A434 HydrophobicContact CB-CB 4.46Å; L408-A434 HydrophobicContact CD1-CB 4.19Å
409D98.7Very high97.7Very high54 Ų5449.5 Ų49.529%0.28926%0.264SS..EExtended strand (participates in β ladder)trans-100.5148.7167.5-61.1-64000109.9A389 S390 R391 T407 L432 N433A389-D409 CarbonylContact O-C 3.57Å; A389-D409 VanDerWaalsContact O-CA 3.31Å; A389-D409 WeakPolarHBondContact O-CA 3.31Å; S390-D409 WeakPolarHBondContact CA-OD1 3.1Å; S390-D409 WeakPolarHBondContact CB-OD1 3.14Å; S390-D409 PolarHBondContact OG-OD1 2.86Å; R391-D409 PolarHBondContact N-OD1 2.91Å; T407-D409 PolarHBondContact O-N 3.31Å; D409-L432 CarbonylContact O-C 3.49Å; D409-L432 WeakPolarHBondContact O-CA 3.38Å; D409-N433 PolarHBondContact N-O 3.14Å; D409-N433 PolarHBondContact O-N 2.79Å; D409-N433 VanDerWaalsContact O-O 3.06Å
410G98.1Very high97.9Very high11 Ų1150.7 Ų50.711%0.11327%0.265CS..EExtended strand (participates in β ladder)trans-152145.8-178.800000111.9S388 A389 N431S388-G410 CarbonylContact C-O 3.4Å; S388-G410 VanDerWaalsContact CA-O 3.29Å; S388-G410 WeakPolarHBondContact CA-O 3.48Å; A389-G410 PolarHBondContact N-O 3.48Å; A389-G410 PolarHBondContact O-N 3.47Å; G410-N431 CarbonylContact C-O 3.58Å; G410-N431 VanDerWaalsContact CA-O 3.23Å; G410-N431 WeakPolarHBondContact CA-O 3.3Å
411Y98.5Very high98Very high119 Ų11946.6 Ų46.647%0.46724%0.242SC..EExtended strand (participates in β ladder)trans-135.6128170.8177.3-97.5000109.2R386 F387 A413 A430 N431R386-Y411 HydrophobicContact CG-CE2 3.97Å; F387-Y411 CarbonylContact O-C 3.46Å; F387-Y411 WeakPolarHBondContact O-CA 3.36Å; Y411-A413 HydrophobicContact CE1-CB 4.27Å; Y411-A430 CarbonylContact O-C 3.46Å; Y411-A430 VanDerWaalsContact O-CA 3.25Å; Y411-A430 WeakPolarHBondContact O-CA 3.34Å; Y411-N431 PolarHBondContact N-O 2.73Å; Y411-N431 PolarHBondContact O-N 3.48Å
412G98.5Very high98Very high0 Ų048.9 Ų48.90%025%0.252CS..EExtended strand (participates in β ladder)trans-127.6147.2178.100000111.8R386 F387 S429R386-G412 WeakPolarHBondContact CA-O 3.18Å; F387-G412 PolarHBondContact N-O 2.77Å; F387-G412 PolarHBondContact O-N 2.9Å; G412-S429 CarbonylContact C-O 3.55Å; G412-S429 VanDerWaalsContact CA-O 3.26Å; G412-S429 WeakPolarHBondContact CA-O 3.33Å
413A98.6Very high98Very high16 Ų1651.5 Ų51.513%0.13226%0.257CS..EExtended strand (participates in β ladder)trans-135.9132.717600000110.7K385 Y411 L415 G428 S429K385-A413 WeakPolarHBondContact O-CA 3.19Å; Y411-A413 HydrophobicContact CE1-CB 4.27Å; A413-L415 VanDerWaalsContact C-N 3.27Å; A413-L415 PolarHBondContact O-N 2.75Å; A413-G428 WeakPolarHBondContact O-CA 3.43Å; A413-S429 PolarHBondContact N-O 2.8Å; A413-S429 PolarHBondContact O-N 3.11Å
414N98.4Very high97.8Very high114 Ų11449.9 Ų49.961%0.6126%0.256SS*.EExtended strand (participates in β ladder)trans51.441.5177.6-55.5-49.1000114L384 K385 G428L384-N414 CarbonylContact O-C 3.5Å; L384-N414 VanDerWaalsContact O-CA 3.29Å; L384-N414 WeakPolarHBondContact O-CA 3.46Å; L384-N414 PolarHBondContact O-N 3.14Å; K385-N414 PolarHBondContact O-N 2.89Å; N414-G428 WeakPolarHBondContact O-CA 3.5Å; N414-G428 PolarHBondContact O-N 3.03Å
415L98.4Very high97.7Very high10 Ų1048.5 Ų48.55%0.05225%0.253CS..EExtended strand (participates in β ladder)trans-77.2128-179.3-70169000110.7Q383 L384 F387 A413 L417 V425 S427 A430Q383-L415 CarbonylContact C-O 3.49Å; Q383-L415 VanDerWaalsContact CA-O 3.26Å; Q383-L415 WeakPolarHBondContact CA-O 3.41Å; L384-L415 HydrophobicContact CB-CB 4.35Å; L384-L415 HydrophobicContact CD1-CB 4.4Å; L384-L415 PolarHBondContact N-O 2.76Å; L384-L415 PolarHBondContact O-N 2.96Å; F387-L415 HydrophobicContact CB-CD1 4.36Å; A413-L415 VanDerWaalsContact C-N 3.27Å; A413-L415 PolarHBondContact O-N 2.75Å; L415-L417 HydrophobicContact CB-CD2 4.2Å; L415-L417 HydrophobicContact CB-CG 4.31Å; L415-V425 HydrophobicContact CD2-CG1 4.25Å; L415-S427 VanDerWaalsContact CA-O 3.3Å; L415-S427 WeakPolarHBondContact CA-O 3.43Å; L415-A430 HydrophobicContact CD1-CB 4.37Å; L415-A430 HydrophobicContact CD2-CB 4.32Å
416T98.5Very high97.6Very high18 Ų1849.9 Ų49.911%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-102.9110.1164-57.90000108.5L382 Q383 W426 S427L382-T416 CarbonylContact O-C 3.6Å; L382-T416 WeakPolarHBondContact O-CA 3.26Å; Q383-T416 HydrophobicContact CG-CG2 4.26Å; T416-W426 HydrophobicContact CG2-CB 4.04Å; T416-W426 WeakPolarHBondContact O-CB 3.41Å; T416-W426 PolarHBondContact O-N 3.48Å; T416-S427 VanDerWaalsContact CB-OG 3.27Å; T416-S427 WeakPolarHBondContact CB-OG 3.3Å; T416-S427 PolarHBondContact N-O 3.04Å; T416-S427 PolarHBondContact OG1-OG 2.84Å
417L98Very high97.6Very high41 Ų4149.3 Ų49.322%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-101.1-20.7-173.4-64.1-172.5000114.3L382 L384 L415 W423 G424 V425L382-L417 HydrophobicContact CD2-CB 4.27Å; L382-L417 HydrophobicContact CG-CB 4.45Å; L382-L417 PolarHBondContact O-N 3.24Å; L384-L417 HydrophobicContact CD1-CB 4.24Å; L384-L417 HydrophobicContact CD1-CD1 3.38Å; L384-L417 HydrophobicContact CD1-CG 3.58Å; L415-L417 HydrophobicContact CB-CD2 4.2Å; L415-L417 HydrophobicContact CB-CG 4.31Å; L417-W423 HydrophobicContact CB-CE3 4.42Å; L417-W423 HydrophobicContact CB-CZ3 4.28Å; L417-W423 CarbonylContact O-C 3.55Å; L417-W423 WeakPolarHBondContact O-CA 3.34Å; L417-G424 CarbonylContact C-O 3.51Å; L417-G424 WeakPolarHBondContact CA-O 3.42Å; L417-G424 PolarHBondContact O-N 2.97Å; L417-V425 HydrophobicContact CD2-CG2 4.32Å
418V98.3Very high97.6Very high0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-131.4132.9174.4-1780000108.5T375 N380 S381 L382 K422 W423T375-V418 HydrophobicContact CG2-CG1 3.78Å; T375-V418 HydrophobicContact CG2-CG2 4.04Å; N380-V418 WeakPolarHBondContact O-CG1 3.47Å; S381-V418 VanDerWaalsContact CA-O 3.27Å; S381-V418 WeakPolarHBondContact CA-O 3.47Å; S381-V418 PolarHBondContact OG-O 3.28Å; L382-V418 HydrophobicContact CB-CB 3.79Å; L382-V418 HydrophobicContact CB-CG2 3.76Å; L382-V418 HydrophobicContact CD2-CG2 4.39Å; L382-V418 PolarHBondContact N-O 3.43Å; L382-V418 VanDerWaalsContact N-O 3.16Å; L382-V418 PolarHBondContact O-N 3.09Å; V418-K422 VanDerWaalsContact CA-O 3.31Å; V418-K422 WeakPolarHBondContact CA-O 3.43Å; V418-W423 HydrophobicContact CG2-CD2 3.68Å; V418-W423 HydrophobicContact CG2-CE3 3.44Å; V418-W423 VanDerWaalsContact CG2-CE3 3.44Å; V418-W423 HydrophobicContact CG2-CG 4.41Å; V418-W423 HydrophobicContact CG2-CH2 3.91Å; V418-W423 HydrophobicContact CG2-CZ2 4.12Å; V418-W423 HydrophobicContact CG2-CZ3 3.57Å
419T96.8Very high97.6Very high42 Ų4248.9 Ų48.926%0.25826%0.257SS..EExtended strand (participates in β ladder)trans-138.7135.4170-55.10000108H421 K422 W426T419-H421 PolarHBondContact O-N 2.8Å; T419-K422 PolarHBondContact N-O 2.83Å; T419-K422 WeakPolarHBondContact O-CB 3.45Å; T419-K422 PolarHBondContact O-N 2.98Å; T419-W426 VanDerWaalsContact OG1-CG 3.25Å
420D96.5Very high97.6Very high114 Ų11446.8 Ų46.861%0.6125%0.247SC*.THydrogen-bonded Turntrans49.645.5-179.5-59.1-28.8000113N380 K422N380-D420 PolarHBondContact O-N 2.85Å; N380-D420 WeakPolarHBondContact OD1-CA 3.23Å; D420-K422 PolarHBondContact O-N 2.81Å
421H97.7Very high97.6Very high53 Ų5350 Ų5025%0.24526%0.262CS..THydrogen-bonded Turntrans63.413-176-59.4-88000116.3T374 T375 L379 N380 T419T374-H421 CarbonylContact C-O 3.55Å; T374-H421 WeakPolarHBondContact CA-O 3.26Å; T375-H421 PolarHBondContact N-O 2.87Å; T375-H421 PolarHBondContact O-ND1 2.72Å; T375-H421 WeakPolarHBondContact OG1-CA 3.26Å; T375-H421 WeakPolarHBondContact OG1-CB 3.49Å; T375-H421 PolarHBondContact OG1-ND1 3.31Å; T375-H421 PolarHBondContact OG1-O 2.81Å; L379-H421 PolarHBondContact O-CE1 2.98Å; L379-H421 PolarHBondContact O-ND1 2.74Å; N380-H421 PolarHBondContact O-N 2.84Å; N380-H421 VanDerWaalsContact O-N 3.09Å; N380-H421 PolarHBondContact OD1-CD2 2.94Å; N380-H421 VanDerWaalsContact OD1-CD2 3.28Å; N380-H421 PolarHBondContact OD1-NE2 2.87Å; T419-H421 PolarHBondContact O-N 2.8Å
422K96Very high97.6Very high127 Ų12747 Ų4755%0.55225%0.254SS*.EExtended strand (participates in β ladder)trans-114.7129.4-177.1-64.4174.7-173.1175.80112.1V418 T419 D420 W426V418-K422 VanDerWaalsContact CA-O 3.31Å; V418-K422 WeakPolarHBondContact CA-O 3.43Å; T419-K422 PolarHBondContact N-O 2.83Å; T419-K422 WeakPolarHBondContact O-CB 3.45Å; T419-K422 PolarHBondContact O-N 2.98Å; D420-K422 PolarHBondContact O-N 2.81Å; K422-W426 HydrophobicContact CB-CZ2 4.28Å; K422-W426 PolarHBondContact O-NE1 3.16Å; K422-W426 VanDerWaalsContact O-NE1 3.14Å
423W95.9Very high97.6Very high90 Ų9050.4 Ų50.434%0.34127%0.272SS..EExtended strand (participates in β ladder)trans-64.1146.2171.5-68.7102.8000111.9T375 L382 L417 V418T375-W423 HydrophobicContact CG2-CZ2 4.13Å; L382-W423 HydrophobicContact CD2-CH2 4Å; L382-W423 HydrophobicContact CD2-CZ3 3.92Å; L417-W423 HydrophobicContact CB-CE3 4.42Å; L417-W423 HydrophobicContact CB-CZ3 4.28Å; L417-W423 CarbonylContact O-C 3.55Å; L417-W423 WeakPolarHBondContact O-CA 3.34Å; V418-W423 HydrophobicContact CG2-CD2 3.68Å; V418-W423 HydrophobicContact CG2-CE3 3.44Å; V418-W423 VanDerWaalsContact CG2-CE3 3.44Å; V418-W423 HydrophobicContact CG2-CG 4.41Å; V418-W423 HydrophobicContact CG2-CH2 3.91Å; V418-W423 HydrophobicContact CG2-CZ2 4.12Å; V418-W423 HydrophobicContact CG2-CZ3 3.57Å
424G94.4Very high97.6Very high17 Ų1750.1 Ų50.118%0.17527%0.269CS..EExtended strand (participates in β ladder)trans175.7-174.5176.500000111.8L417L417-G424 CarbonylContact C-O 3.51Å; L417-G424 WeakPolarHBondContact CA-O 3.42Å; L417-G424 PolarHBondContact O-N 2.97Å
425V95.6Very high97.6Very high44 Ų4447.2 Ų47.227%0.26726%0.261SS..EExtended strand (participates in β ladder)trans-116.980.9167.1-174.20000106.8L415 L417 L451 A453 V458 Q480L415-V425 HydrophobicContact CD2-CG1 4.25Å; L417-V425 HydrophobicContact CD2-CG2 4.32Å; V425-L451 HydrophobicContact CG1-CD1 3.97Å; V425-A453 HydrophobicContact CG1-CB 3.86Å; V425-A453 WeakPolarHBondContact O-CB 3.26Å; V425-V458 WeakPolarHBondContact O-CG2 3.4Å; V425-Q480 PolarHBondContact O-NE2 2.63Å; V425-Q480 VanDerWaalsContact O-NE2 3.11Å
426W96.9Very high97.6Very high58 Ų5848.4 Ų48.422%0.2227%0.273CS..EExtended strand (participates in β ladder)trans-77-34.3-168.7-62.6101.4000112.5T416 T419 K422 N454 Q480T416-W426 HydrophobicContact CG2-CB 4.04Å; T416-W426 WeakPolarHBondContact O-CB 3.41Å; T416-W426 PolarHBondContact O-N 3.48Å; T419-W426 VanDerWaalsContact OG1-CG 3.25Å; K422-W426 HydrophobicContact CB-CZ2 4.28Å; K422-W426 PolarHBondContact O-NE1 3.16Å; K422-W426 VanDerWaalsContact O-NE1 3.14Å; W426-N454 CarbonylContact O-C 3.51Å; W426-Q480 PolarHBondContact O-NE2 2.72Å
427S98.3Very high97.6Very high38 Ų3847.7 Ų47.727%0.26627%0.268SS..EExtended strand (participates in β ladder)trans-157.1167.3175.464.20000111.1L415 T416 A453L415-S427 VanDerWaalsContact CA-O 3.3Å; L415-S427 WeakPolarHBondContact CA-O 3.43Å; T416-S427 VanDerWaalsContact CB-OG 3.27Å; T416-S427 WeakPolarHBondContact CB-OG 3.3Å; T416-S427 PolarHBondContact N-O 3.04Å; T416-S427 PolarHBondContact OG1-OG 2.84Å; S427-A453 CarbonylContact C-O 3.59Å; S427-A453 VanDerWaalsContact CA-O 3.3Å; S427-A453 WeakPolarHBondContact CA-O 3.49Å
428G98.5Very high97.6Very high16 Ų1646.8 Ų46.817%0.16526%0.264CS..EExtended strand (participates in β ladder)trans107.3-166.9173.900000113.4A413 N414 T452 A453A413-G428 WeakPolarHBondContact O-CA 3.43Å; N414-G428 WeakPolarHBondContact O-CA 3.5Å; N414-G428 PolarHBondContact O-N 3.03Å; G428-T452 CarbonylContact O-C 3.54Å; G428-T452 WeakPolarHBondContact O-CA 3.42Å; G428-A453 PolarHBondContact N-O 3.4Å; G428-A453 PolarHBondContact O-N 2.88Å
429S98.7Very high97.6Very high45 Ų4549.3 Ų49.332%0.31528%0.276SS..EExtended strand (participates in β ladder)trans-137.2145.7177.658.90000110.8G412 A413 L451G412-S429 CarbonylContact C-O 3.55Å; G412-S429 VanDerWaalsContact CA-O 3.26Å; G412-S429 WeakPolarHBondContact CA-O 3.33Å; A413-S429 PolarHBondContact N-O 2.8Å; A413-S429 PolarHBondContact O-N 3.11Å; S429-L451 CarbonylContact C-O 3.56Å; S429-L451 VanDerWaalsContact CA-O 3.27Å; S429-L451 WeakPolarHBondContact CA-O 3.38Å
430A98.5Very high97.6Very high10 Ų1048.1 Ų48.18%0.08327%0.268CS..EExtended strand (participates in β ladder)trans-142.5142.1173.500000111.7Y411 L415 L451Y411-A430 CarbonylContact O-C 3.46Å; Y411-A430 VanDerWaalsContact O-CA 3.25Å; Y411-A430 WeakPolarHBondContact O-CA 3.34Å; L415-A430 HydrophobicContact CD1-CB 4.37Å; L415-A430 HydrophobicContact CD2-CB 4.32Å; A430-L451 HydrophobicContact CB-CD1 4.03Å; A430-L451 HydrophobicContact CB-CD2 4.37Å; A430-L451 HydrophobicContact CB-CG 3.99Å; A430-L451 PolarHBondContact N-O 2.82Å; A430-L451 PolarHBondContact O-N 3.36Å
431N98.7Very high97.5Very high77 Ų7750.7 Ų50.741%0.41227%0.269SS..EExtended strand (participates in β ladder)trans-116.3130.1169-65.8-30.2000108.2G410 Y411 L449 A450G410-N431 CarbonylContact C-O 3.58Å; G410-N431 VanDerWaalsContact CA-O 3.23Å; G410-N431 WeakPolarHBondContact CA-O 3.3Å; Y411-N431 PolarHBondContact N-O 2.73Å; Y411-N431 PolarHBondContact O-N 3.48Å; N431-L449 CarbonylContact C-O 3.59Å; N431-L449 VanDerWaalsContact CA-O 3.26Å; N431-L449 WeakPolarHBondContact CA-O 3.27Å; N431-A450 WeakPolarHBondContact OD1-CA 3.27Å; N431-A450 VanDerWaalsContact OD1-CB 3.26Å; N431-A450 WeakPolarHBondContact OD1-CB 3.42Å
432L98.4Very high97.4Very high58 Ų5849 Ų4930%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-124.2135178.2-58.5176.4000108.5L408 D409 S448 L449L408-L432 HydrophobicContact CD1-CB 4.38Å; D409-L432 CarbonylContact O-C 3.49Å; D409-L432 WeakPolarHBondContact O-CA 3.38Å; L432-S448 CarbonylContact O-C 3.52Å; L432-S448 WeakPolarHBondContact O-CA 3.4Å; L432-L449 HydrophobicContact CB-CB 4.41Å; L432-L449 HydrophobicContact CD1-CD2 4.41Å; L432-L449 PolarHBondContact N-O 3.27Å; L432-L449 PolarHBondContact O-N 2.77Å
433N98.4Very high97.5Very high71 Ų7148.3 Ų48.338%0.3826%0.264SS..EExtended strand (participates in β ladder)trans-138.4140.2177.4-64.9-77.3000108.9L408 D409 P447 S448L408-N433 CarbonylContact C-O 3.51Å; L408-N433 WeakPolarHBondContact CA-O 3.28Å; D409-N433 PolarHBondContact N-O 3.14Å; D409-N433 PolarHBondContact O-N 2.79Å; D409-N433 VanDerWaalsContact O-O 3.06Å; N433-P447 CarbonylContact C-O 3.53Å; N433-P447 VanDerWaalsContact CA-O 3.3Å; N433-P447 WeakPolarHBondContact CA-O 3.18Å; N433-S448 WeakPolarHBondContact OD1-CB 3.46Å; N433-S448 PolarHBondContact OD1-OG 3.39Å
434A98.7Very high97.6Very high9 Ų944.1 Ų44.17%0.07425%0.249CC..  trans-126160.6169.800000110.8L405 T406 T407 L408 R446 P447L405-A434 HydrophobicContact CD2-CB 3.97Å; T406-A434 WeakPolarHBondContact O-CB 3.43Å; T407-A434 WeakPolarHBondContact O-CA 3.36Å; L408-A434 HydrophobicContact CB-CB 4.46Å; L408-A434 HydrophobicContact CD1-CB 4.19Å; A434-R446 VanDerWaalsContact O-CA 3.26Å; A434-R446 WeakPolarHBondContact O-CA 3.26Å; A434-P447 HydrophobicContact CB-CG 3.66Å; A434-P447 PolarHBondContact N-O 3.39Å; A434-P447 WeakPolarHBondContact O-CD 3.33Å
435A98.6Very high97.8Very high54 Ų5449.9 Ų49.945%0.44627%0.265SS..SBendtrans-72.3-40.617300000111.1T406 T407 R446T406-A435 PolarHBondContact O-N 3.28Å; T407-A435 HydrophobicContact CG2-CB 4.34Å; A435-R446 PolarHBondContact O-N 3.12Å
436A98.7Very high98Very high35 Ų3556.1 Ų56.129%0.28928%0.284SS..EExtended strand (participates in β ladder)trans-149.2160.7177.900000110.3T406 V444T406-A436 PolarHBondContact N-O 2.82Å; T406-A436 PolarHBondContact O-N 2.92Å; A436-V444 CarbonylContact C-O 3.09Å; A436-V444 WeakPolarHBondContact CA-O 3.49Å
437A98.6Very high98Very high2 Ų254 Ų542%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-149.1156.9169.100000110.2Q404 L405 F439 V444 P447Q404-A437 CarbonylContact O-C 3.59Å; Q404-A437 WeakPolarHBondContact O-CA 3.49Å; Q404-A437 WeakPolarHBondContact O-CB 3.5Å; L405-A437 HydrophobicContact CD2-CB 3.75Å; L405-A437 HydrophobicContact CG-CB 4.48Å; A437-F439 HydrophobicContact CB-CD2 4.09Å; A437-F439 HydrophobicContact CB-CE2 3.45Å; A437-F439 VanDerWaalsContact CB-CE2 3.45Å; A437-F439 HydrophobicContact CB-CZ 3.88Å; A437-V444 HydrophobicContact CB-CG2 3.77Å; A437-V444 PolarHBondContact N-O 2.79Å; A437-V444 PolarHBondContact O-N 3Å; A437-V444 VanDerWaalsContact O-O 3.1Å; A437-P447 HydrophobicContact CB-CG 3.92Å
438T98.4Very high98Very high22 Ų2252.9 Ų52.914%0.13527%0.27CS..EExtended strand (participates in β ladder)trans-121.7127.7165.7-50.20000106.9W403 Q404 V442 D443W403-T438 CarbonylContact C-O 3.36Å; W403-T438 WeakPolarHBondContact CA-O 3.14Å; W403-T438 WeakPolarHBondContact CB-O 3.42Å; Q404-T438 PolarHBondContact N-O 3Å; Q404-T438 PolarHBondContact NE2-OG1 2.99Å; Q404-T438 PolarHBondContact O-N 3.22Å; T438-V442 WeakPolarHBondContact CA-O 3.32Å; T438-D443 WeakPolarHBondContact CB-OD1 3.5Å; T438-D443 VanDerWaalsContact CG2-OD1 3.24Å; T438-D443 WeakPolarHBondContact CG2-OD1 3.35Å; T438-D443 PolarHBondContact OG1-OD1 3.35Å
439F97.7Very high98Very high54 Ų5453.8 Ų53.824%0.23727%0.271CS..EExtended strand (participates in β ladder)trans-121.7111.4174-63.1-77.9000108.5F401 W403 L405 A437 R441 V442 V444 W503F401-F439 HydrophobicContact CE1-CB 4.47Å; F401-F439 HydrophobicContact CZ-CB 4.4Å; W403-F439 HydrophobicContact CB-CD1 3.7Å; W403-F439 HydrophobicContact CB-CE1 4.24Å; W403-F439 HydrophobicContact CG-CD1 4.41Å; L405-F439 HydrophobicContact CD2-CZ 4.05Å; A437-F439 HydrophobicContact CB-CD2 4.09Å; A437-F439 HydrophobicContact CB-CE2 3.45Å; A437-F439 VanDerWaalsContact CB-CE2 3.45Å; A437-F439 HydrophobicContact CB-CZ 3.88Å; F439-R441 PolarHBondContact O-N 2.92Å; F439-V442 PolarHBondContact N-O 2.76Å; F439-V442 WeakPolarHBondContact O-CB 3.31Å; F439-V442 PolarHBondContact O-N 3.29Å; F439-V444 HydrophobicContact CD2-CG2 3.96Å; F439-V444 HydrophobicContact CE2-CG2 3.9Å; F439-W503 HydrophobicContact CB-CZ2 4.1Å; F439-W503 PolarHBondContact O-NE1 3.09Å
440N96.9Very high98Very high17 Ų1752.3 Ų52.39%0.09126%0.261CS..THydrogen-bonded Turntrans39.164.8-172.9-165.518.4000113.3F401 P402 V442 Q502F401-N440 HydrophobicContact CD1-CB 4.49Å; F401-N440 HydrophobicContact CD2-CB 3.58Å; F401-N440 HydrophobicContact CE1-CB 4.42Å; F401-N440 HydrophobicContact CE2-CB 3.51Å; F401-N440 HydrophobicContact CG-CB 4.09Å; F401-N440 HydrophobicContact CZ-CB 3.95Å; P402-N440 WeakPolarHBondContact O-CA 3.37Å; P402-N440 PolarHBondContact O-N 3.33Å; N440-V442 PolarHBondContact O-N 3.06Å; N440-V442 VanDerWaalsContact O-N 3.12Å; N440-Q502 PolarHBondContact ND2-O 2.75Å
441R93.7Very high98Very high168 Ų16853 Ų5363%0.63426%0.263SS*.THydrogen-bonded Turntrans66.85.6177.8-50172174.781.50.5115.7F439F439-R441 PolarHBondContact O-N 2.92Å
442V96.7Very high98Very high17 Ų1752.3 Ų52.310%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-98.6111.7170.5-177.80000109.3T438 F439 N440 V444 I499 Q502 W503T438-V442 WeakPolarHBondContact CA-O 3.32Å; F439-V442 PolarHBondContact N-O 2.76Å; F439-V442 WeakPolarHBondContact O-CB 3.31Å; F439-V442 PolarHBondContact O-N 3.29Å; N440-V442 PolarHBondContact O-N 3.06Å; N440-V442 VanDerWaalsContact O-N 3.12Å; V442-V444 HydrophobicContact CG1-CG1 4.23Å; V442-I499 HydrophobicContact CG1-CD1 3.9Å; V442-I499 HydrophobicContact CG1-CG1 3.94Å; V442-Q502 HydrophobicContact CG2-CB 3.5Å; V442-Q502 HydrophobicContact CG2-CG 3.74Å; V442-W503 HydrophobicContact CB-CZ2 4.03Å; V442-W503 HydrophobicContact CG1-CZ2 3.99Å; V442-W503 HydrophobicContact CG2-CZ2 4.47Å
443D98Very high98Very high112 Ų11250.1 Ų50.160%0.59925%0.252SS*.EExtended strand (participates in β ladder)trans-79131.1174.4-67.2-30.7000111.1T438T438-D443 WeakPolarHBondContact CB-OD1 3.5Å; T438-D443 VanDerWaalsContact CG2-OD1 3.24Å; T438-D443 WeakPolarHBondContact CG2-OD1 3.35Å; T438-D443 PolarHBondContact OG1-OD1 3.35Å
444V98.3Very high97.9Very high3 Ų350 Ų502%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-131.2151.8175.1-58.50000110.8A436 A437 F439 V442 P447 A465 F466A436-V444 CarbonylContact C-O 3.09Å; A436-V444 WeakPolarHBondContact CA-O 3.49Å; A437-V444 HydrophobicContact CB-CG2 3.77Å; A437-V444 PolarHBondContact N-O 2.79Å; A437-V444 PolarHBondContact O-N 3Å; A437-V444 VanDerWaalsContact O-O 3.1Å; F439-V444 HydrophobicContact CD2-CG2 3.96Å; F439-V444 HydrophobicContact CE2-CG2 3.9Å; V442-V444 HydrophobicContact CG1-CG1 4.23Å; V444-P447 HydrophobicContact CG2-CB 4.49Å; V444-A465 HydrophobicContact CB-CB 3.85Å; V444-A465 HydrophobicContact CG1-CB 4.29Å; V444-A465 HydrophobicContact CG2-CB 4Å; V444-F466 CarbonylContact C-O 3.45Å; V444-F466 VanDerWaalsContact CA-O 3.25Å; V444-F466 WeakPolarHBondContact CA-O 3.28Å
445R98.4Very high97.7Very high138 Ų13854.7 Ų54.752%0.52128%0.284SS..EExtended strand (participates in β ladder)trans-117.3145.5-179.9-62.2-177.9-62.3127.23.6110P447 F466R445-P447 VanDerWaalsContact C-CD 3.43Å; R445-F466 HydrophobicContact CB-CB 4.35Å; R445-F466 PolarHBondContact N-O 2.96Å; R445-F466 PolarHBondContact O-N 2.9Å
446R98.3Very high97.6Very high174 Ų17455.5 Ų55.566%0.65729%0.287SS*.EExtended strand (participates in β ladder)trans49.348.4-179.7-54.5-179.6177.6179.8-1.9113.7A434 A435 S448 F466A434-R446 VanDerWaalsContact O-CA 3.26Å; A434-R446 WeakPolarHBondContact O-CA 3.26Å; A435-R446 PolarHBondContact O-N 3.12Å; R446-S448 PolarHBondContact O-N 2.88Å; R446-F466 HydrophobicContact CB-CD2 4.1Å; R446-F466 HydrophobicContact CB-CE2 4.45Å
447P98.3Very high97.5Very high13 Ų1355.6 Ų55.68%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-60132.9170.829.7-36.9000109.7L405 N433 A434 A437 V444 R445 S464 A465L405-P447 HydrophobicContact CD2-CG 4.33Å; N433-P447 CarbonylContact C-O 3.53Å; N433-P447 VanDerWaalsContact CA-O 3.3Å; N433-P447 WeakPolarHBondContact CA-O 3.18Å; A434-P447 HydrophobicContact CB-CG 3.66Å; A434-P447 PolarHBondContact N-O 3.39Å; A434-P447 WeakPolarHBondContact O-CD 3.33Å; A437-P447 HydrophobicContact CB-CG 3.92Å; V444-P447 HydrophobicContact CG2-CB 4.49Å; R445-P447 VanDerWaalsContact C-CD 3.43Å; P447-S464 CarbonylContact C-O 3.52Å; P447-S464 WeakPolarHBondContact CA-O 3.21Å; P447-A465 HydrophobicContact CB-CB 4.12Å
448S98.6Very high97.5Very high16 Ų1656.8 Ų56.811%0.11229%0.291CS..EExtended strand (participates in β ladder)trans-128.3138.9178.4169.30000108.5L432 N433 R446 E462 L463 S464L432-S448 CarbonylContact O-C 3.52Å; L432-S448 WeakPolarHBondContact O-CA 3.4Å; N433-S448 WeakPolarHBondContact OD1-CB 3.46Å; N433-S448 PolarHBondContact OD1-OG 3.39Å; R446-S448 PolarHBondContact O-N 2.88Å; S448-E462 PolarHBondContact OG-OE1 2.85Å; S448-L463 CarbonylContact O-C 3.5Å; S448-L463 VanDerWaalsContact O-CA 3.26Å; S448-L463 WeakPolarHBondContact O-CA 3.32Å; S448-S464 PolarHBondContact N-O 2.89Å; S448-S464 PolarHBondContact O-N 2.89Å
449L98.4Very high97.5Very high35 Ų3558.1 Ų58.118%0.18330%0.297CS..EExtended strand (participates in β ladder)trans-138.1132.2173.2179152.3000109.6N431 L432 L451 I460 E462 L463N431-L449 CarbonylContact C-O 3.59Å; N431-L449 VanDerWaalsContact CA-O 3.26Å; N431-L449 WeakPolarHBondContact CA-O 3.27Å; L432-L449 HydrophobicContact CB-CB 4.41Å; L432-L449 HydrophobicContact CD1-CD2 4.41Å; L432-L449 PolarHBondContact N-O 3.27Å; L432-L449 PolarHBondContact O-N 2.77Å; L449-L451 HydrophobicContact CD2-CB 3.98Å; L449-L451 HydrophobicContact CD2-CD2 3.82Å; L449-L451 HydrophobicContact CD2-CG 4.09Å; L449-I460 HydrophobicContact CD1-CD1 4.33Å; L449-I460 HydrophobicContact CD1-CG2 4.39Å; L449-I460 HydrophobicContact CG-CG2 4.21Å; L449-E462 CarbonylContact C-O 3.54Å; L449-E462 VanDerWaalsContact CA-O 3.28Å; L449-E462 WeakPolarHBondContact CA-O 3.09Å; L449-L463 HydrophobicContact CB-CD1 4.22Å; L449-L463 HydrophobicContact CD1-CD1 4.28Å
450A98.7Very high97.5Very high13 Ų1357.3 Ų57.311%0.10730%0.295CS..EExtended strand (participates in β ladder)trans-121.8122.516900000109.7N431 I460 S461 E462N431-A450 WeakPolarHBondContact OD1-CA 3.27Å; N431-A450 VanDerWaalsContact OD1-CB 3.26Å; N431-A450 WeakPolarHBondContact OD1-CB 3.42Å; A450-I460 CarbonylContact O-C 3.56Å; A450-I460 WeakPolarHBondContact O-CA 3.09Å; A450-S461 PolarHBondContact O-N 2.82Å; A450-S461 PolarHBondContact O-OG 3.34Å; A450-E462 HydrophobicContact CB-CB 4.01Å; A450-E462 PolarHBondContact N-O 2.88Å
451L98.4Very high97.6Very high24 Ų2460.2 Ų60.213%0.12632%0.316CS..EExtended strand (participates in β ladder)trans-122.9150.2176.87282.8000112.9V425 S429 A430 L449 N459 I460V425-L451 HydrophobicContact CG1-CD1 3.97Å; S429-L451 CarbonylContact C-O 3.56Å; S429-L451 VanDerWaalsContact CA-O 3.27Å; S429-L451 WeakPolarHBondContact CA-O 3.38Å; A430-L451 HydrophobicContact CB-CD1 4.03Å; A430-L451 HydrophobicContact CB-CD2 4.37Å; A430-L451 HydrophobicContact CB-CG 3.99Å; A430-L451 PolarHBondContact N-O 2.82Å; A430-L451 PolarHBondContact O-N 3.36Å; L449-L451 HydrophobicContact CD2-CB 3.98Å; L449-L451 HydrophobicContact CD2-CD2 3.82Å; L449-L451 HydrophobicContact CD2-CG 4.09Å; L451-N459 CarbonylContact C-O 3.59Å; L451-N459 VanDerWaalsContact CA-O 3.23Å; L451-N459 WeakPolarHBondContact CA-O 3.35Å; L451-I460 HydrophobicContact CB-CG1 4.23Å
452T98.6Very high97.7Very high64 Ų6456.4 Ų56.439%0.39331%0.306SS..EExtended strand (participates in β ladder)trans-134136.1167.857.70000109.6G428 V458 N459G428-T452 CarbonylContact O-C 3.54Å; G428-T452 WeakPolarHBondContact O-CA 3.42Å; T452-V458 CarbonylContact O-C 3.6Å; T452-N459 PolarHBondContact N-O 2.96Å; T452-N459 PolarHBondContact O-N 2.88Å
453A98.5Very high97.8Very high11 Ų1159.1 Ų59.19%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-126.9141.6-178.400000110.7V425 S427 G428 T457 V458V425-A453 HydrophobicContact CG1-CB 3.86Å; V425-A453 WeakPolarHBondContact O-CB 3.26Å; S427-A453 CarbonylContact C-O 3.59Å; S427-A453 VanDerWaalsContact CA-O 3.3Å; S427-A453 WeakPolarHBondContact CA-O 3.49Å; G428-A453 PolarHBondContact N-O 3.4Å; G428-A453 PolarHBondContact O-N 2.88Å; A453-T457 WeakPolarHBondContact CA-O 3.49Å; A453-V458 HydrophobicContact CB-CG1 4.45Å; A453-V458 HydrophobicContact CB-CG2 3.98Å
454N96.6Very high97.8Very high69 Ų6954.7 Ų54.737%0.36930%0.297SS..  trans-142.9178.817062.447.5000109.2W426 S456 T457 Q480W426-N454 CarbonylContact O-C 3.51Å; N454-S456 PolarHBondContact O-N 2.92Å; N454-S456 WeakPolarHBondContact OD1-CA 3.42Å; N454-S456 WeakPolarHBondContact OD1-CB 3.37Å; N454-S456 PolarHBondContact OD1-N 2.99Å; N454-T457 PolarHBondContact N-O 3.2Å; N454-T457 PolarHBondContact O-N 3.17Å; N454-T457 PolarHBondContact OD1-N 2.78Å; N454-T457 PolarHBondContact OD1-O 2.95Å; N454-T457 PolarHBondContact OD1-OG1 3.07Å; N454-Q480 VanDerWaalsContact O-CD 3.31Å; N454-Q480 PolarHBondContact O-NE2 3Å
455S93.5Very high97.9Very high107 Ų10755.1 Ų55.175%0.74830%0.301SS*.SBendtrans-55.1-18.9-178.5560000115.4Q480S455-Q480 WeakPolarHBondContact O-CB 3.36Å
456S95.7Very high97.9Very high72 Ų7252.3 Ų52.350%0.50329%0.293SS..SBendtrans-103.9-36.7-176.1-58.70000113.1N454 S479 Q480N454-S456 PolarHBondContact O-N 2.92Å; N454-S456 WeakPolarHBondContact OD1-CA 3.42Å; N454-S456 WeakPolarHBondContact OD1-CB 3.37Å; N454-S456 PolarHBondContact OD1-N 2.99Å; S456-S479 CarbonylContact O-C 3.57Å; S456-S479 WeakPolarHBondContact O-CA 3.28Å; S456-Q480 PolarHBondContact O-N 3.47Å
457T97.6Very high97.8Very high37 Ų3744.3 Ų44.323%0.22726%0.263CS..EExtended strand (participates in β ladder)trans-151.9147.1-170.655.70000112.5A453 N454 N459 V478A453-T457 WeakPolarHBondContact CA-O 3.49Å; N454-T457 PolarHBondContact N-O 3.2Å; N454-T457 PolarHBondContact O-N 3.17Å; N454-T457 PolarHBondContact OD1-N 2.78Å; N454-T457 PolarHBondContact OD1-O 2.95Å; N454-T457 PolarHBondContact OD1-OG1 3.07Å; T457-N459 PolarHBondContact OG1-ND2 2.95Å; T457-V478 CarbonylContact C-O 3.52Å; T457-V478 VanDerWaalsContact CA-O 3.3Å; T457-V478 WeakPolarHBondContact CA-O 3.22Å
458V98.1Very high97.5Very high27 Ų2751 Ų5116%0.16429%0.293CS..EExtended strand (participates in β ladder)trans-100.1119.2156.7-176.50000107.5V425 T452 A453 S477 V478 Q480V425-V458 WeakPolarHBondContact O-CG2 3.4Å; T452-V458 CarbonylContact O-C 3.6Å; A453-V458 HydrophobicContact CB-CG1 4.45Å; A453-V458 HydrophobicContact CB-CG2 3.98Å; V458-S477 CarbonylContact O-C 3.55Å; V458-S477 WeakPolarHBondContact O-CA 3.22Å; V458-V478 HydrophobicContact CB-CB 4.45Å; V458-V478 PolarHBondContact N-O 2.86Å; V458-V478 PolarHBondContact O-N 2.89Å; V458-Q480 HydrophobicContact CG2-CG 4.09Å
459N98.5Very high97.3Very high50 Ų5055.7 Ų55.727%0.26731%0.311SS..EExtended strand (participates in β ladder)trans-112.4122.4179.5-63-51000109.5L451 T452 T457 A476 S477L451-N459 CarbonylContact C-O 3.59Å; L451-N459 VanDerWaalsContact CA-O 3.23Å; L451-N459 WeakPolarHBondContact CA-O 3.35Å; T452-N459 PolarHBondContact N-O 2.96Å; T452-N459 PolarHBondContact O-N 2.88Å; T457-N459 PolarHBondContact OG1-ND2 2.95Å; N459-A476 CarbonylContact C-O 3.59Å; N459-S477 VanDerWaalsContact OD1-CB 3.28Å; N459-S477 WeakPolarHBondContact OD1-CB 3.38Å
460I98.5Very high97.3Very high37 Ų3754.7 Ų54.719%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-93.6100167.5-63.1168000106.5L449 A450 L451 E462 L463 T475 A476L449-I460 HydrophobicContact CD1-CD1 4.33Å; L449-I460 HydrophobicContact CD1-CG2 4.39Å; L449-I460 HydrophobicContact CG-CG2 4.21Å; A450-I460 CarbonylContact O-C 3.56Å; A450-I460 WeakPolarHBondContact O-CA 3.09Å; L451-I460 HydrophobicContact CB-CG1 4.23Å; I460-E462 WeakPolarHBondContact CG2-O 3.46Å; I460-L463 HydrophobicContact CG2-CB 3.93Å; I460-T475 WeakPolarHBondContact O-CA 3.46Å; I460-T475 WeakPolarHBondContact O-CB 3.41Å; I460-A476 HydrophobicContact CB-CB 4.19Å; I460-A476 HydrophobicContact CD1-CB 4.16Å; I460-A476 PolarHBondContact N-O 2.87Å; I460-A476 PolarHBondContact O-N 3.31Å
461S97.9Very high97.2Very high78 Ų7855.1 Ų55.155%0.54531%0.31SS..EExtended strand (participates in β ladder)trans-81-22.2-177.754.20000112.9A450A450-S461 PolarHBondContact O-N 2.82Å; A450-S461 PolarHBondContact O-OG 3.34Å
462E97.1Very high97.2Very high88 Ų8854.5 Ų54.541%0.41131%0.306SS..EExtended strand (participates in β ladder)trans-143.7131174.8-172.3-171.3145.400108.6S448 L449 A450 I460 S464S448-E462 PolarHBondContact OG-OE1 2.85Å; L449-E462 CarbonylContact C-O 3.54Å; L449-E462 VanDerWaalsContact CA-O 3.28Å; L449-E462 WeakPolarHBondContact CA-O 3.09Å; A450-E462 HydrophobicContact CB-CB 4.01Å; A450-E462 PolarHBondContact N-O 2.88Å; I460-E462 WeakPolarHBondContact CG2-O 3.46Å; E462-S464 PolarHBondContact OE1-OG 3.49Å
463L98.3Very high97.2Very high74 Ų7454.6 Ų54.639%0.38730%0.302SS..EExtended strand (participates in β ladder)trans-139.9112.4162.6171.958.5000106.7S448 L449 I460 E473 A474S448-L463 CarbonylContact O-C 3.5Å; S448-L463 VanDerWaalsContact O-CA 3.26Å; S448-L463 WeakPolarHBondContact O-CA 3.32Å; L449-L463 HydrophobicContact CB-CD1 4.22Å; L449-L463 HydrophobicContact CD1-CD1 4.28Å; I460-L463 HydrophobicContact CG2-CB 3.93Å; L463-E473 CarbonylContact O-C 3.54Å; L463-E473 WeakPolarHBondContact O-CA 3.21Å; L463-A474 HydrophobicContact CB-CB 4.14Å; L463-A474 HydrophobicContact CD2-CB 4.19Å; L463-A474 HydrophobicContact CG-CB 4.33Å; L463-A474 PolarHBondContact N-O 2.94Å; L463-A474 PolarHBondContact O-N 3.11Å
464S98.5Very high97.2Very high19 Ų1954.7 Ų54.713%0.13330%0.304CS..EExtended strand (participates in β ladder)trans-136.9150.4-177.167.50000111.7P447 S448 E462 L472P447-S464 CarbonylContact C-O 3.52Å; P447-S464 WeakPolarHBondContact CA-O 3.21Å; S448-S464 PolarHBondContact N-O 2.89Å; S448-S464 PolarHBondContact O-N 2.89Å; E462-S464 PolarHBondContact OE1-OG 3.49Å; S464-L472 CarbonylContact C-O 3.4Å; S464-L472 WeakPolarHBondContact CA-O 3.25Å
465A98.4Very high97.3Very high12 Ų1254.6 Ų54.610%0.09931%0.305CS..EExtended strand (participates in β ladder)trans-158.4145.9172.400000111.3V444 P447 I471 L472V444-A465 HydrophobicContact CB-CB 3.85Å; V444-A465 HydrophobicContact CG1-CB 4.29Å; V444-A465 HydrophobicContact CG2-CB 4Å; P447-A465 HydrophobicContact CB-CB 4.12Å; A465-I471 WeakPolarHBondContact O-CA 3.18Å; A465-I471 WeakPolarHBondContact O-CG1 3.5Å; A465-L472 PolarHBondContact N-O 2.92Å; A465-L472 PolarHBondContact O-N 2.88Å
466F98.4Very high97.6Very high79 Ų7950.5 Ų50.535%0.34628%0.278SS..EExtended strand (participates in β ladder)trans-88.7128.8173.6-65.3-87.3000110.4V444 R445 R446 G470 I471V444-F466 CarbonylContact C-O 3.45Å; V444-F466 VanDerWaalsContact CA-O 3.25Å; V444-F466 WeakPolarHBondContact CA-O 3.28Å; R445-F466 HydrophobicContact CB-CB 4.35Å; R445-F466 PolarHBondContact N-O 2.96Å; R445-F466 PolarHBondContact O-N 2.9Å; R446-F466 HydrophobicContact CB-CD2 4.1Å; R446-F466 HydrophobicContact CB-CE2 4.45Å; F466-G470 CarbonylContact C-O 3.39Å; F466-G470 WeakPolarHBondContact CA-O 3.41Å; F466-I471 HydrophobicContact CD1-CB 4.12Å; F466-I471 HydrophobicContact CD1-CD1 4.33Å; F466-I471 HydrophobicContact CD1-CG1 4.16Å; F466-I471 HydrophobicContact CE1-CB 4.24Å; F466-I471 HydrophobicContact CE1-CD1 3.81Å; F466-I471 HydrophobicContact CE1-CG1 4.14Å; F466-I471 HydrophobicContact CE2-CD1 4.45Å; F466-I471 HydrophobicContact CZ-CD1 3.88Å
467T96.5Very high97.7Very high5 Ų548.8 Ų48.83%0.03127%0.266CS..  trans-83.5-173.4167.875.10000109.2K469 G470 L472 V495 I499T467-K469 PolarHBondContact O-N 2.82Å; T467-K469 PolarHBondContact OG1-N 2.91Å; T467-G470 PolarHBondContact N-O 2.68Å; T467-G470 PolarHBondContact OG1-N 2.77Å; T467-G470 PolarHBondContact OG1-O 2.9Å; T467-L472 HydrophobicContact CG2-CD1 3.93Å; T467-L472 HydrophobicContact CG2-CG 3.95Å; T467-V495 HydrophobicContact CG2-CG1 3.92Å; T467-I499 HydrophobicContact CG2-CD1 3.38Å
468E93.2Very high97.7Very high154 Ų15448.9 Ų48.972%0.7227%0.266SS*.SBendtrans-61.6-34.6171-162.4-16113700112
469K94.1Very high97.7Very high115 Ų11548.3 Ų48.350%0.526%0.264SS..SBendtrans-109.9-26.7-170.6-56.6-57.6-172.9-156.80114.7T467 G494T467-K469 PolarHBondContact O-N 2.82Å; T467-K469 PolarHBondContact OG1-N 2.91Å; K469-G494 CarbonylContact C-O 3.55Å; K469-G494 WeakPolarHBondContact CB-O 3.22Å
470G97.3Very high97.5Very high14 Ų1447.2 Ų47.214%0.14426%0.257CS..SBendtrans-155.5-159-169.300000113.6F466 T467 R493 G494F466-G470 CarbonylContact C-O 3.39Å; F466-G470 WeakPolarHBondContact CA-O 3.41Å; T467-G470 PolarHBondContact N-O 2.68Å; T467-G470 PolarHBondContact OG1-N 2.77Å; T467-G470 PolarHBondContact OG1-O 2.9Å; G470-R493 VanDerWaalsContact CA-O 3.24Å; G470-R493 WeakPolarHBondContact CA-O 3.41Å; G470-G494 VanDerWaalsContact CA-O 3.26Å; G470-G494 WeakPolarHBondContact CA-O 3.13Å; G470-G494 PolarHBondContact N-O 2.93Å
471I98.2Very high97.2Very high22 Ų2248.1 Ų48.111%0.11326%0.264CS..EExtended strand (participates in β ladder)trans-126.9141179.7-166.6176.5000110.4A465 F466 E473 G492 R493 V495A465-I471 WeakPolarHBondContact O-CA 3.18Å; A465-I471 WeakPolarHBondContact O-CG1 3.5Å; F466-I471 HydrophobicContact CD1-CB 4.12Å; F466-I471 HydrophobicContact CD1-CD1 4.33Å; F466-I471 HydrophobicContact CD1-CG1 4.16Å; F466-I471 HydrophobicContact CE1-CB 4.24Å; F466-I471 HydrophobicContact CE1-CD1 3.81Å; F466-I471 HydrophobicContact CE1-CG1 4.14Å; F466-I471 HydrophobicContact CE2-CD1 4.45Å; F466-I471 HydrophobicContact CZ-CD1 3.88Å; I471-E473 HydrophobicContact CD1-CG 3.92Å; I471-E473 HydrophobicContact CG1-CG 4.02Å; I471-G492 CarbonylContact O-C 3.57Å; I471-G492 VanDerWaalsContact O-CA 3.3Å; I471-G492 WeakPolarHBondContact O-CA 3.47Å; I471-R493 HydrophobicContact CG2-CB 4.05Å; I471-R493 PolarHBondContact N-O 3.47Å; I471-R493 PolarHBondContact O-N 3.37Å; I471-V495 WeakPolarHBondContact O-CG1 3.46Å
472L98.4Very high96.9Very high10 Ų1049.5 Ų49.55%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-106.3135.5166.2-64.9171.3000108.3S464 A465 T467 L490 N491 V495 I499 W503 I516S464-L472 CarbonylContact C-O 3.4Å; S464-L472 WeakPolarHBondContact CA-O 3.25Å; A465-L472 PolarHBondContact N-O 2.92Å; A465-L472 PolarHBondContact O-N 2.88Å; T467-L472 HydrophobicContact CG2-CD1 3.93Å; T467-L472 HydrophobicContact CG2-CG 3.95Å; L472-L490 HydrophobicContact CD2-CD2 4.36Å; L472-N491 CarbonylContact C-O 3.58Å; L472-N491 WeakPolarHBondContact CA-O 3.33Å; L472-V495 HydrophobicContact CD2-CG1 4.06Å; L472-V495 HydrophobicContact CD2-CG2 4.2Å; L472-V495 HydrophobicContact CG-CG1 4.26Å; L472-I499 HydrophobicContact CD1-CD1 4.1Å; L472-I499 HydrophobicContact CD2-CG2 4.37Å; L472-W503 HydrophobicContact CD1-CH2 3.6Å; L472-W503 HydrophobicContact CD1-CZ3 3.84Å; L472-I516 HydrophobicContact CD2-CD1 4.2Å
473E98.5Very high96.7Very high66 Ų6649.4 Ų49.431%0.30827%0.271SS..EExtended strand (participates in β ladder)trans-137.3132.6-179-64.6171.910200108.3L463 I471 L490 N491 R493L463-E473 CarbonylContact O-C 3.54Å; L463-E473 WeakPolarHBondContact O-CA 3.21Å; I471-E473 HydrophobicContact CD1-CG 3.92Å; I471-E473 HydrophobicContact CG1-CG 4.02Å; E473-L490 CarbonylContact O-C 3.48Å; E473-L490 WeakPolarHBondContact O-CA 3.36Å; E473-N491 PolarHBondContact N-O 2.82Å; E473-N491 PolarHBondContact O-N 2.9Å; E473-R493 IonicContact OE1-NH2 2.75Å; E473-R493 IonicContact OE2-CZ 3.25Å; E473-R493 VanDerWaalsContact OE2-CZ 3.25Å; E473-R493 IonicContact OE2-NE 2.94Å; E473-R493 PolarHBondContact OE2-NE 2.8Å; E473-R493 IonicContact OE2-NH2 3.89Å; E473-R493 PolarHBondContact OE2-NH2 2.88Å
474A98.5Very high96.6Very high14 Ų1449.1 Ų49.112%0.11627%0.265CS..EExtended strand (participates in β ladder)trans-146160-176.200000112.5L463 S489 L490L463-A474 HydrophobicContact CB-CB 4.14Å; L463-A474 HydrophobicContact CD2-CB 4.19Å; L463-A474 HydrophobicContact CG-CB 4.33Å; L463-A474 PolarHBondContact N-O 2.94Å; L463-A474 PolarHBondContact O-N 3.11Å; A474-S489 CarbonylContact C-O 3.49Å; A474-S489 WeakPolarHBondContact CA-O 3.12Å; A474-S489 WeakPolarHBondContact CB-O 3.4Å; A474-L490 HydrophobicContact CB-CB 3.89Å; A474-L490 HydrophobicContact CB-CD1 4.41Å; A474-L490 HydrophobicContact CB-CG 4.23Å
475T98.7Very high96.5Very high66 Ų6653.1 Ų53.141%0.40528%0.281SS..EExtended strand (participates in β ladder)trans-134.1152.7169.158.80000108.3I460 I488 S489I460-T475 WeakPolarHBondContact O-CA 3.46Å; I460-T475 WeakPolarHBondContact O-CB 3.41Å; T475-I488 WeakPolarHBondContact O-CA 3.35Å; T475-S489 PolarHBondContact N-O 2.75Å; T475-S489 PolarHBondContact O-N 2.94Å
476A98.4Very high96.5Very high21 Ų2153.2 Ų53.217%0.17428%0.28CS..EExtended strand (participates in β ladder)trans-147.3154.9174.500000111.7N459 I460 H487 I488N459-A476 CarbonylContact C-O 3.59Å; I460-A476 HydrophobicContact CB-CB 4.19Å; I460-A476 HydrophobicContact CD1-CB 4.16Å; I460-A476 PolarHBondContact N-O 2.87Å; I460-A476 PolarHBondContact O-N 3.31Å; A476-H487 CarbonylContact C-O 3.48Å; A476-H487 WeakPolarHBondContact CA-O 3.37Å; A476-H487 WeakPolarHBondContact CB-O 3.39Å; A476-I488 HydrophobicContact CB-CG1 4.07Å
477S98.2Very high96.5Very high36 Ų3654.2 Ų54.225%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-134.9137.4169.960.30000109.2V458 N459 T486 H487V458-S477 CarbonylContact O-C 3.55Å; V458-S477 WeakPolarHBondContact O-CA 3.22Å; N459-S477 VanDerWaalsContact OD1-CB 3.28Å; N459-S477 WeakPolarHBondContact OD1-CB 3.38Å; S477-T486 CarbonylContact O-C 3.46Å; S477-T486 WeakPolarHBondContact O-CA 3.41Å; S477-H487 PolarHBondContact N-O 2.91Å; S477-H487 PolarHBondContact O-N 3.35Å
478V97.8Very high96.6Very high39 Ų3957.4 Ų57.424%0.23630%0.302CS..EExtended strand (participates in β ladder)trans-128117.3177.7-176.60000107.4T457 V458 R484 Q485 T486T457-V478 CarbonylContact C-O 3.52Å; T457-V478 VanDerWaalsContact CA-O 3.3Å; T457-V478 WeakPolarHBondContact CA-O 3.22Å; V458-V478 HydrophobicContact CB-CB 4.45Å; V458-V478 PolarHBondContact N-O 2.86Å; V458-V478 PolarHBondContact O-N 2.89Å; V478-R484 HydrophobicContact CG1-CB 4.37Å; V478-Q485 CarbonylContact C-O 3.55Å; V478-Q485 WeakPolarHBondContact CA-O 3.49Å; V478-T486 HydrophobicContact CG2-CG2 3.94Å
479S97.6Very high96.8Very high15 Ų1552 Ų5211%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-66.2145.7175.473.30000110.7S456 T481 R484 Q485S456-S479 CarbonylContact O-C 3.57Å; S456-S479 WeakPolarHBondContact O-CA 3.28Å; S479-T481 VanDerWaalsContact C-N 3.25Å; S479-T481 PolarHBondContact O-N 3.01Å; S479-T481 PolarHBondContact OG-OG1 3.46Å; S479-R484 WeakPolarHBondContact O-CA 3.44Å; S479-R484 WeakPolarHBondContact O-CD 3.05Å; S479-Q485 PolarHBondContact N-O 2.81Å; S479-Q485 PolarHBondContact OG-N 2.81Å
480Q94.2Very high97Very high27 Ų2747.5 Ų47.513%0.12626%0.263CS..SBendtrans-9321.2174.4-64.5-147.242.300112.5V425 W426 N454 S455 S456 V458 R484V425-Q480 PolarHBondContact O-NE2 2.63Å; V425-Q480 VanDerWaalsContact O-NE2 3.11Å; W426-Q480 PolarHBondContact O-NE2 2.72Å; N454-Q480 VanDerWaalsContact O-CD 3.31Å; N454-Q480 PolarHBondContact O-NE2 3Å; S455-Q480 WeakPolarHBondContact O-CB 3.36Å; S456-Q480 PolarHBondContact O-N 3.47Å; V458-Q480 HydrophobicContact CG2-CG 4.09Å; Q480-R484 VanDerWaalsContact CA-NH1 3.26Å; Q480-R484 PolarHBondContact O-NH1 2.87Å
481T92.3Very high97.1Very high57 Ų5749.9 Ų49.935%0.3527%0.272SS..SBendtrans-78.6164165.567.20000110.8S479 Q483 R484S479-T481 VanDerWaalsContact C-N 3.25Å; S479-T481 PolarHBondContact O-N 3.01Å; S479-T481 PolarHBondContact OG-OG1 3.46Å; T481-Q483 PolarHBondContact O-N 2.74Å; T481-Q483 VanDerWaalsContact O-N 3.16Å; T481-R484 VanDerWaalsContact O-CD 3.27Å; T481-R484 WeakPolarHBondContact O-CD 3.43Å; T481-R484 PolarHBondContact O-N 3.13Å; T481-R484 PolarHBondContact O-NH1 3.35Å
482P91.4Very high97.1Very high106 Ų10648.9 Ų48.969%0.68827%0.268SS*.THydrogen-bonded Turntrans-54.8-29.8174.4-27.836.5000114.2R484P482-R484 VanDerWaalsContact C-N 3.3Å; P482-R484 PolarHBondContact O-N 2.99Å
483Q93.8Very high97.1Very high86 Ų8655 Ų5540%0.40229%0.29SS..THydrogen-bonded Turntrans-69.4-26.7178.4-70.476.85.500113.2T481 Q485 I524 Q525T481-Q483 PolarHBondContact O-N 2.74Å; T481-Q483 VanDerWaalsContact O-N 3.16Å; Q483-Q485 HydrophobicContact CB-CG 4.44Å; Q483-Q485 PolarHBondContact O-N 2.99Å; Q483-I524 PolarHBondContact O-N 3.2Å; Q483-Q525 HydrophobicContact CB-CG 4.46Å; Q483-Q525 WeakPolarHBondContact O-CG 3.37Å
484R95.4Very high97Very high68 Ų6853.3 Ų53.326%0.25729%0.29SS..  trans48.443.5-177.3-56.3-67.6-166.8-12817.4112.9V478 S479 Q480 T481 P482 T486 I524V478-R484 HydrophobicContact CG1-CB 4.37Å; S479-R484 WeakPolarHBondContact O-CA 3.44Å; S479-R484 WeakPolarHBondContact O-CD 3.05Å; Q480-R484 VanDerWaalsContact CA-NH1 3.26Å; Q480-R484 PolarHBondContact O-NH1 2.87Å; T481-R484 VanDerWaalsContact O-CD 3.27Å; T481-R484 WeakPolarHBondContact O-CD 3.43Å; T481-R484 PolarHBondContact O-N 3.13Å; T481-R484 PolarHBondContact O-NH1 3.35Å; P482-R484 VanDerWaalsContact C-N 3.3Å; P482-R484 PolarHBondContact O-N 2.99Å; R484-T486 PolarHBondContact O-N 2.88Å; R484-T486 PolarHBondContact O-OG1 3.37Å; R484-I524 HydrophobicContact CB-CB 3.94Å; R484-I524 VanDerWaalsContact CB-O 3.28Å; R484-I524 WeakPolarHBondContact CB-O 3.31Å; R484-I524 WeakPolarHBondContact CG-O 3.28Å; R484-I524 PolarHBondContact O-N 3.36Å
485Q97.7Very high97Very high104 Ų10452.7 Ų52.749%0.48629%0.285SS..EExtended strand (participates in β ladder)trans-48.1122.9173.3-82.7177.8-19.500110.3V478 S479 Q483 D523V478-Q485 CarbonylContact C-O 3.55Å; V478-Q485 WeakPolarHBondContact CA-O 3.49Å; S479-Q485 PolarHBondContact N-O 2.81Å; S479-Q485 PolarHBondContact OG-N 2.81Å; Q483-Q485 HydrophobicContact CB-CG 4.44Å; Q483-Q485 PolarHBondContact O-N 2.99Å; Q485-D523 WeakPolarHBondContact CG-OD1 3.42Å
486T98.2Very high96.9Very high13 Ų1351.7 Ų51.78%0.0828%0.279CS..EExtended strand (participates in β ladder)trans-122.6136-172.5-630000109.9S477 V478 R484 I488 S521 G522 I524S477-T486 CarbonylContact O-C 3.46Å; S477-T486 WeakPolarHBondContact O-CA 3.41Å; V478-T486 HydrophobicContact CG2-CG2 3.94Å; R484-T486 PolarHBondContact O-N 2.88Å; R484-T486 PolarHBondContact O-OG1 3.37Å; T486-I488 HydrophobicContact CG2-CD1 4.47Å; T486-I488 HydrophobicContact CG2-CG1 4.2Å; T486-S521 CarbonylContact O-C 3.59Å; T486-S521 WeakPolarHBondContact O-CA 3.31Å; T486-S521 WeakPolarHBondContact O-CB 3.19Å; T486-G522 PolarHBondContact N-O 2.76Å; T486-G522 PolarHBondContact O-N 2.79Å; T486-I524 HydrophobicContact CG2-CD1 4.18Å; T486-I524 WeakPolarHBondContact OG1-CD1 3.43Å; T486-I524 WeakPolarHBondContact OG1-CG1 3.11Å
487H98.4Very high96.8Very high100 Ų10050.9 Ų50.946%0.46327%0.272SS..EExtended strand (participates in β ladder)trans-127.1139.2171.6-62.280.6000109.3A476 S477 A520A476-H487 CarbonylContact C-O 3.48Å; A476-H487 WeakPolarHBondContact CA-O 3.37Å; A476-H487 WeakPolarHBondContact CB-O 3.39Å; S477-H487 PolarHBondContact N-O 2.91Å; S477-H487 PolarHBondContact O-N 3.35Å; H487-A520 CarbonylContact C-O 3.55Å; H487-A520 WeakPolarHBondContact CA-O 3.43Å
488I98Very high96.7Very high73 Ų7350.6 Ų50.637%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-131.4133.8178.1-58.3173.1000107.8T475 A476 T486 T519 A520T475-I488 WeakPolarHBondContact O-CA 3.35Å; A476-I488 HydrophobicContact CB-CG1 4.07Å; T486-I488 HydrophobicContact CG2-CD1 4.47Å; T486-I488 HydrophobicContact CG2-CG1 4.2Å; I488-T519 CarbonylContact O-C 3.48Å; I488-T519 WeakPolarHBondContact O-CA 3.44Å; I488-A520 PolarHBondContact N-O 2.94Å; I488-A520 PolarHBondContact O-N 2.78Å
489S98.5Very high96.6Very high41 Ų4149.5 Ų49.529%0.28726%0.261SS..EExtended strand (participates in β ladder)trans-126.4120.7168.4-178.90000108A474 T475 L518A474-S489 CarbonylContact C-O 3.49Å; A474-S489 WeakPolarHBondContact CA-O 3.12Å; A474-S489 WeakPolarHBondContact CB-O 3.4Å; T475-S489 PolarHBondContact N-O 2.75Å; T475-S489 PolarHBondContact O-N 2.94Å; S489-L518 CarbonylContact C-O 3.55Å; S489-L518 WeakPolarHBondContact CA-O 3.4Å
490L98.5Very high96.5Very high20 Ų2049.3 Ų49.311%0.10526%0.258CS..EExtended strand (participates in β ladder)trans-125.4136.5-179.3173.1156.2000109.9L472 E473 A474 L500 I516 Q517 L518L472-L490 HydrophobicContact CD2-CD2 4.36Å; E473-L490 CarbonylContact O-C 3.48Å; E473-L490 WeakPolarHBondContact O-CA 3.36Å; A474-L490 HydrophobicContact CB-CB 3.89Å; A474-L490 HydrophobicContact CB-CD1 4.41Å; A474-L490 HydrophobicContact CB-CG 4.23Å; L490-L500 HydrophobicContact CD1-CD2 4.27Å; L490-L500 HydrophobicContact CD2-CD1 4.35Å; L490-L500 HydrophobicContact CD2-CD2 4.43Å; L490-I516 HydrophobicContact CD2-CD1 4.03Å; L490-I516 HydrophobicContact CD2-CG1 4.3Å; L490-Q517 CarbonylContact O-C 3.59Å; L490-Q517 WeakPolarHBondContact O-CA 3.37Å; L490-L518 HydrophobicContact CB-CB 4.19Å; L490-L518 HydrophobicContact CD2-CB 4.27Å; L490-L518 PolarHBondContact N-O 2.79Å; L490-L518 PolarHBondContact O-N 2.7Å
491N98.5Very high96.5Very high64 Ų6451.9 Ų51.934%0.34227%0.27SS..EExtended strand (participates in β ladder)trans-124.1133.4174.7-64.7-49.2000108.6L472 E473 I516 Q517L472-N491 CarbonylContact C-O 3.58Å; L472-N491 WeakPolarHBondContact CA-O 3.33Å; E473-N491 PolarHBondContact N-O 2.82Å; E473-N491 PolarHBondContact O-N 2.9Å; N491-I516 CarbonylContact C-O 3.49Å; N491-I516 WeakPolarHBondContact CA-O 3.47Å; N491-Q517 WeakPolarHBondContact OD1-CG 3.3Å
492G98.4Very high96.6Very high1 Ų153.1 Ų53.11%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-115.1138.1168.200000110.1I471 N515 I516I471-G492 CarbonylContact O-C 3.57Å; I471-G492 VanDerWaalsContact O-CA 3.3Å; I471-G492 WeakPolarHBondContact O-CA 3.47Å; G492-N515 CarbonylContact O-C 3.57Å; G492-N515 WeakPolarHBondContact O-CA 3.35Å; G492-I516 PolarHBondContact N-O 3.03Å; G492-I516 PolarHBondContact O-N 3.45Å
493R98.1Very high96.7Very high139 Ų13951.9 Ų51.953%0.52525%0.254SS..EExtended strand (participates in β ladder)trans-125.7119.2177.4-62.8-175.1-69.5150.9-3.7110.1G470 I471 E473 V495 N515G470-R493 VanDerWaalsContact CA-O 3.24Å; G470-R493 WeakPolarHBondContact CA-O 3.41Å; I471-R493 HydrophobicContact CG2-CB 4.05Å; I471-R493 PolarHBondContact N-O 3.47Å; I471-R493 PolarHBondContact O-N 3.37Å; E473-R493 IonicContact OE1-NH2 2.75Å; E473-R493 IonicContact OE2-CZ 3.25Å; E473-R493 VanDerWaalsContact OE2-CZ 3.25Å; E473-R493 IonicContact OE2-NE 2.94Å; E473-R493 PolarHBondContact OE2-NE 2.8Å; E473-R493 IonicContact OE2-NH2 3.89Å; E473-R493 PolarHBondContact OE2-NH2 2.88Å; R493-V495 VanDerWaalsContact C-N 3.3Å; R493-V495 PolarHBondContact O-N 3.03Å; R493-N515 WeakPolarHBondContact CA-OD1 3.4Å
494G97.5Very high96.7Very high30 Ų3051 Ų5131%0.30927%0.267SS..EExtended strand (participates in β ladder)trans63.432.6-177.300000113.8K469 G470 G514 N515K469-G494 CarbonylContact C-O 3.55Å; K469-G494 WeakPolarHBondContact CB-O 3.22Å; G470-G494 VanDerWaalsContact CA-O 3.26Å; G470-G494 WeakPolarHBondContact CA-O 3.13Å; G470-G494 PolarHBondContact N-O 2.93Å; G494-G514 CarbonylContact C-O 3.54Å; G494-G514 VanDerWaalsContact CA-O 3.31Å; G494-G514 WeakPolarHBondContact CA-O 3.29Å; G494-G514 PolarHBondContact N-O 3.14Å; G494-N515 PolarHBondContact N-OD1 3.16Å; G494-N515 VanDerWaalsContact N-OD1 3.16Å
495V97.7Very high96.6Very high0 Ų048.9 Ų48.90%026%0.259CS..EExtended strand (participates in β ladder)trans-102.2156.5-179.8-61.70000110.5T467 I471 L472 R493 V497 I499 D513 G514 I516T467-V495 HydrophobicContact CG2-CG1 3.92Å; I471-V495 WeakPolarHBondContact O-CG1 3.46Å; L472-V495 HydrophobicContact CD2-CG1 4.06Å; L472-V495 HydrophobicContact CD2-CG2 4.2Å; L472-V495 HydrophobicContact CG-CG1 4.26Å; R493-V495 VanDerWaalsContact C-N 3.3Å; R493-V495 PolarHBondContact O-N 3.03Å; V495-V497 PolarHBondContact O-N 2.95Å; V495-I499 HydrophobicContact CG2-CG2 4.26Å; V495-D513 CarbonylContact O-C 3.54Å; V495-D513 WeakPolarHBondContact O-CA 3.42Å; V495-G514 PolarHBondContact N-O 2.96Å; V495-G514 PolarHBondContact O-N 3.12Å; V495-I516 HydrophobicContact CG2-CD1 4.09Å; V495-I516 HydrophobicContact CG2-CG1 4.02Å
496P96.7Very high96.4Very high46 Ų4646.6 Ų46.630%0.29925%0.254SS..EExtended strand (participates in β ladder)trans-54.5125168.3-24.834.5000109.6N498 I499P496-N498 PolarHBondContact O-N 2.8Å; P496-N498 VanDerWaalsContact O-N 3.1Å; P496-I499 HydrophobicContact CB-CB 4.49Å; P496-I499 VanDerWaalsContact O-CB 3.28Å; P496-I499 WeakPolarHBondContact O-CB 3.42Å; P496-I499 VanDerWaalsContact O-CG2 3.31Å; P496-I499 WeakPolarHBondContact O-CG2 3.24Å; P496-I499 PolarHBondContact O-N 2.96Å
497V96Very high96.2Very high3 Ų351.6 Ų51.62%0.01828%0.276CS..THydrogen-bonded Turntrans-61.7-26.3-172.3-64.20000112.9V495 L508 L510 G512 N542V495-V497 PolarHBondContact O-N 2.95Å; V497-L508 HydrophobicContact CB-CD1 4.34Å; V497-L508 WeakPolarHBondContact O-CD1 3.24Å; V497-L510 HydrophobicContact CG2-CB 3.79Å; V497-L510 WeakPolarHBondContact CG2-O 3.3Å; V497-G512 WeakPolarHBondContact CG2-O 3.24Å; V497-G512 PolarHBondContact N-O 3.33Å; V497-N542 HydrophobicContact CG1-CB 4.13Å
498N95.5Very high96Very high31 Ų3147.1 Ų47.117%0.16626%0.255CS..THydrogen-bonded Turntrans-90.911.2176.4-77.4-36.4000114.7P496 L500 Q501 L508 L510P496-N498 PolarHBondContact O-N 2.8Å; P496-N498 VanDerWaalsContact O-N 3.1Å; N498-L500 PolarHBondContact O-N 3.43Å; N498-L500 VanDerWaalsContact O-N 3.14Å; N498-Q501 WeakPolarHBondContact O-CB 3.35Å; N498-Q501 PolarHBondContact O-N 3.23Å; N498-L508 PolarHBondContact ND2-O 3.3Å; N498-L508 WeakPolarHBondContact OD1-CA 3.4Å; N498-L508 VanDerWaalsContact OD1-CB 3.23Å; N498-L508 WeakPolarHBondContact OD1-CB 3.26Å; N498-L508 PolarHBondContact OD1-N 3.08Å; N498-L508 PolarHBondContact OD1-O 3.24Å; N498-L510 PolarHBondContact ND2-O 2.95Å
499I96.1Very high95.8Very high16 Ų1647.1 Ų47.18%0.08226%0.26CS..G310 helixtrans-56.7-34.7-176.4-167.3165.2000113.6V442 T467 L472 V495 P496 Q501 I516V442-I499 HydrophobicContact CG1-CD1 3.9Å; V442-I499 HydrophobicContact CG1-CG1 3.94Å; T467-I499 HydrophobicContact CG2-CD1 3.38Å; L472-I499 HydrophobicContact CD1-CD1 4.1Å; L472-I499 HydrophobicContact CD2-CG2 4.37Å; V495-I499 HydrophobicContact CG2-CG2 4.26Å; P496-I499 HydrophobicContact CB-CB 4.49Å; P496-I499 VanDerWaalsContact O-CB 3.28Å; P496-I499 WeakPolarHBondContact O-CB 3.42Å; P496-I499 VanDerWaalsContact O-CG2 3.31Å; P496-I499 WeakPolarHBondContact O-CG2 3.24Å; P496-I499 PolarHBondContact O-N 2.96Å; I499-Q501 PolarHBondContact O-N 3.25Å; I499-I516 HydrophobicContact CG2-CD1 3.97Å
500L95.7Very high95.5Very high10 Ų1045.3 Ų45.35%0.05225%0.247CC..G310 helixtrans-71.2-9178.8-59.1-177000113.4L490 N498 Q502 W503 G504 W505 I516 L518 L538L490-L500 HydrophobicContact CD1-CD2 4.27Å; L490-L500 HydrophobicContact CD2-CD1 4.35Å; L490-L500 HydrophobicContact CD2-CD2 4.43Å; N498-L500 PolarHBondContact O-N 3.43Å; N498-L500 VanDerWaalsContact O-N 3.14Å; L500-Q502 VanDerWaalsContact C-N 3.31Å; L500-Q502 PolarHBondContact O-N 3.25Å; L500-W503 HydrophobicContact CD2-CE3 3.57Å; L500-W503 HydrophobicContact CD2-CZ3 3.84Å; L500-W503 CarbonylContact O-C 3.57Å; L500-W503 WeakPolarHBondContact O-CA 3.26Å; L500-W503 PolarHBondContact O-N 2.93Å; L500-G504 PolarHBondContact O-N 2.8Å; L500-W505 HydrophobicContact CB-CB 3.78Å; L500-W505 HydrophobicContact CB-CG 4.5Å; L500-W505 WeakPolarHBondContact O-CB 3.49Å; L500-W505 PolarHBondContact O-N 2.96Å; L500-W505 VanDerWaalsContact O-N 3.08Å; L500-I516 HydrophobicContact CD1-CD1 3.85Å; L500-I516 HydrophobicContact CD2-CD1 4.39Å; L500-I516 HydrophobicContact CG-CD1 3.85Å; L500-L518 HydrophobicContact CD1-CD2 4.11Å; L500-L538 HydrophobicContact CD1-CD1 3.95Å; L500-L538 HydrophobicContact CD1-CD2 4.22Å
501Q95.2Very high95.2Very high82 Ų8249.4 Ų49.438%0.38327%0.273SS..G310 helixtrans-61.1-41.8177.2-173.3-17417.100112.1N498 I499 W503 G504 W505 E507N498-Q501 WeakPolarHBondContact O-CB 3.35Å; N498-Q501 PolarHBondContact O-N 3.23Å; I499-Q501 PolarHBondContact O-N 3.25Å; Q501-W503 PolarHBondContact O-N 3.16Å; Q501-W503 VanDerWaalsContact O-N 3.16Å; Q501-G504 PolarHBondContact O-N 2.89Å; Q501-G504 VanDerWaalsContact O-N 3.08Å; Q501-W505 VanDerWaalsContact CA-O 3.25Å; Q501-W505 WeakPolarHBondContact CA-O 3.46Å; Q501-E507 PolarHBondContact NE2-OE2 2.84Å
502Q93.2Very high95.1Very high83 Ų8348.6 Ų48.639%0.38828%0.28SS..G310 helixtrans-64.9-16.6174.8-65.5-64-24.200112.1N440 V442 L500N440-Q502 PolarHBondContact ND2-O 2.75Å; V442-Q502 HydrophobicContact CG2-CB 3.5Å; V442-Q502 HydrophobicContact CG2-CG 3.74Å; L500-Q502 VanDerWaalsContact C-N 3.31Å; L500-Q502 PolarHBondContact O-N 3.25Å
503W94.6Very high95Very high80 Ų8051.7 Ų51.730%0.30330%0.296SS..G310 helixtrans-105.618.4177-54.8-21.9000112.8F401 F439 V442 L472 L500 Q501F401-W503 HydrophobicContact CE2-CB 4.45Å; F401-W503 AromaticContact CE2-CD1 3.76Å; F401-W503 HydrophobicContact CE2-CG 4.35Å; F401-W503 AromaticContact CZ-CD1 3.81Å; F401-W503 HydrophobicContact CZ-CG 4.4Å; F439-W503 HydrophobicContact CB-CZ2 4.1Å; F439-W503 PolarHBondContact O-NE1 3.09Å; V442-W503 HydrophobicContact CB-CZ2 4.03Å; V442-W503 HydrophobicContact CG1-CZ2 3.99Å; V442-W503 HydrophobicContact CG2-CZ2 4.47Å; L472-W503 HydrophobicContact CD1-CH2 3.6Å; L472-W503 HydrophobicContact CD1-CZ3 3.84Å; L500-W503 HydrophobicContact CD2-CE3 3.57Å; L500-W503 HydrophobicContact CD2-CZ3 3.84Å; L500-W503 CarbonylContact O-C 3.57Å; L500-W503 WeakPolarHBondContact O-CA 3.26Å; L500-W503 PolarHBondContact O-N 2.93Å; Q501-W503 PolarHBondContact O-N 3.16Å; Q501-W503 VanDerWaalsContact O-N 3.16Å
504G92.2Very high95Very high66 Ų6645.4 Ų45.468%0.6828%0.275SS*.THydrogen-bonded Turntrans92.42170.200000115.3L500 Q501L500-G504 PolarHBondContact O-N 2.8Å; Q501-G504 PolarHBondContact O-N 2.89Å; Q501-G504 VanDerWaalsContact O-N 3.08Å
505W94Very high95Very high24 Ų2448 Ų489%0.09128%0.282CS..PPolyproline II helixtrans-74.8137.8170.2-163.8-86.8000110.3L500 Q501 L518 L538 Q550 M552 V557L500-W505 HydrophobicContact CB-CB 3.78Å; L500-W505 HydrophobicContact CB-CG 4.5Å; L500-W505 WeakPolarHBondContact O-CB 3.49Å; L500-W505 PolarHBondContact O-N 2.96Å; L500-W505 VanDerWaalsContact O-N 3.08Å; Q501-W505 VanDerWaalsContact CA-O 3.25Å; Q501-W505 WeakPolarHBondContact CA-O 3.46Å; W505-L518 HydrophobicContact CE3-CD1 4.07Å; W505-L518 HydrophobicContact CH2-CD1 3.76Å; W505-L518 HydrophobicContact CZ3-CD1 3.47Å; W505-L518 VanDerWaalsContact CZ3-CD1 3.47Å; W505-L538 HydrophobicContact CD2-CB 4.41Å; W505-L538 HydrophobicContact CD2-CD2 4.07Å; W505-L538 HydrophobicContact CG-CD2 3.95Å; W505-L538 HydrophobicContact CH2-CB 3.99Å; W505-L538 HydrophobicContact CZ2-CB 3.35Å; W505-L538 HydrophobicContact CZ2-CD2 4.34Å; W505-L538 HydrophobicContact CZ2-CG 4.48Å; W505-Q550 HydrophobicContact CZ2-CB 4.16Å; W505-M552 HydrophobicContact CE3-CE 3.93Å; W505-M552 HydrophobicContact CH2-CB 4.04Å; W505-M552 HydrophobicContact CH2-CE 4.12Å; W505-M552 HydrophobicContact CZ3-CB 4.49Å; W505-M552 HydrophobicContact CZ3-CE 3.57Å; W505-V557 HydrophobicContact CZ2-CG1 4.18Å; W505-V557 HydrophobicContact CZ2-CG2 4.39Å
506P93.8Very high95Very high57 Ų5748 Ų4837%0.3728%0.282SS..PPolyproline II helixtrans-60.6148.7177.6-28.740000113.1L508 V557P506-L508 PolarHBondContact O-N 2.8Å; P506-V557 HydrophobicContact CG-CB 3.83Å; P506-V557 HydrophobicContact CG-CG1 4.23Å; P506-V557 HydrophobicContact CG-CG2 3.75Å
507E94.3Very high95.1Very high118 Ų11851.1 Ų51.155%0.55129%0.292SS*.PPolyproline II helixtrans-55.6133.5179.1-166.2174.3169.600111.4Q501 Q550Q501-E507 PolarHBondContact NE2-OE2 2.84Å; E507-Q550 PolarHBondContact O-NE2 2.77Å
508L94.6Very high95.2Very high5 Ų551.9 Ų51.93%0.02630%0.296CS..PPolyproline II helixtrans-79141.4171.2-62.9-178.9000109.2V497 N498 P506 L510 L538 A540 V548 Q550V497-L508 HydrophobicContact CB-CD1 4.34Å; V497-L508 WeakPolarHBondContact O-CD1 3.24Å; N498-L508 PolarHBondContact ND2-O 3.3Å; N498-L508 WeakPolarHBondContact OD1-CA 3.4Å; N498-L508 VanDerWaalsContact OD1-CB 3.23Å; N498-L508 WeakPolarHBondContact OD1-CB 3.26Å; N498-L508 PolarHBondContact OD1-N 3.08Å; N498-L508 PolarHBondContact OD1-O 3.24Å; P506-L508 PolarHBondContact O-N 2.8Å; L508-L510 HydrophobicContact CB-CB 4.44Å; L508-L510 PolarHBondContact O-N 2.79Å; L508-L538 HydrophobicContact CD1-CD2 4.04Å; L508-L538 HydrophobicContact CD2-CD2 3.9Å; L508-L538 HydrophobicContact CG-CD2 4.22Å; L508-A540 HydrophobicContact CD1-CB 3.48Å; L508-A540 VanDerWaalsContact CD1-CB 3.48Å; L508-V548 HydrophobicContact CB-CG1 4.29Å; L508-V548 HydrophobicContact CD1-CG1 4.18Å; L508-V548 HydrophobicContact CD2-CG1 3.9Å; L508-V548 HydrophobicContact CG-CG1 4.38Å; L508-Q550 VanDerWaalsContact CD2-CD 3.44Å; L508-Q550 HydrophobicContact CD2-CG 3.96Å
509P93.4Very high95.3Very high73 Ų7354 Ų5447%0.47431%0.31SS..SBendtrans-73.636.8169.734-36.9000112V548 V562P509-V548 HydrophobicContact CG-CG2 3.91Å; P509-V562 HydrophobicContact CB-CG2 3.85Å; P509-V562 HydrophobicContact CG-CG2 3.64Å; P509-V562 VanDerWaalsContact O-CG2 3.25Å; P509-V562 WeakPolarHBondContact O-CG2 3.34Å
510L91.8Very high95.4Very high3 Ų354.1 Ų54.12%0.01631%0.314CS..  trans-129149.6174.8-68.7-177.3000108.6V497 N498 L508 A540 Q546 V548 V562V497-L510 HydrophobicContact CG2-CB 3.79Å; V497-L510 WeakPolarHBondContact CG2-O 3.3Å; N498-L510 PolarHBondContact ND2-O 2.95Å; L508-L510 HydrophobicContact CB-CB 4.44Å; L508-L510 PolarHBondContact O-N 2.79Å; L510-A540 HydrophobicContact CD1-CB 4.16Å; L510-Q546 HydrophobicContact CD2-CB 3.57Å; L510-V548 HydrophobicContact CD1-CB 4.01Å; L510-V548 HydrophobicContact CD1-CG1 3.46Å; L510-V548 VanDerWaalsContact CD1-CG1 3.46Å; L510-V548 HydrophobicContact CG-CB 4.18Å; L510-V548 HydrophobicContact CG-CG1 3.79Å; L510-V562 HydrophobicContact CD2-CG1 3.71Å; L510-V562 HydrophobicContact CD2-CG2 4.04Å
511T92.8Very high95.5Very high106 Ų10655.4 Ų55.465%0.6532%0.323SS*.  trans-126.5166174.660.50000110.8N542T511-N542 PolarHBondContact O-ND2 3.1Å
512G94.9Very high95.6Very high47 Ų4752 Ų5249%0.48531%0.311SS..SBendtrans84.9-170.5179.900000113.8V497V497-G512 WeakPolarHBondContact CG2-O 3.24Å; V497-G512 PolarHBondContact N-O 3.33Å
513D96.8Very high95.8Very high66 Ų6650.2 Ų50.235%0.35330%0.304SS..EExtended strand (participates in β ladder)trans-89.1150.1179.6-58.5-36.5000110.7V495 A543V495-D513 CarbonylContact O-C 3.54Å; V495-D513 WeakPolarHBondContact O-CA 3.42Å; D513-A543 PolarHBondContact O-N 3.36Å
514G97.3Very high95.8Very high7 Ų750.7 Ų50.77%0.07231%0.311CS..EExtended strand (participates in β ladder)trans-173.6-166.7-174.500000113.7G494 V495 V541G494-G514 CarbonylContact C-O 3.54Å; G494-G514 VanDerWaalsContact CA-O 3.31Å; G494-G514 WeakPolarHBondContact CA-O 3.29Å; G494-G514 PolarHBondContact N-O 3.14Å; V495-G514 PolarHBondContact N-O 2.96Å; V495-G514 PolarHBondContact O-N 3.12Å; G514-V541 CarbonylContact C-O 3.55Å; G514-V541 WeakPolarHBondContact CA-O 3.38Å
515N98.1Very high95.8Very high86 Ų8651.2 Ų51.246%0.4630%0.296SS..EExtended strand (participates in β ladder)trans-108140.9174.3-58.2-31.3000109.1G492 R493 G494 A540 V541G492-N515 CarbonylContact O-C 3.57Å; G492-N515 WeakPolarHBondContact O-CA 3.35Å; R493-N515 WeakPolarHBondContact CA-OD1 3.4Å; G494-N515 PolarHBondContact N-OD1 3.16Å; G494-N515 VanDerWaalsContact N-OD1 3.16Å; N515-A540 CarbonylContact O-C 3.56Å; N515-A540 VanDerWaalsContact O-CA 3.3Å; N515-A540 WeakPolarHBondContact O-CA 3.5Å; N515-V541 PolarHBondContact N-O 2.95Å; N515-V541 PolarHBondContact O-N 2.92Å
516I98Very high95.5Very high0 Ų054.3 Ų54.30%033%0.327CS..EExtended strand (participates in β ladder)trans-128.5148.3175.664.7173.8000109.9L472 L490 N491 G492 V495 I499 L500 L538 H539 A540L472-I516 HydrophobicContact CD2-CD1 4.2Å; L490-I516 HydrophobicContact CD2-CD1 4.03Å; L490-I516 HydrophobicContact CD2-CG1 4.3Å; N491-I516 CarbonylContact C-O 3.49Å; N491-I516 WeakPolarHBondContact CA-O 3.47Å; G492-I516 PolarHBondContact N-O 3.03Å; G492-I516 PolarHBondContact O-N 3.45Å; V495-I516 HydrophobicContact CG2-CD1 4.09Å; V495-I516 HydrophobicContact CG2-CG1 4.02Å; I499-I516 HydrophobicContact CG2-CD1 3.97Å; L500-I516 HydrophobicContact CD1-CD1 3.85Å; L500-I516 HydrophobicContact CD2-CD1 4.39Å; L500-I516 HydrophobicContact CG-CD1 3.85Å; I516-L538 HydrophobicContact CB-CD1 4.11Å; I516-H539 CarbonylContact C-O 3.6Å; I516-H539 VanDerWaalsContact CA-O 3.31Å; I516-H539 WeakPolarHBondContact CA-O 2.98Å; I516-A540 HydrophobicContact CG2-CB 3.81Å
517Q98.3Very high95.3Very high110 Ų11060.1 Ų60.151%0.51436%0.355SS..EExtended strand (participates in β ladder)trans-138.8112.5176.8-62.3-179.4-19.600108L490 N491 L538 H539L490-Q517 CarbonylContact O-C 3.59Å; L490-Q517 WeakPolarHBondContact O-CA 3.37Å; N491-Q517 WeakPolarHBondContact OD1-CG 3.3Å; Q517-L538 CarbonylContact O-C 3.55Å; Q517-L538 WeakPolarHBondContact O-CA 3.41Å; Q517-H539 PolarHBondContact N-O 3.22Å; Q517-H539 PolarHBondContact O-N 2.69Å
518L98.3Very high95.3Very high20 Ų2056.6 Ų56.611%0.10535%0.345CS..EExtended strand (participates in β ladder)trans-110.9129.6177.6173.863.6000109.2S489 L490 L500 W505 A520 Q537 L538S489-L518 CarbonylContact C-O 3.55Å; S489-L518 WeakPolarHBondContact CA-O 3.4Å; L490-L518 HydrophobicContact CB-CB 4.19Å; L490-L518 HydrophobicContact CD2-CB 4.27Å; L490-L518 PolarHBondContact N-O 2.79Å; L490-L518 PolarHBondContact O-N 2.7Å; L500-L518 HydrophobicContact CD1-CD2 4.11Å; W505-L518 HydrophobicContact CE3-CD1 4.07Å; W505-L518 HydrophobicContact CH2-CD1 3.76Å; W505-L518 HydrophobicContact CZ3-CD1 3.47Å; W505-L518 VanDerWaalsContact CZ3-CD1 3.47Å; L518-A520 HydrophobicContact CD1-CB 4.47Å; L518-Q537 WeakPolarHBondContact CA-O 3.32Å; L518-L538 HydrophobicContact CB-CD1 3.93Å; L518-L538 HydrophobicContact CD1-CB 4.21Å
519T98.3Very high95.3Very high74 Ų7461 Ų6145%0.45438%0.375SS..EExtended strand (participates in β ladder)trans-119.6134.4160.455.10000108.5I488 G536 Q537I488-T519 CarbonylContact O-C 3.48Å; I488-T519 WeakPolarHBondContact O-CA 3.44Å; T519-G536 CarbonylContact O-C 3.57Å; T519-G536 WeakPolarHBondContact O-CA 3.5Å; T519-Q537 PolarHBondContact N-O 3.08Å; T519-Q537 PolarHBondContact O-N 3.16Å
520A97.6Very high95.4Very high19 Ų1961.8 Ų61.816%0.15737%0.374CS..EExtended strand (participates in β ladder)trans-143.8150.3178.700000110.9H487 I488 L518 S535H487-A520 CarbonylContact C-O 3.55Å; H487-A520 WeakPolarHBondContact CA-O 3.43Å; I488-A520 PolarHBondContact N-O 2.94Å; I488-A520 PolarHBondContact O-N 2.78Å; L518-A520 HydrophobicContact CD1-CB 4.47Å; A520-S535 CarbonylContact C-O 3.59Å; A520-S535 VanDerWaalsContact CA-O 3.26Å; A520-S535 WeakPolarHBondContact CA-O 3.36Å
521S98.2Very high95.5Very high37 Ų3768 Ų6826%0.25940%0.401SS..EExtended strand (participates in β ladder)trans-143.7156.4174.565.30000111.3T486 V534 S535T486-S521 CarbonylContact O-C 3.59Å; T486-S521 WeakPolarHBondContact O-CA 3.31Å; T486-S521 WeakPolarHBondContact O-CB 3.19Å; S521-V534 CarbonylContact O-C 3.57Å; S521-V534 VanDerWaalsContact O-CA 3.29Å; S521-V534 WeakPolarHBondContact O-CA 3.31Å; S521-S535 PolarHBondContact N-O 3.39Å; S521-S535 PolarHBondContact O-N 2.93Å; S521-S535 PolarHBondContact OG-OG 2.86Å; S521-S535 VanDerWaalsContact OG-OG 3.09Å
522G97.7Very high95.6Very high11 Ų1167 Ų6711%0.11340%0.396CS..EExtended strand (participates in β ladder)trans-178.6177175.900000112.8T486 T533T486-G522 PolarHBondContact N-O 2.76Å; T486-G522 PolarHBondContact O-N 2.79Å; G522-T533 WeakPolarHBondContact CA-O 3.31Å
523D97Very high95.7Very high45 Ų4567 Ų6724%0.24139%0.387CS..EExtended strand (participates in β ladder)trans-111.3117.5-178-67.5-32.8000110.5Q485 Q525 L530 T533Q485-D523 WeakPolarHBondContact CG-OD1 3.42Å; D523-Q525 VanDerWaalsContact C-N 3.28Å; D523-Q525 HydrophobicContact CB-CG 4.4Å; D523-Q525 PolarHBondContact O-N 3.19Å; D523-L530 WeakPolarHBondContact O-CD1 3.38Å; D523-T533 HydrophobicContact CB-CG2 4.04Å; D523-T533 PolarHBondContact N-OG1 2.89Å; D523-T533 PolarHBondContact O-OG1 2.82Å
524I93.7Very high95.7Very high90 Ų9065.1 Ų65.146%0.46238%0.378SS..  trans-93.958.6179.5-48.1179.9000109.9Q483 R484 T486 L530Q483-I524 PolarHBondContact O-N 3.2Å; R484-I524 HydrophobicContact CB-CB 3.94Å; R484-I524 VanDerWaalsContact CB-O 3.28Å; R484-I524 WeakPolarHBondContact CB-O 3.31Å; R484-I524 WeakPolarHBondContact CG-O 3.28Å; R484-I524 PolarHBondContact O-N 3.36Å; T486-I524 HydrophobicContact CG2-CD1 4.18Å; T486-I524 WeakPolarHBondContact OG1-CD1 3.43Å; T486-I524 WeakPolarHBondContact OG1-CG1 3.11Å; I524-L530 HydrophobicContact CG1-CD1 4.16Å
525Q92Very high95.7Very high77 Ų7766.9 Ų66.936%0.3639%0.389SS..  trans-73.2137.1180-78.2175.523.600111.7Q483 D523 N527 A528Q483-Q525 HydrophobicContact CB-CG 4.46Å; Q483-Q525 WeakPolarHBondContact O-CG 3.37Å; D523-Q525 VanDerWaalsContact C-N 3.28Å; D523-Q525 HydrophobicContact CB-CG 4.4Å; D523-Q525 PolarHBondContact O-N 3.19Å; Q525-N527 PolarHBondContact O-N 2.91Å; Q525-A528 HydrophobicContact CB-CB 3.7Å; Q525-A528 PolarHBondContact O-N 3.11Å
526A88.5Confident95.7Very high89 Ų8963.4 Ų63.474%0.73637%0.373SS*.THydrogen-bonded Turntrans-60.8136.8173.600000110.7A528A526-A528 PolarHBondContact O-N 2.94Å; A526-A528 VanDerWaalsContact O-N 3.13Å
527N89.6Confident95.7Very high180 Ų18067.8 Ų67.896%0.96339%0.394SS*.THydrogen-bonded Turntrans57.719.9179.2-53.4-41.1000115.1Q525Q525-N527 PolarHBondContact O-N 2.91Å
528A94.1Very high95.6Very high43 Ų4362.6 Ų62.636%0.35537%0.37SS..SBendtrans-117.3143.1174.500000110.3Q525 A526 L530Q525-A528 HydrophobicContact CB-CB 3.7Å; Q525-A528 PolarHBondContact O-N 3.11Å; A526-A528 PolarHBondContact O-N 2.94Å; A526-A528 VanDerWaalsContact O-N 3.13Å; A528-L530 PolarHBondContact O-N 2.95Å
529P95.1Very high95.6Very high99 Ų9964 Ų6464%0.64338%0.376SS*.  trans-62.2129.3174-21.933.3000111.4P532P529-P532 HydrophobicContact CB-CG 4.3Å; P529-P532 WeakPolarHBondContact O-CD 3.43Å
530L94.5Very high95.6Very high89 Ų8960.5 Ų60.547%0.46635%0.354SS..SBendtrans-67.4-48177.2178.161.9000111.6D523 I524 A528 P532 T533 V534D523-L530 WeakPolarHBondContact O-CD1 3.38Å; I524-L530 HydrophobicContact CG1-CD1 4.16Å; A528-L530 PolarHBondContact O-N 2.95Å; L530-P532 VanDerWaalsContact C-CD 3.45Å; L530-P532 VanDerWaalsContact O-N 3.14Å; L530-T533 WeakPolarHBondContact O-CB 3.47Å; L530-T533 PolarHBondContact O-N 2.88Å; L530-T533 PolarHBondContact O-OG1 2.74Å; L530-V534 HydrophobicContact CD1-CG2 3.9Å; L530-V534 HydrophobicContact CD2-CG2 4.5Å; L530-V534 HydrophobicContact CG-CG2 3.74Å; L530-V534 WeakPolarHBondContact O-CG2 3.46Å
531K94.1Very high95.5Very high134 Ų13461.7 Ų61.758%0.58336%0.359SS*.G310 helixtrans-45.8-48.7-168.3-172.6-179.6179.9175.70114.6T533 V534 A554 G555K531-T533 PolarHBondContact O-N 3.32Å; K531-T533 VanDerWaalsContact O-N 3.16Å; K531-V534 PolarHBondContact O-N 2.88Å; K531-A554 CarbonylContact O-C 3.51Å; K531-G555 WeakPolarHBondContact CE-O 3.47Å; K531-G555 WeakPolarHBondContact O-CA 3.29Å; K531-G555 PolarHBondContact O-N 3.18Å; K531-G555 VanDerWaalsContact O-N 3.11Å
532P95.9Very high95.4Very high84 Ų8460.4 Ų60.455%0.54535%0.35SS..G310 helixtrans-64.6-19.8-177.7-21.335000114.7P529 L530 A554P529-P532 HydrophobicContact CB-CG 4.3Å; P529-P532 WeakPolarHBondContact O-CD 3.43Å; L530-P532 VanDerWaalsContact C-CD 3.45Å; L530-P532 VanDerWaalsContact O-N 3.14Å; P532-A554 WeakPolarHBondContact O-CA 3.23Å; P532-A554 WeakPolarHBondContact O-CB 3.34Å
533T96.9Very high95.2Very high46 Ų4664.3 Ų64.328%0.28238%0.38SS..G310 helixtrans-90.7-14.4-176.874.60000112.6G522 D523 L530 K531G522-T533 WeakPolarHBondContact CA-O 3.31Å; D523-T533 HydrophobicContact CB-CG2 4.04Å; D523-T533 PolarHBondContact N-OG1 2.89Å; D523-T533 PolarHBondContact O-OG1 2.82Å; L530-T533 WeakPolarHBondContact O-CB 3.47Å; L530-T533 PolarHBondContact O-N 2.88Å; L530-T533 PolarHBondContact O-OG1 2.74Å; K531-T533 PolarHBondContact O-N 3.32Å; K531-T533 VanDerWaalsContact O-N 3.16Å
534V96.8Very high95Very high27 Ų2764.7 Ų64.716%0.16439%0.39CS..  trans-84.3127.6-170.7-169.20000111.3S521 L530 K531 M552 A554 G555S521-V534 CarbonylContact O-C 3.57Å; S521-V534 VanDerWaalsContact O-CA 3.29Å; S521-V534 WeakPolarHBondContact O-CA 3.31Å; L530-V534 HydrophobicContact CD1-CG2 3.9Å; L530-V534 HydrophobicContact CD2-CG2 4.5Å; L530-V534 HydrophobicContact CG-CG2 3.74Å; L530-V534 WeakPolarHBondContact O-CG2 3.46Å; K531-V534 PolarHBondContact O-N 2.88Å; V534-M552 HydrophobicContact CB-SD 4.13Å; V534-M552 HydrophobicContact CG1-SD 3.52Å; V534-M552 VanDerWaalsContact CG1-SD 3.52Å; V534-A554 CarbonylContact O-C 3.59Å; V534-A554 VanDerWaalsContact O-CA 3.29Å; V534-A554 WeakPolarHBondContact O-CA 3.42Å; V534-A554 PolarHBondContact O-N 2.94Å; V534-G555 PolarHBondContact O-N 3.13Å
535S97.6Very high95Very high45 Ų4565.9 Ų65.932%0.31539%0.392SS..EExtended strand (participates in β ladder)trans-129.5154.1169.363.70000110.3A520 S521 M552A520-S535 CarbonylContact C-O 3.59Å; A520-S535 VanDerWaalsContact CA-O 3.26Å; A520-S535 WeakPolarHBondContact CA-O 3.36Å; S521-S535 PolarHBondContact N-O 3.39Å; S521-S535 PolarHBondContact O-N 2.93Å; S521-S535 PolarHBondContact OG-OG 2.86Å; S521-S535 VanDerWaalsContact OG-OG 3.09Å; S535-M552 CarbonylContact C-O 3Å; S535-M552 VanDerWaalsContact CA-O 3.24Å; S535-M552 WeakPolarHBondContact CA-O 3.39Å
536G97Very high95.1Very high12 Ų1265.6 Ų65.612%0.12439%0.391CS..EExtended strand (participates in β ladder)trans-179.9174.5178.800000114T519 T551 M552T519-G536 CarbonylContact O-C 3.57Å; T519-G536 WeakPolarHBondContact O-CA 3.5Å; G536-T551 CarbonylContact O-C 3.48Å; G536-T551 WeakPolarHBondContact O-CA 3.46Å; G536-M552 PolarHBondContact N-O 3.49Å; G536-M552 PolarHBondContact O-N 3.46Å
537Q97.6Very high95.5Very high92 Ų9264.2 Ų64.243%0.4337%0.369SS..EExtended strand (participates in β ladder)trans-143.4128.7177.9-177.4174.873.600109.4L518 T519 T549 Q550L518-Q537 WeakPolarHBondContact CA-O 3.32Å; T519-Q537 PolarHBondContact N-O 3.08Å; T519-Q537 PolarHBondContact O-N 3.16Å; Q537-T549 HydrophobicContact CG-CG2 3.55Å; Q537-Q550 CarbonylContact C-O 3.56Å; Q537-Q550 WeakPolarHBondContact CA-O 3.02Å
538L97.7Very high95.8Very high2 Ų255.7 Ų55.71%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-109.3119.1171178.864.2000108.8L500 W505 L508 I516 Q517 L518 T549 Q550L500-L538 HydrophobicContact CD1-CD1 3.95Å; L500-L538 HydrophobicContact CD1-CD2 4.22Å; W505-L538 HydrophobicContact CD2-CB 4.41Å; W505-L538 HydrophobicContact CD2-CD2 4.07Å; W505-L538 HydrophobicContact CG-CD2 3.95Å; W505-L538 HydrophobicContact CH2-CB 3.99Å; W505-L538 HydrophobicContact CZ2-CB 3.35Å; W505-L538 HydrophobicContact CZ2-CD2 4.34Å; W505-L538 HydrophobicContact CZ2-CG 4.48Å; L508-L538 HydrophobicContact CD1-CD2 4.04Å; L508-L538 HydrophobicContact CD2-CD2 3.9Å; L508-L538 HydrophobicContact CG-CD2 4.22Å; I516-L538 HydrophobicContact CB-CD1 4.11Å; Q517-L538 CarbonylContact O-C 3.55Å; Q517-L538 WeakPolarHBondContact O-CA 3.41Å; L518-L538 HydrophobicContact CB-CD1 3.93Å; L518-L538 HydrophobicContact CD1-CB 4.21Å; L538-T549 CarbonylContact O-C 3.55Å; L538-T549 VanDerWaalsContact O-CA 3.32Å; L538-T549 WeakPolarHBondContact O-CA 3.48Å; L538-Q550 PolarHBondContact N-O 2.81Å; L538-Q550 PolarHBondContact O-N 2.88Å
539H97.5Very high95.9Very high49 Ų4956.1 Ų56.123%0.22732%0.322CS..EExtended strand (participates in β ladder)trans-106.8136.2169-179.662.1000109.4I516 Q517 V541 V548 T549I516-H539 CarbonylContact C-O 3.6Å; I516-H539 VanDerWaalsContact CA-O 3.31Å; I516-H539 WeakPolarHBondContact CA-O 2.98Å; Q517-H539 PolarHBondContact N-O 3.22Å; Q517-H539 PolarHBondContact O-N 2.69Å; H539-V541 WeakPolarHBondContact NE2-CG2 3.1Å; H539-V548 WeakPolarHBondContact CA-O 3.25Å; H539-V548 PolarHBondContact ND1-O 2.93Å; H539-T549 PolarHBondContact ND1-OG1 3.17Å
540A97.6Very high96Very high0 Ų051.8 Ų51.80%029%0.293CS..EExtended strand (participates in β ladder)trans-137.4145.1178.500000111.3L508 L510 N515 I516 Q547 V548L508-A540 HydrophobicContact CD1-CB 3.48Å; L508-A540 VanDerWaalsContact CD1-CB 3.48Å; L510-A540 HydrophobicContact CD1-CB 4.16Å; N515-A540 CarbonylContact O-C 3.56Å; N515-A540 VanDerWaalsContact O-CA 3.3Å; N515-A540 WeakPolarHBondContact O-CA 3.5Å; I516-A540 HydrophobicContact CG2-CB 3.81Å; A540-Q547 CarbonylContact O-C 3.54Å; A540-Q547 WeakPolarHBondContact O-CA 3.48Å; A540-V548 HydrophobicContact CB-CG1 4.13Å; A540-V548 PolarHBondContact N-O 3.46Å; A540-V548 PolarHBondContact O-N 3.45Å
541V97.3Very high96.1Very high44 Ų4449.6 Ų49.627%0.26728%0.283SS..EExtended strand (participates in β ladder)trans-134.3120.3174-173.50000108.5G514 N515 H539 Q546 Q547G514-V541 CarbonylContact C-O 3.55Å; G514-V541 WeakPolarHBondContact CA-O 3.38Å; N515-V541 PolarHBondContact N-O 2.95Å; N515-V541 PolarHBondContact O-N 2.92Å; H539-V541 WeakPolarHBondContact NE2-CG2 3.1Å; V541-Q546 CarbonylContact C-O 3.56Å; V541-Q546 VanDerWaalsContact CA-O 3.32Å; V541-Q546 WeakPolarHBondContact CA-O 3.3Å; V541-Q547 HydrophobicContact CG2-CB 3.9Å
542N95.6Very high96.2Very high11 Ų1144.4 Ų44.46%0.05926%0.261CS..EExtended strand (participates in β ladder)trans-86.1173.2177.574.22.1000112.5V497 T511 A544 K545 Q546V497-N542 HydrophobicContact CG1-CB 4.13Å; T511-N542 PolarHBondContact O-ND2 3.1Å; N542-A544 PolarHBondContact O-N 3.02Å; N542-A544 VanDerWaalsContact O-N 3.17Å; N542-A544 WeakPolarHBondContact OD1-CA 3.14Å; N542-A544 PolarHBondContact OD1-N 2.95Å; N542-A544 VanDerWaalsContact OD1-N 3.13Å; N542-K545 PolarHBondContact O-N 2.96Å; N542-K545 PolarHBondContact OD1-N 3.23Å; N542-Q546 PolarHBondContact N-O 2.84Å; N542-Q546 PolarHBondContact ND2-OE1 2.92Å; N542-Q546 WeakPolarHBondContact OD1-CB 3.32Å; N542-Q546 PolarHBondContact OD1-N 3.25Å; N542-Q546 PolarHBondContact OD1-O 2.95Å
543A92.4Very high96.2Very high92 Ų9245.4 Ų45.476%0.7626%0.262SS*.THydrogen-bonded Turntrans-58.5-2617800000114.1D513 K545D513-A543 PolarHBondContact O-N 3.36Å; A543-K545 PolarHBondContact O-N 2.84Å
544A93.3Very high96.1Very high54 Ų5445.6 Ų45.645%0.44627%0.268SS..THydrogen-bonded Turntrans-81.39.5174.600000113.3N542 Q546N542-A544 PolarHBondContact O-N 3.02Å; N542-A544 VanDerWaalsContact O-N 3.17Å; N542-A544 WeakPolarHBondContact OD1-CA 3.14Å; N542-A544 PolarHBondContact OD1-N 2.95Å; N542-A544 VanDerWaalsContact OD1-N 3.13Å; A544-Q546 HydrophobicContact CB-CG 4.23Å; A544-Q546 PolarHBondContact O-N 3.35Å; A544-Q546 VanDerWaalsContact O-N 3.12Å
545K93.1Very high95.9Very high114 Ų11445.1 Ų45.150%0.49627%0.269SS..  trans57.223.2-177.4-53.8180-179.9170.90114.1N542 A543 T565N542-K545 PolarHBondContact O-N 2.96Å; N542-K545 PolarHBondContact OD1-N 3.23Å; A543-K545 PolarHBondContact O-N 2.84Å; K545-T565 PolarHBondContact O-N 2.91Å; K545-T565 PolarHBondContact O-OG1 3.34Å
546Q95.6Very high95.7Very high71 Ų7148.6 Ų48.633%0.33228%0.283SS..EExtended strand (participates in β ladder)trans-80.8138.4165.7-56.2172.8-58.900107.9L510 V541 N542 A544 V562 T563L510-Q546 HydrophobicContact CD2-CB 3.57Å; V541-Q546 CarbonylContact C-O 3.56Å; V541-Q546 VanDerWaalsContact CA-O 3.32Å; V541-Q546 WeakPolarHBondContact CA-O 3.3Å; N542-Q546 PolarHBondContact N-O 2.84Å; N542-Q546 PolarHBondContact ND2-OE1 2.92Å; N542-Q546 WeakPolarHBondContact OD1-CB 3.32Å; N542-Q546 PolarHBondContact OD1-N 3.25Å; N542-Q546 PolarHBondContact OD1-O 2.95Å; A544-Q546 HydrophobicContact CB-CG 4.23Å; A544-Q546 PolarHBondContact O-N 3.35Å; A544-Q546 VanDerWaalsContact O-N 3.12Å; Q546-V562 HydrophobicContact CB-CG1 3.99Å; Q546-T563 CarbonylContact C-O 3.58Å; Q546-T563 WeakPolarHBondContact CA-O 3.25Å
547Q95.7Very high95.6Very high60 Ų6049.6 Ų49.628%0.2829%0.287SS..EExtended strand (participates in β ladder)trans-130.1148.6-176.269.2-173.8-4.200111.1A540 V541 V562 T563A540-Q547 CarbonylContact O-C 3.54Å; A540-Q547 WeakPolarHBondContact O-CA 3.48Å; V541-Q547 HydrophobicContact CG2-CB 3.9Å; Q547-V562 WeakPolarHBondContact O-CA 3.36Å; Q547-T563 WeakPolarHBondContact CG-OG1 3.35Å; Q547-T563 PolarHBondContact N-O 2.97Å; Q547-T563 PolarHBondContact NE2-OG1 2.79Å; Q547-T563 PolarHBondContact O-N 2.91Å
548V96Very high95.2Very high1 Ų148.2 Ų48.21%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-142.8146.5175.570.60000109.5L508 P509 L510 H539 A540 G560L508-V548 HydrophobicContact CB-CG1 4.29Å; L508-V548 HydrophobicContact CD1-CG1 4.18Å; L508-V548 HydrophobicContact CD2-CG1 3.9Å; L508-V548 HydrophobicContact CG-CG1 4.38Å; P509-V548 HydrophobicContact CG-CG2 3.91Å; L510-V548 HydrophobicContact CD1-CB 4.01Å; L510-V548 HydrophobicContact CD1-CG1 3.46Å; L510-V548 VanDerWaalsContact CD1-CG1 3.46Å; L510-V548 HydrophobicContact CG-CB 4.18Å; L510-V548 HydrophobicContact CG-CG1 3.79Å; H539-V548 WeakPolarHBondContact CA-O 3.25Å; H539-V548 PolarHBondContact ND1-O 2.93Å; A540-V548 HydrophobicContact CB-CG1 4.13Å; A540-V548 PolarHBondContact N-O 3.46Å; A540-V548 PolarHBondContact O-N 3.45Å; V548-G560 WeakPolarHBondContact CG2-O 3.13Å
549T96.3Very high94.5Very high53 Ų5353.6 Ų53.633%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-127121171.2-58.80000109.4Q537 L538 H539 G560Q537-T549 HydrophobicContact CG-CG2 3.55Å; L538-T549 CarbonylContact O-C 3.55Å; L538-T549 VanDerWaalsContact O-CA 3.32Å; L538-T549 WeakPolarHBondContact O-CA 3.48Å; H539-T549 PolarHBondContact ND1-OG1 3.17Å; T549-G560 WeakPolarHBondContact O-CA 3.48Å
550Q96.4Very high93.6Very high8 Ų851.9 Ų51.94%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-106.4139.4171.6-74.7-175.1-10.500109.6W505 E507 L508 Q537 L538 V557W505-Q550 HydrophobicContact CZ2-CB 4.16Å; E507-Q550 PolarHBondContact O-NE2 2.77Å; L508-Q550 VanDerWaalsContact CD2-CD 3.44Å; L508-Q550 HydrophobicContact CD2-CG 3.96Å; Q537-Q550 CarbonylContact C-O 3.56Å; Q537-Q550 WeakPolarHBondContact CA-O 3.02Å; L538-Q550 PolarHBondContact N-O 2.81Å; L538-Q550 PolarHBondContact O-N 2.88Å; Q550-V557 HydrophobicContact CB-CG1 3.75Å; Q550-V557 HydrophobicContact CG-CG1 4.22Å
551T96.8Very high92.9Very high42 Ų4260 Ų6026%0.25836%0.358SS..EExtended strand (participates in β ladder)trans-117.9131.8179.2-56.20000109.4G536 V557 S558G536-T551 CarbonylContact O-C 3.48Å; G536-T551 WeakPolarHBondContact O-CA 3.46Å; T551-V557 CarbonylContact O-C 3.56Å; T551-V557 WeakPolarHBondContact O-CA 3.41Å; T551-S558 PolarHBondContact O-N 3.35Å; T551-S558 PolarHBondContact O-OG 3.03Å
552M96.5Very high92.4Very high25 Ų2560.4 Ų60.412%0.12336%0.361CS..EExtended strand (participates in β ladder)trans-100.9127.2173.7-174.5-177.3-72.400110W505 V534 S535 G536 I556 V557W505-M552 HydrophobicContact CE3-CE 3.93Å; W505-M552 HydrophobicContact CH2-CB 4.04Å; W505-M552 HydrophobicContact CH2-CE 4.12Å; W505-M552 HydrophobicContact CZ3-CB 4.49Å; W505-M552 HydrophobicContact CZ3-CE 3.57Å; V534-M552 HydrophobicContact CB-SD 4.13Å; V534-M552 HydrophobicContact CG1-SD 3.52Å; V534-M552 VanDerWaalsContact CG1-SD 3.52Å; S535-M552 CarbonylContact C-O 3Å; S535-M552 VanDerWaalsContact CA-O 3.24Å; S535-M552 WeakPolarHBondContact CA-O 3.39Å; G536-M552 PolarHBondContact N-O 3.49Å; G536-M552 PolarHBondContact O-N 3.46Å; M552-I556 CarbonylContact C-O 3.57Å; M552-I556 VanDerWaalsContact CA-O 3.31Å; M552-I556 WeakPolarHBondContact CA-O 3.16Å; M552-V557 HydrophobicContact CB-CG2 4.04Å; M552-V557 HydrophobicContact CE-CG2 3.54Å; M552-V557 HydrophobicContact CG-CG2 4.09Å
553N96.3Very high92Very high105 Ų10563 Ų6356%0.56138%0.377SS*.EExtended strand (participates in β ladder)trans-129.2126.1171-70.2-37.7000109.3G555 I556N553-G555 PolarHBondContact O-N 3.28Å; N553-I556 PolarHBondContact N-O 3.32Å; N553-I556 PolarHBondContact O-N 2.87Å
554A94.7Very high91.5Very high50 Ų5061.7 Ų61.741%0.41336%0.363SS..THydrogen-bonded Turntrans49.340.4-176.800000113K531 P532 V534 I556K531-A554 CarbonylContact O-C 3.51Å; P532-A554 WeakPolarHBondContact O-CA 3.23Å; P532-A554 WeakPolarHBondContact O-CB 3.34Å; V534-A554 CarbonylContact O-C 3.59Å; V534-A554 VanDerWaalsContact O-CA 3.29Å; V534-A554 WeakPolarHBondContact O-CA 3.42Å; V534-A554 PolarHBondContact O-N 2.94Å; A554-I556 VanDerWaalsContact C-N 3.26Å; A554-I556 PolarHBondContact O-N 3.12Å
555G92.9Very high90.3Very high18 Ų1863.4 Ų63.419%0.18637%0.368CS..THydrogen-bonded Turntrans71.911.7-179.600000115.4K531 V534 N553K531-G555 WeakPolarHBondContact CE-O 3.47Å; K531-G555 WeakPolarHBondContact O-CA 3.29Å; K531-G555 PolarHBondContact O-N 3.18Å; K531-G555 VanDerWaalsContact O-N 3.11Å; V534-G555 PolarHBondContact O-N 3.13Å; N553-G555 PolarHBondContact O-N 3.28Å
556I94.5Very high88.9Confident118 Ų11863.9 Ų63.961%0.60537%0.371SS*.EExtended strand (participates in β ladder)trans-109.7125.7174-56.5176.4000108.7M552 N553 A554M552-I556 CarbonylContact C-O 3.57Å; M552-I556 VanDerWaalsContact CA-O 3.31Å; M552-I556 WeakPolarHBondContact CA-O 3.16Å; N553-I556 PolarHBondContact N-O 3.32Å; N553-I556 PolarHBondContact O-N 2.87Å; A554-I556 VanDerWaalsContact C-N 3.26Å; A554-I556 PolarHBondContact O-N 3.12Å
557V93.9Very high86.7Confident33 Ų3366 Ų6620%0.239%0.392CS..EExtended strand (participates in β ladder)trans-96.3127.5-179.5-1760000110.2W505 P506 Q550 T551 M552W505-V557 HydrophobicContact CZ2-CG1 4.18Å; W505-V557 HydrophobicContact CZ2-CG2 4.39Å; P506-V557 HydrophobicContact CG-CB 3.83Å; P506-V557 HydrophobicContact CG-CG1 4.23Å; P506-V557 HydrophobicContact CG-CG2 3.75Å; Q550-V557 HydrophobicContact CB-CG1 3.75Å; Q550-V557 HydrophobicContact CG-CG1 4.22Å; T551-V557 CarbonylContact O-C 3.56Å; T551-V557 WeakPolarHBondContact O-CA 3.41Å; M552-V557 HydrophobicContact CB-CG2 4.04Å; M552-V557 HydrophobicContact CE-CG2 3.54Å; M552-V557 HydrophobicContact CG-CG2 4.09Å
558S89.8Confident84.4Confident63 Ų6370.2 Ų70.244%0.44142%0.421SS..EExtended strand (participates in β ladder)trans-81.8136.217064.40000110.5T551 G560T551-S558 PolarHBondContact O-N 3.35Å; T551-S558 PolarHBondContact O-OG 3.03Å; S558-G560 PolarHBondContact O-N 3.22Å
559S81.8Confident81.8Confident114 Ų11484.9 Ų84.980%0.79748%0.476SS*.PPolyproline II helixtrans-59.1128.117355.90000110.8
560G78.7Confident81.1Confident13 Ų1386.5 Ų86.513%0.13448%0.484CS..PPolyproline II helixtrans-86.5143.6171.300000111.6V548 T549 S558V548-G560 WeakPolarHBondContact CG2-O 3.13Å; T549-G560 WeakPolarHBondContact O-CA 3.48Å; S558-G560 PolarHBondContact O-N 3.22Å
561E83.8Confident80.3Confident170 Ų17090.6 Ų90.679%0.79451%0.507SS*.PPolyproline II helixtrans-81.9136171.7-166.9172-170.800110.2
562V86.8Confident79.4Confident54 Ų5493.3 Ų93.333%0.32752%0.521SS..PPolyproline II helixtrans-78.1125.1177.2179.30000108.8P509 L510 Q546 Q547P509-V562 HydrophobicContact CB-CG2 3.85Å; P509-V562 HydrophobicContact CG-CG2 3.64Å; P509-V562 VanDerWaalsContact O-CG2 3.25Å; P509-V562 WeakPolarHBondContact O-CG2 3.34Å; L510-V562 HydrophobicContact CD2-CG1 3.71Å; L510-V562 HydrophobicContact CD2-CG2 4.04Å; Q546-V562 HydrophobicContact CB-CG1 3.99Å; Q547-V562 WeakPolarHBondContact O-CA 3.36Å
563T87.1Confident78.3Confident65 Ų6597.3 Ų97.340%0.39955%0.545SS..EExtended strand (participates in β ladder)trans-117.9150.4172.5560000109.6Q546 Q547Q546-T563 CarbonylContact C-O 3.58Å; Q546-T563 WeakPolarHBondContact CA-O 3.25Å; Q547-T563 WeakPolarHBondContact CG-OG1 3.35Å; Q547-T563 PolarHBondContact N-O 2.97Å; Q547-T563 PolarHBondContact NE2-OG1 2.79Å; Q547-T563 PolarHBondContact O-N 2.91Å
564S82.6Confident77.2Confident65 Ų6596.8 Ų96.846%0.45554%0.544SS..EExtended strand (participates in β ladder)trans-118.5145.4175.2-178.60000109.6E566S564-E566 PolarHBondContact OG-N 3.33Å
565T67.4Low76.1Confident90 Ų9099.9 Ų99.955%0.55255%0.552SS**  trans-96.4-2174.850.80000113.4K545K545-T565 PolarHBondContact O-N 2.91Å; K545-T565 PolarHBondContact O-OG1 3.34Å
566E63.8Low74.9Confident123 Ų123105.8 Ų105.858%0.57558%0.578SS**SBendtrans-83.6128.7172.1-109.5173.7-17500110.9S564 V568S564-E566 PolarHBondContact OG-N 3.33Å; E566-V568 PolarHBondContact O-N 3.29Å
567P49.9Very low73.3Confident117 Ų117104.8 Ų104.876%0.7658%0.576SS**PPolyproline II helixtrans-61.6130.9174.523.7-29.7000109.2R569P567-R569 PolarHBondContact O-N 3.07Å; P567-R569 VanDerWaalsContact O-N 3.07Å
568V46.4Very low71.6Confident148 Ų148110.8 Ų110.890%0.89761%0.608SS**PPolyproline II helixtrans-52.1118.5168.2-178.40000106.9E566E566-V568 PolarHBondContact O-N 3.29Å
569R41.7Very low70Confident308 Ų308115.2 Ų115.2100%1.16262%0.623SS**  trans-740-176.2-145.9-174.3-159.8-171.66.3111.9P567P567-R569 PolarHBondContact O-N 3.07Å; P567-R569 VanDerWaalsContact O-N 3.07Å

Retrieved 569 of 569 residues in 165.7 ms (Link to these results)

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