A0A087XNY6_POEFO Loading...

Olfactomedin-like 3a

AlphaFold DB , UniProt , Accession A0A087XNY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 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
1M56.9Low66.3Low200 Ų200136.5 Ų136.599%0.98564%0.638SS**  0-40.40-98.3-176.5-94.500113.1H5M1-H5 PolarHBondContact O-CD2 3.11Å
2Q60.1Low67.1Low170 Ų170139.9 Ų139.979%0.79464%0.641SS**Hα-helixtrans-66-41.2179.1-81.8159-37.200114.7W4 H5 E6Q2-W4 VanDerWaalsContact C-N 3.3Å; Q2-W4 PolarHBondContact O-N 2.98Å; Q2-H5 PolarHBondContact O-N 3.08Å; Q2-H5 VanDerWaalsContact O-N 3.12Å; Q2-E6 PolarHBondContact O-N 3.48Å
3L58.6Low68.3Low117 Ų117133.5 Ų133.561%0.61362%0.619SS**Hα-helixtrans-60.3-36.2-179.3-142.993.2000113.8Q7L3-Q7 WeakPolarHBondContact O-CG 3.46Å; L3-Q7 PolarHBondContact O-N 3.42Å; L3-Q7 VanDerWaalsContact O-N 3.12Å
4W56.5Low69.7Low193 Ų193131.2 Ų131.273%0.73161%0.608SS**Hα-helixtrans-71.9-31.6178.3-8295.6000112.6Q2 A8Q2-W4 VanDerWaalsContact C-N 3.3Å; Q2-W4 PolarHBondContact O-N 2.98Å; W4-A8 VanDerWaalsContact O-CB 3.23Å; W4-A8 WeakPolarHBondContact O-CB 3.46Å; W4-A8 PolarHBondContact O-N 3.49Å
5H63.7Low70.2Confident140 Ų140132.3 Ų132.365%0.64862%0.616SS**Hα-helixtrans-73.6-37.5176.3-80.1-48.2000112.2M1 Q2 H9M1-H5 PolarHBondContact O-CD2 3.11Å; Q2-H5 PolarHBondContact O-N 3.08Å; Q2-H5 VanDerWaalsContact O-N 3.12Å; H5-H9 VanDerWaalsContact O-CB 3.31Å; H5-H9 WeakPolarHBondContact O-CB 3.43Å; H5-H9 PolarHBondContact O-N 3.13Å
6E68.9Low70.9Confident138 Ų138130.6 Ų130.665%0.64561%0.612SS**Hα-helixtrans-65.4-46.5173.2-85.5177149.600111.8Q2 A8 H9 Q10Q2-E6 PolarHBondContact O-N 3.48Å; E6-A8 PolarHBondContact O-N 3.42Å; E6-H9 PolarHBondContact O-N 3.08Å; E6-Q10 WeakPolarHBondContact O-CB 3.39Å; E6-Q10 PolarHBondContact O-N 3.12Å
7Q70.1Confident71.9Confident86 Ų86128.6 Ų128.640%0.40261%0.607SS.*Hα-helixtrans-60.7-46.1176.2-75.8178.2-23.600111.7L3 H9 Q10 Y11L3-Q7 WeakPolarHBondContact O-CG 3.46Å; L3-Q7 PolarHBondContact O-N 3.42Å; L3-Q7 VanDerWaalsContact O-N 3.12Å; Q7-H9 VanDerWaalsContact C-N 3.3Å; Q7-H9 PolarHBondContact O-N 3.47Å; Q7-Q10 PolarHBondContact O-N 3.28Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.35Å; Q7-Y11 PolarHBondContact O-N 2.78Å
8A70Confident72.8Confident55 Ų55129.3 Ų129.346%0.45561%0.607SS.*Hα-helixtrans-63.9-34.317800000112.9W4 E6 R12W4-A8 VanDerWaalsContact O-CB 3.23Å; W4-A8 WeakPolarHBondContact O-CB 3.46Å; W4-A8 PolarHBondContact O-N 3.49Å; E6-A8 PolarHBondContact O-N 3.42Å; A8-R12 WeakPolarHBondContact O-CB 3.23Å; A8-R12 PolarHBondContact O-N 3.37Å; A8-R12 VanDerWaalsContact O-N 3.11Å
9H72.4Confident73.1Confident125 Ų125130.2 Ų130.258%0.57961%0.609SS**Hα-helixtrans-69.2-42.5174.9-167.2-68000111.2H5 E6 Q7 R12 T13H5-H9 VanDerWaalsContact O-CB 3.31Å; H5-H9 WeakPolarHBondContact O-CB 3.43Å; H5-H9 PolarHBondContact O-N 3.13Å; E6-H9 PolarHBondContact O-N 3.08Å; Q7-H9 VanDerWaalsContact C-N 3.3Å; Q7-H9 PolarHBondContact O-N 3.47Å; H9-R12 PolarHBondContact O-N 3.23Å; H9-T13 PolarHBondContact O-N 3Å; H9-T13 PolarHBondContact O-OG1 3.17Å; H9-T13 VanDerWaalsContact O-OG1 3.05Å
10Q76.4Confident73.8Confident114 Ų114130.1 Ų130.153%0.53361%0.606SS.*Hα-helixtrans-64.8-45.7179.4-165172.1-400111.8E6 Q7 R12 T13 E14E6-Q10 WeakPolarHBondContact O-CB 3.39Å; E6-Q10 PolarHBondContact O-N 3.12Å; Q7-Q10 PolarHBondContact O-N 3.28Å; Q10-R12 VanDerWaalsContact C-N 3.29Å; Q10-R12 PolarHBondContact O-N 2.96Å; Q10-T13 WeakPolarHBondContact CA-OG1 3.12Å; Q10-T13 PolarHBondContact O-N 3.23Å; Q10-T13 PolarHBondContact O-OG1 3.12Å; Q10-E14 WeakPolarHBondContact O-CG 3.29Å; Q10-E14 PolarHBondContact O-N 3.26Å
11Y75.7Confident74.6Confident163 Ų163129.2 Ų129.264%0.63961%0.605SS**Hα-helixtrans-60.3-38.4172.7-81.9-65.2000112.4Q7 E14 M15Q7-Y11 WeakPolarHBondContact O-CD2 3.35Å; Q7-Y11 PolarHBondContact O-N 2.78Å; Y11-E14 PolarHBondContact O-N 2.92Å; Y11-M15 VanDerWaalsContact O-CB 3.22Å; Y11-M15 WeakPolarHBondContact O-CB 3.38Å; Y11-M15 PolarHBondContact O-N 3.38Å
12R75.3Confident75.5Confident178 Ų178122.5 Ų122.567%0.67258%0.576SS**Hα-helixtrans-66-41.4177.6-173.4-177.8-70.4-175.2-3111.6A8 H9 Q10 L16A8-R12 WeakPolarHBondContact O-CB 3.23Å; A8-R12 PolarHBondContact O-N 3.37Å; A8-R12 VanDerWaalsContact O-N 3.11Å; H9-R12 PolarHBondContact O-N 3.23Å; Q10-R12 VanDerWaalsContact C-N 3.29Å; Q10-R12 PolarHBondContact O-N 2.96Å; R12-L16 HydrophobicContact CG-CD1 4.38Å; R12-L16 VanDerWaalsContact O-CG 3.29Å; R12-L16 WeakPolarHBondContact O-CG 3.31Å; R12-L16 PolarHBondContact O-N 3.46Å; R12-L16 VanDerWaalsContact O-N 3.09Å
13T83.8Confident76.3Confident57 Ų57117.8 Ų117.835%0.3556%0.561SS.*Hα-helixtrans-66-45175.639.10000111.7H9 Q10 M15 L16 D17H9-T13 PolarHBondContact O-N 3Å; H9-T13 PolarHBondContact O-OG1 3.17Å; H9-T13 VanDerWaalsContact O-OG1 3.05Å; Q10-T13 WeakPolarHBondContact CA-OG1 3.12Å; Q10-T13 PolarHBondContact O-N 3.23Å; Q10-T13 PolarHBondContact O-OG1 3.12Å; T13-M15 VanDerWaalsContact C-N 3.3Å; T13-M15 PolarHBondContact O-N 3.48Å; T13-L16 PolarHBondContact O-N 2.89Å; T13-D17 PolarHBondContact O-N 3.22Å
14E87.3Confident77.8Confident101 Ų101116.9 Ų116.947%0.47255%0.554SS.*Hα-helixtrans-61.4-38.4176.8-73.1175.2-174.300112.2Q10 Y11 D17 F18Q10-E14 WeakPolarHBondContact O-CG 3.29Å; Q10-E14 PolarHBondContact O-N 3.26Å; Y11-E14 PolarHBondContact O-N 2.92Å; E14-D17 PolarHBondContact O-N 3.45Å; E14-F18 WeakPolarHBondContact O-CB 3.46Å; E14-F18 PolarHBondContact O-N 2.73Å
15M78Confident79.2Confident147 Ų147110.3 Ų110.372%0.72454%0.541SS*.Hα-helixtrans-71.3-32.5178.6-160.8170.5-17700112.5Y11 T13 K19Y11-M15 VanDerWaalsContact O-CB 3.22Å; Y11-M15 WeakPolarHBondContact O-CB 3.38Å; Y11-M15 PolarHBondContact O-N 3.38Å; T13-M15 VanDerWaalsContact C-N 3.3Å; T13-M15 PolarHBondContact O-N 3.48Å; M15-K19 VanDerWaalsContact O-CB 3.31Å; M15-K19 WeakPolarHBondContact O-CB 3.5Å; M15-K19 PolarHBondContact O-N 3.45Å
16L80.2Confident79.7Confident105 Ų105110.2 Ų110.255%0.5554%0.542SS..Hα-helixtrans-70.3-41.2172.7-74169.5000111.6R12 T13 K19 K20R12-L16 HydrophobicContact CG-CD1 4.38Å; R12-L16 VanDerWaalsContact O-CG 3.29Å; R12-L16 WeakPolarHBondContact O-CG 3.31Å; R12-L16 PolarHBondContact O-N 3.46Å; R12-L16 VanDerWaalsContact O-N 3.09Å; T13-L16 PolarHBondContact O-N 2.89Å; L16-K19 PolarHBondContact O-N 3.24Å; L16-K20 PolarHBondContact O-N 3.33Å
17D89.2Confident80.4Confident98 Ų98107.1 Ų107.152%0.52453%0.533SS..Hα-helixtrans-66-43175.9-72.8-22.4000111.2T13 E14 K19 K20 L21T13-D17 PolarHBondContact O-N 3.22Å; E14-D17 PolarHBondContact O-N 3.45Å; D17-K19 PolarHBondContact O-N 3.29Å; D17-K20 PolarHBondContact O-N 3.02Å; D17-L21 WeakPolarHBondContact O-CG 2.88Å; D17-L21 PolarHBondContact O-N 2.87Å
18F86.6Confident81.2Confident140 Ų140104.3 Ų104.361%0.61453%0.527SS*.Hα-helixtrans-60.5-43.8173.5-179.8-100.6000112E14 K20 L21 T22E14-F18 WeakPolarHBondContact O-CB 3.46Å; E14-F18 PolarHBondContact O-N 2.73Å; F18-K20 VanDerWaalsContact C-N 3.29Å; F18-K20 PolarHBondContact O-N 3.13Å; F18-L21 PolarHBondContact O-N 3.16Å; F18-T22 HydrophobicContact CD1-CG2 4.13Å; F18-T22 HydrophobicContact CD2-CG2 4.26Å; F18-T22 HydrophobicContact CE1-CG2 3.68Å; F18-T22 HydrophobicContact CE2-CG2 3.82Å; F18-T22 HydrophobicContact CG-CG2 4.41Å; F18-T22 HydrophobicContact CZ-CG2 3.51Å; F18-T22 WeakPolarHBondContact O-CB 3.33Å; F18-T22 WeakPolarHBondContact O-CG2 3.39Å; F18-T22 PolarHBondContact O-N 2.94Å; F18-T22 PolarHBondContact O-OG1 3.07Å
19K79.1Confident81.9Confident146 Ų146107 Ų10764%0.63553%0.532SS*.Hα-helixtrans-61-39.1175.8-178.2-179.7177.3-178.90112M15 L16 D17 T22 S23M15-K19 VanDerWaalsContact O-CB 3.31Å; M15-K19 WeakPolarHBondContact O-CB 3.5Å; M15-K19 PolarHBondContact O-N 3.45Å; L16-K19 PolarHBondContact O-N 3.24Å; D17-K19 PolarHBondContact O-N 3.29Å; K19-T22 WeakPolarHBondContact CA-OG1 3.22Å; K19-T22 PolarHBondContact O-OG1 2.93Å; K19-S23 WeakPolarHBondContact O-CB 3.29Å; K19-S23 PolarHBondContact O-N 3.35Å
20K87.1Confident82.3Confident129 Ų129108.3 Ų108.356%0.56154%0.537SS*.Hα-helixtrans-66.7-49.6177.4-175.5-179172.6-172.40111L16 D17 F18 T22 S23 E24L16-K20 PolarHBondContact O-N 3.33Å; D17-K20 PolarHBondContact O-N 3.02Å; F18-K20 VanDerWaalsContact C-N 3.29Å; F18-K20 PolarHBondContact O-N 3.13Å; K20-T22 VanDerWaalsContact C-N 3.34Å; K20-T22 PolarHBondContact O-N 3.16Å; K20-S23 PolarHBondContact O-N 2.86Å; K20-E24 WeakPolarHBondContact CE-OE1 3.46Å; K20-E24 WeakPolarHBondContact O-CG 3.34Å; K20-E24 PolarHBondContact O-N 3.41Å
21L90.8Very high82.8Confident111 Ų111107.9 Ų107.958%0.58154%0.538SS*.Hα-helixtrans-60.9-42.4179-72.2169.2000112.1D17 F18 E24 A25D17-L21 WeakPolarHBondContact O-CG 2.88Å; D17-L21 PolarHBondContact O-N 2.87Å; F18-L21 PolarHBondContact O-N 3.16Å; L21-E24 PolarHBondContact O-N 3.05Å; L21-A25 WeakPolarHBondContact O-CB 3.13Å; L21-A25 PolarHBondContact O-N 3.38Å
22T76.6Confident83.3Confident60 Ų60104.8 Ų104.837%0.36853%0.532SS..Hα-helixtrans-67.3-38.8176.848.10000112.2F18 K19 K20 A25 M26F18-T22 HydrophobicContact CD1-CG2 4.13Å; F18-T22 HydrophobicContact CD2-CG2 4.26Å; F18-T22 HydrophobicContact CE1-CG2 3.68Å; F18-T22 HydrophobicContact CE2-CG2 3.82Å; F18-T22 HydrophobicContact CG-CG2 4.41Å; F18-T22 HydrophobicContact CZ-CG2 3.51Å; F18-T22 WeakPolarHBondContact O-CB 3.33Å; F18-T22 WeakPolarHBondContact O-CG2 3.39Å; F18-T22 PolarHBondContact O-N 2.94Å; F18-T22 PolarHBondContact O-OG1 3.07Å; K19-T22 WeakPolarHBondContact CA-OG1 3.22Å; K19-T22 PolarHBondContact O-OG1 2.93Å; K20-T22 VanDerWaalsContact C-N 3.34Å; K20-T22 PolarHBondContact O-N 3.16Å; T22-A25 PolarHBondContact O-N 3.24Å; T22-M26 VanDerWaalsContact O-CB 3.29Å; T22-M26 WeakPolarHBondContact O-CB 3.45Å; T22-M26 PolarHBondContact O-N 3.49Å
23S76.9Confident83.8Confident71 Ų71101.9 Ų101.950%0.49753%0.526SS..Hα-helixtrans-63.2-44.1174-175.20000111.8K19 K20 M26 T27K19-S23 WeakPolarHBondContact O-CB 3.29Å; K19-S23 PolarHBondContact O-N 3.35Å; K20-S23 PolarHBondContact O-N 2.86Å; S23-M26 PolarHBondContact O-N 2.93Å; S23-T27 WeakPolarHBondContact O-CG2 3.34Å; S23-T27 PolarHBondContact O-N 3.05Å; S23-T27 PolarHBondContact O-OG1 2.84Å
24E89.1Confident83.6Confident98 Ų98101.9 Ų101.946%0.45853%0.529SS..Hα-helixtrans-63.1-46.2177.1-72.9171.6-176.900110.8K20 L21 M26 T27 G28K20-E24 WeakPolarHBondContact CE-OE1 3.46Å; K20-E24 WeakPolarHBondContact O-CG 3.34Å; K20-E24 PolarHBondContact O-N 3.41Å; L21-E24 PolarHBondContact O-N 3.05Å; E24-M26 PolarHBondContact O-N 2.77Å; E24-T27 WeakPolarHBondContact CA-OG1 3.33Å; E24-T27 PolarHBondContact O-N 3.24Å; E24-T27 PolarHBondContact O-OG1 3.09Å; E24-G28 PolarHBondContact O-N 3.11Å
25A86.4Confident83.7Confident55 Ų55102.7 Ų102.746%0.45553%0.534SS..Hα-helixtrans-60.3-43.117500000112.5L21 T22 T27 G28 I29L21-A25 WeakPolarHBondContact O-CB 3.13Å; L21-A25 PolarHBondContact O-N 3.38Å; T22-A25 PolarHBondContact O-N 3.24Å; A25-T27 VanDerWaalsContact C-N 3.33Å; A25-T27 PolarHBondContact O-N 2.97Å; A25-G28 PolarHBondContact O-N 3.37Å; A25-I29 WeakPolarHBondContact O-CG1 3.16Å; A25-I29 PolarHBondContact O-N 2.83Å
26M74.4Confident83.9Confident137 Ų137101.5 Ų101.568%0.67553%0.528SS*.Hα-helixtrans-63.7-39.3177.7-161.376.8179.600111.6T22 S23 E24 K30T22-M26 VanDerWaalsContact O-CB 3.29Å; T22-M26 WeakPolarHBondContact O-CB 3.45Å; T22-M26 PolarHBondContact O-N 3.49Å; S23-M26 PolarHBondContact O-N 2.93Å; E24-M26 PolarHBondContact O-N 2.77Å; M26-K30 WeakPolarHBondContact O-CB 3.21Å; M26-K30 PolarHBondContact O-N 3.1Å
27T82.4Confident84Confident74 Ų74101.5 Ų101.545%0.45452%0.524SS..Hα-helixtrans-68.2-36.4174.255.90000112.4S23 E24 A25 K30 N31S23-T27 WeakPolarHBondContact O-CG2 3.34Å; S23-T27 PolarHBondContact O-N 3.05Å; S23-T27 PolarHBondContact O-OG1 2.84Å; E24-T27 WeakPolarHBondContact CA-OG1 3.33Å; E24-T27 PolarHBondContact O-N 3.24Å; E24-T27 PolarHBondContact O-OG1 3.09Å; A25-T27 VanDerWaalsContact C-N 3.33Å; A25-T27 PolarHBondContact O-N 2.97Å; T27-K30 PolarHBondContact O-N 2.01Å; T27-N31 VanDerWaalsContact O-CG 3.22Å; T27-N31 PolarHBondContact O-N 3.1Å; T27-N31 PolarHBondContact O-ND2 2.84Å
28G88.3Confident83.9Confident27 Ų27103.7 Ų103.728%0.27853%0.529SS..Hα-helixtrans-59.1-55.4172.100000111.5E24 A25 K30 N31 D32E24-G28 PolarHBondContact O-N 3.11Å; A25-G28 PolarHBondContact O-N 3.37Å; G28-K30 VanDerWaalsContact C-N 3.27Å; G28-K30 PolarHBondContact O-N 2.6Å; G28-N31 WeakPolarHBondContact O-CB 2.87Å; G28-N31 PolarHBondContact O-N 2.88Å; G28-D32 VanDerWaalsContact O-CG 3.32Å; G28-D32 PolarHBondContact O-N 3.12Å
29I84.1Confident84Confident110 Ų110101.6 Ų101.656%0.56452%0.524SS*.Hα-helixtrans-56.7-41.1177.6-68167.1000111.5A25 N31 D32 H33A25-I29 WeakPolarHBondContact O-CG1 3.16Å; A25-I29 PolarHBondContact O-N 2.83Å; I29-N31 VanDerWaalsContact C-N 3.34Å; I29-N31 PolarHBondContact O-N 2.8Å; I29-D32 PolarHBondContact O-N 3.48Å; I29-H33 VanDerWaalsContact O-CB 3.27Å; I29-H33 WeakPolarHBondContact O-CB 2.96Å; I29-H33 PolarHBondContact O-N 2.84Å
30K80.6Confident84.2Confident153 Ų153100.2 Ų100.267%0.66552%0.523SS*.Hα-helixtrans-62.7-41.3177.1-177179.2178.5179.20112.1M26 T27 G28 S34M26-K30 WeakPolarHBondContact O-CB 3.21Å; M26-K30 PolarHBondContact O-N 3.1Å; T27-K30 PolarHBondContact O-N 2.01Å; G28-K30 VanDerWaalsContact C-N 3.27Å; G28-K30 PolarHBondContact O-N 2.6Å; K30-S34 WeakPolarHBondContact O-CB 3.47Å; K30-S34 PolarHBondContact O-N 2.84Å
31N87.4Confident83.7Confident105 Ų105100.5 Ų100.556%0.56152%0.524SS*.Hα-helixtrans-69.4-42.7177.8-69.7-21.2000111.1T27 G28 I29 S34 M35T27-N31 VanDerWaalsContact O-CG 3.22Å; T27-N31 PolarHBondContact O-N 3.1Å; T27-N31 PolarHBondContact O-ND2 2.84Å; G28-N31 WeakPolarHBondContact O-CB 2.87Å; G28-N31 PolarHBondContact O-N 2.88Å; I29-N31 VanDerWaalsContact C-N 3.34Å; I29-N31 PolarHBondContact O-N 2.8Å; N31-S34 WeakPolarHBondContact O-CB 3.38Å; N31-S34 PolarHBondContact O-N 3.1Å; N31-M35 WeakPolarHBondContact O-CB 3.37Å; N31-M35 PolarHBondContact O-N 2.88Å
32D86.3Confident83.5Confident98 Ų9896.8 Ų96.852%0.52451%0.513SS..Hα-helixtrans-63.6-42.9177.4-66.1-15.1000111.4G28 I29 S34 M35 M36G28-D32 VanDerWaalsContact O-CG 3.32Å; G28-D32 PolarHBondContact O-N 3.12Å; I29-D32 PolarHBondContact O-N 3.48Å; D32-S34 PolarHBondContact O-N 3.39Å; D32-M35 PolarHBondContact O-N 3.39Å; D32-M36 WeakPolarHBondContact O-CB 3.37Å; D32-M36 PolarHBondContact O-N 3.23Å
33H84.7Confident83.9Confident118 Ų11896.1 Ų96.155%0.54651%0.514SS..Hα-helixtrans-62.3-41.8174.1-175.8-84.5000111.8I29 M35 F37I29-H33 VanDerWaalsContact O-CB 3.27Å; I29-H33 WeakPolarHBondContact O-CB 2.96Å; I29-H33 PolarHBondContact O-N 2.84Å; H33-M35 VanDerWaalsContact C-N 3.32Å; H33-M35 PolarHBondContact O-N 3.43Å; H33-F37 VanDerWaalsContact O-CB 3.26Å; H33-F37 WeakPolarHBondContact O-CB 3.44Å; H33-F37 PolarHBondContact O-N 3.41Å
34S80.6Confident83.9Confident57 Ų5795.8 Ų95.840%0.39951%0.511SS..Hα-helixtrans-63.1-38.8175.2-176.40000112K30 N31 D32 K38K30-S34 WeakPolarHBondContact O-CB 3.47Å; K30-S34 PolarHBondContact O-N 2.84Å; N31-S34 WeakPolarHBondContact O-CB 3.38Å; N31-S34 PolarHBondContact O-N 3.1Å; D32-S34 PolarHBondContact O-N 3.39Å; S34-K38 WeakPolarHBondContact O-CG 3.37Å; S34-K38 PolarHBondContact O-N 2.76Å; S34-K38 VanDerWaalsContact O-N 3.12Å
35M88.5Confident83.6Confident117 Ų11793.9 Ų93.958%0.57651%0.512SS*.Hα-helixtrans-68.8-49.8176.3-174168.1158.500111.4N31 D32 H33 F37 K38 D39N31-M35 WeakPolarHBondContact O-CB 3.37Å; N31-M35 PolarHBondContact O-N 2.88Å; D32-M35 PolarHBondContact O-N 3.39Å; H33-M35 VanDerWaalsContact C-N 3.32Å; H33-M35 PolarHBondContact O-N 3.43Å; M35-F37 PolarHBondContact O-N 2.92Å; M35-K38 WeakPolarHBondContact O-CB 3.19Å; M35-K38 PolarHBondContact O-N 2.81Å; M35-D39 PolarHBondContact O-N 3.02Å
36M83.1Confident83.5Confident122 Ų122100.3 Ų100.360%0.60152%0.524SS*.Hα-helixtrans-55.2-40.8173.2-91-167.7-65.500112.2D32 K38 D39 L40D32-M36 WeakPolarHBondContact O-CB 3.37Å; D32-M36 PolarHBondContact O-N 3.23Å; M36-K38 VanDerWaalsContact C-N 3.33Å; M36-K38 PolarHBondContact O-N 2.84Å; M36-D39 PolarHBondContact O-N 3.37Å; M36-L40 VanDerWaalsContact O-CB 3.28Å; M36-L40 WeakPolarHBondContact O-CB 3.31Å; M36-L40 PolarHBondContact O-N 2.9Å
37F82.1Confident83.8Confident106 Ų10697.5 Ų97.547%0.46552%0.515SS..Hα-helixtrans-67.2-35178.9-165.7-101.5000112.3H33 M35 K41H33-F37 VanDerWaalsContact O-CB 3.26Å; H33-F37 WeakPolarHBondContact O-CB 3.44Å; H33-F37 PolarHBondContact O-N 3.41Å; M35-F37 PolarHBondContact O-N 2.92Å; F37-K41 HydrophobicContact CD1-CD 4.26Å; F37-K41 HydrophobicContact CE1-CD 4.03Å; F37-K41 WeakPolarHBondContact O-CB 3.44Å; F37-K41 WeakPolarHBondContact O-CG 3.43Å; F37-K41 PolarHBondContact O-N 2.89Å
38K86.3Confident83.3Confident143 Ų14397.1 Ų97.162%0.62251%0.51SS*.Hα-helixtrans-68.3-41.8171.8-74175.4-178.1178.70111.5S34 M35 M36 K41 G42S34-K38 WeakPolarHBondContact O-CG 3.37Å; S34-K38 PolarHBondContact O-N 2.76Å; S34-K38 VanDerWaalsContact O-N 3.12Å; M35-K38 WeakPolarHBondContact O-CB 3.19Å; M35-K38 PolarHBondContact O-N 2.81Å; M36-K38 VanDerWaalsContact C-N 3.33Å; M36-K38 PolarHBondContact O-N 2.84Å; K38-K41 PolarHBondContact O-N 3.43Å; K38-G42 PolarHBondContact O-N 3.4Å
39D88.5Confident83.1Confident96 Ų96100.6 Ų100.651%0.51352%0.522SS..Hα-helixtrans-65.6-41.1177.7-68.7-19.2000111.1M35 M36 G42 A43M35-D39 PolarHBondContact O-N 3.02Å; M36-D39 PolarHBondContact O-N 3.37Å; D39-G42 CarbonylContact O-C 3.54Å; D39-G42 PolarHBondContact O-N 3.38Å; D39-A43 WeakPolarHBondContact O-CB 3.31Å; D39-A43 PolarHBondContact O-N 2.92Å
40L83.1Confident83Confident117 Ų11799.8 Ų99.861%0.61352%0.522SS*.Hα-helixtrans-62.6-42.9174.4-174.567.5000111.4M36 G42 A43 S44M36-L40 VanDerWaalsContact O-CB 3.28Å; M36-L40 WeakPolarHBondContact O-CB 3.31Å; M36-L40 PolarHBondContact O-N 2.9Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-A43 PolarHBondContact O-N 3.2Å; L40-S44 WeakPolarHBondContact O-CB 3.28Å; L40-S44 PolarHBondContact O-N 3.36Å
41K78.4Confident82.5Confident135 Ų13595.1 Ų95.159%0.58750%0.502SS*.Hα-helixtrans-62.2-41.6172.4-81.4-176.3170.1-177.30112.2F37 K38 A45F37-K41 HydrophobicContact CD1-CD 4.26Å; F37-K41 HydrophobicContact CE1-CD 4.03Å; F37-K41 WeakPolarHBondContact O-CB 3.44Å; F37-K41 WeakPolarHBondContact O-CG 3.43Å; F37-K41 PolarHBondContact O-N 2.89Å; K38-K41 PolarHBondContact O-N 3.43Å; K41-A45 PolarHBondContact O-N 2.99Å
42G86.6Confident81.9Confident34 Ų3494.3 Ų94.335%0.35150%0.501SS..Hα-helixtrans-64.9-39.9175.700000112.5K38 D39 L40 R46K38-G42 PolarHBondContact O-N 3.4Å; D39-G42 CarbonylContact O-C 3.54Å; D39-G42 PolarHBondContact O-N 3.38Å; L40-G42 VanDerWaalsContact C-N 3.34Å; G42-R46 WeakPolarHBondContact O-CG 3.35Å; G42-R46 PolarHBondContact O-N 2.95Å; G42-R46 VanDerWaalsContact O-N 3.15Å
43A83.8Confident81.6Confident46 Ų4695.2 Ų95.238%0.3850%0.502SS..Hα-helixtrans-67.3-45.2175.700000111.3D39 L40 A45 R46 V47D39-A43 WeakPolarHBondContact O-CB 3.31Å; D39-A43 PolarHBondContact O-N 2.92Å; L40-A43 PolarHBondContact O-N 3.2Å; A43-A45 VanDerWaalsContact C-N 3.32Å; A43-A45 PolarHBondContact O-N 3.45Å; A43-R46 PolarHBondContact O-N 2.97Å; A43-V47 WeakPolarHBondContact O-CG2 3.32Å; A43-V47 PolarHBondContact O-N 2.84Å
44S76.4Confident81.1Confident63 Ų6394.3 Ų94.344%0.44150%0.499SS..Hα-helixtrans-53.7-49.2173.5-174.20000110.9L40 R46 V47 D48L40-S44 WeakPolarHBondContact O-CB 3.28Å; L40-S44 PolarHBondContact O-N 3.36Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.19Å; S44-V47 PolarHBondContact O-N 3.34Å; S44-V47 VanDerWaalsContact O-N 3.17Å; S44-D48 PolarHBondContact O-N 2.78Å
45A82.9Confident80.5Confident58 Ų5892.5 Ų92.548%0.47949%0.485SS..Hα-helixtrans-63.7-31.7178.700000113.4K41 A43 L49K41-A45 PolarHBondContact O-N 2.99Å; A43-A45 VanDerWaalsContact C-N 3.32Å; A43-A45 PolarHBondContact O-N 3.45Å; A45-L49 PolarHBondContact O-N 3.22Å; A45-L49 VanDerWaalsContact O-N 3.13Å
46R84.6Confident79.8Confident190 Ų19093.9 Ų93.972%0.71749%0.485SS*.Hα-helixtrans-74.6-37.7174.6-71.3175.2-174.8-161.92.8112G42 A43 S44 L49 V50G42-R46 WeakPolarHBondContact O-CG 3.35Å; G42-R46 PolarHBondContact O-N 2.95Å; G42-R46 VanDerWaalsContact O-N 3.15Å; A43-R46 PolarHBondContact O-N 2.97Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.19Å; R46-L49 PolarHBondContact O-N 3.38Å; R46-V50 VanDerWaalsContact O-CG2 3.31Å; R46-V50 WeakPolarHBondContact O-CG2 3.24Å; R46-V50 PolarHBondContact O-N 3.08Å
47V80.5Confident79.4Confident79 Ų7991.9 Ų91.948%0.47948%0.48SS..Hα-helixtrans-62.6-47.4172.9171.30000109.3A43 S44 L49 V50 E51A43-V47 WeakPolarHBondContact O-CG2 3.32Å; A43-V47 PolarHBondContact O-N 2.84Å; S44-V47 PolarHBondContact O-N 3.34Å; S44-V47 VanDerWaalsContact O-N 3.17Å; V47-L49 PolarHBondContact O-N 3.15Å; V47-V50 PolarHBondContact O-N 2.79Å; V47-V50 VanDerWaalsContact O-N 3.12Å; V47-E51 HydrophobicContact CG1-CG 4.19Å; V47-E51 WeakPolarHBondContact O-CB 3.33Å; V47-E51 WeakPolarHBondContact O-CG 3.44Å; V47-E51 PolarHBondContact O-N 3.04Å
48D72.9Confident78.7Confident65 Ų6591.4 Ų91.435%0.34848%0.479SS..Hα-helixtrans-55.9-40.4175.5-64.8-29.2000111.7S44 T52S44-D48 PolarHBondContact O-N 2.78Å; D48-T52 WeakPolarHBondContact O-CB 3.33Å; D48-T52 PolarHBondContact O-N 3.32Å; D48-T52 PolarHBondContact O-OG1 2.88Å
49L84.4Confident77.8Confident101 Ų10188.5 Ų88.553%0.52947%0.473SS..Hα-helixtrans-67-46.7176.1-177.166.5000112.2A45 R46 V47 E51 T52 E53A45-L49 PolarHBondContact O-N 3.22Å; A45-L49 VanDerWaalsContact O-N 3.13Å; R46-L49 PolarHBondContact O-N 3.38Å; V47-L49 PolarHBondContact O-N 3.15Å; L49-E51 VanDerWaalsContact C-N 3.35Å; L49-T52 WeakPolarHBondContact O-CB 3.27Å; L49-T52 PolarHBondContact O-N 3.39Å; L49-E53 PolarHBondContact O-N 3.34Å
50V82.3Confident76.8Confident92 Ų9290.1 Ų90.156%0.55848%0.478SS*.Hα-helixtrans-65-39.8178.9170.50000111.1R46 V47 T52 E53 M54R46-V50 VanDerWaalsContact O-CG2 3.31Å; R46-V50 WeakPolarHBondContact O-CG2 3.24Å; R46-V50 PolarHBondContact O-N 3.08Å; V47-V50 PolarHBondContact O-N 2.79Å; V47-V50 VanDerWaalsContact O-N 3.12Å; V50-T52 VanDerWaalsContact C-N 3.3Å; V50-T52 PolarHBondContact O-N 2.92Å; V50-E53 PolarHBondContact O-N 2.9Å; V50-M54 WeakPolarHBondContact O-CB 3.34Å; V50-M54 PolarHBondContact O-N 3.17Å
51E69.1Low75.6Confident56 Ų5690 Ų9026%0.26248%0.478SS..Hα-helixtrans-58.3-45.1171.9-74.3-172.4153.200110.5V47 L49 E53 M54 D55 R300V47-E51 HydrophobicContact CG1-CG 4.19Å; V47-E51 WeakPolarHBondContact O-CB 3.33Å; V47-E51 WeakPolarHBondContact O-CG 3.44Å; V47-E51 PolarHBondContact O-N 3.04Å; L49-E51 VanDerWaalsContact C-N 3.35Å; E51-E53 PolarHBondContact O-N 3.38Å; E51-M54 PolarHBondContact O-N 3.05Å; E51-D55 WeakPolarHBondContact O-CB 3.33Å; E51-D55 PolarHBondContact O-N 3.25Å; E51-R300 VanDerWaalsContact CD-NH1 3.29Å; E51-R300 IonicContact OE1-NH1 3.96Å; E51-R300 PolarHBondContact OE1-NH1 3.45Å; E51-R300 VanDerWaalsContact OE1-NH1 3.1Å; E51-R300 IonicContact OE2-CZ 2.66Å; E51-R300 IonicContact OE2-NH1 3.79Å; E51-R300 PolarHBondContact OE2-NH1 3.35Å; E51-R300 IonicContact OE2-NH2 3.33Å; E51-R300 PolarHBondContact OE2-NH2 2.65Å
52T75.2Confident73.9Confident88 Ų8886.9 Ų86.954%0.5447%0.473SS..Hα-helixtrans-63-41.1177.3-55.20000112.2D48 L49 V50 Y56D48-T52 WeakPolarHBondContact O-CB 3.33Å; D48-T52 PolarHBondContact O-N 3.32Å; D48-T52 PolarHBondContact O-OG1 2.88Å; L49-T52 WeakPolarHBondContact O-CB 3.27Å; L49-T52 PolarHBondContact O-N 3.39Å; V50-T52 VanDerWaalsContact C-N 3.3Å; V50-T52 PolarHBondContact O-N 2.92Å; T52-Y56 PolarHBondContact O-N 2.73Å; T52-Y56 VanDerWaalsContact O-N 3.08Å
53E80.4Confident72.1Confident117 Ų11790.8 Ų90.855%0.54749%0.492SS..Hα-helixtrans-70.2-38.7177.4-73.2-174.1165.900112.2L49 V50 E51 D55 Y56 V57L49-E53 PolarHBondContact O-N 3.34Å; V50-E53 PolarHBondContact O-N 2.9Å; E51-E53 PolarHBondContact O-N 3.38Å; E53-D55 VanDerWaalsContact C-N 3.35Å; E53-Y56 WeakPolarHBondContact O-CB 3.29Å; E53-Y56 PolarHBondContact O-N 2.74Å; E53-V57 WeakPolarHBondContact O-CG2 3.34Å; E53-V57 PolarHBondContact O-N 2.04Å
54M73.1Confident70.4Confident98 Ų98100 Ų10048%0.48352%0.517SS..Hα-helixtrans-61.2-45.5174.1-171.9-177.27800110.6V50 E51 Y56 V57 E58V50-M54 WeakPolarHBondContact O-CB 3.34Å; V50-M54 PolarHBondContact O-N 3.17Å; E51-M54 PolarHBondContact O-N 3.05Å; M54-Y56 VanDerWaalsContact C-N 3.3Å; M54-Y56 PolarHBondContact O-N 2.98Å; M54-V57 PolarHBondContact O-N 2.74Å; M54-V57 VanDerWaalsContact O-N 3.09Å; M54-E58 WeakPolarHBondContact O-CG 3.41Å; M54-E58 PolarHBondContact O-N 2.91Å
55D68.7Low68.7Low19 Ų19102 Ų10210%0.10254%0.537CS..Hα-helixtrans-58.8-39.3174.3-90.4-15.9000112.1E51 E53 V57 E58 T59 R298E51-D55 WeakPolarHBondContact O-CB 3.33Å; E51-D55 PolarHBondContact O-N 3.25Å; E53-D55 VanDerWaalsContact C-N 3.35Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.23Å; D55-E58 PolarHBondContact O-N 2.82Å; D55-T59 WeakPolarHBondContact O-CG2 3.37Å; D55-T59 PolarHBondContact O-N 2.6Å; D55-T59 PolarHBondContact O-OG1 3.09Å; D55-R298 IonicContact OD1-CZ 2.8Å; D55-R298 IonicContact OD1-NH1 2.78Å; D55-R298 PolarHBondContact OD1-NH1 3.49Å
56Y74.1Confident66.4Low146 Ų146105 Ų10557%0.57355%0.554SS**Hα-helixtrans-64.3-37174.7-179.4-96.8000112.4T52 E53 M54 T59 Q60T52-Y56 PolarHBondContact O-N 2.73Å; T52-Y56 VanDerWaalsContact O-N 3.08Å; E53-Y56 WeakPolarHBondContact O-CB 3.29Å; E53-Y56 PolarHBondContact O-N 2.74Å; M54-Y56 VanDerWaalsContact C-N 3.3Å; M54-Y56 PolarHBondContact O-N 2.98Å; Y56-T59 WeakPolarHBondContact CA-OG1 3.31Å; Y56-T59 PolarHBondContact O-OG1 2.95Å; Y56-Q60 PolarHBondContact O-N 3.18Å; Y56-Q60 PolarHBondContact OH-NE2 3.25Å
57V73.4Confident64.4Low80 Ų80100.2 Ų100.249%0.48555%0.554SS.*Hα-helixtrans-73.3-38.8177174.90000111.6E53 M54 D55 T59 Q60 N61E53-V57 WeakPolarHBondContact O-CG2 3.34Å; E53-V57 PolarHBondContact O-N 2.04Å; M54-V57 PolarHBondContact O-N 2.74Å; M54-V57 VanDerWaalsContact O-N 3.09Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.23Å; V57-T59 VanDerWaalsContact C-N 3.34Å; V57-Q60 PolarHBondContact O-N 3.33Å; V57-N61 WeakPolarHBondContact CG1-ND2 3.38Å; V57-N61 WeakPolarHBondContact O-CB 3.33Å; V57-N61 PolarHBondContact O-N 2.55Å; V57-N61 PolarHBondContact O-ND2 3.12Å
58E68.8Low62.3Low96 Ų96104 Ų10445%0.44957%0.571SS.*Hα-helixtrans-63.4-39.1175.7-74.4-171.8172.500112.2M54 D55 N61 S62 R298M54-E58 WeakPolarHBondContact O-CG 3.41Å; M54-E58 PolarHBondContact O-N 2.91Å; D55-E58 PolarHBondContact O-N 2.82Å; E58-N61 PolarHBondContact O-N 3.26Å; E58-S62 PolarHBondContact O-N 2.89Å; E58-S62 VanDerWaalsContact O-N 3.1Å; E58-R298 IonicContact OE2-NH1 3.74Å; E58-R298 PolarHBondContact OE2-NH1 2.75Å
59T66.6Low60.8Low83 Ų83108.5 Ų108.551%0.50960%0.596SS.*Hα-helixtrans-67.5-34.6178.148.20000112.7D55 Y56 V57D55-T59 WeakPolarHBondContact O-CG2 3.37Å; D55-T59 PolarHBondContact O-N 2.6Å; D55-T59 PolarHBondContact O-OG1 3.09Å; Y56-T59 WeakPolarHBondContact CA-OG1 3.31Å; Y56-T59 PolarHBondContact O-OG1 2.95Å; V57-T59 VanDerWaalsContact C-N 3.34Å
60Q67.3Low58.3Low129 Ų129108.1 Ų108.160%0.60361%0.607SS**Hα-helixtrans-76.6-29.7175.1-70.5-160.3-3.100113.7Y56 V57Y56-Q60 PolarHBondContact O-N 3.18Å; Y56-Q60 PolarHBondContact OH-NE2 3.25Å; V57-Q60 PolarHBondContact O-N 3.33Å
61N57.5Low55.8Low115 Ų115112.2 Ų112.262%0.61562%0.62SS**SBendtrans-104.715.8-175-67.5-63.6000114.4V57 E58 P63V57-N61 WeakPolarHBondContact CG1-ND2 3.38Å; V57-N61 WeakPolarHBondContact O-CB 3.33Å; V57-N61 PolarHBondContact O-N 2.55Å; V57-N61 PolarHBondContact O-ND2 3.12Å; E58-N61 PolarHBondContact O-N 3.26Å; N61-P63 VanDerWaalsContact O-CD 3.27Å; N61-P63 WeakPolarHBondContact O-CD 3.24Å; N61-P63 VanDerWaalsContact O-N 3.14Å
62S43.7Very low54Low69 Ų69119.2 Ų119.248%0.48365%0.65SS.*  trans-58.9119.3179-162.60000110.5E58 R64E58-S62 PolarHBondContact O-N 2.89Å; E58-S62 VanDerWaalsContact O-N 3.1Å; S62-R64 PolarHBondContact O-N 3.43Å
63P49.6Very low51.9Low116 Ų116121.1 Ų121.175%0.75366%0.661SS**  trans-57.8131177.8-22.431.8000110.1N61 A65N61-P63 VanDerWaalsContact O-CD 3.27Å; N61-P63 WeakPolarHBondContact O-CD 3.24Å; N61-P63 VanDerWaalsContact O-N 3.14Å; P63-A65 PolarHBondContact O-N 2.74Å
64R47.3Very low49.5Very low241 Ų241122.7 Ų122.791%0.90967%0.673SS**  trans-62113.4167-74-176.5176.6-179.8-0.4107.7S62 C66S62-R64 PolarHBondContact O-N 3.43Å; R64-C66 PolarHBondContact O-N 2.8Å
65A39.4Very low47.4Very low104 Ų104127.6 Ų127.686%0.8669%0.694SS**  trans-58104.6175.900000110P63P63-A65 PolarHBondContact O-N 2.74Å
66C35.2Very low45.2Very low122 Ų122133.7 Ų133.782%0.82472%0.722SS**  trans-86.5117.7160-65.60000106.7R64R64-C66 PolarHBondContact O-N 2.8Å
67A42.3Very low42.9Very low88 Ų88134.7 Ų134.773%0.72773%0.732SS**  trans-71.8131.9165.600000108.6
68N36.9Very low40.7Very low158 Ų158134.8 Ų134.885%0.84574%0.741SS**  trans-167.2155.4131.1-90.9-19.4000111.9
69N40.6Very low38.6Very low160 Ų160142.1 Ų142.186%0.85677%0.765SS**  trans-76.2139.7-163-55.8-36000114.8
70A33.4Very low36.5Very low93 Ų93141.3 Ų141.377%0.76977%0.773SS**  trans158.7134.1142.700000104
71E29Very low34.5Very low179 Ų179144.1 Ų144.184%0.83679%0.791SS**  -171.7129.870.8-166.8161.4-173.900108.4
72K31.1Very low32.9Very low203 Ų203146.2 Ų146.288%0.88380%0.798SS**  trans-95.8132.3165.1-81.2-177.4172.6-174.10106.8
73V31.9Very low32.1Very low128 Ų128150.3 Ų150.378%0.77681%0.809SS**  trans-144.8127.5151-178.40000109.1
74L29Very low30.9Very low150 Ų150155.3 Ų155.379%0.78581%0.813SS**  trans-81.3157172.1-71.5155.4000109.8
75E29Very low29.9Very low201 Ų201150.8 Ų150.894%0.93981%0.807SS**  trans-152.7136136.3-116.4168-158.500112.3
76Q24.4Very low29.8Very low146 Ų146154 Ų15468%0.68280%0.804SS**  trans-95.1150.4-176.3-77175.3-8600111.7
77E24.9Very low29.7Very low167 Ų167154.8 Ų154.878%0.7880%0.804SS**  trans47127.6133.7-61.4168.1-142.400122.2
78A26.1Very low29.4Very low83 Ų83157.4 Ų157.469%0.68680%0.802SS**  162.3138.1121.500000108.1
79W25.6Very low29.4Very low250 Ų250156 Ų15695%0.94779%0.79SS**  -161.7147.355.5-88.473.7000110.7
80G23Very low29.1Very low66 Ų66157.3 Ų157.368%0.6879%0.791SS**  trans-88.6158.4169.400000113.7
81L25.5Very low29.3Very low187 Ų187159 Ų15998%0.97979%0.787SS**  trans-149.3145.1148.9-89.3175.6000108.8
82Q24.2Very low29.5Very low160 Ų160157.5 Ų157.575%0.74877%0.774SS**  trans-110.9151.6-158.2174.9165.1-8.300111.8
83E26Very low29.7Very low154 Ų154154.4 Ų154.472%0.7276%0.762SS**  trans69.3120.7161.2-78162.8-14700118.4
84R24.6Very low30.1Very low222 Ų222155.4 Ų155.484%0.83876%0.759SS**  169.7126.579-152.2176.4-150.7-151.91.2110.1
85D26.4Very low30.6Very low146 Ų146153.8 Ų153.878%0.78175%0.75SS**  trans167.581.2137.4-82.1-14.9000110.1V87D85-V87 PolarHBondContact O-N 2.9Å; D85-V87 VanDerWaalsContact O-N 3.11Å
86E36.4Very low30.9Very low171 Ų171150.5 Ų150.580%0.79974%0.735SS**THydrogen-bonded Turntrans-73.477.8171.1-65.5173167.700110.4
87V34.1Very low31.6Very low138 Ų138147.9 Ų147.984%0.83673%0.733SS**THydrogen-bonded Turntrans-147.5-2.3163.4-160.50000114.7D85D85-V87 PolarHBondContact O-N 2.9Å; D85-V87 VanDerWaalsContact O-N 3.11Å
88E34.6Very low32.6Very low143 Ų143149.6 Ų149.667%0.66873%0.732SS**SBendtrans-119.314.1-179.8-66.6-166.7170.900114.4E90 W92E88-E90 PolarHBondContact O-N 2.82Å; E88-W92 VanDerWaalsContact O-CD1 3.3Å
89E37.1Very low33.7Very low130 Ų130148.9 Ų148.961%0.60772%0.719SS**Hα-helixtrans-73.2-22.4-169.5-84-179.9155.100115.9
90E35.7Very low35.1Very low186 Ų186138 Ų13887%0.86968%0.681SS**Hα-helixtrans-80.3-18.4-173.8-71.7-175166.800114.5E88E88-E90 PolarHBondContact O-N 2.82Å
91D36.2Very low37.3Very low129 Ų129142.7 Ų142.769%0.6969%0.691SS**Hα-helixtrans-100.6-19.8-177.6-127.69000112.7
92W34Very low40Very low148 Ų148134.6 Ų134.656%0.56165%0.65SS**Hα-helixtrans-88-23.9179.4-75.4109.2000113.9E88 L95 Q96E88-W92 VanDerWaalsContact O-CD1 3.3Å; W92-L95 PolarHBondContact O-N 2.9Å; W92-Q96 WeakPolarHBondContact O-CB 3.37Å; W92-Q96 WeakPolarHBondContact O-CG 3.11Å; W92-Q96 PolarHBondContact O-N 2.91Å
93E35.2Very low42.9Very low137 Ų137129.5 Ų129.564%0.6463%0.629SS**Hα-helixtrans-69.5-35.1176.3-75.8-172.6163.100112.5S97E93-S97 PolarHBondContact O-N 3.24Å; E93-S97 VanDerWaalsContact O-N 3.08Å
94E40Very low45.9Very low149 Ų149125.3 Ų125.370%0.69661%0.61SS**Hα-helixtrans-70.6-32.9176.3-99.6-174170.100112.4S97E94-S97 PolarHBondContact O-OG 3.45Å
95L38.8Very low49.1Very low116 Ų116114.8 Ų114.861%0.60757%0.57SS**Hα-helixtrans-77-35.8175.1-85.4159.5000112.9W92 S97 R98W92-L95 PolarHBondContact O-N 2.9Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-R98 PolarHBondContact O-N 3.25Å
96Q37.1Very low52.2Low133 Ų133107.8 Ų107.862%0.62153%0.533SS*.Hα-helixtrans-72.2-24.8175.1-78.8178.6-6.800113.2W92 R98 V99W92-Q96 WeakPolarHBondContact O-CB 3.37Å; W92-Q96 WeakPolarHBondContact O-CG 3.11Å; W92-Q96 PolarHBondContact O-N 2.91Å; Q96-R98 PolarHBondContact O-N 2.98Å; Q96-R98 VanDerWaalsContact O-N 3.08Å; Q96-V99 PolarHBondContact O-N 3.44Å; Q96-V99 VanDerWaalsContact O-N 3.13Å
97S38.8Very low54.7Low91 Ų91102.1 Ų102.164%0.63651%0.512SS*.THydrogen-bonded Turntrans-63.8-11.9174.978.50000114.8E93 E94 L95E93-S97 PolarHBondContact O-N 3.24Å; E93-S97 VanDerWaalsContact O-N 3.08Å; E94-S97 PolarHBondContact O-OG 3.45Å; L95-S97 VanDerWaalsContact C-N 3.34Å
98R46.1Very low57.5Low203 Ų20396.2 Ų96.277%0.76648%0.479SS*.THydrogen-bonded Turntrans-104.1-3.4178.1-67.9-175170.3-160-5.1113.9L95 Q96 S100L95-R98 PolarHBondContact O-N 3.25Å; Q96-R98 PolarHBondContact O-N 2.98Å; Q96-R98 VanDerWaalsContact O-N 3.08Å; R98-S100 PolarHBondContact O-N 3.39Å
99V48.6Very low60.3Low67 Ų6790.5 Ų90.541%0.40645%0.453SS..SBendtrans-77.6114168.1-1780000106.2Q96 D101 M310Q96-V99 PolarHBondContact O-N 3.44Å; Q96-V99 VanDerWaalsContact O-N 3.13Å; V99-D101 PolarHBondContact O-N 3.19Å; V99-M310 HydrophobicContact CG1-CE 3.75Å
100S55.8Low62.9Low23 Ų2393.4 Ų93.416%0.16146%0.458CS..  trans-56.4126.9173.5166.30000110.4R98 C102 E237R98-S100 PolarHBondContact O-N 3.39Å; S100-C102 PolarHBondContact O-N 3.46Å; S100-C102 VanDerWaalsContact O-N 3.13Å; S100-C102 WeakPolarHBondContact OG-CB 3.44Å; S100-C102 PolarHBondContact OG-N 2.92Å; S100-C102 VanDerWaalsContact OG-N 3.16Å; S100-E237 WeakPolarHBondContact CB-OE1 3.23Å; S100-E237 WeakPolarHBondContact OG-CG 3.22Å; S100-E237 PolarHBondContact OG-OE1 2.86Å
101D67.2Low65.5Low163 Ų16386.6 Ų86.687%0.87243%0.431SS*.SBendtrans-64.8-10.3173.6-72.7-29.9000112.6V99 V103V99-D101 PolarHBondContact O-N 3.19Å; D101-V103 PolarHBondContact O-N 2.93Å
102C83.8Confident68.3Low18 Ų1882.5 Ų82.512%0.12241%0.411CS..  trans-75.7115179.1-170.30000109.8S100 D236 C284S100-C102 PolarHBondContact O-N 3.46Å; S100-C102 VanDerWaalsContact O-N 3.13Å; S100-C102 WeakPolarHBondContact OG-CB 3.44Å; S100-C102 PolarHBondContact OG-N 2.92Å; S100-C102 VanDerWaalsContact OG-N 3.16Å; C102-D236 HydrophobicContact CB-CB 4.23Å; C102-C284 WeakPolarHBondContact CA-SG 3.39Å; C102-C284 HydrophobicContact CB-CB 4.11Å; C102-C284 WeakPolarHBondContact CB-SG 3.45Å; C102-C284 PolarHBondContact O-SG 2.72Å; C102-C284 WeakPolarHBondContact SG-CB 3.26Å; C102-C284 CovalentContact SG-SG 2.01Å; C102-C284 PolarHBondContact SG-SG 3.15Å
103V85.5Confident71.2Confident52 Ų5281.2 Ų81.232%0.31541%0.409SS..  trans-118.934.3178.8-68.90000111.8D101 C284 T357 K358D101-V103 PolarHBondContact O-N 2.93Å; V103-C284 PolarHBondContact N-SG 3.02Å; V103-C284 VanDerWaalsContact N-SG 3.45Å; V103-T357 HydrophobicContact CB-CG2 4.21Å; V103-T357 HydrophobicContact CG2-CG2 3.74Å; V103-T357 CarbonylContact O-C 3.55Å; V103-T357 VanDerWaalsContact O-CA 3.29Å; V103-T357 WeakPolarHBondContact O-CA 3.43Å; V103-T357 WeakPolarHBondContact O-CG2 3.14Å; V103-K358 WeakPolarHBondContact O-CG 3.32Å; V103-K358 PolarHBondContact O-N 3.3Å
104E88.4Confident74Confident67 Ų6778.9 Ų78.931%0.31340%0.4SS..EExtended strand (participates in β ladder)trans-94.8142.2-178.3-68-163.1155.200113C284 I355 K358E104-C284 HydrophobicContact CB-CB 4.18Å; E104-C284 PolarHBondContact N-SG 3.22Å; E104-C284 WeakPolarHBondContact O-CB 3.36Å; E104-I355 HydrophobicContact CB-CG2 3.56Å; E104-I355 HydrophobicContact CG-CG2 3.8Å; E104-K358 WeakPolarHBondContact O-CE 3.46Å
105I90.5Very high76.6Confident0 Ų072.8 Ų72.80%037%0.372CS..EExtended strand (participates in β ladder)trans-136.3144.2173.9176.6-175000109.8S107 Y288 M311 P317 I355 K356 K358I105-S107 PolarHBondContact O-N 3.13Å; I105-Y288 WeakPolarHBondContact CA-OH 3.34Å; I105-Y288 WeakPolarHBondContact CG1-OH 3.31Å; I105-M311 HydrophobicContact CB-CE 3.53Å; I105-M311 HydrophobicContact CB-SD 4.44Å; I105-M311 HydrophobicContact CD1-CE 3.45Å; I105-M311 VanDerWaalsContact CD1-CE 3.45Å; I105-M311 HydrophobicContact CD1-SD 3.21Å; I105-M311 WeakPolarHBondContact CD1-SD 3.22Å; I105-M311 HydrophobicContact CG1-CE 3.44Å; I105-M311 VanDerWaalsContact CG1-CE 3.44Å; I105-M311 HydrophobicContact CG1-SD 3.94Å; I105-P317 HydrophobicContact CD1-CG 4.45Å; I105-I355 CarbonylContact O-C 3.57Å; I105-I355 WeakPolarHBondContact O-CA 3.1Å; I105-K356 HydrophobicContact CG2-CD 4.11Å; I105-K356 HydrophobicContact CG2-CG 3.42Å; I105-K356 VanDerWaalsContact CG2-CG 3.42Å; I105-K356 WeakPolarHBondContact CG2-O 3.15Å; I105-K356 PolarHBondContact N-O 3.04Å; I105-K356 PolarHBondContact O-N 3.17Å; I105-K356 VanDerWaalsContact O-O 3.13Å; I105-K358 HydrophobicContact CB-CG 4.03Å; I105-K358 HydrophobicContact CG2-CG 4.11Å
106I91.9Very high79.1Confident0 Ų069 Ų690%035%0.351CS..EExtended strand (participates in β ladder)trans-73.9122.7174.4-57.2174.9000110.1F281 V283 Y288 P317 L319 L353I106-F281 HydrophobicContact CD1-CD2 4.44Å; I106-F281 HydrophobicContact CD1-CE2 3.37Å; I106-F281 HydrophobicContact CD1-CZ 3.91Å; I106-V283 HydrophobicContact CD1-CG2 3.81Å; I106-V283 HydrophobicContact CG1-CG2 4.27Å; I106-Y288 HydrophobicContact CB-CE1 3.94Å; I106-Y288 HydrophobicContact CD1-CD1 4.33Å; I106-Y288 HydrophobicContact CD1-CD2 4.29Å; I106-Y288 HydrophobicContact CD1-CE1 4.14Å; I106-Y288 HydrophobicContact CD1-CE2 4.13Å; I106-Y288 HydrophobicContact CD1-CG 4.41Å; I106-Y288 HydrophobicContact CG1-CE1 4.19Å; I106-Y288 HydrophobicContact CG1-CE2 4.37Å; I106-Y288 PolarHBondContact N-OH 2.89Å; I106-P317 WeakPolarHBondContact O-CG 3Å; I106-L319 HydrophobicContact CB-CD1 4.06Å; I106-L319 HydrophobicContact CG2-CD1 3.48Å; I106-L319 VanDerWaalsContact CG2-CD1 3.48Å; I106-L353 HydrophobicContact CD1-CD1 3.68Å; I106-L353 HydrophobicContact CD1-CD2 4.27Å; I106-L353 HydrophobicContact CD1-CG 4.5Å; I106-L353 HydrophobicContact CG1-CD1 4.16Å; I106-L353 HydrophobicContact CG2-CD2 4.28Å
107S90.1Very high81.9Confident51 Ų5169.5 Ų69.536%0.35735%0.347SS..EExtended strand (participates in β ladder)trans-96.5-16.8171.752.70000113.5I105 T354I105-S107 PolarHBondContact O-N 3.13Å; S107-T354 PolarHBondContact N-O 3.25Å; S107-T354 WeakPolarHBondContact OG-CG2 3.45Å; S107-T354 PolarHBondContact OG-O 3.27Å
108G91.6Very high84.4Confident15 Ų1566.4 Ų66.416%0.15532%0.323CS..EExtended strand (participates in β ladder)trans-174.2160.3-177.100000115.1T354G108-T354 PolarHBondContact N-O 2.87Å; G108-T354 PolarHBondContact O-N 3.5Å
109I93.8Very high86.6Confident22 Ų2259 Ų5911%0.11331%0.309CS..EExtended strand (participates in β ladder)trans-102.397.9168.2-55.5175.2000108.1F321 P322 Y351 L353I109-F321 HydrophobicContact CD1-CB 4.48Å; I109-F321 HydrophobicContact CD1-CD1 3.71Å; I109-F321 HydrophobicContact CD1-CD2 3.68Å; I109-F321 HydrophobicContact CD1-CE1 3.71Å; I109-F321 HydrophobicContact CD1-CE2 3.68Å; I109-F321 HydrophobicContact CD1-CG 3.7Å; I109-F321 HydrophobicContact CD1-CZ 3.69Å; I109-P322 VanDerWaalsContact CG2-CD 3.47Å; I109-P322 HydrophobicContact CG2-CG 3.98Å; I109-Y351 HydrophobicContact CG2-CD1 3.99Å; I109-Y351 HydrophobicContact CG2-CG 4.34Å; I109-L353 HydrophobicContact CG1-CD2 4.08Å
110R91.1Very high88.9Confident192 Ų19258.1 Ų58.173%0.72531%0.306SS*.EExtended strand (participates in β ladder)trans-65.7-44.6-169.4-176.2178.5177.6-178.73113.6R352R110-R352 WeakPolarHBondContact CB-O 3.26Å; R110-R352 PolarHBondContact N-O 3.32Å
111S91.8Very high90.7Very high42 Ų4260.8 Ų60.829%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-159.2152.9-173.465.20000112.4Y351 R352S111-Y351 WeakPolarHBondContact O-CA 3.41Å; S111-R352 PolarHBondContact O-N 3.06Å
112V94.9Very high92.1Very high44 Ų4455.5 Ų55.527%0.26729%0.292SS..EExtended strand (participates in β ladder)trans-113.7139.7174.159.10000110.8P322 I349 I350 Y351V112-P322 HydrophobicContact CB-CG 4.13Å; V112-P322 HydrophobicContact CG1-CG 4.19Å; V112-I349 HydrophobicContact CG2-CG2 3.41Å; V112-I349 VanDerWaalsContact CG2-CG2 3.41Å; V112-I350 CarbonylContact C-O 3.41Å; V112-I350 WeakPolarHBondContact CA-O 3.27Å; V112-Y351 HydrophobicContact CB-CD1 3.81Å; V112-Y351 HydrophobicContact CB-CE1 3.72Å; V112-Y351 HydrophobicContact CG2-CD1 3.82Å; V112-Y351 HydrophobicContact CG2-CE1 3.37Å
113K94.4Very high92.8Very high120 Ų12054.6 Ų54.652%0.52229%0.286SS..EExtended strand (participates in β ladder)trans-132.6118.1171.8-175-174.5-176.8-168.40109.9L115 I349 I350K113-L115 HydrophobicContact CD-CD2 3.75Å; K113-L115 VanDerWaalsContact CE-CD2 3.49Å; K113-L115 HydrophobicContact CG-CD2 4.18Å; K113-I349 CarbonylContact O-C 3.57Å; K113-I349 WeakPolarHBondContact O-CA 3.34Å; K113-I350 HydrophobicContact CB-CB 4.46Å; K113-I350 PolarHBondContact N-O 2.77Å; K113-I350 PolarHBondContact O-N 2.79Å
114I93.9Very high93.3Very high89 Ų8952.1 Ų52.146%0.45627%0.271SS..EExtended strand (participates in β ladder)trans-82.2118.5169-51.7-176.2000107.4Y347I114-Y347 HydrophobicContact CG2-CD1 3.67Å; I114-Y347 HydrophobicContact CG2-CE1 4.46Å; I114-Y347 HydrophobicContact CG2-CG 4.41Å
115L93.8Very high93.7Very high21 Ų2149 Ų4911%0.1126%0.257CS..EExtended strand (participates in β ladder)trans-83-48.5176.8-72.2-168.7000111.8K113 W125 V151 F154 Q348 I350K113-L115 HydrophobicContact CD-CD2 3.75Å; K113-L115 VanDerWaalsContact CE-CD2 3.49Å; K113-L115 HydrophobicContact CG-CD2 4.18Å; L115-W125 HydrophobicContact CD1-CH2 3.35Å; L115-W125 HydrophobicContact CD1-CZ2 4.44Å; L115-W125 HydrophobicContact CD1-CZ3 3.66Å; L115-W125 HydrophobicContact CG-CH2 4.17Å; L115-V151 HydrophobicContact CD1-CG1 3.48Å; L115-V151 VanDerWaalsContact CD1-CG1 3.48Å; L115-F154 HydrophobicContact CD1-CD1 4.28Å; L115-Q348 PolarHBondContact N-O 2.82Å; L115-I350 HydrophobicContact CD1-CD1 3.77Å; L115-I350 HydrophobicContact CD1-CG1 4.26Å; L115-I350 HydrophobicContact CD2-CD1 4.33Å; L115-I350 HydrophobicContact CG-CD1 4.1Å; L115-I350 HydrophobicContact CG-CG1 4.34Å
116K92.5Very high94Very high37 Ų3749.2 Ų49.216%0.16126%0.258CS..EExtended strand (participates in β ladder)trans-163167-169-152.8175.2-170174.10110.7F154 S157 G159 Y347 Q348K116-F154 HydrophobicContact CB-CE1 4.14Å; K116-F154 HydrophobicContact CB-CZ 4.23Å; K116-F154 HydrophobicContact CD-CE1 4.41Å; K116-F154 HydrophobicContact CD-CE2 4.35Å; K116-F154 HydrophobicContact CD-CZ 4.07Å; K116-F154 PolarHBondContact NZ-O 3.22Å; K116-F154 VanDerWaalsContact NZ-O 3.14Å; K116-S157 WeakPolarHBondContact CE-O 3.49Å; K116-S157 PolarHBondContact NZ-O 3.43Å; K116-S157 PolarHBondContact NZ-OG 3.25Å; K116-G159 PolarHBondContact NZ-O 3.34Å; K116-G159 VanDerWaalsContact NZ-O 3.16Å; K116-Y347 CarbonylContact O-C 3.52Å; K116-Y347 VanDerWaalsContact O-CA 3.3Å; K116-Y347 WeakPolarHBondContact O-CA 3.35Å; K116-Q348 PolarHBondContact O-N 3.39Å; K116-Q348 PolarHBondContact O-OE1 2.65Å; K116-Q348 VanDerWaalsContact O-OE1 3.13Å
117R94.5Very high94.2Very high142 Ų14251.7 Ų51.754%0.53627%0.268SS..EExtended strand (participates in β ladder)trans-120118.8162.8-163.6-174.3-173.3-1326.1109.2D345 G346 Y347R117-D345 IonicContact CZ-OD2 3.85Å; R117-D345 PolarHBondContact NE-O 3.18Å; R117-D345 VanDerWaalsContact NE-O 3.11Å; R117-D345 IonicContact NH2-OD1 3.85Å; R117-D345 IonicContact NH2-OD2 2.87Å; R117-D345 PolarHBondContact NH2-OD2 3.4Å; R117-G346 CarbonylContact C-O 3.59Å; R117-G346 VanDerWaalsContact CA-O 3.22Å; R117-G346 WeakPolarHBondContact CA-O 3.41Å; R117-G346 WeakPolarHBondContact CG-O 3.4Å; R117-Y347 HydrophobicContact CB-CD1 3.7Å; R117-Y347 HydrophobicContact CB-CE1 3.76Å; R117-Y347 HydrophobicContact CB-CG 4.32Å; R117-Y347 HydrophobicContact CG-CD1 3.91Å; R117-Y347 HydrophobicContact CG-CD2 4.26Å; R117-Y347 HydrophobicContact CG-CE1 3.94Å; R117-Y347 HydrophobicContact CG-CE2 4.27Å; R117-Y347 HydrophobicContact CG-CG 4.09Å
118I93.1Very high94.4Very high27 Ų2749.4 Ų49.414%0.13825%0.252CS..  trans-149.8146.9175.6-164.6177.6000110.7F154 G159 V160 W343 G346 Q348I118-F154 HydrophobicContact CG2-CE2 4.2Å; I118-F154 HydrophobicContact CG2-CZ 4.09Å; I118-G159 VanDerWaalsContact CD1-CA 3.4Å; I118-G159 VanDerWaalsContact CD1-O 3.32Å; I118-G159 WeakPolarHBondContact CD1-O 3.43Å; I118-V160 HydrophobicContact CD1-CB 4.46Å; I118-V160 HydrophobicContact CD1-CG1 3.54Å; I118-W343 HydrophobicContact CG2-CH2 4.43Å; I118-W343 WeakPolarHBondContact O-CH2 3.33Å; I118-W343 WeakPolarHBondContact O-CZ2 3.23Å; I118-G346 PolarHBondContact N-O 3.43Å; I118-G346 VanDerWaalsContact O-O 3.11Å; I118-Q348 PolarHBondContact O-NE2 2.85Å
119G92.5Very high94.5Very high46 Ų4649.3 Ų49.347%0.47425%0.248SC..SBendtrans84.5-160.4172.300000113.1N138G119-N138 WeakPolarHBondContact CA-OD1 3.33Å
120S95.2Very high94.3Very high49 Ų4953.7 Ų53.734%0.34327%0.266SS..  trans-72.2161.2-179.5-62.30000111.2K122 N138 W343 G346S120-K122 WeakPolarHBondContact CB-O 3.21Å; S120-K122 PolarHBondContact O-N 3.19Å; S120-N138 WeakPolarHBondContact CB-OD1 3.41Å; S120-N138 PolarHBondContact N-OD1 2.99Å; S120-N138 PolarHBondContact OG-OD1 2.87Å; S120-W343 PolarHBondContact O-NE1 3.44Å; S120-G346 VanDerWaalsContact O-CA 3.29Å; S120-G346 WeakPolarHBondContact O-CA 3.38Å; S120-G346 PolarHBondContact O-N 3.07Å
121P95Very high94.4Very high79 Ų7946.1 Ų46.151%0.51324%0.242SC..SBendtrans-53.9-39.7175.4-28.636.7000113W343 D345 G346P121-W343 PolarHBondContact O-NE1 3.14Å; P121-D345 WeakPolarHBondContact CB-OD1 3.42Å; P121-D345 VanDerWaalsContact O-CA 3.27Å; P121-D345 WeakPolarHBondContact O-CA 3.44Å; P121-D345 PolarHBondContact O-N 3.38Å; P121-D345 VanDerWaalsContact O-N 3.17Å; P121-G346 PolarHBondContact O-N 2.89Å
122K96.4Very high94.5Very high52 Ų5247 Ų4723%0.22625%0.249CC..SBendtrans-106.6146.8176.2-65.3-174.1173.1-177.50111.1S120 G139 T140 N225 E227 A329S120-K122 WeakPolarHBondContact CB-O 3.21Å; S120-K122 PolarHBondContact O-N 3.19Å; K122-G139 CarbonylContact O-C 3.55Å; K122-G139 WeakPolarHBondContact O-CA 3.18Å; K122-G139 PolarHBondContact O-N 2.83Å; K122-T140 HydrophobicContact CB-CG2 3.66Å; K122-T140 HydrophobicContact CD-CG2 3.88Å; K122-T140 HydrophobicContact CG-CG2 4.4Å; K122-N225 WeakPolarHBondContact CE-OD1 3.39Å; K122-N225 PolarHBondContact NZ-OD1 3.32Å; K122-E227 IonicContact NZ-OE1 2.75Å; K122-E227 PolarHBondContact NZ-OE1 2.78Å; K122-E227 IonicContact NZ-OE2 2.64Å; K122-E227 PolarHBondContact NZ-OE2 3.49Å; K122-A329 HydrophobicContact CB-CB 4.02Å; K122-A329 HydrophobicContact CG-CB 3.97Å
123G97Very high94.6Very high0 Ų048.3 Ų48.30%025%0.251CS..EExtended strand (participates in β ladder)trans172-174.4-179.500000109.9F137 P175 S330 W343G123-F137 WeakPolarHBondContact CA-O 3.03Å; G123-P175 WeakPolarHBondContact O-CB 3.2Å; G123-S330 PolarHBondContact O-OG 2.79Å; G123-W343 WeakPolarHBondContact O-CB 3.22Å
124M96.6Very high94.6Very high0 Ų042.6 Ų42.60%023%0.226CC..EExtended strand (participates in β ladder)trans-143.8157.1171.263.5163.9-70.700110.8T126 F137 P175 S177 S330 K332M124-T126 HydrophobicContact CE-CG2 4.08Å; M124-F137 HydrophobicContact CE-CD2 3.99Å; M124-F137 HydrophobicContact CE-CE2 4.14Å; M124-F137 HydrophobicContact CG-CB 3.53Å; M124-F137 HydrophobicContact CG-CD2 3.72Å; M124-F137 HydrophobicContact CG-CG 3.74Å; M124-F137 PolarHBondContact N-O 2.77Å; M124-F137 PolarHBondContact O-N 2.92Å; M124-F137 HydrophobicContact SD-CD2 4.03Å; M124-F137 HydrophobicContact SD-CG 4.16Å; M124-P175 HydrophobicContact CB-CB 4.04Å; M124-P175 HydrophobicContact CG-CB 4.38Å; M124-S177 WeakPolarHBondContact CE-O 3.41Å; M124-S177 WeakPolarHBondContact SD-CB 3.31Å; M124-S177 PolarHBondContact SD-N 3.48Å; M124-S330 VanDerWaalsContact CA-OG 3.27Å; M124-S330 WeakPolarHBondContact CA-OG 3.46Å; M124-S330 VanDerWaalsContact CB-OG 3.24Å; M124-S330 WeakPolarHBondContact CB-OG 3.38Å; M124-K332 HydrophobicContact CE-CD 4.37Å; M124-K332 HydrophobicContact CE-CG 4.27Å
125W97.4Very high94.8Very high0 Ų038.5 Ų38.50%021%0.205CC..EExtended strand (participates in β ladder)trans-146.6145.6171.671.4-48.1000108.4L115 L134 Y135 V136 F154 Y341 G342 W343 Q348 I349 I350L115-W125 HydrophobicContact CD1-CH2 3.35Å; L115-W125 HydrophobicContact CD1-CZ2 4.44Å; L115-W125 HydrophobicContact CD1-CZ3 3.66Å; L115-W125 HydrophobicContact CG-CH2 4.17Å; W125-L134 HydrophobicContact CE3-CD1 3.53Å; W125-L134 HydrophobicContact CE3-CD2 3.85Å; W125-L134 HydrophobicContact CE3-CG 4.1Å; W125-L134 HydrophobicContact CZ3-CD1 3.64Å; W125-L134 HydrophobicContact CZ3-CD2 3.96Å; W125-L134 HydrophobicContact CZ3-CG 4.39Å; W125-Y135 CarbonylContact C-O 3.59Å; W125-Y135 WeakPolarHBondContact CA-O 3.37Å; W125-V136 HydrophobicContact CB-CG2 4.02Å; W125-F154 HydrophobicContact CE3-CE1 4.22Å; W125-F154 HydrophobicContact CZ3-CD1 4.23Å; W125-F154 HydrophobicContact CZ3-CE1 4.17Å; W125-Y341 AromaticContact CD2-CD1 3.91Å; W125-Y341 HydrophobicContact CD2-CD1 3.91Å; W125-Y341 AromaticContact CE2-CD1 3.7Å; W125-Y341 AromaticContact CE3-CD1 3.91Å; W125-Y341 HydrophobicContact CE3-CD1 3.91Å; W125-Y341 HydrophobicContact CE3-CE1 4.36Å; W125-Y341 AromaticContact CH2-CD1 3.42Å; W125-Y341 HydrophobicContact CH2-CD1 3.42Å; W125-Y341 VanDerWaalsContact CH2-CD1 3.42Å; W125-Y341 AromaticContact CH2-CE1 3.67Å; W125-Y341 HydrophobicContact CH2-CE1 3.67Å; W125-Y341 AromaticContact CZ2-CD1 3.47Å; W125-Y341 HydrophobicContact CZ2-CD1 3.47Å; W125-Y341 VanDerWaalsContact CZ2-CD1 3.47Å; W125-Y341 HydrophobicContact CZ2-CE1 4.18Å; W125-Y341 HydrophobicContact CZ2-CG 4.27Å; W125-Y341 AromaticContact CZ3-CD1 3.68Å; W125-Y341 HydrophobicContact CZ3-CD1 3.68Å; W125-Y341 AromaticContact CZ3-CE1 3.79Å; W125-Y341 HydrophobicContact CZ3-CE1 3.79Å; W125-Y341 WeakPolarHBondContact O-CB 3.49Å; W125-G342 PolarHBondContact NE1-O 3.46Å; W125-W343 HydrophobicContact CB-CE3 4Å; W125-W343 HydrophobicContact CB-CZ3 4.07Å; W125-W343 AromaticContact CD1-CE3 3.84Å; W125-W343 HydrophobicContact CG-CE3 4.07Å; W125-W343 HydrophobicContact CG-CZ3 4.46Å; W125-Q348 HydrophobicContact CB-CG 4.49Å; W125-Q348 HydrophobicContact CD2-CB 3.74Å; W125-Q348 HydrophobicContact CD2-CG 3.74Å; W125-Q348 HydrophobicContact CE3-CB 4.07Å; W125-Q348 HydrophobicContact CE3-CG 4.15Å; W125-Q348 HydrophobicContact CG-CB 4.3Å; W125-Q348 HydrophobicContact CG-CG 3.86Å; W125-Q348 HydrophobicContact CH2-CB 4.22Å; W125-Q348 HydrophobicContact CZ2-CB 3.83Å; W125-Q348 HydrophobicContact CZ3-CB 4.31Å; W125-I349 VanDerWaalsContact CZ2-O 3.31Å; W125-I349 WeakPolarHBondContact CZ2-O 3.38Å; W125-I350 HydrophobicContact CH2-CD1 3.95Å; W125-I350 HydrophobicContact CH2-CG1 3.57Å; W125-I350 HydrophobicContact CZ2-CG1 3.79Å
126T96.8Very high95Very high6 Ų637.7 Ų37.74%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-151.9157.7-179.1-170.70000109.8M124 L134 Y135 V179M124-T126 HydrophobicContact CE-CG2 4.08Å; T126-L134 WeakPolarHBondContact O-CD1 3.29Å; T126-Y135 PolarHBondContact N-O 3.05Å; T126-Y135 PolarHBondContact O-N 2.9Å; T126-V179 HydrophobicContact CG2-CB 4.01Å; T126-V179 HydrophobicContact CG2-CG2 3.82Å
127R95.6Very high95.3Very high51 Ų5135.9 Ų35.919%0.19219%0.193CC..EExtended strand (participates in β ladder)trans-109.2134.2170.9-176-169.6163.5153.3-8.1107.6P129 S131 K133 L134 N334 E337 Y341R127-P129 WeakPolarHBondContact O-CD 3.43Å; R127-S131 PolarHBondContact NE-O 3.26Å; R127-S131 PolarHBondContact NH2-O 2.84Å; R127-K133 WeakPolarHBondContact CA-O 3.12Å; R127-K133 WeakPolarHBondContact CG-O 3.49Å; R127-L134 HydrophobicContact CB-CD1 4.13Å; R127-N334 PolarHBondContact O-ND2 3.22Å; R127-E337 IonicContact CZ-OE1 3.76Å; R127-E337 IonicContact NE-OE1 2.74Å; R127-E337 IonicContact NH1-OE1 3.45Å; R127-E337 PolarHBondContact NH1-OE1 2.8Å; R127-Y341 HydrophobicContact CB-CE1 3.97Å; R127-Y341 HydrophobicContact CB-CE2 4.07Å; R127-Y341 WeakPolarHBondContact CB-OH 3.42Å; R127-Y341 WeakPolarHBondContact CD-OH 3.41Å
128D95.1Very high95.4Very high4 Ų431.7 Ų31.72%0.02118%0.181CC..  trans-64.1121.2170.3174.29.8000109.1K130 S131 K133 Y135 V179 N181 G182D128-K130 PolarHBondContact O-N 3.35Å; D128-K130 PolarHBondContact OD1-N 3.32Å; D128-K130 VanDerWaalsContact OD1-N 3.12Å; D128-S131 WeakPolarHBondContact CB-OG 3.49Å; D128-S131 CarbonylContact O-C 3.48Å; D128-S131 PolarHBondContact O-N 2.97Å; D128-S131 VanDerWaalsContact O-N 3.11Å; D128-S131 PolarHBondContact OD2-OG 2.87Å; D128-S131 VanDerWaalsContact OD2-OG 3.06Å; D128-K133 PolarHBondContact N-O 3.34Å; D128-Y135 HydrophobicContact CB-CE2 4.04Å; D128-V179 HydrophobicContact CB-CG1 3.8Å; D128-N181 PolarHBondContact OD1-N 3.14Å; D128-G182 PolarHBondContact OD2-N 3.12Å
129P92.2Very high95.5Very high12 Ų1230.9 Ų30.98%0.07818%0.179CC..THydrogen-bonded Turntrans-54.8-38.9-179.7-25.735.2000112.5R127 S131 Y180 P335 E336R127-P129 WeakPolarHBondContact O-CD 3.43Å; P129-S131 VanDerWaalsContact C-N 3.29Å; P129-S131 PolarHBondContact O-N 3.23Å; P129-Y180 HydrophobicContact CG-CD2 4.28Å; P129-P335 HydrophobicContact CB-CG 4.1Å; P129-P335 HydrophobicContact CG-CG 4.09Å; P129-E336 HydrophobicContact CB-CB 4.38Å; P129-E336 HydrophobicContact CB-CG 3.79Å; P129-E336 WeakPolarHBondContact O-CG 3.41Å
130K90.9Very high95.6Very high115 Ų11530.9 Ų30.950%0.517%0.17SC..THydrogen-bonded Turntrans-84.21.3-176.4-59.8-57.9179.4-167.60114.1D128 N181 E336D128-K130 PolarHBondContact O-N 3.35Å; D128-K130 PolarHBondContact OD1-N 3.32Å; D128-K130 VanDerWaalsContact OD1-N 3.12Å; K130-N181 HydrophobicContact CG-CB 4.4Å; K130-E336 IonicContact NZ-OE1 3.58Å; K130-E336 PolarHBondContact NZ-OE1 2.83Å
131S93.3Very high95.7Very high32 Ų3231.5 Ų31.522%0.22418%0.175CC..SBendtrans-139.5176.117782.10000113.3R127 D128 P129 K133R127-S131 PolarHBondContact NE-O 3.26Å; R127-S131 PolarHBondContact NH2-O 2.84Å; D128-S131 WeakPolarHBondContact CB-OG 3.49Å; D128-S131 CarbonylContact O-C 3.48Å; D128-S131 PolarHBondContact O-N 2.97Å; D128-S131 VanDerWaalsContact O-N 3.11Å; D128-S131 PolarHBondContact OD2-OG 2.87Å; D128-S131 VanDerWaalsContact OD2-OG 3.06Å; P129-S131 VanDerWaalsContact C-N 3.29Å; P129-S131 PolarHBondContact O-N 3.23Å; S131-K133 VanDerWaalsContact C-N 3.3Å; S131-K133 WeakPolarHBondContact OG-CB 3.39Å; S131-K133 PolarHBondContact OG-N 3.11Å
132S93Very high95.7Very high62 Ų6228.5 Ų28.543%0.43416%0.158SC..SBendtrans-86.3-5.4171.668.60000113.3K149 S150S132-K149 CarbonylContact C-O 3.58Å; S132-K149 PolarHBondContact OG-O 2.83Å; S132-S150 WeakPolarHBondContact O-CA 3.36Å
133K96.6Very high95.7Very high71 Ų7129.4 Ų29.431%0.30917%0.165SC..  trans-76.6141.8-169.6-64.3178.2168.8-165.40111.3R127 D128 S131 Y135 E147 F148R127-K133 WeakPolarHBondContact CA-O 3.12Å; R127-K133 WeakPolarHBondContact CG-O 3.49Å; D128-K133 PolarHBondContact N-O 3.34Å; S131-K133 VanDerWaalsContact C-N 3.3Å; S131-K133 WeakPolarHBondContact OG-CB 3.39Å; S131-K133 PolarHBondContact OG-N 3.11Å; K133-Y135 HydrophobicContact CB-CE2 3.79Å; K133-Y135 VanDerWaalsContact CD-OH 3.26Å; K133-Y135 WeakPolarHBondContact CD-OH 3.33Å; K133-E147 HydrophobicContact CD-CG 4.31Å; K133-E147 WeakPolarHBondContact CD-OE2 3.11Å; K133-E147 IonicContact NZ-OE1 2.78Å; K133-E147 IonicContact NZ-OE2 2.8Å; K133-E147 PolarHBondContact NZ-OE2 2.78Å; K133-F148 VanDerWaalsContact CA-O 3.32Å; K133-F148 WeakPolarHBondContact CA-O 3.35Å
134L96.3Very high95.7Very high0 Ų030.7 Ų30.70%017%0.173CC..EExtended strand (participates in β ladder)trans-116.4138.6-180-178.384000109.1W125 T126 R127 V136 E147 F148 V151 F154 Y341W125-L134 HydrophobicContact CE3-CD1 3.53Å; W125-L134 HydrophobicContact CE3-CD2 3.85Å; W125-L134 HydrophobicContact CE3-CG 4.1Å; W125-L134 HydrophobicContact CZ3-CD1 3.64Å; W125-L134 HydrophobicContact CZ3-CD2 3.96Å; W125-L134 HydrophobicContact CZ3-CG 4.39Å; T126-L134 WeakPolarHBondContact O-CD1 3.29Å; R127-L134 HydrophobicContact CB-CD1 4.13Å; L134-V136 HydrophobicContact CD2-CG2 4.44Å; L134-E147 CarbonylContact O-C 3.28Å; L134-E147 WeakPolarHBondContact O-CA 3.45Å; L134-F148 HydrophobicContact CB-CB 4.3Å; L134-F148 HydrophobicContact CD2-CD2 4.43Å; L134-F148 PolarHBondContact N-O 2.99Å; L134-F148 PolarHBondContact O-N 3.28Å; L134-V151 HydrophobicContact CD1-CG2 4.41Å; L134-F154 HydrophobicContact CD2-CB 3.46Å; L134-F154 VanDerWaalsContact CD2-CB 3.46Å; L134-F154 HydrophobicContact CD2-CD1 3.67Å; L134-F154 HydrophobicContact CD2-CD2 4.02Å; L134-F154 HydrophobicContact CD2-CE1 4.44Å; L134-F154 HydrophobicContact CD2-CG 3.42Å; L134-F154 VanDerWaalsContact CD2-CG 3.42Å; L134-Y341 HydrophobicContact CD1-CD1 4.25Å; L134-Y341 HydrophobicContact CD1-CE1 3.85Å
135Y97.8Very high95.8Very high3 Ų330.7 Ų30.71%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-120.8134.2-178.2-58.4-87.8000109.8W125 T126 D128 K133 V145 Y146 E147 I166 V179 L202W125-Y135 CarbonylContact C-O 3.59Å; W125-Y135 WeakPolarHBondContact CA-O 3.37Å; T126-Y135 PolarHBondContact N-O 3.05Å; T126-Y135 PolarHBondContact O-N 2.9Å; D128-Y135 HydrophobicContact CB-CE2 4.04Å; K133-Y135 HydrophobicContact CB-CE2 3.79Å; K133-Y135 VanDerWaalsContact CD-OH 3.26Å; K133-Y135 WeakPolarHBondContact CD-OH 3.33Å; Y135-V145 HydrophobicContact CD1-CG1 4.23Å; Y135-Y146 CarbonylContact C-O 3.53Å; Y135-Y146 WeakPolarHBondContact CA-O 3.47Å; Y135-E147 HydrophobicContact CD1-CB 4.11Å; Y135-E147 HydrophobicContact CD1-CG 4.28Å; Y135-E147 HydrophobicContact CE1-CB 3.91Å; Y135-E147 HydrophobicContact CE1-CG 3.68Å; Y135-E147 PolarHBondContact OH-OE2 3.47Å; Y135-I166 HydrophobicContact CD1-CD1 4.5Å; Y135-I166 HydrophobicContact CE1-CD1 4.1Å; Y135-V179 HydrophobicContact CD2-CB 4.15Å; Y135-V179 HydrophobicContact CD2-CG1 3.89Å; Y135-V179 HydrophobicContact CD2-CG2 3.87Å; Y135-V179 HydrophobicContact CE2-CB 4.47Å; Y135-V179 HydrophobicContact CE2-CG1 3.72Å; Y135-V179 HydrophobicContact CE2-CG2 4.48Å; Y135-V179 HydrophobicContact CG-CG2 4Å; Y135-L202 HydrophobicContact CE1-CD1 3.78Å; Y135-L202 HydrophobicContact CE1-CD2 4.11Å; Y135-L202 HydrophobicContact CE2-CD1 4.37Å
136V97.8Very high95.8Very high3 Ų332.9 Ų32.92%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-124.1124.3-179.6171.80000109.8W125 L134 Y146 F148 F154 W343W125-V136 HydrophobicContact CB-CG2 4.02Å; L134-V136 HydrophobicContact CD2-CG2 4.44Å; V136-Y146 PolarHBondContact N-O 3.48Å; V136-Y146 PolarHBondContact O-N 2.69Å; V136-F148 HydrophobicContact CB-CE2 4.46Å; V136-F148 HydrophobicContact CG2-CD2 4.34Å; V136-F148 HydrophobicContact CG2-CE2 4.05Å; V136-F154 HydrophobicContact CG2-CD2 4.39Å; V136-F154 HydrophobicContact CG2-CE2 4Å; V136-F154 HydrophobicContact CG2-CZ 4.46Å; V136-W343 HydrophobicContact CG1-CH2 3.93Å; V136-W343 HydrophobicContact CG1-CZ3 3.8Å
137F97.5Very high95.8Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-111.6109.7176.2-59.6-108.9000107.6G123 M124 V145 W172 L184G123-F137 WeakPolarHBondContact CA-O 3.03Å; M124-F137 HydrophobicContact CE-CD2 3.99Å; M124-F137 HydrophobicContact CE-CE2 4.14Å; M124-F137 HydrophobicContact CG-CB 3.53Å; M124-F137 HydrophobicContact CG-CD2 3.72Å; M124-F137 HydrophobicContact CG-CG 3.74Å; M124-F137 PolarHBondContact N-O 2.77Å; M124-F137 PolarHBondContact O-N 2.92Å; M124-F137 HydrophobicContact SD-CD2 4.03Å; M124-F137 HydrophobicContact SD-CG 4.16Å; F137-V145 HydrophobicContact CD1-CG1 4.37Å; F137-V145 HydrophobicContact CD1-CG2 3.71Å; F137-V145 HydrophobicContact CD2-CG1 4.19Å; F137-V145 HydrophobicContact CE1-CB 4.22Å; F137-V145 HydrophobicContact CE1-CG1 3.93Å; F137-V145 HydrophobicContact CE1-CG2 3.23Å; F137-V145 HydrophobicContact CE2-CG1 3.7Å; F137-V145 HydrophobicContact CG-CG1 4.47Å; F137-V145 HydrophobicContact CZ-CB 4.27Å; F137-V145 HydrophobicContact CZ-CG1 3.52Å; F137-V145 HydrophobicContact CZ-CG2 3.69Å; F137-W172 HydrophobicContact CB-CZ2 4.32Å; F137-W172 AromaticContact CD1-CD2 3.97Å; F137-W172 HydrophobicContact CD1-CD2 3.97Å; F137-W172 AromaticContact CD1-CE3 3.97Å; F137-W172 HydrophobicContact CD1-CE3 3.97Å; F137-W172 HydrophobicContact CD1-CG 4.45Å; F137-W172 HydrophobicContact CD1-CZ3 4.27Å; F137-W172 HydrophobicContact CE1-CE3 4.46Å; F137-L184 HydrophobicContact CE1-CD1 3.94Å; F137-L184 HydrophobicContact CE1-CD2 4.02Å; F137-L184 HydrophobicContact CE2-CD1 4.45Å; F137-L184 HydrophobicContact CZ-CD1 3.43Å; F137-L184 VanDerWaalsContact CZ-CD1 3.43Å; F137-L184 HydrophobicContact CZ-CD2 3.86Å; F137-L184 HydrophobicContact CZ-CG 4.31Å
138N96.4Very high95.9Very high54 Ų5431.1 Ų31.129%0.28918%0.175SC..EExtended strand (participates in β ladder)trans-92.7118.2-176.2-176.824.5000110.6G119 S120 Y146G119-N138 WeakPolarHBondContact CA-OD1 3.33Å; S120-N138 WeakPolarHBondContact CB-OD1 3.41Å; S120-N138 PolarHBondContact N-OD1 2.99Å; S120-N138 PolarHBondContact OG-OD1 2.87Å; N138-Y146 HydrophobicContact CB-CE2 4.49Å
139G96.2Very high96Very high9 Ų938.5 Ų38.59%0.09321%0.207CC..SBendtrans94.2-177.7-178.800000113.8K122K122-G139 CarbonylContact O-C 3.55Å; K122-G139 WeakPolarHBondContact O-CA 3.18Å; K122-G139 PolarHBondContact O-N 2.83Å
140T95.4Very high96.1Very high47 Ų4739.3 Ų39.329%0.28821%0.213SC..SBendtrans-95.9-6.5178.8540000112.9K122 G174 E227K122-T140 HydrophobicContact CB-CG2 3.66Å; K122-T140 HydrophobicContact CD-CG2 3.88Å; K122-T140 HydrophobicContact CG-CG2 4.4Å; T140-G174 WeakPolarHBondContact O-CA 3.45Å; T140-G174 PolarHBondContact O-N 2.53Å; T140-E227 HydrophobicContact CG2-CB 3.82Å; T140-E227 HydrophobicContact CG2-CG 3.98Å
141S95.4Very high96.3Very high62 Ų6235 Ų3543%0.43420%0.197SC..EExtended strand (participates in β ladder)trans-157.1146.8170.8-176.20000110.1W172S141-W172 VanDerWaalsContact CA-O 3.25Å; S141-W172 WeakPolarHBondContact CA-O 3.45Å; S141-W172 WeakPolarHBondContact CB-O 3.27Å; S141-W172 PolarHBondContact OG-O 2.92Å
142G95.8Very high96.3Very high16 Ų1643 Ų4317%0.16522%0.221CC..EExtended strand (participates in β ladder)trans173-179.6178.300000111K171 W172G142-K171 CarbonylContact O-C 3.48Å; G142-K171 WeakPolarHBondContact O-CA 3.4Å; G142-K171 WeakPolarHBondContact O-CB 3.4Å; G142-W172 VanDerWaalsContact C-CH2 3.44Å; G142-W172 VanDerWaalsContact CA-CH2 3.46Å; G142-W172 VanDerWaalsContact CA-CZ2 3.5Å; G142-W172 VanDerWaalsContact N-CE2 3.33Å; G142-W172 VanDerWaalsContact O-CZ3 3.27Å; G142-W172 WeakPolarHBondContact O-CZ3 3.28Å; G142-W172 PolarHBondContact O-N 2.93Å
143D96.5Very high96.5Very high70 Ų7043.3 Ų43.337%0.37422%0.218SC..EExtended strand (participates in β ladder)trans-125.3-1.6177.556.511.1000112.5H167 L168 K171 W172D143-H167 CarbonylContact O-C 3.42Å; D143-H167 WeakPolarHBondContact O-CA 3.4Å; D143-L168 PolarHBondContact O-N 3.29Å; D143-K171 HydrophobicContact CB-CG 4.3Å; D143-W172 VanDerWaalsContact N-CZ3 3.33Å
144T97Very high96.4Very high28 Ų2839.9 Ų39.917%0.17220%0.204CC..EExtended strand (participates in β ladder)trans-112.4118-177-59.20000112.6Y146 M165 I166 W172T144-Y146 HydrophobicContact CG2-CE1 4.28Å; T144-Y146 HydrophobicContact CG2-CE2 4.48Å; T144-M165 HydrophobicContact CG2-CB 4.27Å; T144-M165 HydrophobicContact CG2-CG 4.36Å; T144-I166 WeakPolarHBondContact CA-O 3.3Å; T144-W172 WeakPolarHBondContact O-CH2 3.46Å; T144-W172 WeakPolarHBondContact O-CZ3 3.45Å
145V97.8Very high96.3Very high0 Ų042.5 Ų42.50%022%0.222CC..EExtended strand (participates in β ladder)trans-105.3135.9175-173.70000109.7Y135 F137 I166 L168 W172 L184Y135-V145 HydrophobicContact CD1-CG1 4.23Å; F137-V145 HydrophobicContact CD1-CG1 4.37Å; F137-V145 HydrophobicContact CD1-CG2 3.71Å; F137-V145 HydrophobicContact CD2-CG1 4.19Å; F137-V145 HydrophobicContact CE1-CB 4.22Å; F137-V145 HydrophobicContact CE1-CG1 3.93Å; F137-V145 HydrophobicContact CE1-CG2 3.23Å; F137-V145 HydrophobicContact CE2-CG1 3.7Å; F137-V145 HydrophobicContact CG-CG1 4.47Å; F137-V145 HydrophobicContact CZ-CB 4.27Å; F137-V145 HydrophobicContact CZ-CG1 3.52Å; F137-V145 HydrophobicContact CZ-CG2 3.69Å; V145-I166 HydrophobicContact CB-CB 4.34Å; V145-I166 PolarHBondContact N-O 2.92Å; V145-I166 PolarHBondContact O-N 2.66Å; V145-L168 HydrophobicContact CG2-CD1 3.94Å; V145-L168 HydrophobicContact CG2-CD2 4.2Å; V145-L168 HydrophobicContact CG2-CG 4.06Å; V145-W172 HydrophobicContact CG2-CE3 4.39Å; V145-W172 HydrophobicContact CG2-CZ3 4.07Å; V145-L184 HydrophobicContact CG2-CD2 4.11Å
146Y97.6Very high96.1Very high46 Ų4647.3 Ų47.318%0.1825%0.252CS..EExtended strand (participates in β ladder)trans-98.5115177.7-57.8-83.4000110.6Y135 V136 N138 T144 V160 S163 M165Y135-Y146 CarbonylContact C-O 3.53Å; Y135-Y146 WeakPolarHBondContact CA-O 3.47Å; V136-Y146 PolarHBondContact N-O 3.48Å; V136-Y146 PolarHBondContact O-N 2.69Å; N138-Y146 HydrophobicContact CB-CE2 4.49Å; T144-Y146 HydrophobicContact CG2-CE1 4.28Å; T144-Y146 HydrophobicContact CG2-CE2 4.48Å; Y146-V160 HydrophobicContact CD1-CB 3.88Å; Y146-V160 HydrophobicContact CD1-CG1 3.97Å; Y146-V160 HydrophobicContact CD1-CG2 4.34Å; Y146-V160 HydrophobicContact CD2-CG1 4.13Å; Y146-V160 HydrophobicContact CE1-CB 3.96Å; Y146-V160 HydrophobicContact CE1-CG1 4.03Å; Y146-V160 HydrophobicContact CE1-CG2 3.94Å; Y146-V160 HydrophobicContact CE2-CG1 4.21Å; Y146-V160 HydrophobicContact CG-CB 4.36Å; Y146-V160 HydrophobicContact CG-CG1 4.01Å; Y146-S163 WeakPolarHBondContact CD1-OG 3.37Å; Y146-M165 HydrophobicContact CD1-CG 3.93Å; Y146-M165 HydrophobicContact CE1-CG 3.85Å; Y146-M165 HydrophobicContact CE1-SD 4.15Å
147E97.9Very high95.9Very high16 Ų1648.2 Ų48.28%0.07526%0.258CS..EExtended strand (participates in β ladder)trans-93.5126.4175.1179.3-17084.400110.3K133 L134 Y135 S163 R164 I166K133-E147 HydrophobicContact CD-CG 4.31Å; K133-E147 WeakPolarHBondContact CD-OE2 3.11Å; K133-E147 IonicContact NZ-OE1 2.78Å; K133-E147 IonicContact NZ-OE2 2.8Å; K133-E147 PolarHBondContact NZ-OE2 2.78Å; L134-E147 CarbonylContact O-C 3.28Å; L134-E147 WeakPolarHBondContact O-CA 3.45Å; Y135-E147 HydrophobicContact CD1-CB 4.11Å; Y135-E147 HydrophobicContact CD1-CG 4.28Å; Y135-E147 HydrophobicContact CE1-CB 3.91Å; Y135-E147 HydrophobicContact CE1-CG 3.68Å; Y135-E147 PolarHBondContact OH-OE2 3.47Å; E147-S163 CarbonylContact O-C 3.56Å; E147-S163 WeakPolarHBondContact O-CA 3.33Å; E147-S163 WeakPolarHBondContact O-CB 3.41Å; E147-R164 HydrophobicContact CB-CB 4.27Å; E147-R164 PolarHBondContact N-O 2.88Å; E147-R164 PolarHBondContact O-N 2.85Å; E147-R164 WeakPolarHBondContact OE1-CD 3.45Å; E147-R164 IonicContact OE1-NH1 3.73Å; E147-R164 IonicContact OE2-NH1 3.38Å; E147-I166 HydrophobicContact CB-CD1 3.9Å; E147-I166 HydrophobicContact CB-CG1 4.41Å
148F97.4Very high95.7Very high3 Ų355.8 Ų55.81%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-112.3148.4169-62.3-96.4000109.8K133 L134 V136 S150 F154K133-F148 VanDerWaalsContact CA-O 3.32Å; K133-F148 WeakPolarHBondContact CA-O 3.35Å; L134-F148 HydrophobicContact CB-CB 4.3Å; L134-F148 HydrophobicContact CD2-CD2 4.43Å; L134-F148 PolarHBondContact N-O 2.99Å; L134-F148 PolarHBondContact O-N 3.28Å; V136-F148 HydrophobicContact CB-CE2 4.46Å; V136-F148 HydrophobicContact CG2-CD2 4.34Å; V136-F148 HydrophobicContact CG2-CE2 4.05Å; F148-S150 VanDerWaalsContact C-N 3.31Å; F148-S150 PolarHBondContact O-N 2.89Å; F148-F154 HydrophobicContact CB-CB 4.21Å; F148-F154 HydrophobicContact CD1-CB 4.08Å; F148-F154 HydrophobicContact CD1-CD2 4.23Å; F148-F154 HydrophobicContact CD2-CB 4.35Å; F148-F154 AromaticContact CD2-CD2 3.83Å; F148-F154 HydrophobicContact CD2-CD2 3.83Å; F148-F154 HydrophobicContact CD2-CG 4.48Å; F148-F154 AromaticContact CE1-CD2 3.98Å; F148-F154 HydrophobicContact CE1-CD2 3.98Å; F148-F154 AromaticContact CE2-CD2 3.55Å; F148-F154 HydrophobicContact CE2-CD2 3.55Å; F148-F154 HydrophobicContact CE2-CE2 4.09Å; F148-F154 HydrophobicContact CG-CB 3.96Å; F148-F154 HydrophobicContact CG-CD2 4.16Å; F148-F154 AromaticContact CZ-CD2 3.62Å; F148-F154 HydrophobicContact CZ-CD2 3.62Å; F148-F154 HydrophobicContact CZ-CE2 4.18Å
149K96.4Very high95.3Very high160 Ų16054.6 Ų54.670%0.69630%0.298SS*.SBendtrans-68.4-29.3-179.1-65.1178.7-178.5-179.90113.4S132 D153S132-K149 CarbonylContact C-O 3.58Å; S132-K149 PolarHBondContact OG-O 2.83Å; K149-D153 WeakPolarHBondContact CB-OD2 3.4Å
150S95.3Very high95Very high28 Ų2856.8 Ų56.820%0.19631%0.31CS..  trans-158162.5179.372.20000112.7S132 F148 R152 D153 F154S132-S150 WeakPolarHBondContact O-CA 3.36Å; F148-S150 VanDerWaalsContact C-N 3.31Å; F148-S150 PolarHBondContact O-N 2.89Å; S150-R152 PolarHBondContact O-N 3.48Å; S150-R152 PolarHBondContact OG-N 2.81Å; S150-D153 PolarHBondContact N-OD2 3.45Å; S150-D153 PolarHBondContact O-N 3.23Å; S150-D153 PolarHBondContact OG-N 2.93Å; S150-D153 PolarHBondContact OG-OD2 2.84Å; S150-F154 PolarHBondContact O-N 3.4Å; S150-F154 VanDerWaalsContact O-N 3.08Å
151V94.5Very high94.8Very high26 Ų2657.3 Ų57.316%0.15832%0.319CS..Hα-helixtrans-57.5-34.8170-179.40000111.5L115 L134 S155 I350L115-V151 HydrophobicContact CD1-CG1 3.48Å; L115-V151 VanDerWaalsContact CD1-CG1 3.48Å; L134-V151 HydrophobicContact CD1-CG2 4.41Å; V151-S155 WeakPolarHBondContact O-CB 3.33Å; V151-S155 PolarHBondContact O-N 3.4Å; V151-I350 HydrophobicContact CG1-CD1 4.22Å
152R94.6Very high94.5Very high198 Ų19858.3 Ų58.375%0.74734%0.339SS*.Hα-helixtrans-65.2-47.9176.8-177.2-179178.5-176.9-0.5111S150 F154 S155 T156S150-R152 PolarHBondContact O-N 3.48Å; S150-R152 PolarHBondContact OG-N 2.81Å; R152-F154 VanDerWaalsContact C-N 3.31Å; R152-F154 PolarHBondContact O-N 3.48Å; R152-S155 WeakPolarHBondContact O-CB 3.23Å; R152-S155 PolarHBondContact O-N 3.23Å; R152-S155 VanDerWaalsContact O-N 3.16Å; R152-T156 PolarHBondContact O-N 3.06Å; R152-T156 PolarHBondContact O-OG1 2.85Å; R152-T156 VanDerWaalsContact O-OG1 3.1Å
153D95.3Very high94.5Very high69 Ų6958.8 Ų58.837%0.36934%0.34SS..Hα-helixtrans-60.9-43.8179.8-62.1-44.8000110.9K149 S150 S155 T156 S157K149-D153 WeakPolarHBondContact CB-OD2 3.4Å; S150-D153 PolarHBondContact N-OD2 3.45Å; S150-D153 PolarHBondContact O-N 3.23Å; S150-D153 PolarHBondContact OG-N 2.93Å; S150-D153 PolarHBondContact OG-OD2 2.84Å; D153-S155 PolarHBondContact O-N 2.87Å; D153-T156 PolarHBondContact O-N 3.15Å; D153-T156 PolarHBondContact O-OG1 3.03Å; D153-T156 VanDerWaalsContact O-OG1 3.14Å; D153-S157 WeakPolarHBondContact O-CB 3.39Å; D153-S157 PolarHBondContact O-N 3.01Å
154F95.8Very high94.5Very high0 Ų061.4 Ų61.40%034%0.344CS..Hα-helixtrans-59.7-44.1173.7174-109.5000113L115 K116 I118 W125 L134 V136 F148 S150 R152 T156 S157 Q348L115-F154 HydrophobicContact CD1-CD1 4.28Å; K116-F154 HydrophobicContact CB-CE1 4.14Å; K116-F154 HydrophobicContact CB-CZ 4.23Å; K116-F154 HydrophobicContact CD-CE1 4.41Å; K116-F154 HydrophobicContact CD-CE2 4.35Å; K116-F154 HydrophobicContact CD-CZ 4.07Å; K116-F154 PolarHBondContact NZ-O 3.22Å; K116-F154 VanDerWaalsContact NZ-O 3.14Å; I118-F154 HydrophobicContact CG2-CE2 4.2Å; I118-F154 HydrophobicContact CG2-CZ 4.09Å; W125-F154 HydrophobicContact CE3-CE1 4.22Å; W125-F154 HydrophobicContact CZ3-CD1 4.23Å; W125-F154 HydrophobicContact CZ3-CE1 4.17Å; L134-F154 HydrophobicContact CD2-CB 3.46Å; L134-F154 VanDerWaalsContact CD2-CB 3.46Å; L134-F154 HydrophobicContact CD2-CD1 3.67Å; L134-F154 HydrophobicContact CD2-CD2 4.02Å; L134-F154 HydrophobicContact CD2-CE1 4.44Å; L134-F154 HydrophobicContact CD2-CG 3.42Å; L134-F154 VanDerWaalsContact CD2-CG 3.42Å; V136-F154 HydrophobicContact CG2-CD2 4.39Å; V136-F154 HydrophobicContact CG2-CE2 4Å; V136-F154 HydrophobicContact CG2-CZ 4.46Å; F148-F154 HydrophobicContact CB-CB 4.21Å; F148-F154 HydrophobicContact CD1-CB 4.08Å; F148-F154 HydrophobicContact CD1-CD2 4.23Å; F148-F154 HydrophobicContact CD2-CB 4.35Å; F148-F154 AromaticContact CD2-CD2 3.83Å; F148-F154 HydrophobicContact CD2-CD2 3.83Å; F148-F154 HydrophobicContact CD2-CG 4.48Å; F148-F154 AromaticContact CE1-CD2 3.98Å; F148-F154 HydrophobicContact CE1-CD2 3.98Å; F148-F154 AromaticContact CE2-CD2 3.55Å; F148-F154 HydrophobicContact CE2-CD2 3.55Å; F148-F154 HydrophobicContact CE2-CE2 4.09Å; F148-F154 HydrophobicContact CG-CB 3.96Å; F148-F154 HydrophobicContact CG-CD2 4.16Å; F148-F154 AromaticContact CZ-CD2 3.62Å; F148-F154 HydrophobicContact CZ-CD2 3.62Å; F148-F154 HydrophobicContact CZ-CE2 4.18Å; S150-F154 PolarHBondContact O-N 3.4Å; S150-F154 VanDerWaalsContact O-N 3.08Å; R152-F154 VanDerWaalsContact C-N 3.31Å; R152-F154 PolarHBondContact O-N 3.48Å; F154-T156 VanDerWaalsContact C-N 3.27Å; F154-T156 PolarHBondContact O-N 3.47Å; F154-S157 PolarHBondContact O-N 2.99Å; F154-S157 PolarHBondContact O-OG 3.3Å; F154-Q348 HydrophobicContact CE1-CB 3.99Å; F154-Q348 HydrophobicContact CE1-CG 4.03Å; F154-Q348 HydrophobicContact CZ-CB 4.24Å; F154-Q348 HydrophobicContact CZ-CG 3.79Å
155S94.1Very high94.5Very high54 Ų5465.6 Ų65.638%0.37836%0.364SS..Hα-helixtrans-63.8-33.9178.9-175.50000112.3V151 R152 D153V151-S155 WeakPolarHBondContact O-CB 3.33Å; V151-S155 PolarHBondContact O-N 3.4Å; R152-S155 WeakPolarHBondContact O-CB 3.23Å; R152-S155 PolarHBondContact O-N 3.23Å; R152-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 PolarHBondContact O-N 2.87Å
156T94.1Very high94.5Very high104 Ų10466.1 Ų66.164%0.63837%0.366SS*.Hα-helixtrans-91.7-13.5-178.256.20000114.4R152 D153 F154R152-T156 PolarHBondContact O-N 3.06Å; R152-T156 PolarHBondContact O-OG1 2.85Å; R152-T156 VanDerWaalsContact O-OG1 3.1Å; D153-T156 PolarHBondContact O-N 3.15Å; D153-T156 PolarHBondContact O-OG1 3.03Å; D153-T156 VanDerWaalsContact O-OG1 3.14Å; F154-T156 VanDerWaalsContact C-N 3.27Å; F154-T156 PolarHBondContact O-N 3.47Å
157S93.8Very high94.5Very high22 Ų2269.9 Ų69.915%0.15439%0.385CS..SBendtrans-66.8157-177.4650000112.2K116 D153 F154 G159 A161K116-S157 WeakPolarHBondContact CE-O 3.49Å; K116-S157 PolarHBondContact NZ-O 3.43Å; K116-S157 PolarHBondContact NZ-OG 3.25Å; D153-S157 WeakPolarHBondContact O-CB 3.39Å; D153-S157 PolarHBondContact O-N 3.01Å; F154-S157 PolarHBondContact O-N 2.99Å; F154-S157 PolarHBondContact O-OG 3.3Å; S157-G159 PolarHBondContact OG-O 2.83Å; S157-G159 VanDerWaalsContact OG-O 3.07Å; S157-A161 VanDerWaalsContact CB-O 3.24Å; S157-A161 WeakPolarHBondContact CB-O 3.28Å
158L91.6Very high94.5Very high159 Ų15969.6 Ų69.683%0.83238%0.384SS*.SBendtrans-93.7107.9167.3-17467.5000108.8V160 A161L158-V160 PolarHBondContact O-N 3.36Å; L158-A161 WeakPolarHBondContact O-CB 3.24Å; L158-A161 PolarHBondContact O-N 2.91Å
159G88.9Confident94.4Very high29 Ų2973.8 Ų73.830%0.29941%0.412SS..THydrogen-bonded Turntrans59.7-127.8-172.300000111.6K116 I118 S157K116-G159 PolarHBondContact NZ-O 3.34Å; K116-G159 VanDerWaalsContact NZ-O 3.16Å; I118-G159 VanDerWaalsContact CD1-CA 3.4Å; I118-G159 VanDerWaalsContact CD1-O 3.32Å; I118-G159 WeakPolarHBondContact CD1-O 3.43Å; S157-G159 PolarHBondContact OG-O 2.83Å; S157-G159 VanDerWaalsContact OG-O 3.07Å
160V90.4Very high94.3Very high56 Ų5667.5 Ų67.534%0.33939%0.388SS..THydrogen-bonded Turntrans-93.17.6176.2-63.70000113.4I118 Y146 L158 S163I118-V160 HydrophobicContact CD1-CB 4.46Å; I118-V160 HydrophobicContact CD1-CG1 3.54Å; Y146-V160 HydrophobicContact CD1-CB 3.88Å; Y146-V160 HydrophobicContact CD1-CG1 3.97Å; Y146-V160 HydrophobicContact CD1-CG2 4.34Å; Y146-V160 HydrophobicContact CD2-CG1 4.13Å; Y146-V160 HydrophobicContact CE1-CB 3.96Å; Y146-V160 HydrophobicContact CE1-CG1 4.03Å; Y146-V160 HydrophobicContact CE1-CG2 3.94Å; Y146-V160 HydrophobicContact CE2-CG1 4.21Å; Y146-V160 HydrophobicContact CG-CB 4.36Å; Y146-V160 HydrophobicContact CG-CG1 4.01Å; L158-V160 PolarHBondContact O-N 3.36Å; V160-S163 WeakPolarHBondContact O-CB 3.07Å; V160-S163 PolarHBondContact O-N 3.24Å; V160-S163 PolarHBondContact O-OG 2.92Å
161A91.5Very high94.3Very high58 Ų5872.2 Ų72.248%0.47941%0.405SS..THydrogen-bonded Turntrans-60.7140.2-179.600000111.8S157 L158 S163S157-A161 VanDerWaalsContact CB-O 3.24Å; S157-A161 WeakPolarHBondContact CB-O 3.28Å; L158-A161 WeakPolarHBondContact O-CB 3.24Å; L158-A161 PolarHBondContact O-N 2.91Å; A161-S163 PolarHBondContact O-N 2.88Å
162G88.6Confident94.4Very high83 Ų8371.2 Ų71.286%0.85640%0.398SS*.THydrogen-bonded Turntrans78.41.4-178.600000114.9
163S95.9Very high94.4Very high26 Ų2663 Ų6318%0.18237%0.37CS..PPolyproline II helixtrans-79.9153167.964.80000111.9Y146 E147 V160 A161Y146-S163 WeakPolarHBondContact CD1-OG 3.37Å; E147-S163 CarbonylContact O-C 3.56Å; E147-S163 WeakPolarHBondContact O-CA 3.33Å; E147-S163 WeakPolarHBondContact O-CB 3.41Å; V160-S163 WeakPolarHBondContact O-CB 3.07Å; V160-S163 PolarHBondContact O-N 3.24Å; V160-S163 PolarHBondContact O-OG 2.92Å; A161-S163 PolarHBondContact O-N 2.88Å
164R96.9Very high94.3Very high124 Ų12459.7 Ų59.747%0.46835%0.353SS..EExtended strand (participates in β ladder)trans-87.8126.4162.8175.1-174.5176.6-150.90.1107.8E147E147-R164 HydrophobicContact CB-CB 4.27Å; E147-R164 PolarHBondContact N-O 2.88Å; E147-R164 PolarHBondContact O-N 2.85Å; E147-R164 WeakPolarHBondContact OE1-CD 3.45Å; E147-R164 IonicContact OE1-NH1 3.73Å; E147-R164 IonicContact OE2-NH1 3.38Å
165M96.9Very high94.3Very high117 Ų11759.9 Ų59.958%0.57635%0.354SS*.EExtended strand (participates in β ladder)trans-81.9127.4172.3-65.8-178.3-68.100109.4T144 Y146T144-M165 HydrophobicContact CG2-CB 4.27Å; T144-M165 HydrophobicContact CG2-CG 4.36Å; Y146-M165 HydrophobicContact CD1-CG 3.93Å; Y146-M165 HydrophobicContact CE1-CG 3.85Å; Y146-M165 HydrophobicContact CE1-SD 4.15Å
166I97.6Very high94.4Very high11 Ų1157.3 Ų57.36%0.05634%0.336CS..EExtended strand (participates in β ladder)trans-108.7125.9173.4-59177.8000106.5Y135 T144 V145 E147 L168 F200 L202Y135-I166 HydrophobicContact CD1-CD1 4.5Å; Y135-I166 HydrophobicContact CE1-CD1 4.1Å; T144-I166 WeakPolarHBondContact CA-O 3.3Å; V145-I166 HydrophobicContact CB-CB 4.34Å; V145-I166 PolarHBondContact N-O 2.92Å; V145-I166 PolarHBondContact O-N 2.66Å; E147-I166 HydrophobicContact CB-CD1 3.9Å; E147-I166 HydrophobicContact CB-CG1 4.41Å; I166-L168 HydrophobicContact CG2-CD2 4.28Å; I166-F200 HydrophobicContact CG2-CE1 3.75Å; I166-F200 HydrophobicContact CG2-CZ 4.2Å; I166-L202 HydrophobicContact CD1-CD2 3.71Å; I166-L202 HydrophobicContact CG2-CD2 4.49Å
167H97.4Very high94.5Very high124 Ų12452.3 Ų52.357%0.57431%0.305SS*.EExtended strand (participates in β ladder)trans-102.1120.2177.4-670.8000108.7D143D143-H167 CarbonylContact O-C 3.42Å; D143-H167 WeakPolarHBondContact O-CA 3.4Å
168L97.1Very high94.7Very high10 Ų1051.5 Ų51.55%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-81.4146.2175.8-53.4-174.7000109.3D143 V145 I166 S170 W172 L184 Y186 F200D143-L168 PolarHBondContact O-N 3.29Å; V145-L168 HydrophobicContact CG2-CD1 3.94Å; V145-L168 HydrophobicContact CG2-CD2 4.2Å; V145-L168 HydrophobicContact CG2-CG 4.06Å; I166-L168 HydrophobicContact CG2-CD2 4.28Å; L168-S170 VanDerWaalsContact C-N 3.26Å; L168-S170 WeakPolarHBondContact CB-O 3.46Å; L168-S170 PolarHBondContact O-N 2.87Å; L168-W172 HydrophobicContact CD1-CE3 3.82Å; L168-W172 HydrophobicContact CD1-CZ3 4.44Å; L168-L184 HydrophobicContact CD1-CD2 4.1Å; L168-L184 HydrophobicContact CD2-CD2 3.61Å; L168-L184 HydrophobicContact CG-CD2 4.49Å; L168-Y186 HydrophobicContact CD1-CD1 4.11Å; L168-Y186 HydrophobicContact CD1-CD2 4.32Å; L168-Y186 HydrophobicContact CD1-CE1 4.05Å; L168-Y186 HydrophobicContact CD1-CE2 4.28Å; L168-Y186 HydrophobicContact CD1-CG 4.22Å; L168-Y186 HydrophobicContact CD2-CE1 4.5Å; L168-F200 HydrophobicContact CD2-CD1 4.04Å; L168-F200 HydrophobicContact CD2-CD2 4.48Å; L168-F200 HydrophobicContact CD2-CE1 4.11Å; L168-F200 HydrophobicContact CD2-CG 4.22Å; L168-F200 HydrophobicContact CD2-CZ 4.34Å
169P95.1Very high95Very high92 Ų9244 Ų4460%0.59726%0.261SS*.EExtended strand (participates in β ladder)trans-72-22.4179.324.5-28.2000113F200 V207P169-F200 HydrophobicContact CG-CD2 4.43Å; P169-F200 HydrophobicContact CG-CE2 4.41Å; P169-V207 HydrophobicContact CG-CG2 3.44Å; P169-V207 VanDerWaalsContact CG-CG2 3.44Å
170S94.6Very high95.3Very high27 Ų2744.8 Ų44.819%0.18926%0.255CS..EExtended strand (participates in β ladder)trans-133.2157.1173.665.60000110.5L168 Y186 N188L168-S170 VanDerWaalsContact C-N 3.26Å; L168-S170 WeakPolarHBondContact CB-O 3.46Å; L168-S170 PolarHBondContact O-N 2.87Å; S170-Y186 WeakPolarHBondContact OG-CE2 3.38Å; S170-Y186 PolarHBondContact OG-OH 2.98Å; S170-N188 WeakPolarHBondContact CB-ND2 3.33Å; S170-N188 PolarHBondContact OG-ND2 3.3Å
171K95.4Very high95.4Very high127 Ų12746.7 Ų46.755%0.55226%0.263SS*.EExtended strand (participates in β ladder)trans-73.3141-178.4-66179.5-178.2177.10110.9G142 D143 N188G142-K171 CarbonylContact O-C 3.48Å; G142-K171 WeakPolarHBondContact O-CA 3.4Å; G142-K171 WeakPolarHBondContact O-CB 3.4Å; D143-K171 HydrophobicContact CB-CG 4.3Å; K171-N188 PolarHBondContact O-ND2 3.11Å
172W96Very high95.6Very high5 Ų545.1 Ų45.12%0.01925%0.253CS..EExtended strand (participates in β ladder)trans-75.6154.8165.473.584.5000110.8F137 S141 G142 D143 T144 V145 L168 Y186 I187F137-W172 HydrophobicContact CB-CZ2 4.32Å; F137-W172 AromaticContact CD1-CD2 3.97Å; F137-W172 HydrophobicContact CD1-CD2 3.97Å; F137-W172 AromaticContact CD1-CE3 3.97Å; F137-W172 HydrophobicContact CD1-CE3 3.97Å; F137-W172 HydrophobicContact CD1-CG 4.45Å; F137-W172 HydrophobicContact CD1-CZ3 4.27Å; F137-W172 HydrophobicContact CE1-CE3 4.46Å; S141-W172 VanDerWaalsContact CA-O 3.25Å; S141-W172 WeakPolarHBondContact CA-O 3.45Å; S141-W172 WeakPolarHBondContact CB-O 3.27Å; S141-W172 PolarHBondContact OG-O 2.92Å; G142-W172 VanDerWaalsContact C-CH2 3.44Å; G142-W172 VanDerWaalsContact CA-CH2 3.46Å; G142-W172 VanDerWaalsContact CA-CZ2 3.5Å; G142-W172 VanDerWaalsContact N-CE2 3.33Å; G142-W172 VanDerWaalsContact O-CZ3 3.27Å; G142-W172 WeakPolarHBondContact O-CZ3 3.28Å; G142-W172 PolarHBondContact O-N 2.93Å; D143-W172 VanDerWaalsContact N-CZ3 3.33Å; T144-W172 WeakPolarHBondContact O-CH2 3.46Å; T144-W172 WeakPolarHBondContact O-CZ3 3.45Å; V145-W172 HydrophobicContact CG2-CE3 4.39Å; V145-W172 HydrophobicContact CG2-CZ3 4.07Å; L168-W172 HydrophobicContact CD1-CE3 3.82Å; L168-W172 HydrophobicContact CD1-CZ3 4.44Å; W172-Y186 HydrophobicContact CB-CD2 3.9Å; W172-Y186 HydrophobicContact CB-CG 4.45Å; W172-I187 CarbonylContact C-O 3.54Å; W172-I187 VanDerWaalsContact CA-O 3.26Å; W172-I187 WeakPolarHBondContact CA-O 3.46Å
173T94.9Very high96Very high25 Ų2544.6 Ų44.615%0.15323%0.225CC..EExtended strand (participates in β ladder)trans-123.9123175-600000109.2I187 Q189 V229T173-I187 PolarHBondContact N-O 3.22Å; T173-Q189 HydrophobicContact CG2-CB 4.2Å; T173-Q189 PolarHBondContact OG1-N 2.79Å; T173-Q189 PolarHBondContact OG1-O 3.08Å; T173-V229 HydrophobicContact CG2-CG2 4.29Å
174G94.5Very high96.1Very high1 Ų143.3 Ų43.31%0.0122%0.217CC..SBendtrans73.6163.1-178.100000114.5T140 G176 E227T140-G174 WeakPolarHBondContact O-CA 3.45Å; T140-G174 PolarHBondContact O-N 2.53Å; G174-G176 PolarHBondContact O-N 2.91Å; G174-G176 VanDerWaalsContact O-N 3.1Å; G174-E227 WeakPolarHBondContact CA-O 3.32Å
175P95.2Very high96.2Very high3 Ų337.6 Ų37.62%0.01920%0.195CC..SBendtrans-81.235.9174.336.9-37.8000113G123 M124 T228 A329G123-P175 WeakPolarHBondContact O-CB 3.2Å; M124-P175 HydrophobicContact CB-CB 4.04Å; M124-P175 HydrophobicContact CG-CB 4.38Å; P175-T228 WeakPolarHBondContact CD-OG1 3.38Å; P175-A329 WeakPolarHBondContact CG-O 3.34Å
176G95.5Very high96.2Very high0 Ų032 Ų320%017%0.168CC..  trans-102.617.1-172.300000115.5G174 D231 L232G174-G176 PolarHBondContact O-N 2.91Å; G174-G176 VanDerWaalsContact O-N 3.1Å; G176-D231 VanDerWaalsContact CA-OD1 3.31Å; G176-D231 WeakPolarHBondContact CA-OD1 3.26Å; G176-L232 WeakPolarHBondContact O-CB 3.33Å; G176-L232 PolarHBondContact O-N 3.12Å
177S97.3Very high96.1Very high0 Ų031.5 Ų31.50%017%0.165CC..  trans-81.4166.1-178.3-50.90000112.3M124 Y185 Y186 K332M124-S177 WeakPolarHBondContact CE-O 3.41Å; M124-S177 WeakPolarHBondContact SD-CB 3.31Å; M124-S177 PolarHBondContact SD-N 3.48Å; S177-Y185 CarbonylContact C-O 3.55Å; S177-Y185 WeakPolarHBondContact CA-O 3.47Å; S177-Y185 VanDerWaalsContact CB-O 3.3Å; S177-Y185 WeakPolarHBondContact CB-O 3.39Å; S177-Y186 VanDerWaalsContact OG-CB 3.29Å; S177-Y186 WeakPolarHBondContact OG-CB 3.32Å; S177-K332 VanDerWaalsContact O-CE 3.24Å; S177-K332 WeakPolarHBondContact O-CE 3.27Å; S177-K332 PolarHBondContact O-NZ 2.91Å
178A97.3Very high95.9Very high4 Ų426 Ų263%0.03314%0.14CC..EExtended strand (participates in β ladder)trans-141.3155.117500000111.2L184 Y185 L232 V234A178-L184 WeakPolarHBondContact O-CD1 3.45Å; A178-Y185 PolarHBondContact N-O 3.06Å; A178-Y185 PolarHBondContact O-N 2.77Å; A178-L232 HydrophobicContact CB-CB 3.77Å; A178-V234 HydrophobicContact CB-CG2 3.82Å
179V97.1Very high95.5Very high3 Ų327.4 Ų27.42%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-125.9127.4173.9-178.90000108.4T126 D128 Y135 Y183 L184 L202T126-V179 HydrophobicContact CG2-CB 4.01Å; T126-V179 HydrophobicContact CG2-CG2 3.82Å; D128-V179 HydrophobicContact CB-CG1 3.8Å; Y135-V179 HydrophobicContact CD2-CB 4.15Å; Y135-V179 HydrophobicContact CD2-CG1 3.89Å; Y135-V179 HydrophobicContact CD2-CG2 3.87Å; Y135-V179 HydrophobicContact CE2-CB 4.47Å; Y135-V179 HydrophobicContact CE2-CG1 3.72Å; Y135-V179 HydrophobicContact CE2-CG2 4.48Å; Y135-V179 HydrophobicContact CG-CG2 4Å; V179-Y183 CarbonylContact C-O 3.58Å; V179-Y183 WeakPolarHBondContact CA-O 3.42Å; V179-Y183 WeakPolarHBondContact CG1-O 3.39Å; V179-L184 HydrophobicContact CG2-CB 4.41Å; V179-L184 HydrophobicContact CG2-CD1 3.93Å; V179-L202 HydrophobicContact CG1-CD1 3.75Å
180Y95.2Very high94.8Very high44 Ų4428.9 Ų28.917%0.17315%0.145CC..EExtended strand (participates in β ladder)trans-146.3127.7179.6-177.7-122.1000110.9P129 G182 Y183 V234 T259P129-Y180 HydrophobicContact CG-CD2 4.28Å; Y180-G182 VanDerWaalsContact C-N 3.32Å; Y180-G182 PolarHBondContact O-N 2.87Å; Y180-Y183 PolarHBondContact N-O 2.79Å; Y180-Y183 PolarHBondContact O-N 2.87Å; Y180-V234 HydrophobicContact CD2-CG1 3.4Å; Y180-V234 VanDerWaalsContact CD2-CG1 3.4Å; Y180-V234 HydrophobicContact CE2-CG1 3.96Å; Y180-V234 HydrophobicContact CG-CG1 3.73Å; Y180-V234 HydrophobicContact CG-CG2 4.46Å; Y180-T259 HydrophobicContact CD1-CG2 4.25Å; Y180-T259 HydrophobicContact CE1-CG2 4.17Å
181N93.8Very high93.7Very high96 Ų9633.9 Ų33.951%0.51318%0.175SC..THydrogen-bonded Turntrans5444.8171.3-164.427.4000113.5D128 K130 Y183D128-N181 PolarHBondContact OD1-N 3.14Å; K130-N181 HydrophobicContact CG-CB 4.4Å; N181-Y183 VanDerWaalsContact C-N 3.25Å; N181-Y183 WeakPolarHBondContact O-CD2 3.26Å; N181-Y183 PolarHBondContact O-N 2.93Å
182G95.5Very high92.4Very high26 Ų2635 Ų3527%0.26819%0.186SC..THydrogen-bonded Turntrans76.22.1-178.800000116D128 Y180 L202D128-G182 PolarHBondContact OD2-N 3.12Å; Y180-G182 VanDerWaalsContact C-N 3.32Å; Y180-G182 PolarHBondContact O-N 2.87Å; G182-L202 VanDerWaalsContact O-CB 3.26Å; G182-L202 WeakPolarHBondContact O-CB 3.49Å; G182-L202 WeakPolarHBondContact O-CG 3.44Å; G182-L202 PolarHBondContact O-N 3.01Å; G182-L202 VanDerWaalsContact O-N 3.1Å
183Y97.4Very high91.4Very high71 Ų7135.8 Ų35.828%0.27819%0.194SC..EExtended strand (participates in β ladder)trans-107.3140.6172.4-64.5-85.8000111.2V179 Y180 N181 K199 F200 D201 T208V179-Y183 CarbonylContact C-O 3.58Å; V179-Y183 WeakPolarHBondContact CA-O 3.42Å; V179-Y183 WeakPolarHBondContact CG1-O 3.39Å; Y180-Y183 PolarHBondContact N-O 2.79Å; Y180-Y183 PolarHBondContact O-N 2.87Å; N181-Y183 VanDerWaalsContact C-N 3.25Å; N181-Y183 WeakPolarHBondContact O-CD2 3.26Å; N181-Y183 PolarHBondContact O-N 2.93Å; Y183-K199 HydrophobicContact CD1-CD 4.34Å; Y183-K199 VanDerWaalsContact CD1-CE 3.48Å; Y183-K199 HydrophobicContact CD1-CG 3.95Å; Y183-K199 HydrophobicContact CG-CG 4.39Å; Y183-F200 WeakPolarHBondContact CA-O 3.27Å; Y183-D201 HydrophobicContact CD1-CB 3.97Å; Y183-D201 HydrophobicContact CE1-CB 3.71Å; Y183-T208 HydrophobicContact CE1-CG2 4.17Å
184L97.8Very high91Very high0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-99.9123.4168.1164.158.7000108.8F137 V145 L168 A178 V179 Y186 F200 L202F137-L184 HydrophobicContact CE1-CD1 3.94Å; F137-L184 HydrophobicContact CE1-CD2 4.02Å; F137-L184 HydrophobicContact CE2-CD1 4.45Å; F137-L184 HydrophobicContact CZ-CD1 3.43Å; F137-L184 VanDerWaalsContact CZ-CD1 3.43Å; F137-L184 HydrophobicContact CZ-CD2 3.86Å; F137-L184 HydrophobicContact CZ-CG 4.31Å; V145-L184 HydrophobicContact CG2-CD2 4.11Å; L168-L184 HydrophobicContact CD1-CD2 4.1Å; L168-L184 HydrophobicContact CD2-CD2 3.61Å; L168-L184 HydrophobicContact CG-CD2 4.49Å; A178-L184 WeakPolarHBondContact O-CD1 3.45Å; V179-L184 HydrophobicContact CG2-CB 4.41Å; V179-L184 HydrophobicContact CG2-CD1 3.93Å; L184-Y186 HydrophobicContact CD2-CD1 4.34Å; L184-Y186 HydrophobicContact CG-CD1 4.09Å; L184-F200 HydrophobicContact CB-CB 4.36Å; L184-F200 PolarHBondContact N-O 2.91Å; L184-F200 PolarHBondContact O-N 3.1Å; L184-L202 HydrophobicContact CB-CD1 4.22Å; L184-L202 HydrophobicContact CB-CD2 3.87Å; L184-L202 HydrophobicContact CB-CG 4.07Å; L184-L202 HydrophobicContact CD2-CD2 4.41Å
185Y97.9Very high90.7Very high3 Ų337.4 Ų37.41%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-104.3118.5171.9-56.3-94.7000107.8S177 A178 V198 K199 L232 L239 T259 L262S177-Y185 CarbonylContact C-O 3.55Å; S177-Y185 WeakPolarHBondContact CA-O 3.47Å; S177-Y185 VanDerWaalsContact CB-O 3.3Å; S177-Y185 WeakPolarHBondContact CB-O 3.39Å; A178-Y185 PolarHBondContact N-O 3.06Å; A178-Y185 PolarHBondContact O-N 2.77Å; Y185-V198 WeakPolarHBondContact CA-O 3.49Å; Y185-K199 HydrophobicContact CD1-CB 4.1Å; Y185-K199 HydrophobicContact CD1-CG 4.12Å; Y185-K199 HydrophobicContact CE1-CB 4.05Å; Y185-K199 HydrophobicContact CE1-CD 3.85Å; Y185-K199 HydrophobicContact CE1-CG 3.64Å; Y185-L232 WeakPolarHBondContact O-CD1 3.38Å; Y185-L239 HydrophobicContact CD1-CD2 3.52Å; Y185-L239 HydrophobicContact CD2-CD1 4.35Å; Y185-L239 HydrophobicContact CD2-CD2 4.5Å; Y185-L239 HydrophobicContact CE1-CD2 3.6Å; Y185-L239 HydrophobicContact CG-CD1 4.27Å; Y185-L239 HydrophobicContact CG-CD2 3.99Å; Y185-T259 PolarHBondContact OH-O 3.39Å; Y185-L262 HydrophobicContact CD1-CD2 3.67Å; Y185-L262 HydrophobicContact CE1-CD2 3.58Å
186Y97.4Very high90.6Very high0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-133.6150.2-179.870-85.5000111.8L168 S170 W172 S177 L184 N188 V198 F200L168-Y186 HydrophobicContact CD1-CD1 4.11Å; L168-Y186 HydrophobicContact CD1-CD2 4.32Å; L168-Y186 HydrophobicContact CD1-CE1 4.05Å; L168-Y186 HydrophobicContact CD1-CE2 4.28Å; L168-Y186 HydrophobicContact CD1-CG 4.22Å; L168-Y186 HydrophobicContact CD2-CE1 4.5Å; S170-Y186 WeakPolarHBondContact OG-CE2 3.38Å; S170-Y186 PolarHBondContact OG-OH 2.98Å; W172-Y186 HydrophobicContact CB-CD2 3.9Å; W172-Y186 HydrophobicContact CB-CG 4.45Å; S177-Y186 VanDerWaalsContact OG-CB 3.29Å; S177-Y186 WeakPolarHBondContact OG-CB 3.32Å; L184-Y186 HydrophobicContact CD2-CD1 4.34Å; L184-Y186 HydrophobicContact CG-CD1 4.09Å; Y186-N188 HydrophobicContact CD2-CB 4.47Å; Y186-N188 HydrophobicContact CE2-CB 4.12Å; Y186-V198 HydrophobicContact CD1-CB 4.01Å; Y186-V198 HydrophobicContact CD1-CG1 4.32Å; Y186-V198 HydrophobicContact CD2-CB 4.39Å; Y186-V198 HydrophobicContact CE1-CB 3.62Å; Y186-V198 HydrophobicContact CE1-CG1 3.52Å; Y186-V198 HydrophobicContact CE2-CB 4.02Å; Y186-V198 HydrophobicContact CE2-CG1 4.45Å; Y186-V198 HydrophobicContact CE2-CG2 4.13Å; Y186-V198 HydrophobicContact CG-CB 4.4Å; Y186-V198 PolarHBondContact N-O 3.28Å; Y186-V198 PolarHBondContact O-N 2.83Å; Y186-F200 HydrophobicContact CD1-CB 4.49Å; Y186-F200 HydrophobicContact CE1-CB 4.05Å
187I95.8Very high90.6Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-82.6124.9175.8-54.2-56.4000108.4W172 T173 V195 Q196 V197 V229 A230 L232 L241W172-I187 CarbonylContact C-O 3.54Å; W172-I187 VanDerWaalsContact CA-O 3.26Å; W172-I187 WeakPolarHBondContact CA-O 3.46Å; T173-I187 PolarHBondContact N-O 3.22Å; I187-V195 HydrophobicContact CG2-CG1 3.57Å; I187-Q196 WeakPolarHBondContact CA-O 3.27Å; I187-V197 HydrophobicContact CD1-CG2 3.86Å; I187-V229 HydrophobicContact CG2-CG2 3.84Å; I187-A230 HydrophobicContact CD1-CB 4.03Å; I187-A230 HydrophobicContact CG1-CB 4.24Å; I187-L232 HydrophobicContact CD1-CD1 3.74Å; I187-L232 HydrophobicContact CD1-CG 3.99Å; I187-L232 HydrophobicContact CG1-CD1 4.23Å; I187-L241 HydrophobicContact CD1-CD1 4.01Å
188N93.8Very high90.6Very high8 Ų839.7 Ų39.74%0.04321%0.213CC..EExtended strand (participates in β ladder)trans-112.2132.5169.3176.7-105.1000109S170 K171 Y186 Q196 V198S170-N188 WeakPolarHBondContact CB-ND2 3.33Å; S170-N188 PolarHBondContact OG-ND2 3.3Å; K171-N188 PolarHBondContact O-ND2 3.11Å; Y186-N188 HydrophobicContact CD2-CB 4.47Å; Y186-N188 HydrophobicContact CE2-CB 4.12Å; N188-Q196 PolarHBondContact N-O 2.85Å; N188-Q196 PolarHBondContact O-N 3.25Å; N188-V198 HydrophobicContact CB-CG2 3.84Å
189Q88.4Confident90.6Very high41 Ų4140.3 Ų40.319%0.19221%0.214CC..  trans-143.6107.8172.1-179.8178.748.600108.8T173 V195 R217T173-Q189 HydrophobicContact CG2-CB 4.2Å; T173-Q189 PolarHBondContact OG1-N 2.79Å; T173-Q189 PolarHBondContact OG1-O 3.08Å; Q189-V195 HydrophobicContact CB-CG2 4.48Å; Q189-V195 HydrophobicContact CG-CG2 4.29Å; Q189-V195 VanDerWaalsContact NE2-CG2 3.32Å; Q189-R217 PolarHBondContact NE2-O 3.29Å
190E79.9Confident90.7Very high123 Ų12340.3 Ų40.358%0.57521%0.214SC*.  trans-79.7156.5168.8-56-165.8156.600110.3D192 A193E190-D192 PolarHBondContact O-N 2.78Å; E190-A193 HydrophobicContact CB-CB 3.9Å; E190-A193 PolarHBondContact O-N 3.1Å
191T71Confident90.8Very high132 Ų13239.5 Ų39.581%0.8121%0.213SC*.THydrogen-bonded Turntrans-52.2-31.7-169.8-46.90000114.5
192D68Low90.9Very high149 Ų14935.2 Ų35.280%0.79719%0.19SC*.THydrogen-bonded Turntrans-119.413-178.7-65.9-48.4000113.2E190E190-D192 PolarHBondContact O-N 2.78Å
193A76.7Confident90.9Very high23 Ų2342.1 Ų42.119%0.1922%0.218CC..SBendtrans-108.5157-177.200000112.1E190 R217E190-A193 HydrophobicContact CB-CB 3.9Å; E190-A193 PolarHBondContact O-N 3.1Å; A193-R217 WeakPolarHBondContact O-CD 3.5Å
194D84.5Confident90.8Very high58 Ų5842.1 Ų42.131%0.3123%0.228SC..  trans-72158.6170.6-56.5-38.6000110.5Q196 M212 R217D194-Q196 PolarHBondContact O-N 3.17Å; D194-M212 HydrophobicContact CB-CE 3.84Å; D194-R217 IonicContact OD1-CZ 3.51Å; D194-R217 IonicContact OD1-NH1 3.63Å; D194-R217 PolarHBondContact OD1-NH1 2.84Å
195V89.4Confident90.7Very high2 Ų244.1 Ų44.11%0.01225%0.249CC..  trans-68.9130.2-178.1-179.50000110I187 Q189 F213 M215 V229I187-V195 HydrophobicContact CG2-CG1 3.57Å; Q189-V195 HydrophobicContact CB-CG2 4.48Å; Q189-V195 HydrophobicContact CG-CG2 4.29Å; Q189-V195 VanDerWaalsContact NE2-CG2 3.32Å; V195-F213 PolarHBondContact O-N 3.24Å; V195-F213 VanDerWaalsContact O-N 3.15Å; V195-M215 HydrophobicContact CB-CG 3.86Å; V195-M215 HydrophobicContact CB-SD 3.67Å; V195-M215 HydrophobicContact CG1-SD 3.79Å; V195-M215 HydrophobicContact CG2-CE 4.03Å; V195-M215 HydrophobicContact CG2-CG 3.92Å; V195-M215 HydrophobicContact CG2-SD 3.66Å; V195-V229 HydrophobicContact CG1-CG2 4.46Å; V195-V229 HydrophobicContact CG2-CG2 4.45Å
196Q93.1Very high90.7Very high47 Ų4746.7 Ų46.722%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-120.2139.1-179.6-66.5174.425.300110.9I187 N188 D194 T210 A211 M212I187-Q196 WeakPolarHBondContact CA-O 3.27Å; N188-Q196 PolarHBondContact N-O 2.85Å; N188-Q196 PolarHBondContact O-N 3.25Å; D194-Q196 PolarHBondContact O-N 3.17Å; Q196-T210 HydrophobicContact CB-CG2 4.01Å; Q196-T210 HydrophobicContact CG-CG2 4.28Å; Q196-A211 CarbonylContact C-O 3.55Å; Q196-A211 VanDerWaalsContact CA-O 3.3Å; Q196-A211 WeakPolarHBondContact CA-O 3.42Å; Q196-M212 HydrophobicContact CG-CG 4.1Å
197V95.7Very high90.7Very high1 Ų149.3 Ų49.31%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-95.3119.2165.5-179.40000107.3I187 T210 A211 L232 L241 M257 L262I187-V197 HydrophobicContact CD1-CG2 3.86Å; V197-T210 WeakPolarHBondContact O-CA 3.34Å; V197-A211 PolarHBondContact N-O 3.49Å; V197-A211 PolarHBondContact O-N 3.12Å; V197-L232 HydrophobicContact CG1-CD1 4.2Å; V197-L232 HydrophobicContact CG1-CD2 4.06Å; V197-L241 HydrophobicContact CG2-CD1 4.34Å; V197-L241 HydrophobicContact CG2-CD2 4.28Å; V197-M257 HydrophobicContact CB-CE 4.24Å; V197-M257 HydrophobicContact CG1-CE 4.18Å; V197-M257 HydrophobicContact CG2-CE 4.21Å; V197-M257 HydrophobicContact CG2-SD 4.44Å; V197-L262 HydrophobicContact CG1-CD1 4.37Å; V197-L262 HydrophobicContact CG1-CD2 4.34Å; V197-L262 WeakPolarHBondContact O-CD1 3.44Å
198V96.9Very high90.7Very high3 Ų352.4 Ų52.42%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-107.1128-179.8-176.30000109.5Y185 Y186 N188 V207 T210Y185-V198 WeakPolarHBondContact CA-O 3.49Å; Y186-V198 HydrophobicContact CD1-CB 4.01Å; Y186-V198 HydrophobicContact CD1-CG1 4.32Å; Y186-V198 HydrophobicContact CD2-CB 4.39Å; Y186-V198 HydrophobicContact CE1-CB 3.62Å; Y186-V198 HydrophobicContact CE1-CG1 3.52Å; Y186-V198 HydrophobicContact CE2-CB 4.02Å; Y186-V198 HydrophobicContact CE2-CG1 4.45Å; Y186-V198 HydrophobicContact CE2-CG2 4.13Å; Y186-V198 HydrophobicContact CG-CB 4.4Å; Y186-V198 PolarHBondContact N-O 3.28Å; Y186-V198 PolarHBondContact O-N 2.83Å; N188-V198 HydrophobicContact CB-CG2 3.84Å; V198-V207 HydrophobicContact CG1-CB 4.41Å; V198-V207 HydrophobicContact CG1-CG1 3.8Å; V198-V207 HydrophobicContact CG1-CG2 3.71Å; V198-T210 HydrophobicContact CG2-CG2 4.19Å
199K97.9Very high90.8Very high16 Ų1654.7 Ų54.77%0.0731%0.314CS..EExtended strand (participates in β ladder)trans-100.3113.7173.4-179.4-174.6170.2176.80110.1Y183 Y185 T208 D209 T259 S260 L262Y183-K199 HydrophobicContact CD1-CD 4.34Å; Y183-K199 VanDerWaalsContact CD1-CE 3.48Å; Y183-K199 HydrophobicContact CD1-CG 3.95Å; Y183-K199 HydrophobicContact CG-CG 4.39Å; Y185-K199 HydrophobicContact CD1-CB 4.1Å; Y185-K199 HydrophobicContact CD1-CG 4.12Å; Y185-K199 HydrophobicContact CE1-CB 4.05Å; Y185-K199 HydrophobicContact CE1-CD 3.85Å; Y185-K199 HydrophobicContact CE1-CG 3.64Å; K199-T208 WeakPolarHBondContact CD-OG1 3.33Å; K199-T208 WeakPolarHBondContact CG-OG1 3.39Å; K199-T208 PolarHBondContact O-N 3.34Å; K199-T208 PolarHBondContact O-OG1 3.19Å; K199-T208 VanDerWaalsContact O-OG1 3.12Å; K199-D209 HydrophobicContact CB-CB 4.23Å; K199-D209 HydrophobicContact CD-CB 4.31Å; K199-D209 PolarHBondContact N-O 2.62Å; K199-D209 PolarHBondContact O-N 2.87Å; K199-T259 WeakPolarHBondContact CE-O 3.39Å; K199-T259 PolarHBondContact NZ-O 3.07Å; K199-S260 PolarHBondContact NZ-O 3.39Å; K199-L262 HydrophobicContact CB-CD1 3.82Å; K199-L262 HydrophobicContact CB-CD2 4.18Å; K199-L262 HydrophobicContact CB-CG 4.23Å; K199-L262 HydrophobicContact CD-CD2 4.45Å
200F98.1Very high91.1Very high3 Ų355.6 Ų55.61%0.01332%0.322CS..EExtended strand (participates in β ladder)trans-113.2125.4-177.5-177.7-93.4000111I166 L168 P169 Y183 L184 Y186 L202 G205 V207I166-F200 HydrophobicContact CG2-CE1 3.75Å; I166-F200 HydrophobicContact CG2-CZ 4.2Å; L168-F200 HydrophobicContact CD2-CD1 4.04Å; L168-F200 HydrophobicContact CD2-CD2 4.48Å; L168-F200 HydrophobicContact CD2-CE1 4.11Å; L168-F200 HydrophobicContact CD2-CG 4.22Å; L168-F200 HydrophobicContact CD2-CZ 4.34Å; P169-F200 HydrophobicContact CG-CD2 4.43Å; P169-F200 HydrophobicContact CG-CE2 4.41Å; Y183-F200 WeakPolarHBondContact CA-O 3.27Å; L184-F200 HydrophobicContact CB-CB 4.36Å; L184-F200 PolarHBondContact N-O 2.91Å; L184-F200 PolarHBondContact O-N 3.1Å; Y186-F200 HydrophobicContact CD1-CB 4.49Å; Y186-F200 HydrophobicContact CE1-CB 4.05Å; F200-L202 HydrophobicContact CD1-CD2 4.07Å; F200-L202 HydrophobicContact CE1-CD2 4.24Å; F200-L202 PolarHBondContact O-N 2.85Å; F200-G205 VanDerWaalsContact CE2-C 3.42Å; F200-G205 WeakPolarHBondContact CE2-O 3.42Å; F200-G205 VanDerWaalsContact CZ-CA 3.49Å; F200-G205 WeakPolarHBondContact CZ-O 3.32Å; F200-V207 HydrophobicContact CD2-CG2 4.1Å
201D97.7Very high91.8Very high28 Ų2850.6 Ų50.615%0.1530%0.302CS..EExtended strand (participates in β ladder)trans-80.8116.4176.3174.5-1.7000110.2Y183 M203 S204 G205 S206 T208Y183-D201 HydrophobicContact CD1-CB 3.97Å; Y183-D201 HydrophobicContact CE1-CB 3.71Å; D201-M203 PolarHBondContact O-N 2.57Å; D201-M203 WeakPolarHBondContact OD1-CA 3.4Å; D201-M203 WeakPolarHBondContact OD1-CB 3.4Å; D201-M203 PolarHBondContact OD1-N 2.81Å; D201-S204 WeakPolarHBondContact CB-OG 3.49Å; D201-S204 PolarHBondContact OD1-N 2.79Å; D201-S204 WeakPolarHBondContact OD2-CB 3.47Å; D201-S204 PolarHBondContact OD2-OG 3.2Å; D201-G205 VanDerWaalsContact O-CA 3.28Å; D201-G205 WeakPolarHBondContact O-CA 3.22Å; D201-G205 PolarHBondContact O-N 2.81Å; D201-S206 PolarHBondContact N-O 2.73Å; D201-T208 HydrophobicContact CB-CG2 3.74Å
202L96.8Very high92.7Very high6 Ų649.9 Ų49.93%0.03129%0.291CS..THydrogen-bonded Turntrans-73.4-17.5-176.5-63.9164.3000113.1Y135 I166 V179 G182 L184 F200Y135-L202 HydrophobicContact CE1-CD1 3.78Å; Y135-L202 HydrophobicContact CE1-CD2 4.11Å; Y135-L202 HydrophobicContact CE2-CD1 4.37Å; I166-L202 HydrophobicContact CD1-CD2 3.71Å; I166-L202 HydrophobicContact CG2-CD2 4.49Å; V179-L202 HydrophobicContact CG1-CD1 3.75Å; G182-L202 VanDerWaalsContact O-CB 3.26Å; G182-L202 WeakPolarHBondContact O-CB 3.49Å; G182-L202 WeakPolarHBondContact O-CG 3.44Å; G182-L202 PolarHBondContact O-N 3.01Å; G182-L202 VanDerWaalsContact O-N 3.1Å; L184-L202 HydrophobicContact CB-CD1 4.22Å; L184-L202 HydrophobicContact CB-CD2 3.87Å; L184-L202 HydrophobicContact CB-CG 4.07Å; L184-L202 HydrophobicContact CD2-CD2 4.41Å; F200-L202 HydrophobicContact CD1-CD2 4.07Å; F200-L202 HydrophobicContact CE1-CD2 4.24Å; F200-L202 PolarHBondContact O-N 2.85Å
203M94.8Very high93.4Very high171 Ų17143.1 Ų43.184%0.84225%0.254SS*.THydrogen-bonded Turntrans-84.1-54.1177-169.5-177.6-53.200110.8D201D201-M203 PolarHBondContact O-N 2.57Å; D201-M203 WeakPolarHBondContact OD1-CA 3.4Å; D201-M203 WeakPolarHBondContact OD1-CB 3.4Å; D201-M203 PolarHBondContact OD1-N 2.81Å
204S95.8Very high93.4Very high71 Ų7146.8 Ų46.850%0.49728%0.276SS..THydrogen-bonded Turntrans-76.8-26-179.466.80000112.7D201 S206D201-S204 WeakPolarHBondContact CB-OG 3.49Å; D201-S204 PolarHBondContact OD1-N 2.79Å; D201-S204 WeakPolarHBondContact OD2-CB 3.47Å; D201-S204 PolarHBondContact OD2-OG 3.2Å; S204-S206 PolarHBondContact OG-N 2.87Å; S204-S206 PolarHBondContact OG-OG 3.02Å; S204-S206 VanDerWaalsContact OG-OG 3.12Å
205G95.9Very high93.4Very high42 Ų4244.6 Ų44.643%0.43326%0.264SS..THydrogen-bonded Turntrans74.925.5-176.600000113.3F200 D201F200-G205 VanDerWaalsContact CE2-C 3.42Å; F200-G205 WeakPolarHBondContact CE2-O 3.42Å; F200-G205 VanDerWaalsContact CZ-CA 3.49Å; F200-G205 WeakPolarHBondContact CZ-O 3.32Å; D201-G205 VanDerWaalsContact O-CA 3.28Å; D201-G205 WeakPolarHBondContact O-CA 3.22Å; D201-G205 PolarHBondContact O-N 2.81Å
206S96.7Very high93Very high56 Ų5648.9 Ų48.939%0.39228%0.284SS..EExtended strand (participates in β ladder)trans-124.4154.6179.266.90000112.7D201 S204 T208D201-S206 PolarHBondContact N-O 2.73Å; S204-S206 PolarHBondContact OG-N 2.87Å; S204-S206 PolarHBondContact OG-OG 3.02Å; S204-S206 VanDerWaalsContact OG-OG 3.12Å; S206-T208 PolarHBondContact O-N 2.75Å
207V97.5Very high92.2Very high56 Ų5652.4 Ų52.434%0.33930%0.295SS..EExtended strand (participates in β ladder)trans-70.1127.7167.3174.50000108.4P169 V198 F200P169-V207 HydrophobicContact CG-CG2 3.44Å; P169-V207 VanDerWaalsContact CG-CG2 3.44Å; V198-V207 HydrophobicContact CG1-CB 4.41Å; V198-V207 HydrophobicContact CG1-CG1 3.8Å; V198-V207 HydrophobicContact CG1-CG2 3.71Å; F200-V207 HydrophobicContact CD2-CG2 4.1Å
208T96.8Very high91.2Very high64 Ų6460 Ų6039%0.39333%0.33SS..EExtended strand (participates in β ladder)trans-99.7-31.5177.550.80000112.3Y183 K199 D201 S206Y183-T208 HydrophobicContact CE1-CG2 4.17Å; K199-T208 WeakPolarHBondContact CD-OG1 3.33Å; K199-T208 WeakPolarHBondContact CG-OG1 3.39Å; K199-T208 PolarHBondContact O-N 3.34Å; K199-T208 PolarHBondContact O-OG1 3.19Å; K199-T208 VanDerWaalsContact O-OG1 3.12Å; D201-T208 HydrophobicContact CB-CG2 3.74Å; S206-T208 PolarHBondContact O-N 2.75Å
209D95.8Very high90.7Very high57 Ų5759.8 Ų59.831%0.30533%0.329SS..EExtended strand (participates in β ladder)trans-157.2157.9178.9-148.7-14000111.7K199 T261 L262K199-D209 HydrophobicContact CB-CB 4.23Å; K199-D209 HydrophobicContact CD-CB 4.31Å; K199-D209 PolarHBondContact N-O 2.62Å; K199-D209 PolarHBondContact O-N 2.87Å; D209-T261 VanDerWaalsContact OD2-C 3.3Å; D209-T261 WeakPolarHBondContact OD2-CA 3.31Å; D209-L262 HydrophobicContact CB-CD1 3.99Å; D209-L262 HydrophobicContact CB-CG 4.29Å
210T95.1Very high90.4Very high59 Ų5959.8 Ų59.836%0.36233%0.331SS..EExtended strand (participates in β ladder)trans-144.8124.3176-59.70000109.9Q196 V197 V198Q196-T210 HydrophobicContact CB-CG2 4.01Å; Q196-T210 HydrophobicContact CG-CG2 4.28Å; V197-T210 WeakPolarHBondContact O-CA 3.34Å; V198-T210 HydrophobicContact CG2-CG2 4.19Å
211A93.6Very high90.3Very high18 Ų1859.7 Ų59.715%0.14933%0.331CS..EExtended strand (participates in β ladder)trans-111.5139174.900000111.5Q196 V197 L262Q196-A211 CarbonylContact C-O 3.55Å; Q196-A211 VanDerWaalsContact CA-O 3.3Å; Q196-A211 WeakPolarHBondContact CA-O 3.42Å; V197-A211 PolarHBondContact N-O 3.49Å; V197-A211 PolarHBondContact O-N 3.12Å; A211-L262 HydrophobicContact CB-CB 3.6Å; A211-L262 HydrophobicContact CB-CD1 4.12Å
212M89.7Confident90.2Very high117 Ų11758.4 Ų58.458%0.57632%0.324SS*.EExtended strand (participates in β ladder)trans-92136.4170.8-65.6-177.970.600109.7D194 Q196D194-M212 HydrophobicContact CB-CE 3.84Å; Q196-M212 HydrophobicContact CG-CG 4.1Å
213F82.6Confident90.1Very high8 Ų860.7 Ų60.74%0.03534%0.338CS..  trans-108.3137.2178.5-123.3-99000111.6V195 M215 L241 F243 A255 M257 I264V195-F213 PolarHBondContact O-N 3.24Å; V195-F213 VanDerWaalsContact O-N 3.15Å; F213-M215 PolarHBondContact O-N 2.93Å; F213-L241 HydrophobicContact CD1-CD2 3.7Å; F213-L241 HydrophobicContact CD2-CD2 3.62Å; F213-L241 HydrophobicContact CE1-CD2 3.61Å; F213-L241 HydrophobicContact CE2-CD2 3.48Å; F213-L241 VanDerWaalsContact CE2-CD2 3.48Å; F213-L241 HydrophobicContact CG-CD2 3.71Å; F213-L241 HydrophobicContact CZ-CD2 3.47Å; F213-L241 VanDerWaalsContact CZ-CD2 3.47Å; F213-F243 HydrophobicContact CD1-CD1 4.44Å; F213-F243 HydrophobicContact CD1-CD2 4.19Å; F213-F243 HydrophobicContact CD1-CE1 4.42Å; F213-F243 HydrophobicContact CD1-CE2 4.14Å; F213-F243 HydrophobicContact CD1-CG 4.35Å; F213-F243 HydrophobicContact CD1-CZ 4.27Å; F213-F243 AromaticContact CE1-CD1 3.94Å; F213-F243 HydrophobicContact CE1-CD1 3.94Å; F213-F243 HydrophobicContact CE1-CD2 4.34Å; F213-F243 AromaticContact CE1-CE1 3.65Å; F213-F243 HydrophobicContact CE1-CE1 3.65Å; F213-F243 HydrophobicContact CE1-CE2 4.06Å; F213-F243 HydrophobicContact CE1-CG 4.3Å; F213-F243 AromaticContact CE1-CZ 3.71Å; F213-F243 HydrophobicContact CE1-CZ 3.71Å; F213-F243 HydrophobicContact CZ-CE1 4.5Å; F213-A255 HydrophobicContact CE1-CB 4.1Å; F213-A255 HydrophobicContact CZ-CB 3.64Å; F213-M257 HydrophobicContact CE2-CE 4.05Å; F213-M257 HydrophobicContact CE2-SD 4.12Å; F213-I264 HydrophobicContact CD1-CD1 4.32Å; F213-I264 HydrophobicContact CD2-CD1 4.09Å; F213-I264 HydrophobicContact CD2-CG1 4.39Å; F213-I264 HydrophobicContact CE1-CD1 3.65Å; F213-I264 HydrophobicContact CE1-CG1 4.37Å; F213-I264 HydrophobicContact CE2-CD1 3.4Å; F213-I264 VanDerWaalsContact CE2-CD1 3.4Å; F213-I264 HydrophobicContact CE2-CG1 3.4Å; F213-I264 VanDerWaalsContact CE2-CG1 3.4Å; F213-I264 HydrophobicContact CZ-CD1 3.15Å; F213-I264 HydrophobicContact CZ-CG1 3.4Å
214P77.6Confident90.1Very high99 Ų9954.2 Ų54.264%0.64331%0.307SS*.  trans-7866.8-178.133.7-36.9000111.3
215M83.5Confident90.1Very high13 Ų1351.1 Ų51.16%0.06429%0.285CS..  trans-123152.3176.166173.2-6900111.8V195 F213 A219 V229 A230 F243 P245V195-M215 HydrophobicContact CB-CG 3.86Å; V195-M215 HydrophobicContact CB-SD 3.67Å; V195-M215 HydrophobicContact CG1-SD 3.79Å; V195-M215 HydrophobicContact CG2-CE 4.03Å; V195-M215 HydrophobicContact CG2-CG 3.92Å; V195-M215 HydrophobicContact CG2-SD 3.66Å; F213-M215 PolarHBondContact O-N 2.93Å; M215-A219 HydrophobicContact CE-CB 4.42Å; M215-V229 HydrophobicContact CE-CB 4.44Å; M215-V229 WeakPolarHBondContact CE-O 3.33Å; M215-A230 HydrophobicContact SD-CB 4.38Å; M215-F243 HydrophobicContact CB-CD2 4.35Å; M215-F243 HydrophobicContact SD-CB 4.48Å; M215-P245 WeakPolarHBondContact CA-O 3.31Å
216E81.9Confident90Very high92 Ų9252.6 Ų52.643%0.4329%0.287SS..  trans-64.9136.8174.2-75.9-176.1168.800111.9H218 A219 P245 T246 D247E216-H218 PolarHBondContact O-N 3.47Å; E216-A219 HydrophobicContact CB-CB 4.21Å; E216-A219 PolarHBondContact O-N 2.82Å; E216-P245 PolarHBondContact N-O 2.86Å; E216-T246 VanDerWaalsContact CD-CB 3.41Å; E216-T246 HydrophobicContact CG-CG2 4.02Å; E216-T246 VanDerWaalsContact OE2-CA 3.32Å; E216-T246 WeakPolarHBondContact OE2-CA 3.19Å; E216-T246 WeakPolarHBondContact OE2-CB 3.37Å; E216-D247 PolarHBondContact OE2-N 2.88Å
217R76.1Confident89.8Confident120 Ų12053.2 Ų53.245%0.45328%0.283SS..THydrogen-bonded Turntrans-56.5-26.1-176.3-70.5-172.3-74.9-88.13.4115Q189 A193 D194Q189-R217 PolarHBondContact NE2-O 3.29Å; A193-R217 WeakPolarHBondContact O-CD 3.5Å; D194-R217 IonicContact OD1-CZ 3.51Å; D194-R217 IonicContact OD1-NH1 3.63Å; D194-R217 PolarHBondContact OD1-NH1 2.84Å
218H74.8Confident89.7Confident160 Ų16050.7 Ų50.774%0.74127%0.268SS*.THydrogen-bonded Turntrans-114.511.5-173.8-6183.7000113E216 S220E216-H218 PolarHBondContact O-N 3.47Å; H218-S220 PolarHBondContact O-N 2.81Å
219A86Confident89.6Confident0 Ų048.2 Ų48.20%025%0.253CS..  trans-77.8120.2-178.800000110.3M215 E216 T244 D247M215-A219 HydrophobicContact CE-CB 4.42Å; E216-A219 HydrophobicContact CB-CB 4.21Å; E216-A219 PolarHBondContact O-N 2.82Å; A219-T244 HydrophobicContact CB-CG2 3.63Å; A219-D247 HydrophobicContact CB-CB 4.25Å
220S91.9Very high89.6Confident16 Ų1645.5 Ų45.511%0.11224%0.239CC..  trans-89.1126.7175143.90000109.5H218 Y222 P226 R274H218-S220 PolarHBondContact O-N 2.81Å; S220-Y222 PolarHBondContact OG-O 2.84Å; S220-Y222 VanDerWaalsContact OG-O 3.14Å; S220-P226 WeakPolarHBondContact OG-CA 3.49Å; S220-R274 PolarHBondContact O-NH1 3.01Å; S220-R274 VanDerWaalsContact O-NH1 3.12Å
221L95.3Very high89.7Confident0 Ų042.9 Ų42.90%022%0.222CC..SBendtrans-66.6-45.4177.817960.1000112.3T228 D231 L242 I252 R274L221-T228 VanDerWaalsContact CB-O 3.29Å; L221-T228 WeakPolarHBondContact CB-O 3.39Å; L221-T228 PolarHBondContact N-O 2.84Å; L221-D231 HydrophobicContact CD2-CB 3.55Å; L221-L242 HydrophobicContact CD1-CB 4.48Å; L221-L242 HydrophobicContact CD2-CB 3.85Å; L221-L242 WeakPolarHBondContact CD2-O 3.47Å; L221-I252 HydrophobicContact CD1-CB 4.4Å; L221-I252 HydrophobicContact CD1-CG1 3.99Å; L221-I252 HydrophobicContact CD1-CG2 3.86Å; L221-R274 WeakPolarHBondContact O-CB 3.48Å
222Y96.3Very high89.9Confident2 Ų242 Ų421%0.00822%0.215CC..BIsolated β-bridgetrans-116.8119.9-175.7-57.6-48.1000111S220 L224 N225 T228 D231 I252 A277 E278 A280S220-Y222 PolarHBondContact OG-O 2.84Å; S220-Y222 VanDerWaalsContact OG-O 3.14Å; Y222-L224 PolarHBondContact O-N 3.11Å; Y222-L224 VanDerWaalsContact O-N 3.14Å; Y222-N225 CarbonylContact O-C 3.54Å; Y222-N225 PolarHBondContact O-N 2.87Å; Y222-T228 HydrophobicContact CD2-CG2 3.92Å; Y222-T228 HydrophobicContact CE2-CG2 3.88Å; Y222-D231 HydrophobicContact CE2-CB 4.02Å; Y222-D231 WeakPolarHBondContact CE2-OD2 3.44Å; Y222-D231 WeakPolarHBondContact OH-CB 3.42Å; Y222-D231 PolarHBondContact OH-OD2 3.42Å; Y222-D231 VanDerWaalsContact OH-OD2 3.11Å; Y222-I252 HydrophobicContact CD1-CD1 4.35Å; Y222-I252 HydrophobicContact CE1-CD1 4.03Å; Y222-A277 HydrophobicContact CD1-CB 3.88Å; Y222-E278 WeakPolarHBondContact CD2-O 3.32Å; Y222-A280 HydrophobicContact CE1-CB 4.08Å; Y222-A280 VanDerWaalsContact OH-CB 3.28Å; Y222-A280 WeakPolarHBondContact OH-CB 3.44Å; Y222-A280 PolarHBondContact OH-N 3.42Å
223T94.9Very high90.3Very high54 Ų5436.8 Ų36.833%0.33119%0.191SC..THydrogen-bonded Turntrans-60.2-30.7-177.1-56.10000112.9R274 G275 A277T223-R274 WeakPolarHBondContact CB-O 3.42Å; T223-R274 PolarHBondContact N-O 2.91Å; T223-R274 PolarHBondContact OG1-O 3.12Å; T223-G275 WeakPolarHBondContact OG1-CA 3.37Å; T223-A277 PolarHBondContact N-O 3.18Å
224L95.1Very high90.9Very high34 Ų3436.9 Ų36.918%0.17819%0.192CC..THydrogen-bonded Turntrans-85.9-13.9177.8-58.8-178.7000113.3Y222 N276 A277 E278 N292 R294Y222-L224 PolarHBondContact O-N 3.11Å; Y222-L224 VanDerWaalsContact O-N 3.14Å; L224-N276 WeakPolarHBondContact CD1-O 3.43Å; L224-A277 WeakPolarHBondContact CB-O 3.32Å; L224-A277 PolarHBondContact N-O 3.27Å; L224-A277 VanDerWaalsContact N-O 3.1Å; L224-E278 HydrophobicContact CB-CB 4.15Å; L224-E278 HydrophobicContact CD1-CB 4.18Å; L224-N292 HydrophobicContact CD1-CB 3.75Å; L224-N292 WeakPolarHBondContact CD1-O 3.33Å; L224-R294 HydrophobicContact CD2-CG 3.86Å
225N94.9Very high91.7Very high7 Ų732.2 Ų32.24%0.03716%0.161CC..BIsolated β-bridgetrans-132.971.7176.6-75.2-50.2000111.1K122 Y222 E227 T228 E278 H328K122-N225 WeakPolarHBondContact CE-OD1 3.39Å; K122-N225 PolarHBondContact NZ-OD1 3.32Å; Y222-N225 CarbonylContact O-C 3.54Å; Y222-N225 PolarHBondContact O-N 2.87Å; N225-E227 PolarHBondContact O-N 3.34Å; N225-E227 VanDerWaalsContact O-N 3.08Å; N225-T228 WeakPolarHBondContact O-CB 3.47Å; N225-T228 PolarHBondContact O-N 3.02Å; N225-T228 PolarHBondContact O-OG1 3.04Å; N225-E278 PolarHBondContact ND2-O 2.59Å; N225-H328 PolarHBondContact ND2-O 2.85Å
226P93.3Very high92Very high73 Ų7335.3 Ų35.347%0.47418%0.178SC..THydrogen-bonded Turntrans-65.9-14.2-172.827.7-36.6000114.6S220 T228S220-P226 WeakPolarHBondContact OG-CA 3.49Å; P226-T228 PolarHBondContact O-N 3.34Å
227E93.6Very high92.4Very high69 Ų6932.3 Ų32.332%0.32216%0.164SC..THydrogen-bonded Turntrans-75.3-13.5174.1-49.788.5157.200112.5K122 T140 G174 N225 V229K122-E227 IonicContact NZ-OE1 2.75Å; K122-E227 PolarHBondContact NZ-OE1 2.78Å; K122-E227 IonicContact NZ-OE2 2.64Å; K122-E227 PolarHBondContact NZ-OE2 3.49Å; T140-E227 HydrophobicContact CG2-CB 3.82Å; T140-E227 HydrophobicContact CG2-CG 3.98Å; G174-E227 WeakPolarHBondContact CA-O 3.32Å; N225-E227 PolarHBondContact O-N 3.34Å; N225-E227 VanDerWaalsContact O-N 3.08Å; E227-V229 PolarHBondContact O-N 2.87Å
228T95.1Very high93.1Very high2 Ų227 Ų271%0.01215%0.147CC..  trans-90.196.1173.9-43.40000108.6P175 L221 Y222 N225 P226 D231P175-T228 WeakPolarHBondContact CD-OG1 3.38Å; L221-T228 VanDerWaalsContact CB-O 3.29Å; L221-T228 WeakPolarHBondContact CB-O 3.39Å; L221-T228 PolarHBondContact N-O 2.84Å; Y222-T228 HydrophobicContact CD2-CG2 3.92Å; Y222-T228 HydrophobicContact CE2-CG2 3.88Å; N225-T228 WeakPolarHBondContact O-CB 3.47Å; N225-T228 PolarHBondContact O-N 3.02Å; N225-T228 PolarHBondContact O-OG1 3.04Å; P226-T228 PolarHBondContact O-N 3.34Å; T228-D231 HydrophobicContact CG2-CB 4.11Å
229V93.9Very high94.1Very high12 Ų1219.4 Ų19.47%0.07311%0.111CC..SBendtrans-78.9-34.4179-61.30000112T173 I187 V195 M215 E227T173-V229 HydrophobicContact CG2-CG2 4.29Å; I187-V229 HydrophobicContact CG2-CG2 3.84Å; V195-V229 HydrophobicContact CG1-CG2 4.46Å; V195-V229 HydrophobicContact CG2-CG2 4.45Å; M215-V229 HydrophobicContact CE-CB 4.44Å; M215-V229 WeakPolarHBondContact CE-O 3.33Å; E227-V229 PolarHBondContact O-N 2.87Å
230A95.7Very high94.7Very high1 Ų119.4 Ų19.41%0.00811%0.112CC..  trans-148.9155172.400000108.9I187 M215 L241 L242 F243I187-A230 HydrophobicContact CD1-CB 4.03Å; I187-A230 HydrophobicContact CG1-CB 4.24Å; M215-A230 HydrophobicContact SD-CB 4.38Å; A230-L241 HydrophobicContact CB-CD1 3.89Å; A230-L242 WeakPolarHBondContact CA-O 3.48Å; A230-F243 HydrophobicContact CB-CB 4.31Å
231D97.4Very high94.9Very high3 Ų318.7 Ų18.72%0.01611%0.106CC..EExtended strand (participates in β ladder)trans-130.9113.8-176.2-162.45.4000111.2G176 L221 Y222 T228 L242 K332G176-D231 VanDerWaalsContact CA-OD1 3.31Å; G176-D231 WeakPolarHBondContact CA-OD1 3.26Å; L221-D231 HydrophobicContact CD2-CB 3.55Å; Y222-D231 HydrophobicContact CE2-CB 4.02Å; Y222-D231 WeakPolarHBondContact CE2-OD2 3.44Å; Y222-D231 WeakPolarHBondContact OH-CB 3.42Å; Y222-D231 PolarHBondContact OH-OD2 3.42Å; Y222-D231 VanDerWaalsContact OH-OD2 3.11Å; T228-D231 HydrophobicContact CG2-CB 4.11Å; D231-L242 HydrophobicContact CB-CB 4.35Å; D231-L242 HydrophobicContact CB-CD1 4.5Å; D231-L242 PolarHBondContact N-O 3.04Å; D231-L242 WeakPolarHBondContact O-CD1 3.44Å; D231-L242 PolarHBondContact O-N 3.27Å; D231-K332 IonicContact OD1-NZ 3.29Å; D231-K332 PolarHBondContact OD1-NZ 3.11Å
232L97.8Very high95Very high0 Ų018.7 Ų18.70%011%0.106CC..EExtended strand (participates in β ladder)trans-81.7130.7175.8-68.7154.9000109.9G176 A178 Y185 I187 V197 L239 W240 L241 M257 K332G176-L232 WeakPolarHBondContact O-CB 3.33Å; G176-L232 PolarHBondContact O-N 3.12Å; A178-L232 HydrophobicContact CB-CB 3.77Å; Y185-L232 WeakPolarHBondContact O-CD1 3.38Å; I187-L232 HydrophobicContact CD1-CD1 3.74Å; I187-L232 HydrophobicContact CD1-CG 3.99Å; I187-L232 HydrophobicContact CG1-CD1 4.23Å; V197-L232 HydrophobicContact CG1-CD1 4.2Å; V197-L232 HydrophobicContact CG1-CD2 4.06Å; L232-L239 HydrophobicContact CD2-CD1 4.16Å; L232-L239 HydrophobicContact CD2-CG 4.46Å; L232-W240 CarbonylContact C-O 3.58Å; L232-W240 WeakPolarHBondContact CA-O 3.43Å; L232-L241 HydrophobicContact CD2-CB 4.39Å; L232-L241 HydrophobicContact CD2-CD1 3.64Å; L232-L241 HydrophobicContact CG-CD1 3.85Å; L232-M257 HydrophobicContact CD2-SD 4.29Å; L232-K332 PolarHBondContact O-NZ 2.74Å
233A97.7Very high95Very high8 Ų818.9 Ų18.97%0.06611%0.107CC..EExtended strand (participates in β ladder)trans-124.8152176.400000110.5W240 L242 V282A233-W240 HydrophobicContact CB-CB 4.28Å; A233-W240 PolarHBondContact N-O 3.12Å; A233-W240 PolarHBondContact O-N 2.85Å; A233-L242 HydrophobicContact CB-CD1 4.03Å; A233-V282 HydrophobicContact CB-CB 4.04Å; A233-V282 HydrophobicContact CB-CG2 3.67Å
234V95.4Very high95Very high10 Ų1016.3 Ų16.36%0.0619%0.092CC..EExtended strand (participates in β ladder)trans-133133179.8173.90000107.5A178 Y180 G238 L239A178-V234 HydrophobicContact CB-CG2 3.82Å; Y180-V234 HydrophobicContact CD2-CG1 3.4Å; Y180-V234 VanDerWaalsContact CD2-CG1 3.4Å; Y180-V234 HydrophobicContact CE2-CG1 3.96Å; Y180-V234 HydrophobicContact CG-CG1 3.73Å; Y180-V234 HydrophobicContact CG-CG2 4.46Å; V234-G238 WeakPolarHBondContact CA-O 3.31Å; V234-L239 HydrophobicContact CG2-CD1 3.77Å
235D94.1Very high94.7Very high0 Ų016.6 Ų16.60%010%0.095CC..  trans-139.7-163.8175.674-9.1000110.3E237 G238 W240 V282 C284 G285 Y333D235-E237 PolarHBondContact O-N 3.47Å; D235-E237 WeakPolarHBondContact OD1-CA 3.46Å; D235-E237 WeakPolarHBondContact OD1-CB 3.19Å; D235-E237 PolarHBondContact OD1-N 2.85Å; D235-G238 PolarHBondContact N-O 3.03Å; D235-G238 VanDerWaalsContact N-O 3.17Å; D235-G238 PolarHBondContact OD1-N 2.89Å; D235-W240 PolarHBondContact OD1-NE1 3.11Å; D235-W240 PolarHBondContact OD2-NE1 2.8Å; D235-V282 WeakPolarHBondContact OD2-CG1 3.24Å; D235-C284 WeakPolarHBondContact OD2-CA 3.4Å; D235-C284 PolarHBondContact OD2-N 3.33Å; D235-G285 PolarHBondContact OD2-N 3.3Å; D235-Y333 HydrophobicContact CB-CD1 4.22Å; D235-Y333 HydrophobicContact CB-CE1 4.29Å
236D90.9Very high94.5Very high78 Ų7817.7 Ų17.742%0.41710%0.102SC..SBendtrans-65.7-22178.1-54.6-84.6000113.8C102 P335C102-D236 HydrophobicContact CB-CB 4.23Å; D236-P335 VanDerWaalsContact OD1-CB 3.24Å; D236-P335 WeakPolarHBondContact OD1-CB 3.02Å
237E89.8Confident94.1Very high30 Ų3018 Ų1814%0.1410%0.1CC..SBendtrans-94.7-18.2-177.6-53.8-160.8175.300113.6S100 D235 W240 K256 G285S100-E237 WeakPolarHBondContact CB-OE1 3.23Å; S100-E237 WeakPolarHBondContact OG-CG 3.22Å; S100-E237 PolarHBondContact OG-OE1 2.86Å; D235-E237 PolarHBondContact O-N 3.47Å; D235-E237 WeakPolarHBondContact OD1-CA 3.46Å; D235-E237 WeakPolarHBondContact OD1-CB 3.19Å; D235-E237 PolarHBondContact OD1-N 2.85Å; E237-W240 HydrophobicContact CB-CZ2 3.8Å; E237-W240 HydrophobicContact CG-CZ2 4.39Å; E237-W240 VanDerWaalsContact OE2-CZ2 3.31Å; E237-W240 WeakPolarHBondContact OE2-CZ2 3.38Å; E237-K256 IonicContact OE2-NZ 3.96Å; E237-G285 PolarHBondContact OE1-N 2.82Å
238G91.4Very high93.8Very high8 Ų819.6 Ų19.68%0.08212%0.119CC..  trans139-138.3173.500000114.1V234 D235V234-G238 WeakPolarHBondContact CA-O 3.31Å; D235-G238 PolarHBondContact N-O 3.03Å; D235-G238 VanDerWaalsContact N-O 3.17Å; D235-G238 PolarHBondContact OD1-N 2.89Å
239L95.9Very high93.6Very high0 Ų023.3 Ų23.30%014%0.136CC..EExtended strand (participates in β ladder)trans-105131.6-176-178.770000110.5Y185 L232 V234 M257 T259 L262Y185-L239 HydrophobicContact CD1-CD2 3.52Å; Y185-L239 HydrophobicContact CD2-CD1 4.35Å; Y185-L239 HydrophobicContact CD2-CD2 4.5Å; Y185-L239 HydrophobicContact CE1-CD2 3.6Å; Y185-L239 HydrophobicContact CG-CD1 4.27Å; Y185-L239 HydrophobicContact CG-CD2 3.99Å; L232-L239 HydrophobicContact CD2-CD1 4.16Å; L232-L239 HydrophobicContact CD2-CG 4.46Å; V234-L239 HydrophobicContact CG2-CD1 3.77Å; L239-M257 HydrophobicContact CD2-CB 4.13Å; L239-M257 HydrophobicContact CG-CB 4.29Å; L239-M257 PolarHBondContact O-N 2.98Å; L239-T259 HydrophobicContact CB-CG2 3.85Å; L239-L262 HydrophobicContact CD2-CD2 4.25Å
240W97.5Very high93.6Very high1 Ų126.3 Ų26.30%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-124.4148.9-178.8-56.491000110.4L232 A233 D235 E237 L254 A255 K256 W268 V282 V307L232-W240 CarbonylContact C-O 3.58Å; L232-W240 WeakPolarHBondContact CA-O 3.43Å; A233-W240 HydrophobicContact CB-CB 4.28Å; A233-W240 PolarHBondContact N-O 3.12Å; A233-W240 PolarHBondContact O-N 2.85Å; D235-W240 PolarHBondContact OD1-NE1 3.11Å; D235-W240 PolarHBondContact OD2-NE1 2.8Å; E237-W240 HydrophobicContact CB-CZ2 3.8Å; E237-W240 HydrophobicContact CG-CZ2 4.39Å; E237-W240 VanDerWaalsContact OE2-CZ2 3.31Å; E237-W240 WeakPolarHBondContact OE2-CZ2 3.38Å; W240-L254 HydrophobicContact CB-CD1 4.07Å; W240-L254 HydrophobicContact CD2-CD1 4.49Å; W240-L254 HydrophobicContact CE3-CD1 3.96Å; W240-L254 HydrophobicContact CE3-CD2 3.73Å; W240-L254 HydrophobicContact CE3-CG 3.84Å; W240-L254 HydrophobicContact CZ3-CD2 3.78Å; W240-L254 HydrophobicContact CZ3-CG 4.29Å; W240-A255 CarbonylContact C-O 3.58Å; W240-A255 WeakPolarHBondContact CA-O 3.3Å; W240-K256 HydrophobicContact CE3-CB 3.8Å; W240-K256 HydrophobicContact CE3-CG 4.13Å; W240-K256 HydrophobicContact CH2-CB 4.19Å; W240-K256 HydrophobicContact CH2-CD 3.72Å; W240-K256 HydrophobicContact CH2-CG 4.06Å; W240-K256 HydrophobicContact CZ2-CD 4.15Å; W240-K256 HydrophobicContact CZ2-CG 4.41Å; W240-K256 HydrophobicContact CZ3-CB 3.57Å; W240-K256 HydrophobicContact CZ3-CD 4.01Å; W240-K256 HydrophobicContact CZ3-CG 3.91Å; W240-W268 HydrophobicContact CE3-CZ3 4.37Å; W240-W268 HydrophobicContact CH2-CH2 4.29Å; W240-W268 HydrophobicContact CZ3-CE3 4.37Å; W240-W268 AromaticContact CZ3-CH2 3.78Å; W240-W268 HydrophobicContact CZ3-CH2 3.78Å; W240-W268 AromaticContact CZ3-CZ3 3.6Å; W240-W268 HydrophobicContact CZ3-CZ3 3.6Å; W240-V282 HydrophobicContact CB-CG2 4.22Å; W240-V282 HydrophobicContact CD2-CG1 4.34Å; W240-V282 HydrophobicContact CG-CB 4.45Å; W240-V282 HydrophobicContact CG-CG1 4.18Å; W240-V282 HydrophobicContact CG-CG2 4.32Å; W240-V307 HydrophobicContact CH2-CG1 4.1Å; W240-V307 HydrophobicContact CH2-CG2 4.1Å; W240-V307 HydrophobicContact CZ3-CG1 3.97Å
241L97.4Very high93.6Very high1 Ų127.4 Ų27.41%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-122118.9170.6-175.471.4000109.3I187 V197 F213 A230 L232 F243 L254 A255 M257I187-L241 HydrophobicContact CD1-CD1 4.01Å; V197-L241 HydrophobicContact CG2-CD1 4.34Å; V197-L241 HydrophobicContact CG2-CD2 4.28Å; F213-L241 HydrophobicContact CD1-CD2 3.7Å; F213-L241 HydrophobicContact CD2-CD2 3.62Å; F213-L241 HydrophobicContact CE1-CD2 3.61Å; F213-L241 HydrophobicContact CE2-CD2 3.48Å; F213-L241 VanDerWaalsContact CE2-CD2 3.48Å; F213-L241 HydrophobicContact CG-CD2 3.71Å; F213-L241 HydrophobicContact CZ-CD2 3.47Å; F213-L241 VanDerWaalsContact CZ-CD2 3.47Å; A230-L241 HydrophobicContact CB-CD1 3.89Å; L232-L241 HydrophobicContact CD2-CB 4.39Å; L232-L241 HydrophobicContact CD2-CD1 3.64Å; L232-L241 HydrophobicContact CG-CD1 3.85Å; L241-F243 HydrophobicContact CD2-CB 4.49Å; L241-F243 HydrophobicContact CD2-CD1 4.29Å; L241-F243 HydrophobicContact CG-CB 4.43Å; L241-F243 HydrophobicContact CG-CD1 4.32Å; L241-L254 CarbonylContact O-C 3.07Å; L241-L254 WeakPolarHBondContact O-CA 3.39Å; L241-A255 HydrophobicContact CB-CB 4.45Å; L241-A255 PolarHBondContact N-O 3.1Å; L241-A255 PolarHBondContact O-N 3.29Å; L241-M257 HydrophobicContact CB-CG 4.41Å; L241-M257 HydrophobicContact CB-SD 3.79Å; L241-M257 HydrophobicContact CD2-SD 4.31Å
242L97.6Very high93.6Very high0 Ų027.3 Ų27.30%016%0.161CC..EExtended strand (participates in β ladder)trans-89.4130.8163.7-60.7105.3000108.8L221 A230 D231 A233 I252 S253 L254 A280 V282 V287L221-L242 HydrophobicContact CD1-CB 4.48Å; L221-L242 HydrophobicContact CD2-CB 3.85Å; L221-L242 WeakPolarHBondContact CD2-O 3.47Å; A230-L242 WeakPolarHBondContact CA-O 3.48Å; D231-L242 HydrophobicContact CB-CB 4.35Å; D231-L242 HydrophobicContact CB-CD1 4.5Å; D231-L242 PolarHBondContact N-O 3.04Å; D231-L242 WeakPolarHBondContact O-CD1 3.44Å; D231-L242 PolarHBondContact O-N 3.27Å; A233-L242 HydrophobicContact CB-CD1 4.03Å; L242-I252 HydrophobicContact CB-CG2 4.22Å; L242-I252 HydrophobicContact CD2-CG2 3.86Å; L242-S253 WeakPolarHBondContact CA-O 3.44Å; L242-L254 HydrophobicContact CG-CD1 4.02Å; L242-A280 HydrophobicContact CD2-CB 3.74Å; L242-V282 HydrophobicContact CD1-CG2 4.11Å; L242-V287 HydrophobicContact CD2-CG1 3.67Å
243F95.6Very high93.5Very high6 Ų627.8 Ų27.83%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-154.1174.2-178.871.7-73.5000110.5F213 M215 A230 L241 P245 S253 A255 I267F213-F243 HydrophobicContact CD1-CD1 4.44Å; F213-F243 HydrophobicContact CD1-CD2 4.19Å; F213-F243 HydrophobicContact CD1-CE1 4.42Å; F213-F243 HydrophobicContact CD1-CE2 4.14Å; F213-F243 HydrophobicContact CD1-CG 4.35Å; F213-F243 HydrophobicContact CD1-CZ 4.27Å; F213-F243 AromaticContact CE1-CD1 3.94Å; F213-F243 HydrophobicContact CE1-CD1 3.94Å; F213-F243 HydrophobicContact CE1-CD2 4.34Å; F213-F243 AromaticContact CE1-CE1 3.65Å; F213-F243 HydrophobicContact CE1-CE1 3.65Å; F213-F243 HydrophobicContact CE1-CE2 4.06Å; F213-F243 HydrophobicContact CE1-CG 4.3Å; F213-F243 AromaticContact CE1-CZ 3.71Å; F213-F243 HydrophobicContact CE1-CZ 3.71Å; F213-F243 HydrophobicContact CZ-CE1 4.5Å; M215-F243 HydrophobicContact CB-CD2 4.35Å; M215-F243 HydrophobicContact SD-CB 4.48Å; A230-F243 HydrophobicContact CB-CB 4.31Å; L241-F243 HydrophobicContact CD2-CB 4.49Å; L241-F243 HydrophobicContact CD2-CD1 4.29Å; L241-F243 HydrophobicContact CG-CB 4.43Å; L241-F243 HydrophobicContact CG-CD1 4.32Å; F243-P245 HydrophobicContact CE2-CG 4Å; F243-S253 PolarHBondContact N-O 2.88Å; F243-S253 WeakPolarHBondContact O-CA 3.17Å; F243-S253 PolarHBondContact O-N 2.93Å; F243-A255 HydrophobicContact CD1-CB 4.45Å; F243-A255 HydrophobicContact CE1-CB 3.81Å; F243-I267 HydrophobicContact CE1-CG2 4.44Å; F243-I267 HydrophobicContact CZ-CG2 4.17Å
244T94.2Very high93.4Very high0 Ų027.4 Ų27.40%016%0.161CC..  trans-126.3128.2169178.80000108.3A219 T246A219-T244 HydrophobicContact CB-CG2 3.63Å; T244-T246 PolarHBondContact O-N 3.12Å; T244-T246 PolarHBondContact OG1-O 2.89Å
245P90.3Very high93.5Very high40 Ų4027 Ų2726%0.2616%0.158SC..SBendtrans-61.1-42.3-177.7-24.732.5000113M215 E216 F243 E249 S253M215-P245 WeakPolarHBondContact CA-O 3.31Å; E216-P245 PolarHBondContact N-O 2.86Å; F243-P245 HydrophobicContact CE2-CG 4Å; P245-E249 HydrophobicContact CB-CG 4.42Å; P245-E249 HydrophobicContact CG-CG 4.36Å; P245-S253 WeakPolarHBondContact CD-OG 3.34Å
246T89.9Confident93.5Very high30 Ų3028.8 Ų28.818%0.18417%0.166CC..SBendtrans-135.4163.4179.570.80000110.5E216 T244 S248 E249E216-T246 VanDerWaalsContact CD-CB 3.41Å; E216-T246 HydrophobicContact CG-CG2 4.02Å; E216-T246 VanDerWaalsContact OE2-CA 3.32Å; E216-T246 WeakPolarHBondContact OE2-CA 3.19Å; E216-T246 WeakPolarHBondContact OE2-CB 3.37Å; T244-T246 PolarHBondContact O-N 3.12Å; T244-T246 PolarHBondContact OG1-O 2.89Å; T246-S248 PolarHBondContact O-N 2.9Å; T246-S248 PolarHBondContact OG1-N 3.45Å; T246-S248 PolarHBondContact OG1-OG 3.45Å; T246-E249 PolarHBondContact O-N 2.64Å; T246-E249 WeakPolarHBondContact OG1-CG 3.34Å; T246-E249 PolarHBondContact OG1-N 3.04Å
247D85.1Confident93.7Very high80 Ų8025.2 Ų25.243%0.42815%0.147SC..THydrogen-bonded Turntrans-74-14.4171.6-168.442.7000112.1E216 A219 R274E216-D247 PolarHBondContact OE2-N 2.88Å; A219-D247 HydrophobicContact CB-CB 4.25Å; D247-R274 PolarHBondContact O-NH2 3Å; D247-R274 IonicContact OD1-CZ 3.48Å; D247-R274 IonicContact OD1-NH1 2.87Å; D247-R274 PolarHBondContact OD1-NH1 2.83Å; D247-R274 VanDerWaalsContact OD1-NH1 3.11Å; D247-R274 IonicContact OD1-NH2 3.29Å; D247-R274 PolarHBondContact OD1-NH2 2.77Å
248S87.5Confident93.9Very high101 Ų10125.9 Ų25.971%0.70615%0.151SC*.THydrogen-bonded Turntrans-79.7-19.2172.856.10000113.7T246T246-S248 PolarHBondContact O-N 2.9Å; T246-S248 PolarHBondContact OG1-N 3.45Å; T246-S248 PolarHBondContact OG1-OG 3.45Å
249E91.3Very high94Very high80 Ų8027.8 Ų27.837%0.37416%0.162SC..  trans-65.9129.7178.1-73.3-45.2143.100111P245 T246 R274P245-E249 HydrophobicContact CB-CG 4.42Å; P245-E249 HydrophobicContact CG-CG 4.36Å; T246-E249 PolarHBondContact O-N 2.64Å; T246-E249 WeakPolarHBondContact OG1-CG 3.34Å; T246-E249 PolarHBondContact OG1-N 3.04Å; E249-R274 WeakPolarHBondContact O-CD 3.48Å; E249-R274 PolarHBondContact O-NE 2.88Å
250P93.5Very high93.8Very high75 Ų7531 Ų3149%0.48719%0.185SC..  trans-83.2-17.9-178.632.7-34.5000113P273 R274P250-P273 WeakPolarHBondContact O-CA 3.45Å; P250-R274 WeakPolarHBondContact O-CG 3.21Å; P250-R274 PolarHBondContact O-N 3.29Å
251N95.6Very high93.7Very high25 Ų2533.6 Ų33.613%0.13420%0.2CC..EExtended strand (participates in β ladder)trans-115.8155.6-169.7-61.9-24.6000112Q271 C272N251-Q271 PolarHBondContact ND2-OE1 3.47Å; N251-C272 CarbonylContact C-O 3.47Å; N251-C272 VanDerWaalsContact CA-O 3.27Å; N251-C272 WeakPolarHBondContact CA-O 3.49Å
252I96.3Very high93.5Very high0 Ų033.6 Ų33.60%020%0.2CC..EExtended strand (participates in β ladder)trans-79.3135.1174.3-64.1164.7000108.9L221 Y222 L242 T270 C272 R274 A277 V289L221-I252 HydrophobicContact CD1-CB 4.4Å; L221-I252 HydrophobicContact CD1-CG1 3.99Å; L221-I252 HydrophobicContact CD1-CG2 3.86Å; Y222-I252 HydrophobicContact CD1-CD1 4.35Å; Y222-I252 HydrophobicContact CE1-CD1 4.03Å; L242-I252 HydrophobicContact CB-CG2 4.22Å; L242-I252 HydrophobicContact CD2-CG2 3.86Å; I252-T270 WeakPolarHBondContact O-CB 3.4Å; I252-T270 WeakPolarHBondContact O-CG2 3.5Å; I252-T270 PolarHBondContact O-N 3.37Å; I252-T270 PolarHBondContact O-OG1 2.8Å; I252-C272 PolarHBondContact N-O 3.47Å; I252-R274 HydrophobicContact CG1-CB 3.99Å; I252-A277 HydrophobicContact CD1-CB 4.44Å; I252-V289 HydrophobicContact CD1-CG1 3.71Å; I252-V289 HydrophobicContact CD1-CG2 3.93Å
253S96Very high93.4Very high11 Ų1138.5 Ų38.58%0.07723%0.227CC..EExtended strand (participates in β ladder)trans-101150.1169.6-59.10000110.5L242 F243 P245 W268L242-S253 WeakPolarHBondContact CA-O 3.44Å; F243-S253 PolarHBondContact N-O 2.88Å; F243-S253 WeakPolarHBondContact O-CA 3.17Å; F243-S253 PolarHBondContact O-N 2.93Å; P245-S253 WeakPolarHBondContact CD-OG 3.34Å; S253-W268 WeakPolarHBondContact CA-O 3.29Å
254L96.9Very high93.3Very high0 Ų041.3 Ų41.30%024%0.241CC..EExtended strand (participates in β ladder)trans-118.2138.4176.4-178.773.3000108.9W240 L241 L242 I267 W268 T270 V282 V287 V307W240-L254 HydrophobicContact CB-CD1 4.07Å; W240-L254 HydrophobicContact CD2-CD1 4.49Å; W240-L254 HydrophobicContact CE3-CD1 3.96Å; W240-L254 HydrophobicContact CE3-CD2 3.73Å; W240-L254 HydrophobicContact CE3-CG 3.84Å; W240-L254 HydrophobicContact CZ3-CD2 3.78Å; W240-L254 HydrophobicContact CZ3-CG 4.29Å; L241-L254 CarbonylContact O-C 3.07Å; L241-L254 WeakPolarHBondContact O-CA 3.39Å; L242-L254 HydrophobicContact CG-CD1 4.02Å; L254-I267 CarbonylContact O-C 3.56Å; L254-I267 VanDerWaalsContact O-CA 3.29Å; L254-I267 WeakPolarHBondContact O-CA 3.36Å; L254-W268 HydrophobicContact CB-CB 4.46Å; L254-W268 HydrophobicContact CB-CE3 4.48Å; L254-W268 HydrophobicContact CD2-CE3 4.1Å; L254-W268 HydrophobicContact CG-CE3 4.28Å; L254-W268 PolarHBondContact N-O 3.07Å; L254-W268 PolarHBondContact O-N 2.84Å; L254-T270 HydrophobicContact CB-CG2 3.87Å; L254-V282 HydrophobicContact CD1-CG2 4.26Å; L254-V287 HydrophobicContact CB-CG2 4.45Å; L254-V287 HydrophobicContact CD1-CG2 3.79Å; L254-V287 HydrophobicContact CD2-CG2 3.57Å; L254-V287 HydrophobicContact CG-CG2 4.13Å; L254-V307 HydrophobicContact CD2-CG1 3.43Å; L254-V307 VanDerWaalsContact CD2-CG1 3.43Å
255A96Very high93.2Very high0 Ų046 Ų460%026%0.263CS..EExtended strand (participates in β ladder)trans-127.5139.8168.100000110.8F213 W240 L241 F243 I264 Q266 I267F213-A255 HydrophobicContact CE1-CB 4.1Å; F213-A255 HydrophobicContact CZ-CB 3.64Å; W240-A255 CarbonylContact C-O 3.58Å; W240-A255 WeakPolarHBondContact CA-O 3.3Å; L241-A255 HydrophobicContact CB-CB 4.45Å; L241-A255 PolarHBondContact N-O 3.1Å; L241-A255 PolarHBondContact O-N 3.29Å; F243-A255 HydrophobicContact CD1-CB 4.45Å; F243-A255 HydrophobicContact CE1-CB 3.81Å; A255-I264 HydrophobicContact CB-CG2 4.25Å; A255-Q266 CarbonylContact C-O 3.46Å; A255-Q266 VanDerWaalsContact CA-O 3.27Å; A255-Q266 WeakPolarHBondContact CA-O 3.46Å; A255-I267 HydrophobicContact CB-CG1 4.11Å
256K95.8Very high93.4Very high39 Ų3948.7 Ų48.717%0.1727%0.272CS..EExtended strand (participates in β ladder)trans-92.2132.6169.7-169171.5-178.8160.80108.4E237 W240 E265 Q266 W268E237-K256 IonicContact OE2-NZ 3.96Å; W240-K256 HydrophobicContact CE3-CB 3.8Å; W240-K256 HydrophobicContact CE3-CG 4.13Å; W240-K256 HydrophobicContact CH2-CB 4.19Å; W240-K256 HydrophobicContact CH2-CD 3.72Å; W240-K256 HydrophobicContact CH2-CG 4.06Å; W240-K256 HydrophobicContact CZ2-CD 4.15Å; W240-K256 HydrophobicContact CZ2-CG 4.41Å; W240-K256 HydrophobicContact CZ3-CB 3.57Å; W240-K256 HydrophobicContact CZ3-CD 4.01Å; W240-K256 HydrophobicContact CZ3-CG 3.91Å; K256-E265 HydrophobicContact CB-CB 4.41Å; K256-E265 VanDerWaalsContact CD-OE2 3.24Å; K256-E265 WeakPolarHBondContact CD-OE2 3.48Å; K256-E265 WeakPolarHBondContact CE-OE2 3.42Å; K256-E265 WeakPolarHBondContact CG-OE2 3.42Å; K256-E265 PolarHBondContact O-N 3.08Å; K256-Q266 PolarHBondContact N-O 2.95Å; K256-W268 HydrophobicContact CB-CH2 3.81Å; K256-W268 HydrophobicContact CB-CZ3 3.68Å; K256-W268 HydrophobicContact CD-CH2 4.45Å
257M94.8Very high93.6Very high3 Ų351.6 Ų51.62%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-119.7136.5-175.1-62.2-174.271.200110.9V197 F213 L232 L239 L241 T259 L262 D263V197-M257 HydrophobicContact CB-CE 4.24Å; V197-M257 HydrophobicContact CG1-CE 4.18Å; V197-M257 HydrophobicContact CG2-CE 4.21Å; V197-M257 HydrophobicContact CG2-SD 4.44Å; F213-M257 HydrophobicContact CE2-CE 4.05Å; F213-M257 HydrophobicContact CE2-SD 4.12Å; L232-M257 HydrophobicContact CD2-SD 4.29Å; L239-M257 HydrophobicContact CD2-CB 4.13Å; L239-M257 HydrophobicContact CG-CB 4.29Å; L239-M257 PolarHBondContact O-N 2.98Å; L241-M257 HydrophobicContact CB-CG 4.41Å; L241-M257 HydrophobicContact CB-SD 3.79Å; L241-M257 HydrophobicContact CD2-SD 4.31Å; M257-T259 PolarHBondContact O-N 3.06Å; M257-L262 HydrophobicContact CE-CB 3.93Å; M257-L262 HydrophobicContact CE-CD2 4.27Å; M257-L262 WeakPolarHBondContact CE-O 3.46Å; M257-D263 WeakPolarHBondContact CA-O 3.47Å
258D94.3Very high94Very high43 Ų4350 Ų5023%0.2327%0.274CS..  trans-66125.6170.1-179.5-86.2000109.5S260 T261 L262 D263 E265D258-S260 PolarHBondContact O-N 3.04Å; D258-S260 WeakPolarHBondContact OD1-CA 3.34Å; D258-S260 WeakPolarHBondContact OD1-CB 3.35Å; D258-S260 PolarHBondContact OD1-N 3.44Å; D258-S260 PolarHBondContact OD1-OG 2.89Å; D258-T261 PolarHBondContact OD1-N 3.37Å; D258-T261 PolarHBondContact OD1-OG1 3.48Å; D258-L262 WeakPolarHBondContact O-CA 3.38Å; D258-L262 PolarHBondContact O-N 3.05Å; D258-D263 PolarHBondContact N-O 3.38Å; D258-E265 HydrophobicContact CB-CG 4.39Å
259T93.1Very high94.3Very high48 Ų4848.9 Ų48.929%0.29426%0.26SS..THydrogen-bonded Turntrans-68.6-20-175.861.90000113.2Y180 Y185 K199 L239 M257Y180-T259 HydrophobicContact CD1-CG2 4.25Å; Y180-T259 HydrophobicContact CE1-CG2 4.17Å; Y185-T259 PolarHBondContact OH-O 3.39Å; K199-T259 WeakPolarHBondContact CE-O 3.39Å; K199-T259 PolarHBondContact NZ-O 3.07Å; L239-T259 HydrophobicContact CB-CG2 3.85Å; M257-T259 PolarHBondContact O-N 3.06Å
260S92.1Very high94.4Very high69 Ų6945.2 Ų45.248%0.48324%0.243SC..THydrogen-bonded Turntrans-88.3-50.3-176.7800000112.2K199 D258K199-S260 PolarHBondContact NZ-O 3.39Å; D258-S260 PolarHBondContact O-N 3.04Å; D258-S260 WeakPolarHBondContact OD1-CA 3.34Å; D258-S260 WeakPolarHBondContact OD1-CB 3.35Å; D258-S260 PolarHBondContact OD1-N 3.44Å; D258-S260 PolarHBondContact OD1-OG 2.89Å
261T93.4Very high94.3Very high55 Ų5547.3 Ų47.334%0.33725%0.246SC..THydrogen-bonded Turntrans-104.8-8.6-175.168.30000114.8D209 D258 D263D209-T261 VanDerWaalsContact OD2-C 3.3Å; D209-T261 WeakPolarHBondContact OD2-CA 3.31Å; D258-T261 PolarHBondContact OD1-N 3.37Å; D258-T261 PolarHBondContact OD1-OG1 3.48Å; T261-D263 VanDerWaalsContact CB-OD2 3.31Å; T261-D263 WeakPolarHBondContact CB-OD2 3.5Å; T261-D263 PolarHBondContact O-N 2.81Å; T261-D263 VanDerWaalsContact O-N 3.12Å; T261-D263 WeakPolarHBondContact OG1-CB 3.47Å; T261-D263 VanDerWaalsContact OG1-CG 3.23Å; T261-D263 PolarHBondContact OG1-N 3.21Å; T261-D263 PolarHBondContact OG1-OD2 3.09Å
262L95.3Very high94.3Very high1 Ų146.1 Ų46.11%0.00524%0.24CC..  trans6012.1-171-56.3179.2000114.8Y185 V197 K199 D209 A211 L239 M257 D258Y185-L262 HydrophobicContact CD1-CD2 3.67Å; Y185-L262 HydrophobicContact CE1-CD2 3.58Å; V197-L262 HydrophobicContact CG1-CD1 4.37Å; V197-L262 HydrophobicContact CG1-CD2 4.34Å; V197-L262 WeakPolarHBondContact O-CD1 3.44Å; K199-L262 HydrophobicContact CB-CD1 3.82Å; K199-L262 HydrophobicContact CB-CD2 4.18Å; K199-L262 HydrophobicContact CB-CG 4.23Å; K199-L262 HydrophobicContact CD-CD2 4.45Å; D209-L262 HydrophobicContact CB-CD1 3.99Å; D209-L262 HydrophobicContact CB-CG 4.29Å; A211-L262 HydrophobicContact CB-CB 3.6Å; A211-L262 HydrophobicContact CB-CD1 4.12Å; L239-L262 HydrophobicContact CD2-CD2 4.25Å; M257-L262 HydrophobicContact CE-CB 3.93Å; M257-L262 HydrophobicContact CE-CD2 4.27Å; M257-L262 WeakPolarHBondContact CE-O 3.46Å; D258-L262 WeakPolarHBondContact O-CA 3.38Å; D258-L262 PolarHBondContact O-N 3.05Å
263D94Very high94.3Very high103 Ų10349.1 Ų49.155%0.55126%0.259SS*.  trans-67.3147176.1-69.4-45.2000110.7M257 D258 T261 E265M257-D263 WeakPolarHBondContact CA-O 3.47Å; D258-D263 PolarHBondContact N-O 3.38Å; T261-D263 VanDerWaalsContact CB-OD2 3.31Å; T261-D263 WeakPolarHBondContact CB-OD2 3.5Å; T261-D263 PolarHBondContact O-N 2.81Å; T261-D263 VanDerWaalsContact O-N 3.12Å; T261-D263 WeakPolarHBondContact OG1-CB 3.47Å; T261-D263 VanDerWaalsContact OG1-CG 3.23Å; T261-D263 PolarHBondContact OG1-N 3.21Å; T261-D263 PolarHBondContact OG1-OD2 3.09Å; D263-E265 PolarHBondContact O-N 3.21Å
264I93.5Very high94.3Very high65 Ų6550.4 Ų50.433%0.33326%0.263SS..EExtended strand (participates in β ladder)trans-77.1118.9175-56.2172.8000108.2F213 A255 I267F213-I264 HydrophobicContact CD1-CD1 4.32Å; F213-I264 HydrophobicContact CD2-CD1 4.09Å; F213-I264 HydrophobicContact CD2-CG1 4.39Å; F213-I264 HydrophobicContact CE1-CD1 3.65Å; F213-I264 HydrophobicContact CE1-CG1 4.37Å; F213-I264 HydrophobicContact CE2-CD1 3.4Å; F213-I264 VanDerWaalsContact CE2-CD1 3.4Å; F213-I264 HydrophobicContact CE2-CG1 3.4Å; F213-I264 VanDerWaalsContact CE2-CG1 3.4Å; F213-I264 HydrophobicContact CZ-CD1 3.15Å; F213-I264 HydrophobicContact CZ-CG1 3.4Å; A255-I264 HydrophobicContact CB-CG2 4.25Å; I264-I267 HydrophobicContact CD1-CD1 4.34Å; I264-I267 HydrophobicContact CG2-CD1 3.97Å; I264-I267 HydrophobicContact CG2-CG1 3.54Å
265E93.2Very high94.2Very high99 Ų9952.1 Ų52.146%0.46328%0.28SS..EExtended strand (participates in β ladder)trans-80.2-49.6174.3-60.2-173.8148.900110.4K256 D258 D263K256-E265 HydrophobicContact CB-CB 4.41Å; K256-E265 VanDerWaalsContact CD-OE2 3.24Å; K256-E265 WeakPolarHBondContact CD-OE2 3.48Å; K256-E265 WeakPolarHBondContact CE-OE2 3.42Å; K256-E265 WeakPolarHBondContact CG-OE2 3.42Å; K256-E265 PolarHBondContact O-N 3.08Å; D258-E265 HydrophobicContact CB-CG 4.39Å; D263-E265 PolarHBondContact O-N 3.21Å
266Q93.2Very high94.1Very high95 Ų9556 Ų5644%0.44430%0.301SS..EExtended strand (participates in β ladder)trans-153.6155.8-174.1-67.3-174.529.300111.2A255 K256 W268A255-Q266 CarbonylContact C-O 3.46Å; A255-Q266 VanDerWaalsContact CA-O 3.27Å; A255-Q266 WeakPolarHBondContact CA-O 3.46Å; K256-Q266 PolarHBondContact N-O 2.95Å; Q266-W268 HydrophobicContact CB-CE3 4.36Å; Q266-W268 HydrophobicContact CB-CH2 3.3Å; Q266-W268 HydrophobicContact CB-CZ2 3.74Å; Q266-W268 HydrophobicContact CB-CZ3 3.63Å; Q266-W268 HydrophobicContact CG-CH2 4.26Å; Q266-W268 HydrophobicContact CG-CZ2 4.46Å; Q266-W268 WeakPolarHBondContact O-CZ3 3.34Å
267I94.1Very high94.2Very high92 Ų9254.2 Ų54.247%0.47229%0.293SS..EExtended strand (participates in β ladder)trans-133.3138.2178.9-55-179.1000109.5F243 L254 A255 I264F243-I267 HydrophobicContact CE1-CG2 4.44Å; F243-I267 HydrophobicContact CZ-CG2 4.17Å; L254-I267 CarbonylContact O-C 3.56Å; L254-I267 VanDerWaalsContact O-CA 3.29Å; L254-I267 WeakPolarHBondContact O-CA 3.36Å; A255-I267 HydrophobicContact CB-CG1 4.11Å; I264-I267 HydrophobicContact CD1-CD1 4.34Å; I264-I267 HydrophobicContact CG2-CD1 3.97Å; I264-I267 HydrophobicContact CG2-CG1 3.54Å
268W94.9Very high94.2Very high45 Ų4554.1 Ų54.117%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-126.2141.8176.2-59.1-101.9000111.2W240 S253 L254 K256 Q266 F305 V307W240-W268 HydrophobicContact CE3-CZ3 4.37Å; W240-W268 HydrophobicContact CH2-CH2 4.29Å; W240-W268 HydrophobicContact CZ3-CE3 4.37Å; W240-W268 AromaticContact CZ3-CH2 3.78Å; W240-W268 HydrophobicContact CZ3-CH2 3.78Å; W240-W268 AromaticContact CZ3-CZ3 3.6Å; W240-W268 HydrophobicContact CZ3-CZ3 3.6Å; S253-W268 WeakPolarHBondContact CA-O 3.29Å; L254-W268 HydrophobicContact CB-CB 4.46Å; L254-W268 HydrophobicContact CB-CE3 4.48Å; L254-W268 HydrophobicContact CD2-CE3 4.1Å; L254-W268 HydrophobicContact CG-CE3 4.28Å; L254-W268 PolarHBondContact N-O 3.07Å; L254-W268 PolarHBondContact O-N 2.84Å; K256-W268 HydrophobicContact CB-CH2 3.81Å; K256-W268 HydrophobicContact CB-CZ3 3.68Å; K256-W268 HydrophobicContact CD-CH2 4.45Å; Q266-W268 HydrophobicContact CB-CE3 4.36Å; Q266-W268 HydrophobicContact CB-CH2 3.3Å; Q266-W268 HydrophobicContact CB-CZ2 3.74Å; Q266-W268 HydrophobicContact CB-CZ3 3.63Å; Q266-W268 HydrophobicContact CG-CH2 4.26Å; Q266-W268 HydrophobicContact CG-CZ2 4.46Å; Q266-W268 WeakPolarHBondContact O-CZ3 3.34Å; W268-F305 HydrophobicContact CB-CE1 3.68Å; W268-F305 HydrophobicContact CB-CZ 3.79Å; W268-F305 AromaticContact CD1-CZ 3.94Å; W268-F305 AromaticContact CG-CE1 3.99Å; W268-F305 HydrophobicContact CG-CE1 3.99Å; W268-F305 HydrophobicContact CG-CZ 4.13Å; W268-V307 HydrophobicContact CD2-CB 4.43Å; W268-V307 HydrophobicContact CD2-CG1 3.91Å; W268-V307 HydrophobicContact CE3-CG1 4.23Å; W268-V307 HydrophobicContact CG-CG1 4.33Å; W268-V307 HydrophobicContact CH2-CG1 4.37Å; W268-V307 HydrophobicContact CZ2-CB 3.95Å; W268-V307 HydrophobicContact CZ2-CG1 4.07Å; W268-V307 HydrophobicContact CZ3-CG1 4.46Å
269D93Very high94.4Very high78 Ų7852 Ų5242%0.41728%0.281SS..EExtended strand (participates in β ladder)trans-90.4109.6163179.10.3000108.6Q271D269-Q271 PolarHBondContact O-N 2.78Å; D269-Q271 PolarHBondContact OD1-N 2.77Å; D269-Q271 PolarHBondContact OD1-NE2 2.71Å; D269-Q271 PolarHBondContact OD2-NE2 3.02Å
270T92.7Very high94.6Very high4 Ų449.8 Ų49.83%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-73.9-12.5-170.269.40000113.6I252 L254 C272 F305I252-T270 WeakPolarHBondContact O-CB 3.4Å; I252-T270 WeakPolarHBondContact O-CG2 3.5Å; I252-T270 PolarHBondContact O-N 3.37Å; I252-T270 PolarHBondContact O-OG1 2.8Å; L254-T270 HydrophobicContact CB-CG2 3.87Å; T270-C272 PolarHBondContact O-N 3.18Å; T270-C272 WeakPolarHBondContact OG1-CB 3.39Å; T270-C272 PolarHBondContact OG1-N 3.22Å; T270-C272 VanDerWaalsContact OG1-N 3.09Å; T270-F305 HydrophobicContact CG2-CB 4.34Å; T270-F305 HydrophobicContact CG2-CD1 3.73Å; T270-F305 HydrophobicContact CG2-CE1 4.23Å; T270-F305 HydrophobicContact CG2-CG 4.02Å; T270-F305 WeakPolarHBondContact O-CD2 3.34Å
271Q92.9Very high94.8Very high119 Ų11946.7 Ų46.756%0.55625%0.245SC*.EExtended strand (participates in β ladder)trans574.4-166.2-53.3-56.6-44.100114.8N251 D269 P273N251-Q271 PolarHBondContact ND2-OE1 3.47Å; D269-Q271 PolarHBondContact O-N 2.78Å; D269-Q271 PolarHBondContact OD1-N 2.77Å; D269-Q271 PolarHBondContact OD1-NE2 2.71Å; D269-Q271 PolarHBondContact OD2-NE2 3.02Å; Q271-P273 WeakPolarHBondContact O-CD 3.3Å
272C95.4Very high95Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-78.8120.1177.2-69.90000110.6N251 I252 T270 R274 V289 C303N251-C272 CarbonylContact C-O 3.47Å; N251-C272 VanDerWaalsContact CA-O 3.27Å; N251-C272 WeakPolarHBondContact CA-O 3.49Å; I252-C272 PolarHBondContact N-O 3.47Å; T270-C272 PolarHBondContact O-N 3.18Å; T270-C272 WeakPolarHBondContact OG1-CB 3.39Å; T270-C272 PolarHBondContact OG1-N 3.22Å; T270-C272 VanDerWaalsContact OG1-N 3.09Å; C272-R274 PolarHBondContact O-N 2.9Å; C272-V289 HydrophobicContact CB-CB 4.45Å; C272-V289 HydrophobicContact CB-CG2 3.7Å; C272-C303 WeakPolarHBondContact CA-SG 3.49Å; C272-C303 HydrophobicContact CB-CB 3.69Å; C272-C303 WeakPolarHBondContact CB-SG 3.36Å; C272-C303 WeakPolarHBondContact SG-CB 3.36Å; C272-C303 CovalentContact SG-SG 2.04Å; C272-C303 PolarHBondContact SG-SG 3.22Å
273P96Very high95Very high62 Ų6244 Ų4440%0.40323%0.229SC..EExtended strand (participates in β ladder)trans-63138.2-178.3-23.834.2000111.9P250 Q271 G275 Y291P250-P273 WeakPolarHBondContact O-CA 3.45Å; Q271-P273 WeakPolarHBondContact O-CD 3.3Å; P273-G275 VanDerWaalsContact C-N 3.29Å; P273-Y291 WeakPolarHBondContact CD-OH 3.4Å; P273-Y291 WeakPolarHBondContact O-CE1 3.29Å; P273-Y291 PolarHBondContact O-OH 3.06Å
274R95.1Very high94.9Very high39 Ų3939.1 Ų39.115%0.14720%0.203CC..  trans-78.9-15.5171.375.4-175.7-176.4101.43.2113.4S220 L221 T223 D247 E249 P250 I252 C272 N276 A277S220-R274 PolarHBondContact O-NH1 3.01Å; S220-R274 VanDerWaalsContact O-NH1 3.12Å; L221-R274 WeakPolarHBondContact O-CB 3.48Å; T223-R274 WeakPolarHBondContact CB-O 3.42Å; T223-R274 PolarHBondContact N-O 2.91Å; T223-R274 PolarHBondContact OG1-O 3.12Å; D247-R274 PolarHBondContact O-NH2 3Å; D247-R274 IonicContact OD1-CZ 3.48Å; D247-R274 IonicContact OD1-NH1 2.87Å; D247-R274 PolarHBondContact OD1-NH1 2.83Å; D247-R274 VanDerWaalsContact OD1-NH1 3.11Å; D247-R274 IonicContact OD1-NH2 3.29Å; D247-R274 PolarHBondContact OD1-NH2 2.77Å; E249-R274 WeakPolarHBondContact O-CD 3.48Å; E249-R274 PolarHBondContact O-NE 2.88Å; P250-R274 WeakPolarHBondContact O-CG 3.21Å; P250-R274 PolarHBondContact O-N 3.29Å; I252-R274 HydrophobicContact CG1-CB 3.99Å; C272-R274 PolarHBondContact O-N 2.9Å; R274-N276 PolarHBondContact O-N 3.2Å; R274-A277 WeakPolarHBondContact O-CB 3.44Å; R274-A277 PolarHBondContact O-N 3.3Å
275G95.1Very high94.9Very high35 Ų3536 Ų3636%0.36119%0.187SC..THydrogen-bonded Turntrans-63.6129.8177.100000110.8T223 P273 A277 Y291T223-G275 WeakPolarHBondContact OG1-CA 3.37Å; P273-G275 VanDerWaalsContact C-N 3.29Å; G275-A277 PolarHBondContact O-N 2.74Å; G275-Y291 WeakPolarHBondContact O-CD1 3.28Å; G275-Y291 VanDerWaalsContact O-CE1 3.31Å; G275-Y291 WeakPolarHBondContact O-CE1 3.38Å
276N95.3Very high94.9Very high83 Ų8331.3 Ų31.344%0.44417%0.165SC..THydrogen-bonded Turntrans60.25.1-176.4-65.4-23.5000115.8L224 R274 Y291 N292L224-N276 WeakPolarHBondContact CD1-O 3.43Å; R274-N276 PolarHBondContact O-N 3.2Å; N276-Y291 HydrophobicContact CB-CD1 4.31Å; N276-Y291 WeakPolarHBondContact O-CA 3.4Å; N276-N292 WeakPolarHBondContact CB-O 3.44Å; N276-N292 PolarHBondContact O-N 3Å
277A96.9Very high95Very high0 Ų026.8 Ų26.80%014%0.144CC..EExtended strand (participates in β ladder)trans-68.9135.6170.100000109.6Y222 T223 L224 I252 R274 G275 V289 V290 Y291Y222-A277 HydrophobicContact CD1-CB 3.88Å; T223-A277 PolarHBondContact N-O 3.18Å; L224-A277 WeakPolarHBondContact CB-O 3.32Å; L224-A277 PolarHBondContact N-O 3.27Å; L224-A277 VanDerWaalsContact N-O 3.1Å; I252-A277 HydrophobicContact CD1-CB 4.44Å; R274-A277 WeakPolarHBondContact O-CB 3.44Å; R274-A277 PolarHBondContact O-N 3.3Å; G275-A277 PolarHBondContact O-N 2.74Å; A277-V289 HydrophobicContact CB-CG1 3.81Å; A277-V290 WeakPolarHBondContact CA-O 3.5Å; A277-Y291 HydrophobicContact CB-CD1 4.25Å; A277-Y291 HydrophobicContact CB-CE1 4.01Å
278E95.6Very high95.2Very high1 Ų122.4 Ų22.41%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-104.9-37.3172.260.1173.6-162.900112.5Y222 L224 N225 V290 N292 S299 A327 H328Y222-E278 WeakPolarHBondContact CD2-O 3.32Å; L224-E278 HydrophobicContact CB-CB 4.15Å; L224-E278 HydrophobicContact CD1-CB 4.18Å; N225-E278 PolarHBondContact ND2-O 2.59Å; E278-V290 HydrophobicContact CG-CB 4.22Å; E278-V290 HydrophobicContact CG-CG1 3.92Å; E278-V290 WeakPolarHBondContact CG-O 3.27Å; E278-V290 PolarHBondContact N-O 2.71Å; E278-V290 WeakPolarHBondContact OE1-CG1 3.5Å; E278-N292 HydrophobicContact CB-CB 4.49Å; E278-N292 HydrophobicContact CG-CB 4.15Å; E278-N292 VanDerWaalsContact OE2-CB 3.27Å; E278-N292 WeakPolarHBondContact OE2-CB 3.33Å; E278-N292 PolarHBondContact OE2-ND2 2.83Å; E278-S299 WeakPolarHBondContact OE1-CB 3.41Å; E278-S299 PolarHBondContact OE1-OG 3.38Å; E278-A327 WeakPolarHBondContact OE2-CA 3.47Å; E278-H328 IonicContact OE1-CE1 3.1Å; E278-H328 IonicContact OE1-CG 3.11Å; E278-H328 IonicContact OE1-ND1 2.57Å; E278-H328 PolarHBondContact OE1-ND1 2.8Å; E278-H328 PolarHBondContact OE2-N 2.88Å
279A96.9Very high95.3Very high0 Ų020.3 Ų20.30%011%0.114CC..EExtended strand (participates in β ladder)trans-160167.3178.900000109.8V290 L331A279-V290 WeakPolarHBondContact O-CA 3.31Å; A279-V290 WeakPolarHBondContact O-CB 3.15Å; A279-V290 PolarHBondContact O-N 2.72Å; A279-L331 HydrophobicContact CB-CB 4.27Å; A279-L331 HydrophobicContact CB-CD1 4.07Å; A279-L331 HydrophobicContact CB-CG 4.27Å
280A97.7Very high95.5Very high1 Ų116.6 Ų16.61%0.0089%0.094CC..EExtended strand (participates in β ladder)trans-138.6168166.800000110Y222 L242 Y288 V289Y222-A280 HydrophobicContact CE1-CB 4.08Å; Y222-A280 VanDerWaalsContact OH-CB 3.28Å; Y222-A280 WeakPolarHBondContact OH-CB 3.44Å; Y222-A280 PolarHBondContact OH-N 3.42Å; L242-A280 HydrophobicContact CD2-CB 3.74Å; A280-Y288 VanDerWaalsContact CA-O 3.24Å; A280-Y288 WeakPolarHBondContact CA-O 3.35Å; A280-Y288 WeakPolarHBondContact CB-O 3.46Å; A280-V289 HydrophobicContact CB-CG2 4.18Å
281F97.4Very high95.6Very high3 Ų316.9 Ų16.91%0.0139%0.094CC..EExtended strand (participates in β ladder)trans-149.8161.9169.556.8-92000108.9I106 V283 Y288 V290 V301 F321 L331 L340I106-F281 HydrophobicContact CD1-CD2 4.44Å; I106-F281 HydrophobicContact CD1-CE2 3.37Å; I106-F281 HydrophobicContact CD1-CZ 3.91Å; F281-V283 HydrophobicContact CD2-CG2 3.98Å; F281-V283 HydrophobicContact CE2-CG2 4.14Å; F281-Y288 HydrophobicContact CD2-CD2 4.09Å; F281-Y288 HydrophobicContact CD2-CG 4.36Å; F281-Y288 VanDerWaalsContact CE2-CB 3.46Å; F281-Y288 HydrophobicContact CE2-CD1 4.41Å; F281-Y288 AromaticContact CE2-CD2 3.6Å; F281-Y288 HydrophobicContact CE2-CD2 3.6Å; F281-Y288 HydrophobicContact CE2-CE2 4.47Å; F281-Y288 AromaticContact CE2-CG 3.58Å; F281-Y288 HydrophobicContact CE2-CG 3.58Å; F281-Y288 VanDerWaalsContact CZ-CB 3.44Å; F281-Y288 HydrophobicContact CZ-CD2 4.38Å; F281-Y288 AromaticContact CZ-CG 3.89Å; F281-Y288 HydrophobicContact CZ-CG 3.89Å; F281-Y288 PolarHBondContact N-O 2.81Å; F281-Y288 VanDerWaalsContact N-O 3.11Å; F281-Y288 PolarHBondContact O-N 2.81Å; F281-V290 HydrophobicContact CD1-CG2 4.31Å; F281-V290 HydrophobicContact CE1-CG2 3.84Å; F281-V301 HydrophobicContact CE1-CG2 4.5Å; F281-V301 HydrophobicContact CZ-CG2 4.38Å; F281-F321 HydrophobicContact CE1-CZ 4.4Å; F281-L331 HydrophobicContact CD1-CB 4.26Å; F281-L331 HydrophobicContact CD1-CD1 4.38Å; F281-L340 HydrophobicContact CB-CD2 4.28Å; F281-L340 HydrophobicContact CD1-CD1 4.01Å; F281-L340 HydrophobicContact CD1-CD2 4.04Å; F281-L340 HydrophobicContact CD2-CD2 3.75Å; F281-L340 HydrophobicContact CE1-CD1 3.64Å; F281-L340 HydrophobicContact CE1-CD2 4.35Å; F281-L340 HydrophobicContact CE2-CD1 4.33Å; F281-L340 HydrophobicContact CE2-CD2 4.09Å; F281-L340 HydrophobicContact CG-CD1 4.49Å; F281-L340 HydrophobicContact CG-CD2 3.73Å; F281-L340 HydrophobicContact CZ-CD1 3.82Å; F281-L340 HydrophobicContact CZ-CD2 4.37Å
282V96.8Very high95.7Very high1 Ų111.4 Ų11.41%0.0067%0.069CC..EExtended strand (participates in β ladder)trans-116.5136.4180-172.10000108.5A233 D235 W240 L242 L254 T286 V287 Y333A233-V282 HydrophobicContact CB-CB 4.04Å; A233-V282 HydrophobicContact CB-CG2 3.67Å; D235-V282 WeakPolarHBondContact OD2-CG1 3.24Å; W240-V282 HydrophobicContact CB-CG2 4.22Å; W240-V282 HydrophobicContact CD2-CG1 4.34Å; W240-V282 HydrophobicContact CG-CB 4.45Å; W240-V282 HydrophobicContact CG-CG1 4.18Å; W240-V282 HydrophobicContact CG-CG2 4.32Å; L242-V282 HydrophobicContact CD1-CG2 4.11Å; L254-V282 HydrophobicContact CD1-CG2 4.26Å; V282-T286 WeakPolarHBondContact CA-O 3.11Å; V282-V287 HydrophobicContact CG2-CG2 4.16Å; V282-Y333 VanDerWaalsContact O-CD1 3.23Å; V282-Y333 WeakPolarHBondContact O-CD1 3.38Å
283V94.8Very high95.5Very high0 Ų013.6 Ų13.60%08%0.083CC..EExtended strand (participates in β ladder)trans-133.5120.8169.8179.70000106.8I106 F281 G285 T286 Y288 Y333I106-V283 HydrophobicContact CD1-CG2 3.81Å; I106-V283 HydrophobicContact CG1-CG2 4.27Å; F281-V283 HydrophobicContact CD2-CG2 3.98Å; F281-V283 HydrophobicContact CE2-CG2 4.14Å; V283-G285 VanDerWaalsContact C-N 3.34Å; V283-G285 PolarHBondContact O-N 2.87Å; V283-T286 PolarHBondContact N-O 3.1Å; V283-T286 WeakPolarHBondContact O-CA 3.39Å; V283-T286 VanDerWaalsContact O-CB 3.31Å; V283-T286 WeakPolarHBondContact O-CB 3.45Å; V283-T286 PolarHBondContact O-N 2.85Å; V283-Y288 HydrophobicContact CB-CE2 3.91Å; V283-Y288 HydrophobicContact CG2-CE2 4.25Å; V283-Y333 HydrophobicContact CB-CD1 4.4Å; V283-Y333 HydrophobicContact CB-CE1 4.11Å; V283-Y333 HydrophobicContact CG1-CE1 3.86Å; V283-Y333 HydrophobicContact CG1-CE2 4.36Å; V283-Y333 HydrophobicContact CG2-CD1 3.73Å; V283-Y333 HydrophobicContact CG2-CD2 3.75Å; V283-Y333 HydrophobicContact CG2-CE1 3.77Å; V283-Y333 HydrophobicContact CG2-CE2 3.83Å; V283-Y333 HydrophobicContact CG2-CG 3.69Å
284C92.6Very high95Very high0 Ų021.2 Ų21.20%010%0.103CC..THydrogen-bonded Turntrans57.545.9167.8-161.80000113.1C102 V103 E104 D235 T286 K358C102-C284 WeakPolarHBondContact CA-SG 3.39Å; C102-C284 HydrophobicContact CB-CB 4.11Å; C102-C284 WeakPolarHBondContact CB-SG 3.45Å; C102-C284 PolarHBondContact O-SG 2.72Å; C102-C284 WeakPolarHBondContact SG-CB 3.26Å; C102-C284 CovalentContact SG-SG 2.01Å; C102-C284 PolarHBondContact SG-SG 3.15Å; V103-C284 PolarHBondContact N-SG 3.02Å; V103-C284 VanDerWaalsContact N-SG 3.45Å; E104-C284 HydrophobicContact CB-CB 4.18Å; E104-C284 PolarHBondContact N-SG 3.22Å; E104-C284 WeakPolarHBondContact O-CB 3.36Å; D235-C284 WeakPolarHBondContact OD2-CA 3.4Å; D235-C284 PolarHBondContact OD2-N 3.33Å; C284-T286 PolarHBondContact O-N 3.13Å; C284-T286 VanDerWaalsContact O-N 3.12Å; C284-K358 PolarHBondContact O-NZ 2.71Å
285G92.7Very high94.6Very high0 Ų027.4 Ų27.40%014%0.136CC..THydrogen-bonded Turntrans70.91.5-175.400000114.7D235 E237 V283 V307D235-G285 PolarHBondContact OD2-N 3.3Å; E237-G285 PolarHBondContact OE1-N 2.82Å; V283-G285 VanDerWaalsContact C-N 3.34Å; V283-G285 PolarHBondContact O-N 2.87Å; G285-V307 WeakPolarHBondContact O-CG1 3.19Å; G285-V307 VanDerWaalsContact O-CG2 3.28Å; G285-V307 WeakPolarHBondContact O-CG2 3.42Å; G285-V307 PolarHBondContact O-N 2.96Å; G285-V307 VanDerWaalsContact O-N 3.1Å
286T94Very high94.1Very high0 Ų028.1 Ų28.10%014%0.139CC..EExtended strand (participates in β ladder)trans-104.1121.8178.9-51.80000110.9V282 V283 C284 Y288 V304 F305 D306 M311 K358V282-T286 WeakPolarHBondContact CA-O 3.11Å; V283-T286 PolarHBondContact N-O 3.1Å; V283-T286 WeakPolarHBondContact O-CA 3.39Å; V283-T286 VanDerWaalsContact O-CB 3.31Å; V283-T286 WeakPolarHBondContact O-CB 3.45Å; V283-T286 PolarHBondContact O-N 2.85Å; C284-T286 PolarHBondContact O-N 3.13Å; C284-T286 VanDerWaalsContact O-N 3.12Å; T286-Y288 HydrophobicContact CG2-CD2 4.31Å; T286-Y288 HydrophobicContact CG2-CE1 4.46Å; T286-Y288 HydrophobicContact CG2-CE2 3.63Å; T286-Y288 WeakPolarHBondContact O-CD2 3.47Å; T286-Y288 VanDerWaalsContact O-CE2 3.23Å; T286-Y288 WeakPolarHBondContact O-CE2 3.24Å; T286-V304 HydrophobicContact CG2-CG1 3.31Å; T286-F305 CarbonylContact C-O 3.36Å; T286-F305 VanDerWaalsContact CA-O 3.31Å; T286-F305 WeakPolarHBondContact CA-O 3.33Å; T286-D306 HydrophobicContact CG2-CB 4.29Å; T286-D306 PolarHBondContact OG1-OD1 3.36Å; T286-M311 HydrophobicContact CG2-CE 3.7Å; T286-M311 WeakPolarHBondContact OG1-CE 3.32Å; T286-K358 WeakPolarHBondContact OG1-CE 3.45Å; T286-K358 PolarHBondContact OG1-NZ 3.23Å; T286-K358 VanDerWaalsContact OG1-NZ 3.1Å
287V95.9Very high93.8Very high0 Ų025.7 Ų25.70%013%0.128CC..EExtended strand (participates in β ladder)trans-82.1132174.1-178.70000109.9L242 L254 V282 V289 V304 F305L242-V287 HydrophobicContact CD2-CG1 3.67Å; L254-V287 HydrophobicContact CB-CG2 4.45Å; L254-V287 HydrophobicContact CD1-CG2 3.79Å; L254-V287 HydrophobicContact CD2-CG2 3.57Å; L254-V287 HydrophobicContact CG-CG2 4.13Å; V282-V287 HydrophobicContact CG2-CG2 4.16Å; V287-V289 HydrophobicContact CG1-CG2 3.9Å; V287-V304 CarbonylContact O-C 3.6Å; V287-V304 VanDerWaalsContact O-CA 3.22Å; V287-V304 WeakPolarHBondContact O-CA 3.41Å; V287-F305 HydrophobicContact CB-CB 4.34Å; V287-F305 HydrophobicContact CG2-CD1 4.41Å; V287-F305 PolarHBondContact N-O 3.24Å; V287-F305 PolarHBondContact O-N 3Å
288Y96.8Very high93.5Very high0 Ų028 Ų280%014%0.137CC..EExtended strand (participates in β ladder)trans-119.3112.4173-60.3-103000108.7I105 I106 A280 F281 V283 T286 V301 V304 P317I105-Y288 WeakPolarHBondContact CA-OH 3.34Å; I105-Y288 WeakPolarHBondContact CG1-OH 3.31Å; I106-Y288 HydrophobicContact CB-CE1 3.94Å; I106-Y288 HydrophobicContact CD1-CD1 4.33Å; I106-Y288 HydrophobicContact CD1-CD2 4.29Å; I106-Y288 HydrophobicContact CD1-CE1 4.14Å; I106-Y288 HydrophobicContact CD1-CE2 4.13Å; I106-Y288 HydrophobicContact CD1-CG 4.41Å; I106-Y288 HydrophobicContact CG1-CE1 4.19Å; I106-Y288 HydrophobicContact CG1-CE2 4.37Å; I106-Y288 PolarHBondContact N-OH 2.89Å; A280-Y288 VanDerWaalsContact CA-O 3.24Å; A280-Y288 WeakPolarHBondContact CA-O 3.35Å; A280-Y288 WeakPolarHBondContact CB-O 3.46Å; F281-Y288 HydrophobicContact CD2-CD2 4.09Å; F281-Y288 HydrophobicContact CD2-CG 4.36Å; F281-Y288 VanDerWaalsContact CE2-CB 3.46Å; F281-Y288 HydrophobicContact CE2-CD1 4.41Å; F281-Y288 AromaticContact CE2-CD2 3.6Å; F281-Y288 HydrophobicContact CE2-CD2 3.6Å; F281-Y288 HydrophobicContact CE2-CE2 4.47Å; F281-Y288 AromaticContact CE2-CG 3.58Å; F281-Y288 HydrophobicContact CE2-CG 3.58Å; F281-Y288 VanDerWaalsContact CZ-CB 3.44Å; F281-Y288 HydrophobicContact CZ-CD2 4.38Å; F281-Y288 AromaticContact CZ-CG 3.89Å; F281-Y288 HydrophobicContact CZ-CG 3.89Å; F281-Y288 PolarHBondContact N-O 2.81Å; F281-Y288 VanDerWaalsContact N-O 3.11Å; F281-Y288 PolarHBondContact O-N 2.81Å; V283-Y288 HydrophobicContact CB-CE2 3.91Å; V283-Y288 HydrophobicContact CG2-CE2 4.25Å; T286-Y288 HydrophobicContact CG2-CD2 4.31Å; T286-Y288 HydrophobicContact CG2-CE1 4.46Å; T286-Y288 HydrophobicContact CG2-CE2 3.63Å; T286-Y288 WeakPolarHBondContact O-CD2 3.47Å; T286-Y288 VanDerWaalsContact O-CE2 3.23Å; T286-Y288 WeakPolarHBondContact O-CE2 3.24Å; Y288-V301 HydrophobicContact CD1-CG1 4.09Å; Y288-V304 HydrophobicContact CD1-CG1 4.13Å; Y288-V304 HydrophobicContact CD1-CG2 3.77Å; Y288-V304 HydrophobicContact CE1-CG1 3.99Å; Y288-V304 HydrophobicContact CE1-CG2 4.2Å; Y288-P317 HydrophobicContact CE1-CG 4.2Å
289V97.5Very high93.4Very high0 Ų027.9 Ų27.90%014%0.136CC..EExtended strand (participates in β ladder)trans-96125.5179.5-172.20000109.9I252 C272 A277 A280 V287 Y291 V301 Q302 C303I252-V289 HydrophobicContact CD1-CG1 3.71Å; I252-V289 HydrophobicContact CD1-CG2 3.93Å; C272-V289 HydrophobicContact CB-CB 4.45Å; C272-V289 HydrophobicContact CB-CG2 3.7Å; A277-V289 HydrophobicContact CB-CG1 3.81Å; A280-V289 HydrophobicContact CB-CG2 4.18Å; V287-V289 HydrophobicContact CG1-CG2 3.9Å; V289-Y291 HydrophobicContact CB-CE2 3.68Å; V289-Y291 HydrophobicContact CG1-CD2 4.27Å; V289-Y291 HydrophobicContact CG1-CE1 4.24Å; V289-Y291 HydrophobicContact CG1-CE2 3.56Å; V289-Y291 WeakPolarHBondContact CG1-OH 3.27Å; V289-Y291 VanDerWaalsContact O-CD2 3.3Å; V289-Y291 WeakPolarHBondContact O-CD2 3.44Å; V289-Y291 WeakPolarHBondContact O-CE2 3.49Å; V289-V301 WeakPolarHBondContact O-CA 3.32Å; V289-Q302 PolarHBondContact O-N 3.38Å; V289-C303 HydrophobicContact CB-CB 4.31Å; V289-C303 PolarHBondContact N-O 2.82Å
290V96.7Very high93.2Very high0 Ų029.2 Ų29.20%014%0.141CC..EExtended strand (participates in β ladder)trans-96.3125-179-172.90000109.6A277 E278 A279 F281 R300 V301 F321 L331A277-V290 WeakPolarHBondContact CA-O 3.5Å; E278-V290 HydrophobicContact CG-CB 4.22Å; E278-V290 HydrophobicContact CG-CG1 3.92Å; E278-V290 WeakPolarHBondContact CG-O 3.27Å; E278-V290 PolarHBondContact N-O 2.71Å; E278-V290 WeakPolarHBondContact OE1-CG1 3.5Å; A279-V290 WeakPolarHBondContact O-CA 3.31Å; A279-V290 WeakPolarHBondContact O-CB 3.15Å; A279-V290 PolarHBondContact O-N 2.72Å; F281-V290 HydrophobicContact CD1-CG2 4.31Å; F281-V290 HydrophobicContact CE1-CG2 3.84Å; V290-R300 WeakPolarHBondContact CA-O 3.38Å; V290-V301 HydrophobicContact CG2-CG2 4.05Å; V290-F321 HydrophobicContact CB-CE2 4.46Å; V290-F321 HydrophobicContact CG1-CD2 4.3Å; V290-F321 HydrophobicContact CG1-CE2 3.69Å; V290-F321 HydrophobicContact CG1-CZ 4.36Å; V290-F321 HydrophobicContact CG2-CE2 3.83Å; V290-F321 HydrophobicContact CG2-CZ 3.97Å; V290-L331 HydrophobicContact CB-CD1 4.3Å; V290-L331 HydrophobicContact CG1-CD1 4.45Å; V290-L331 HydrophobicContact CG2-CD1 3.7Å
291Y95.6Very high93.1Very high10 Ų1029.1 Ų29.14%0.03914%0.141CC..EExtended strand (participates in β ladder)trans-111.5150.1-179.3-63.8-92.1000111.3P273 G275 N276 A277 V289 R300 Q302 C303P273-Y291 WeakPolarHBondContact CD-OH 3.4Å; P273-Y291 WeakPolarHBondContact O-CE1 3.29Å; P273-Y291 PolarHBondContact O-OH 3.06Å; G275-Y291 WeakPolarHBondContact O-CD1 3.28Å; G275-Y291 VanDerWaalsContact O-CE1 3.31Å; G275-Y291 WeakPolarHBondContact O-CE1 3.38Å; N276-Y291 HydrophobicContact CB-CD1 4.31Å; N276-Y291 WeakPolarHBondContact O-CA 3.4Å; A277-Y291 HydrophobicContact CB-CD1 4.25Å; A277-Y291 HydrophobicContact CB-CE1 4.01Å; V289-Y291 HydrophobicContact CB-CE2 3.68Å; V289-Y291 HydrophobicContact CG1-CD2 4.27Å; V289-Y291 HydrophobicContact CG1-CE1 4.24Å; V289-Y291 HydrophobicContact CG1-CE2 3.56Å; V289-Y291 WeakPolarHBondContact CG1-OH 3.27Å; V289-Y291 VanDerWaalsContact O-CD2 3.3Å; V289-Y291 WeakPolarHBondContact O-CD2 3.44Å; V289-Y291 WeakPolarHBondContact O-CE2 3.49Å; Y291-R300 PolarHBondContact N-O 3.48Å; Y291-R300 PolarHBondContact O-N 3.44Å; Y291-R300 VanDerWaalsContact O-N 3.08Å; Y291-Q302 HydrophobicContact CD2-CB 3.58Å; Y291-Q302 HydrophobicContact CD2-CG 4.03Å; Y291-Q302 HydrophobicContact CE2-CB 4.01Å; Y291-Q302 HydrophobicContact CG-CB 4.33Å; Y291-Q302 HydrophobicContact CG-CG 4.43Å; Y291-C303 HydrophobicContact CE2-CB 3.72Å
292N94.9Very high92.8Very high5 Ų533.6 Ų33.63%0.02716%0.162CC..  trans-150.9-173.7176.7-157.7-18.3000109.5L224 N276 E278 S297 S299 G326L224-N292 HydrophobicContact CD1-CB 3.75Å; L224-N292 WeakPolarHBondContact CD1-O 3.33Å; N276-N292 WeakPolarHBondContact CB-O 3.44Å; N276-N292 PolarHBondContact O-N 3Å; E278-N292 HydrophobicContact CB-CB 4.49Å; E278-N292 HydrophobicContact CG-CB 4.15Å; E278-N292 VanDerWaalsContact OE2-CB 3.27Å; E278-N292 WeakPolarHBondContact OE2-CB 3.33Å; E278-N292 PolarHBondContact OE2-ND2 2.83Å; N292-S297 PolarHBondContact OD1-N 3.44Å; N292-S297 PolarHBondContact OD1-OG 3.14Å; N292-S297 VanDerWaalsContact OD1-OG 3.1Å; N292-S299 PolarHBondContact ND2-OG 2.81Å; N292-G326 PolarHBondContact ND2-O 3.1Å
293T91.5Very high92.6Very high46 Ų4634.8 Ų34.828%0.28217%0.17SC..  trans-112.7155176.744.20000110M295 S297T293-M295 CarbonylContact C-O 3.59Å; T293-M295 WeakPolarHBondContact CB-O 3.26Å; T293-M295 CarbonylContact O-C 3.56Å; T293-M295 VanDerWaalsContact O-C 3.28Å; T293-M295 PolarHBondContact O-N 3.08Å; T293-M295 PolarHBondContact OG1-O 2.97Å; T293-S297 VanDerWaalsContact OG1-CB 3.32Å; T293-S297 WeakPolarHBondContact OG1-CB 3.43Å; T293-S297 PolarHBondContact OG1-OG 3.14Å
294R85.3Confident92.6Very high221 Ų22136.1 Ų36.183%0.83418%0.178SC*.SBendtrans-54.1-40.4178.2-79.5-171.7176.1167.6-0.3113L224L224-R294 HydrophobicContact CD2-CG 3.86Å
295M86.4Confident92.6Very high169 Ų16937.8 Ų37.883%0.83319%0.185SC*.SBendtrans-85.4110.7162.3-67.9179.5173.200106.1T293 S297T293-M295 CarbonylContact C-O 3.59Å; T293-M295 WeakPolarHBondContact CB-O 3.26Å; T293-M295 CarbonylContact O-C 3.56Å; T293-M295 VanDerWaalsContact O-C 3.28Å; T293-M295 PolarHBondContact O-N 3.08Å; T293-M295 PolarHBondContact OG1-O 2.97Å; M295-S297 PolarHBondContact O-N 2.95Å
296A84.3Confident92.6Very high51 Ų5138.1 Ų38.142%0.42119%0.187SC..  trans-51.5125.3-172.100000111.4A327A296-A327 HydrophobicContact CB-CB 4.21Å
297S88.9Confident92.4Very high32 Ų3238.9 Ų38.922%0.22419%0.192CC..  trans-119.3-152.6172.567.20000108.8N292 T293 M295 S299 Y325N292-S297 PolarHBondContact OD1-N 3.44Å; N292-S297 PolarHBondContact OD1-OG 3.14Å; N292-S297 VanDerWaalsContact OD1-OG 3.1Å; T293-S297 VanDerWaalsContact OG1-CB 3.32Å; T293-S297 WeakPolarHBondContact OG1-CB 3.43Å; T293-S297 PolarHBondContact OG1-OG 3.14Å; M295-S297 PolarHBondContact O-N 2.95Å; S297-S299 PolarHBondContact O-N 2.85Å; S297-Y325 WeakPolarHBondContact O-CA 3.34Å
298R90.7Very high91.9Very high47 Ų4741.2 Ų41.218%0.17720%0.204CC..  trans-81.7112.6179-170.9176.7-177.6-171.6-6.2109.4D55 E58 Y320 F321 Y325D55-R298 IonicContact OD1-CZ 2.8Å; D55-R298 IonicContact OD1-NH1 2.78Å; D55-R298 PolarHBondContact OD1-NH1 3.49Å; E58-R298 IonicContact OE2-NH1 3.74Å; E58-R298 PolarHBondContact OE2-NH1 2.75Å; R298-Y320 HydrophobicContact CG-CD1 4.18Å; R298-F321 PolarHBondContact NE-O 3.1Å; R298-Y325 HydrophobicContact CB-CD1 4.13Å; R298-Y325 HydrophobicContact CB-CE1 3.96Å
299S93.6Very high91Very high0 Ų047.5 Ų47.50%024%0.238CC..  trans-56.5139.4174.4-55.40000111.5E278 N292 S297 F321 H328E278-S299 WeakPolarHBondContact OE1-CB 3.41Å; E278-S299 PolarHBondContact OE1-OG 3.38Å; N292-S299 PolarHBondContact ND2-OG 2.81Å; S297-S299 PolarHBondContact O-N 2.85Å; S299-F321 WeakPolarHBondContact O-CD2 3.44Å; S299-F321 PolarHBondContact O-N 2.86Å; S299-H328 PolarHBondContact OG-CE1 2.84Å; S299-H328 VanDerWaalsContact OG-CE1 3.3Å; S299-H328 PolarHBondContact OG-ND1 3.38Å
300R93.6Very high89.5Confident27 Ų2749.6 Ų49.610%0.10225%0.248CC..EExtended strand (participates in β ladder)trans-147.3139.7-176.548.9-171.2163.4175.6-8.8112E51 V290 Y291 Q302 L319 Y320E51-R300 VanDerWaalsContact CD-NH1 3.29Å; E51-R300 IonicContact OE1-NH1 3.96Å; E51-R300 PolarHBondContact OE1-NH1 3.45Å; E51-R300 VanDerWaalsContact OE1-NH1 3.1Å; E51-R300 IonicContact OE2-CZ 2.66Å; E51-R300 IonicContact OE2-NH1 3.79Å; E51-R300 PolarHBondContact OE2-NH1 3.35Å; E51-R300 IonicContact OE2-NH2 3.33Å; E51-R300 PolarHBondContact OE2-NH2 2.65Å; V290-R300 WeakPolarHBondContact CA-O 3.38Å; Y291-R300 PolarHBondContact N-O 3.48Å; Y291-R300 PolarHBondContact O-N 3.44Å; Y291-R300 VanDerWaalsContact O-N 3.08Å; R300-Q302 HydrophobicContact CB-CG 4.45Å; R300-Q302 VanDerWaalsContact CD-NE2 3.27Å; R300-Q302 HydrophobicContact CG-CG 3.87Å; R300-Q302 VanDerWaalsContact NE-NE2 3.11Å; R300-L319 CarbonylContact C-O 3.52Å; R300-L319 WeakPolarHBondContact CA-O 3.38Å; R300-L319 WeakPolarHBondContact CB-O 3.39Å; R300-Y320 HydrophobicContact CB-CD1 3.86Å; R300-Y320 HydrophobicContact CB-CE1 4Å; R300-Y320 HydrophobicContact CB-CG 4.41Å; R300-Y320 HydrophobicContact CG-CE1 4.48Å
301V94.9Very high88.1Confident0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-79.2119.2167.7-179.60000107.6F281 Y288 V289 V290 V304 L318 L319 F321F281-V301 HydrophobicContact CE1-CG2 4.5Å; F281-V301 HydrophobicContact CZ-CG2 4.38Å; Y288-V301 HydrophobicContact CD1-CG1 4.09Å; V289-V301 WeakPolarHBondContact O-CA 3.32Å; V290-V301 HydrophobicContact CG2-CG2 4.05Å; V301-V304 HydrophobicContact CG1-CG2 3.68Å; V301-L318 WeakPolarHBondContact O-CD1 3.45Å; V301-L319 HydrophobicContact CB-CB 3.96Å; V301-L319 HydrophobicContact CB-CG 4.44Å; V301-L319 HydrophobicContact CG2-CB 4.03Å; V301-L319 HydrophobicContact CG2-CD1 4.27Å; V301-L319 PolarHBondContact N-O 3.48Å; V301-L319 PolarHBondContact O-N 3.31Å; V301-F321 HydrophobicContact CG2-CE2 4.3Å
302Q91.1Very high86.5Confident96 Ų9654.7 Ų54.745%0.44928%0.275SS..EExtended strand (participates in β ladder)trans-119.1-22.1179.2-59.1-177.2-35.600113.2V289 Y291 R300 L318V289-Q302 PolarHBondContact O-N 3.38Å; Y291-Q302 HydrophobicContact CD2-CB 3.58Å; Y291-Q302 HydrophobicContact CD2-CG 4.03Å; Y291-Q302 HydrophobicContact CE2-CB 4.01Å; Y291-Q302 HydrophobicContact CG-CB 4.33Å; Y291-Q302 HydrophobicContact CG-CG 4.43Å; R300-Q302 HydrophobicContact CB-CG 4.45Å; R300-Q302 VanDerWaalsContact CD-NE2 3.27Å; R300-Q302 HydrophobicContact CG-CG 3.87Å; R300-Q302 VanDerWaalsContact NE-NE2 3.11Å; Q302-L318 HydrophobicContact CG-CD1 4.01Å
303C93.6Very high84.9Confident27 Ų2760.9 Ų60.918%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-123.1132.3176.1-168.10000109.7C272 V289 Y291C272-C303 WeakPolarHBondContact CA-SG 3.49Å; C272-C303 HydrophobicContact CB-CB 3.69Å; C272-C303 WeakPolarHBondContact CB-SG 3.36Å; C272-C303 WeakPolarHBondContact SG-CB 3.36Å; C272-C303 CovalentContact SG-SG 2.04Å; C272-C303 PolarHBondContact SG-SG 3.22Å; V289-C303 HydrophobicContact CB-CB 4.31Å; V289-C303 PolarHBondContact N-O 2.82Å; Y291-C303 HydrophobicContact CE2-CB 3.72Å
304V94Very high83.4Confident28 Ų2868 Ų6817%0.1734%0.343CS..EExtended strand (participates in β ladder)trans-132.6132.3179.1-177.70000107.3T286 V287 Y288 V301 A316 P317T286-V304 HydrophobicContact CG2-CG1 3.31Å; V287-V304 CarbonylContact O-C 3.6Å; V287-V304 VanDerWaalsContact O-CA 3.22Å; V287-V304 WeakPolarHBondContact O-CA 3.41Å; Y288-V304 HydrophobicContact CD1-CG1 4.13Å; Y288-V304 HydrophobicContact CD1-CG2 3.77Å; Y288-V304 HydrophobicContact CE1-CG1 3.99Å; Y288-V304 HydrophobicContact CE1-CG2 4.2Å; V301-V304 HydrophobicContact CG1-CG2 3.68Å; V304-A316 HydrophobicContact CB-CB 4.24Å; V304-P317 HydrophobicContact CG2-CG 4.48Å
305F93Very high82.4Confident34 Ų3459.5 Ų59.515%0.14931%0.313CS..EExtended strand (participates in β ladder)trans-132.4126-179.7173.7-94.7000109.3W268 T270 T286 V287 V307W268-F305 HydrophobicContact CB-CE1 3.68Å; W268-F305 HydrophobicContact CB-CZ 3.79Å; W268-F305 AromaticContact CD1-CZ 3.94Å; W268-F305 AromaticContact CG-CE1 3.99Å; W268-F305 HydrophobicContact CG-CE1 3.99Å; W268-F305 HydrophobicContact CG-CZ 4.13Å; T270-F305 HydrophobicContact CG2-CB 4.34Å; T270-F305 HydrophobicContact CG2-CD1 3.73Å; T270-F305 HydrophobicContact CG2-CE1 4.23Å; T270-F305 HydrophobicContact CG2-CG 4.02Å; T270-F305 WeakPolarHBondContact O-CD2 3.34Å; T286-F305 CarbonylContact C-O 3.36Å; T286-F305 VanDerWaalsContact CA-O 3.31Å; T286-F305 WeakPolarHBondContact CA-O 3.33Å; V287-F305 HydrophobicContact CB-CB 4.34Å; V287-F305 HydrophobicContact CG2-CD1 4.41Å; V287-F305 PolarHBondContact N-O 3.24Å; V287-F305 PolarHBondContact O-N 3Å; F305-V307 HydrophobicContact CE1-CG1 4.08Å
306D91.6Very high81.5Confident8 Ų853.6 Ų53.64%0.04329%0.291CS..EExtended strand (participates in β ladder)trans-109.2121-178.8-172.330.7000110.2T286 N308 D309 M310 M311 K358T286-D306 HydrophobicContact CG2-CB 4.29Å; T286-D306 PolarHBondContact OG1-OD1 3.36Å; D306-N308 PolarHBondContact O-N 3.36Å; D306-N308 VanDerWaalsContact O-N 3.16Å; D306-D309 PolarHBondContact O-N 2.66Å; D306-M310 PolarHBondContact OD2-N 3.02Å; D306-M311 HydrophobicContact CB-CB 4.22Å; D306-M311 HydrophobicContact CB-CG 3.97Å; D306-K358 IonicContact OD1-NZ 3.22Å; D306-K358 PolarHBondContact OD1-NZ 2.67Å; D306-K358 IonicContact OD2-NZ 2.88Å; D306-K358 PolarHBondContact OD2-NZ 2.86Å
307V91Very high81.1Confident16 Ų1652.2 Ų52.210%0.09728%0.278CS..THydrogen-bonded Turntrans-63.3-22.8-177-64.90000113.8W240 L254 W268 G285 F305W240-V307 HydrophobicContact CH2-CG1 4.1Å; W240-V307 HydrophobicContact CH2-CG2 4.1Å; W240-V307 HydrophobicContact CZ3-CG1 3.97Å; L254-V307 HydrophobicContact CD2-CG1 3.43Å; L254-V307 VanDerWaalsContact CD2-CG1 3.43Å; W268-V307 HydrophobicContact CD2-CB 4.43Å; W268-V307 HydrophobicContact CD2-CG1 3.91Å; W268-V307 HydrophobicContact CE3-CG1 4.23Å; W268-V307 HydrophobicContact CG-CG1 4.33Å; W268-V307 HydrophobicContact CH2-CG1 4.37Å; W268-V307 HydrophobicContact CZ2-CB 3.95Å; W268-V307 HydrophobicContact CZ2-CG1 4.07Å; W268-V307 HydrophobicContact CZ3-CG1 4.46Å; G285-V307 WeakPolarHBondContact O-CG1 3.19Å; G285-V307 VanDerWaalsContact O-CG2 3.28Å; G285-V307 WeakPolarHBondContact O-CG2 3.42Å; G285-V307 PolarHBondContact O-N 2.96Å; G285-V307 VanDerWaalsContact O-N 3.1Å; F305-V307 HydrophobicContact CE1-CG1 4.08Å
308N84.2Confident81Confident48 Ų4855.4 Ų55.426%0.25729%0.292SS..THydrogen-bonded Turntrans-92.4-1.3-179.5-61.7-44.6000112.6D306 M310D306-N308 PolarHBondContact O-N 3.36Å; D306-N308 VanDerWaalsContact O-N 3.16Å; N308-M310 HydrophobicContact CB-CB 4.47Å; N308-M310 HydrophobicContact CB-CE 4.1Å; N308-M310 HydrophobicContact CB-CG 3.77Å; N308-M310 HydrophobicContact CB-SD 3.99Å; N308-M310 PolarHBondContact O-N 3.33Å
309D78Confident81Confident132 Ų13253.7 Ų53.771%0.70629%0.286SS*.  trans48.924.2-174-74-40.1000113.6D306 M311D306-D309 PolarHBondContact O-N 2.66Å; D309-M311 PolarHBondContact O-N 3.07Å
310M66.6Low80.9Confident44 Ų4456.9 Ų56.922%0.21730%0.299CS..  trans-78.8-7.6-178.5-69.2-179.3177.900112V99 D306 N308 L360V99-M310 HydrophobicContact CG1-CE 3.75Å; D306-M310 PolarHBondContact OD2-N 3.02Å; N308-M310 HydrophobicContact CB-CB 4.47Å; N308-M310 HydrophobicContact CB-CE 4.1Å; N308-M310 HydrophobicContact CB-CG 3.77Å; N308-M310 HydrophobicContact CB-SD 3.99Å; N308-M310 PolarHBondContact O-N 3.33Å; M310-L360 HydrophobicContact CG-CD2 4.4Å; M310-L360 HydrophobicContact SD-CD2 3.83Å
311M67.2Low80.9Confident30 Ų3055.6 Ų55.615%0.14829%0.294CS..SBendtrans-98.6128.1179.9-67.2-142.3-15700112.7I105 T286 D306 D309 K358I105-M311 HydrophobicContact CB-CE 3.53Å; I105-M311 HydrophobicContact CB-SD 4.44Å; I105-M311 HydrophobicContact CD1-CE 3.45Å; I105-M311 VanDerWaalsContact CD1-CE 3.45Å; I105-M311 HydrophobicContact CD1-SD 3.21Å; I105-M311 WeakPolarHBondContact CD1-SD 3.22Å; I105-M311 HydrophobicContact CG1-CE 3.44Å; I105-M311 VanDerWaalsContact CG1-CE 3.44Å; I105-M311 HydrophobicContact CG1-SD 3.94Å; T286-M311 HydrophobicContact CG2-CE 3.7Å; T286-M311 WeakPolarHBondContact OG1-CE 3.32Å; D306-M311 HydrophobicContact CB-CB 4.22Å; D306-M311 HydrophobicContact CB-CG 3.97Å; D309-M311 PolarHBondContact O-N 3.07Å; M311-K358 HydrophobicContact CE-CD 3.87Å; M311-K358 HydrophobicContact CE-CG 3.91Å; M311-K358 HydrophobicContact CG-CD 4.4Å
312L62Low80.5Confident88 Ų8856.7 Ų56.746%0.46130%0.301SS..  trans-67.7135.5164.9-63.8170.2000109.6E314 E315 A361L312-E314 PolarHBondContact O-N 3.22Å; L312-E315 HydrophobicContact CB-CG 4.42Å; L312-E315 WeakPolarHBondContact O-CB 3.2Å; L312-E315 PolarHBondContact O-N 3.1Å; L312-A361 HydrophobicContact CD2-CB 3.91Å; L312-A361 HydrophobicContact CG-CB 4.14Å
313T61.3Low79.5Confident135 Ų13562 Ų6283%0.82832%0.317SS*.G310 helixtrans-55.7-27.8178.6-470000112.7E315 A316T313-E315 VanDerWaalsContact C-N 3.25Å; T313-E315 PolarHBondContact O-N 3.43Å; T313-A316 PolarHBondContact O-N 3.16Å
314E59.7Low78.4Confident194 Ų19462 Ų6291%0.90731%0.313SS*.G310 helixtrans-71.9-14.8176.7-60.2-17217100113.7L312L312-E314 PolarHBondContact O-N 3.22Å
315E63.5Low77.5Confident43 Ų4366 Ų6620%0.20133%0.326CS..G310 helixtrans-95.7-7.1178.2-71.3-160-155.400114.4L312 T313 P317 K356 L359L312-E315 HydrophobicContact CB-CG 4.42Å; L312-E315 WeakPolarHBondContact O-CB 3.2Å; L312-E315 PolarHBondContact O-N 3.1Å; T313-E315 VanDerWaalsContact C-N 3.25Å; T313-E315 PolarHBondContact O-N 3.43Å; E315-P317 WeakPolarHBondContact O-CD 3.33Å; E315-K356 IonicContact OE2-NZ 3.95Å; E315-K356 PolarHBondContact OE2-NZ 3Å; E315-L359 WeakPolarHBondContact OE1-CD1 3.18Å
316A69.3Low77.1Confident46 Ų4665 Ų6538%0.3833%0.325SS..  trans-57.5111.5179.300000109.9V304 T313 L318V304-A316 HydrophobicContact CB-CB 4.24Å; T313-A316 PolarHBondContact O-N 3.16Å; A316-L318 PolarHBondContact O-N 3.4Å
317P75.6Confident77.1Confident22 Ų2266.8 Ų66.814%0.14334%0.341CS..  trans-75.9123.3-169.430.6-37.3000110.7I105 I106 Y288 V304 E315 L319I105-P317 HydrophobicContact CD1-CG 4.45Å; I106-P317 WeakPolarHBondContact O-CG 3Å; Y288-P317 HydrophobicContact CE1-CG 4.2Å; V304-P317 HydrophobicContact CG2-CG 4.48Å; E315-P317 WeakPolarHBondContact O-CD 3.33Å; P317-L319 HydrophobicContact CB-CD1 4.39Å; P317-L319 HydrophobicContact CB-CD2 3.76Å; P317-L319 HydrophobicContact CB-CG 3.84Å; P317-L319 HydrophobicContact CG-CD1 4.17Å; P317-L319 HydrophobicContact CG-CD2 4.42Å; P317-L319 HydrophobicContact CG-CG 4.11Å; P317-L319 PolarHBondContact O-N 2.94Å; P317-L319 VanDerWaalsContact O-N 3.14Å
318L85.8Confident77.3Confident99 Ų9966 Ų6652%0.51834%0.336SS..  trans-76.196.8164.4-179.664.2000108.7V301 Q302 A316 Y320V301-L318 WeakPolarHBondContact O-CD1 3.45Å; Q302-L318 HydrophobicContact CG-CD1 4.01Å; A316-L318 PolarHBondContact O-N 3.4Å; L318-Y320 HydrophobicContact CD1-CE2 4.38Å; L318-Y320 HydrophobicContact CD2-CE2 3.88Å; L318-Y320 HydrophobicContact CG-CE2 3.72Å
319L91.4Very high77.9Confident11 Ų1164 Ų646%0.05833%0.326CS..EExtended strand (participates in β ladder)trans-100.6135.2-175.9-57.4176.3000111.1I106 R300 V301 P317I106-L319 HydrophobicContact CB-CD1 4.06Å; I106-L319 HydrophobicContact CG2-CD1 3.48Å; I106-L319 VanDerWaalsContact CG2-CD1 3.48Å; R300-L319 CarbonylContact C-O 3.52Å; R300-L319 WeakPolarHBondContact CA-O 3.38Å; R300-L319 WeakPolarHBondContact CB-O 3.39Å; V301-L319 HydrophobicContact CB-CB 3.96Å; V301-L319 HydrophobicContact CB-CG 4.44Å; V301-L319 HydrophobicContact CG2-CB 4.03Å; V301-L319 HydrophobicContact CG2-CD1 4.27Å; V301-L319 PolarHBondContact N-O 3.48Å; V301-L319 PolarHBondContact O-N 3.31Å; P317-L319 HydrophobicContact CB-CD1 4.39Å; P317-L319 HydrophobicContact CB-CD2 3.76Å; P317-L319 HydrophobicContact CB-CG 3.84Å; P317-L319 HydrophobicContact CG-CD1 4.17Å; P317-L319 HydrophobicContact CG-CD2 4.42Å; P317-L319 HydrophobicContact CG-CG 4.11Å; P317-L319 PolarHBondContact O-N 2.94Å; P317-L319 VanDerWaalsContact O-N 3.14Å
320Y91.5Very high78.8Confident66 Ų6657.8 Ų57.826%0.25929%0.293SS..EExtended strand (participates in β ladder)trans-110.8135.8173.7-69-94.4000111.5R298 R300 L318R298-Y320 HydrophobicContact CG-CD1 4.18Å; R300-Y320 HydrophobicContact CB-CD1 3.86Å; R300-Y320 HydrophobicContact CB-CE1 4Å; R300-Y320 HydrophobicContact CB-CG 4.41Å; R300-Y320 HydrophobicContact CG-CE1 4.48Å; L318-Y320 HydrophobicContact CD1-CE2 4.38Å; L318-Y320 HydrophobicContact CD2-CE2 3.88Å; L318-Y320 HydrophobicContact CG-CE2 3.72Å
321F92.8Very high80.3Confident0 Ų055.8 Ų55.80%028%0.283CS..  trans-71.3130.9173.8-74.8-104.2000109.7I109 F281 V290 R298 S299 V301 H328 L331 L340 Y351I109-F321 HydrophobicContact CD1-CB 4.48Å; I109-F321 HydrophobicContact CD1-CD1 3.71Å; I109-F321 HydrophobicContact CD1-CD2 3.68Å; I109-F321 HydrophobicContact CD1-CE1 3.71Å; I109-F321 HydrophobicContact CD1-CE2 3.68Å; I109-F321 HydrophobicContact CD1-CG 3.7Å; I109-F321 HydrophobicContact CD1-CZ 3.69Å; F281-F321 HydrophobicContact CE1-CZ 4.4Å; V290-F321 HydrophobicContact CB-CE2 4.46Å; V290-F321 HydrophobicContact CG1-CD2 4.3Å; V290-F321 HydrophobicContact CG1-CE2 3.69Å; V290-F321 HydrophobicContact CG1-CZ 4.36Å; V290-F321 HydrophobicContact CG2-CE2 3.83Å; V290-F321 HydrophobicContact CG2-CZ 3.97Å; R298-F321 PolarHBondContact NE-O 3.1Å; S299-F321 WeakPolarHBondContact O-CD2 3.44Å; S299-F321 PolarHBondContact O-N 2.86Å; V301-F321 HydrophobicContact CG2-CE2 4.3Å; F321-H328 AromaticContact CD1-CE1 3.85Å; F321-L331 HydrophobicContact CE1-CD1 4.06Å; F321-L331 HydrophobicContact CE1-CD2 4.08Å; F321-L331 HydrophobicContact CZ-CD1 3.69Å; F321-L340 HydrophobicContact CE1-CD1 4.18Å; F321-L340 HydrophobicContact CZ-CD1 4.23Å; F321-Y351 AromaticContact CD1-CD1 3.97Å; F321-Y351 HydrophobicContact CD1-CD1 3.97Å; F321-Y351 HydrophobicContact CD1-CD2 4.14Å; F321-Y351 AromaticContact CD1-CE1 3.71Å; F321-Y351 HydrophobicContact CD1-CE1 3.71Å; F321-Y351 AromaticContact CD1-CE2 3.86Å; F321-Y351 HydrophobicContact CD1-CE2 3.86Å; F321-Y351 HydrophobicContact CD1-CG 4.18Å; F321-Y351 AromaticContact CD1-CZ 3.64Å; F321-Y351 HydrophobicContact CE1-CD1 4.48Å; F321-Y351 AromaticContact CE1-CD2 3.97Å; F321-Y351 HydrophobicContact CE1-CD2 3.97Å; F321-Y351 HydrophobicContact CE1-CE1 4.49Å; F321-Y351 AromaticContact CE1-CE2 3.95Å; F321-Y351 HydrophobicContact CE1-CE2 3.95Å; F321-Y351 HydrophobicContact CE1-CG 4.23Å
322P87.1Confident81.7Confident24 Ų2454.8 Ų54.816%0.15628%0.278CS..THydrogen-bonded Turntrans-76133.4-17527.4-32.3000111.3I109 V112 R324I109-P322 VanDerWaalsContact CG2-CD 3.47Å; I109-P322 HydrophobicContact CG2-CG 3.98Å; V112-P322 HydrophobicContact CB-CG 4.13Å; V112-P322 HydrophobicContact CG1-CG 4.19Å; P322-R324 VanDerWaalsContact C-N 3.29Å; P322-R324 PolarHBondContact O-N 2.83Å
323R71Confident83.4Confident208 Ų20851.2 Ų51.279%0.78526%0.258SS*.THydrogen-bonded Turntrans58.631.6163.8-53.6178.9177.8-171.1-2.5114.9
324R69.4Low85.1Confident26 Ų2644.8 Ų44.810%0.09822%0.219CC..  trans-137.5124.5177.2-69.5-69.8-83.9-105.59.5111.6P322 D344P322-R324 VanDerWaalsContact C-N 3.29Å; P322-R324 PolarHBondContact O-N 2.83Å; R324-D344 IonicContact CZ-OD2 3.35Å; R324-D344 IonicContact NE-OD2 2.88Å; R324-D344 PolarHBondContact NE-OD2 3.08Å; R324-D344 IonicContact NH2-OD2 2.88Å; R324-D344 PolarHBondContact NH2-OD2 3.41Å
325Y76.1Confident86.7Confident113 Ų11336.1 Ų36.144%0.44318%0.179SC..  trans-113.663.8169.7-60.9-87.9000108S297 R298S297-Y325 WeakPolarHBondContact O-CA 3.34Å; R298-Y325 HydrophobicContact CB-CD1 4.13Å; R298-Y325 HydrophobicContact CB-CE1 3.96Å
326G84.9Confident88.1Confident11 Ų1139.4 Ų39.411%0.11320%0.195CC..SBendtrans-128.6-175.2-175.800000110.4N292N292-G326 PolarHBondContact ND2-O 3.1Å
327A90.9Very high89.2Confident46 Ų4639.7 Ų39.738%0.3819%0.188SC..  trans-127.2112.4178.300000108.9E278 A296 A329 D344E278-A327 WeakPolarHBondContact OE2-CA 3.47Å; A296-A327 HydrophobicContact CB-CB 4.21Å; A327-A329 PolarHBondContact O-N 2.92Å; A327-D344 PolarHBondContact N-OD1 3.28Å; A327-D344 VanDerWaalsContact O-OD1 3.1Å
328H95.6Very high90.1Very high1 Ų141.2 Ų41.21%0.00520%0.195CC..  trans-66.7127.5-178.7-61.698.9000109.5N225 E278 S299 F321 L331 W343 Y351N225-H328 PolarHBondContact ND2-O 2.85Å; E278-H328 IonicContact OE1-CE1 3.1Å; E278-H328 IonicContact OE1-CG 3.11Å; E278-H328 IonicContact OE1-ND1 2.57Å; E278-H328 PolarHBondContact OE1-ND1 2.8Å; E278-H328 PolarHBondContact OE2-N 2.88Å; S299-H328 PolarHBondContact OG-CE1 2.84Å; S299-H328 VanDerWaalsContact OG-CE1 3.3Å; S299-H328 PolarHBondContact OG-ND1 3.38Å; F321-H328 AromaticContact CD1-CE1 3.85Å; H328-L331 HydrophobicContact CB-CD1 4.31Å; H328-L331 HydrophobicContact CB-CG 4.12Å; H328-W343 CarbonylContact C-O 3.59Å; H328-W343 WeakPolarHBondContact CA-O 3.38Å; H328-Y351 AromaticContact NE2-CE2 3.56Å; H328-Y351 AromaticContact NE2-CZ 3.48Å; H328-Y351 PolarHBondContact NE2-OH 3.11Å
329A96.1Very high90.5Very high4 Ų437.9 Ų37.93%0.03318%0.177CC..SBendtrans-79.7-29.8168.800000111.6K122 P175 A327 W343K122-A329 HydrophobicContact CB-CB 4.02Å; K122-A329 HydrophobicContact CG-CB 3.97Å; P175-A329 WeakPolarHBondContact CG-O 3.34Å; A327-A329 PolarHBondContact O-N 2.92Å; A329-W343 HydrophobicContact CB-CB 4.49Å; A329-W343 PolarHBondContact N-O 2.94Å
330S97.3Very high90.8Very high3 Ų337.4 Ų37.42%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-158.7154.2173.953.40000111.1G123 M124 G342 W343G123-S330 PolarHBondContact O-OG 2.79Å; M124-S330 VanDerWaalsContact CA-OG 3.27Å; M124-S330 WeakPolarHBondContact CA-OG 3.46Å; M124-S330 VanDerWaalsContact CB-OG 3.24Å; M124-S330 WeakPolarHBondContact CB-OG 3.38Å; S330-G342 WeakPolarHBondContact O-CA 3.24Å; S330-W343 PolarHBondContact O-N 2.98Å; S330-W343 WeakPolarHBondContact OG-CB 3.3Å
331L97.6Very high91.1Very high2 Ų234.3 Ų34.31%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-137.2122.7171.2-74.7169.5000108.7A279 F281 V290 F321 H328 L340 Y341 Y351A279-L331 HydrophobicContact CB-CB 4.27Å; A279-L331 HydrophobicContact CB-CD1 4.07Å; A279-L331 HydrophobicContact CB-CG 4.27Å; F281-L331 HydrophobicContact CD1-CB 4.26Å; F281-L331 HydrophobicContact CD1-CD1 4.38Å; V290-L331 HydrophobicContact CB-CD1 4.3Å; V290-L331 HydrophobicContact CG1-CD1 4.45Å; V290-L331 HydrophobicContact CG2-CD1 3.7Å; F321-L331 HydrophobicContact CE1-CD1 4.06Å; F321-L331 HydrophobicContact CE1-CD2 4.08Å; F321-L331 HydrophobicContact CZ-CD1 3.69Å; H328-L331 HydrophobicContact CB-CD1 4.31Å; H328-L331 HydrophobicContact CB-CG 4.12Å; L331-L340 HydrophobicContact CD2-CB 4.49Å; L331-Y341 CarbonylContact C-O 3.5Å; L331-Y341 WeakPolarHBondContact CA-O 3.39Å; L331-Y351 HydrophobicContact CD2-CD2 4.16Å; L331-Y351 HydrophobicContact CD2-CE2 3.99Å
332K97.6Very high91.3Very high9 Ų934.3 Ų34.34%0.03916%0.162CC..EExtended strand (participates in β ladder)trans-124.1118.2-177.1-61.2-69.5164.4169.80110.4M124 S177 D231 L232 L340 Y341M124-K332 HydrophobicContact CE-CD 4.37Å; M124-K332 HydrophobicContact CE-CG 4.27Å; S177-K332 VanDerWaalsContact O-CE 3.24Å; S177-K332 WeakPolarHBondContact O-CE 3.27Å; S177-K332 PolarHBondContact O-NZ 2.91Å; D231-K332 IonicContact OD1-NZ 3.29Å; D231-K332 PolarHBondContact OD1-NZ 3.11Å; L232-K332 PolarHBondContact O-NZ 2.74Å; K332-L340 CarbonylContact O-C 3.59Å; K332-L340 WeakPolarHBondContact O-CA 3.44Å; K332-Y341 PolarHBondContact N-O 2.84Å; K332-Y341 PolarHBondContact O-N 2.73Å
333Y97.7Very high91.8Very high12 Ų1233.1 Ų33.15%0.04716%0.155CC..EExtended strand (participates in β ladder)trans-74.3145174.8177.5-118.2000111.2D235 V282 V283 P335 N338 L340 L353D235-Y333 HydrophobicContact CB-CD1 4.22Å; D235-Y333 HydrophobicContact CB-CE1 4.29Å; V282-Y333 VanDerWaalsContact O-CD1 3.23Å; V282-Y333 WeakPolarHBondContact O-CD1 3.38Å; V283-Y333 HydrophobicContact CB-CD1 4.4Å; V283-Y333 HydrophobicContact CB-CE1 4.11Å; V283-Y333 HydrophobicContact CG1-CE1 3.86Å; V283-Y333 HydrophobicContact CG1-CE2 4.36Å; V283-Y333 HydrophobicContact CG2-CD1 3.73Å; V283-Y333 HydrophobicContact CG2-CD2 3.75Å; V283-Y333 HydrophobicContact CG2-CE1 3.77Å; V283-Y333 HydrophobicContact CG2-CE2 3.83Å; V283-Y333 HydrophobicContact CG2-CG 3.69Å; Y333-P335 HydrophobicContact CE1-CB 3.79Å; Y333-P335 HydrophobicContact CE1-CG 4.48Å; Y333-N338 PolarHBondContact OH-OD1 3.37Å; Y333-L340 HydrophobicContact CD2-CD2 3.99Å; Y333-L340 HydrophobicContact CG-CD2 4.34Å; Y333-L353 HydrophobicContact CD2-CD1 3.85Å; Y333-L353 HydrophobicContact CE2-CD1 3.82Å
334N96.1Very high93Very high0 Ų023.9 Ų23.90%012%0.121CC..EExtended strand (participates in β ladder)trans-124.7111.7169.8-175-64.7000108.3R127 E336 E337 N338 Q339 Y341R127-N334 PolarHBondContact O-ND2 3.22Å; N334-E336 PolarHBondContact O-N 2.85Å; N334-E336 PolarHBondContact OD1-N 3.01Å; N334-E337 PolarHBondContact O-N 2.99Å; N334-E337 PolarHBondContact OD1-N 3.22Å; N334-N338 PolarHBondContact O-N 2.64Å; N334-Q339 PolarHBondContact N-O 2.91Å; N334-Q339 PolarHBondContact O-N 3.43Å; N334-Y341 HydrophobicContact CB-CD2 4.11Å; N334-Y341 HydrophobicContact CB-CE2 3.78Å
335P93Very high94.2Very high12 Ų1225.9 Ų25.98%0.07813%0.134CC..G310 helixtrans-62.9-39.6-17720.5-31.6000113.5P129 D236 Y333 E337 N338P129-P335 HydrophobicContact CB-CG 4.1Å; P129-P335 HydrophobicContact CG-CG 4.09Å; D236-P335 VanDerWaalsContact OD1-CB 3.24Å; D236-P335 WeakPolarHBondContact OD1-CB 3.02Å; Y333-P335 HydrophobicContact CE1-CB 3.79Å; Y333-P335 HydrophobicContact CE1-CG 4.48Å; P335-E337 VanDerWaalsContact C-N 3.26Å; P335-E337 PolarHBondContact O-N 3.31Å; P335-N338 PolarHBondContact O-N 3.22Å; P335-N338 PolarHBondContact O-OD1 2.59Å; P335-N338 VanDerWaalsContact O-OD1 3.08Å
336E92.4Very high95Very high112 Ų11220.5 Ų20.552%0.52311%0.113SC..G310 helixtrans-67.6-25.7-176.6-68.1-71.7-176.200113.6P129 K130 N334P129-E336 HydrophobicContact CB-CB 4.38Å; P129-E336 HydrophobicContact CB-CG 3.79Å; P129-E336 WeakPolarHBondContact O-CG 3.41Å; K130-E336 IonicContact NZ-OE1 3.58Å; K130-E336 PolarHBondContact NZ-OE1 2.83Å; N334-E336 PolarHBondContact O-N 2.85Å; N334-E336 PolarHBondContact OD1-N 3.01Å
337E93.2Very high95.6Very high52 Ų5224.1 Ų24.124%0.24312%0.123CC..G310 helixtrans-108.7-5.6-178.7-67.5-175.614200113.9R127 N334 P335 Q339 Y341R127-E337 IonicContact CZ-OE1 3.76Å; R127-E337 IonicContact NE-OE1 2.74Å; R127-E337 IonicContact NH1-OE1 3.45Å; R127-E337 PolarHBondContact NH1-OE1 2.8Å; N334-E337 PolarHBondContact O-N 2.99Å; N334-E337 PolarHBondContact OD1-N 3.22Å; P335-E337 VanDerWaalsContact C-N 3.26Å; P335-E337 PolarHBondContact O-N 3.31Å; E337-Q339 HydrophobicContact CB-CB 4.2Å; E337-Q339 HydrophobicContact CB-CG 4.45Å; E337-Q339 WeakPolarHBondContact O-CG 3.05Å; E337-Q339 PolarHBondContact O-N 2.76Å; E337-Q339 PolarHBondContact O-NE2 2.87Å; E337-Y341 PolarHBondContact OE2-OH 3.38Å
338N93.6Very high95.8Very high54 Ų5422 Ų2229%0.28911%0.105SC..THydrogen-bonded Turntrans47.648.8-173.6-72.7-33.5000112.7Y333 N334 P335 L353 I355Y333-N338 PolarHBondContact OH-OD1 3.37Å; N334-N338 PolarHBondContact O-N 2.64Å; P335-N338 PolarHBondContact O-N 3.22Å; P335-N338 PolarHBondContact O-OD1 2.59Å; P335-N338 VanDerWaalsContact O-OD1 3.08Å; N338-L353 WeakPolarHBondContact O-CB 3.46Å; N338-L353 PolarHBondContact O-N 2.75Å; N338-L353 VanDerWaalsContact O-N 3.13Å; N338-I355 HydrophobicContact CB-CD1 3.76Å; N338-I355 WeakPolarHBondContact OD1-CD1 3.42Å
339Q96.2Very high95.9Very high30 Ų3021.9 Ų21.914%0.1411%0.105CC..EExtended strand (participates in β ladder)trans-136.9147.7-171.4-83.116367.300111.7N334 E337 I350 Y351 R352N334-Q339 PolarHBondContact N-O 2.91Å; N334-Q339 PolarHBondContact O-N 3.43Å; E337-Q339 HydrophobicContact CB-CB 4.2Å; E337-Q339 HydrophobicContact CB-CG 4.45Å; E337-Q339 WeakPolarHBondContact O-CG 3.05Å; E337-Q339 PolarHBondContact O-N 2.76Å; E337-Q339 PolarHBondContact O-NE2 2.87Å; Q339-I350 HydrophobicContact CB-CG2 4.27Å; Q339-I350 HydrophobicContact CG-CG2 4.04Å; Q339-Y351 CarbonylContact C-O 3.56Å; Q339-Y351 VanDerWaalsContact CA-O 3.22Å; Q339-Y351 WeakPolarHBondContact CA-O 3.33Å; Q339-Y351 WeakPolarHBondContact CB-O 3.4Å; Q339-Y351 WeakPolarHBondContact CG-O 3.25Å; Q339-R352 HydrophobicContact CG-CB 4.34Å; Q339-R352 HydrophobicContact CG-CG 3.79Å
340L97.3Very high95.9Very high0 Ų022.2 Ų22.20%011%0.106CC..EExtended strand (participates in β ladder)trans-99.7132.9168.3-54.4173.3000110.2F281 F321 L331 K332 Y333 I350 Y351 L353F281-L340 HydrophobicContact CB-CD2 4.28Å; F281-L340 HydrophobicContact CD1-CD1 4.01Å; F281-L340 HydrophobicContact CD1-CD2 4.04Å; F281-L340 HydrophobicContact CD2-CD2 3.75Å; F281-L340 HydrophobicContact CE1-CD1 3.64Å; F281-L340 HydrophobicContact CE1-CD2 4.35Å; F281-L340 HydrophobicContact CE2-CD1 4.33Å; F281-L340 HydrophobicContact CE2-CD2 4.09Å; F281-L340 HydrophobicContact CG-CD1 4.49Å; F281-L340 HydrophobicContact CG-CD2 3.73Å; F281-L340 HydrophobicContact CZ-CD1 3.82Å; F281-L340 HydrophobicContact CZ-CD2 4.37Å; F321-L340 HydrophobicContact CE1-CD1 4.18Å; F321-L340 HydrophobicContact CZ-CD1 4.23Å; L331-L340 HydrophobicContact CD2-CB 4.49Å; K332-L340 CarbonylContact O-C 3.59Å; K332-L340 WeakPolarHBondContact O-CA 3.44Å; Y333-L340 HydrophobicContact CD2-CD2 3.99Å; Y333-L340 HydrophobicContact CG-CD2 4.34Å; L340-I350 WeakPolarHBondContact O-CA 3.1Å; L340-Y351 HydrophobicContact CB-CD2 4.28Å; L340-Y351 PolarHBondContact N-O 2.83Å; L340-Y351 PolarHBondContact O-N 2.77Å; L340-L353 HydrophobicContact CD1-CD2 3.92Å; L340-L353 HydrophobicContact CD2-CD1 4.1Å; L340-L353 HydrophobicContact CG-CD1 3.97Å; L340-L353 HydrophobicContact CG-CD2 3.99Å; L340-L353 HydrophobicContact CG-CG 4.21Å
341Y97.8Very high95.9Very high1 Ų122 Ų220%0.00411%0.105CC..EExtended strand (participates in β ladder)trans-95.6106169.5-72.6-102.6000108.5W125 R127 L134 L331 K332 N334 E337 I350W125-Y341 AromaticContact CD2-CD1 3.91Å; W125-Y341 HydrophobicContact CD2-CD1 3.91Å; W125-Y341 AromaticContact CE2-CD1 3.7Å; W125-Y341 AromaticContact CE3-CD1 3.91Å; W125-Y341 HydrophobicContact CE3-CD1 3.91Å; W125-Y341 HydrophobicContact CE3-CE1 4.36Å; W125-Y341 AromaticContact CH2-CD1 3.42Å; W125-Y341 HydrophobicContact CH2-CD1 3.42Å; W125-Y341 VanDerWaalsContact CH2-CD1 3.42Å; W125-Y341 AromaticContact CH2-CE1 3.67Å; W125-Y341 HydrophobicContact CH2-CE1 3.67Å; W125-Y341 AromaticContact CZ2-CD1 3.47Å; W125-Y341 HydrophobicContact CZ2-CD1 3.47Å; W125-Y341 VanDerWaalsContact CZ2-CD1 3.47Å; W125-Y341 HydrophobicContact CZ2-CE1 4.18Å; W125-Y341 HydrophobicContact CZ2-CG 4.27Å; W125-Y341 AromaticContact CZ3-CD1 3.68Å; W125-Y341 HydrophobicContact CZ3-CD1 3.68Å; W125-Y341 AromaticContact CZ3-CE1 3.79Å; W125-Y341 HydrophobicContact CZ3-CE1 3.79Å; W125-Y341 WeakPolarHBondContact O-CB 3.49Å; R127-Y341 HydrophobicContact CB-CE1 3.97Å; R127-Y341 HydrophobicContact CB-CE2 4.07Å; R127-Y341 WeakPolarHBondContact CB-OH 3.42Å; R127-Y341 WeakPolarHBondContact CD-OH 3.41Å; L134-Y341 HydrophobicContact CD1-CD1 4.25Å; L134-Y341 HydrophobicContact CD1-CE1 3.85Å; L331-Y341 CarbonylContact C-O 3.5Å; L331-Y341 WeakPolarHBondContact CA-O 3.39Å; K332-Y341 PolarHBondContact N-O 2.84Å; K332-Y341 PolarHBondContact O-N 2.73Å; N334-Y341 HydrophobicContact CB-CD2 4.11Å; N334-Y341 HydrophobicContact CB-CE2 3.78Å; E337-Y341 PolarHBondContact OE2-OH 3.38Å; Y341-I350 HydrophobicContact CE1-CD1 4.4Å; Y341-I350 HydrophobicContact CE1-CG1 4.44Å
342G97Very high95.8Very high0 Ų028.3 Ų28.30%013%0.128CC..EExtended strand (participates in β ladder)trans-107.5144.6-177.800000113.3W125 S330 I349W125-G342 PolarHBondContact NE1-O 3.46Å; S330-G342 WeakPolarHBondContact O-CA 3.24Å; G342-I349 PolarHBondContact N-O 3.3Å; G342-I349 PolarHBondContact O-N 2.87Å
343W97.3Very high95.7Very high0 Ų028.7 Ų28.70%013%0.131CC..EExtended strand (participates in β ladder)trans-119.1130.5171.4-167.3-70.4000110.1I118 S120 P121 G123 W125 V136 H328 A329 S330 Y347 Q348I118-W343 HydrophobicContact CG2-CH2 4.43Å; I118-W343 WeakPolarHBondContact O-CH2 3.33Å; I118-W343 WeakPolarHBondContact O-CZ2 3.23Å; S120-W343 PolarHBondContact O-NE1 3.44Å; P121-W343 PolarHBondContact O-NE1 3.14Å; G123-W343 WeakPolarHBondContact O-CB 3.22Å; W125-W343 HydrophobicContact CB-CE3 4Å; W125-W343 HydrophobicContact CB-CZ3 4.07Å; W125-W343 AromaticContact CD1-CE3 3.84Å; W125-W343 HydrophobicContact CG-CE3 4.07Å; W125-W343 HydrophobicContact CG-CZ3 4.46Å; V136-W343 HydrophobicContact CG1-CH2 3.93Å; V136-W343 HydrophobicContact CG1-CZ3 3.8Å; H328-W343 CarbonylContact C-O 3.59Å; H328-W343 WeakPolarHBondContact CA-O 3.38Å; A329-W343 HydrophobicContact CB-CB 4.49Å; A329-W343 PolarHBondContact N-O 2.94Å; S330-W343 PolarHBondContact O-N 2.98Å; S330-W343 WeakPolarHBondContact OG-CB 3.3Å; W343-Y347 WeakPolarHBondContact CA-O 3.29Å; W343-Q348 HydrophobicContact CE3-CG 3.81Å; W343-Q348 VanDerWaalsContact CE3-NE2 3.29Å; W343-Q348 HydrophobicContact CZ3-CG 3.75Å
344D95.6Very high95.5Very high14 Ų1430.8 Ų30.88%0.07515%0.145CC..EExtended strand (participates in β ladder)trans-151.7120.2-178.8169.221.5000109.1R324 A327 G346 Y347 I349R324-D344 IonicContact CZ-OD2 3.35Å; R324-D344 IonicContact NE-OD2 2.88Å; R324-D344 PolarHBondContact NE-OD2 3.08Å; R324-D344 IonicContact NH2-OD2 2.88Å; R324-D344 PolarHBondContact NH2-OD2 3.41Å; A327-D344 PolarHBondContact N-OD1 3.28Å; A327-D344 VanDerWaalsContact O-OD1 3.1Å; D344-G346 PolarHBondContact O-N 2.83Å; D344-G346 VanDerWaalsContact O-N 3.11Å; D344-Y347 PolarHBondContact N-O 3.13Å; D344-Y347 VanDerWaalsContact N-O 3.11Å; D344-Y347 WeakPolarHBondContact O-CA 3.18Å; D344-Y347 VanDerWaalsContact O-CB 3.23Å; D344-Y347 WeakPolarHBondContact O-CB 3.45Å; D344-Y347 WeakPolarHBondContact O-CD2 3.47Å; D344-Y347 PolarHBondContact O-N 3.14Å; D344-I349 HydrophobicContact CB-CD1 3.8Å
345D94.2Very high95.2Very high68 Ų6832.6 Ų32.636%0.36415%0.154SC..THydrogen-bonded Turntrans42.145.7-176.4-168.947.5000114.7R117 P121 Y347R117-D345 IonicContact CZ-OD2 3.85Å; R117-D345 PolarHBondContact NE-O 3.18Å; R117-D345 VanDerWaalsContact NE-O 3.11Å; R117-D345 IonicContact NH2-OD1 3.85Å; R117-D345 IonicContact NH2-OD2 2.87Å; R117-D345 PolarHBondContact NH2-OD2 3.4Å; P121-D345 WeakPolarHBondContact CB-OD1 3.42Å; P121-D345 VanDerWaalsContact O-CA 3.27Å; P121-D345 WeakPolarHBondContact O-CA 3.44Å; P121-D345 PolarHBondContact O-N 3.38Å; P121-D345 VanDerWaalsContact O-N 3.17Å; D345-Y347 PolarHBondContact O-N 3.16Å
346G94.6Very high95Very high0 Ų035.9 Ų35.90%017%0.167CC..THydrogen-bonded Turntrans77.1-1.2-178.500000115R117 I118 S120 P121 D344 Q348R117-G346 CarbonylContact C-O 3.59Å; R117-G346 VanDerWaalsContact CA-O 3.22Å; R117-G346 WeakPolarHBondContact CA-O 3.41Å; R117-G346 WeakPolarHBondContact CG-O 3.4Å; I118-G346 PolarHBondContact N-O 3.43Å; I118-G346 VanDerWaalsContact O-O 3.11Å; S120-G346 VanDerWaalsContact O-CA 3.29Å; S120-G346 WeakPolarHBondContact O-CA 3.38Å; S120-G346 PolarHBondContact O-N 3.07Å; P121-G346 PolarHBondContact O-N 2.89Å; D344-G346 PolarHBondContact O-N 2.83Å; D344-G346 VanDerWaalsContact O-N 3.11Å; G346-Q348 PolarHBondContact O-NE2 3.25Å; G346-Q348 PolarHBondContact O-OE1 3.22Å
347Y95.9Very high94.7Very high87 Ų8734.9 Ų34.934%0.34117%0.169SC..EExtended strand (participates in β ladder)trans-83129.5173.6-66-84.5000111.5I114 K116 R117 W343 D344 D345I114-Y347 HydrophobicContact CG2-CD1 3.67Å; I114-Y347 HydrophobicContact CG2-CE1 4.46Å; I114-Y347 HydrophobicContact CG2-CG 4.41Å; K116-Y347 CarbonylContact O-C 3.52Å; K116-Y347 VanDerWaalsContact O-CA 3.3Å; K116-Y347 WeakPolarHBondContact O-CA 3.35Å; R117-Y347 HydrophobicContact CB-CD1 3.7Å; R117-Y347 HydrophobicContact CB-CE1 3.76Å; R117-Y347 HydrophobicContact CB-CG 4.32Å; R117-Y347 HydrophobicContact CG-CD1 3.91Å; R117-Y347 HydrophobicContact CG-CD2 4.26Å; R117-Y347 HydrophobicContact CG-CE1 3.94Å; R117-Y347 HydrophobicContact CG-CE2 4.27Å; R117-Y347 HydrophobicContact CG-CG 4.09Å; W343-Y347 WeakPolarHBondContact CA-O 3.29Å; D344-Y347 PolarHBondContact N-O 3.13Å; D344-Y347 VanDerWaalsContact N-O 3.11Å; D344-Y347 WeakPolarHBondContact O-CA 3.18Å; D344-Y347 VanDerWaalsContact O-CB 3.23Å; D344-Y347 WeakPolarHBondContact O-CB 3.45Å; D344-Y347 WeakPolarHBondContact O-CD2 3.47Å; D344-Y347 PolarHBondContact O-N 3.14Å; D345-Y347 PolarHBondContact O-N 3.16Å
348Q96.7Very high94.1Very high0 Ų032.7 Ų32.70%016%0.159CC..EExtended strand (participates in β ladder)trans-92.8121171.3-68.272.444.600109.2L115 K116 I118 W125 F154 W343 G346L115-Q348 PolarHBondContact N-O 2.82Å; K116-Q348 PolarHBondContact O-N 3.39Å; K116-Q348 PolarHBondContact O-OE1 2.65Å; K116-Q348 VanDerWaalsContact O-OE1 3.13Å; I118-Q348 PolarHBondContact O-NE2 2.85Å; W125-Q348 HydrophobicContact CB-CG 4.49Å; W125-Q348 HydrophobicContact CD2-CB 3.74Å; W125-Q348 HydrophobicContact CD2-CG 3.74Å; W125-Q348 HydrophobicContact CE3-CB 4.07Å; W125-Q348 HydrophobicContact CE3-CG 4.15Å; W125-Q348 HydrophobicContact CG-CB 4.3Å; W125-Q348 HydrophobicContact CG-CG 3.86Å; W125-Q348 HydrophobicContact CH2-CB 4.22Å; W125-Q348 HydrophobicContact CZ2-CB 3.83Å; W125-Q348 HydrophobicContact CZ3-CB 4.31Å; F154-Q348 HydrophobicContact CE1-CB 3.99Å; F154-Q348 HydrophobicContact CE1-CG 4.03Å; F154-Q348 HydrophobicContact CZ-CB 4.24Å; F154-Q348 HydrophobicContact CZ-CG 3.79Å; W343-Q348 HydrophobicContact CE3-CG 3.81Å; W343-Q348 VanDerWaalsContact CE3-NE2 3.29Å; W343-Q348 HydrophobicContact CZ3-CG 3.75Å; G346-Q348 PolarHBondContact O-NE2 3.25Å; G346-Q348 PolarHBondContact O-OE1 3.22Å
349I96.3Very high92.8Very high0 Ų035.3 Ų35.30%017%0.172CC..EExtended strand (participates in β ladder)trans-128.2134.8-166.3-43.5159.5000110.1V112 K113 W125 G342 D344 Y351V112-I349 HydrophobicContact CG2-CG2 3.41Å; V112-I349 VanDerWaalsContact CG2-CG2 3.41Å; K113-I349 CarbonylContact O-C 3.57Å; K113-I349 WeakPolarHBondContact O-CA 3.34Å; W125-I349 VanDerWaalsContact CZ2-O 3.31Å; W125-I349 WeakPolarHBondContact CZ2-O 3.38Å; G342-I349 PolarHBondContact N-O 3.3Å; G342-I349 PolarHBondContact O-N 2.87Å; D344-I349 HydrophobicContact CB-CD1 3.8Å; I349-Y351 HydrophobicContact CB-CE2 4.16Å; I349-Y351 HydrophobicContact CD1-CE2 4.34Å; I349-Y351 HydrophobicContact CG2-CD2 4.26Å; I349-Y351 HydrophobicContact CG2-CE1 4.03Å; I349-Y351 HydrophobicContact CG2-CE2 3.75Å
350I97.1Very high90.9Very high10 Ų1039.8 Ų39.85%0.05120%0.197CC..EExtended strand (participates in β ladder)trans-106.3126.7170.1-64.1179.7000108.6V112 K113 L115 W125 V151 Q339 L340 Y341V112-I350 CarbonylContact C-O 3.41Å; V112-I350 WeakPolarHBondContact CA-O 3.27Å; K113-I350 HydrophobicContact CB-CB 4.46Å; K113-I350 PolarHBondContact N-O 2.77Å; K113-I350 PolarHBondContact O-N 2.79Å; L115-I350 HydrophobicContact CD1-CD1 3.77Å; L115-I350 HydrophobicContact CD1-CG1 4.26Å; L115-I350 HydrophobicContact CD2-CD1 4.33Å; L115-I350 HydrophobicContact CG-CD1 4.1Å; L115-I350 HydrophobicContact CG-CG1 4.34Å; W125-I350 HydrophobicContact CH2-CD1 3.95Å; W125-I350 HydrophobicContact CH2-CG1 3.57Å; W125-I350 HydrophobicContact CZ2-CG1 3.79Å; V151-I350 HydrophobicContact CG1-CD1 4.22Å; Q339-I350 HydrophobicContact CB-CG2 4.27Å; Q339-I350 HydrophobicContact CG-CG2 4.04Å; L340-I350 WeakPolarHBondContact O-CA 3.1Å; Y341-I350 HydrophobicContact CE1-CD1 4.4Å; Y341-I350 HydrophobicContact CE1-CG1 4.44Å
351Y96.8Very high88.7Confident0 Ų045.4 Ų45.40%024%0.243CC..EExtended strand (participates in β ladder)trans-105.6128.2166.2-58.9-79.5000109.3I109 S111 V112 F321 H328 L331 Q339 L340 I349I109-Y351 HydrophobicContact CG2-CD1 3.99Å; I109-Y351 HydrophobicContact CG2-CG 4.34Å; S111-Y351 WeakPolarHBondContact O-CA 3.41Å; V112-Y351 HydrophobicContact CB-CD1 3.81Å; V112-Y351 HydrophobicContact CB-CE1 3.72Å; V112-Y351 HydrophobicContact CG2-CD1 3.82Å; V112-Y351 HydrophobicContact CG2-CE1 3.37Å; F321-Y351 AromaticContact CD1-CD1 3.97Å; F321-Y351 HydrophobicContact CD1-CD1 3.97Å; F321-Y351 HydrophobicContact CD1-CD2 4.14Å; F321-Y351 AromaticContact CD1-CE1 3.71Å; F321-Y351 HydrophobicContact CD1-CE1 3.71Å; F321-Y351 AromaticContact CD1-CE2 3.86Å; F321-Y351 HydrophobicContact CD1-CE2 3.86Å; F321-Y351 HydrophobicContact CD1-CG 4.18Å; F321-Y351 AromaticContact CD1-CZ 3.64Å; F321-Y351 HydrophobicContact CE1-CD1 4.48Å; F321-Y351 AromaticContact CE1-CD2 3.97Å; F321-Y351 HydrophobicContact CE1-CD2 3.97Å; F321-Y351 HydrophobicContact CE1-CE1 4.49Å; F321-Y351 AromaticContact CE1-CE2 3.95Å; F321-Y351 HydrophobicContact CE1-CE2 3.95Å; F321-Y351 HydrophobicContact CE1-CG 4.23Å; H328-Y351 AromaticContact NE2-CE2 3.56Å; H328-Y351 AromaticContact NE2-CZ 3.48Å; H328-Y351 PolarHBondContact NE2-OH 3.11Å; L331-Y351 HydrophobicContact CD2-CD2 4.16Å; L331-Y351 HydrophobicContact CD2-CE2 3.99Å; Q339-Y351 CarbonylContact C-O 3.56Å; Q339-Y351 VanDerWaalsContact CA-O 3.22Å; Q339-Y351 WeakPolarHBondContact CA-O 3.33Å; Q339-Y351 WeakPolarHBondContact CB-O 3.4Å; Q339-Y351 WeakPolarHBondContact CG-O 3.25Å; L340-Y351 HydrophobicContact CB-CD2 4.28Å; L340-Y351 PolarHBondContact N-O 2.83Å; L340-Y351 PolarHBondContact O-N 2.77Å; I349-Y351 HydrophobicContact CB-CE2 4.16Å; I349-Y351 HydrophobicContact CD1-CE2 4.34Å; I349-Y351 HydrophobicContact CG2-CD2 4.26Å; I349-Y351 HydrophobicContact CG2-CE1 4.03Å; I349-Y351 HydrophobicContact CG2-CE2 3.75Å
352R95.8Very high88.2Confident133 Ų13347.7 Ų47.750%0.50226%0.255SS..EExtended strand (participates in β ladder)trans-90.6129.5171.4-67.7-178.6172.5176.1-4.5109.3R110 S111 Q339R110-R352 WeakPolarHBondContact CB-O 3.26Å; R110-R352 PolarHBondContact N-O 3.32Å; S111-R352 PolarHBondContact O-N 3.06Å; Q339-R352 HydrophobicContact CG-CB 4.34Å; Q339-R352 HydrophobicContact CG-CG 3.79Å
353L95.4Very high87.8Confident17 Ų1750.2 Ų50.29%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-92.1155.4-180-57.1176.4000110.7I106 I109 Y333 N338 L340 I355I106-L353 HydrophobicContact CD1-CD1 3.68Å; I106-L353 HydrophobicContact CD1-CD2 4.27Å; I106-L353 HydrophobicContact CD1-CG 4.5Å; I106-L353 HydrophobicContact CG1-CD1 4.16Å; I106-L353 HydrophobicContact CG2-CD2 4.28Å; I109-L353 HydrophobicContact CG1-CD2 4.08Å; Y333-L353 HydrophobicContact CD2-CD1 3.85Å; Y333-L353 HydrophobicContact CE2-CD1 3.82Å; N338-L353 WeakPolarHBondContact O-CB 3.46Å; N338-L353 PolarHBondContact O-N 2.75Å; N338-L353 VanDerWaalsContact O-N 3.13Å; L340-L353 HydrophobicContact CD1-CD2 3.92Å; L340-L353 HydrophobicContact CD2-CD1 4.1Å; L340-L353 HydrophobicContact CG-CD1 3.97Å; L340-L353 HydrophobicContact CG-CD2 3.99Å; L340-L353 HydrophobicContact CG-CG 4.21Å; L353-I355 HydrophobicContact CB-CG1 4.47Å
354T92.4Very high87.2Confident57 Ų5752.9 Ų52.935%0.3528%0.283SS..EExtended strand (participates in β ladder)trans-107.4125.7162.1-51.70000106.5S107 G108S107-T354 PolarHBondContact N-O 3.25Å; S107-T354 WeakPolarHBondContact OG-CG2 3.45Å; S107-T354 PolarHBondContact OG-O 3.27Å; G108-T354 PolarHBondContact N-O 2.87Å; G108-T354 PolarHBondContact O-N 3.5Å
355I91.1Very high86.7Confident38 Ų3855.2 Ų55.220%0.19530%0.296CS..EExtended strand (participates in β ladder)trans-111.4142.1-178.5-60.4-176.3000108.4E104 I105 N338 L353E104-I355 HydrophobicContact CB-CG2 3.56Å; E104-I355 HydrophobicContact CG-CG2 3.8Å; I105-I355 CarbonylContact O-C 3.57Å; I105-I355 WeakPolarHBondContact O-CA 3.1Å; N338-I355 HydrophobicContact CB-CD1 3.76Å; N338-I355 WeakPolarHBondContact OD1-CD1 3.42Å; L353-I355 HydrophobicContact CB-CG1 4.47Å
356K89.1Confident86.3Confident80 Ų8054.4 Ų54.435%0.34829%0.291SS..EExtended strand (participates in β ladder)trans-126.8166.3168.869171.7-179.2153.20108.4I105 E315I105-K356 HydrophobicContact CG2-CD 4.11Å; I105-K356 HydrophobicContact CG2-CG 3.42Å; I105-K356 VanDerWaalsContact CG2-CG 3.42Å; I105-K356 WeakPolarHBondContact CG2-O 3.15Å; I105-K356 PolarHBondContact N-O 3.04Å; I105-K356 PolarHBondContact O-N 3.17Å; I105-K356 VanDerWaalsContact O-O 3.13Å; E315-K356 IonicContact OE2-NZ 3.95Å; E315-K356 PolarHBondContact OE2-NZ 3Å
357T85.3Confident85.7Confident92 Ų9258.1 Ų58.156%0.56431%0.311SS*.EExtended strand (participates in β ladder)trans-76.1142.1172-470000110.1V103 L359V103-T357 HydrophobicContact CB-CG2 4.21Å; V103-T357 HydrophobicContact CG2-CG2 3.74Å; V103-T357 CarbonylContact O-C 3.55Å; V103-T357 VanDerWaalsContact O-CA 3.29Å; V103-T357 WeakPolarHBondContact O-CA 3.43Å; V103-T357 WeakPolarHBondContact O-CG2 3.14Å; T357-L359 PolarHBondContact O-N 3.06Å
358K79.6Confident85Confident6 Ų656 Ų563%0.02631%0.309CS..  trans-59.5130.5169-64.8-176.5-170.4175.40107.9V103 E104 I105 C284 T286 D306 M311 L360V103-K358 WeakPolarHBondContact O-CG 3.32Å; V103-K358 PolarHBondContact O-N 3.3Å; E104-K358 WeakPolarHBondContact O-CE 3.46Å; I105-K358 HydrophobicContact CB-CG 4.03Å; I105-K358 HydrophobicContact CG2-CG 4.11Å; C284-K358 PolarHBondContact O-NZ 2.71Å; T286-K358 WeakPolarHBondContact OG1-CE 3.45Å; T286-K358 PolarHBondContact OG1-NZ 3.23Å; T286-K358 VanDerWaalsContact OG1-NZ 3.1Å; D306-K358 IonicContact OD1-NZ 3.22Å; D306-K358 PolarHBondContact OD1-NZ 2.67Å; D306-K358 IonicContact OD2-NZ 2.88Å; D306-K358 PolarHBondContact OD2-NZ 2.86Å; M311-K358 HydrophobicContact CE-CD 3.87Å; M311-K358 HydrophobicContact CE-CG 3.91Å; M311-K358 HydrophobicContact CG-CD 4.4Å; K358-L360 PolarHBondContact O-N 3.11Å
359L66.4Low84.1Confident109 Ų10960.3 Ų60.357%0.57133%0.332SS*.  trans-79.3115.4167.4-65.6177.1000106E315 T357 A361E315-L359 WeakPolarHBondContact OE1-CD1 3.18Å; T357-L359 PolarHBondContact O-N 3.06Å; L359-A361 PolarHBondContact O-N 3.31Å
360L57.8Low83.1Confident124 Ų12465.3 Ų65.365%0.64936%0.36SS*.  trans-64.6126.7180-62170.5000108.7M310 K358M310-L360 HydrophobicContact CG-CD2 4.4Å; M310-L360 HydrophobicContact SD-CD2 3.83Å; K358-L360 PolarHBondContact O-N 3.11Å
361A49.9Very low81.8Confident118 Ų11870.4 Ų70.498%0.97539%0.388SS*.  trans-69.30177.700000113L312 L359L312-A361 HydrophobicContact CD2-CB 3.91Å; L312-A361 HydrophobicContact CG-CB 4.14Å; L359-A361 PolarHBondContact O-N 3.31Å

Retrieved 361 of 361 residues in 499.6 ms (Link to these results)

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