A0A087XGQ5_POEFO Loading...

Si:dkey-220f10.4

AlphaFold DB , UniProt , Accession A0A087XGQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 446 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
1M52.3Low71.5Confident207 Ų207129.7 Ų129.7100%1.0261%0.614SS**  0-25.10-164.9173.1-76.500110.3D3 Q4M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 3.32Å; M1-Q4 PolarHBondContact O-N 3.12Å
2E54.7Low72.7Confident141 Ų141124.5 Ų124.566%0.65959%0.592SS**Hα-helixtrans-56.4-31.3-173.6-59.498.8142.200115.8Q4 D5 I6E2-Q4 PolarHBondContact O-N 3.07Å; E2-Q4 VanDerWaalsContact O-N 3.17Å; E2-D5 PolarHBondContact O-N 2.78Å; E2-I6 HydrophobicContact CB-CD1 4.47Å; E2-I6 WeakPolarHBondContact O-CG1 3.37Å; E2-I6 PolarHBondContact O-N 3.16Å
3D57.4Low73.8Confident137 Ų137122.4 Ų122.473%0.73359%0.587SS**Hα-helixtrans-57.7-32.4-177.5-81.4-52.3000114.3M1 R7M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 3.32Å; D3-R7 VanDerWaalsContact O-CB 3.32Å; D3-R7 WeakPolarHBondContact O-CB 3.29Å; D3-R7 PolarHBondContact O-N 3.29Å; D3-R7 VanDerWaalsContact O-N 3.1Å
4Q59.2Low74.4Confident159 Ų159123 Ų12374%0.74359%0.589SS**Hα-helixtrans-71.2-37.4176.8-72.6-171.1-12.300111.7M1 E2 R7 Q8M1-Q4 PolarHBondContact O-N 3.12Å; E2-Q4 PolarHBondContact O-N 3.07Å; E2-Q4 VanDerWaalsContact O-N 3.17Å; Q4-R7 PolarHBondContact O-N 2.9Å; Q4-Q8 PolarHBondContact O-N 3.41Å
5D73.9Confident75.1Confident114 Ų114124.5 Ų124.561%0.6159%0.586SS**Hα-helixtrans-71.2-44.9179.5-168.739.5000111.1E2 R7 Q8 Q9E2-D5 PolarHBondContact O-N 2.78Å; D5-R7 PolarHBondContact O-N 2.79Å; D5-Q8 PolarHBondContact O-N 2.93Å; D5-Q9 WeakPolarHBondContact O-CB 3.41Å; D5-Q9 PolarHBondContact O-N 2.9Å
6I77.4Confident75.7Confident74 Ų74120.1 Ų120.138%0.37958%0.577SS.*Hα-helixtrans-58-37.1172.2-63.9169.8000111.1E2 K10E2-I6 HydrophobicContact CB-CD1 4.47Å; E2-I6 WeakPolarHBondContact O-CG1 3.37Å; E2-I6 PolarHBondContact O-N 3.16Å; I6-K10 HydrophobicContact CG2-CD 4.2Å; I6-K10 WeakPolarHBondContact O-CB 3.42Å; I6-K10 WeakPolarHBondContact O-CD 3.48Å; I6-K10 VanDerWaalsContact O-CG 3.24Å; I6-K10 WeakPolarHBondContact O-CG 3.43Å; I6-K10 PolarHBondContact O-N 3.25Å; I6-K10 VanDerWaalsContact O-N 3.15Å
7R75.8Confident76.2Confident185 Ų185119.5 Ų119.570%0.69858%0.577SS**Hα-helixtrans-69.1-42175.3-176.6177.9179.6-178.9-0.3111.9D3 Q4 D5 K10 L11D3-R7 VanDerWaalsContact O-CB 3.32Å; D3-R7 WeakPolarHBondContact O-CB 3.29Å; D3-R7 PolarHBondContact O-N 3.29Å; D3-R7 VanDerWaalsContact O-N 3.1Å; Q4-R7 PolarHBondContact O-N 2.9Å; D5-R7 PolarHBondContact O-N 2.79Å; R7-K10 PolarHBondContact O-N 2.96Å; R7-L11 WeakPolarHBondContact O-CG 3.34Å; R7-L11 PolarHBondContact O-N 2.95Å; R7-L11 VanDerWaalsContact O-N 3.11Å
8Q81.9Confident76.3Confident79 Ų79119 Ų11937%0.36958%0.577SS.*Hα-helixtrans-66.8-46.3178.7-171.154.242.500111.1Q4 D5 K10 L11 D12Q4-Q8 PolarHBondContact O-N 3.41Å; D5-Q8 PolarHBondContact O-N 2.93Å; Q8-K10 VanDerWaalsContact C-N 3.27Å; Q8-K10 PolarHBondContact O-N 3.37Å; Q8-L11 WeakPolarHBondContact O-CA 3.38Å; Q8-L11 WeakPolarHBondContact O-CB 3.44Å; Q8-L11 PolarHBondContact O-N 3.13Å; Q8-D12 PolarHBondContact NE2-OD2 3.45Å; Q8-D12 PolarHBondContact O-N 2.73Å
9Q85Confident76.2Confident118 Ų118118.8 Ų118.855%0.55158%0.577SS**Hα-helixtrans-58.3-35.8175-166-171.470.700112.5D5 N13D5-Q9 WeakPolarHBondContact O-CB 3.41Å; D5-Q9 PolarHBondContact O-N 2.9Å; Q9-N13 VanDerWaalsContact O-CB 3.31Å; Q9-N13 WeakPolarHBondContact O-CB 3.36Å; Q9-N13 PolarHBondContact O-N 2.97Å; Q9-N13 PolarHBondContact O-ND2 3.08Å
10K83.6Confident76.1Confident142 Ų142120.5 Ų120.562%0.61758%0.581SS**Hα-helixtrans-67.8-39.3172.5-76.7168-176.6170.50112.7I6 R7 Q8 Q14I6-K10 HydrophobicContact CG2-CD 4.2Å; I6-K10 WeakPolarHBondContact O-CB 3.42Å; I6-K10 WeakPolarHBondContact O-CD 3.48Å; I6-K10 VanDerWaalsContact O-CG 3.24Å; I6-K10 WeakPolarHBondContact O-CG 3.43Å; I6-K10 PolarHBondContact O-N 3.25Å; I6-K10 VanDerWaalsContact O-N 3.15Å; R7-K10 PolarHBondContact O-N 2.96Å; Q8-K10 VanDerWaalsContact C-N 3.27Å; Q8-K10 PolarHBondContact O-N 3.37Å; K10-Q14 WeakPolarHBondContact O-CB 3.33Å; K10-Q14 PolarHBondContact O-N 2.89Å
11L85.3Confident75.9Confident71 Ų71122.1 Ų122.137%0.37259%0.585SS.*Hα-helixtrans-67-42175.6-71.8170.1000111.9R7 Q8 Q14 R15R7-L11 WeakPolarHBondContact O-CG 3.34Å; R7-L11 PolarHBondContact O-N 2.95Å; R7-L11 VanDerWaalsContact O-N 3.11Å; Q8-L11 WeakPolarHBondContact O-CA 3.38Å; Q8-L11 WeakPolarHBondContact O-CB 3.44Å; Q8-L11 PolarHBondContact O-N 3.13Å; L11-Q14 WeakPolarHBondContact O-CB 3.43Å; L11-Q14 PolarHBondContact O-N 3.01Å; L11-R15 VanDerWaalsContact O-CG 3.32Å; L11-R15 WeakPolarHBondContact O-CG 3.2Å; L11-R15 PolarHBondContact O-N 2.89Å
12D85.7Confident76.1Confident67 Ų67116.3 Ų116.336%0.35856%0.556SS.*Hα-helixtrans-75.1-33.2179.9-69.2-42.2000112.8Q8 Q14 R15 A16Q8-D12 PolarHBondContact NE2-OD2 3.45Å; Q8-D12 PolarHBondContact O-N 2.73Å; D12-Q14 VanDerWaalsContact C-N 3.32Å; D12-Q14 PolarHBondContact O-N 3.47Å; D12-R15 PolarHBondContact O-N 2.91Å; D12-R15 WeakPolarHBondContact OD1-CD 3.45Å; D12-R15 IonicContact OD1-CZ 3.63Å; D12-R15 IonicContact OD1-NE 3.25Å; D12-R15 IonicContact OD1-NH1 3.12Å; D12-R15 PolarHBondContact OD1-NH1 3.44Å; D12-A16 VanDerWaalsContact O-CB 3.28Å; D12-A16 WeakPolarHBondContact O-CB 3.34Å; D12-A16 PolarHBondContact O-N 2.86Å
13N86.9Confident76.3Confident97 Ų97115.5 Ų115.552%0.51955%0.552SS.*Hα-helixtrans-60.7-40.3165.1-87-51.7000112.1Q9 A16 L17Q9-N13 VanDerWaalsContact O-CB 3.31Å; Q9-N13 WeakPolarHBondContact O-CB 3.36Å; Q9-N13 PolarHBondContact O-N 2.97Å; Q9-N13 PolarHBondContact O-ND2 3.08Å; N13-A16 PolarHBondContact O-N 3.28Å; N13-L17 WeakPolarHBondContact O-CB 3.42Å; N13-L17 PolarHBondContact O-N 2.83Å
14Q81.9Confident76.2Confident131 Ų131115 Ų11561%0.61254%0.543SS*.Hα-helixtrans-66.2-42.3175.9-170.9179.692.500111.6K10 L11 D12 L17 L18K10-Q14 WeakPolarHBondContact O-CB 3.33Å; K10-Q14 PolarHBondContact O-N 2.89Å; L11-Q14 WeakPolarHBondContact O-CB 3.43Å; L11-Q14 PolarHBondContact O-N 3.01Å; D12-Q14 VanDerWaalsContact C-N 3.32Å; D12-Q14 PolarHBondContact O-N 3.47Å; Q14-L17 PolarHBondContact O-N 2.72Å; Q14-L18 WeakPolarHBondContact O-CB 3.3Å; Q14-L18 PolarHBondContact O-N 3.44Å
15R86Confident75.8Confident146 Ų146112.2 Ų112.255%0.55153%0.529SS*.Hα-helixtrans-61.4-43.7173.1-72.5158.5166.2-177.2-4.2111.8L11 D12 L18 M19L11-R15 VanDerWaalsContact O-CG 3.32Å; L11-R15 WeakPolarHBondContact O-CG 3.2Å; L11-R15 PolarHBondContact O-N 2.89Å; D12-R15 PolarHBondContact O-N 2.91Å; D12-R15 WeakPolarHBondContact OD1-CD 3.45Å; D12-R15 IonicContact OD1-CZ 3.63Å; D12-R15 IonicContact OD1-NE 3.25Å; D12-R15 IonicContact OD1-NH1 3.12Å; D12-R15 PolarHBondContact OD1-NH1 3.44Å; R15-L18 PolarHBondContact O-N 3.35Å; R15-M19 WeakPolarHBondContact O-CB 3.27Å; R15-M19 WeakPolarHBondContact O-CG 3.41Å; R15-M19 PolarHBondContact O-N 2.81Å
16A84.8Confident74.7Confident54 Ų54115 Ų11545%0.44653%0.531SS..Hα-helixtrans-64.2-41.7176.500000111.9D12 N13 L18 M19 K20D12-A16 VanDerWaalsContact O-CB 3.28Å; D12-A16 WeakPolarHBondContact O-CB 3.34Å; D12-A16 PolarHBondContact O-N 2.86Å; N13-A16 PolarHBondContact O-N 3.28Å; A16-L18 VanDerWaalsContact C-N 3.35Å; A16-L18 PolarHBondContact O-N 2.69Å; A16-M19 PolarHBondContact O-N 3.17Å; A16-K20 WeakPolarHBondContact O-CB 3.29Å; A16-K20 PolarHBondContact O-N 3.35Å
17L83.2Confident73.4Confident110 Ų110115.4 Ų115.458%0.57655%0.545SS*.Hα-helixtrans-62-39.6171.8-97.5161.3000112.5N13 Q14 K21N13-L17 WeakPolarHBondContact O-CB 3.42Å; N13-L17 PolarHBondContact O-N 2.83Å; Q14-L17 PolarHBondContact O-N 2.72Å; L17-K21 VanDerWaalsContact O-CB 3.27Å; L17-K21 WeakPolarHBondContact O-CB 3.38Å; L17-K21 WeakPolarHBondContact O-CG 3.45Å; L17-K21 PolarHBondContact O-N 2.64Å
18L78.2Confident71.8Confident110 Ų110111.1 Ų111.158%0.57654%0.536SS*.Hα-helixtrans-70.5-44178.5-151.4165.2000110.9Q14 R15 A16 K21 Q22Q14-L18 WeakPolarHBondContact O-CB 3.3Å; Q14-L18 PolarHBondContact O-N 3.44Å; R15-L18 PolarHBondContact O-N 3.35Å; A16-L18 VanDerWaalsContact C-N 3.35Å; A16-L18 PolarHBondContact O-N 2.69Å; L18-K21 CarbonylContact O-C 3.58Å; L18-K21 PolarHBondContact O-N 2.89Å; L18-Q22 WeakPolarHBondContact O-CB 3.34Å; L18-Q22 PolarHBondContact O-N 2.78Å
19M74.9Confident70.1Confident116 Ų116109.1 Ų109.157%0.57153%0.532SS*.Hα-helixtrans-60.3-46.3171.7-78.6-67.5-137.600112R15 A16 K21 Q22 Q23R15-M19 WeakPolarHBondContact O-CB 3.27Å; R15-M19 WeakPolarHBondContact O-CG 3.41Å; R15-M19 PolarHBondContact O-N 2.81Å; A16-M19 PolarHBondContact O-N 3.17Å; M19-K21 PolarHBondContact O-N 3.04Å; M19-Q22 CarbonylContact O-C 3.47Å; M19-Q22 PolarHBondContact O-N 2.84Å; M19-Q22 VanDerWaalsContact O-N 3.09Å; M19-Q23 WeakPolarHBondContact O-CB 3.36Å; M19-Q23 WeakPolarHBondContact O-CG 3.4Å; M19-Q23 PolarHBondContact O-N 2.82Å
20K74.6Confident68.6Low152 Ų152107.9 Ų107.966%0.66153%0.527SS*.Hα-helixtrans-66.8-35.9177.8-166168.4-174.7172.40111.6A16 K24A16-K20 WeakPolarHBondContact O-CB 3.29Å; A16-K20 PolarHBondContact O-N 3.35Å; K20-K24 VanDerWaalsContact O-CB 3.25Å; K20-K24 WeakPolarHBondContact O-CB 3.36Å; K20-K24 PolarHBondContact O-N 2.95Å
21K70.6Confident67.3Low154 Ų154104.6 Ų104.667%0.6752%0.515SS*.Hα-helixtrans-65.3-36.7168-82.8-177175.3-178.50112.5L17 L18 M19 K25L17-K21 VanDerWaalsContact O-CB 3.27Å; L17-K21 WeakPolarHBondContact O-CB 3.38Å; L17-K21 WeakPolarHBondContact O-CG 3.45Å; L17-K21 PolarHBondContact O-N 2.64Å; L18-K21 CarbonylContact O-C 3.58Å; L18-K21 PolarHBondContact O-N 2.89Å; M19-K21 PolarHBondContact O-N 3.04Å; K21-K25 VanDerWaalsContact O-CB 3.31Å; K21-K25 WeakPolarHBondContact O-CB 3.34Å; K21-K25 PolarHBondContact O-N 3.13Å
22Q57.7Low65.8Low86 Ų86102.2 Ų102.240%0.40250%0.503SS..Hα-helixtrans-75.3-39.3178.8-166-176.873.600112L18 M19 K25 R26L18-Q22 WeakPolarHBondContact O-CB 3.34Å; L18-Q22 PolarHBondContact O-N 2.78Å; M19-Q22 CarbonylContact O-C 3.47Å; M19-Q22 PolarHBondContact O-N 2.84Å; M19-Q22 VanDerWaalsContact O-N 3.09Å; Q22-K25 PolarHBondContact O-N 3.45Å; Q22-R26 WeakPolarHBondContact O-CG 3.21Å; Q22-R26 PolarHBondContact O-N 3.37Å; Q22-R26 VanDerWaalsContact OE1-NH2 3.16Å
23Q59.2Low64.5Low124 Ų124101.8 Ų101.858%0.57950%0.503SS*.Hα-helixtrans-61.5-46.5169.7-73.1172.9-12.300110.5M19 K25 R26 A27M19-Q23 WeakPolarHBondContact O-CB 3.36Å; M19-Q23 WeakPolarHBondContact O-CG 3.4Å; M19-Q23 PolarHBondContact O-N 2.82Å; Q23-K25 PolarHBondContact O-N 2.86Å; Q23-R26 WeakPolarHBondContact O-CA 3.15Å; Q23-R26 WeakPolarHBondContact O-CB 3.27Å; Q23-R26 PolarHBondContact O-N 2.69Å; Q23-A27 PolarHBondContact O-N 3.13Å
24K55.2Low63.1Low126 Ų12697.5 Ų97.555%0.54848%0.48SS..Hα-helixtrans-63.1-40.2172.9-174.3159.6-179.6164.50112.2K20 R26 A27 D28K20-K24 VanDerWaalsContact O-CB 3.25Å; K20-K24 WeakPolarHBondContact O-CB 3.36Å; K20-K24 PolarHBondContact O-N 2.95Å; K24-R26 PolarHBondContact O-N 3.02Å; K24-A27 PolarHBondContact O-N 3.49Å; K24-A27 VanDerWaalsContact O-N 3.07Å; K24-D28 VanDerWaalsContact CE-CG 3.45Å; K24-D28 VanDerWaalsContact CE-OD1 3.28Å; K24-D28 WeakPolarHBondContact CE-OD1 3.17Å; K24-D28 WeakPolarHBondContact CE-OD2 3.16Å; K24-D28 WeakPolarHBondContact CG-OD1 3.44Å; K24-D28 WeakPolarHBondContact CG-OD2 3.45Å; K24-D28 IonicContact NZ-OD2 2.79Å; K24-D28 VanDerWaalsContact O-CB 3.29Å; K24-D28 WeakPolarHBondContact O-CB 3.43Å; K24-D28 PolarHBondContact O-N 3.07Å
25K50.4Low61.8Low101 Ų10193.4 Ų93.444%0.43946%0.463SS..Hα-helixtrans-62.3-26.1172.1-167.8-180180-173.80112.3K21 Q22 Q23 A29 E446K21-K25 VanDerWaalsContact O-CB 3.31Å; K21-K25 WeakPolarHBondContact O-CB 3.34Å; K21-K25 PolarHBondContact O-N 3.13Å; Q22-K25 PolarHBondContact O-N 3.45Å; Q23-K25 PolarHBondContact O-N 2.86Å; K25-A29 WeakPolarHBondContact O-CB 3.25Å; K25-A29 PolarHBondContact O-N 3.41Å; K25-E446 VanDerWaalsContact CE-O 3.28Å; K25-E446 WeakPolarHBondContact CE-O 3.19Å; K25-E446 PolarHBondContact NZ-O 3.42Å; K25-E446 IonicContact NZ-OE2 3.84Å
26R50.3Low60Low173 Ų17396.6 Ų96.665%0.65348%0.475SS*.Hα-helixtrans-81-24.3173-71.1172.9-174174.16.4113.8Q22 Q23 K24Q22-R26 WeakPolarHBondContact O-CG 3.21Å; Q22-R26 PolarHBondContact O-N 3.37Å; Q22-R26 VanDerWaalsContact OE1-NH2 3.16Å; Q23-R26 WeakPolarHBondContact O-CA 3.15Å; Q23-R26 WeakPolarHBondContact O-CB 3.27Å; Q23-R26 PolarHBondContact O-N 2.69Å; K24-R26 PolarHBondContact O-N 3.02Å
27A49.9Very low58.2Low81 Ų81100 Ų10067%0.66949%0.485SS*.Hα-helixtrans-88.2-45.1175.600000112.4Q23 K24 A29Q23-A27 PolarHBondContact O-N 3.13Å; K24-A27 PolarHBondContact O-N 3.49Å; K24-A27 VanDerWaalsContact O-N 3.07Å; A27-A29 VanDerWaalsContact C-N 3.27Å; A27-A29 PolarHBondContact O-N 2.85Å
28D42.8Very low56Low96 Ų9698.5 Ų98.551%0.51349%0.489SS..SBendtrans-75.1-12.6176-67.311.2000112.7K24 Q30K24-D28 VanDerWaalsContact CE-CG 3.45Å; K24-D28 VanDerWaalsContact CE-OD1 3.28Å; K24-D28 WeakPolarHBondContact CE-OD1 3.17Å; K24-D28 WeakPolarHBondContact CE-OD2 3.16Å; K24-D28 WeakPolarHBondContact CG-OD1 3.44Å; K24-D28 WeakPolarHBondContact CG-OD2 3.45Å; K24-D28 IonicContact NZ-OD2 2.79Å; K24-D28 VanDerWaalsContact O-CB 3.29Å; K24-D28 WeakPolarHBondContact O-CB 3.43Å; K24-D28 PolarHBondContact O-N 3.07Å; D28-Q30 PolarHBondContact O-N 3.38Å
29A45.4Very low54.1Low36 Ų36104.4 Ų104.430%0.29850%0.504SS..SBendtrans-62.9118.2171.300000109K25 A27 M31 V392K25-A29 WeakPolarHBondContact O-CB 3.25Å; K25-A29 PolarHBondContact O-N 3.41Å; A27-A29 VanDerWaalsContact C-N 3.27Å; A27-A29 PolarHBondContact O-N 2.85Å; A29-M31 VanDerWaalsContact C-N 3.25Å; A29-M31 WeakPolarHBondContact O-CG 3.27Å; A29-M31 PolarHBondContact O-N 3.22Å; A29-V392 HydrophobicContact CB-CG1 4.46Å
30Q53.6Low52.1Low93 Ų93107.9 Ų107.944%0.43552%0.519SS..  trans-63.183.8179.1-69.2168.7-12.600110.7D28 V32D28-Q30 PolarHBondContact O-N 3.38Å; Q30-V32 PolarHBondContact O-N 3.09Å
31M56.4Low50.3Low73 Ų73109.9 Ų109.936%0.3653%0.527SS..  trans-79.9108.1175.6-67.5-95.6-78.100107.4A29 V33 A390 S391 V392A29-M31 VanDerWaalsContact C-N 3.25Å; A29-M31 WeakPolarHBondContact O-CG 3.27Å; A29-M31 PolarHBondContact O-N 3.22Å; M31-V33 WeakPolarHBondContact O-CG2 3.28Å; M31-V33 PolarHBondContact O-N 3.37Å; M31-A390 HydrophobicContact CB-CB 4.04Å; M31-A390 HydrophobicContact CE-CB 4.49Å; M31-A390 WeakPolarHBondContact CE-O 3.33Å; M31-S391 VanDerWaalsContact SD-CA 3.58Å; M31-V392 HydrophobicContact CG-CG1 4.22Å; M31-V392 HydrophobicContact SD-CG1 3.96Å; M31-V392 PolarHBondContact SD-N 2.55Å
32V54.6Low48.4Very low21 Ų21110.1 Ų110.113%0.12754%0.536CS..BIsolated β-bridgetrans-59.9109.9178.7178.50000108.7Q30 L381 F383 S391 N394Q30-V32 PolarHBondContact O-N 3.09Å; V32-L381 HydrophobicContact CG1-CB 3.93Å; V32-L381 HydrophobicContact CG1-CD1 4.22Å; V32-L381 HydrophobicContact CG1-CG 4.04Å; V32-F383 HydrophobicContact CG1-CE2 4.22Å; V32-S391 PolarHBondContact O-N 3.35Å; V32-N394 HydrophobicContact CB-CB 4.22Å; V32-N394 PolarHBondContact O-ND2 3.09Å
33V57.8Low47.2Very low58 Ų58117.8 Ų117.835%0.35256%0.561SS.*EExtended strand (participates in β ladder)trans-78.2128.9175.9-168.10000107.2M31 V380 L381 A390M31-V33 WeakPolarHBondContact O-CG2 3.28Å; M31-V33 PolarHBondContact O-N 3.37Å; V33-V380 HydrophobicContact CB-CG1 4.3Å; V33-V380 WeakPolarHBondContact O-CB 3.19Å; V33-L381 PolarHBondContact O-N 3.01Å; V33-A390 HydrophobicContact CB-CB 4.42Å; V33-A390 HydrophobicContact CG2-CB 4.06Å
34A58.5Low46Very low6 Ų6121.5 Ų121.55%0.0558%0.576CS.*EExtended strand (participates in β ladder)trans-74.3129.1169.800000108.6R36 F383 V387A34-R36 PolarHBondContact O-N 2.9Å; A34-F383 HydrophobicContact CB-CB 4.44Å; A34-F383 HydrophobicContact CB-CD2 3.62Å; A34-F383 HydrophobicContact CB-CE2 4.33Å; A34-F383 HydrophobicContact CB-CG 4.42Å; A34-V387 HydrophobicContact CB-CB 3.86Å; A34-V387 HydrophobicContact CB-CG1 3.79Å; A34-V387 WeakPolarHBondContact CB-O 3.35Å
35N54.6Low44.8Very low46 Ų46124.1 Ų124.125%0.24659%0.589CS.*PPolyproline II helixtrans-61.3136.7-177-164.136.8000111.3D37 L381N35-D37 PolarHBondContact ND2-OD2 3.36Å; N35-D37 PolarHBondContact OD1-OD2 3.49Å; N35-L381 PolarHBondContact N-O 2.74Å
36R46.7Very low43.7Very low212 Ų212129 Ų12980%0.861%0.61SS**  trans-96.412.7-163.9-105.5-174.3176.8-164.7-1.1115.2A34 A38A34-R36 PolarHBondContact O-N 2.9Å; R36-A38 PolarHBondContact O-N 3.49Å; R36-A38 VanDerWaalsContact O-N 3.13Å
37D47.2Very low42.6Very low125 Ų125126.4 Ų126.467%0.66861%0.614SS**  trans-86.185.2-172.2-64-48.4000113.4N35N35-D37 PolarHBondContact ND2-OD2 3.36Å; N35-D37 PolarHBondContact OD1-OD2 3.49Å
38A37.4Very low41.5Very low80 Ų80129.3 Ų129.366%0.66162%0.623SS**SBendtrans-141.481.1168.600000111.6R36R36-A38 PolarHBondContact O-N 3.49Å; R36-A38 VanDerWaalsContact O-N 3.13Å
39R37.7Very low40.8Very low234 Ų234129.9 Ų129.988%0.88364%0.635SS**  trans50.293.6168.2-72.6178.1163.8169.3-4.5116.5K41R39-K41 PolarHBondContact O-N 2.89Å; R39-K41 VanDerWaalsContact O-N 3.12Å
40Q32.7Very low39.9Very low188 Ų188132.9 Ų132.988%0.87965%0.654SS**  trans-61112.3154-69-177.2-5.200110
41K37Very low38.7Very low194 Ų194137.7 Ų137.784%0.84368%0.676SS**  trans-95.5113.9159.1-86-169173.9-176.20108.6R39 R43R39-K41 PolarHBondContact O-N 2.89Å; R39-K41 VanDerWaalsContact O-N 3.12Å; K41-R43 PolarHBondContact O-N 3.16Å
42N31.8Very low37.4Very low159 Ų159143 Ų14385%0.8570%0.7SS**  trans-53126.2177.4-76.2-32.6000111.9
43R31.6Very low36.2Very low248 Ų248148.8 Ų148.894%0.93674%0.736SS**  trans-135.7124.7162.1-155.9170.1-173.1172.51.5108.5K41K41-R43 PolarHBondContact O-N 3.16Å
44K33.6Very low35.1Very low202 Ų202151 Ų15188%0.87875%0.751SS**  trans-68.8156.5-168.3-67.3-176.2176.4-1770112.6
45H30.2Very low33.6Very low181 Ų181158.1 Ų158.184%0.83879%0.788SS**  trans-53.6150.1179.4-64-104.9000114.1
46K27.4Very low32.4Very low202 Ų202163.7 Ų163.788%0.87882%0.816SS**  trans-137.8127.9140-171.5174.4-178.7-179.40108.6
47T26.8Very low31.6Very low120 Ų120160.7 Ų160.774%0.73682%0.815SS**  trans-95.6140.4-179.933.90000111.6
48V28.6Very low30.8Very low141 Ų141160.2 Ų160.286%0.85582%0.821SS**  trans-144.8153.7152.6-178.50000107.7
49S26.6Very low30.3Very low109 Ų109165.3 Ų165.376%0.76283%0.831SS**  trans-51.3157.9-170-160.70000117.8
50S28.4Very low29.9Very low99 Ų99159.7 Ų159.769%0.69283%0.828SS**  trans-75.8159.3162.351.30000113.4
51E27.7Very low29.7Very low194 Ų194158.9 Ų158.991%0.90783%0.829SS**  trans-154.3133.7131.4-120167.3-156.100110.3
52E28.1Very low29.3Very low185 Ų185155 Ų15586%0.86483%0.827SS**  trans-124.1144.4169.7-72.2-169.9132.100108.3
53T29.1Very low29.3Very low142 Ų142152 Ų15287%0.87182%0.817SS**  trans-169.4155.4150.514.10000109.8
54P35.6Very low29Very low104 Ų104146.5 Ų146.568%0.67581%0.812SS**  trans-132.6168.6-146.537.6-19.1000116.9
55L27.5Very low28.8Very low156 Ų156142.7 Ų142.782%0.81781%0.81SS**  trans64.9140.5159.8-62.9159.6000116.3
56L28.9Very low28.8Very low162 Ų162142 Ų14285%0.84881%0.812SS**  -165.1172.768.5-95.2172.6000112.7
57I29.7Very low28.9Very low149 Ų149138.5 Ų138.576%0.76481%0.813SS**  trans-106128.4169.3-64.6167.6000108.3
58S30.5Very low29Very low116 Ų116136.4 Ų136.481%0.81182%0.815SS**  trans-100.6119.8166.346.80000110.7
59Q27Very low29Very low186 Ų186139.8 Ų139.887%0.86982%0.822SS**  trans-103.7139.7157.5-68.2-178.3-600107.5
60S30.3Very low29.1Very low117 Ų117138.3 Ų138.382%0.81882%0.824SS**  trans-132.8130.1171.742.80000110.7
61L26.6Very low29.1Very low170 Ų170141.5 Ų141.589%0.8983%0.833SS**  trans-107.8137.4167.2-66.4169.1000107.5
62S30.1Very low29.3Very low114 Ų114138.2 Ų138.280%0.79783%0.826SS**  trans159.1161.3158.6400000111.1
63S30.2Very low29.3Very low94 Ų94136.5 Ų136.566%0.65782%0.823SS**  cis-169.4135.7-48.147.40000108.9
64T26.7Very low29.3Very low134 Ų134135 Ų13582%0.82281%0.813SS**  trans63.4144165.750.20000116
65S29.8Very low29Very low121 Ų121135 Ų13585%0.84682%0.816SS**  cis-148.6-173.248.5-65.90000114.6
66L29.3Very low29.2Very low166 Ų166133.5 Ų133.587%0.86982%0.818SS**  trans-97.8173.1-158.1-75156.7000116.5
67S30.3Very low29.3Very low129 Ų129134.7 Ų134.790%0.90282%0.82SS**  trans75.9144.3170.472.80000116.9
68G27.4Very low30.2Very low76 Ų76132.9 Ų132.978%0.78482%0.818SS**  cis-153.1-175.30.600000112.6
69E29.5Very low30.1Very low212 Ų212134.4 Ų134.499%0.99182%0.817SS**  trans-83.3155.4-168.3-56.1-175.9133.900115.1
70G28.3Very low30.2Very low79 Ų79133.6 Ų133.681%0.81481%0.813SS**  trans169132.8170.700000114
71D27.8Very low30.1Very low165 Ų165133.8 Ų133.888%0.88281%0.809SS**  trans-100.5176.3-174.2-101.1-51000114.5
72V31.7Very low31.3Very low125 Ų125131.2 Ų131.276%0.75880%0.803SS**  trans90.887.5155.9-161.70000120.4
73N28.2Very low32.2Very low149 Ų149130.9 Ų130.980%0.79780%0.798SS**  67159.6121.2-154.717.2000123.3
74V29.6Very low32Very low110 Ų110135.7 Ų135.767%0.66781%0.81SS**  trans87.892.7159.9-168.50000120.9
75S29.9Very low32Very low106 Ų106138.7 Ų138.774%0.74181%0.812SS**  70.9153.8127.1-56.70000126.1
76S30.6Very low32.4Very low123 Ų123138.3 Ų138.386%0.8681%0.806SS**  trans90.8146.515767.50000120.6
77E30.8Very low32.3Very low187 Ų187137 Ų13787%0.87481%0.805SS**  trans-109-154.6-177.5-58.1-169139.300111.4
78P49.3Very low32.1Very low112 Ų112136.7 Ų136.773%0.72780%0.798SS**  -124.4176.6-109.339.7-21.3000115
79D28Very low32.5Very low147 Ų147138 Ų13879%0.78679%0.793SS**  -171164125.8-130.1-25.5000117.2
80E29.8Very low32.4Very low169 Ų169137 Ų13779%0.7979%0.785SS**  trans55.4175150.3-86.9-165.4152.800125.1
81T28.6Very low32.3Very low121 Ų121138.5 Ų138.574%0.74278%0.779SS**  trans-151.7-175.7-16265.90000110.2
82P51Low32.2Very low116 Ų116138.6 Ų138.675%0.75378%0.776SS**  cis-117.3-99.1-11.519.27.9000111.9
83P49Very low31.9Very low108 Ų108138.7 Ų138.770%0.70177%0.772SS**  cis-130170.9-48.340.3-23.9000118
84E26.8Very low32Very low194 Ų194138.4 Ų138.491%0.90777%0.77SS**  trans73.9172148.4-87.2-178.5-165.100124.8
85K26.8Very low32Very low197 Ų197140.6 Ų140.686%0.85777%0.773SS**  trans-125.6-179.5-161.6-77.4-176.5177.9178.70108.6
86P38.3Very low32Very low113 Ų113141.1 Ų141.173%0.73477%0.771SS**  cis-158.4-175.729.345.6-22.3000121.1
87V26.9Very low31.8Very low140 Ų140141.8 Ų141.885%0.84877%0.765SS**  trans75.7149.8144.5156.60000121.3
88T25.6Very low31.6Very low122 Ų122144.7 Ų144.775%0.74877%0.768SS**  trans-106.2177.9179.164.70000110.4
89P36.5Very low30.5Very low103 Ų103148 Ų14867%0.66977%0.774SS**  -165.4-175.474.946.6-24.4000118.9
90K26.9Very low31.2Very low192 Ų192145.8 Ų145.884%0.83577%0.767SS**  trans70.6165.3157.5-62.7179-176.7-179.40120.4
91T25.8Very low31Very low110 Ų110146.2 Ų146.268%0.67577%0.769SS**  cis-174170.1-42.7-62.70000106.5
92M25.8Very low31Very low167 Ų167146 Ų14682%0.82377%0.768SS**  trans86.7142.2159.1-56.3-166.3-42.800117.9
93D25.3Very low29.7Very low127 Ų127148 Ų14868%0.67977%0.772SS**  cis-173.6172.5-26.1-121.4-51.9000112.7
94L31.5Very low28.6Very low143 Ų143145.3 Ų145.375%0.74976%0.764SS**  trans65.4161158.2-64.7158000117.2
95E28.7Very low28.6Very low156 Ų156145 Ų14573%0.72976%0.76SS**  cis-159.9162.32.7-121.6168-107.300107.1
96V30.8Very low28.6Very low117 Ų117142.5 Ų142.571%0.70975%0.751SS**  cis-157.9-178.6-5.986.40000110.8
97D25.1Very low28Very low137 Ų137146.5 Ų146.573%0.73376%0.76SS**  trans-63.7159-173.7-41.9-54.6000119.6
98R28.3Very low27.9Very low248 Ų248147.3 Ų147.394%0.93676%0.76SS**  -169.9129.5108-103.2173-177.1170.32.7115.4
99E26.3Very low28Very low182 Ų182148.2 Ų148.285%0.8577%0.765SS**  trans-92-166.3164.6-62.5-155.5141.400110.2
100P41Very low27.6Very low100 Ų100147.4 Ų147.465%0.64977%0.767SS**  cis-149.6-170.45.147.8-27.6000119.1
101E26.5Very low28Very low178 Ų178144 Ų14483%0.83276%0.764SS**  trans71152.8151.8-71-152.3170.200120
102V28.3Very low28Very low117 Ų117147.1 Ų147.171%0.70977%0.771SS**  cis-153152.4-15.2113.50000114.1
103N24.4Very low28Very low156 Ų156147.5 Ų147.583%0.83477%0.771SS**  trans-18.9138.9159.6-167.622.1000122.2
104G24.9Very low28Very low53 Ų53149.3 Ų149.355%0.54678%0.775SS.*  126.4143.2115.500000122
105K27.2Very low27.7Very low186 Ų186147.2 Ų147.281%0.80977%0.772SS**  trans72153.6154.6-64.9-171.6167.2-89.30118.5
106E26.3Very low27.6Very low146 Ų146145.9 Ų145.968%0.68278%0.775SS**  cis164.4131.3-24.5-107.2177.1139.700104.6
107E26.4Very low27.3Very low196 Ų196146 Ų14692%0.91677%0.771SS**  174.7168.7124.8-96.8-167.3152.800112.7
108N23.6Very low27.3Very low157 Ų157146 Ų14684%0.8478%0.777SS**  trans-105.9172.2-178.2-73.4-86.8000111.5
109V28.8Very low27.2Very low142 Ų142141.7 Ų141.786%0.86177%0.767SS**  159.1142.8126.9158.70000110.4
110A27.3Very low27.2Very low86 Ų86143.2 Ų143.271%0.71177%0.771SS**  trans-115.7162.6167.500000109.7
111P35.7Very low26.3Very low120 Ų120143.8 Ų143.878%0.77978%0.777SS**  -146.1-178.712038.9-23.4000116.3
112E26.1Very low26.3Very low175 Ų175144.7 Ų144.782%0.81878%0.778SS**  trans-62.5161-170.8-63.9144.6160.600118.3
113E25.1Very low26.1Very low176 Ų176147.6 Ų147.682%0.82278%0.784SS**  trans31160.5135.7-49.1-167.7166.700121.7
114E26Very low26.1Very low165 Ų165146.6 Ų146.677%0.77178%0.775SS**  cis-161.715419.6-152.4-162.3171.300113.2
115S25Very low26.1Very low98 Ų98153.7 Ų153.769%0.68579%0.785SS**  trans82.1153.8140.683.30000126.4
116V27.3Very low26Very low129 Ų129154.1 Ų154.178%0.78279%0.787SS**  trans69.489.3157.1-157.70000124.6
117D25.1Very low25.9Very low119 Ų119154.4 Ų154.464%0.63680%0.799SS**  28.4139.4118-161.615.9000124.1
118T24.6Very low25.6Very low138 Ų138155.2 Ų155.285%0.84779%0.793SS**  trans-160.3139.1140.1-71.40000112
119Q25.5Very low25.6Very low156 Ų156152.7 Ų152.773%0.72979%0.787SS**  trans-92.6163.1-172.2-54.2171.40.200116.3
120K25.4Very low25.4Very low215 Ų215152.9 Ų152.994%0.93578%0.779SS**  trans-161.8160.9139.8-113.2158.6-170.3167.80114
121S22.5Very low25.4Very low112 Ų112156.3 Ų156.378%0.78378%0.783SS**  trans-148.9158.8-155.9580000116.5
122K26.2Very low24.8Very low196 Ų196154.4 Ų154.485%0.85277%0.773SS**  trans-178.5133.4155-101.6167-178.9-175.80107.6
123Q25Very low24.8Very low178 Ų178152.9 Ų152.983%0.83277%0.77SS**  62.3129.956.3-78.4-172.9-1200113.1
124E24.4Very low24.8Very low135 Ų135152.5 Ų152.563%0.63177%0.769SS**  cis-149.115232.5-72.9-167.39100118.2
125R24.6Very low24.9Very low203 Ų203149.1 Ų149.177%0.76676%0.763SS**  trans52.4131.3131.5-63178.1171.8154.6-12126.3
126K24.3Very low24.9Very low194 Ų194153 Ų15384%0.84377%0.767SS**  trans49.2126.7131.9-68.7-173.6173.8-176.20122.6
127T24.2Very low24.9Very low153 Ų153153.6 Ų153.694%0.93977%0.766SS**  -155.5167.4117.44.90000111.9
128R21.5Very low25.1Very low212 Ų212155.5 Ų155.580%0.877%0.771SS**  trans-149.5137.6-177164.6-172175.9-175.41.1109.3
129C22.9Very low25.2Very low105 Ų105157.2 Ų157.271%0.70977%0.77SS**  trans-163.1129.3150.6-93.60000107.3
130Q24.9Very low25.3Very low146 Ų146155.5 Ų155.568%0.68277%0.765SS**  66.7117.476.9-68.3175.6-3000111.3
131I26.9Very low25.3Very low158 Ų158153.7 Ų153.781%0.8176%0.759SS**  -138.9129.373.1-84.5151.6000110
132S24.2Very low25.5Very low80 Ų80156.6 Ų156.656%0.55976%0.761SS**  58.413882.826.30000115.8
133D24.5Very low25.3Very low143 Ų143156.2 Ų156.277%0.76576%0.762SS**  cis-150.6162.1-4.2-91.1-33.7000113
134E25.6Very low25.2Very low168 Ų168151.9 Ų151.979%0.78575%0.751SS**  trans9.9125147-57.5-169.7143.400119.1
135S28.8Very low25.3Very low94 Ų94151.9 Ų151.966%0.65775%0.751SS**  cis84.7139.547.682.10000115.4
136K24.9Very low25.3Very low178 Ų178151.6 Ų151.677%0.77475%0.75SS**  -175.2129.9129.6-105.2180179.4-164.80113.8
137D27.5Very low25.2Very low142 Ų142150.5 Ų150.576%0.75975%0.745SS**  trans-77.9176.5160.3-54.1-85.9000109.2
138E29Very low25.1Very low159 Ų159151.3 Ų151.374%0.74374%0.736SS**  161.3131.8109.9-76153.9-129.200106.2
139E27Very low25.3Very low174 Ų174148.3 Ų148.381%0.81373%0.731SS**  cis-157.2-157.4-24.7-141.7-156.7175.900112.1
140I26.9Very low25.4Very low121 Ų121153.6 Ų153.662%0.62174%0.742SS**  trans-64.4149.6-176.7-69.7163.9000116.4
141Q25.3Very low25.2Very low176 Ų176156.4 Ų156.482%0.82275%0.752SS**  177.4179.3108.1-148131.170.200115
142E26.1Very low25.1Very low173 Ų173154.7 Ų154.781%0.80875%0.754SS**  trans-102.4157-163.1-52.9162.110800113.6
143E23.8Very low25.2Very low188 Ų188160.8 Ų160.888%0.87977%0.77SS**  -164.9-166.3125.5-121.8-142.410700114
144S22.5Very low25.1Very low87 Ų87163.5 Ų163.561%0.60878%0.775SS**  trans-132.8168.4-143.373.30000118.3
145E25.3Very low25.1Very low136 Ų136160 Ų16064%0.63678%0.775SS**  trans49.2109.1148.3-97.5-159.8-150.600122.3
146R24.7Very low25Very low197 Ų197164 Ų16474%0.74378%0.784SS**  164127.3105-90.6152.9-168.8-161.45.9119.5
147K23.8Very low25.2Very low170 Ų170165.8 Ų165.874%0.73979%0.791SS**  52.2123.8128.9-64.3175.6-177.8168.30123.3
148K21.8Very low25.2Very low170 Ų170165.3 Ų165.374%0.73979%0.794SS**  trans83.3115.9131.6-80.8-176.5164.1-105.50122.5
149E25Very low25.3Very low149 Ų149163.2 Ų163.270%0.69679%0.794SS**  53.6113.6127-60.5177.9109.600121.3
150K24Very low25.4Very low216 Ų216159.3 Ų159.394%0.93979%0.786SS**  -162154.4116.2-110.1160.2-172.8172.20113.8
151K22Very low25.7Very low206 Ų206157.6 Ų157.690%0.89678%0.781SS**  trans-79.2143.9175.7-69.1170.6175.6168.20111.4
152S24.8Very low26.4Very low121 Ų121153.1 Ų153.185%0.84676%0.762SS**  trans-137.6153.9140.265.80000108.9
153K24.9Very low26.9Very low208 Ų208148.5 Ų148.590%0.90475%0.754SS**  trans-103.8135.6-179.1-63.3178.4-178.8178.80109.7
154K23.6Very low27.4Very low200 Ų200143.6 Ų143.687%0.8774%0.74SS**  trans-143143.6144.4-151.9179.3-179-165.30108.2
155A26.3Very low28.2Very low95 Ų95146.9 Ų146.979%0.78574%0.74SS**  trans-115.4132.6-174.700000110.1
156E26.2Very low29.1Very low179 Ų179146.3 Ų146.384%0.83674%0.741SS**  trans-130.6143.5163.5-93.1163.1-168.100107.9
157K29.7Very low29.6Very low214 Ų214141.6 Ų141.693%0.9374%0.739SS**  trans-94.3114-175-69.3-179.6175.7-177.90109.6
158T26.4Very low30.1Very low132 Ų132141.4 Ų141.481%0.8175%0.746SS**  trans-86.9148.316244.80000110.4
159P32.1Very low30.5Very low116 Ų116139.6 Ų139.675%0.75375%0.753SS**  trans-72.3153175.830.7-34.7000111.6T161P159-T161 PolarHBondContact O-N 2.92Å
160S27.4Very low30.9Very low91 Ų91142.7 Ų142.764%0.63676%0.758SS**  trans-77.8114.3-177.252.40000112.8
161T33.3Very low31Very low85 Ų85139.1 Ų139.152%0.52175%0.745SS.*  trans-68.1151.2171.5-52.10000111.8P159 A163 S164P159-T161 PolarHBondContact O-N 2.92Å; T161-A163 PolarHBondContact O-N 3.41Å; T161-S164 PolarHBondContact O-N 3.38Å
162L40.6Very low31.4Very low83 Ų83135.8 Ų135.844%0.43574%0.742SS.*G310 helixtrans-49.9-27.2-177-164.672.6000115.1S164L162-S164 VanDerWaalsContact C-N 3.26Å; L162-S164 PolarHBondContact O-N 2.8Å
163A36.6Very low31.4Very low76 Ų76136.2 Ų136.263%0.62875%0.745SS**G310 helixtrans-67.4-13-174.400000115.7T161 Y165T161-A163 PolarHBondContact O-N 3.41Å; A163-Y165 PolarHBondContact O-N 3.06Å
164S35.4Very low32Very low84 Ų84132.3 Ų132.359%0.58774%0.744SS**G310 helixtrans-80.6-3.3-169.8-59.80000116.7T161 L162T161-S164 PolarHBondContact O-N 3.38Å; L162-S164 VanDerWaalsContact C-N 3.26Å; L162-S164 PolarHBondContact O-N 2.8Å
165Y39.3Very low32.3Very low157 Ų157128.5 Ų128.562%0.61674%0.742SS**G310 helixtrans-102.8-13.7-167-80.2-72.4000117.2A163 S167A163-Y165 PolarHBondContact O-N 3.06Å; Y165-S167 PolarHBondContact O-N 3.27Å
166N43Very low32.5Very low123 Ų123128 Ų12866%0.65875%0.747SS**  trans-102.870.6-175.3-79.536.9000112.9
167S36.1Very low32.9Very low98 Ų98125.1 Ų125.169%0.68575%0.746SS**  trans-149.967170.654.20000113.9Y165Y165-S167 PolarHBondContact O-N 3.27Å
168N32.8Very low33.4Very low167 Ų167123.8 Ų123.889%0.89374%0.743SS**  trans-154.296.9159.1-107.8-31.5000111.8
169C32Very low33.7Very low131 Ų131126.1 Ų126.189%0.88575%0.745SS**  trans-93.5110174-54.80000109.4
170R31.4Very low33.7Very low215 Ų215127.6 Ų127.681%0.81175%0.746SS**  trans-153.2114.9167.2-140.7171.8-178.9150.77.7116.5
171E27.2Very low34.2Very low141 Ų141132.5 Ų132.566%0.65976%0.759SS**  trans39.497.4139.7-56.8171.3131.500118.6
172T29.6Very low34.3Very low136 Ų136139.3 Ų139.383%0.83478%0.775SS**  trans29.6118.7135.954.80000119.6
173S26.6Very low34.2Very low129 Ų129141.7 Ų141.790%0.90279%0.793SS**  trans-143.9131.7145-73.60000109.1
174S35.5Very low34.4Very low126 Ų126141.9 Ų141.988%0.88179%0.787SS**  trans-97.2131.7-178.245.20000111.8
175S30.9Very low35Very low120 Ų120141.9 Ų141.984%0.83979%0.786SS**  trans-135.9119156.2510000108.2
176G31.2Very low36Very low86 Ų86140.2 Ų140.289%0.88780%0.795SS**  trans-82.1142.8177.100000110.8
177S33.7Very low37.3Very low117 Ų117137.2 Ų137.282%0.81878%0.777SS**  trans-129.8100.6162.958.30000108.8
178E39.5Very low39.3Very low187 Ų187134.7 Ų134.787%0.87476%0.76SS**  trans-66.3129.9169.5-58.4-179.7128.100109.2
179H32.6Very low41.2Very low181 Ų181130.5 Ų130.584%0.83874%0.74SS**  trans-157.9104.9150.2-112.9-52000114.2
180N32.3Very low43.4Very low146 Ų146130 Ų13078%0.78173%0.725SS**  trans58.1123.8142-118.2-4.7000120.2R182N180-R182 PolarHBondContact O-N 3.45Å
181E39.3Very low46.1Very low194 Ų194123.9 Ų123.991%0.90771%0.708SS**  trans-61.1109.5162.5-64.1-166.4128.500110.5
182R34.6Very low49.1Very low228 Ų228118.1 Ų118.186%0.8668%0.682SS**  trans-98.5112.6168.8-150.9172.2-167.2176.62.8109.7N180 T184N180-R182 PolarHBondContact O-N 3.45Å; R182-T184 PolarHBondContact O-N 2.59Å
183V38Very low52Low134 Ų134115.4 Ų115.481%0.81266%0.66SS**  trans-45.6135.2168.6176.90000109S185V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.25Å
184T42.2Very low55.1Low80 Ų80113.5 Ų113.549%0.49164%0.639SS.*  trans-71.183.5-169.948.60000112.3R182 K235R182-T184 PolarHBondContact O-N 2.59Å; T184-K235 HydrophobicContact CG2-CD 3.94Å
185S46.5Very low58Low83 Ų83109.2 Ų109.258%0.5861%0.605SS**PPolyproline II helixtrans-58.6147.6158.755.50000109.9V183V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.25Å
186P61Low61Low122 Ų122103.6 Ų103.679%0.79257%0.565SS**PPolyproline II helixtrans-57148162.827.6-33.9000109.5
187M70.5Confident64.1Low60 Ų60102.4 Ų102.430%0.29654%0.539SS..PPolyproline II helixtrans-65.3152.2167.4-72.1172.462.100109.2D191 L192 F195 V237M187-D191 HydrophobicContact CB-CB 4.12Å; M187-D191 HydrophobicContact CE-CB 3.81Å; M187-L192 HydrophobicContact CB-CD1 4.48Å; M187-L192 HydrophobicContact CB-CD2 4.04Å; M187-L192 HydrophobicContact CB-CG 3.89Å; M187-L192 HydrophobicContact CE-CD2 4.02Å; M187-L192 HydrophobicContact CE-CG 4.46Å; M187-L192 HydrophobicContact SD-CD2 4.01Å; M187-F195 HydrophobicContact CE-CB 4.13Å; M187-F195 HydrophobicContact CE-CG 4.45Å; M187-V237 HydrophobicContact SD-CG1 3.87Å
188S77.2Confident67Low45 Ų45103.2 Ų103.232%0.31552%0.524SS..PPolyproline II helixtrans-66162.9170.869.90000110.8E190 D191 L192S188-E190 WeakPolarHBondContact CB-OE2 3.49Å; S188-E190 PolarHBondContact O-N 2.96Å; S188-D191 WeakPolarHBondContact CB-OD2 3.29Å; S188-D191 PolarHBondContact N-OD2 3.4Å; S188-D191 PolarHBondContact O-N 3.43Å; S188-D191 WeakPolarHBondContact OG-CB 3.03Å; S188-D191 PolarHBondContact OG-N 2.86Å; S188-D191 PolarHBondContact OG-OD2 3.44Å; S188-L192 WeakPolarHBondContact O-CG 3.4Å; S188-L192 PolarHBondContact O-N 2.91Å
189V74.1Confident69.8Low79 Ų7995.6 Ų95.648%0.47949%0.49SS..Hα-helixtrans-64.4-38.6178.4-179.70000109.2L192 E193 I257V189-L192 PolarHBondContact O-N 2.79Å; V189-E193 PolarHBondContact O-N 3.32Å; V189-I257 HydrophobicContact CG1-CD1 3.43Å; V189-I257 VanDerWaalsContact CG1-CD1 3.43Å; V189-I257 HydrophobicContact CG1-CG1 4.17Å; V189-I257 WeakPolarHBondContact O-CD1 3.32Å
190E78.3Confident72.8Confident121 Ų12187 Ų8757%0.56545%0.451SS*.Hα-helixtrans-65.2-43.2176.6-58.772.8-164.200111.3S188 L192 N194S188-E190 WeakPolarHBondContact CB-OE2 3.49Å; S188-E190 PolarHBondContact O-N 2.96Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.76Å; E190-N194 WeakPolarHBondContact O-CB 3.41Å; E190-N194 PolarHBondContact O-N 2.96Å; E190-N194 PolarHBondContact O-ND2 2.89Å
191D88Confident75.9Confident86 Ų8683.6 Ų83.646%0.4644%0.436SS..Hα-helixtrans-62-38.8173.5-72.4-51000111.8M187 S188 F195M187-D191 HydrophobicContact CB-CB 4.12Å; M187-D191 HydrophobicContact CE-CB 3.81Å; S188-D191 WeakPolarHBondContact CB-OD2 3.29Å; S188-D191 PolarHBondContact N-OD2 3.4Å; S188-D191 PolarHBondContact O-N 3.43Å; S188-D191 WeakPolarHBondContact OG-CB 3.03Å; S188-D191 PolarHBondContact OG-N 2.86Å; S188-D191 PolarHBondContact OG-OD2 3.44Å; D191-F195 WeakPolarHBondContact O-CB 3.39Å; D191-F195 PolarHBondContact O-N 2.98Å
192L89.4Confident78.5Confident20 Ų2078.9 Ų78.911%0.10541%0.41CS..Hα-helixtrans-69.6-43.1179.9-72.9169.5000112M187 S188 V189 E190 F195 A196 F238 L239 I257M187-L192 HydrophobicContact CB-CD1 4.48Å; M187-L192 HydrophobicContact CB-CD2 4.04Å; M187-L192 HydrophobicContact CB-CG 3.89Å; M187-L192 HydrophobicContact CE-CD2 4.02Å; M187-L192 HydrophobicContact CE-CG 4.46Å; M187-L192 HydrophobicContact SD-CD2 4.01Å; S188-L192 WeakPolarHBondContact O-CG 3.4Å; S188-L192 PolarHBondContact O-N 2.91Å; V189-L192 PolarHBondContact O-N 2.79Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.76Å; L192-F195 PolarHBondContact O-N 2.92Å; L192-A196 VanDerWaalsContact O-CB 3.26Å; L192-A196 WeakPolarHBondContact O-CB 3.1Å; L192-A196 PolarHBondContact O-N 2.89Å; L192-F238 WeakPolarHBondContact CD2-O 3.39Å; L192-L239 HydrophobicContact CD2-CD2 4.25Å; L192-I257 HydrophobicContact CB-CB 4.31Å; L192-I257 HydrophobicContact CB-CG2 4.23Å
193E90.7Very high81.2Confident80 Ų8074 Ų7437%0.37440%0.402SS..Hα-helixtrans-62.4-48.5173.8-176.6170.8-154.100111.3V189 F195 A196 L197 I257 I270V189-E193 PolarHBondContact O-N 3.32Å; E193-F195 VanDerWaalsContact C-N 3.33Å; E193-F195 PolarHBondContact O-N 3.2Å; E193-A196 WeakPolarHBondContact O-CB 3.44Å; E193-A196 PolarHBondContact O-N 3.03Å; E193-A196 VanDerWaalsContact O-N 3.12Å; E193-L197 HydrophobicContact CG-CD1 4.21Å; E193-L197 PolarHBondContact O-N 3.41Å; E193-I257 HydrophobicContact CB-CD1 4.01Å; E193-I270 HydrophobicContact CB-CG2 4.41Å; E193-I270 HydrophobicContact CG-CG2 4.02Å
194N92.6Very high83.9Confident89 Ų8971 Ų7148%0.47638%0.383SS..Hα-helixtrans-60.3-42.6177.3-82.2-75.5000111.6E190 R198E190-N194 WeakPolarHBondContact O-CB 3.41Å; E190-N194 PolarHBondContact O-N 2.96Å; E190-N194 PolarHBondContact O-ND2 2.89Å; N194-R198 WeakPolarHBondContact O-CB 3.4Å; N194-R198 PolarHBondContact O-N 2.97Å
195F94.5Very high86.5Confident36 Ų3670.6 Ų70.616%0.15838%0.381CS..Hα-helixtrans-65.5-37174.7-173.3-80.8000112.5M187 D191 L192 E193 L197 I206 M229 L239 A428M187-F195 HydrophobicContact CE-CB 4.13Å; M187-F195 HydrophobicContact CE-CG 4.45Å; D191-F195 WeakPolarHBondContact O-CB 3.39Å; D191-F195 PolarHBondContact O-N 2.98Å; L192-F195 PolarHBondContact O-N 2.92Å; E193-F195 VanDerWaalsContact C-N 3.33Å; E193-F195 PolarHBondContact O-N 3.2Å; F195-L197 VanDerWaalsContact C-N 3.32Å; F195-L197 PolarHBondContact O-N 2.86Å; F195-I206 HydrophobicContact CZ-CD1 4.12Å; F195-I206 HydrophobicContact CZ-CG2 4.24Å; F195-M229 HydrophobicContact CE1-SD 4.44Å; F195-M229 HydrophobicContact CE2-SD 4.09Å; F195-M229 HydrophobicContact CZ-CE 4.41Å; F195-M229 HydrophobicContact CZ-SD 3.59Å; F195-M229 VanDerWaalsContact CZ-SD 3.59Å; F195-L239 HydrophobicContact CD1-CD1 4.2Å; F195-L239 HydrophobicContact CD1-CD2 3.67Å; F195-L239 HydrophobicContact CE1-CD1 3.66Å; F195-L239 HydrophobicContact CE1-CD2 3.72Å; F195-L239 HydrophobicContact CE1-CG 4.35Å; F195-L239 HydrophobicContact CG-CD2 4.48Å; F195-A428 HydrophobicContact CE1-CB 4.36Å
196A95.3Very high88.9Confident1 Ų167.7 Ų67.71%0.00836%0.359CS..Hα-helixtrans-63.3-37.2-179.100000112.9L192 E193 M240 I270 A428 L429L192-A196 VanDerWaalsContact O-CB 3.26Å; L192-A196 WeakPolarHBondContact O-CB 3.1Å; L192-A196 PolarHBondContact O-N 2.89Å; E193-A196 WeakPolarHBondContact O-CB 3.44Å; E193-A196 PolarHBondContact O-N 3.03Å; E193-A196 VanDerWaalsContact O-N 3.12Å; A196-M240 HydrophobicContact CB-CE 3.46Å; A196-M240 VanDerWaalsContact CB-CE 3.46Å; A196-I270 HydrophobicContact CB-CD1 3.61Å; A196-A428 PolarHBondContact O-N 2.86Å; A196-L429 VanDerWaalsContact O-CB 3.31Å; A196-L429 WeakPolarHBondContact O-CB 3.17Å; A196-L429 PolarHBondContact O-N 2.85Å
197L95Very high90.6Very high62 Ų6266 Ų6633%0.32534%0.34SS..Hα-helixtrans-91.7-31.4-176.7-66.4169.5000113.8E193 F195 L307 C427 L429E193-L197 HydrophobicContact CG-CD1 4.21Å; E193-L197 PolarHBondContact O-N 3.41Å; F195-L197 VanDerWaalsContact C-N 3.32Å; F195-L197 PolarHBondContact O-N 2.86Å; L197-L307 HydrophobicContact CD2-CD1 4.07Å; L197-C427 WeakPolarHBondContact O-CB 3.41Å; L197-C427 PolarHBondContact O-SG 2.89Å; L197-L429 HydrophobicContact CD2-CD2 3.69Å
198R95.4Very high91.9Very high134 Ų13463.1 Ų63.151%0.50633%0.326SS..SBendtrans-61.3131.5-179.6-170.2-175.5-63.2117.7-1.8111.5N194 C427N194-R198 WeakPolarHBondContact O-CB 3.4Å; N194-R198 PolarHBondContact O-N 2.97Å; R198-C427 WeakPolarHBondContact O-CB 3.17Å
199P97.4Very high92.9Very high26 Ų2662.8 Ų62.817%0.16932%0.318CS..BIsolated β-bridgetrans-55.5150169-21.832.2000111.8M332 F424P199-M332 HydrophobicContact CB-CE 4.22Å; P199-M332 HydrophobicContact CG-CE 3.6Å; P199-F424 HydrophobicContact CB-CD2 4.43Å
200A97.1Very high94Very high1 Ų159 Ų591%0.00830%0.295CS..PPolyproline II helixtrans-59.6142.3163.500000109.7I206 Y422 F424 M426A200-I206 HydrophobicContact CB-CD1 3.8Å; A200-I206 HydrophobicContact CB-CG1 4.15Å; A200-Y422 HydrophobicContact CB-CD2 3.91Å; A200-Y422 HydrophobicContact CB-CE2 3.74Å; A200-F424 WeakPolarHBondContact O-CB 3.19Å; A200-F424 WeakPolarHBondContact O-CD2 3.49Å; A200-M426 PolarHBondContact N-O 3.3Å
201P96.1Very high94.9Very high74 Ų7455.3 Ų55.348%0.48128%0.281SS..PPolyproline II helixtrans-58.7156.6173.8-2233000112.2V204P201-V204 HydrophobicContact CB-CB 4.14Å; P201-V204 HydrophobicContact CB-CG2 4.11Å; P201-V204 HydrophobicContact CG-CB 4.44Å; P201-V204 PolarHBondContact O-N 3.47Å
202R93.9Very high95.1Very high95 Ų9553.6 Ų53.636%0.35827%0.268SS..THydrogen-bonded Turntrans-56.8143.3169.8-68.3-178.8179.3-110.9-1.2110.5V204 D336 F424R202-V204 PolarHBondContact O-N 3.12Å; R202-D336 WeakPolarHBondContact CD-OD2 3.3Å; R202-D336 IonicContact CZ-OD1 3.17Å; R202-D336 VanDerWaalsContact CZ-OD1 3.27Å; R202-D336 IonicContact CZ-OD2 3.34Å; R202-D336 VanDerWaalsContact NE-CG 3.3Å; R202-D336 IonicContact NE-OD1 3.11Å; R202-D336 PolarHBondContact NE-OD1 3.41Å; R202-D336 IonicContact NE-OD2 2.92Å; R202-D336 PolarHBondContact NE-OD2 2.74Å; R202-D336 IonicContact NH2-OD1 2.76Å; R202-D336 PolarHBondContact NH2-OD1 3.32Å; R202-D336 IonicContact NH2-OD2 2.86Å; R202-F424 HydrophobicContact CG-CD1 4.3Å; R202-F424 HydrophobicContact CG-CD2 4.19Å; R202-F424 HydrophobicContact CG-CE2 4.48Å; R202-F424 HydrophobicContact CG-CG 4.09Å
203D91.9Very high95.3Very high127 Ų12755 Ų5568%0.67928%0.275SS*.THydrogen-bonded Turntrans56.612.3178.9-49.2-49.7000115.9
204V95.1Very high95Very high69 Ų6955.6 Ų55.642%0.41827%0.274SS..  trans-114.5120.7174.7177.60000110.3P201 R202 I206P201-V204 HydrophobicContact CB-CB 4.14Å; P201-V204 HydrophobicContact CB-CG2 4.11Å; P201-V204 HydrophobicContact CG-CB 4.44Å; P201-V204 PolarHBondContact O-N 3.47Å; R202-V204 PolarHBondContact O-N 3.12Å; V204-I206 HydrophobicContact CG1-CG1 4.37Å
205T96.9Very high94.3Very high72 Ų7262.3 Ų62.344%0.44229%0.293SS..  trans-95.2114.1168.6-56.60000109.9Q207 D421 Y422 S423T205-Q207 PolarHBondContact O-N 3.18Å; T205-D421 HydrophobicContact CG2-CB 3.83Å; T205-Y422 CarbonylContact C-O 3.54Å; T205-Y422 WeakPolarHBondContact CA-O 3.38Å; T205-S423 PolarHBondContact OG1-OG 2.75Å
206I97.1Very high92.8Very high23 Ų2361.3 Ų61.312%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-79.3116.9175.3-60.6177.2000108.4F195 A200 V204 M229 D421 Y422F195-I206 HydrophobicContact CZ-CD1 4.12Å; F195-I206 HydrophobicContact CZ-CG2 4.24Å; A200-I206 HydrophobicContact CB-CD1 3.8Å; A200-I206 HydrophobicContact CB-CG1 4.15Å; V204-I206 HydrophobicContact CG1-CG1 4.37Å; I206-M229 HydrophobicContact CG2-CG 4.26Å; I206-M229 HydrophobicContact CG2-SD 4.11Å; I206-D421 WeakPolarHBondContact O-CA 3Å; I206-Y422 HydrophobicContact CB-CD1 4.26Å; I206-Y422 HydrophobicContact CB-CE1 3.75Å; I206-Y422 HydrophobicContact CB-CE2 4.31Å; I206-Y422 HydrophobicContact CD1-CE2 4.02Å; I206-Y422 WeakPolarHBondContact CD1-OH 3.38Å; I206-Y422 HydrophobicContact CG2-CE1 3.69Å; I206-Y422 PolarHBondContact N-O 2.97Å; I206-Y422 PolarHBondContact O-N 2.98Å
207Q97.3Very high90.9Very high86 Ų8667.2 Ų67.240%0.40232%0.321SS..EExtended strand (participates in β ladder)trans-90.4125.7-179-65.7-173.93100111.2T205 E230 D421T205-Q207 PolarHBondContact O-N 3.18Å; Q207-E230 PolarHBondContact O-N 2.95Å; Q207-D421 WeakPolarHBondContact CA-OD1 3.28Å; Q207-D421 HydrophobicContact CG-CB 4.48Å
208C97.8Very high89.2Confident0 Ų069 Ų690%033%0.328CS..EExtended strand (participates in β ladder)trans-131.9165179.6-61.50000113L227 H228 R386 M420 D421C208-L227 HydrophobicContact CB-CD1 3.65Å; C208-L227 HydrophobicContact CB-CG 4.4Å; C208-H228 CarbonylContact C-O 3.48Å; C208-H228 WeakPolarHBondContact CA-O 3.3Å; C208-H228 VanDerWaalsContact CB-O 3.27Å; C208-H228 WeakPolarHBondContact CB-O 3.4Å; C208-R386 PolarHBondContact O-NH2 2.84Å; C208-M420 CarbonylContact C-O 3.43Å; C208-M420 VanDerWaalsContact CA-O 3.25Å; C208-M420 WeakPolarHBondContact CA-O 3.33Å; C208-M420 HydrophobicContact CB-CE 4.2Å; C208-M420 WeakPolarHBondContact CB-O 3.45Å; C208-M420 PolarHBondContact N-O 2.83Å; C208-M420 PolarHBondContact O-N 3.11Å; C208-D421 PolarHBondContact N-OD1 3.27Å
209R97.3Very high87.8Confident38 Ų3873 Ų7314%0.14335%0.349CS..EExtended strand (participates in β ladder)trans-124.4126.3179.5-154.570.7171.2-170.42.5109.5H228 E230 V417 F418R209-H228 PolarHBondContact N-O 2.93Å; R209-H228 PolarHBondContact O-N 3.14Å; R209-E230 HydrophobicContact CB-CG 4Å; R209-E230 WeakPolarHBondContact CD-OE1 3.46Å; R209-V417 HydrophobicContact CG-CG1 3.99Å; R209-F418 WeakPolarHBondContact CD-O 3.39Å
210V97.6Very high86.3Confident0 Ų072.8 Ų72.80%035%0.352CS..EExtended strand (participates in β ladder)trans-105122.2171.8174.90000108.9Y225 Y226 L227 F418 M420 F432 T435V210-Y225 HydrophobicContact CG1-CD1 4.24Å; V210-Y226 WeakPolarHBondContact CA-O 3.38Å; V210-L227 HydrophobicContact CG2-CD1 3.57Å; V210-F418 HydrophobicContact CB-CB 4.36Å; V210-F418 PolarHBondContact N-O 2.64Å; V210-F418 PolarHBondContact O-N 3.13Å; V210-M420 HydrophobicContact CG2-CB 4.01Å; V210-M420 HydrophobicContact CG2-SD 4.12Å; V210-F432 HydrophobicContact CG1-CE2 4.25Å; V210-F432 HydrophobicContact CG2-CD2 4.11Å; V210-F432 HydrophobicContact CG2-CE2 4.16Å; V210-T435 HydrophobicContact CG1-CG2 4.45Å; V210-T435 HydrophobicContact CG2-CG2 4.28Å
211T96.3Very high85.3Confident43 Ų4378 Ų7826%0.26438%0.378SS..EExtended strand (participates in β ladder)trans-106.5145.3170.255.60000110Y225 Y226 D416 V417T211-Y225 CarbonylContact O-C 3.59Å; T211-Y225 VanDerWaalsContact O-CA 3.32Å; T211-Y225 WeakPolarHBondContact O-CA 3.39Å; T211-Y226 PolarHBondContact N-O 3.2Å; T211-Y226 PolarHBondContact O-N 3.4Å; T211-D416 CarbonylContact C-O 3.5Å; T211-D416 WeakPolarHBondContact CA-O 3.44Å; T211-V417 HydrophobicContact CG2-CG1 4.23Å; T211-V417 HydrophobicContact CG2-CG2 4.32Å
212R93.8Very high84.8Confident50 Ų5077 Ų7719%0.18937%0.365CS..EExtended strand (participates in β ladder)trans-118.1105.7179.5179.8178.559.2-177.9-5.3110.5R214 P223 T224 Y225 E415 D416 F418R212-R214 VanDerWaalsContact NH2-NH2 3.13Å; R212-P223 HydrophobicContact CG-CB 3.86Å; R212-P223 HydrophobicContact CG-CG 4.26Å; R212-T224 CarbonylContact C-O 3.58Å; R212-T224 WeakPolarHBondContact CA-O 3.47Å; R212-Y225 HydrophobicContact CB-CD1 3.99Å; R212-Y225 HydrophobicContact CB-CE1 3.93Å; R212-Y225 VanDerWaalsContact CD-CE1 3.42Å; R212-Y225 VanDerWaalsContact CD-OH 3.31Å; R212-Y225 WeakPolarHBondContact CD-OH 3.32Å; R212-Y225 HydrophobicContact CG-CD1 4.02Å; R212-Y225 HydrophobicContact CG-CE1 3.6Å; R212-Y225 HydrophobicContact CG-CE2 4.49Å; R212-E415 PolarHBondContact NH2-O 2.95Å; R212-E415 VanDerWaalsContact NH2-O 3.15Å; R212-D416 HydrophobicContact CB-CB 4.27Å; R212-D416 IonicContact CZ-OD1 2.67Å; R212-D416 PolarHBondContact N-O 3.14Å; R212-D416 IonicContact NE-OD1 2.89Å; R212-D416 PolarHBondContact NE-OD1 3.33Å; R212-D416 IonicContact NH2-OD1 3.99Å; R212-D416 PolarHBondContact NH2-OD1 3.26Å; R212-D416 WeakPolarHBondContact O-CB 3.41Å; R212-F418 HydrophobicContact CB-CE2 4.46Å
213D91.8Very high84.7Confident48 Ų4873.3 Ų73.326%0.25735%0.354SS..EExtended strand (participates in β ladder)trans-83.8118.6173-179.231000111.6R215 P223 T224 Y226D213-R215 WeakPolarHBondContact OD1-CB 3.32Å; D213-R215 WeakPolarHBondContact OD1-CG 3.29Å; D213-R215 PolarHBondContact OD1-N 3.32Å; D213-P223 CarbonylContact O-C 3.57Å; D213-P223 WeakPolarHBondContact O-CA 3.46Å; D213-P223 WeakPolarHBondContact O-CB 3.47Å; D213-T224 PolarHBondContact N-O 3Å; D213-T224 PolarHBondContact O-N 2.85Å; D213-Y226 HydrophobicContact CB-CE2 3.8Å
214R85.6Confident84.7Confident94 Ų9467.7 Ų67.736%0.35532%0.324SS..  trans-91.9-6.2173.3-52.7-172.4-158.4164.411.2113.4R212 G216 G220 P223 E415 D416R212-R214 VanDerWaalsContact NH2-NH2 3.13Å; R214-G216 PolarHBondContact O-N 2.92Å; R214-G220 WeakPolarHBondContact O-CA 3.23Å; R214-G220 PolarHBondContact O-N 2.76Å; R214-P223 HydrophobicContact CG-CB 4.49Å; R214-E415 IonicContact CZ-OE1 3.63Å; R214-E415 IonicContact NH1-OE1 2.72Å; R214-E415 PolarHBondContact NH1-OE1 3.17Å; R214-E415 VanDerWaalsContact NH2-CD 3.33Å; R214-E415 IonicContact NH2-OE1 2.64Å; R214-E415 PolarHBondContact NH2-OE1 3.01Å; R214-D416 IonicContact CZ-OD1 2.97Å; R214-D416 IonicContact CZ-OD2 2.7Å; R214-D416 IonicContact NE-OD1 2.96Å; R214-D416 PolarHBondContact NE-OD1 3.15Å; R214-D416 IonicContact NE-OD2 2.66Å; R214-D416 PolarHBondContact NE-OD2 2.83Å; R214-D416 VanDerWaalsContact NE-OD2 3.11Å; R214-D416 IonicContact NH2-OD1 2.72Å; R214-D416 PolarHBondContact NH2-OD1 3Å; R214-D416 IonicContact NH2-OD2 3.31Å; R214-D416 PolarHBondContact NH2-OD2 2.99Å
215R77.4Confident84.8Confident230 Ų23064.8 Ų64.887%0.86831%0.306SS*.  trans-71.1-23.4178.8-57.1169.573.4-163.43.3111.6D213 M217D213-R215 WeakPolarHBondContact OD1-CB 3.32Å; D213-R215 WeakPolarHBondContact OD1-CG 3.29Å; D213-R215 PolarHBondContact OD1-N 3.32Å; R215-M217 PolarHBondContact O-N 2.92Å
216G62.8Low84.8Confident15 Ų1564 Ų6416%0.15530%0.295CS..SBendtrans-56.2126.1176.100000114.3R214R214-G216 PolarHBondContact O-N 2.92Å
217M55.8Low84.8Confident125 Ų12562.9 Ų62.962%0.61629%0.289SS*.THydrogen-bonded Turntrans24.5114.8159.5-123.3-167.1-159.300117R215R215-M217 PolarHBondContact O-N 2.92Å
218E60Low84.8Confident100 Ų10060.9 Ų60.947%0.46728%0.28SS..THydrogen-bonded Turntrans73.855.9175.3-154.7-179.8162.700113.4G220 I221 K246E218-G220 PolarHBondContact O-N 3.11Å; E218-I221 HydrophobicContact CG-CD1 4.32Å; E218-I221 WeakPolarHBondContact O-CG1 3.4Å; E218-I221 PolarHBondContact O-N 3.5Å; E218-I221 VanDerWaalsContact O-N 3.11Å; E218-K246 WeakPolarHBondContact OE2-CD 3.46Å; E218-K246 WeakPolarHBondContact OE2-CE 3.12Å; E218-K246 IonicContact OE2-NZ 2.78Å; E218-K246 PolarHBondContact OE2-NZ 2.88Å
219K64.1Low84.7Confident216 Ų21662.4 Ų62.494%0.93929%0.287SS*.THydrogen-bonded Turntrans49.336.8167.5-59-175.4179.6-178.70114.8
220G66.7Low84.6Confident22 Ų2262.3 Ų62.323%0.22729%0.288CS..THydrogen-bonded Turntrans81.48174.800000116.4R214 E218 Y222R214-G220 WeakPolarHBondContact O-CA 3.23Å; R214-G220 PolarHBondContact O-N 2.76Å; E218-G220 PolarHBondContact O-N 3.11Å; G220-Y222 VanDerWaalsContact C-N 3.33Å
221I76.4Confident84.2Confident110 Ų11066.6 Ų66.656%0.56431%0.307SS*.THydrogen-bonded Turntrans-68.4-33.4176.8-59.3173.8000111.5E218 P223E218-I221 HydrophobicContact CG-CD1 4.32Å; E218-I221 WeakPolarHBondContact O-CG1 3.4Å; E218-I221 PolarHBondContact O-N 3.5Å; E218-I221 VanDerWaalsContact O-N 3.11Å; I221-P223 VanDerWaalsContact C-CD 3.49Å; I221-P223 WeakPolarHBondContact O-CD 3.39Å
222Y85.6Confident83.7Confident53 Ų5374.3 Ų74.321%0.20834%0.34CS..SBendtrans-123.169.2-179.1-59.9-86.6000111G220 R243 K244 K246G220-Y222 VanDerWaalsContact C-N 3.33Å; Y222-R243 PolarHBondContact O-NE 2.86Å; Y222-R243 PolarHBondContact O-NH2 2.93Å; Y222-K244 HydrophobicContact CD1-CB 4.25Å; Y222-K244 HydrophobicContact CD1-CG 4.3Å; Y222-K246 HydrophobicContact CD1-CG 4.24Å; Y222-K246 HydrophobicContact CD2-CD 4.27Å; Y222-K246 HydrophobicContact CD2-CG 3.97Å; Y222-K246 HydrophobicContact CE1-CG 4.25Å; Y222-K246 HydrophobicContact CE2-CD 4.33Å; Y222-K246 HydrophobicContact CE2-CG 3.98Å; Y222-K246 HydrophobicContact CG-CG 4.11Å
223P90.9Very high83.4Confident19 Ų1976.8 Ų76.812%0.12336%0.357CS..  trans-65.6152.2-176.428.7-35.1000112R212 D213 R214 I221 Y225R212-P223 HydrophobicContact CG-CB 3.86Å; R212-P223 HydrophobicContact CG-CG 4.26Å; D213-P223 CarbonylContact O-C 3.57Å; D213-P223 WeakPolarHBondContact O-CA 3.46Å; D213-P223 WeakPolarHBondContact O-CB 3.47Å; R214-P223 HydrophobicContact CG-CB 4.49Å; I221-P223 VanDerWaalsContact C-CD 3.49Å; I221-P223 WeakPolarHBondContact O-CD 3.39Å; P223-Y225 HydrophobicContact CB-CE2 4.47Å; P223-Y225 HydrophobicContact CG-CE2 3.93Å
224T93.3Very high83Confident8 Ų877.4 Ų77.45%0.04938%0.375CS..EExtended strand (participates in β ladder)trans-92.2140.4171.7-51.80000109.2R212 D213 Y226 A241 R243 L262R212-T224 CarbonylContact C-O 3.58Å; R212-T224 WeakPolarHBondContact CA-O 3.47Å; D213-T224 PolarHBondContact N-O 3Å; D213-T224 PolarHBondContact O-N 2.85Å; T224-Y226 HydrophobicContact CG2-CD1 4.34Å; T224-Y226 HydrophobicContact CG2-CD2 4.39Å; T224-Y226 HydrophobicContact CG2-CE1 3.73Å; T224-Y226 HydrophobicContact CG2-CE2 3.79Å; T224-Y226 VanDerWaalsContact CG2-CZ 3.42Å; T224-A241 HydrophobicContact CG2-CB 4.43Å; T224-R243 WeakPolarHBondContact OG1-CD 3.04Å; T224-L262 HydrophobicContact CG2-CD1 3.63Å
225Y95.8Very high83.1Confident9 Ų977.7 Ų77.74%0.03538%0.379CS..EExtended strand (participates in β ladder)trans-111.4136.9174.9-62.2-99.9000108.5V210 T211 R212 P223 A241 G242 Y253 L436 F439V210-Y225 HydrophobicContact CG1-CD1 4.24Å; T211-Y225 CarbonylContact O-C 3.59Å; T211-Y225 VanDerWaalsContact O-CA 3.32Å; T211-Y225 WeakPolarHBondContact O-CA 3.39Å; R212-Y225 HydrophobicContact CB-CD1 3.99Å; R212-Y225 HydrophobicContact CB-CE1 3.93Å; R212-Y225 VanDerWaalsContact CD-CE1 3.42Å; R212-Y225 VanDerWaalsContact CD-OH 3.31Å; R212-Y225 WeakPolarHBondContact CD-OH 3.32Å; R212-Y225 HydrophobicContact CG-CD1 4.02Å; R212-Y225 HydrophobicContact CG-CE1 3.6Å; R212-Y225 HydrophobicContact CG-CE2 4.49Å; P223-Y225 HydrophobicContact CB-CE2 4.47Å; P223-Y225 HydrophobicContact CG-CE2 3.93Å; Y225-A241 CarbonylContact O-C 3.57Å; Y225-A241 VanDerWaalsContact O-CA 3.24Å; Y225-A241 WeakPolarHBondContact O-CA 3.31Å; Y225-G242 PolarHBondContact N-O 3.12Å; Y225-G242 PolarHBondContact O-N 3.18Å; Y225-Y253 HydrophobicContact CE2-CE1 4.2Å; Y225-L436 HydrophobicContact CD1-CD2 4.1Å; Y225-L436 HydrophobicContact CD2-CD2 3.58Å; Y225-L436 HydrophobicContact CE2-CD2 4.2Å; Y225-L436 HydrophobicContact CG-CD2 3.55Å; Y225-F439 AromaticContact CD1-CD2 3.9Å; Y225-F439 HydrophobicContact CD1-CD2 3.9Å; Y225-F439 AromaticContact CD1-CE2 3.76Å; Y225-F439 HydrophobicContact CD1-CE2 3.76Å; Y225-F439 HydrophobicContact CD1-CG 4.46Å; Y225-F439 HydrophobicContact CD1-CZ 4.23Å; Y225-F439 HydrophobicContact CE1-CB 4.16Å; Y225-F439 AromaticContact CE1-CD1 3.74Å; Y225-F439 HydrophobicContact CE1-CD1 3.74Å; Y225-F439 AromaticContact CE1-CD2 3.32Å; Y225-F439 HydrophobicContact CE1-CD2 3.32Å; Y225-F439 AromaticContact CE1-CE1 3.88Å; Y225-F439 HydrophobicContact CE1-CE1 3.88Å; Y225-F439 AromaticContact CE1-CE2 3.45Å; Y225-F439 HydrophobicContact CE1-CE2 3.45Å; Y225-F439 VanDerWaalsContact CE1-CE2 3.45Å; Y225-F439 AromaticContact CE1-CG 3.46Å; Y225-F439 HydrophobicContact CE1-CG 3.46Å; Y225-F439 VanDerWaalsContact CE1-CG 3.46Å; Y225-F439 AromaticContact CE1-CZ 3.74Å; Y225-F439 HydrophobicContact CE1-CZ 3.74Å; Y225-F439 AromaticContact CZ-CD2 3.99Å; Y225-F439 AromaticContact CZ-CG 3.79Å; Y225-F439 WeakPolarHBondContact OH-CB 3.47Å
226Y97.1Very high83.8Confident54 Ų5473.5 Ų73.521%0.21236%0.363CS..EExtended strand (participates in β ladder)trans-123.8124.8177.8-54.5-86.7000110.1V210 T211 D213 T224 F238 A241 P259V210-Y226 WeakPolarHBondContact CA-O 3.38Å; T211-Y226 PolarHBondContact N-O 3.2Å; T211-Y226 PolarHBondContact O-N 3.4Å; D213-Y226 HydrophobicContact CB-CE2 3.8Å; T224-Y226 HydrophobicContact CG2-CD1 4.34Å; T224-Y226 HydrophobicContact CG2-CD2 4.39Å; T224-Y226 HydrophobicContact CG2-CE1 3.73Å; T224-Y226 HydrophobicContact CG2-CE2 3.79Å; T224-Y226 VanDerWaalsContact CG2-CZ 3.42Å; Y226-F238 AromaticContact CD1-CE2 3.93Å; Y226-F238 HydrophobicContact CD1-CE2 3.93Å; Y226-A241 HydrophobicContact CD1-CB 3.76Å; Y226-A241 HydrophobicContact CE1-CB 4Å; Y226-P259 HydrophobicContact CD1-CB 4.19Å; Y226-P259 HydrophobicContact CE1-CB 3.94Å; Y226-P259 WeakPolarHBondContact CE1-O 3.42Å
227L97.8Very high85.3Confident0 Ų074.2 Ų74.20%037%0.365CS..EExtended strand (participates in β ladder)trans-92.2131.3173.4-175.370.3000110.1C208 V210 F238 L239 M240 M420 A428 F432C208-L227 HydrophobicContact CB-CD1 3.65Å; C208-L227 HydrophobicContact CB-CG 4.4Å; V210-L227 HydrophobicContact CG2-CD1 3.57Å; L227-F238 WeakPolarHBondContact O-CD2 3.32Å; L227-L239 HydrophobicContact CB-CB 4.45Å; L227-L239 HydrophobicContact CD2-CB 4.01Å; L227-L239 HydrophobicContact CD2-CD1 3.72Å; L227-L239 HydrophobicContact CD2-CG 4.5Å; L227-L239 HydrophobicContact CG-CB 4.22Å; L227-L239 HydrophobicContact CG-CD1 4.09Å; L227-L239 PolarHBondContact O-N 2.78Å; L227-M240 HydrophobicContact CB-CG 3.8Å; L227-M240 HydrophobicContact CD2-CE 4.18Å; L227-M240 HydrophobicContact CD2-CG 3.8Å; L227-M240 HydrophobicContact CD2-SD 4.01Å; L227-M240 HydrophobicContact CG-CG 4.44Å; L227-M240 PolarHBondContact N-O 3.01Å; L227-M420 HydrophobicContact CD1-CE 3.53Å; L227-M420 HydrophobicContact CD1-SD 3.88Å; L227-M420 HydrophobicContact CD2-CE 4.17Å; L227-A428 HydrophobicContact CD2-CB 4.26Å; L227-F432 HydrophobicContact CB-CD2 3.93Å; L227-F432 HydrophobicContact CB-CE2 3.96Å; L227-F432 HydrophobicContact CB-CG 4.34Å; L227-F432 HydrophobicContact CB-CZ 4.37Å; L227-F432 HydrophobicContact CD1-CD2 4.21Å; L227-F432 HydrophobicContact CD2-CB 4.14Å; L227-F432 HydrophobicContact CD2-CD2 4.47Å; L227-F432 HydrophobicContact CD2-CG 4.33Å; L227-F432 HydrophobicContact CG-CD2 4.43Å
228H97Very high87.1Confident45 Ų4570.3 Ų70.321%0.20834%0.344CS..EExtended strand (participates in β ladder)trans-129.3134.1171.9-55.875000110C208 R209 R236 V237 F238C208-H228 CarbonylContact C-O 3.48Å; C208-H228 WeakPolarHBondContact CA-O 3.3Å; C208-H228 VanDerWaalsContact CB-O 3.27Å; C208-H228 WeakPolarHBondContact CB-O 3.4Å; R209-H228 PolarHBondContact N-O 2.93Å; R209-H228 PolarHBondContact O-N 3.14Å; H228-R236 HydrophobicContact CB-CB 4.2Å; H228-V237 CarbonylContact C-O 3.39Å; H228-V237 WeakPolarHBondContact CA-O 3.39Å; H228-F238 AromaticContact NE2-CD2 3.93Å
229M95.8Very high88.8Confident31 Ų3165.7 Ų65.715%0.15332%0.322CS..EExtended strand (participates in β ladder)trans-71.8138.3165.6-173.4169.758.100109.8F195 I206 R236 V237 L239F195-M229 HydrophobicContact CE1-SD 4.44Å; F195-M229 HydrophobicContact CE2-SD 4.09Å; F195-M229 HydrophobicContact CZ-CE 4.41Å; F195-M229 HydrophobicContact CZ-SD 3.59Å; F195-M229 VanDerWaalsContact CZ-SD 3.59Å; I206-M229 HydrophobicContact CG2-CG 4.26Å; I206-M229 HydrophobicContact CG2-SD 4.11Å; M229-R236 VanDerWaalsContact O-CA 3.29Å; M229-R236 WeakPolarHBondContact O-CA 3.26Å; M229-V237 HydrophobicContact CE-CB 4.45Å; M229-V237 PolarHBondContact N-O 2.98Å; M229-V237 PolarHBondContact O-N 3.23Å; M229-L239 HydrophobicContact CB-CD1 4.03Å; M229-L239 HydrophobicContact CB-CD2 4.32Å; M229-L239 HydrophobicContact CB-CG 4.17Å
230E94.5Very high90.3Very high36 Ų3655.4 Ų55.417%0.16828%0.278CS..EExtended strand (participates in β ladder)trans-96.9122.8172.4-54.9-164.9118.100108.8Q207 R209 R236 R386Q207-E230 PolarHBondContact O-N 2.95Å; R209-E230 HydrophobicContact CB-CG 4Å; R209-E230 WeakPolarHBondContact CD-OE1 3.46Å; E230-R236 HydrophobicContact CG-CG 4.35Å; E230-R236 IonicContact OE1-CZ 3.24Å; E230-R236 VanDerWaalsContact OE1-CZ 3.24Å; E230-R236 IonicContact OE1-NE 2.89Å; E230-R236 PolarHBondContact OE1-NE 2.96Å; E230-R236 IonicContact OE1-NH2 2.72Å; E230-R236 PolarHBondContact OE1-NH2 3.43Å; E230-R386 IonicContact OE2-CZ 3.32Å; E230-R386 VanDerWaalsContact OE2-CZ 3.32Å; E230-R386 IonicContact OE2-NH1 2.83Å; E230-R386 PolarHBondContact OE2-NH1 3.25Å; E230-R386 IonicContact OE2-NH2 2.86Å; E230-R386 PolarHBondContact OE2-NH2 2.66Å
231K90.5Very high91.8Very high90 Ų9054.3 Ų54.339%0.39127%0.267SS..PPolyproline II helixtrans-91.4159.2174.2-72-168.5167.9-168.70111.1D233 G234 K235 V237K231-D233 PolarHBondContact O-N 3.12Å; K231-G234 WeakPolarHBondContact O-CA 3.31Å; K231-G234 PolarHBondContact O-N 3.06Å; K231-K235 PolarHBondContact N-O 2.86Å; K231-V237 HydrophobicContact CD-CG2 4.24Å
232E85.7Confident92.7Very high206 Ų20649.1 Ų49.196%0.96324%0.24SC*.THydrogen-bonded Turntrans-57.7-35.3176.4-59.4-174.6169.600112.4G234E232-G234 PolarHBondContact O-N 2.68Å
233D86.7Confident93.1Very high101 Ų10148.8 Ų48.854%0.5424%0.239SC..THydrogen-bonded Turntrans-54.7-7.3169.1-53.89.5000115.2K231 K235K231-D233 PolarHBondContact O-N 3.12Å; D233-K235 HydrophobicContact CB-CB 4.14Å; D233-K235 HydrophobicContact CB-CD 3.95Å; D233-K235 HydrophobicContact CB-CG 3.79Å; D233-K235 PolarHBondContact O-N 3.36Å; D233-K235 VanDerWaalsContact O-N 3.16Å; D233-K235 WeakPolarHBondContact OD2-CD 3.49Å; D233-K235 WeakPolarHBondContact OD2-CE 3.44Å; D233-K235 IonicContact OD2-NZ 2.78Å; D233-K235 PolarHBondContact OD2-NZ 3.3Å
234G82.9Confident93.1Very high62 Ų6250.4 Ų50.464%0.63924%0.244SC*.SBendtrans72.9-6.3-166.400000114.4K231 E232K231-G234 WeakPolarHBondContact O-CA 3.31Å; K231-G234 PolarHBondContact O-N 3.06Å; E232-G234 PolarHBondContact O-N 2.68Å
235K89.2Confident93Very high100 Ų10055.1 Ų55.144%0.43526%0.26SS..  trans-66.7150.2173.9-63.5175.7-164.6145.60110.5T184 K231 D233T184-K235 HydrophobicContact CG2-CD 3.94Å; K231-K235 PolarHBondContact N-O 2.86Å; D233-K235 HydrophobicContact CB-CB 4.14Å; D233-K235 HydrophobicContact CB-CD 3.95Å; D233-K235 HydrophobicContact CB-CG 3.79Å; D233-K235 PolarHBondContact O-N 3.36Å; D233-K235 VanDerWaalsContact O-N 3.16Å; D233-K235 WeakPolarHBondContact OD2-CD 3.49Å; D233-K235 WeakPolarHBondContact OD2-CE 3.44Å; D233-K235 IonicContact OD2-NZ 2.78Å; D233-K235 PolarHBondContact OD2-NZ 3.3Å
236R91.3Very high92.4Very high142 Ų14257.9 Ų57.954%0.53627%0.273SS..EExtended strand (participates in β ladder)trans-116.5135.5175.7-68.8-170178.11096.2111H228 M229 E230H228-R236 HydrophobicContact CB-CB 4.2Å; M229-R236 VanDerWaalsContact O-CA 3.29Å; M229-R236 WeakPolarHBondContact O-CA 3.26Å; E230-R236 HydrophobicContact CG-CG 4.35Å; E230-R236 IonicContact OE1-CZ 3.24Å; E230-R236 VanDerWaalsContact OE1-CZ 3.24Å; E230-R236 IonicContact OE1-NE 2.89Å; E230-R236 PolarHBondContact OE1-NE 2.96Å; E230-R236 IonicContact OE1-NH2 2.72Å; E230-R236 PolarHBondContact OE1-NH2 3.43Å
237V93.2Very high91.8Very high30 Ų3065.6 Ų65.618%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-111.2123.6174.6-179.70000108.1M187 H228 M229 K231M187-V237 HydrophobicContact SD-CG1 3.87Å; H228-V237 CarbonylContact C-O 3.39Å; H228-V237 WeakPolarHBondContact CA-O 3.39Å; M229-V237 HydrophobicContact CE-CB 4.45Å; M229-V237 PolarHBondContact N-O 2.98Å; M229-V237 PolarHBondContact O-N 3.23Å; K231-V237 HydrophobicContact CD-CG2 4.24Å
238F94.9Very high91.2Very high43 Ų4368.2 Ų68.219%0.18933%0.325CS..EExtended strand (participates in β ladder)trans-65138.7173.8172.8-102.7000110.5L192 Y226 L227 H228 M240 A241 I257 P259L192-F238 WeakPolarHBondContact CD2-O 3.39Å; Y226-F238 AromaticContact CD1-CE2 3.93Å; Y226-F238 HydrophobicContact CD1-CE2 3.93Å; L227-F238 WeakPolarHBondContact O-CD2 3.32Å; H228-F238 AromaticContact NE2-CD2 3.93Å; F238-M240 VanDerWaalsContact CE2-O 3.31Å; F238-M240 WeakPolarHBondContact CE2-O 3.37Å; F238-A241 HydrophobicContact CE2-CB 4.27Å; F238-A241 HydrophobicContact CZ-CB 4.01Å; F238-I257 WeakPolarHBondContact CE1-O 3.35Å; F238-P259 HydrophobicContact CE1-CB 4.07Å; F238-P259 HydrophobicContact CE1-CG 4.17Å; F238-P259 HydrophobicContact CE2-CB 4.08Å; F238-P259 HydrophobicContact CZ-CB 3.72Å; F238-P259 HydrophobicContact CZ-CG 4.32Å
239L95.4Very high90.6Very high2 Ų276.3 Ų76.31%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-114.5-51.1179.4-66.4-177.1000112.7L192 F195 L227 M229 A428L192-L239 HydrophobicContact CD2-CD2 4.25Å; F195-L239 HydrophobicContact CD1-CD1 4.2Å; F195-L239 HydrophobicContact CD1-CD2 3.67Å; F195-L239 HydrophobicContact CE1-CD1 3.66Å; F195-L239 HydrophobicContact CE1-CD2 3.72Å; F195-L239 HydrophobicContact CE1-CG 4.35Å; F195-L239 HydrophobicContact CG-CD2 4.48Å; L227-L239 HydrophobicContact CB-CB 4.45Å; L227-L239 HydrophobicContact CD2-CB 4.01Å; L227-L239 HydrophobicContact CD2-CD1 3.72Å; L227-L239 HydrophobicContact CD2-CG 4.5Å; L227-L239 HydrophobicContact CG-CB 4.22Å; L227-L239 HydrophobicContact CG-CD1 4.09Å; L227-L239 PolarHBondContact O-N 2.78Å; M229-L239 HydrophobicContact CB-CD1 4.03Å; M229-L239 HydrophobicContact CB-CD2 4.32Å; M229-L239 HydrophobicContact CB-CG 4.17Å; L239-A428 HydrophobicContact CD1-CB 4.39Å
240M96.5Very high90.3Very high0 Ų076.5 Ų76.50%036%0.363CS..EExtended strand (participates in β ladder)trans-164.4152.2-174.957.8-171.974.500112A196 L227 F238 I255 S256 I270 A428 L429 F432A196-M240 HydrophobicContact CB-CE 3.46Å; A196-M240 VanDerWaalsContact CB-CE 3.46Å; L227-M240 HydrophobicContact CB-CG 3.8Å; L227-M240 HydrophobicContact CD2-CE 4.18Å; L227-M240 HydrophobicContact CD2-CG 3.8Å; L227-M240 HydrophobicContact CD2-SD 4.01Å; L227-M240 HydrophobicContact CG-CG 4.44Å; L227-M240 PolarHBondContact N-O 3.01Å; F238-M240 VanDerWaalsContact CE2-O 3.31Å; F238-M240 WeakPolarHBondContact CE2-O 3.37Å; M240-I255 HydrophobicContact CB-CG2 4.17Å; M240-I255 HydrophobicContact CG-CG2 4.26Å; M240-I255 HydrophobicContact SD-CG2 3.83Å; M240-S256 CarbonylContact C-O 3.55Å; M240-S256 WeakPolarHBondContact CA-O 3.35Å; M240-S256 WeakPolarHBondContact CB-O 3.41Å; M240-I270 HydrophobicContact CB-CD1 4.4Å; M240-I270 HydrophobicContact CE-CD1 4.07Å; M240-I270 HydrophobicContact SD-CD1 4.32Å; M240-A428 HydrophobicContact CE-CB 3.74Å; M240-L429 HydrophobicContact CE-CB 4.39Å; M240-L429 HydrophobicContact SD-CD1 4.24Å; M240-F432 HydrophobicContact CG-CD1 3.68Å; M240-F432 HydrophobicContact CG-CE1 3.92Å; M240-F432 HydrophobicContact CG-CG 4.25Å; M240-F432 HydrophobicContact SD-CB 3.88Å; M240-F432 HydrophobicContact SD-CD1 3.5Å; M240-F432 WeakPolarHBondContact SD-CD1 3.36Å; M240-F432 HydrophobicContact SD-CE1 4.3Å; M240-F432 HydrophobicContact SD-CG 3.97Å
241A96.7Very high90.1Very high0 Ų075.6 Ų75.60%036%0.36CS..EExtended strand (participates in β ladder)trans-108.9148.7170.600000110.5T224 Y225 Y226 F238 I255 S256 L262T224-A241 HydrophobicContact CG2-CB 4.43Å; Y225-A241 CarbonylContact O-C 3.57Å; Y225-A241 VanDerWaalsContact O-CA 3.24Å; Y225-A241 WeakPolarHBondContact O-CA 3.31Å; Y226-A241 HydrophobicContact CD1-CB 3.76Å; Y226-A241 HydrophobicContact CE1-CB 4Å; F238-A241 HydrophobicContact CE2-CB 4.27Å; F238-A241 HydrophobicContact CZ-CB 4.01Å; A241-I255 CarbonylContact O-C 3.53Å; A241-I255 VanDerWaalsContact O-CA 3.31Å; A241-I255 WeakPolarHBondContact O-CA 3.23Å; A241-S256 PolarHBondContact N-O 2.76Å; A241-S256 PolarHBondContact O-N 2.91Å; A241-L262 HydrophobicContact CB-CD1 4.25Å; A241-L262 HydrophobicContact CB-CD2 3.99Å; A241-L262 HydrophobicContact CB-CG 4.42Å
242G95.8Very high90.3Very high0 Ų072.2 Ų72.20%035%0.347CS..EExtended strand (participates in β ladder)trans-136.5134-179.300000111.4Y225 L254Y225-G242 PolarHBondContact N-O 3.12Å; Y225-G242 PolarHBondContact O-N 3.18Å; G242-L254 CarbonylContact C-O 3.53Å; G242-L254 WeakPolarHBondContact CA-O 3.5Å
243R93.3Very high90.7Very high47 Ų4762.8 Ų62.818%0.17730%0.302CS..EExtended strand (participates in β ladder)trans-148134.9-176.2-167.2174-171.2-144.3-6.4113.9Y222 T224 Y253 L254 L262Y222-R243 PolarHBondContact O-NE 2.86Å; Y222-R243 PolarHBondContact O-NH2 2.93Å; T224-R243 WeakPolarHBondContact OG1-CD 3.04Å; R243-Y253 VanDerWaalsContact O-CA 3.25Å; R243-Y253 WeakPolarHBondContact O-CA 3.34Å; R243-L254 PolarHBondContact N-O 3.44Å; R243-L254 PolarHBondContact O-N 2.88Å; R243-L262 HydrophobicContact CB-CB 4.49Å; R243-L262 HydrophobicContact CB-CD1 3.98Å; R243-L262 HydrophobicContact CB-CD2 4.12Å; R243-L262 HydrophobicContact CB-CG 4.44Å
244K92.3Very high91.1Very high53 Ų5358.3 Ų58.323%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-69.7126175.4-166.9172.6-174.3170.40110.7Y222 S251 N252 Y253 D440Y222-K244 HydrophobicContact CD1-CB 4.25Å; Y222-K244 HydrophobicContact CD1-CG 4.3Å; K244-S251 VanDerWaalsContact CE-OG 3.25Å; K244-S251 WeakPolarHBondContact CE-OG 3.23Å; K244-S251 PolarHBondContact NZ-OG 2.82Å; K244-N252 CarbonylContact C-O 3.58Å; K244-N252 WeakPolarHBondContact CA-O 3.14Å; K244-Y253 HydrophobicContact CB-CD1 3.93Å; K244-Y253 HydrophobicContact CB-CD2 4.32Å; K244-Y253 HydrophobicContact CB-CE1 3.76Å; K244-Y253 HydrophobicContact CB-CE2 4.14Å; K244-Y253 HydrophobicContact CB-CG 4.2Å; K244-Y253 HydrophobicContact CD-CE2 4.03Å; K244-Y253 HydrophobicContact CG-CD2 4.28Å; K244-Y253 HydrophobicContact CG-CE1 4.49Å; K244-Y253 HydrophobicContact CG-CE2 3.98Å; K244-D440 IonicContact NZ-OD1 3.58Å; K244-D440 PolarHBondContact NZ-OD1 3.1Å
245R89.8Confident91.8Very high106 Ų10655.3 Ų55.340%0.425%0.248SC..PPolyproline II helixtrans-71144.5176.4-62-17476.3166.82.6111.4N252 L254R245-N252 HydrophobicContact CB-CB 4.49Å; R245-N252 WeakPolarHBondContact CD-OD1 3.13Å; R245-N252 PolarHBondContact N-O 2.99Å; R245-L254 HydrophobicContact CG-CD1 4Å; R245-L254 HydrophobicContact CG-CG 3.82Å
246K84.8Confident92.1Very high68 Ų6850.6 Ų50.630%0.29623%0.227SC..SBendtrans-76.3166.3168.7-53-171.1-179.2-167.80111E218 Y222 C248E218-K246 WeakPolarHBondContact OE2-CD 3.46Å; E218-K246 WeakPolarHBondContact OE2-CE 3.12Å; E218-K246 IonicContact OE2-NZ 2.78Å; E218-K246 PolarHBondContact OE2-NZ 2.88Å; Y222-K246 HydrophobicContact CD1-CG 4.24Å; Y222-K246 HydrophobicContact CD2-CD 4.27Å; Y222-K246 HydrophobicContact CD2-CG 3.97Å; Y222-K246 HydrophobicContact CE1-CG 4.25Å; Y222-K246 HydrophobicContact CE2-CD 4.33Å; Y222-K246 HydrophobicContact CE2-CG 3.98Å; Y222-K246 HydrophobicContact CG-CG 4.11Å; K246-C248 PolarHBondContact O-N 2.88Å; K246-C248 VanDerWaalsContact O-N 3.11Å; K246-C248 PolarHBondContact O-SG 2.89Å; K246-C248 VanDerWaalsContact O-SG 3.32Å
247K83.4Confident92.2Very high216 Ų21644.4 Ų44.494%0.93920%0.204SC*.SBendtrans55.126.5171.7-55.2-173.9179.3-176.20115.4
248C85.2Confident92.1Very high55 Ų5545.1 Ų45.137%0.37221%0.207SC..  trans-103.1135.9177.8-65.30000111.4K246 T250 N252K246-C248 PolarHBondContact O-N 2.88Å; K246-C248 VanDerWaalsContact O-N 3.11Å; K246-C248 PolarHBondContact O-SG 2.89Å; K246-C248 VanDerWaalsContact O-SG 3.32Å; C248-T250 WeakPolarHBondContact CB-O 3.41Å; C248-T250 PolarHBondContact O-N 3.15Å; C248-N252 HydrophobicContact CB-CB 4.26Å
249K84.6Confident91.8Very high214 Ų21445.7 Ų45.793%0.9322%0.215SC*.SBendtrans-67.4-13.2175.4-65.8-171.9178.5-175.40114.2
250T89.3Confident91.3Very high36 Ų3651.3 Ų51.322%0.22125%0.25CS..SBendtrans-138158.3-18039.40000108C248 N252 V277C248-T250 WeakPolarHBondContact CB-O 3.41Å; C248-T250 PolarHBondContact O-N 3.15Å; T250-N252 PolarHBondContact O-N 3.28Å; T250-V277 HydrophobicContact CG2-CG2 4.12Å
251S90.8Very high90.7Very high16 Ų1653.8 Ų53.811%0.11226%0.263CS..  trans-65.9123.1174.6-63.40000109.9K244 R274 S275 D440K244-S251 VanDerWaalsContact CE-OG 3.25Å; K244-S251 WeakPolarHBondContact CE-OG 3.23Å; K244-S251 PolarHBondContact NZ-OG 2.82Å; S251-R274 CarbonylContact O-C 3.54Å; S251-R274 WeakPolarHBondContact O-CA 3.26Å; S251-S275 WeakPolarHBondContact CB-OG 3.27Å; S251-S275 PolarHBondContact N-OG 3.45Å; S251-S275 PolarHBondContact O-N 2.98Å; S251-D440 WeakPolarHBondContact CB-OD2 3.33Å; S251-D440 PolarHBondContact OG-OD1 3Å; S251-D440 PolarHBondContact OG-OD2 3.02Å
252N93.8Very high89.9Confident20 Ų2055.4 Ų55.411%0.10727%0.272CS..EExtended strand (participates in β ladder)trans-135.8115.5-176.2-167.2-79.1000107.4K244 R245 C248 T250 L273K244-N252 CarbonylContact C-O 3.58Å; K244-N252 WeakPolarHBondContact CA-O 3.14Å; R245-N252 HydrophobicContact CB-CB 4.49Å; R245-N252 WeakPolarHBondContact CD-OD1 3.13Å; R245-N252 PolarHBondContact N-O 2.99Å; C248-N252 HydrophobicContact CB-CB 4.26Å; T250-N252 PolarHBondContact O-N 3.28Å; N252-L273 CarbonylContact C-O 3.47Å; N252-L273 WeakPolarHBondContact CA-O 3.34Å
253Y95.3Very high89.2Confident7 Ų758.8 Ų58.83%0.02729%0.292CS..EExtended strand (participates in β ladder)trans-108.7134.6175.2-63-120000108.7Y225 R243 K244 K272 L273 L436Y225-Y253 HydrophobicContact CE2-CE1 4.2Å; R243-Y253 VanDerWaalsContact O-CA 3.25Å; R243-Y253 WeakPolarHBondContact O-CA 3.34Å; K244-Y253 HydrophobicContact CB-CD1 3.93Å; K244-Y253 HydrophobicContact CB-CD2 4.32Å; K244-Y253 HydrophobicContact CB-CE1 3.76Å; K244-Y253 HydrophobicContact CB-CE2 4.14Å; K244-Y253 HydrophobicContact CB-CG 4.2Å; K244-Y253 HydrophobicContact CD-CE2 4.03Å; K244-Y253 HydrophobicContact CG-CD2 4.28Å; K244-Y253 HydrophobicContact CG-CE1 4.49Å; K244-Y253 HydrophobicContact CG-CE2 3.98Å; Y253-K272 VanDerWaalsContact O-CA 3.3Å; Y253-K272 WeakPolarHBondContact O-CA 3.19Å; Y253-L273 HydrophobicContact CD2-CD2 3.93Å; Y253-L273 HydrophobicContact CE2-CD2 4.33Å; Y253-L273 HydrophobicContact CG-CD2 4.41Å; Y253-L273 PolarHBondContact N-O 2.97Å; Y253-L273 PolarHBondContact O-N 3.49Å; Y253-L436 HydrophobicContact CD1-CB 4.3Å; Y253-L436 HydrophobicContact CD1-CD1 4.17Å; Y253-L436 HydrophobicContact CD1-CD2 3.94Å; Y253-L436 HydrophobicContact CD1-CG 4.37Å; Y253-L436 HydrophobicContact CE1-CB 4.4Å; Y253-L436 HydrophobicContact CE1-CD2 4.01Å
254L95.4Very high88.5Confident7 Ų760 Ų604%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-91.1143.8164.5-60.6175.5000108.4G242 R243 R245 L262 R264 Y269G242-L254 CarbonylContact C-O 3.53Å; G242-L254 WeakPolarHBondContact CA-O 3.5Å; R243-L254 PolarHBondContact N-O 3.44Å; R243-L254 PolarHBondContact O-N 2.88Å; R245-L254 HydrophobicContact CG-CD1 4Å; R245-L254 HydrophobicContact CG-CG 3.82Å; L254-L262 WeakPolarHBondContact CD1-O 3.4Å; L254-R264 HydrophobicContact CD1-CB 4.44Å; L254-Y269 HydrophobicContact CD2-CD2 4.09Å; L254-Y269 HydrophobicContact CD2-CE2 3.75Å
255I96.8Very high87.8Confident0 Ų064 Ų640%032%0.32CS..EExtended strand (participates in β ladder)trans-124.2131177.1-54.3172.8000107.6M240 A241 I270 G271 L429 F432 A433 L436M240-I255 HydrophobicContact CB-CG2 4.17Å; M240-I255 HydrophobicContact CG-CG2 4.26Å; M240-I255 HydrophobicContact SD-CG2 3.83Å; A241-I255 CarbonylContact O-C 3.53Å; A241-I255 VanDerWaalsContact O-CA 3.31Å; A241-I255 WeakPolarHBondContact O-CA 3.23Å; I255-I270 HydrophobicContact CG2-CD1 4.21Å; I255-I270 HydrophobicContact CG2-CG1 4.17Å; I255-I270 PolarHBondContact O-N 2.89Å; I255-I270 VanDerWaalsContact O-N 3.08Å; I255-G271 WeakPolarHBondContact CB-O 3.2Å; I255-G271 PolarHBondContact N-O 3.25Å; I255-G271 PolarHBondContact O-N 2.84Å; I255-L429 HydrophobicContact CB-CD1 4.02Å; I255-L429 HydrophobicContact CD1-CD1 3.64Å; I255-L429 HydrophobicContact CG1-CD1 4.43Å; I255-L429 HydrophobicContact CG2-CD1 3.63Å; I255-F432 HydrophobicContact CD1-CD1 4.29Å; I255-F432 HydrophobicContact CG1-CD1 4.48Å; I255-F432 HydrophobicContact CG2-CD1 3.89Å; I255-F432 HydrophobicContact CG2-CE1 4.02Å; I255-A433 HydrophobicContact CD1-CB 3.92Å; I255-L436 HydrophobicContact CD1-CD1 3.93Å; I255-L436 HydrophobicContact CG1-CD1 3.98Å
256S95.5Very high87.2Confident1 Ų159.8 Ų59.81%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-138.4147.4-170.7179.20000110.9M240 A241 D258 N261 C268M240-S256 CarbonylContact C-O 3.55Å; M240-S256 WeakPolarHBondContact CA-O 3.35Å; M240-S256 WeakPolarHBondContact CB-O 3.41Å; A241-S256 PolarHBondContact N-O 2.76Å; A241-S256 PolarHBondContact O-N 2.91Å; S256-D258 VanDerWaalsContact C-N 3.26Å; S256-D258 PolarHBondContact OG-N 3.19Å; S256-D258 VanDerWaalsContact OG-N 3.11Å; S256-D258 PolarHBondContact OG-O 3.35Å; S256-N261 VanDerWaalsContact CB-O 3.28Å; S256-N261 WeakPolarHBondContact CB-O 3.37Å; S256-N261 PolarHBondContact OG-O 3.43Å; S256-C268 CarbonylContact C-O 3.19Å; S256-C268 WeakPolarHBondContact CA-O 3.41Å; S256-C268 PolarHBondContact OG-O 3.02Å; S256-C268 PolarHBondContact OG-SG 3.47Å
257I94Very high87.1Confident11 Ų1164.5 Ų64.56%0.05634%0.337CS..SBendtrans-85.43.9170.158-174.7000113.1V189 L192 E193 F238 C268 I270V189-I257 HydrophobicContact CG1-CD1 3.43Å; V189-I257 VanDerWaalsContact CG1-CD1 3.43Å; V189-I257 HydrophobicContact CG1-CG1 4.17Å; V189-I257 WeakPolarHBondContact O-CD1 3.32Å; L192-I257 HydrophobicContact CB-CB 4.31Å; L192-I257 HydrophobicContact CB-CG2 4.23Å; E193-I257 HydrophobicContact CB-CD1 4.01Å; F238-I257 WeakPolarHBondContact CE1-O 3.35Å; I257-C268 HydrophobicContact CG1-CB 3.93Å; I257-C268 PolarHBondContact N-O 3.05Å; I257-I270 HydrophobicContact CD1-CG2 4.06Å; I257-I270 HydrophobicContact CG1-CG2 4.23Å; I257-I270 HydrophobicContact CG2-CD1 3.7Å; I257-I270 HydrophobicContact CG2-CG1 4.11Å; I257-I270 HydrophobicContact CG2-CG2 3.8Å
258D91.1Very high87.3Confident46 Ų4654.8 Ų54.825%0.24630%0.297CS..SBendtrans-105.2127169.3-176.3-30000109.4S256 T260 N261 C268S256-D258 VanDerWaalsContact C-N 3.26Å; S256-D258 PolarHBondContact OG-N 3.19Å; S256-D258 VanDerWaalsContact OG-N 3.11Å; S256-D258 PolarHBondContact OG-O 3.35Å; D258-T260 VanDerWaalsContact C-N 3.26Å; D258-T260 PolarHBondContact O-N 3Å; D258-T260 WeakPolarHBondContact OD1-CA 3.45Å; D258-T260 WeakPolarHBondContact OD1-CB 3.31Å; D258-T260 PolarHBondContact OD1-N 3.17Å; D258-T260 PolarHBondContact OD1-OG1 3.35Å; D258-N261 HydrophobicContact CB-CB 3.97Å; D258-N261 VanDerWaalsContact CG-CB 3.5Å; D258-N261 VanDerWaalsContact CG-N 3.34Å; D258-N261 PolarHBondContact OD1-N 2.88Å; D258-N261 WeakPolarHBondContact OD2-CB 3.49Å; D258-C268 HydrophobicContact CB-CB 3.65Å
259P87.9Confident87.6Confident54 Ų5453.1 Ų53.135%0.35128%0.283SS..SBendtrans-71.5-19178.629.6-34000113.7Y226 F238Y226-P259 HydrophobicContact CD1-CB 4.19Å; Y226-P259 HydrophobicContact CE1-CB 3.94Å; Y226-P259 WeakPolarHBondContact CE1-O 3.42Å; F238-P259 HydrophobicContact CE1-CB 4.07Å; F238-P259 HydrophobicContact CE1-CG 4.17Å; F238-P259 HydrophobicContact CE2-CB 4.08Å; F238-P259 HydrophobicContact CZ-CB 3.72Å; F238-P259 HydrophobicContact CZ-CG 4.32Å
260T84.5Confident88.1Confident121 Ų12143.1 Ų43.174%0.74224%0.239SC*.SBendtrans-98.3-42.2-179.572.20000112D258 L262D258-T260 VanDerWaalsContact C-N 3.26Å; D258-T260 PolarHBondContact O-N 3Å; D258-T260 WeakPolarHBondContact OD1-CA 3.45Å; D258-T260 WeakPolarHBondContact OD1-CB 3.31Å; D258-T260 PolarHBondContact OD1-N 3.17Å; D258-T260 PolarHBondContact OD1-OG1 3.35Å; T260-L262 PolarHBondContact O-N 2.91Å
261N84Confident88.4Confident52 Ų5241.4 Ų41.428%0.27823%0.228SC..  trans-96.1100.5-173.1-165.5-12.4000112.2S256 D258 T263 A266S256-N261 VanDerWaalsContact CB-O 3.28Å; S256-N261 WeakPolarHBondContact CB-O 3.37Å; S256-N261 PolarHBondContact OG-O 3.43Å; D258-N261 HydrophobicContact CB-CB 3.97Å; D258-N261 VanDerWaalsContact CG-CB 3.5Å; D258-N261 VanDerWaalsContact CG-N 3.34Å; D258-N261 PolarHBondContact OD1-N 2.88Å; D258-N261 WeakPolarHBondContact OD2-CB 3.49Å; N261-T263 WeakPolarHBondContact OD1-CG2 3.37Å; N261-T263 PolarHBondContact OD1-N 3.36Å; N261-T263 PolarHBondContact OD1-OG1 2.86Å; N261-A266 WeakPolarHBondContact ND2-CB 3.17Å
262L80.6Confident88.6Confident34 Ų3442 Ų4218%0.17823%0.229CC..  trans-11341.4179.4-74.2151.9000111.5T224 A241 R243 L254 T260T224-L262 HydrophobicContact CG2-CD1 3.63Å; A241-L262 HydrophobicContact CB-CD1 4.25Å; A241-L262 HydrophobicContact CB-CD2 3.99Å; A241-L262 HydrophobicContact CB-CG 4.42Å; R243-L262 HydrophobicContact CB-CB 4.49Å; R243-L262 HydrophobicContact CB-CD1 3.98Å; R243-L262 HydrophobicContact CB-CD2 4.12Å; R243-L262 HydrophobicContact CB-CG 4.44Å; L254-L262 WeakPolarHBondContact CD1-O 3.4Å; T260-L262 PolarHBondContact O-N 2.91Å
263T81.1Confident88.8Confident70 Ų7041 Ų4143%0.42922%0.224SC..  trans-93170.5171.364.50000111N261 A266N261-T263 WeakPolarHBondContact OD1-CG2 3.37Å; N261-T263 PolarHBondContact OD1-N 3.36Å; N261-T263 PolarHBondContact OD1-OG1 2.86Å; T263-A266 VanDerWaalsContact OG1-CB 3.32Å; T263-A266 WeakPolarHBondContact OG1-CB 3.29Å
264R78.1Confident88.8Confident74 Ų7445.4 Ų45.428%0.27924%0.241SC..SBendtrans-84.4-38.7174.9-176.6-165-178.6-136.4-1.9111L254 A266 Y269 E289L254-R264 HydrophobicContact CD1-CB 4.44Å; R264-A266 VanDerWaalsContact C-N 3.25Å; R264-A266 PolarHBondContact O-N 3.02Å; R264-Y269 HydrophobicContact CG-CD1 4.45Å; R264-Y269 WeakPolarHBondContact O-CB 3.18Å; R264-E289 IonicContact CZ-OE1 3.74Å; R264-E289 IonicContact CZ-OE2 2.69Å; R264-E289 IonicContact NH1-OE1 2.7Å; R264-E289 IonicContact NH1-OE2 3.6Å; R264-E289 IonicContact NH2-OE1 3.93Å; R264-E289 PolarHBondContact NH2-OE1 3.15Å; R264-E289 IonicContact NH2-OE2 3.79Å; R264-E289 PolarHBondContact NH2-OE2 2.83Å
265D77.1Confident88.7Confident135 Ų13545.5 Ų45.572%0.72224%0.241SC*.SBendtrans-9619.5-160.7-38.3-75.3000111.5
266A78.5Confident88.6Confident19 Ų1947.8 Ų47.816%0.15725%0.254CS..SBendtrans-108144.1173.800000110.5N261 T263 R264 C268 Y269N261-A266 WeakPolarHBondContact ND2-CB 3.17Å; T263-A266 VanDerWaalsContact OG1-CB 3.32Å; T263-A266 WeakPolarHBondContact OG1-CB 3.29Å; R264-A266 VanDerWaalsContact C-N 3.25Å; R264-A266 PolarHBondContact O-N 3.02Å; A266-C268 PolarHBondContact O-N 2.93Å; A266-Y269 WeakPolarHBondContact O-CB 3.35Å; A266-Y269 PolarHBondContact O-N 2.73Å
267N81.7Confident88.2Confident166 Ų16653.3 Ų53.389%0.88829%0.287SS*.THydrogen-bonded Turntrans-59.8-14.6-173.8-568.4000114.5
268C87.7Confident87.8Confident13 Ų1357.3 Ų57.39%0.08831%0.308CS..THydrogen-bonded Turntrans-85.1-4.5176.657.30000114.3S256 I257 D258 A266 I270S256-C268 CarbonylContact C-O 3.19Å; S256-C268 WeakPolarHBondContact CA-O 3.41Å; S256-C268 PolarHBondContact OG-O 3.02Å; S256-C268 PolarHBondContact OG-SG 3.47Å; I257-C268 HydrophobicContact CG1-CB 3.93Å; I257-C268 PolarHBondContact N-O 3.05Å; D258-C268 HydrophobicContact CB-CB 3.65Å; A266-C268 PolarHBondContact O-N 2.93Å; C268-I270 PolarHBondContact O-N 3.39Å
269Y92.4Very high87.7Confident20 Ų2055.3 Ų55.38%0.07830%0.298CS..EExtended strand (participates in β ladder)trans-72.7110.1176.5162.9-98.3000111.1L254 R264 A266 G271 K272 D286 G287L254-Y269 HydrophobicContact CD2-CD2 4.09Å; L254-Y269 HydrophobicContact CD2-CE2 3.75Å; R264-Y269 HydrophobicContact CG-CD1 4.45Å; R264-Y269 WeakPolarHBondContact O-CB 3.18Å; A266-Y269 WeakPolarHBondContact O-CB 3.35Å; A266-Y269 PolarHBondContact O-N 2.73Å; Y269-G271 WeakPolarHBondContact CE2-O 3.43Å; Y269-K272 HydrophobicContact CE2-CB 4.12Å; Y269-K272 VanDerWaalsContact OH-CB 3.29Å; Y269-K272 WeakPolarHBondContact OH-CB 3.19Å; Y269-K272 PolarHBondContact OH-NZ 2.81Å; Y269-D286 PolarHBondContact OH-O 2.88Å; Y269-G287 WeakPolarHBondContact CE1-O 3.31Å
270I94.1Very high87.8Confident3 Ų353.2 Ų53.22%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-106.5-16.7-176.957.9156.3000114.5E193 A196 M240 I255 I257 C268 D286 G287 L429E193-I270 HydrophobicContact CB-CG2 4.41Å; E193-I270 HydrophobicContact CG-CG2 4.02Å; A196-I270 HydrophobicContact CB-CD1 3.61Å; M240-I270 HydrophobicContact CB-CD1 4.4Å; M240-I270 HydrophobicContact CE-CD1 4.07Å; M240-I270 HydrophobicContact SD-CD1 4.32Å; I255-I270 HydrophobicContact CG2-CD1 4.21Å; I255-I270 HydrophobicContact CG2-CG1 4.17Å; I255-I270 PolarHBondContact O-N 2.89Å; I255-I270 VanDerWaalsContact O-N 3.08Å; I257-I270 HydrophobicContact CD1-CG2 4.06Å; I257-I270 HydrophobicContact CG1-CG2 4.23Å; I257-I270 HydrophobicContact CG2-CD1 3.7Å; I257-I270 HydrophobicContact CG2-CG1 4.11Å; I257-I270 HydrophobicContact CG2-CG2 3.8Å; C268-I270 PolarHBondContact O-N 3.39Å; I270-D286 CarbonylContact O-C 3.59Å; I270-G287 PolarHBondContact O-N 3.01Å; I270-G287 VanDerWaalsContact O-N 3.12Å; I270-L429 HydrophobicContact CD1-CD1 4.03Å; I270-L429 HydrophobicContact CD1-CD2 4.37Å; I270-L429 HydrophobicContact CG1-CD1 4.43Å
271G95.1Very high88.3Confident0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-177.3170.8-174.900000116.7I255 Y269 Y285I255-G271 WeakPolarHBondContact CB-O 3.2Å; I255-G271 PolarHBondContact N-O 3.25Å; I255-G271 PolarHBondContact O-N 2.84Å; Y269-G271 WeakPolarHBondContact CE2-O 3.43Å; G271-Y285 CarbonylContact C-O 3.46Å; G271-Y285 WeakPolarHBondContact CA-O 3.45Å
272K96Very high88.9Confident28 Ų2849.3 Ų49.312%0.12226%0.255CS..EExtended strand (participates in β ladder)trans-153.4120.4-165169.118064-82.30112.3Y253 Y269 V284 Y285Y253-K272 VanDerWaalsContact O-CA 3.3Å; Y253-K272 WeakPolarHBondContact O-CA 3.19Å; Y269-K272 HydrophobicContact CE2-CB 4.12Å; Y269-K272 VanDerWaalsContact OH-CB 3.29Å; Y269-K272 WeakPolarHBondContact OH-CB 3.19Å; Y269-K272 PolarHBondContact OH-NZ 2.81Å; K272-V284 WeakPolarHBondContact O-CA 3.17Å; K272-Y285 PolarHBondContact N-O 2.99Å; K272-Y285 PolarHBondContact O-N 2.98Å
273L97.3Very high89.7Confident0 Ų048.2 Ų48.20%025%0.25CC..EExtended strand (participates in β ladder)trans-93.2127.6169.9179.476000109.4N252 Y253 F282 V284 I310 A433 L436N252-L273 CarbonylContact C-O 3.47Å; N252-L273 WeakPolarHBondContact CA-O 3.34Å; Y253-L273 HydrophobicContact CD2-CD2 3.93Å; Y253-L273 HydrophobicContact CE2-CD2 4.33Å; Y253-L273 HydrophobicContact CG-CD2 4.41Å; Y253-L273 PolarHBondContact N-O 2.97Å; Y253-L273 PolarHBondContact O-N 3.49Å; L273-F282 HydrophobicContact CD1-CB 3.79Å; L273-F282 HydrophobicContact CD1-CD1 4.15Å; L273-F282 HydrophobicContact CD1-CG 4.35Å; L273-F282 HydrophobicContact CD2-CD1 4.14Å; L273-F282 HydrophobicContact CG-CD1 4.07Å; L273-V284 HydrophobicContact CD1-CG2 3.78Å; L273-I310 HydrophobicContact CD1-CD1 4.25Å; L273-A433 HydrophobicContact CD1-CB 4.42Å; L273-L436 HydrophobicContact CD2-CB 3.8Å
274R95.6Very high90.5Very high100 Ų10044.9 Ų44.938%0.37723%0.229SC..EExtended strand (participates in β ladder)trans-125.3130.5176.5178.6-176.9178.4-174.1-1.8110.3S251 F282 T283 Y285S251-R274 CarbonylContact O-C 3.54Å; S251-R274 WeakPolarHBondContact O-CA 3.26Å; R274-F282 CarbonylContact O-C 3.39Å; R274-F282 VanDerWaalsContact O-CA 3.26Å; R274-F282 WeakPolarHBondContact O-CA 3.2Å; R274-T283 PolarHBondContact N-O 2.78Å; R274-T283 PolarHBondContact O-N 2.7Å; R274-Y285 HydrophobicContact CB-CE2 4.25Å
275S94.8Very high91.4Very high8 Ų842.1 Ų42.16%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-89161.9172.380.30000112.9S251 K281 F282S251-S275 WeakPolarHBondContact CB-OG 3.27Å; S251-S275 PolarHBondContact N-OG 3.45Å; S251-S275 PolarHBondContact O-N 2.98Å; S275-K281 CarbonylContact C-O 3.5Å; S275-K281 WeakPolarHBondContact CA-O 3.28Å; S275-F282 VanDerWaalsContact CB-CE1 3.46Å
276N92.7Very high92.2Very high49 Ų4936.2 Ų36.226%0.26219%0.188SC..  trans-71.6175.1153.473.2-11.7000111L278 G279 T280 K281N276-L278 VanDerWaalsContact C-N 3.26Å; N276-L278 PolarHBondContact O-N 2.71Å; N276-L278 PolarHBondContact OD1-N 3.29Å; N276-G279 PolarHBondContact O-N 3.41Å; N276-G279 PolarHBondContact OD1-N 3.16Å; N276-T280 PolarHBondContact ND2-OG1 2.95Å; N276-T280 PolarHBondContact OD1-N 2.94Å; N276-K281 HydrophobicContact CB-CB 4.33Å; N276-K281 PolarHBondContact N-O 2.73Å; N276-K281 PolarHBondContact ND2-N 3.41Å; N276-K281 PolarHBondContact OD1-N 3.11Å; N276-K281 VanDerWaalsContact OD1-N 3.08Å; N276-K281 PolarHBondContact OD1-O 3.27Å
277V88.3Confident92.8Very high117 Ų11737 Ų3771%0.70920%0.198SC*.THydrogen-bonded Turntrans-62.8-30.3-177.6-178.40000113T250T250-V277 HydrophobicContact CG2-CG2 4.12Å
278L86.4Confident93.1Very high94 Ų9429.3 Ų29.349%0.49216%0.157SC..THydrogen-bonded Turntrans-85.8-11.4-176.4-58.9177.6000114.3N276 T280N276-L278 VanDerWaalsContact C-N 3.26Å; N276-L278 PolarHBondContact O-N 2.71Å; N276-L278 PolarHBondContact OD1-N 3.29Å; L278-T280 VanDerWaalsContact C-N 3.29Å; L278-T280 HydrophobicContact CB-CG2 3.78Å
279G87.6Confident93.1Very high4 Ų430.1 Ų30.14%0.04116%0.16CC..SBendtrans69.924-170.800000113.6N276 F282 K442N276-G279 PolarHBondContact O-N 3.41Å; N276-G279 PolarHBondContact OD1-N 3.16Å; G279-F282 VanDerWaalsContact O-CE2 3.24Å; G279-F282 WeakPolarHBondContact O-CE2 3.22Å; G279-K442 WeakPolarHBondContact O-CG 3.15Å
280T89.9Confident92.8Very high10 Ų1030 Ų306%0.06116%0.16CC..SBendtrans-108.9-25-174.260.20000113.3N276 L278 Y312 T314 A444N276-T280 PolarHBondContact ND2-OG1 2.95Å; N276-T280 PolarHBondContact OD1-N 2.94Å; L278-T280 VanDerWaalsContact C-N 3.29Å; L278-T280 HydrophobicContact CB-CG2 3.78Å; T280-Y312 PolarHBondContact O-N 2.78Å; T280-T314 HydrophobicContact CG2-CG2 3.4Å; T280-A444 HydrophobicContact CG2-CB 3.98Å
281K94.8Very high92.2Very high90 Ų9031.6 Ų31.639%0.39117%0.171SC..EExtended strand (participates in β ladder)trans-123.7137.8171.6-62.8-173.2174.3-173.10109.1S275 N276 I310 L351S275-K281 CarbonylContact C-O 3.5Å; S275-K281 WeakPolarHBondContact CA-O 3.28Å; N276-K281 HydrophobicContact CB-CB 4.33Å; N276-K281 PolarHBondContact N-O 2.73Å; N276-K281 PolarHBondContact ND2-N 3.41Å; N276-K281 PolarHBondContact OD1-N 3.11Å; N276-K281 VanDerWaalsContact OD1-N 3.08Å; N276-K281 PolarHBondContact OD1-O 3.27Å; K281-I310 CarbonylContact C-O 3.57Å; K281-I310 WeakPolarHBondContact CA-O 3.28Å; K281-L351 HydrophobicContact CB-CD1 4.27Å; K281-L351 HydrophobicContact CD-CD1 4.42Å; K281-L351 HydrophobicContact CD-CD2 4.25Å
282F97.1Very high91.4Very high1 Ų137.6 Ų37.60%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-131.3149.8176.6-60.3-104.8000110.4L273 R274 S275 G279 A309 I310 Y312 D440L273-F282 HydrophobicContact CD1-CB 3.79Å; L273-F282 HydrophobicContact CD1-CD1 4.15Å; L273-F282 HydrophobicContact CD1-CG 4.35Å; L273-F282 HydrophobicContact CD2-CD1 4.14Å; L273-F282 HydrophobicContact CG-CD1 4.07Å; R274-F282 CarbonylContact O-C 3.39Å; R274-F282 VanDerWaalsContact O-CA 3.26Å; R274-F282 WeakPolarHBondContact O-CA 3.2Å; S275-F282 VanDerWaalsContact CB-CE1 3.46Å; G279-F282 VanDerWaalsContact O-CE2 3.24Å; G279-F282 WeakPolarHBondContact O-CE2 3.22Å; F282-A309 CarbonylContact O-C 3.52Å; F282-A309 VanDerWaalsContact O-CA 3.24Å; F282-A309 WeakPolarHBondContact O-CA 3.42Å; F282-I310 HydrophobicContact CB-CB 4.36Å; F282-I310 HydrophobicContact CB-CD1 4.24Å; F282-I310 PolarHBondContact N-O 3.38Å; F282-I310 PolarHBondContact O-N 3.38Å; F282-Y312 HydrophobicContact CD2-CD2 4.06Å; F282-Y312 AromaticContact CD2-CE2 3.92Å; F282-Y312 HydrophobicContact CD2-CE2 3.92Å; F282-Y312 AromaticContact CE2-CD2 3.83Å; F282-Y312 HydrophobicContact CE2-CD2 3.83Å; F282-Y312 AromaticContact CE2-CE2 3.79Å; F282-Y312 HydrophobicContact CE2-CE2 3.79Å; F282-D440 HydrophobicContact CE1-CB 4.16Å; F282-D440 HydrophobicContact CZ-CB 4.05Å
283T97.6Very high90.6Very high12 Ų1244 Ų447%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-129.1138.9173-44.10000110.2R274 Y285 E306R274-T283 PolarHBondContact N-O 2.78Å; R274-T283 PolarHBondContact O-N 2.7Å; T283-Y285 HydrophobicContact CG2-CE1 4.09Å; T283-Y285 HydrophobicContact CG2-CE2 3.87Å; T283-Y285 WeakPolarHBondContact CG2-OH 3.33Å; T283-E306 HydrophobicContact CG2-CB 4.33Å; T283-E306 VanDerWaalsContact CG2-CD 3.47Å; T283-E306 HydrophobicContact CG2-CG 3.8Å; T283-E306 WeakPolarHBondContact CG2-OE1 3.26Å
284V98.1Very high89.5Confident0 Ų047.1 Ų47.10%024%0.241CC..EExtended strand (participates in β ladder)trans-105.1124179.2-171.60000108.7K272 L273 L307 A308 I310 A433K272-V284 WeakPolarHBondContact O-CA 3.17Å; L273-V284 HydrophobicContact CD1-CG2 3.78Å; V284-L307 HydrophobicContact CB-CB 4.46Å; V284-L307 HydrophobicContact CG1-CB 4.25Å; V284-L307 PolarHBondContact O-N 3.3Å; V284-A308 HydrophobicContact CB-CB 4.07Å; V284-A308 HydrophobicContact CG2-CB 3.86Å; V284-A308 PolarHBondContact N-O 2.84Å; V284-I310 HydrophobicContact CG2-CD1 3.84Å; V284-A433 HydrophobicContact CB-CB 4.22Å; V284-A433 HydrophobicContact CG1-CB 3.56Å; V284-A433 HydrophobicContact CG2-CB 3.53Å
285Y96.7Very high88Confident15 Ų1548.4 Ų48.46%0.05926%0.262CS..EExtended strand (participates in β ladder)trans-113.2153.5176.4-60.3-80.1000110.7G271 K272 R274 T283 R304 Q305 E306G271-Y285 CarbonylContact C-O 3.46Å; G271-Y285 WeakPolarHBondContact CA-O 3.45Å; K272-Y285 PolarHBondContact N-O 2.99Å; K272-Y285 PolarHBondContact O-N 2.98Å; R274-Y285 HydrophobicContact CB-CE2 4.25Å; T283-Y285 HydrophobicContact CG2-CE1 4.09Å; T283-Y285 HydrophobicContact CG2-CE2 3.87Å; T283-Y285 WeakPolarHBondContact CG2-OH 3.33Å; Y285-R304 HydrophobicContact CD1-CB 4.42Å; Y285-R304 HydrophobicContact CD1-CG 4.11Å; Y285-R304 PolarHBondContact OH-NH1 3.16Å; Y285-Q305 WeakPolarHBondContact CA-O 3.26Å; Y285-Q305 WeakPolarHBondContact CD1-O 3.13Å; Y285-E306 HydrophobicContact CD1-CG 3.84Å; Y285-E306 HydrophobicContact CE1-CG 3.3Å; Y285-E306 WeakPolarHBondContact CE1-OE1 3.31Å; Y285-E306 VanDerWaalsContact CZ-OE1 3.28Å; Y285-E306 PolarHBondContact OH-OE1 2.79Å
286D94.6Very high86.9Confident12 Ų1256.7 Ų56.76%0.06430%0.297CS..  trans-78-164.6170.265.3-1.7000112.7Y269 I270 G288 R304 Q305 L307Y269-D286 PolarHBondContact OH-O 2.88Å; I270-D286 CarbonylContact O-C 3.59Å; D286-G288 PolarHBondContact O-N 2.75Å; D286-G288 PolarHBondContact OD1-N 2.86Å; D286-R304 VanDerWaalsContact OD1-CA 3.25Å; D286-R304 WeakPolarHBondContact OD1-CA 3.24Å; D286-Q305 VanDerWaalsContact CG-N 3.3Å; D286-Q305 PolarHBondContact N-O 3.08Å; D286-Q305 PolarHBondContact OD1-N 2.85Å; D286-Q305 VanDerWaalsContact OD2-CB 3.3Å; D286-Q305 WeakPolarHBondContact OD2-CB 3.46Å; D286-Q305 PolarHBondContact OD2-N 2.8Å; D286-Q305 VanDerWaalsContact OD2-N 3.17Å; D286-Q305 PolarHBondContact OD2-NE2 2.68Å; D286-L307 HydrophobicContact CB-CD1 3.99Å; D286-L307 HydrophobicContact CB-CD2 4.48Å; D286-L307 HydrophobicContact CB-CG 4.25Å
287G89.6Confident85.8Confident36 Ų3656.2 Ų56.237%0.37129%0.294SS..SBendtrans-65.4-18.7173.700000114.8Y269 I270Y269-G287 WeakPolarHBondContact CE1-O 3.31Å; I270-G287 PolarHBondContact O-N 3.01Å; I270-G287 VanDerWaalsContact O-N 3.12Å
288G89.1Confident84.8Confident4 Ų457 Ų574%0.04129%0.288CS..  trans-66.8167.2-167.200000115.8D286D286-G288 PolarHBondContact O-N 2.75Å; D286-G288 PolarHBondContact OD1-N 2.86Å
289E87.2Confident83.7Confident29 Ų2962.3 Ų62.314%0.13631%0.31CS..BIsolated β-bridgetrans-82.5154.3-175.9-89.7-69.7-165.500114.1R264 P291 K294 I297 S302 R304R264-E289 IonicContact CZ-OE1 3.74Å; R264-E289 IonicContact CZ-OE2 2.69Å; R264-E289 IonicContact NH1-OE1 2.7Å; R264-E289 IonicContact NH1-OE2 3.6Å; R264-E289 IonicContact NH2-OE1 3.93Å; R264-E289 PolarHBondContact NH2-OE1 3.15Å; R264-E289 IonicContact NH2-OE2 3.79Å; R264-E289 PolarHBondContact NH2-OE2 2.83Å; E289-P291 WeakPolarHBondContact O-CD 3.22Å; E289-K294 HydrophobicContact CB-CD 4.37Å; E289-K294 HydrophobicContact CG-CD 3.92Å; E289-K294 VanDerWaalsContact OE1-CE 3.26Å; E289-K294 WeakPolarHBondContact OE1-CE 3.2Å; E289-K294 IonicContact OE1-NZ 3.27Å; E289-K294 PolarHBondContact OE1-NZ 3.26Å; E289-I297 HydrophobicContact CB-CD1 4.47Å; E289-S302 PolarHBondContact N-O 3.42Å; E289-R304 WeakPolarHBondContact O-CB 3.32Å; E289-R304 WeakPolarHBondContact O-CG 3.46Å; E289-R304 PolarHBondContact O-N 2.92Å
290N86.6Confident82.3Confident17 Ų1767.7 Ų67.79%0.09135%0.348CS..  trans-90.7114.8-179.6-175.83.7000111.7E292 K293 K294 R304N290-E292 PolarHBondContact ND2-OE2 2.89Å; N290-E292 PolarHBondContact O-N 2.76Å; N290-E292 WeakPolarHBondContact OD1-CB 3.28Å; N290-E292 VanDerWaalsContact OD1-CG 3.27Å; N290-E292 WeakPolarHBondContact OD1-CG 3.35Å; N290-E292 PolarHBondContact OD1-N 3.12Å; N290-K293 HydrophobicContact CB-CB 4.31Å; N290-K293 HydrophobicContact CB-CG 4.37Å; N290-K293 PolarHBondContact O-N 3.11Å; N290-K294 PolarHBondContact O-N 2.67Å; N290-R304 PolarHBondContact OD1-NE 2.7Å; N290-R304 PolarHBondContact OD1-NH2 3.29Å
291P81.1Confident81.4Confident37 Ų3770.2 Ų70.224%0.2436%0.359CS..THydrogen-bonded Turntrans-59.9-27.8177.424.1-34.3000113.6E289 K293 K294 I297 V303E289-P291 WeakPolarHBondContact O-CD 3.22Å; P291-K293 PolarHBondContact O-N 3.03Å; P291-K294 CarbonylContact O-C 3.47Å; P291-I297 HydrophobicContact CB-CD1 4.3Å; P291-V303 HydrophobicContact CG-CG1 4.17Å
292E79.2Confident80.7Confident127 Ų12769.6 Ų69.659%0.59337%0.366SS*.THydrogen-bonded Turntrans-61.5-24.6173.6-56.2159.2-167.600112.9N290 R304N290-E292 PolarHBondContact ND2-OE2 2.89Å; N290-E292 PolarHBondContact O-N 2.76Å; N290-E292 WeakPolarHBondContact OD1-CB 3.28Å; N290-E292 VanDerWaalsContact OD1-CG 3.27Å; N290-E292 WeakPolarHBondContact OD1-CG 3.35Å; N290-E292 PolarHBondContact OD1-N 3.12Å; E292-R304 VanDerWaalsContact CD-NH2 3.25Å; E292-R304 IonicContact OE1-CZ 2.69Å; E292-R304 IonicContact OE1-NH2 3.01Å; E292-R304 PolarHBondContact OE1-NH2 3.05Å; E292-R304 IonicContact OE2-NH2 3.02Å
293K78.3Confident80.2Confident162 Ų16271.9 Ų71.970%0.70438%0.38SS*.THydrogen-bonded Turntrans-110.7-31.3-171.6-69.8-167.9169.8-158.10113.8N290 P291N290-K293 HydrophobicContact CB-CB 4.31Å; N290-K293 HydrophobicContact CB-CG 4.37Å; N290-K293 PolarHBondContact O-N 3.11Å; P291-K293 PolarHBondContact O-N 3.03Å
294K74.1Confident79.9Confident65 Ų6572.1 Ų72.128%0.28338%0.379SS..  trans-120.190.4169.9-76.1177.1169.2174.70106.5E289 N290 P291 F296 I297 E301E289-K294 HydrophobicContact CB-CD 4.37Å; E289-K294 HydrophobicContact CG-CD 3.92Å; E289-K294 VanDerWaalsContact OE1-CE 3.26Å; E289-K294 WeakPolarHBondContact OE1-CE 3.2Å; E289-K294 IonicContact OE1-NZ 3.27Å; E289-K294 PolarHBondContact OE1-NZ 3.26Å; N290-K294 PolarHBondContact O-N 2.67Å; P291-K294 CarbonylContact O-C 3.47Å; K294-F296 PolarHBondContact O-N 2.83Å; K294-I297 HydrophobicContact CB-CG1 4.04Å; K294-I297 WeakPolarHBondContact O-CG1 3.48Å; K294-E301 WeakPolarHBondContact CD-OE2 3.27Å; K294-E301 IonicContact NZ-OE1 3.85Å; K294-E301 PolarHBondContact NZ-OE1 3.19Å; K294-E301 IonicContact NZ-OE2 3.81Å; K294-E301 PolarHBondContact NZ-OE2 2.88Å
295P65.4Low79.8Confident127 Ų12774.5 Ų74.583%0.82539%0.39SS*.SBendtrans-67.4-23.8173.927.2-34.2000111.8
296F70.9Confident79.7Confident183 Ų18374 Ų7480%0.80339%0.388SS*.SBendtrans-107.186.9169.5-157.3-89.9000109.2K294K294-F296 PolarHBondContact O-N 2.83Å
297I70.1Confident79.9Confident38 Ų3873.8 Ų73.820%0.19539%0.388CS..  trans-79.3133.1171.4-56.3-179.5000107.3E289 P291 K294 E301 V303E289-I297 HydrophobicContact CB-CD1 4.47Å; P291-I297 HydrophobicContact CB-CD1 4.3Å; K294-I297 HydrophobicContact CB-CG1 4.04Å; K294-I297 WeakPolarHBondContact O-CG1 3.48Å; I297-E301 HydrophobicContact CG2-CB 3.6Å; I297-E301 WeakPolarHBondContact CG2-O 3.33Å; I297-V303 HydrophobicContact CD1-CG1 4.48Å; I297-V303 HydrophobicContact CD1-CG2 4.01Å
298K66.6Low80.3Confident134 Ų13472.1 Ų72.158%0.58337%0.37SS*.  trans-67.1150.3175.6-65.4176.4178.5175.50109.7S300 E301K298-S300 PolarHBondContact O-N 3.49Å; K298-E301 HydrophobicContact CB-CG 4.34Å; K298-E301 PolarHBondContact O-N 2.77Å
299E64.1Low80.7Confident205 Ų20571.9 Ų71.996%0.95837%0.368SS*.THydrogen-bonded Turntrans-58.3-21.1175.8-61.2178.7158.800113.4
300S58.1Low81.2Confident118 Ų11870.5 Ų70.583%0.82536%0.361SS*.THydrogen-bonded Turntrans-84.4-7.4174.1-35.50000115.1K298K298-S300 PolarHBondContact O-N 3.49Å
301E71.1Confident81.6Confident62 Ų6270.8 Ų70.829%0.2936%0.364SS..SBendtrans-111.1129.1-179.5-69.9-179.7179.600109.8K294 I297 K298K294-E301 WeakPolarHBondContact CD-OE2 3.27Å; K294-E301 IonicContact NZ-OE1 3.85Å; K294-E301 PolarHBondContact NZ-OE1 3.19Å; K294-E301 IonicContact NZ-OE2 3.81Å; K294-E301 PolarHBondContact NZ-OE2 2.88Å; I297-E301 HydrophobicContact CG2-CB 3.6Å; I297-E301 WeakPolarHBondContact CG2-O 3.33Å; K298-E301 HydrophobicContact CB-CG 4.34Å; K298-E301 PolarHBondContact O-N 2.77Å
302S79.2Confident82.1Confident77 Ų7769.9 Ų69.954%0.53836%0.356SS..PPolyproline II helixtrans-81.8144.5179.756.90000112.8E289E289-S302 PolarHBondContact N-O 3.42Å
303V87.1Confident82.5Confident50 Ų5068.4 Ų68.430%0.30335%0.349SS..BIsolated β-bridgetrans-70.9132.2169.9-169.40000109.1P291 I297 Q305 C342P291-V303 HydrophobicContact CG-CG1 4.17Å; I297-V303 HydrophobicContact CD1-CG1 4.48Å; I297-V303 HydrophobicContact CD1-CG2 4.01Å; V303-Q305 PolarHBondContact O-N 3.34Å; V303-C342 HydrophobicContact CB-CB 4.28Å; V303-C342 HydrophobicContact CG1-CB 4.22Å
304R91.4Very high82.5Confident17 Ų1763.2 Ų63.26%0.06433%0.332CS..PPolyproline II helixtrans-53134.6178.467.5-176.1168.1127.1-0.7112.9Y285 D286 E289 N290 E292Y285-R304 HydrophobicContact CD1-CB 4.42Å; Y285-R304 HydrophobicContact CD1-CG 4.11Å; Y285-R304 PolarHBondContact OH-NH1 3.16Å; D286-R304 VanDerWaalsContact OD1-CA 3.25Å; D286-R304 WeakPolarHBondContact OD1-CA 3.24Å; E289-R304 WeakPolarHBondContact O-CB 3.32Å; E289-R304 WeakPolarHBondContact O-CG 3.46Å; E289-R304 PolarHBondContact O-N 2.92Å; N290-R304 PolarHBondContact OD1-NE 2.7Å; N290-R304 PolarHBondContact OD1-NH2 3.29Å; E292-R304 VanDerWaalsContact CD-NH2 3.25Å; E292-R304 IonicContact OE1-CZ 2.69Å; E292-R304 IonicContact OE1-NH2 3.01Å; E292-R304 PolarHBondContact OE1-NH2 3.05Å; E292-R304 IonicContact OE2-NH2 3.02Å
305Q94.5Very high82.1Confident49 Ų4962.5 Ų62.523%0.22933%0.331CS..PPolyproline II helixtrans-90.2153168-68.6166.4103.900111.3Y285 D286 V303 L307 S340 I341 C342Y285-Q305 WeakPolarHBondContact CA-O 3.26Å; Y285-Q305 WeakPolarHBondContact CD1-O 3.13Å; D286-Q305 VanDerWaalsContact CG-N 3.3Å; D286-Q305 PolarHBondContact N-O 3.08Å; D286-Q305 PolarHBondContact OD1-N 2.85Å; D286-Q305 VanDerWaalsContact OD2-CB 3.3Å; D286-Q305 WeakPolarHBondContact OD2-CB 3.46Å; D286-Q305 PolarHBondContact OD2-N 2.8Å; D286-Q305 VanDerWaalsContact OD2-N 3.17Å; D286-Q305 PolarHBondContact OD2-NE2 2.68Å; V303-Q305 PolarHBondContact O-N 3.34Å; Q305-L307 HydrophobicContact CB-CD2 4.26Å; Q305-S340 PolarHBondContact OE1-OG 2.81Å; Q305-I341 CarbonylContact C-O 3.58Å; Q305-I341 VanDerWaalsContact CA-O 3.23Å; Q305-I341 WeakPolarHBondContact CA-O 3.12Å; Q305-C342 WeakPolarHBondContact CG-SG 3.49Å
306E96.2Very high81.7Confident4 Ų462 Ų622%0.01933%0.325CS..EExtended strand (participates in β ladder)trans-94.8108.5162.9-72.6-167.9166.800109.4T283 Y285 P330 I341 P343 T349 L350T283-E306 HydrophobicContact CG2-CB 4.33Å; T283-E306 VanDerWaalsContact CG2-CD 3.47Å; T283-E306 HydrophobicContact CG2-CG 3.8Å; T283-E306 WeakPolarHBondContact CG2-OE1 3.26Å; Y285-E306 HydrophobicContact CD1-CG 3.84Å; Y285-E306 HydrophobicContact CE1-CG 3.3Å; Y285-E306 WeakPolarHBondContact CE1-OE1 3.31Å; Y285-E306 VanDerWaalsContact CZ-OE1 3.28Å; Y285-E306 PolarHBondContact OH-OE1 2.79Å; E306-P330 VanDerWaalsContact O-CG 3.26Å; E306-P330 WeakPolarHBondContact O-CG 3.4Å; E306-I341 PolarHBondContact N-O 2.66Å; E306-P343 HydrophobicContact CB-CG 4.44Å; E306-P343 HydrophobicContact CG-CG 3.9Å; E306-T349 VanDerWaalsContact OE2-CA 3.31Å; E306-T349 WeakPolarHBondContact OE2-CA 3.39Å; E306-T349 WeakPolarHBondContact OE2-CB 3.09Å; E306-L350 HydrophobicContact CB-CD1 3.74Å; E306-L350 HydrophobicContact CB-CG 3.76Å; E306-L350 PolarHBondContact OE2-N 3.04Å
307L97.4Very high81Confident9 Ų960 Ų605%0.04732%0.322CS..EExtended strand (participates in β ladder)trans-85.2-30.5-175.8-61.5-179.1000112.7L197 V284 D286 Q305 P330 L429 Q430L197-L307 HydrophobicContact CD2-CD1 4.07Å; V284-L307 HydrophobicContact CB-CB 4.46Å; V284-L307 HydrophobicContact CG1-CB 4.25Å; V284-L307 PolarHBondContact O-N 3.3Å; D286-L307 HydrophobicContact CB-CD1 3.99Å; D286-L307 HydrophobicContact CB-CD2 4.48Å; D286-L307 HydrophobicContact CB-CG 4.25Å; Q305-L307 HydrophobicContact CB-CD2 4.26Å; L307-P330 WeakPolarHBondContact O-CD 3.39Å; L307-L429 HydrophobicContact CD1-CD2 3.55Å; L307-L429 HydrophobicContact CD1-CG 4.18Å; L307-Q430 HydrophobicContact CB-CG 4.28Å; L307-Q430 PolarHBondContact O-NE2 3.48Å
308A98.2Very high80.2Confident0 Ų060.8 Ų60.80%034%0.339CS..EExtended strand (participates in β ladder)trans-161.5156.2175.500000110.6V284 I328 I329 L350 Q430V284-A308 HydrophobicContact CB-CB 4.07Å; V284-A308 HydrophobicContact CG2-CB 3.86Å; V284-A308 PolarHBondContact N-O 2.84Å; A308-I328 CarbonylContact C-O 3.59Å; A308-I328 VanDerWaalsContact CA-O 3.26Å; A308-I328 WeakPolarHBondContact CA-O 3.39Å; A308-I329 HydrophobicContact CB-CG2 3.83Å; A308-L350 VanDerWaalsContact C-CD1 3.47Å; A308-Q430 HydrophobicContact CB-CG 4.34Å
309A97.9Very high79.5Confident0 Ų061.9 Ų61.90%034%0.344CS..EExtended strand (participates in β ladder)trans-129.7141.7163.500000110.2F282 V327 I328 L350 L351F282-A309 CarbonylContact O-C 3.52Å; F282-A309 VanDerWaalsContact O-CA 3.24Å; F282-A309 WeakPolarHBondContact O-CA 3.42Å; A309-V327 WeakPolarHBondContact O-CA 3.33Å; A309-I328 HydrophobicContact CB-CB 4.4Å; A309-I328 HydrophobicContact CB-CD1 4.44Å; A309-I328 PolarHBondContact N-O 3.17Å; A309-I328 PolarHBondContact O-N 3.49Å; A309-L350 HydrophobicContact CB-CB 3.89Å; A309-L350 HydrophobicContact CB-CD1 4.24Å; A309-L351 HydrophobicContact CB-CD2 3.66Å; A309-L351 HydrophobicContact CB-CG 3.8Å
310I97.3Very high78.9Confident0 Ų061 Ų610%034%0.337CS..EExtended strand (participates in β ladder)trans-121.1121.8-178-5390.1000108.6L273 K281 F282 V284 Y312 M325 T326 V327 I434L273-I310 HydrophobicContact CD1-CD1 4.25Å; K281-I310 CarbonylContact C-O 3.57Å; K281-I310 WeakPolarHBondContact CA-O 3.28Å; F282-I310 HydrophobicContact CB-CB 4.36Å; F282-I310 HydrophobicContact CB-CD1 4.24Å; F282-I310 PolarHBondContact N-O 3.38Å; F282-I310 PolarHBondContact O-N 3.38Å; V284-I310 HydrophobicContact CG2-CD1 3.84Å; I310-Y312 HydrophobicContact CB-CE2 4.45Å; I310-Y312 HydrophobicContact CG2-CD2 4.15Å; I310-Y312 HydrophobicContact CG2-CE1 4.3Å; I310-Y312 HydrophobicContact CG2-CE2 3.47Å; I310-Y312 VanDerWaalsContact CG2-CE2 3.47Å; I310-M325 HydrophobicContact CG2-CE 3.97Å; I310-M325 HydrophobicContact CG2-CG 4.19Å; I310-T326 WeakPolarHBondContact CA-O 3.36Å; I310-V327 HydrophobicContact CG1-CG2 4.31Å; I310-V327 HydrophobicContact CG2-CG2 4.3Å; I310-I434 HydrophobicContact CD1-CG1 4.07Å; I310-I434 HydrophobicContact CG1-CG1 3.91Å
311C95.3Very high78.8Confident23 Ų2357 Ų5716%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-109.1128.8173.9-72.50000109.7M325 T326 L351C311-M325 CarbonylContact O-C 3.54Å; C311-M325 WeakPolarHBondContact O-CA 3.25Å; C311-T326 PolarHBondContact N-O 2.93Å; C311-T326 PolarHBondContact O-N 3.32Å; C311-L351 WeakPolarHBondContact SG-CD2 3.45Å
312Y91.6Very high78.2Confident18 Ų1857 Ų577%0.07132%0.32CS..EExtended strand (participates in β ladder)trans-108.1127.1169.8-67.4-72.6000109.3T280 F282 I310 M325 S437 K442T280-Y312 PolarHBondContact O-N 2.78Å; F282-Y312 HydrophobicContact CD2-CD2 4.06Å; F282-Y312 AromaticContact CD2-CE2 3.92Å; F282-Y312 HydrophobicContact CD2-CE2 3.92Å; F282-Y312 AromaticContact CE2-CD2 3.83Å; F282-Y312 HydrophobicContact CE2-CD2 3.83Å; F282-Y312 AromaticContact CE2-CE2 3.79Å; F282-Y312 HydrophobicContact CE2-CE2 3.79Å; I310-Y312 HydrophobicContact CB-CE2 4.45Å; I310-Y312 HydrophobicContact CG2-CD2 4.15Å; I310-Y312 HydrophobicContact CG2-CE1 4.3Å; I310-Y312 HydrophobicContact CG2-CE2 3.47Å; I310-Y312 VanDerWaalsContact CG2-CE2 3.47Å; Y312-M325 HydrophobicContact CD1-CB 3.9Å; Y312-M325 HydrophobicContact CD1-CG 4.02Å; Y312-M325 HydrophobicContact CD1-SD 4.44Å; Y312-M325 HydrophobicContact CE1-CB 3.74Å; Y312-M325 HydrophobicContact CE1-CE 4.37Å; Y312-M325 HydrophobicContact CE1-CG 3.46Å; Y312-M325 VanDerWaalsContact CE1-CG 3.46Å; Y312-M325 HydrophobicContact CE1-SD 3.39Å; Y312-M325 WeakPolarHBondContact CE1-SD 3.48Å; Y312-S437 PolarHBondContact OH-OG 3.05Å; Y312-S437 VanDerWaalsContact OH-OG 3.1Å; Y312-K442 VanDerWaalsContact CD1-NZ 3.35Å; Y312-K442 HydrophobicContact CD2-CD 4Å; Y312-K442 VanDerWaalsContact CD2-NZ 3.32Å; Y312-K442 HydrophobicContact CE2-CD 4.43Å; Y312-K442 HydrophobicContact CG-CD 4.08Å; Y312-K442 PolarHBondContact OH-NZ 2.79Å
313E87.3Confident77.9Confident95 Ų9557.6 Ų57.644%0.44431%0.311SS..  trans-68.2138.9176.1-161.4168.611400109.9K324E313-K324 HydrophobicContact CB-CB 3.96Å; E313-K324 HydrophobicContact CB-CD 4.39Å; E313-K324 HydrophobicContact CG-CD 4.48Å; E313-K324 PolarHBondContact N-O 3.17Å; E313-K324 WeakPolarHBondContact OE1-CD 3.48Å; E313-K324 IonicContact OE1-NZ 3.87Å; E313-K324 PolarHBondContact OE1-NZ 3.38Å; E313-K324 WeakPolarHBondContact OE2-CD 3.4Å; E313-K324 IonicContact OE2-NZ 3.72Å; E313-K324 PolarHBondContact OE2-NZ 3.46Å
314T78Confident77.9Confident54 Ų5460.5 Ų60.533%0.33132%0.319SS..  trans-97.1113.1-179.147.80000109.9T280 V316 A444T280-T314 HydrophobicContact CG2-CG2 3.4Å; T314-V316 PolarHBondContact O-N 3.07Å; T314-A444 HydrophobicContact CG2-CB 3.81Å
315N66.2Low77.9Confident50 Ų5060.1 Ų60.127%0.26732%0.318SS..  trans-78.254.4-179.4-65.120.6000111.6L317 G318 F319 G321N315-L317 PolarHBondContact O-N 3.02Å; N315-G318 PolarHBondContact O-N 2.81Å; N315-F319 PolarHBondContact ND2-O 3.46Å; N315-F319 VanDerWaalsContact ND2-O 3.13Å; N315-G321 PolarHBondContact ND2-O 2.83Å
316V57.3Low78Confident115 Ų11559.5 Ų59.570%0.69732%0.318SS*.THydrogen-bonded Turntrans-58.5-32.2-172-173.90000112.7T314T314-V316 PolarHBondContact O-N 3.07Å
317L56.3Low78.1Confident143 Ų14359.3 Ų59.375%0.74932%0.317SS*.THydrogen-bonded Turntrans-91.58.9179.1-92.464.6000114.1N315 F319N315-L317 PolarHBondContact O-N 3.02Å; L317-F319 HydrophobicContact CB-CD2 3.75Å; L317-F319 HydrophobicContact CB-CE2 3.82Å; L317-F319 HydrophobicContact CD2-CE2 4.08Å; L317-F319 PolarHBondContact O-N 3.49Å
318G53.3Low78.1Confident53 Ų5359 Ų5955%0.54632%0.315SS..  trans71.111.8175.800000115.7N315 K320N315-G318 PolarHBondContact O-N 2.81Å; G318-K320 PolarHBondContact O-N 3.01Å
319F51.1Low78.1Confident158 Ų15859 Ų5969%0.69332%0.315SS*.  trans-56121.1171.3-77.3-78.9000110.5N315 L317 G321N315-F319 PolarHBondContact ND2-O 3.46Å; N315-F319 VanDerWaalsContact ND2-O 3.13Å; L317-F319 HydrophobicContact CB-CD2 3.75Å; L317-F319 HydrophobicContact CB-CE2 3.82Å; L317-F319 HydrophobicContact CD2-CE2 4.08Å; L317-F319 PolarHBondContact O-N 3.49Å; F319-G321 PolarHBondContact O-N 2.87Å
320K53.2Low78.1Confident185 Ų18559 Ų5980%0.80432%0.316SS*.  trans-83.549.9-172.3-61.4-174.7-179.8-179.40113.1G318G318-K320 PolarHBondContact O-N 3.01Å
321G55Low78Confident36 Ų3659.2 Ų59.237%0.37132%0.318SS..  trans-92.8153.3171.900000112.2N315 F319N315-G321 PolarHBondContact ND2-O 2.83Å; F319-G321 PolarHBondContact O-N 2.87Å
322P59Low78Confident61 Ų6159.9 Ų59.940%0.39632%0.319SS..  trans-50.5140.1165.2-26.535.4000111.3K324 P370P322-K324 PolarHBondContact O-N 2.79Å; P322-K324 VanDerWaalsContact O-N 3.1Å; P322-P370 HydrophobicContact CB-CG 4.45Å; P322-P370 HydrophobicContact CG-CG 3.98Å
323R71.8Confident78.2Confident89 Ų8963 Ų6334%0.33634%0.337SS..  trans-64.7112.7-177.8-67.4-179.3-176139.9-0.2110.5C445 E446R323-C445 PolarHBondContact NE-O 3.22Å; R323-C445 PolarHBondContact NH2-O 2.85Å; R323-E446 PolarHBondContact NH2-OXT 2.88Å
324K86.8Confident78.4Confident111 Ų11167.8 Ų67.848%0.48336%0.359SS..  trans-67.9141.5171.7-65159.9176.7172.70111.1E313 P322 N367E313-K324 HydrophobicContact CB-CB 3.96Å; E313-K324 HydrophobicContact CB-CD 4.39Å; E313-K324 HydrophobicContact CG-CD 4.48Å; E313-K324 PolarHBondContact N-O 3.17Å; E313-K324 WeakPolarHBondContact OE1-CD 3.48Å; E313-K324 IonicContact OE1-NZ 3.87Å; E313-K324 PolarHBondContact OE1-NZ 3.38Å; E313-K324 WeakPolarHBondContact OE2-CD 3.4Å; E313-K324 IonicContact OE2-NZ 3.72Å; E313-K324 PolarHBondContact OE2-NZ 3.46Å; P322-K324 PolarHBondContact O-N 2.79Å; P322-K324 VanDerWaalsContact O-N 3.1Å; K324-N367 WeakPolarHBondContact CA-OD1 3.41Å
325M92Very high79.2Confident9 Ų969.7 Ų69.74%0.04437%0.367CS..EExtended strand (participates in β ladder)trans-139.1118.4-178.6170.6178169.600108.4I310 C311 Y312 V327 V366 N367 F395 I397 I434I310-M325 HydrophobicContact CG2-CE 3.97Å; I310-M325 HydrophobicContact CG2-CG 4.19Å; C311-M325 CarbonylContact O-C 3.54Å; C311-M325 WeakPolarHBondContact O-CA 3.25Å; Y312-M325 HydrophobicContact CD1-CB 3.9Å; Y312-M325 HydrophobicContact CD1-CG 4.02Å; Y312-M325 HydrophobicContact CD1-SD 4.44Å; Y312-M325 HydrophobicContact CE1-CB 3.74Å; Y312-M325 HydrophobicContact CE1-CE 4.37Å; Y312-M325 HydrophobicContact CE1-CG 3.46Å; Y312-M325 VanDerWaalsContact CE1-CG 3.46Å; Y312-M325 HydrophobicContact CE1-SD 3.39Å; Y312-M325 WeakPolarHBondContact CE1-SD 3.48Å; M325-V327 HydrophobicContact CE-CG2 3.57Å; M325-V327 HydrophobicContact CG-CG2 4.32Å; M325-V366 CarbonylContact O-C 3.53Å; M325-V366 WeakPolarHBondContact O-CA 3.32Å; M325-N367 HydrophobicContact CB-CB 4.25Å; M325-N367 PolarHBondContact N-OD1 3.27Å; M325-N367 PolarHBondContact O-N 2.74Å; M325-F395 HydrophobicContact CE-CE2 4.03Å; M325-F395 HydrophobicContact CE-CZ 4.12Å; M325-F395 HydrophobicContact SD-CD2 4.45Å; M325-F395 HydrophobicContact SD-CE2 4.44Å; M325-I397 HydrophobicContact CE-CD1 3.78Å; M325-I397 HydrophobicContact CG-CD1 4.47Å; M325-I397 HydrophobicContact SD-CD1 4Å; M325-I434 HydrophobicContact CE-CG2 3.35Å
326T96.3Very high80.5Confident37 Ų3769.7 Ų69.723%0.22737%0.367CS..EExtended strand (participates in β ladder)trans-104.2132.6172.9-47.70000108.6I310 C311 I328 T364 L365I310-T326 WeakPolarHBondContact CA-O 3.36Å; C311-T326 PolarHBondContact N-O 2.93Å; C311-T326 PolarHBondContact O-N 3.32Å; T326-I328 HydrophobicContact CG2-CG1 4.36Å; T326-T364 HydrophobicContact CG2-CG2 3.64Å; T326-L365 CarbonylContact C-O 3.46Å; T326-L365 WeakPolarHBondContact CA-O 3.48Å
327V98.1Very high82.2Confident0 Ų069.8 Ų69.80%036%0.36CS..EExtended strand (participates in β ladder)trans-118.1118.6175.1177.60000108.1A309 I310 M325 I329 L365 I397 I434A309-V327 WeakPolarHBondContact O-CA 3.33Å; I310-V327 HydrophobicContact CG1-CG2 4.31Å; I310-V327 HydrophobicContact CG2-CG2 4.3Å; M325-V327 HydrophobicContact CE-CG2 3.57Å; M325-V327 HydrophobicContact CG-CG2 4.32Å; V327-I329 HydrophobicContact CG1-CG2 4.15Å; V327-L365 HydrophobicContact CB-CB 4.3Å; V327-L365 PolarHBondContact N-O 3.06Å; V327-L365 PolarHBondContact O-N 2.83Å; V327-I397 HydrophobicContact CG2-CD1 4.36Å; V327-I434 HydrophobicContact CG1-CD1 3.67Å; V327-I434 HydrophobicContact CG1-CG1 4.18Å; V327-I434 HydrophobicContact CG2-CG2 4.39Å
328I98.2Very high84Confident1 Ų164.8 Ų64.81%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-104.3124.5-179.9-53.7155.4000106.7A308 A309 T326 L350 L351 H354 L362A308-I328 CarbonylContact C-O 3.59Å; A308-I328 VanDerWaalsContact CA-O 3.26Å; A308-I328 WeakPolarHBondContact CA-O 3.39Å; A309-I328 HydrophobicContact CB-CB 4.4Å; A309-I328 HydrophobicContact CB-CD1 4.44Å; A309-I328 PolarHBondContact N-O 3.17Å; A309-I328 PolarHBondContact O-N 3.49Å; T326-I328 HydrophobicContact CG2-CG1 4.36Å; I328-L350 HydrophobicContact CG2-CB 4.19Å; I328-L351 HydrophobicContact CD1-CD2 4.4Å; I328-H354 HydrophobicContact CD1-CB 3.54Å; I328-H354 VanDerWaalsContact CD1-CG 3.48Å; I328-H354 HydrophobicContact CG1-CB 4.22Å; I328-H354 HydrophobicContact CG2-CB 4.47Å; I328-L362 HydrophobicContact CG2-CD1 4.06Å
329I98Very high86Confident0 Ų063.1 Ų63.10%031%0.31CS..EExtended strand (participates in β ladder)trans-126154.417458.2-177000109.9A308 V327 G331 V363 L365 P425A308-I329 HydrophobicContact CB-CG2 3.83Å; V327-I329 HydrophobicContact CG1-CG2 4.15Å; I329-G331 PolarHBondContact O-N 3.44Å; I329-V363 HydrophobicContact CD1-CB 4.39Å; I329-V363 HydrophobicContact CD1-CG1 4.42Å; I329-V363 HydrophobicContact CG1-CB 3.88Å; I329-V363 HydrophobicContact CG1-CG1 4.31Å; I329-V363 PolarHBondContact N-O 2.87Å; I329-V363 PolarHBondContact O-N 3.49Å; I329-L365 HydrophobicContact CD1-CD1 3.97Å; I329-P425 HydrophobicContact CD1-CG 3.78Å
330P97.4Very high88Confident2 Ų259.6 Ų59.61%0.01331%0.305CS..EExtended strand (participates in β ladder)trans-59.5138.4166-1628.2000109.9E306 L307 R338 V339 I341 L350E306-P330 VanDerWaalsContact O-CG 3.26Å; E306-P330 WeakPolarHBondContact O-CG 3.4Å; L307-P330 WeakPolarHBondContact O-CD 3.39Å; P330-R338 HydrophobicContact CB-CG 3.86Å; P330-R338 HydrophobicContact CG-CG 4.38Å; P330-V339 WeakPolarHBondContact CB-O 3.29Å; P330-I341 HydrophobicContact CB-CD1 3.82Å; P330-I341 HydrophobicContact CB-CG1 4.18Å; P330-I341 HydrophobicContact CG-CD1 4.17Å; P330-I341 HydrophobicContact CG-CG1 4.44Å; P330-L350 HydrophobicContact CG-CD2 4.28Å
331G96.1Very high89.9Confident4 Ų451 Ų514%0.04127%0.268CS..  trans-70.1-179178.200000113.2I329 V339 K361I329-G331 PolarHBondContact O-N 3.44Å; G331-V339 WeakPolarHBondContact O-CB 3.45Å; G331-V339 WeakPolarHBondContact O-CG2 3.49Å; G331-V339 PolarHBondContact O-N 3.44Å; G331-K361 PolarHBondContact N-O 2.77Å
332M95.8Very high91.7Very high37 Ų3751.5 Ų51.518%0.18227%0.265CS..BIsolated β-bridgetrans-109.8151.4-173.9-53-50.7-72.100111.5P199 D336 E337 R338 F424 P425P199-M332 HydrophobicContact CB-CE 4.22Å; P199-M332 HydrophobicContact CG-CE 3.6Å; M332-D336 WeakPolarHBondContact CE-O 3.25Å; M332-E337 CarbonylContact C-O 3.52Å; M332-E337 WeakPolarHBondContact CA-O 3.25Å; M332-E337 VanDerWaalsContact CE-C 3.45Å; M332-E337 WeakPolarHBondContact CE-O 3.16Å; M332-R338 HydrophobicContact CE-CB 4.27Å; M332-R338 HydrophobicContact SD-CB 4.2Å; M332-R338 HydrophobicContact SD-CG 4.28Å; M332-F424 HydrophobicContact CB-CZ 4.2Å; M332-F424 HydrophobicContact CE-CE2 4.05Å; M332-F424 HydrophobicContact CE-CZ 4.41Å; M332-F424 HydrophobicContact CG-CE1 4.43Å; M332-F424 HydrophobicContact CG-CE2 4.34Å; M332-F424 HydrophobicContact CG-CZ 3.81Å; M332-P425 HydrophobicContact CE-CB 4.28Å; M332-P425 HydrophobicContact CG-CB 3.45Å; M332-P425 VanDerWaalsContact CG-CB 3.45Å; M332-P425 HydrophobicContact CG-CG 4.38Å; M332-P425 HydrophobicContact SD-CB 3.62Å
333L94.9Very high93.1Very high84 Ų8449.1 Ų49.144%0.4425%0.25SS..  trans-87.5170.2169.5-65175.4000110.3N335 D336 E337 V339L333-N335 WeakPolarHBondContact CB-OD1 3.48Å; L333-N335 PolarHBondContact O-N 3.44Å; L333-D336 PolarHBondContact O-N 3.1Å; L333-D336 VanDerWaalsContact O-N 3.14Å; L333-E337 HydrophobicContact CD1-CB 4.45Å; L333-E337 PolarHBondContact N-O 3.45Å; L333-V339 HydrophobicContact CD2-CG2 3.78Å; L333-V339 HydrophobicContact CG-CG2 3.98Å
334E92.2Very high93.7Very high194 Ų19453.1 Ų53.191%0.90727%0.27SS*.THydrogen-bonded Turntrans-64.9-18.5-179.7-63177.617400113.6
335N93.9Very high93.6Very high94 Ų9451.4 Ų51.450%0.50327%0.266SS..THydrogen-bonded Turntrans-94.616.4176.368.4-19.1000113.6L333 E337L333-N335 WeakPolarHBondContact CB-OD1 3.48Å; L333-N335 PolarHBondContact O-N 3.44Å; N335-E337 WeakPolarHBondContact ND2-CG 3.17Å; N335-E337 PolarHBondContact ND2-OE2 2.98Å; N335-E337 PolarHBondContact O-N 3.48Å; N335-E337 VanDerWaalsContact O-N 3.13Å; N335-E337 WeakPolarHBondContact OD1-CB 3.13Å; N335-E337 PolarHBondContact OD1-N 3.38Å
336D92.9Very high93.4Very high51 Ų5158.7 Ų58.727%0.27330%0.3SS..SBendtrans59.814.1-175.4-73.8-17.7000115.7R202 M332 L333 F424R202-D336 WeakPolarHBondContact CD-OD2 3.3Å; R202-D336 IonicContact CZ-OD1 3.17Å; R202-D336 VanDerWaalsContact CZ-OD1 3.27Å; R202-D336 IonicContact CZ-OD2 3.34Å; R202-D336 VanDerWaalsContact NE-CG 3.3Å; R202-D336 IonicContact NE-OD1 3.11Å; R202-D336 PolarHBondContact NE-OD1 3.41Å; R202-D336 IonicContact NE-OD2 2.92Å; R202-D336 PolarHBondContact NE-OD2 2.74Å; R202-D336 IonicContact NH2-OD1 2.76Å; R202-D336 PolarHBondContact NH2-OD1 3.32Å; R202-D336 IonicContact NH2-OD2 2.86Å; M332-D336 WeakPolarHBondContact CE-O 3.25Å; L333-D336 PolarHBondContact O-N 3.1Å; L333-D336 VanDerWaalsContact O-N 3.14Å; D336-F424 HydrophobicContact CB-CE2 3.87Å; D336-F424 HydrophobicContact CB-CZ 4.44Å; D336-F424 WeakPolarHBondContact OD1-CE2 3.34Å; D336-F424 VanDerWaalsContact OD1-CZ 3.27Å; D336-F424 WeakPolarHBondContact OD1-CZ 3.37Å
337E93.3Very high93.1Very high116 Ų11662.6 Ų62.654%0.54232%0.319SS..  trans-82.4157.6167.5-64.9-174.9143.300112M332 L333 N335M332-E337 CarbonylContact C-O 3.52Å; M332-E337 WeakPolarHBondContact CA-O 3.25Å; M332-E337 VanDerWaalsContact CE-C 3.45Å; M332-E337 WeakPolarHBondContact CE-O 3.16Å; L333-E337 HydrophobicContact CD1-CB 4.45Å; L333-E337 PolarHBondContact N-O 3.45Å; N335-E337 WeakPolarHBondContact ND2-CG 3.17Å; N335-E337 PolarHBondContact ND2-OE2 2.98Å; N335-E337 PolarHBondContact O-N 3.48Å; N335-E337 VanDerWaalsContact O-N 3.13Å; N335-E337 WeakPolarHBondContact OD1-CB 3.13Å; N335-E337 PolarHBondContact OD1-N 3.38Å
338R95.1Very high92.7Very high38 Ų3865.2 Ų65.214%0.14333%0.331CS..BIsolated β-bridgetrans-84.4137.8-179.2-169.4-180-47.1-64-1.8110.8P330 M332 S340 P425P330-R338 HydrophobicContact CB-CG 3.86Å; P330-R338 HydrophobicContact CG-CG 4.38Å; M332-R338 HydrophobicContact CE-CB 4.27Å; M332-R338 HydrophobicContact SD-CB 4.2Å; M332-R338 HydrophobicContact SD-CG 4.28Å; R338-S340 PolarHBondContact O-N 2.95Å; R338-S340 VanDerWaalsContact O-N 3.15Å; R338-P425 PolarHBondContact NH1-O 3.02Å; R338-P425 PolarHBondContact NH2-O 2.84Å
339V95.2Very high92.5Very high19 Ų1966.4 Ų66.412%0.11534%0.338CS..  trans-64.3113.4168.2176.70000109.5P330 G331 L333 I341 K361P330-V339 WeakPolarHBondContact CB-O 3.29Å; G331-V339 WeakPolarHBondContact O-CB 3.45Å; G331-V339 WeakPolarHBondContact O-CG2 3.49Å; G331-V339 PolarHBondContact O-N 3.44Å; L333-V339 HydrophobicContact CD2-CG2 3.78Å; L333-V339 HydrophobicContact CG-CG2 3.98Å; V339-I341 HydrophobicContact CG1-CG1 4.38Å; V339-I341 PolarHBondContact O-N 3.29Å; V339-K361 HydrophobicContact CB-CB 4.47Å; V339-K361 HydrophobicContact CG1-CB 4.05Å; V339-K361 HydrophobicContact CG1-CD 3.95Å; V339-K361 HydrophobicContact CG2-CB 4.25Å; V339-K361 HydrophobicContact CG2-CD 4.42Å
340S93.1Very high92.3Very high83 Ų8366.4 Ų66.458%0.5834%0.338SS*.  trans-63.1126.7173.1-71.40000111.8Q305 R338Q305-S340 PolarHBondContact OE1-OG 2.81Å; R338-S340 PolarHBondContact O-N 2.95Å; R338-S340 VanDerWaalsContact O-N 3.15Å
341I92.6Very high92.2Very high4 Ų467.9 Ų67.92%0.02135%0.346CS..  trans-123.6103.1173.8-64.3-179.7000107.7Q305 E306 P330 V339 P343 L350 L362Q305-I341 CarbonylContact C-O 3.58Å; Q305-I341 VanDerWaalsContact CA-O 3.23Å; Q305-I341 WeakPolarHBondContact CA-O 3.12Å; E306-I341 PolarHBondContact N-O 2.66Å; P330-I341 HydrophobicContact CB-CD1 3.82Å; P330-I341 HydrophobicContact CB-CG1 4.18Å; P330-I341 HydrophobicContact CG-CD1 4.17Å; P330-I341 HydrophobicContact CG-CG1 4.44Å; V339-I341 HydrophobicContact CG1-CG1 4.38Å; V339-I341 PolarHBondContact O-N 3.29Å; I341-P343 HydrophobicContact CG2-CG 4.23Å; I341-P343 WeakPolarHBondContact O-CD 3.3Å; I341-L350 HydrophobicContact CD1-CD2 3.79Å; I341-L350 HydrophobicContact CG2-CD2 4.38Å; I341-L362 HydrophobicContact CD1-CD2 3.58Å
342C92.5Very high92.1Very high48 Ų4869.5 Ų69.532%0.32436%0.355SS..  trans-110.592.2175.4-40.40000109.1V303 Q305 K344V303-C342 HydrophobicContact CB-CB 4.28Å; V303-C342 HydrophobicContact CG1-CB 4.22Å; Q305-C342 WeakPolarHBondContact CG-SG 3.49Å; C342-K344 PolarHBondContact O-N 2.92Å
343P88.8Confident92Very high11 Ų1170.2 Ų70.27%0.07136%0.355CS..  trans-65.8121.9-174.3-21.734.4000112.3E306 I341 E348 T349E306-P343 HydrophobicContact CB-CG 4.44Å; E306-P343 HydrophobicContact CG-CG 3.9Å; I341-P343 HydrophobicContact CG2-CG 4.23Å; I341-P343 WeakPolarHBondContact O-CD 3.3Å; P343-E348 HydrophobicContact CB-CB 3.89Å; P343-T349 HydrophobicContact CB-CG2 3.95Å; P343-T349 HydrophobicContact CG-CG2 4.18Å
344K84.9Confident92Very high173 Ų17369.4 Ų69.475%0.75235%0.349SS*.SBendtrans-89.4-18.3172.6-62.2-178.1-178.9-179.50112.4C342 E348C342-K344 PolarHBondContact O-N 2.92Å; K344-E348 PolarHBondContact N-OE2 3Å
345N85Confident92Very high74 Ų7463.7 Ų63.740%0.39633%0.331SS..SBendtrans-142.7170.8177.757.360.8000110.2L347 E348N345-L347 VanDerWaalsContact C-N 3.32Å; N345-L347 PolarHBondContact O-N 3.41Å; N345-L347 WeakPolarHBondContact OD1-CB 3.4Å; N345-L347 PolarHBondContact OD1-N 3.02Å; N345-E348 VanDerWaalsContact ND2-CD 3.27Å; N345-E348 PolarHBondContact ND2-OE1 2.82Å; N345-E348 PolarHBondContact O-N 3.17Å; N345-E348 WeakPolarHBondContact OD1-CG 3.23Å; N345-E348 PolarHBondContact OD1-N 2.87Å
346E86.9Confident91.9Very high162 Ų16264.2 Ų64.276%0.75733%0.334SS*.G310 helixtrans-66.3-32.6-177.9-60-168.4147.600113.1E348 T349 V352E346-E348 PolarHBondContact O-N 2.94Å; E346-T349 WeakPolarHBondContact O-CB 3.22Å; E346-T349 WeakPolarHBondContact O-CG2 3.43Å; E346-T349 PolarHBondContact O-N 3.48Å; E346-T349 PolarHBondContact O-OG1 2.76Å; E346-V352 WeakPolarHBondContact O-CB 3.44Å; E346-V352 WeakPolarHBondContact O-CG2 3.48Å
347L89.2Confident91.7Very high120 Ų12064.9 Ų64.963%0.62835%0.352SS*.G310 helixtrans-65.1-27.3180-57177.3000112.6N345 T349 V352 R353N345-L347 VanDerWaalsContact C-N 3.32Å; N345-L347 PolarHBondContact O-N 3.41Å; N345-L347 WeakPolarHBondContact OD1-CB 3.4Å; N345-L347 PolarHBondContact OD1-N 3.02Å; L347-T349 VanDerWaalsContact C-N 3.35Å; L347-V352 HydrophobicContact CD2-CG1 4.13Å; L347-R353 WeakPolarHBondContact O-CG 3.37Å
348E90.1Very high91.6Very high55 Ų5562.9 Ų62.926%0.25735%0.345SS..G310 helixtrans-80.7-10.1178.5-77.9166-156.100114.1P343 K344 N345 E346 R353P343-E348 HydrophobicContact CB-CB 3.89Å; K344-E348 PolarHBondContact N-OE2 3Å; N345-E348 VanDerWaalsContact ND2-CD 3.27Å; N345-E348 PolarHBondContact ND2-OE1 2.82Å; N345-E348 PolarHBondContact O-N 3.17Å; N345-E348 WeakPolarHBondContact OD1-CG 3.23Å; N345-E348 PolarHBondContact OD1-N 2.87Å; E346-E348 PolarHBondContact O-N 2.94Å; E348-R353 PolarHBondContact O-NE 3.14Å; E348-R353 PolarHBondContact O-NH2 3.36Å
349T93.5Very high91.2Very high26 Ų2663.7 Ų63.716%0.1636%0.361CS..SBendtrans-67.3149.9-180640000112.4E306 P343 E346 L347 L351 V352 R353E306-T349 VanDerWaalsContact OE2-CA 3.31Å; E306-T349 WeakPolarHBondContact OE2-CA 3.39Å; E306-T349 WeakPolarHBondContact OE2-CB 3.09Å; P343-T349 HydrophobicContact CB-CG2 3.95Å; P343-T349 HydrophobicContact CG-CG2 4.18Å; E346-T349 WeakPolarHBondContact O-CB 3.22Å; E346-T349 WeakPolarHBondContact O-CG2 3.43Å; E346-T349 PolarHBondContact O-N 3.48Å; E346-T349 PolarHBondContact O-OG1 2.76Å; L347-T349 VanDerWaalsContact C-N 3.35Å; T349-L351 PolarHBondContact O-N 2.84Å; T349-V352 PolarHBondContact O-N 3.43Å; T349-V352 VanDerWaalsContact O-N 3.15Å; T349-V352 WeakPolarHBondContact OG1-CB 3.46Å; T349-V352 WeakPolarHBondContact OG1-CG2 3.37Å; T349-V352 PolarHBondContact OG1-N 2.94Å; T349-R353 WeakPolarHBondContact O-CG 3.34Å; T349-R353 PolarHBondContact O-N 2.84Å
350L95.3Very high90.8Very high0 Ų068.6 Ų68.60%039%0.386CS..Hα-helixtrans-56-38.9-179.5-66.1179000112.1E306 A308 A309 I328 P330 I341 H354 L362E306-L350 HydrophobicContact CB-CD1 3.74Å; E306-L350 HydrophobicContact CB-CG 3.76Å; E306-L350 PolarHBondContact OE2-N 3.04Å; A308-L350 VanDerWaalsContact C-CD1 3.47Å; A309-L350 HydrophobicContact CB-CB 3.89Å; A309-L350 HydrophobicContact CB-CD1 4.24Å; I328-L350 HydrophobicContact CG2-CB 4.19Å; P330-L350 HydrophobicContact CG-CD2 4.28Å; I341-L350 HydrophobicContact CD1-CD2 3.79Å; I341-L350 HydrophobicContact CG2-CD2 4.38Å; L350-H354 VanDerWaalsContact O-CB 3.31Å; L350-H354 WeakPolarHBondContact O-CB 3.44Å; L350-H354 PolarHBondContact O-N 3.05Å; L350-L362 HydrophobicContact CD2-CD2 3.53Å
351L94.6Very high90.7Very high33 Ų3371.6 Ų71.617%0.17339%0.389CS..Hα-helixtrans-66.8-40-179.6-72.3175.9000112.9K281 A309 C311 I328 T349 S355K281-L351 HydrophobicContact CB-CD1 4.27Å; K281-L351 HydrophobicContact CD-CD1 4.42Å; K281-L351 HydrophobicContact CD-CD2 4.25Å; A309-L351 HydrophobicContact CB-CD2 3.66Å; A309-L351 HydrophobicContact CB-CG 3.8Å; C311-L351 WeakPolarHBondContact SG-CD2 3.45Å; I328-L351 HydrophobicContact CD1-CD2 4.4Å; T349-L351 PolarHBondContact O-N 2.84Å; L351-S355 PolarHBondContact O-N 2.83Å; L351-S355 VanDerWaalsContact O-N 3.15Å; L351-S355 PolarHBondContact O-OG 2.92Å
352V94.2Very high90.9Very high38 Ų3872.3 Ų72.323%0.2339%0.392CS..Hα-helixtrans-82.6-39.6-177.1178.40000111.3E346 L347 T349 H354 S355 N356E346-V352 WeakPolarHBondContact O-CB 3.44Å; E346-V352 WeakPolarHBondContact O-CG2 3.48Å; L347-V352 HydrophobicContact CD2-CG1 4.13Å; T349-V352 PolarHBondContact O-N 3.43Å; T349-V352 VanDerWaalsContact O-N 3.15Å; T349-V352 WeakPolarHBondContact OG1-CB 3.46Å; T349-V352 WeakPolarHBondContact OG1-CG2 3.37Å; T349-V352 PolarHBondContact OG1-N 2.94Å; V352-H354 VanDerWaalsContact C-N 3.33Å; V352-H354 PolarHBondContact O-N 3.48Å; V352-S355 WeakPolarHBondContact CA-OG 3.49Å; V352-S355 PolarHBondContact O-N 2.71Å; V352-S355 PolarHBondContact O-OG 3.19Å; V352-N356 WeakPolarHBondContact O-CB 3.24Å; V352-N356 PolarHBondContact O-N 2.86Å; V352-N356 PolarHBondContact O-OD1 3.24Å
353R94.4Very high91Very high51 Ų5170.7 Ų70.719%0.19238%0.381CS..Hα-helixtrans-55-50.1171.8-71.5-171.1-167.9-1640.5111.3L347 E348 T349 N356 G357 N358 L362L347-R353 WeakPolarHBondContact O-CG 3.37Å; E348-R353 PolarHBondContact O-NE 3.14Å; E348-R353 PolarHBondContact O-NH2 3.36Å; T349-R353 WeakPolarHBondContact O-CG 3.34Å; T349-R353 PolarHBondContact O-N 2.84Å; R353-N356 PolarHBondContact O-N 2.78Å; R353-G357 PolarHBondContact O-N 2.88Å; R353-N358 CarbonylContact C-O 3.58Å; R353-N358 HydrophobicContact CB-CB 4.36Å; R353-N358 WeakPolarHBondContact O-CA 3.34Å; R353-N358 PolarHBondContact O-N 3.1Å; R353-L362 HydrophobicContact CB-CD1 3.89Å
354H93.7Very high91.4Very high67 Ų6771.8 Ų71.831%0.3139%0.388SS..Hα-helixtrans-62.9-42.4177.1-178.5-74.2000113I328 L350 V352 N356 G357 T364I328-H354 HydrophobicContact CD1-CB 3.54Å; I328-H354 VanDerWaalsContact CD1-CG 3.48Å; I328-H354 HydrophobicContact CG1-CB 4.22Å; I328-H354 HydrophobicContact CG2-CB 4.47Å; L350-H354 VanDerWaalsContact O-CB 3.31Å; L350-H354 WeakPolarHBondContact O-CB 3.44Å; L350-H354 PolarHBondContact O-N 3.05Å; V352-H354 VanDerWaalsContact C-N 3.33Å; V352-H354 PolarHBondContact O-N 3.48Å; H354-N356 PolarHBondContact O-N 2.83Å; H354-G357 PolarHBondContact O-N 2.82Å; H354-T364 PolarHBondContact CD2-OG1 3.19Å; H354-T364 WeakPolarHBondContact NE2-CG2 3.29Å
355S92.1Very high92.1Very high75 Ų7563.6 Ų63.652%0.52435%0.352SS..Hα-helixtrans-66-25.4177.861.70000113.5L351 V352 G357L351-S355 PolarHBondContact O-N 2.83Å; L351-S355 VanDerWaalsContact O-N 3.15Å; L351-S355 PolarHBondContact O-OG 2.92Å; V352-S355 WeakPolarHBondContact CA-OG 3.49Å; V352-S355 PolarHBondContact O-N 2.71Å; V352-S355 PolarHBondContact O-OG 3.19Å; S355-G357 VanDerWaalsContact C-N 3.33Å
356N92.4Very high92.6Very high105 Ų10562.2 Ų62.256%0.56135%0.346SS*.THydrogen-bonded Turntrans-91.97.5-178.8-61.14.8000112.5V352 R353 H354 N358V352-N356 WeakPolarHBondContact O-CB 3.24Å; V352-N356 PolarHBondContact O-N 2.86Å; V352-N356 PolarHBondContact O-OD1 3.24Å; R353-N356 PolarHBondContact O-N 2.78Å; H354-N356 PolarHBondContact O-N 2.83Å; N356-N358 PolarHBondContact O-N 3.05Å
357G89.5Confident93Very high64 Ų6455.8 Ų55.866%0.6632%0.317SS*.THydrogen-bonded Turntrans71.84.3-176.300000114.7R353 H354 S355 A359R353-G357 PolarHBondContact O-N 2.88Å; H354-G357 PolarHBondContact O-N 2.82Å; S355-G357 VanDerWaalsContact C-N 3.33Å; G357-A359 VanDerWaalsContact C-N 3.28Å; G357-A359 PolarHBondContact O-N 2.94Å
358N90.8Very high93.2Very high74 Ų7451.5 Ų51.540%0.39629%0.293SS..  trans-79.878.9176.3-173.9-6.9000109.6R353 N356 D360 L362R353-N358 CarbonylContact C-O 3.58Å; R353-N358 HydrophobicContact CB-CB 4.36Å; R353-N358 WeakPolarHBondContact O-CA 3.34Å; R353-N358 PolarHBondContact O-N 3.1Å; N356-N358 PolarHBondContact O-N 3.05Å; N358-D360 VanDerWaalsContact C-N 3.27Å; N358-D360 PolarHBondContact OD1-N 3.5Å; N358-L362 WeakPolarHBondContact O-CD1 3.48Å
359A85.7Confident93.2Very high56 Ų5652.8 Ų52.846%0.46331%0.308SS..  trans-82.71.6176.600000113.4G357 K361 L362G357-A359 VanDerWaalsContact C-N 3.28Å; G357-A359 PolarHBondContact O-N 2.94Å; A359-K361 PolarHBondContact O-N 3.32Å; A359-L362 WeakPolarHBondContact O-CB 3.31Å; A359-L362 PolarHBondContact O-N 2.75Å
360D87.8Confident93Very high121 Ų12152.5 Ų52.565%0.64731%0.307SS*.THydrogen-bonded Turntrans-59.8121.7-177.4-77-5000111.1N358 L362N358-D360 VanDerWaalsContact C-N 3.27Å; N358-D360 PolarHBondContact OD1-N 3.5Å; D360-L362 PolarHBondContact O-N 2.88Å
361K90.8Very high92.6Very high147 Ų14756.6 Ų56.664%0.63933%0.332SS*.THydrogen-bonded Turntrans59.526.9-175.6-49180-174.5-177.40113.7G331 V339 A359G331-K361 PolarHBondContact N-O 2.77Å; V339-K361 HydrophobicContact CB-CB 4.47Å; V339-K361 HydrophobicContact CG1-CB 4.05Å; V339-K361 HydrophobicContact CG1-CD 3.95Å; V339-K361 HydrophobicContact CG2-CB 4.25Å; V339-K361 HydrophobicContact CG2-CD 4.42Å; A359-K361 PolarHBondContact O-N 3.32Å
362L95.8Very high92.1Very high18 Ų1860.7 Ų60.79%0.09435%0.345CS..EExtended strand (participates in β ladder)trans-109.7155.7166.4-57.5-173.7000110.3I328 I341 L350 R353 N358 A359 D360I328-L362 HydrophobicContact CG2-CD1 4.06Å; I341-L362 HydrophobicContact CD1-CD2 3.58Å; L350-L362 HydrophobicContact CD2-CD2 3.53Å; R353-L362 HydrophobicContact CB-CD1 3.89Å; N358-L362 WeakPolarHBondContact O-CD1 3.48Å; A359-L362 WeakPolarHBondContact O-CB 3.31Å; A359-L362 PolarHBondContact O-N 2.75Å; D360-L362 PolarHBondContact O-N 2.88Å
363V96.4Very high91.6Very high14 Ų1460.1 Ų60.19%0.08534%0.341CS..EExtended strand (participates in β ladder)trans-121.1123.5165.2171.30000107.8I329 L365I329-V363 HydrophobicContact CD1-CB 4.39Å; I329-V363 HydrophobicContact CD1-CG1 4.42Å; I329-V363 HydrophobicContact CG1-CB 3.88Å; I329-V363 HydrophobicContact CG1-CG1 4.31Å; I329-V363 PolarHBondContact N-O 2.87Å; I329-V363 PolarHBondContact O-N 3.49Å; V363-L365 HydrophobicContact CG1-CD2 3.67Å; V363-L365 HydrophobicContact CG1-CG 4.06Å
364T97.3Very high91.3Very high35 Ų3564.7 Ų64.722%0.21537%0.365CS..EExtended strand (participates in β ladder)trans-103.2111.5-179.3-58.90000109T326 H354 P400T326-T364 HydrophobicContact CG2-CG2 3.64Å; H354-T364 PolarHBondContact CD2-OG1 3.19Å; H354-T364 WeakPolarHBondContact NE2-CG2 3.29Å; T364-P400 VanDerWaalsContact O-CD 3.29Å; T364-P400 WeakPolarHBondContact O-CD 3.26Å
365L97.9Very high90.8Very high1 Ų169.9 Ų69.91%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-104.9153.6177.5-53176.3000110.2T326 V327 I329 V363 I397 I398 H399 V407 M426T326-L365 CarbonylContact C-O 3.46Å; T326-L365 WeakPolarHBondContact CA-O 3.48Å; V327-L365 HydrophobicContact CB-CB 4.3Å; V327-L365 PolarHBondContact N-O 3.06Å; V327-L365 PolarHBondContact O-N 2.83Å; I329-L365 HydrophobicContact CD1-CD1 3.97Å; V363-L365 HydrophobicContact CG1-CD2 3.67Å; V363-L365 HydrophobicContact CG1-CG 4.06Å; L365-I397 HydrophobicContact CB-CG2 3.52Å; L365-I397 HydrophobicContact CD1-CG2 3.92Å; L365-I397 HydrophobicContact CG-CG2 4.33Å; L365-I398 VanDerWaalsContact CA-O 3.31Å; L365-I398 WeakPolarHBondContact CA-O 3.25Å; L365-I398 WeakPolarHBondContact CB-O 3.31Å; L365-H399 HydrophobicContact CD2-CB 4.11Å; L365-V407 HydrophobicContact CD1-CB 4.23Å; L365-V407 HydrophobicContact CD1-CG1 3.81Å; L365-V407 HydrophobicContact CD1-CG2 4.36Å; L365-V407 HydrophobicContact CD2-CG2 4.1Å; L365-M426 HydrophobicContact CD1-CE 4.11Å
366V96.7Very high90.3Very high45 Ų4569.6 Ų69.627%0.27338%0.384SS..EExtended strand (participates in β ladder)trans-129.6159178.2-64.80000110.4M325 I397 I398M325-V366 CarbonylContact O-C 3.53Å; M325-V366 WeakPolarHBondContact O-CA 3.32Å; V366-I397 WeakPolarHBondContact O-CA 3.44Å; V366-I398 HydrophobicContact CG2-CD1 4.31Å; V366-I398 HydrophobicContact CG2-CG1 4Å; V366-I398 PolarHBondContact N-O 2.79Å; V366-I398 WeakPolarHBondContact O-CG1 2.86Å; V366-I398 PolarHBondContact O-N 3.26Å
367N94.5Very high89.7Confident26 Ų2671 Ų7114%0.13939%0.387CS..EExtended strand (participates in β ladder)trans-67.2138.8166.171.1-87.2000110.4K324 M325 S369 Q396 I397K324-N367 WeakPolarHBondContact CA-OD1 3.41Å; M325-N367 HydrophobicContact CB-CB 4.25Å; M325-N367 PolarHBondContact N-OD1 3.27Å; M325-N367 PolarHBondContact O-N 2.74Å; N367-S369 PolarHBondContact O-N 3.42Å; N367-Q396 CarbonylContact C-O 3.59Å; N367-Q396 WeakPolarHBondContact CA-O 3.25Å; N367-I397 HydrophobicContact CB-CD1 4.22Å
368K94.3Very high89.3Confident30 Ų3069.4 Ų69.413%0.1337%0.366CS..PPolyproline II helixtrans-62.9137.6169.2-165.5162.6-169.2162.80108.8L381 Q396 I398 E403 D404 I406K368-L381 HydrophobicContact CB-CD2 4.34Å; K368-L381 HydrophobicContact CG-CD2 4.3Å; K368-Q396 HydrophobicContact CB-CB 4.26Å; K368-Q396 PolarHBondContact N-O 2.81Å; K368-I398 HydrophobicContact CB-CD1 3.9Å; K368-I398 HydrophobicContact CB-CG1 4.08Å; K368-I398 HydrophobicContact CB-CG2 4.08Å; K368-I398 HydrophobicContact CD-CD1 4.46Å; K368-I398 HydrophobicContact CD-CG2 4.23Å; K368-I398 HydrophobicContact CG-CD1 3.96Å; K368-E403 WeakPolarHBondContact CD-O 3.38Å; K368-E403 WeakPolarHBondContact CE-O 3.43Å; K368-E403 PolarHBondContact NZ-O 3.31Å; K368-D404 IonicContact NZ-OD1 3.22Å; K368-D404 PolarHBondContact NZ-OD1 2.7Å; K368-I406 HydrophobicContact CD-CD1 4.29Å
369S90.4Very high88.8Confident83 Ų8371 Ų7158%0.5837%0.367SS*.PPolyproline II helixtrans-70.6135.7172.4-67.60000109.2N367N367-S369 PolarHBondContact O-N 3.42Å
370P88.1Confident88.8Confident19 Ų1968.8 Ų68.812%0.12335%0.348CS..PPolyproline II helixtrans-69.1139.9176.930.9-35.2000110.3P322 Y379 V380 L381P322-P370 HydrophobicContact CB-CG 4.45Å; P322-P370 HydrophobicContact CG-CG 3.98Å; P370-Y379 HydrophobicContact CB-CD1 4.47Å; P370-Y379 HydrophobicContact CG-CD1 4.12Å; P370-Y379 HydrophobicContact CG-CG 4.35Å; P370-V380 CarbonylContact C-O 3.52Å; P370-V380 VanDerWaalsContact CA-O 3.23Å; P370-V380 WeakPolarHBondContact CA-O 3.06Å; P370-V380 VanDerWaalsContact CB-O 3.29Å; P370-V380 WeakPolarHBondContact CB-O 3.44Å; P370-L381 HydrophobicContact CB-CD2 4.47Å; P370-L381 HydrophobicContact CB-CG 4.19Å
371T86.4Confident88.9Confident87 Ų8763.4 Ų63.453%0.53432%0.319SS..EExtended strand (participates in β ladder)trans-82.1148.2175.651.40000110.3Y379 V380T371-Y379 CarbonylContact O-C 3.5Å; T371-Y379 WeakPolarHBondContact O-CA 3.39Å; T371-V380 PolarHBondContact N-O 3.01Å; T371-V380 PolarHBondContact O-N 2.86Å
372W85.3Confident88.9Confident119 Ų11960.1 Ų60.145%0.45131%0.308SS..EExtended strand (participates in β ladder)trans-74.7128.6170.7179.8-105.4000109.9Q377 Y379W372-Q377 HydrophobicContact CH2-CB 4.38Å; W372-Q377 VanDerWaalsContact CH2-O 3.3Å; W372-Q377 WeakPolarHBondContact CH2-O 3.45Å; W372-Q377 HydrophobicContact CZ2-CB 4.36Å; W372-Y379 HydrophobicContact CB-CE1 4.31Å; W372-Y379 HydrophobicContact CE3-CD1 4.4Å; W372-Y379 AromaticContact CE3-CD2 3.89Å; W372-Y379 HydrophobicContact CE3-CD2 3.89Å; W372-Y379 HydrophobicContact CE3-CE1 4.27Å; W372-Y379 AromaticContact CE3-CE2 3.73Å; W372-Y379 HydrophobicContact CE3-CE2 3.73Å; W372-Y379 HydrophobicContact CE3-CG 4.23Å; W372-Y379 AromaticContact CE3-CZ 3.93Å; W372-Y379 HydrophobicContact CZ3-CD2 4.06Å; W372-Y379 AromaticContact CZ3-CE2 3.93Å; W372-Y379 HydrophobicContact CZ3-CE2 3.93Å
373N83.5Confident88.8Confident25 Ų2559.3 Ų59.313%0.13430%0.304CS..EExtended strand (participates in β ladder)trans-109.8115.2170.2179.2-15.9000109Q375 T376 Q377 S378 V380N373-Q375 WeakPolarHBondContact OD1-CB 3.01Å; N373-Q375 PolarHBondContact OD1-N 3.13Å; N373-T376 WeakPolarHBondContact CB-OG1 3.46Å; N373-T376 PolarHBondContact ND2-OG1 3.34Å; N373-T376 PolarHBondContact O-N 2.98Å; N373-T376 PolarHBondContact OD1-N 3.22Å; N373-Q377 WeakPolarHBondContact O-CA 3.49Å; N373-Q377 PolarHBondContact O-N 3.23Å; N373-S378 PolarHBondContact N-O 3.38Å; N373-S378 PolarHBondContact O-N 2.92Å; N373-S378 VanDerWaalsContact O-N 3.16Å; N373-V380 HydrophobicContact CB-CG1 4.15Å; N373-V380 HydrophobicContact CB-CG2 3.74Å
374E88.4Confident88.5Confident148 Ų14865.2 Ų65.269%0.69233%0.33SS*.THydrogen-bonded Turntrans-67.5-33.1-179.4-62.3-176.9158.800113T376 Q377E374-T376 VanDerWaalsContact C-N 3.34Å; E374-T376 PolarHBondContact O-N 2.95Å; E374-Q377 PolarHBondContact O-N 2.97Å; E374-Q377 PolarHBondContact O-NE2 2.72Å
375Q82.3Confident88.1Confident175 Ų17565.5 Ų65.582%0.81834%0.34SS*.THydrogen-bonded Turntrans-69.8-33.9-179.3-57.8-178.8-1.700111.6N373N373-Q375 WeakPolarHBondContact OD1-CB 3.01Å; N373-Q375 PolarHBondContact OD1-N 3.13Å
376T81.6Confident88Confident69 Ų6967.5 Ų67.542%0.42335%0.348SS..THydrogen-bonded Turntrans-101.63177.563.90000113.3N373 E374 S378N373-T376 WeakPolarHBondContact CB-OG1 3.46Å; N373-T376 PolarHBondContact ND2-OG1 3.34Å; N373-T376 PolarHBondContact O-N 2.98Å; N373-T376 PolarHBondContact OD1-N 3.22Å; E374-T376 VanDerWaalsContact C-N 3.34Å; E374-T376 PolarHBondContact O-N 2.95Å; T376-S378 VanDerWaalsContact C-OG 3.31Å; T376-S378 VanDerWaalsContact CB-OG 3.29Å; T376-S378 WeakPolarHBondContact CB-OG 3.38Å; T376-S378 WeakPolarHBondContact O-CB 3.17Å; T376-S378 PolarHBondContact O-N 3.24Å; T376-S378 VanDerWaalsContact O-N 3.12Å; T376-S378 PolarHBondContact O-OG 3.03Å; T376-S378 PolarHBondContact OG1-OG 3.11Å
377Q81.4Confident87.8Confident134 Ų13465.6 Ų65.663%0.62634%0.336SS*.THydrogen-bonded Turntrans42.344.4-175.3-68.9-70.4-59.700113.1W372 N373 E374W372-Q377 HydrophobicContact CH2-CB 4.38Å; W372-Q377 VanDerWaalsContact CH2-O 3.3Å; W372-Q377 WeakPolarHBondContact CH2-O 3.45Å; W372-Q377 HydrophobicContact CZ2-CB 4.36Å; N373-Q377 WeakPolarHBondContact O-CA 3.49Å; N373-Q377 PolarHBondContact O-N 3.23Å; E374-Q377 PolarHBondContact O-N 2.97Å; E374-Q377 PolarHBondContact O-NE2 2.72Å
378S79.1Confident87.6Confident31 Ų3167.2 Ų67.222%0.21735%0.347CS..EExtended strand (participates in β ladder)trans-154.5156.5-170.243.10000114N373 T376N373-S378 PolarHBondContact N-O 3.38Å; N373-S378 PolarHBondContact O-N 2.92Å; N373-S378 VanDerWaalsContact O-N 3.16Å; T376-S378 VanDerWaalsContact C-OG 3.31Å; T376-S378 VanDerWaalsContact CB-OG 3.29Å; T376-S378 WeakPolarHBondContact CB-OG 3.38Å; T376-S378 WeakPolarHBondContact O-CB 3.17Å; T376-S378 PolarHBondContact O-N 3.24Å; T376-S378 VanDerWaalsContact O-N 3.12Å; T376-S378 PolarHBondContact O-OG 3.03Å; T376-S378 PolarHBondContact OG1-OG 3.11Å
379Y81.9Confident87.2Confident108 Ų10869 Ų6942%0.42436%0.356SS..EExtended strand (participates in β ladder)trans-78.5120.2172.8-74.4-78.2000110.8P370 T371 W372P370-Y379 HydrophobicContact CB-CD1 4.47Å; P370-Y379 HydrophobicContact CG-CD1 4.12Å; P370-Y379 HydrophobicContact CG-CG 4.35Å; T371-Y379 CarbonylContact O-C 3.5Å; T371-Y379 WeakPolarHBondContact O-CA 3.39Å; W372-Y379 HydrophobicContact CB-CE1 4.31Å; W372-Y379 HydrophobicContact CE3-CD1 4.4Å; W372-Y379 AromaticContact CE3-CD2 3.89Å; W372-Y379 HydrophobicContact CE3-CD2 3.89Å; W372-Y379 HydrophobicContact CE3-CE1 4.27Å; W372-Y379 AromaticContact CE3-CE2 3.73Å; W372-Y379 HydrophobicContact CE3-CE2 3.73Å; W372-Y379 HydrophobicContact CE3-CG 4.23Å; W372-Y379 AromaticContact CE3-CZ 3.93Å; W372-Y379 HydrophobicContact CZ3-CD2 4.06Å; W372-Y379 AromaticContact CZ3-CE2 3.93Å; W372-Y379 HydrophobicContact CZ3-CE2 3.93Å
380V84.9Confident86.9Confident9 Ų966.6 Ų66.66%0.05534%0.341CS..EExtended strand (participates in β ladder)trans-125.2163.3-173.9-59.40000112.2V33 P370 T371 N373V33-V380 HydrophobicContact CB-CG1 4.3Å; V33-V380 WeakPolarHBondContact O-CB 3.19Å; P370-V380 CarbonylContact C-O 3.52Å; P370-V380 VanDerWaalsContact CA-O 3.23Å; P370-V380 WeakPolarHBondContact CA-O 3.06Å; P370-V380 VanDerWaalsContact CB-O 3.29Å; P370-V380 WeakPolarHBondContact CB-O 3.44Å; T371-V380 PolarHBondContact N-O 3.01Å; T371-V380 PolarHBondContact O-N 2.86Å; N373-V380 HydrophobicContact CB-CG1 4.15Å; N373-V380 HydrophobicContact CB-CG2 3.74Å
381L89.7Confident86.7Confident8 Ų866.2 Ų66.24%0.04234%0.339CS..EExtended strand (participates in β ladder)trans-129.8144.2162.4-77174.8000108.9V32 V33 N35 K368 P370 F383 Q396V32-L381 HydrophobicContact CG1-CB 3.93Å; V32-L381 HydrophobicContact CG1-CD1 4.22Å; V32-L381 HydrophobicContact CG1-CG 4.04Å; V33-L381 PolarHBondContact O-N 3.01Å; N35-L381 PolarHBondContact N-O 2.74Å; K368-L381 HydrophobicContact CB-CD2 4.34Å; K368-L381 HydrophobicContact CG-CD2 4.3Å; P370-L381 HydrophobicContact CB-CD2 4.47Å; P370-L381 HydrophobicContact CB-CG 4.19Å; L381-F383 HydrophobicContact CB-CD2 4.13Å; L381-F383 HydrophobicContact CB-CE2 3.52Å; L381-F383 HydrophobicContact CB-CZ 3.88Å; L381-F383 HydrophobicContact CD1-CZ 4.09Å; L381-F383 WeakPolarHBondContact O-CD2 3.17Å; L381-F383 PolarHBondContact O-N 2.7Å; L381-Q396 HydrophobicContact CD1-CB 4.38Å; L381-Q396 HydrophobicContact CD1-CG 4.29Å
382N91Very high86.4Confident78 Ų7865.1 Ų65.142%0.41733%0.332SS..  trans-88103.2177.3179.314.1000110.4H384 Q396N382-H384 PolarHBondContact ND2-NE2 2.77Å; N382-H384 PolarHBondContact OD1-N 2.96Å; N382-Q396 PolarHBondContact O-NE2 3.48Å
383F93.3Very high86.4Confident1 Ų162.2 Ų62.20%0.00432%0.323CS..  trans-95.712.3176.8-64.4-86000113.5V32 A34 L381 G385 R386 V387 N394 Q396 Q409V32-F383 HydrophobicContact CG1-CE2 4.22Å; A34-F383 HydrophobicContact CB-CB 4.44Å; A34-F383 HydrophobicContact CB-CD2 3.62Å; A34-F383 HydrophobicContact CB-CE2 4.33Å; A34-F383 HydrophobicContact CB-CG 4.42Å; L381-F383 HydrophobicContact CB-CD2 4.13Å; L381-F383 HydrophobicContact CB-CE2 3.52Å; L381-F383 HydrophobicContact CB-CZ 3.88Å; L381-F383 HydrophobicContact CD1-CZ 4.09Å; L381-F383 WeakPolarHBondContact O-CD2 3.17Å; L381-F383 PolarHBondContact O-N 2.7Å; F383-G385 PolarHBondContact O-N 2.86Å; F383-G385 VanDerWaalsContact O-N 3.08Å; F383-R386 WeakPolarHBondContact O-CB 3.39Å; F383-R386 PolarHBondContact O-N 2.9Å; F383-V387 HydrophobicContact CB-CB 3.64Å; F383-V387 HydrophobicContact CB-CG2 3.73Å; F383-V387 HydrophobicContact CD1-CB 4.08Å; F383-V387 HydrophobicContact CD1-CG2 3.42Å; F383-V387 VanDerWaalsContact CD1-CG2 3.42Å; F383-V387 HydrophobicContact CD2-CB 3.89Å; F383-V387 HydrophobicContact CD2-CG1 4.29Å; F383-V387 HydrophobicContact CD2-CG2 4.15Å; F383-V387 HydrophobicContact CE1-CG2 3.99Å; F383-V387 HydrophobicContact CG-CB 3.62Å; F383-V387 HydrophobicContact CG-CG1 4.44Å; F383-V387 HydrophobicContact CG-CG2 3.51Å; F383-N394 HydrophobicContact CE2-CB 4.05Å; F383-N394 HydrophobicContact CZ-CB 3.8Å; F383-Q396 HydrophobicContact CD1-CG 4.04Å; F383-Q396 HydrophobicContact CE1-CG 3.59Å; F383-Q396 HydrophobicContact CZ-CG 4.21Å; F383-Q409 HydrophobicContact CD1-CB 4.2Å; F383-Q409 HydrophobicContact CE1-CB 4.36Å
384H89.9Confident86.8Confident138 Ų13861.4 Ų61.464%0.63932%0.318SS*.THydrogen-bonded Turntrans51.637.3177.1-5695000113.8N382 R386N382-H384 PolarHBondContact ND2-NE2 2.77Å; N382-H384 PolarHBondContact OD1-N 2.96Å; H384-R386 PolarHBondContact O-N 3.31Å
385G90.5Very high87Confident41 Ų4155.3 Ų55.342%0.42329%0.29SS..THydrogen-bonded Turntrans75.7-7.2-176.900000116.2F383 V387F383-G385 PolarHBondContact O-N 2.86Å; F383-G385 VanDerWaalsContact O-N 3.08Å; G385-V387 VanDerWaalsContact C-N 3.25Å; G385-V387 PolarHBondContact O-N 2.83Å
386R94Very high87.7Confident44 Ų4447.3 Ų47.317%0.16625%0.252CS..SBendtrans-64.4-29.3176.4-65.1-75-61.6155.214.2112.2C208 E230 F383 H384 V413 S419 D421C208-R386 PolarHBondContact O-NH2 2.84Å; E230-R386 IonicContact OE2-CZ 3.32Å; E230-R386 VanDerWaalsContact OE2-CZ 3.32Å; E230-R386 IonicContact OE2-NH1 2.83Å; E230-R386 PolarHBondContact OE2-NH1 3.25Å; E230-R386 IonicContact OE2-NH2 2.86Å; E230-R386 PolarHBondContact OE2-NH2 2.66Å; F383-R386 WeakPolarHBondContact O-CB 3.39Å; F383-R386 PolarHBondContact O-N 2.9Å; H384-R386 PolarHBondContact O-N 3.31Å; R386-V413 VanDerWaalsContact O-CG2 3.28Å; R386-V413 WeakPolarHBondContact O-CG2 3.38Å; R386-S419 VanDerWaalsContact O-CB 3.27Å; R386-S419 WeakPolarHBondContact O-CB 3.35Å; R386-S419 PolarHBondContact O-OG 2.85Å; R386-D421 WeakPolarHBondContact CG-OD2 3.41Å; R386-D421 IonicContact CZ-OD1 3.25Å; R386-D421 VanDerWaalsContact CZ-OD1 3.25Å; R386-D421 IonicContact CZ-OD2 3.74Å; R386-D421 IonicContact NE-OD1 2.68Å; R386-D421 PolarHBondContact NE-OD1 2.93Å; R386-D421 IonicContact NE-OD2 2.75Å; R386-D421 PolarHBondContact NE-OD2 3.19Å; R386-D421 IonicContact NH2-OD1 2.69Å; R386-D421 PolarHBondContact NH2-OD1 3.15Å; R386-D421 IonicContact NH2-OD2 3.84Å
387V92.8Very high88.5Confident4 Ų444 Ų442%0.02423%0.232CC..  trans-113.2138.3175.1-179.40000109.1A34 F383 G385 R412 S419A34-V387 HydrophobicContact CB-CB 3.86Å; A34-V387 HydrophobicContact CB-CG1 3.79Å; A34-V387 WeakPolarHBondContact CB-O 3.35Å; F383-V387 HydrophobicContact CB-CB 3.64Å; F383-V387 HydrophobicContact CB-CG2 3.73Å; F383-V387 HydrophobicContact CD1-CB 4.08Å; F383-V387 HydrophobicContact CD1-CG2 3.42Å; F383-V387 VanDerWaalsContact CD1-CG2 3.42Å; F383-V387 HydrophobicContact CD2-CB 3.89Å; F383-V387 HydrophobicContact CD2-CG1 4.29Å; F383-V387 HydrophobicContact CD2-CG2 4.15Å; F383-V387 HydrophobicContact CE1-CG2 3.99Å; F383-V387 HydrophobicContact CG-CB 3.62Å; F383-V387 HydrophobicContact CG-CG1 4.44Å; F383-V387 HydrophobicContact CG-CG2 3.51Å; G385-V387 VanDerWaalsContact C-N 3.25Å; G385-V387 PolarHBondContact O-N 2.83Å; V387-R412 WeakPolarHBondContact CG1-O 3.34Å; V387-S419 WeakPolarHBondContact CG2-OG 3.5Å
388T90.9Very high89.3Confident61 Ų6137.8 Ų37.837%0.37420%0.203SC..  trans-135.1-11.8-172.7680000115.3R412 V413T388-R412 PolarHBondContact N-O 3.46Å; T388-V413 HydrophobicContact CG2-CG1 4.2Å; T388-V413 WeakPolarHBondContact OG1-CG1 3.24Å; T388-V413 PolarHBondContact OG1-O 3.06Å
389Q86.6Confident90.1Very high66 Ų6637.8 Ų37.831%0.30820%0.199SC..BIsolated β-bridgetrans-116.8134.9175.3-58.7-166100110.1N394 R412 V413Q389-N394 PolarHBondContact O-ND2 3.31Å; Q389-R412 HydrophobicContact CB-CB 4.17Å; Q389-R412 HydrophobicContact CB-CG 3.98Å; Q389-R412 PolarHBondContact N-O 3.15Å; Q389-R412 VanDerWaalsContact OE1-NH2 3.1Å; Q389-V413 PolarHBondContact NE2-O 3.21Å
390A83.8Confident90.7Very high33 Ų3335.7 Ų35.727%0.27320%0.199SC..  trans-63.5140.8176.400000111.2M31 V33M31-A390 HydrophobicContact CB-CB 4.04Å; M31-A390 HydrophobicContact CE-CB 4.49Å; M31-A390 WeakPolarHBondContact CE-O 3.33Å; V33-A390 HydrophobicContact CB-CB 4.42Å; V33-A390 HydrophobicContact CG2-CB 4.06Å
391S84Confident91.2Very high11 Ų1140.2 Ų40.28%0.07722%0.223CC..BIsolated β-bridgetrans-161.7144.5176.5-155.40000113M31 V32 K393 N394M31-S391 VanDerWaalsContact SD-CA 3.58Å; V32-S391 PolarHBondContact O-N 3.35Å; S391-K393 PolarHBondContact O-N 2.69Å; S391-K393 PolarHBondContact OG-N 2.85Å; S391-N394 WeakPolarHBondContact CB-OD1 2.98Å; S391-N394 PolarHBondContact N-ND2 2.77Å; S391-N394 VanDerWaalsContact N-ND2 3.11Å; S391-N394 WeakPolarHBondContact O-CB 3.44Å; S391-N394 PolarHBondContact O-N 3.49Å
392V79.3Confident91.5Very high65 Ų6543.8 Ų43.839%0.39424%0.242SC..THydrogen-bonded Turntrans-65.42.9161.7-60.30000113.8A29 M31A29-V392 HydrophobicContact CB-CG1 4.46Å; M31-V392 HydrophobicContact CG-CG1 4.22Å; M31-V392 HydrophobicContact SD-CG1 3.96Å; M31-V392 PolarHBondContact SD-N 2.55Å
393K84.8Confident91.6Very high58 Ų5845 Ų4525%0.25225%0.246SC..THydrogen-bonded Turntrans-104.7-3.8170.6-67.2-175.9173.3590113.4S391 F395 F410 S438 F439S391-K393 PolarHBondContact O-N 2.69Å; S391-K393 PolarHBondContact OG-N 2.85Å; K393-F395 VanDerWaalsContact O-CD1 3.26Å; K393-F395 WeakPolarHBondContact O-CD1 3.46Å; K393-F410 HydrophobicContact CB-CE1 4.31Å; K393-F410 VanDerWaalsContact O-CD1 3.27Å; K393-F410 WeakPolarHBondContact O-CD1 3.33Å; K393-S438 VanDerWaalsContact CE-O 3.27Å; K393-S438 WeakPolarHBondContact CE-O 3.24Å; K393-F439 HydrophobicContact CD-CD1 4.04Å; K393-F439 HydrophobicContact CD-CE1 4.12Å
394N91.8Very high91.6Very high7 Ų751.4 Ų51.44%0.03728%0.28CS..  trans-79.7121.2176.9-63.7-9.7000108.6V32 F383 Q389 S391 F410 G411 R412V32-N394 HydrophobicContact CB-CB 4.22Å; V32-N394 PolarHBondContact O-ND2 3.09Å; F383-N394 HydrophobicContact CE2-CB 4.05Å; F383-N394 HydrophobicContact CZ-CB 3.8Å; Q389-N394 PolarHBondContact O-ND2 3.31Å; S391-N394 WeakPolarHBondContact CB-OD1 2.98Å; S391-N394 PolarHBondContact N-ND2 2.77Å; S391-N394 VanDerWaalsContact N-ND2 3.11Å; S391-N394 WeakPolarHBondContact O-CB 3.44Å; S391-N394 PolarHBondContact O-N 3.49Å; N394-F410 CarbonylContact C-O 3.49Å; N394-F410 WeakPolarHBondContact CA-O 3.41Å; N394-G411 WeakPolarHBondContact OD1-CA 3.46Å; N394-R412 PolarHBondContact OD1-N 2.97Å
395F94.2Very high91.9Very high20 Ų2047.9 Ų47.99%0.08826%0.261CS..EExtended strand (participates in β ladder)trans-150156.1178.462.9-98.7000112.3M325 K393 I397 M408 F410 I434M325-F395 HydrophobicContact CE-CE2 4.03Å; M325-F395 HydrophobicContact CE-CZ 4.12Å; M325-F395 HydrophobicContact SD-CD2 4.45Å; M325-F395 HydrophobicContact SD-CE2 4.44Å; K393-F395 VanDerWaalsContact O-CD1 3.26Å; K393-F395 WeakPolarHBondContact O-CD1 3.46Å; F395-I397 HydrophobicContact CD2-CD1 3.59Å; F395-I397 HydrophobicContact CD2-CG1 3.75Å; F395-I397 HydrophobicContact CE2-CD1 3.88Å; F395-I397 HydrophobicContact CE2-CG1 3.77Å; F395-M408 HydrophobicContact CE2-CE 4.32Å; F395-M408 HydrophobicContact CE2-SD 4.22Å; F395-M408 HydrophobicContact CZ-CE 4.38Å; F395-F410 HydrophobicContact CD1-CD1 4.12Å; F395-F410 HydrophobicContact CD2-CB 4.44Å; F395-F410 HydrophobicContact CE1-CB 4.04Å; F395-F410 AromaticContact CE1-CD1 3.48Å; F395-F410 HydrophobicContact CE1-CD1 3.48Å; F395-F410 VanDerWaalsContact CE1-CD1 3.48Å; F395-F410 HydrophobicContact CE1-CE1 4.37Å; F395-F410 HydrophobicContact CE1-CG 4.14Å; F395-F410 HydrophobicContact CE2-CB 3.96Å; F395-F410 HydrophobicContact CZ-CB 3.74Å; F395-F410 AromaticContact CZ-CD1 3.9Å; F395-F410 HydrophobicContact CZ-CD1 3.9Å; F395-F410 HydrophobicContact CZ-CG 4.12Å; F395-F410 PolarHBondContact N-O 3.36Å; F395-F410 PolarHBondContact O-N 3.32Å; F395-I434 HydrophobicContact CE2-CG2 4.32Å; F395-I434 HydrophobicContact CZ-CG2 4.21Å
396Q96.9Very high92.3Very high7 Ų747.7 Ų47.73%0.03325%0.25CS..EExtended strand (participates in β ladder)trans-119.3141.7167.1-66.8178.3-4200107.8N367 K368 L381 N382 F383 I406 M408 Q409N367-Q396 CarbonylContact C-O 3.59Å; N367-Q396 WeakPolarHBondContact CA-O 3.25Å; K368-Q396 HydrophobicContact CB-CB 4.26Å; K368-Q396 PolarHBondContact N-O 2.81Å; L381-Q396 HydrophobicContact CD1-CB 4.38Å; L381-Q396 HydrophobicContact CD1-CG 4.29Å; N382-Q396 PolarHBondContact O-NE2 3.48Å; F383-Q396 HydrophobicContact CD1-CG 4.04Å; F383-Q396 HydrophobicContact CE1-CG 3.59Å; F383-Q396 HydrophobicContact CZ-CG 4.21Å; Q396-I406 HydrophobicContact CB-CD1 4.35Å; Q396-I406 HydrophobicContact CB-CG2 4.19Å; Q396-I406 HydrophobicContact CG-CG2 4.3Å; Q396-M408 CarbonylContact C-O 3.6Å; Q396-M408 WeakPolarHBondContact CA-O 3.41Å; Q396-Q409 HydrophobicContact CG-CB 3.82Å; Q396-Q409 VanDerWaalsContact NE2-OE1 3.16Å
397I97.8Very high92.5Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-112132.5177.6-54.2-58.9000108.4M325 V327 L365 V366 N367 F395 V407 M408M325-I397 HydrophobicContact CE-CD1 3.78Å; M325-I397 HydrophobicContact CG-CD1 4.47Å; M325-I397 HydrophobicContact SD-CD1 4Å; V327-I397 HydrophobicContact CG2-CD1 4.36Å; L365-I397 HydrophobicContact CB-CG2 3.52Å; L365-I397 HydrophobicContact CD1-CG2 3.92Å; L365-I397 HydrophobicContact CG-CG2 4.33Å; V366-I397 WeakPolarHBondContact O-CA 3.44Å; N367-I397 HydrophobicContact CB-CD1 4.22Å; F395-I397 HydrophobicContact CD2-CD1 3.59Å; F395-I397 HydrophobicContact CD2-CG1 3.75Å; F395-I397 HydrophobicContact CE2-CD1 3.88Å; F395-I397 HydrophobicContact CE2-CG1 3.77Å; I397-V407 PolarHBondContact O-N 2.81Å; I397-M408 HydrophobicContact CB-CB 4.08Å; I397-M408 HydrophobicContact CG1-CB 4.22Å; I397-M408 HydrophobicContact CG1-SD 4.43Å; I397-M408 PolarHBondContact N-O 3.2Å; I397-M408 PolarHBondContact O-N 2.76Å
398I97.8Very high92.7Very high3 Ų345.5 Ų45.52%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-135.4162.9-172.854.2161.2000110.8L365 V366 K368 E403 I406L365-I398 VanDerWaalsContact CA-O 3.31Å; L365-I398 WeakPolarHBondContact CA-O 3.25Å; L365-I398 WeakPolarHBondContact CB-O 3.31Å; V366-I398 HydrophobicContact CG2-CD1 4.31Å; V366-I398 HydrophobicContact CG2-CG1 4Å; V366-I398 PolarHBondContact N-O 2.79Å; V366-I398 WeakPolarHBondContact O-CG1 2.86Å; V366-I398 PolarHBondContact O-N 3.26Å; K368-I398 HydrophobicContact CB-CD1 3.9Å; K368-I398 HydrophobicContact CB-CG1 4.08Å; K368-I398 HydrophobicContact CB-CG2 4.08Å; K368-I398 HydrophobicContact CD-CD1 4.46Å; K368-I398 HydrophobicContact CD-CG2 4.23Å; K368-I398 HydrophobicContact CG-CD1 3.96Å; I398-E403 HydrophobicContact CD1-CB 3.85Å; I398-E403 HydrophobicContact CD1-CG 3.8Å; I398-E403 WeakPolarHBondContact CG2-O 3.17Å; I398-I406 HydrophobicContact CG2-CD1 3.69Å
399H96.9Very high93Very high31 Ų3143.6 Ų43.614%0.14423%0.228CC..EExtended strand (participates in β ladder)trans-82.6138.5162.5-161.3-92.6000108.6L365 D401 N402L365-H399 HydrophobicContact CD2-CB 4.11Å; H399-D401 VanDerWaalsContact C-N 3.26Å; H399-D401 IonicContact CE1-OD2 2.84Å; H399-D401 PolarHBondContact CE1-OD2 3.08Å; H399-D401 VanDerWaalsContact CE1-OD2 3.25Å; H399-D401 PolarHBondContact ND1-N 2.8Å; H399-D401 IonicContact ND1-OD2 3.17Å; H399-D401 PolarHBondContact O-N 2.85Å; H399-N402 CarbonylContact O-C 3.57Å; H399-N402 PolarHBondContact O-N 3.27Å; H399-N402 VanDerWaalsContact O-O 3.06Å
400P94.7Very high93.5Very high64 Ų6440.4 Ų40.442%0.41621%0.214SC..THydrogen-bonded Turntrans-58.1-38.5179.222.4-33.3000112.6T364 N402T364-P400 VanDerWaalsContact O-CD 3.29Å; T364-P400 WeakPolarHBondContact O-CD 3.26Å; P400-N402 PolarHBondContact O-N 3.43Å
401D95.3Very high94.1Very high104 Ų10438.9 Ų38.956%0.55620%0.201SC*.THydrogen-bonded Turntrans-72.6-6.8179.1-47.5-9.8000114.1H399H399-D401 VanDerWaalsContact C-N 3.26Å; H399-D401 IonicContact CE1-OD2 2.84Å; H399-D401 PolarHBondContact CE1-OD2 3.08Å; H399-D401 VanDerWaalsContact CE1-OD2 3.25Å; H399-D401 PolarHBondContact ND1-N 2.8Å; H399-D401 IonicContact ND1-OD2 3.17Å; H399-D401 PolarHBondContact O-N 2.85Å
402N95.2Very high94.6Very high83 Ų8341.5 Ų41.544%0.44421%0.209SC..EExtended strand (participates in β ladder)trans-152.987.5-180-174.7-16.1000110.4H399 P400 D404 Y405H399-N402 CarbonylContact O-C 3.57Å; H399-N402 PolarHBondContact O-N 3.27Å; H399-N402 VanDerWaalsContact O-O 3.06Å; P400-N402 PolarHBondContact O-N 3.43Å; N402-D404 VanDerWaalsContact C-N 3.29Å; N402-D404 PolarHBondContact O-N 3.17Å; N402-D404 PolarHBondContact OD1-N 2.89Å; N402-Y405 PolarHBondContact OD1-N 3.04Å; N402-Y405 VanDerWaalsContact OD1-N 3.09Å
403E93.8Very high95.3Very high105 Ų10539.7 Ų39.749%0.49120%0.198SC..EExtended strand (participates in β ladder)trans-69.8-21.9-177.3-58.3-154.7170.600114.3K368 I398K368-E403 WeakPolarHBondContact CD-O 3.38Å; K368-E403 WeakPolarHBondContact CE-O 3.43Å; K368-E403 PolarHBondContact NZ-O 3.31Å; I398-E403 HydrophobicContact CD1-CB 3.85Å; I398-E403 HydrophobicContact CD1-CG 3.8Å; I398-E403 WeakPolarHBondContact CG2-O 3.17Å
404D93.3Very high95.8Very high135 Ų13538.6 Ų38.672%0.72220%0.2SC*.EExtended strand (participates in β ladder)trans-85.7-21.3-176.3-68-30.2000112.5K368 N402 I406K368-D404 IonicContact NZ-OD1 3.22Å; K368-D404 PolarHBondContact NZ-OD1 2.7Å; N402-D404 VanDerWaalsContact C-N 3.29Å; N402-D404 PolarHBondContact O-N 3.17Å; N402-D404 PolarHBondContact OD1-N 2.89Å; D404-I406 PolarHBondContact O-N 2.85Å; D404-I406 VanDerWaalsContact O-N 3.13Å
405Y96.3Very high95.7Very high63 Ų6343.5 Ų43.525%0.24722%0.222CC..EExtended strand (participates in β ladder)trans-78.196171.8-170.6-99.1000111.9N402 V407 S423 F424N402-Y405 PolarHBondContact OD1-N 3.04Å; N402-Y405 VanDerWaalsContact OD1-N 3.09Å; Y405-V407 HydrophobicContact CD1-CG2 3.8Å; Y405-V407 HydrophobicContact CE1-CG2 3.93Å; Y405-V407 PolarHBondContact O-N 3.5Å; Y405-V407 VanDerWaalsContact O-N 3.14Å; Y405-S423 VanDerWaalsContact OH-CB 3.3Å; Y405-S423 WeakPolarHBondContact OH-CB 3.26Å; Y405-F424 VanDerWaalsContact CE1-O 3.28Å; Y405-F424 WeakPolarHBondContact CE1-O 3.27Å; Y405-F424 PolarHBondContact OH-N 2.8Å; Y405-F424 PolarHBondContact OH-O 3.35Å; Y405-F424 VanDerWaalsContact OH-O 3.13Å
406I97.4Very high95.6Very high37 Ų3744.4 Ų44.419%0.1923%0.228CC..EExtended strand (participates in β ladder)trans-75.3100.1177.3-49.1-53.3000110.3K368 Q396 I398 D404 M408 Q409 S423K368-I406 HydrophobicContact CD-CD1 4.29Å; Q396-I406 HydrophobicContact CB-CD1 4.35Å; Q396-I406 HydrophobicContact CB-CG2 4.19Å; Q396-I406 HydrophobicContact CG-CG2 4.3Å; I398-I406 HydrophobicContact CG2-CD1 3.69Å; D404-I406 PolarHBondContact O-N 2.85Å; D404-I406 VanDerWaalsContact O-N 3.13Å; I406-M408 VanDerWaalsContact C-N 3.34Å; I406-M408 WeakPolarHBondContact CG2-O 3.28Å; I406-Q409 HydrophobicContact CG2-CB 3.98Å; I406-S423 PolarHBondContact O-OG 2.69Å; I406-S423 VanDerWaalsContact O-OG 3.07Å
407V98.2Very high95.5Very high2 Ų245.9 Ų45.91%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-69.1-35177.6-172.90000111.2L365 I397 Y405 Y422 S423 M426L365-V407 HydrophobicContact CD1-CB 4.23Å; L365-V407 HydrophobicContact CD1-CG1 3.81Å; L365-V407 HydrophobicContact CD1-CG2 4.36Å; L365-V407 HydrophobicContact CD2-CG2 4.1Å; I397-V407 PolarHBondContact O-N 2.81Å; Y405-V407 HydrophobicContact CD1-CG2 3.8Å; Y405-V407 HydrophobicContact CE1-CG2 3.93Å; Y405-V407 PolarHBondContact O-N 3.5Å; Y405-V407 VanDerWaalsContact O-N 3.14Å; V407-Y422 CarbonylContact O-C 3.59Å; V407-Y422 WeakPolarHBondContact O-CA 3.33Å; V407-S423 PolarHBondContact O-N 3.25Å; V407-M426 HydrophobicContact CG1-CB 4.24Å; V407-M426 HydrophobicContact CG1-CE 4.13Å
408M98.1Very high95.5Very high1 Ų146.1 Ų46.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-152140.6174.9-176.2-166.5175.900110.1F395 Q396 I397 I406 F410 M420 D421 M426 A431 I434 T435F395-M408 HydrophobicContact CE2-CE 4.32Å; F395-M408 HydrophobicContact CE2-SD 4.22Å; F395-M408 HydrophobicContact CZ-CE 4.38Å; Q396-M408 CarbonylContact C-O 3.6Å; Q396-M408 WeakPolarHBondContact CA-O 3.41Å; I397-M408 HydrophobicContact CB-CB 4.08Å; I397-M408 HydrophobicContact CG1-CB 4.22Å; I397-M408 HydrophobicContact CG1-SD 4.43Å; I397-M408 PolarHBondContact N-O 3.2Å; I397-M408 PolarHBondContact O-N 2.76Å; I406-M408 VanDerWaalsContact C-N 3.34Å; I406-M408 WeakPolarHBondContact CG2-O 3.28Å; M408-F410 HydrophobicContact CE-CB 4.27Å; M408-M420 HydrophobicContact CE-CG 3.75Å; M408-M420 HydrophobicContact CE-SD 4.23Å; M408-D421 CarbonylContact C-O 3.54Å; M408-D421 VanDerWaalsContact CA-O 3.29Å; M408-D421 WeakPolarHBondContact CA-O 3.46Å; M408-M426 HydrophobicContact CB-CE 4.14Å; M408-M426 HydrophobicContact CB-SD 3.9Å; M408-M426 HydrophobicContact CG-SD 4.09Å; M408-M426 HydrophobicContact SD-CE 4.4Å; M408-M426 HydrophobicContact SD-SD 3.82Å; M408-A431 HydrophobicContact CE-CB 4.14Å; M408-A431 WeakPolarHBondContact CE-O 3.47Å; M408-A431 HydrophobicContact SD-CB 4.3Å; M408-I434 HydrophobicContact CE-CB 4.28Å; M408-I434 HydrophobicContact CE-CG2 4.15Å; M408-I434 HydrophobicContact SD-CB 4.1Å; M408-I434 HydrophobicContact SD-CD1 4.27Å; M408-I434 HydrophobicContact SD-CG2 3.78Å; M408-T435 VanDerWaalsContact CE-OG1 3.23Å; M408-T435 WeakPolarHBondContact CE-OG1 3.31Å
409Q97.4Very high95.5Very high20 Ų2046 Ų469%0.09324%0.238CC..EExtended strand (participates in β ladder)trans-127.5143.7164.564.4174.8200111.8F383 Q396 I406 M420 D421F383-Q409 HydrophobicContact CD1-CB 4.2Å; F383-Q409 HydrophobicContact CE1-CB 4.36Å; Q396-Q409 HydrophobicContact CG-CB 3.82Å; Q396-Q409 VanDerWaalsContact NE2-OE1 3.16Å; I406-Q409 HydrophobicContact CG2-CB 3.98Å; Q409-M420 CarbonylContact O-C 3.58Å; Q409-M420 WeakPolarHBondContact O-CA 3.43Å; Q409-D421 HydrophobicContact CG-CB 3.89Å; Q409-D421 PolarHBondContact N-O 2.77Å; Q409-D421 PolarHBondContact NE2-OD2 3.03Å; Q409-D421 PolarHBondContact O-N 3.39Å
410F97.3Very high95.5Very high0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-143.2140.1-179.7177.1-105.3000110.9K393 N394 F395 M408 F418 S419 M420 T435 S438 F439K393-F410 HydrophobicContact CB-CE1 4.31Å; K393-F410 VanDerWaalsContact O-CD1 3.27Å; K393-F410 WeakPolarHBondContact O-CD1 3.33Å; N394-F410 CarbonylContact C-O 3.49Å; N394-F410 WeakPolarHBondContact CA-O 3.41Å; F395-F410 HydrophobicContact CD1-CD1 4.12Å; F395-F410 HydrophobicContact CD2-CB 4.44Å; F395-F410 HydrophobicContact CE1-CB 4.04Å; F395-F410 AromaticContact CE1-CD1 3.48Å; F395-F410 HydrophobicContact CE1-CD1 3.48Å; F395-F410 VanDerWaalsContact CE1-CD1 3.48Å; F395-F410 HydrophobicContact CE1-CE1 4.37Å; F395-F410 HydrophobicContact CE1-CG 4.14Å; F395-F410 HydrophobicContact CE2-CB 3.96Å; F395-F410 HydrophobicContact CZ-CB 3.74Å; F395-F410 AromaticContact CZ-CD1 3.9Å; F395-F410 HydrophobicContact CZ-CD1 3.9Å; F395-F410 HydrophobicContact CZ-CG 4.12Å; F395-F410 PolarHBondContact N-O 3.36Å; F395-F410 PolarHBondContact O-N 3.32Å; M408-F410 HydrophobicContact CE-CB 4.27Å; F410-F418 HydrophobicContact CD2-CB 4.44Å; F410-F418 HydrophobicContact CE1-CD1 4.45Å; F410-F418 HydrophobicContact CE2-CB 3.49Å; F410-F418 VanDerWaalsContact CE2-CB 3.49Å; F410-F418 HydrophobicContact CE2-CD1 4.38Å; F410-F418 HydrophobicContact CE2-CG 4.09Å; F410-F418 HydrophobicContact CZ-CB 3.78Å; F410-F418 AromaticContact CZ-CD1 3.78Å; F410-F418 HydrophobicContact CZ-CD1 3.78Å; F410-F418 AromaticContact CZ-CG 3.85Å; F410-F418 HydrophobicContact CZ-CG 3.85Å; F410-S419 WeakPolarHBondContact CA-O 3.37Å; F410-S419 WeakPolarHBondContact CD2-O 3.46Å; F410-M420 HydrophobicContact CD2-CB 3.92Å; F410-M420 HydrophobicContact CD2-CG 4.09Å; F410-T435 HydrophobicContact CD2-CG2 3.87Å; F410-T435 WeakPolarHBondContact CD2-OG1 3.41Å; F410-T435 HydrophobicContact CE1-CG2 4.35Å; F410-T435 HydrophobicContact CE2-CG2 3.34Å; F410-T435 WeakPolarHBondContact CG-OG1 3.37Å; F410-T435 HydrophobicContact CZ-CG2 3.63Å; F410-S438 WeakPolarHBondContact CE1-OG 3.31Å; F410-F439 HydrophobicContact CE2-CE2 4.48Å; F410-F439 AromaticContact CZ-CE2 3.74Å; F410-F439 HydrophobicContact CZ-CE2 3.74Å; F410-F439 AromaticContact CZ-CZ 3.71Å; F410-F439 HydrophobicContact CZ-CZ 3.71Å
411G95.2Very high95.7Very high0 Ų041.6 Ų41.60%021%0.212CC..EExtended strand (participates in β ladder)trans-177.5173.9172.900000115.8N394 F418 S419N394-G411 WeakPolarHBondContact OD1-CA 3.46Å; G411-F418 CarbonylContact O-C 3.57Å; G411-F418 WeakPolarHBondContact O-CA 3.27Å; G411-F418 WeakPolarHBondContact O-CB 3.2Å; G411-S419 PolarHBondContact N-O 2.79Å; G411-S419 VanDerWaalsContact N-O 3.12Å; G411-S419 PolarHBondContact O-N 2.72Å; G411-S419 PolarHBondContact O-OG 3.32Å
412R94.3Very high95.8Very high67 Ų6736.7 Ų36.725%0.25319%0.186SC..EExtended strand (participates in β ladder)trans-84.5136.5-171-169.7179.3171.1-165.2-11.1112.8V387 T388 Q389 N394 A414 F418V387-R412 WeakPolarHBondContact CG1-O 3.34Å; T388-R412 PolarHBondContact N-O 3.46Å; Q389-R412 HydrophobicContact CB-CB 4.17Å; Q389-R412 HydrophobicContact CB-CG 3.98Å; Q389-R412 PolarHBondContact N-O 3.15Å; Q389-R412 VanDerWaalsContact OE1-NH2 3.1Å; N394-R412 PolarHBondContact OD1-N 2.97Å; R412-A414 WeakPolarHBondContact CG-O 3.28Å; R412-A414 PolarHBondContact NE-O 2.75Å; R412-F418 HydrophobicContact CB-CD1 3.99Å; R412-F418 HydrophobicContact CB-CE1 3.96Å; R412-F418 HydrophobicContact CG-CD1 4.18Å; R412-F418 HydrophobicContact CG-CE1 3.8Å
413V95.4Very high96Very high26 Ų2632.9 Ų32.916%0.15817%0.166CC..SBendtrans-126.6-32.4178.9-165.10000112.1R386 T388 Q389 V417R386-V413 VanDerWaalsContact O-CG2 3.28Å; R386-V413 WeakPolarHBondContact O-CG2 3.38Å; T388-V413 HydrophobicContact CG2-CG1 4.2Å; T388-V413 WeakPolarHBondContact OG1-CG1 3.24Å; T388-V413 PolarHBondContact OG1-O 3.06Å; Q389-V413 PolarHBondContact NE2-O 3.21Å; V413-V417 PolarHBondContact N-O 3.17Å
414A94.5Very high96.2Very high35 Ų3528.5 Ų28.529%0.28915%0.145SC..SBendtrans-134.5-167.8166.600000110.3R412 V417R412-A414 WeakPolarHBondContact CG-O 3.28Å; R412-A414 PolarHBondContact NE-O 2.75Å; A414-V417 HydrophobicContact CB-CB 3.82Å; A414-V417 HydrophobicContact CB-CG2 3.99Å; A414-V417 PolarHBondContact N-O 3.24Å
415E89Confident96.4Very high110 Ų11022.4 Ų22.451%0.51411%0.113SC..SBendtrans-66.8-40.7176.6-159-171.7145.300113.3R212 R214R212-E415 PolarHBondContact NH2-O 2.95Å; R212-E415 VanDerWaalsContact NH2-O 3.15Å; R214-E415 IonicContact CZ-OE1 3.63Å; R214-E415 IonicContact NH1-OE1 2.72Å; R214-E415 PolarHBondContact NH1-OE1 3.17Å; R214-E415 VanDerWaalsContact NH2-CD 3.33Å; R214-E415 IonicContact NH2-OE1 2.64Å; R214-E415 PolarHBondContact NH2-OE1 3.01Å
416D92.6Very high96.4Very high40 Ų4019.4 Ų19.421%0.21410%0.101CC..SBendtrans-123.122-178-74.3-53.4000112.9T211 R212 R214T211-D416 CarbonylContact C-O 3.5Å; T211-D416 WeakPolarHBondContact CA-O 3.44Å; R212-D416 HydrophobicContact CB-CB 4.27Å; R212-D416 IonicContact CZ-OD1 2.67Å; R212-D416 PolarHBondContact N-O 3.14Å; R212-D416 IonicContact NE-OD1 2.89Å; R212-D416 PolarHBondContact NE-OD1 3.33Å; R212-D416 IonicContact NH2-OD1 3.99Å; R212-D416 PolarHBondContact NH2-OD1 3.26Å; R212-D416 WeakPolarHBondContact O-CB 3.41Å; R214-D416 IonicContact CZ-OD1 2.97Å; R214-D416 IonicContact CZ-OD2 2.7Å; R214-D416 IonicContact NE-OD1 2.96Å; R214-D416 PolarHBondContact NE-OD1 3.15Å; R214-D416 IonicContact NE-OD2 2.66Å; R214-D416 PolarHBondContact NE-OD2 2.83Å; R214-D416 VanDerWaalsContact NE-OD2 3.11Å; R214-D416 IonicContact NH2-OD1 2.72Å; R214-D416 PolarHBondContact NH2-OD1 3Å; R214-D416 IonicContact NH2-OD2 3.31Å; R214-D416 PolarHBondContact NH2-OD2 2.99Å
417V95.8Very high96.4Very high38 Ų3817.7 Ų17.723%0.239%0.092CC..EExtended strand (participates in β ladder)trans-134.8130.1-179.8-167.50000110.7R209 T211 V413 A414R209-V417 HydrophobicContact CG-CG1 3.99Å; T211-V417 HydrophobicContact CG2-CG1 4.23Å; T211-V417 HydrophobicContact CG2-CG2 4.32Å; V413-V417 PolarHBondContact N-O 3.17Å; A414-V417 HydrophobicContact CB-CB 3.82Å; A414-V417 HydrophobicContact CB-CG2 3.99Å; A414-V417 PolarHBondContact N-O 3.24Å
418F96.9Very high96.4Very high4 Ų417.6 Ų17.62%0.0189%0.092CC..EExtended strand (participates in β ladder)trans-134145.9-172-52.2-95.6000109.4R209 V210 R212 F410 G411 R412 F439R209-F418 WeakPolarHBondContact CD-O 3.39Å; V210-F418 HydrophobicContact CB-CB 4.36Å; V210-F418 PolarHBondContact N-O 2.64Å; V210-F418 PolarHBondContact O-N 3.13Å; R212-F418 HydrophobicContact CB-CE2 4.46Å; F410-F418 HydrophobicContact CD2-CB 4.44Å; F410-F418 HydrophobicContact CE1-CD1 4.45Å; F410-F418 HydrophobicContact CE2-CB 3.49Å; F410-F418 VanDerWaalsContact CE2-CB 3.49Å; F410-F418 HydrophobicContact CE2-CD1 4.38Å; F410-F418 HydrophobicContact CE2-CG 4.09Å; F410-F418 HydrophobicContact CZ-CB 3.78Å; F410-F418 AromaticContact CZ-CD1 3.78Å; F410-F418 HydrophobicContact CZ-CD1 3.78Å; F410-F418 AromaticContact CZ-CG 3.85Å; F410-F418 HydrophobicContact CZ-CG 3.85Å; G411-F418 CarbonylContact O-C 3.57Å; G411-F418 WeakPolarHBondContact O-CA 3.27Å; G411-F418 WeakPolarHBondContact O-CB 3.2Å; R412-F418 HydrophobicContact CB-CD1 3.99Å; R412-F418 HydrophobicContact CB-CE1 3.96Å; R412-F418 HydrophobicContact CG-CD1 4.18Å; R412-F418 HydrophobicContact CG-CE1 3.8Å; F418-F439 HydrophobicContact CD1-CE1 4.44Å; F418-F439 HydrophobicContact CD1-CZ 4.07Å; F418-F439 HydrophobicContact CD2-CE1 4.29Å; F418-F439 AromaticContact CD2-CZ 3.66Å; F418-F439 HydrophobicContact CD2-CZ 3.66Å; F418-F439 AromaticContact CE1-CE1 3.9Å; F418-F439 HydrophobicContact CE1-CE1 3.9Å; F418-F439 AromaticContact CE1-CZ 3.98Å; F418-F439 HydrophobicContact CE1-CZ 3.98Å; F418-F439 AromaticContact CE2-CE1 3.73Å; F418-F439 HydrophobicContact CE2-CE1 3.73Å; F418-F439 AromaticContact CE2-CZ 3.56Å; F418-F439 HydrophobicContact CE2-CZ 3.56Å; F418-F439 AromaticContact CG-CZ 3.95Å; F418-F439 HydrophobicContact CG-CZ 3.95Å; F418-F439 AromaticContact CZ-CE1 3.53Å; F418-F439 HydrophobicContact CZ-CE1 3.53Å; F418-F439 AromaticContact CZ-CZ 3.75Å; F418-F439 HydrophobicContact CZ-CZ 3.75Å
419S97.6Very high96.4Very high1 Ų117.6 Ų17.61%0.0079%0.092CC..EExtended strand (participates in β ladder)trans-86.9144.1164.739.40000109.2R386 V387 F410 G411R386-S419 VanDerWaalsContact O-CB 3.27Å; R386-S419 WeakPolarHBondContact O-CB 3.35Å; R386-S419 PolarHBondContact O-OG 2.85Å; V387-S419 WeakPolarHBondContact CG2-OG 3.5Å; F410-S419 WeakPolarHBondContact CA-O 3.37Å; F410-S419 WeakPolarHBondContact CD2-O 3.46Å; G411-S419 PolarHBondContact N-O 2.79Å; G411-S419 VanDerWaalsContact N-O 3.12Å; G411-S419 PolarHBondContact O-N 2.72Å; G411-S419 PolarHBondContact O-OG 3.32Å
420M97.9Very high96.5Very high0 Ų016.6 Ų16.60%09%0.087CC..EExtended strand (participates in β ladder)trans-145108.1176.1-171.7-15887.500107C208 V210 L227 M408 Q409 F410 Y422 A431 F432C208-M420 CarbonylContact C-O 3.43Å; C208-M420 VanDerWaalsContact CA-O 3.25Å; C208-M420 WeakPolarHBondContact CA-O 3.33Å; C208-M420 HydrophobicContact CB-CE 4.2Å; C208-M420 WeakPolarHBondContact CB-O 3.45Å; C208-M420 PolarHBondContact N-O 2.83Å; C208-M420 PolarHBondContact O-N 3.11Å; V210-M420 HydrophobicContact CG2-CB 4.01Å; V210-M420 HydrophobicContact CG2-SD 4.12Å; L227-M420 HydrophobicContact CD1-CE 3.53Å; L227-M420 HydrophobicContact CD1-SD 3.88Å; L227-M420 HydrophobicContact CD2-CE 4.17Å; M408-M420 HydrophobicContact CE-CG 3.75Å; M408-M420 HydrophobicContact CE-SD 4.23Å; Q409-M420 CarbonylContact O-C 3.58Å; Q409-M420 WeakPolarHBondContact O-CA 3.43Å; F410-M420 HydrophobicContact CD2-CB 3.92Å; F410-M420 HydrophobicContact CD2-CG 4.09Å; M420-Y422 HydrophobicContact CE-CD1 3.98Å; M420-Y422 HydrophobicContact CE-CE1 4.37Å; M420-A431 HydrophobicContact CE-CB 3.56Å; M420-A431 HydrophobicContact SD-CB 4.05Å; M420-F432 HydrophobicContact SD-CB 4.41Å
421D98.1Very high96.5Very high2 Ų216.6 Ų16.61%0.0119%0.087CC..EExtended strand (participates in β ladder)trans-119.5143.5-179.5-42.9-41.3000108.7T205 I206 Q207 C208 R386 M408 Q409T205-D421 HydrophobicContact CG2-CB 3.83Å; I206-D421 WeakPolarHBondContact O-CA 3Å; Q207-D421 WeakPolarHBondContact CA-OD1 3.28Å; Q207-D421 HydrophobicContact CG-CB 4.48Å; C208-D421 PolarHBondContact N-OD1 3.27Å; R386-D421 WeakPolarHBondContact CG-OD2 3.41Å; R386-D421 IonicContact CZ-OD1 3.25Å; R386-D421 VanDerWaalsContact CZ-OD1 3.25Å; R386-D421 IonicContact CZ-OD2 3.74Å; R386-D421 IonicContact NE-OD1 2.68Å; R386-D421 PolarHBondContact NE-OD1 2.93Å; R386-D421 IonicContact NE-OD2 2.75Å; R386-D421 PolarHBondContact NE-OD2 3.19Å; R386-D421 IonicContact NH2-OD1 2.69Å; R386-D421 PolarHBondContact NH2-OD1 3.15Å; R386-D421 IonicContact NH2-OD2 3.84Å; M408-D421 CarbonylContact C-O 3.54Å; M408-D421 VanDerWaalsContact CA-O 3.29Å; M408-D421 WeakPolarHBondContact CA-O 3.46Å; Q409-D421 HydrophobicContact CG-CB 3.89Å; Q409-D421 PolarHBondContact N-O 2.77Å; Q409-D421 PolarHBondContact NE2-OD2 3.03Å; Q409-D421 PolarHBondContact O-N 3.39Å
422Y98.4Very high96.7Very high1 Ų116.6 Ų16.60%0.0049%0.087CC..EExtended strand (participates in β ladder)trans-144.1152.9-177.771.1-81.5000112.7A200 T205 I206 V407 M420 M426 A428 A431A200-Y422 HydrophobicContact CB-CD2 3.91Å; A200-Y422 HydrophobicContact CB-CE2 3.74Å; T205-Y422 CarbonylContact C-O 3.54Å; T205-Y422 WeakPolarHBondContact CA-O 3.38Å; I206-Y422 HydrophobicContact CB-CD1 4.26Å; I206-Y422 HydrophobicContact CB-CE1 3.75Å; I206-Y422 HydrophobicContact CB-CE2 4.31Å; I206-Y422 HydrophobicContact CD1-CE2 4.02Å; I206-Y422 WeakPolarHBondContact CD1-OH 3.38Å; I206-Y422 HydrophobicContact CG2-CE1 3.69Å; I206-Y422 PolarHBondContact N-O 2.97Å; I206-Y422 PolarHBondContact O-N 2.98Å; V407-Y422 CarbonylContact O-C 3.59Å; V407-Y422 WeakPolarHBondContact O-CA 3.33Å; M420-Y422 HydrophobicContact CE-CD1 3.98Å; M420-Y422 HydrophobicContact CE-CE1 4.37Å; Y422-M426 HydrophobicContact CD2-CB 4.24Å; Y422-M426 VanDerWaalsContact CD2-O 3.32Å; Y422-M426 WeakPolarHBondContact CD2-O 3.32Å; Y422-M426 WeakPolarHBondContact CE2-O 3.39Å; Y422-A428 HydrophobicContact CE1-CB 4.18Å; Y422-A428 WeakPolarHBondContact OH-CB 3.49Å; Y422-A431 HydrophobicContact CD1-CB 4.04Å; Y422-A431 HydrophobicContact CG-CB 3.95Å
423S98.3Very high96.9Very high3 Ų313.4 Ų13.42%0.0218%0.075CC..  trans-128.2173.1-175.9-44.60000109.9T205 Y405 I406 V407 M426T205-S423 PolarHBondContact OG1-OG 2.75Å; Y405-S423 VanDerWaalsContact OH-CB 3.3Å; Y405-S423 WeakPolarHBondContact OH-CB 3.26Å; I406-S423 PolarHBondContact O-OG 2.69Å; I406-S423 VanDerWaalsContact O-OG 3.07Å; V407-S423 PolarHBondContact O-N 3.25Å; S423-M426 WeakPolarHBondContact O-CB 3.15Å; S423-M426 PolarHBondContact O-N 3.36Å
424F97.9Very high97Very high14 Ų1412.2 Ų12.26%0.0617%0.068CC..THydrogen-bonded Turntrans-51.1142.8171.4-179-93.8000110.9P199 A200 R202 M332 D336 Y405P199-F424 HydrophobicContact CB-CD2 4.43Å; A200-F424 WeakPolarHBondContact O-CB 3.19Å; A200-F424 WeakPolarHBondContact O-CD2 3.49Å; R202-F424 HydrophobicContact CG-CD1 4.3Å; R202-F424 HydrophobicContact CG-CD2 4.19Å; R202-F424 HydrophobicContact CG-CE2 4.48Å; R202-F424 HydrophobicContact CG-CG 4.09Å; M332-F424 HydrophobicContact CB-CZ 4.2Å; M332-F424 HydrophobicContact CE-CE2 4.05Å; M332-F424 HydrophobicContact CE-CZ 4.41Å; M332-F424 HydrophobicContact CG-CE1 4.43Å; M332-F424 HydrophobicContact CG-CE2 4.34Å; M332-F424 HydrophobicContact CG-CZ 3.81Å; D336-F424 HydrophobicContact CB-CE2 3.87Å; D336-F424 HydrophobicContact CB-CZ 4.44Å; D336-F424 WeakPolarHBondContact OD1-CE2 3.34Å; D336-F424 VanDerWaalsContact OD1-CZ 3.27Å; D336-F424 WeakPolarHBondContact OD1-CZ 3.37Å; Y405-F424 VanDerWaalsContact CE1-O 3.28Å; Y405-F424 WeakPolarHBondContact CE1-O 3.27Å; Y405-F424 PolarHBondContact OH-N 2.8Å; Y405-F424 PolarHBondContact OH-O 3.35Å; Y405-F424 VanDerWaalsContact OH-O 3.13Å
425P97.6Very high97.1Very high7 Ų710.5 Ų10.55%0.0455%0.054CC..THydrogen-bonded Turncis-92.720.30.138-37.5000114.4I329 M332 R338I329-P425 HydrophobicContact CD1-CG 3.78Å; M332-P425 HydrophobicContact CE-CB 4.28Å; M332-P425 HydrophobicContact CG-CB 3.45Å; M332-P425 VanDerWaalsContact CG-CB 3.45Å; M332-P425 HydrophobicContact CG-CG 4.38Å; M332-P425 HydrophobicContact SD-CB 3.62Å; R338-P425 PolarHBondContact NH1-O 3.02Å; R338-P425 PolarHBondContact NH2-O 2.84Å
426M97.3Very high97.4Very high0 Ų05.3 Ų5.30%03%0.029CC..  trans-83.9144.8-174.2-162.7169.9-7000112A200 L365 V407 M408 Y422 S423 Q430 A431 I434A200-M426 PolarHBondContact N-O 3.3Å; L365-M426 HydrophobicContact CD1-CE 4.11Å; V407-M426 HydrophobicContact CG1-CB 4.24Å; V407-M426 HydrophobicContact CG1-CE 4.13Å; M408-M426 HydrophobicContact CB-CE 4.14Å; M408-M426 HydrophobicContact CB-SD 3.9Å; M408-M426 HydrophobicContact CG-SD 4.09Å; M408-M426 HydrophobicContact SD-CE 4.4Å; M408-M426 HydrophobicContact SD-SD 3.82Å; Y422-M426 HydrophobicContact CD2-CB 4.24Å; Y422-M426 VanDerWaalsContact CD2-O 3.32Å; Y422-M426 WeakPolarHBondContact CD2-O 3.32Å; Y422-M426 WeakPolarHBondContact CE2-O 3.39Å; S423-M426 WeakPolarHBondContact O-CB 3.15Å; S423-M426 PolarHBondContact O-N 3.36Å; M426-Q430 HydrophobicContact CG-CB 3.76Å; M426-A431 HydrophobicContact CG-CB 4.16Å; M426-A431 HydrophobicContact SD-CB 3.66Å; M426-I434 HydrophobicContact CE-CD1 3.54Å; M426-I434 HydrophobicContact SD-CD1 3.76Å
427C97.7Very high97.5Very high1 Ų13.4 Ų3.41%0.0072%0.019CC..BIsolated β-bridgetrans-106.2165.7169.167.20000112.4L197 R198 L429 Q430 A431L197-C427 WeakPolarHBondContact O-CB 3.41Å; L197-C427 PolarHBondContact O-SG 2.89Å; R198-C427 WeakPolarHBondContact O-CB 3.17Å; C427-L429 VanDerWaalsContact C-N 3.29Å; C427-L429 PolarHBondContact O-N 3.42Å; C427-Q430 PolarHBondContact O-N 3.47Å; C427-Q430 VanDerWaalsContact O-N 3.17Å; C427-Q430 VanDerWaalsContact SG-CG 3.59Å; C427-Q430 PolarHBondContact SG-OE1 3.24Å; C427-A431 PolarHBondContact O-N 2.94Å
428A97.9Very high97.3Very high0 Ų02.1 Ų2.10%01%0.012CC..Hα-helixtrans-57.9-40.2-177.200000112.7F195 A196 L227 L239 M240 Y422 A431 F432F195-A428 HydrophobicContact CE1-CB 4.36Å; A196-A428 PolarHBondContact O-N 2.86Å; L227-A428 HydrophobicContact CD2-CB 4.26Å; L239-A428 HydrophobicContact CD1-CB 4.39Å; M240-A428 HydrophobicContact CE-CB 3.74Å; Y422-A428 HydrophobicContact CE1-CB 4.18Å; Y422-A428 WeakPolarHBondContact OH-CB 3.49Å; A428-A431 PolarHBondContact O-N 3.34Å; A428-F432 VanDerWaalsContact O-CB 3.23Å; A428-F432 WeakPolarHBondContact O-CB 3.44Å; A428-F432 PolarHBondContact O-N 2.8Å
429L98.1Very high97Very high0 Ų02.9 Ų2.90%02%0.015CC..Hα-helixtrans-65.6-39.6179.4-179.957.8000112.3A196 L197 M240 I255 I270 L307 C427 A433A196-L429 VanDerWaalsContact O-CB 3.31Å; A196-L429 WeakPolarHBondContact O-CB 3.17Å; A196-L429 PolarHBondContact O-N 2.85Å; L197-L429 HydrophobicContact CD2-CD2 3.69Å; M240-L429 HydrophobicContact CE-CB 4.39Å; M240-L429 HydrophobicContact SD-CD1 4.24Å; I255-L429 HydrophobicContact CB-CD1 4.02Å; I255-L429 HydrophobicContact CD1-CD1 3.64Å; I255-L429 HydrophobicContact CG1-CD1 4.43Å; I255-L429 HydrophobicContact CG2-CD1 3.63Å; I270-L429 HydrophobicContact CD1-CD1 4.03Å; I270-L429 HydrophobicContact CD1-CD2 4.37Å; I270-L429 HydrophobicContact CG1-CD1 4.43Å; L307-L429 HydrophobicContact CD1-CD2 3.55Å; L307-L429 HydrophobicContact CD1-CG 4.18Å; C427-L429 VanDerWaalsContact C-N 3.29Å; C427-L429 PolarHBondContact O-N 3.42Å; L429-A433 WeakPolarHBondContact O-CB 3.39Å; L429-A433 PolarHBondContact O-N 2.96Å
430Q98.3Very high96.3Very high0 Ų03.5 Ų3.50%02%0.019CC..Hα-helixtrans-63.2-54.5173.1-74.8169.8-36.700110.6L307 A308 M426 C427 F432 A433 I434L307-Q430 HydrophobicContact CB-CG 4.28Å; L307-Q430 PolarHBondContact O-NE2 3.48Å; A308-Q430 HydrophobicContact CB-CG 4.34Å; M426-Q430 HydrophobicContact CG-CB 3.76Å; C427-Q430 PolarHBondContact O-N 3.47Å; C427-Q430 VanDerWaalsContact O-N 3.17Å; C427-Q430 VanDerWaalsContact SG-CG 3.59Å; C427-Q430 PolarHBondContact SG-OE1 3.24Å; Q430-F432 VanDerWaalsContact C-N 3.32Å; Q430-F432 PolarHBondContact O-N 2.89Å; Q430-A433 PolarHBondContact O-N 3.21Å; Q430-I434 WeakPolarHBondContact O-CB 3.44Å; Q430-I434 WeakPolarHBondContact O-CD1 3.08Å; Q430-I434 WeakPolarHBondContact O-CG1 3.42Å; Q430-I434 PolarHBondContact O-N 3.04Å
431A98.4Very high94.9Very high0 Ų06.1 Ų6.10%05%0.046CC..Hα-helixtrans-56.9-46-17800000111.5M408 M420 Y422 M426 C427 A428 I434 T435M408-A431 HydrophobicContact CE-CB 4.14Å; M408-A431 WeakPolarHBondContact CE-O 3.47Å; M408-A431 HydrophobicContact SD-CB 4.3Å; M420-A431 HydrophobicContact CE-CB 3.56Å; M420-A431 HydrophobicContact SD-CB 4.05Å; Y422-A431 HydrophobicContact CD1-CB 4.04Å; Y422-A431 HydrophobicContact CG-CB 3.95Å; M426-A431 HydrophobicContact CG-CB 4.16Å; M426-A431 HydrophobicContact SD-CB 3.66Å; C427-A431 PolarHBondContact O-N 2.94Å; A428-A431 PolarHBondContact O-N 3.34Å; A431-I434 PolarHBondContact O-N 2.91Å; A431-T435 PolarHBondContact O-N 3.38Å
432F98.4Very high93.4Very high0 Ų07.4 Ų7.40%05%0.051CC..Hα-helixtrans-65.3-42.4178.3-172.2-127.8000112.6V210 L227 M240 I255 M420 A428 Q430 I434 T435 L436V210-F432 HydrophobicContact CG1-CE2 4.25Å; V210-F432 HydrophobicContact CG2-CD2 4.11Å; V210-F432 HydrophobicContact CG2-CE2 4.16Å; L227-F432 HydrophobicContact CB-CD2 3.93Å; L227-F432 HydrophobicContact CB-CE2 3.96Å; L227-F432 HydrophobicContact CB-CG 4.34Å; L227-F432 HydrophobicContact CB-CZ 4.37Å; L227-F432 HydrophobicContact CD1-CD2 4.21Å; L227-F432 HydrophobicContact CD2-CB 4.14Å; L227-F432 HydrophobicContact CD2-CD2 4.47Å; L227-F432 HydrophobicContact CD2-CG 4.33Å; L227-F432 HydrophobicContact CG-CD2 4.43Å; M240-F432 HydrophobicContact CG-CD1 3.68Å; M240-F432 HydrophobicContact CG-CE1 3.92Å; M240-F432 HydrophobicContact CG-CG 4.25Å; M240-F432 HydrophobicContact SD-CB 3.88Å; M240-F432 HydrophobicContact SD-CD1 3.5Å; M240-F432 WeakPolarHBondContact SD-CD1 3.36Å; M240-F432 HydrophobicContact SD-CE1 4.3Å; M240-F432 HydrophobicContact SD-CG 3.97Å; I255-F432 HydrophobicContact CD1-CD1 4.29Å; I255-F432 HydrophobicContact CG1-CD1 4.48Å; I255-F432 HydrophobicContact CG2-CD1 3.89Å; I255-F432 HydrophobicContact CG2-CE1 4.02Å; M420-F432 HydrophobicContact SD-CB 4.41Å; A428-F432 VanDerWaalsContact O-CB 3.23Å; A428-F432 WeakPolarHBondContact O-CB 3.44Å; A428-F432 PolarHBondContact O-N 2.8Å; Q430-F432 VanDerWaalsContact C-N 3.32Å; Q430-F432 PolarHBondContact O-N 2.89Å; F432-I434 PolarHBondContact O-N 3.03Å; F432-T435 WeakPolarHBondContact O-CB 3.49Å; F432-T435 PolarHBondContact O-N 3.17Å; F432-L436 HydrophobicContact CD1-CD1 4.06Å; F432-L436 HydrophobicContact CE1-CD1 3.9Å; F432-L436 HydrophobicContact CE1-CG 4.48Å; F432-L436 HydrophobicContact CE2-CD2 4.48Å; F432-L436 HydrophobicContact CE2-CG 4.47Å; F432-L436 HydrophobicContact CZ-CD1 4.26Å; F432-L436 HydrophobicContact CZ-CD2 4.33Å; F432-L436 HydrophobicContact CZ-CG 4.41Å; F432-L436 WeakPolarHBondContact O-CG 3.46Å; F432-L436 PolarHBondContact O-N 3.42Å
433A98.3Very high91.2Very high0 Ų014.4 Ų14.40%09%0.088CC..Hα-helixtrans-65.8-36.8176.500000112.6I255 L273 V284 L429 Q430 L436 S437I255-A433 HydrophobicContact CD1-CB 3.92Å; L273-A433 HydrophobicContact CD1-CB 4.42Å; V284-A433 HydrophobicContact CB-CB 4.22Å; V284-A433 HydrophobicContact CG1-CB 3.56Å; V284-A433 HydrophobicContact CG2-CB 3.53Å; L429-A433 WeakPolarHBondContact O-CB 3.39Å; L429-A433 PolarHBondContact O-N 2.96Å; Q430-A433 PolarHBondContact O-N 3.21Å; A433-L436 PolarHBondContact O-N 3.27Å; A433-S437 PolarHBondContact O-N 2.7Å
434I97.7Very high88.6Confident0 Ų016 Ų160%010%0.101CC..Hα-helixtrans-61.4-48.5171.5-67.8158.9000109.8I310 M325 V327 F395 M408 M426 Q430 A431 F432 L436 S437 S438I310-I434 HydrophobicContact CD1-CG1 4.07Å; I310-I434 HydrophobicContact CG1-CG1 3.91Å; M325-I434 HydrophobicContact CE-CG2 3.35Å; V327-I434 HydrophobicContact CG1-CD1 3.67Å; V327-I434 HydrophobicContact CG1-CG1 4.18Å; V327-I434 HydrophobicContact CG2-CG2 4.39Å; F395-I434 HydrophobicContact CE2-CG2 4.32Å; F395-I434 HydrophobicContact CZ-CG2 4.21Å; M408-I434 HydrophobicContact CE-CB 4.28Å; M408-I434 HydrophobicContact CE-CG2 4.15Å; M408-I434 HydrophobicContact SD-CB 4.1Å; M408-I434 HydrophobicContact SD-CD1 4.27Å; M408-I434 HydrophobicContact SD-CG2 3.78Å; M426-I434 HydrophobicContact CE-CD1 3.54Å; M426-I434 HydrophobicContact SD-CD1 3.76Å; Q430-I434 WeakPolarHBondContact O-CB 3.44Å; Q430-I434 WeakPolarHBondContact O-CD1 3.08Å; Q430-I434 WeakPolarHBondContact O-CG1 3.42Å; Q430-I434 PolarHBondContact O-N 3.04Å; A431-I434 PolarHBondContact O-N 2.91Å; F432-I434 PolarHBondContact O-N 3.03Å; I434-L436 PolarHBondContact O-N 3.4Å; I434-S437 PolarHBondContact O-N 2.73Å; I434-S437 VanDerWaalsContact O-N 3.16Å; I434-S437 PolarHBondContact O-OG 2.9Å; I434-S438 PolarHBondContact O-N 3.24Å
435T96.6Very high86.2Confident0 Ų015.7 Ų15.70%010%0.1CC..Hα-helixtrans-57.4-43.8173.5-83.10000112.5V210 M408 F410 A431 F432 S437 S438 F439V210-T435 HydrophobicContact CG1-CG2 4.45Å; V210-T435 HydrophobicContact CG2-CG2 4.28Å; M408-T435 VanDerWaalsContact CE-OG1 3.23Å; M408-T435 WeakPolarHBondContact CE-OG1 3.31Å; F410-T435 HydrophobicContact CD2-CG2 3.87Å; F410-T435 WeakPolarHBondContact CD2-OG1 3.41Å; F410-T435 HydrophobicContact CE1-CG2 4.35Å; F410-T435 HydrophobicContact CE2-CG2 3.34Å; F410-T435 WeakPolarHBondContact CG-OG1 3.37Å; F410-T435 HydrophobicContact CZ-CG2 3.63Å; A431-T435 PolarHBondContact O-N 3.38Å; F432-T435 WeakPolarHBondContact O-CB 3.49Å; F432-T435 PolarHBondContact O-N 3.17Å; T435-S437 VanDerWaalsContact C-N 3.31Å; T435-S437 PolarHBondContact O-N 3.11Å; T435-S438 WeakPolarHBondContact O-CB 3.42Å; T435-S438 PolarHBondContact O-N 2.82Å; T435-S438 PolarHBondContact O-OG 2.93Å; T435-F439 HydrophobicContact CG2-CD2 4.19Å; T435-F439 HydrophobicContact CG2-CE2 3.68Å; T435-F439 VanDerWaalsContact O-CD2 3.28Å; T435-F439 WeakPolarHBondContact O-CD2 3.49Å; T435-F439 PolarHBondContact O-N 3Å
436L96Very high83.5Confident0 Ų023.9 Ų23.90%014%0.138CC..Hα-helixtrans-60.3-38.3176.2-71.7173.3000112.2Y225 Y253 I255 L273 F432 A433 I434 S438 F439Y225-L436 HydrophobicContact CD1-CD2 4.1Å; Y225-L436 HydrophobicContact CD2-CD2 3.58Å; Y225-L436 HydrophobicContact CE2-CD2 4.2Å; Y225-L436 HydrophobicContact CG-CD2 3.55Å; Y253-L436 HydrophobicContact CD1-CB 4.3Å; Y253-L436 HydrophobicContact CD1-CD1 4.17Å; Y253-L436 HydrophobicContact CD1-CD2 3.94Å; Y253-L436 HydrophobicContact CD1-CG 4.37Å; Y253-L436 HydrophobicContact CE1-CB 4.4Å; Y253-L436 HydrophobicContact CE1-CD2 4.01Å; I255-L436 HydrophobicContact CD1-CD1 3.93Å; I255-L436 HydrophobicContact CG1-CD1 3.98Å; L273-L436 HydrophobicContact CD2-CB 3.8Å; F432-L436 HydrophobicContact CD1-CD1 4.06Å; F432-L436 HydrophobicContact CE1-CD1 3.9Å; F432-L436 HydrophobicContact CE1-CG 4.48Å; F432-L436 HydrophobicContact CE2-CD2 4.48Å; F432-L436 HydrophobicContact CE2-CG 4.47Å; F432-L436 HydrophobicContact CZ-CD1 4.26Å; F432-L436 HydrophobicContact CZ-CD2 4.33Å; F432-L436 HydrophobicContact CZ-CG 4.41Å; F432-L436 WeakPolarHBondContact O-CG 3.46Å; F432-L436 PolarHBondContact O-N 3.42Å; A433-L436 PolarHBondContact O-N 3.27Å; I434-L436 PolarHBondContact O-N 3.4Å; L436-S438 PolarHBondContact O-N 3.07Å; L436-F439 PolarHBondContact O-N 3.25Å; L436-F439 VanDerWaalsContact O-N 3.14Å
437S95.1Very high82.8Confident0 Ų025.1 Ų25.10%015%0.145CC..Hα-helixtrans-68-18175.178.50000114.1Y312 A433 I434 T435 K442Y312-S437 PolarHBondContact OH-OG 3.05Å; Y312-S437 VanDerWaalsContact OH-OG 3.1Å; A433-S437 PolarHBondContact O-N 2.7Å; I434-S437 PolarHBondContact O-N 2.73Å; I434-S437 VanDerWaalsContact O-N 3.16Å; I434-S437 PolarHBondContact O-OG 2.9Å; T435-S437 VanDerWaalsContact C-N 3.31Å; T435-S437 PolarHBondContact O-N 3.11Å; S437-K442 WeakPolarHBondContact O-CE 3.32Å; S437-K442 PolarHBondContact O-NZ 3.15Å
438S91.6Very high82Confident11 Ų1126.4 Ų26.48%0.07715%0.153CC..Hα-helixtrans-78.9-22.6172.285.40000113.6K393 F410 I434 T435 L436K393-S438 VanDerWaalsContact CE-O 3.27Å; K393-S438 WeakPolarHBondContact CE-O 3.24Å; F410-S438 WeakPolarHBondContact CE1-OG 3.31Å; I434-S438 PolarHBondContact O-N 3.24Å; T435-S438 WeakPolarHBondContact O-CB 3.42Å; T435-S438 PolarHBondContact O-N 2.82Å; T435-S438 PolarHBondContact O-OG 2.93Å; L436-S438 PolarHBondContact O-N 3.07Å
439F89.3Confident81.2Confident21 Ų2127.8 Ų27.89%0.09216%0.161CC..Hα-helixtrans-82.7-22.4178.2-76.9-70.3000113.9Y225 K393 F410 F418 T435 L436Y225-F439 AromaticContact CD1-CD2 3.9Å; Y225-F439 HydrophobicContact CD1-CD2 3.9Å; Y225-F439 AromaticContact CD1-CE2 3.76Å; Y225-F439 HydrophobicContact CD1-CE2 3.76Å; Y225-F439 HydrophobicContact CD1-CG 4.46Å; Y225-F439 HydrophobicContact CD1-CZ 4.23Å; Y225-F439 HydrophobicContact CE1-CB 4.16Å; Y225-F439 AromaticContact CE1-CD1 3.74Å; Y225-F439 HydrophobicContact CE1-CD1 3.74Å; Y225-F439 AromaticContact CE1-CD2 3.32Å; Y225-F439 HydrophobicContact CE1-CD2 3.32Å; Y225-F439 AromaticContact CE1-CE1 3.88Å; Y225-F439 HydrophobicContact CE1-CE1 3.88Å; Y225-F439 AromaticContact CE1-CE2 3.45Å; Y225-F439 HydrophobicContact CE1-CE2 3.45Å; Y225-F439 VanDerWaalsContact CE1-CE2 3.45Å; Y225-F439 AromaticContact CE1-CG 3.46Å; Y225-F439 HydrophobicContact CE1-CG 3.46Å; Y225-F439 VanDerWaalsContact CE1-CG 3.46Å; Y225-F439 AromaticContact CE1-CZ 3.74Å; Y225-F439 HydrophobicContact CE1-CZ 3.74Å; Y225-F439 AromaticContact CZ-CD2 3.99Å; Y225-F439 AromaticContact CZ-CG 3.79Å; Y225-F439 WeakPolarHBondContact OH-CB 3.47Å; K393-F439 HydrophobicContact CD-CD1 4.04Å; K393-F439 HydrophobicContact CD-CE1 4.12Å; F410-F439 HydrophobicContact CE2-CE2 4.48Å; F410-F439 AromaticContact CZ-CE2 3.74Å; F410-F439 HydrophobicContact CZ-CE2 3.74Å; F410-F439 AromaticContact CZ-CZ 3.71Å; F410-F439 HydrophobicContact CZ-CZ 3.71Å; F418-F439 HydrophobicContact CD1-CE1 4.44Å; F418-F439 HydrophobicContact CD1-CZ 4.07Å; F418-F439 HydrophobicContact CD2-CE1 4.29Å; F418-F439 AromaticContact CD2-CZ 3.66Å; F418-F439 HydrophobicContact CD2-CZ 3.66Å; F418-F439 AromaticContact CE1-CE1 3.9Å; F418-F439 HydrophobicContact CE1-CE1 3.9Å; F418-F439 AromaticContact CE1-CZ 3.98Å; F418-F439 HydrophobicContact CE1-CZ 3.98Å; F418-F439 AromaticContact CE2-CE1 3.73Å; F418-F439 HydrophobicContact CE2-CE1 3.73Å; F418-F439 AromaticContact CE2-CZ 3.56Å; F418-F439 HydrophobicContact CE2-CZ 3.56Å; F418-F439 AromaticContact CG-CZ 3.95Å; F418-F439 HydrophobicContact CG-CZ 3.95Å; F418-F439 AromaticContact CZ-CE1 3.53Å; F418-F439 HydrophobicContact CZ-CE1 3.53Å; F418-F439 AromaticContact CZ-CZ 3.75Å; F418-F439 HydrophobicContact CZ-CZ 3.75Å; T435-F439 HydrophobicContact CG2-CD2 4.19Å; T435-F439 HydrophobicContact CG2-CE2 3.68Å; T435-F439 VanDerWaalsContact O-CD2 3.28Å; T435-F439 WeakPolarHBondContact O-CD2 3.49Å; T435-F439 PolarHBondContact O-N 3Å; L436-F439 PolarHBondContact O-N 3.25Å; L436-F439 VanDerWaalsContact O-N 3.14Å
440D83.6Confident80.2Confident14 Ų1429.5 Ų29.58%0.07517%0.17CC..SBendtrans-74.4150.7-174-16135.1000113.3K244 S251 F282 K442K244-D440 IonicContact NZ-OD1 3.58Å; K244-D440 PolarHBondContact NZ-OD1 3.1Å; S251-D440 WeakPolarHBondContact CB-OD2 3.33Å; S251-D440 PolarHBondContact OG-OD1 3Å; S251-D440 PolarHBondContact OG-OD2 3.02Å; F282-D440 HydrophobicContact CE1-CB 4.16Å; F282-D440 HydrophobicContact CZ-CB 4.05Å; D440-K442 PolarHBondContact O-N 3.35Å
441G69.4Low79Confident55 Ų5531.3 Ų31.357%0.56718%0.181SC*.  trans-77.9117.7-178.700000111.9
442K66Low77.7Confident29 Ų2933.4 Ų33.413%0.12619%0.193CC..  trans-103.896.3-173.8-53.6-175.7-174.2165.60110.4G279 Y312 S437 D440 A444 C445G279-K442 WeakPolarHBondContact O-CG 3.15Å; Y312-K442 VanDerWaalsContact CD1-NZ 3.35Å; Y312-K442 HydrophobicContact CD2-CD 4Å; Y312-K442 VanDerWaalsContact CD2-NZ 3.32Å; Y312-K442 HydrophobicContact CE2-CD 4.43Å; Y312-K442 HydrophobicContact CG-CD 4.08Å; Y312-K442 PolarHBondContact OH-NZ 2.79Å; S437-K442 WeakPolarHBondContact O-CE 3.32Å; S437-K442 PolarHBondContact O-NZ 3.15Å; D440-K442 PolarHBondContact O-N 3.35Å; K442-A444 PolarHBondContact O-N 3.17Å; K442-C445 HydrophobicContact CB-CB 3.82Å; K442-C445 HydrophobicContact CD-CB 4.49Å; K442-C445 PolarHBondContact O-N 3.46Å
443L50.8Low76.3Confident148 Ų14835.8 Ų35.878%0.77521%0.207SC*.THydrogen-bonded Turntrans-58.6-22.6-172.3-62.5173.3000114
444A44.3Very low74.6Confident36 Ų3638.5 Ų38.530%0.29822%0.223SC..THydrogen-bonded Turntrans-113.917.4-176.900000114.6T280 T314 K442T280-A444 HydrophobicContact CG2-CB 3.98Å; T314-A444 HydrophobicContact CG2-CB 3.81Å; K442-A444 PolarHBondContact O-N 3.17Å
445C47.2Very low72.6Confident7 Ų741.8 Ų41.85%0.04724%0.241CC..  trans-129.25.7-177.6-58.20000114.7R323 K442R323-C445 PolarHBondContact NE-O 3.22Å; R323-C445 PolarHBondContact NH2-O 2.85Å; K442-C445 HydrophobicContact CB-CB 3.82Å; K442-C445 HydrophobicContact CD-CB 4.49Å; K442-C445 PolarHBondContact O-N 3.46Å
446E41.7Very low70.5Confident180 Ų18045.5 Ų45.584%0.84126%0.263SS*.  trans-59.20-167.6-77.6-142.9155.700116.6K25 R323K25-E446 VanDerWaalsContact CE-O 3.28Å; K25-E446 WeakPolarHBondContact CE-O 3.19Å; K25-E446 PolarHBondContact NZ-O 3.42Å; K25-E446 IonicContact NZ-OE2 3.84Å; R323-E446 PolarHBondContact NH2-OXT 2.88Å

Retrieved 446 of 446 residues in 366.2 ms (Link to these results)

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