A0A096N215_PAPAN Loading...

Short chain dehydrogenase/reductase family 16C member 5

AlphaFold DB , UniProt , Accession A0A096N215, Species PAPAN (Papio anubis, Olive baboon), Gene SDR16C5, Length 309 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
1M49.3Very low74.7Confident237 Ų237127.8 Ų127.8100%1.16766%0.655SS**  087.20-93174.1169.700108.6F3M1-F3 PolarHBondContact O-N 2.98Å
2S50.3Low76.3Confident118 Ų118130 Ų13083%0.82566%0.657SS**  trans-77.9110.9168.855.20000107.6N4S2-N4 PolarHBondContact O-N 3.47Å
3F57.2Low77.5Confident184 Ų184126.8 Ų126.881%0.80764%0.641SS**  trans-59.2111.5166.1-104.9-96.3000107.4M1 L5M1-F3 PolarHBondContact O-N 2.98Å; F3-L5 PolarHBondContact O-N 3.18Å
4N73.1Confident78.7Confident99 Ų99126.9 Ų126.953%0.52964%0.636SS.*  trans-71.498.9-176.2-173.3-22.1000109.2S2 Q6 S7 S8S2-N4 PolarHBondContact O-N 3.47Å; N4-Q6 PolarHBondContact O-N 3.07Å; N4-Q6 WeakPolarHBondContact OD1-CB 3.34Å; N4-Q6 PolarHBondContact OD1-N 3.01Å; N4-S7 WeakPolarHBondContact O-CA 3.46Å; N4-S7 VanDerWaalsContact O-CB 3.28Å; N4-S7 WeakPolarHBondContact O-CB 3.34Å; N4-S7 PolarHBondContact O-N 3.05Å; N4-S8 PolarHBondContact O-N 3.45Å; N4-S8 VanDerWaalsContact O-N 3.13Å
5L72.2Confident79.8Confident148 Ų148124.5 Ų124.578%0.77563%0.625SS**Hα-helixtrans-51.9-30.4-176.7-16570.5000113F3 K9F3-L5 PolarHBondContact O-N 3.18Å; L5-K9 WeakPolarHBondContact O-CB 3.36Å; L5-K9 PolarHBondContact O-N 3.35Å
6Q75.3Confident80.7Confident131 Ų131119.4 Ų119.461%0.61261%0.613SS**Hα-helixtrans-72.1-35.1176.8-165.8174.5800112.5N4 K10N4-Q6 PolarHBondContact O-N 3.07Å; N4-Q6 WeakPolarHBondContact OD1-CB 3.34Å; N4-Q6 PolarHBondContact OD1-N 3.01Å; Q6-K10 WeakPolarHBondContact O-CG 3.39Å; Q6-K10 PolarHBondContact O-N 2.96Å; Q6-K10 VanDerWaalsContact O-N 3.15Å
7S83.6Confident81.4Confident75 Ų75120.8 Ų120.852%0.52461%0.614SS.*Hα-helixtrans-67.5-45.8173-167.20000110.6N4 K9 K10 L11N4-S7 WeakPolarHBondContact O-CA 3.46Å; N4-S7 VanDerWaalsContact O-CB 3.28Å; N4-S7 WeakPolarHBondContact O-CB 3.34Å; N4-S7 PolarHBondContact O-N 3.05Å; S7-K9 VanDerWaalsContact C-N 3.34Å; S7-K9 PolarHBondContact O-N 3.49Å; S7-K10 PolarHBondContact O-N 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.44Å; S7-L11 PolarHBondContact O-N 3.34Å
8S86.8Confident82Confident32 Ų32116 Ų11622%0.22459%0.593CS.*Hα-helixtrans-60.1-42.9176.5-55.40000111.8N4 K10 L11 F12N4-S8 PolarHBondContact O-N 3.45Å; N4-S8 VanDerWaalsContact O-N 3.13Å; S8-K10 PolarHBondContact O-N 2.88Å; S8-L11 WeakPolarHBondContact O-CB 3.48Å; S8-L11 PolarHBondContact O-N 3.26Å; S8-F12 WeakPolarHBondContact O-CD2 3.49Å; S8-F12 PolarHBondContact O-N 3.47Å
9K90Very high82.6Confident145 Ų145115.4 Ų115.463%0.6359%0.591SS**Hα-helixtrans-61.7-44.4176.4-174.1176.3-179.9178.20112.5L5 S7 L11 F12 I13L5-K9 WeakPolarHBondContact O-CB 3.36Å; L5-K9 PolarHBondContact O-N 3.35Å; S7-K9 VanDerWaalsContact C-N 3.34Å; S7-K9 PolarHBondContact O-N 3.49Å; K9-L11 VanDerWaalsContact C-N 3.32Å; K9-L11 PolarHBondContact O-N 3.33Å; K9-F12 PolarHBondContact O-N 2.95Å; K9-I13 HydrophobicContact CG-CD1 4.08Å; K9-I13 VanDerWaalsContact O-CG1 3.32Å; K9-I13 WeakPolarHBondContact O-CG1 3.41Å; K9-I13 PolarHBondContact O-N 3.33Å
10K92Very high83.2Confident143 Ų143116.3 Ų116.362%0.62259%0.591SS**Hα-helixtrans-61.5-41.9175.6-74.9-179.3179.6-176.60111.4Q6 S7 S8 I13 F14Q6-K10 WeakPolarHBondContact O-CG 3.39Å; Q6-K10 PolarHBondContact O-N 2.96Å; Q6-K10 VanDerWaalsContact O-N 3.15Å; S7-K10 PolarHBondContact O-N 3.27Å; S8-K10 PolarHBondContact O-N 2.88Å; K10-I13 PolarHBondContact O-N 2.94Å; K10-F14 WeakPolarHBondContact O-CB 3.35Å; K10-F14 PolarHBondContact O-N 3.25Å
11L91.8Very high83.5Confident94 Ų94114.2 Ų114.249%0.49258%0.584SS.*Hα-helixtrans-62-46.3176.8-178.963000111.8S7 S8 K9 I13 F14 L15S7-L11 WeakPolarHBondContact O-CB 3.44Å; S7-L11 PolarHBondContact O-N 3.34Å; S8-L11 WeakPolarHBondContact O-CB 3.48Å; S8-L11 PolarHBondContact O-N 3.26Å; K9-L11 VanDerWaalsContact C-N 3.32Å; K9-L11 PolarHBondContact O-N 3.33Å; L11-I13 PolarHBondContact O-N 3.44Å; L11-F14 HydrophobicContact CD1-CD1 4.44Å; L11-F14 WeakPolarHBondContact O-CB 3.3Å; L11-F14 PolarHBondContact O-N 2.99Å; L11-L15 HydrophobicContact CD1-CD1 4.18Å; L11-L15 HydrophobicContact CD1-CG 4.17Å; L11-L15 HydrophobicContact CG-CD1 4Å; L11-L15 HydrophobicContact CG-CG 4.4Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.23Å; L11-L15 PolarHBondContact O-N 3.29Å
12F93.9Very high85.4Confident154 Ų154108.1 Ų108.168%0.67556%0.556SS**Hα-helixtrans-62.8-41.9176.8-79.4-66.6000112.7S8 K9 F14 L15 G16S8-F12 WeakPolarHBondContact O-CD2 3.49Å; S8-F12 PolarHBondContact O-N 3.47Å; K9-F12 PolarHBondContact O-N 2.95Å; F12-F14 VanDerWaalsContact C-N 3.34Å; F12-L15 PolarHBondContact O-N 3.33Å; F12-G16 PolarHBondContact O-N 3.45Å
13I92.4Very high87.4Confident88 Ų88106.7 Ų106.745%0.45154%0.538SS..Hα-helixtrans-62.1-43.9175.3-68.4167000110.6K9 K10 L11 K17K9-I13 HydrophobicContact CG-CD1 4.08Å; K9-I13 VanDerWaalsContact O-CG1 3.32Å; K9-I13 WeakPolarHBondContact O-CG1 3.41Å; K9-I13 PolarHBondContact O-N 3.33Å; K10-I13 PolarHBondContact O-N 2.94Å; L11-I13 PolarHBondContact O-N 3.44Å; I13-K17 HydrophobicContact CG2-CD 4.13Å; I13-K17 WeakPolarHBondContact O-CB 3.28Å; I13-K17 WeakPolarHBondContact O-CG 3.33Å; I13-K17 PolarHBondContact O-N 2.85Å
14F93.8Very high88.8Confident129 Ų129101.8 Ų101.857%0.56652%0.518SS*.Hα-helixtrans-59.8-54.8176.1168.6-102000111.2K10 L11 F12 G16 K17 S18K10-F14 WeakPolarHBondContact O-CB 3.35Å; K10-F14 PolarHBondContact O-N 3.25Å; L11-F14 HydrophobicContact CD1-CD1 4.44Å; L11-F14 WeakPolarHBondContact O-CB 3.3Å; L11-F14 PolarHBondContact O-N 2.99Å; F12-F14 VanDerWaalsContact C-N 3.34Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 3.23Å; F14-K17 PolarHBondContact O-N 3.07Å; F14-S18 WeakPolarHBondContact O-CB 3.25Å; F14-S18 PolarHBondContact O-N 3.46Å; F14-S18 PolarHBondContact O-OG 3.31Å; F14-S18 VanDerWaalsContact O-OG 3.05Å
15L94.9Very high89.5Confident90 Ų9099.9 Ų99.947%0.47152%0.516SS..Hα-helixtrans-58.5-43.1-179.5-69.7173.4000112.2L11 F12 S18 L19L11-L15 HydrophobicContact CD1-CD1 4.18Å; L11-L15 HydrophobicContact CD1-CG 4.17Å; L11-L15 HydrophobicContact CG-CD1 4Å; L11-L15 HydrophobicContact CG-CG 4.4Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.23Å; L11-L15 PolarHBondContact O-N 3.29Å; F12-L15 PolarHBondContact O-N 3.33Å; L15-S18 PolarHBondContact O-N 3.35Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 PolarHBondContact O-N 3.01Å
16G94.4Very high90.2Very high43 Ų4398.9 Ų98.944%0.44351%0.508SS..Hα-helixtrans-62.9-45.6176.800000112.6F12 F14 L19 F20F12-G16 PolarHBondContact O-N 3.45Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 3.23Å; G16-L19 PolarHBondContact O-N 3.49Å; G16-F20 WeakPolarHBondContact O-CB 3.49Å; G16-F20 PolarHBondContact O-N 2.86Å
17K92.8Very high90.8Very high143 Ų14396.9 Ų96.962%0.62250%0.501SS*.Hα-helixtrans-63.8-43.9175.2-75.7-177.5176.1-171.20111.9I13 F14 F20 T21I13-K17 HydrophobicContact CG2-CD 4.13Å; I13-K17 WeakPolarHBondContact O-CB 3.28Å; I13-K17 WeakPolarHBondContact O-CG 3.33Å; I13-K17 PolarHBondContact O-N 2.85Å; F14-K17 PolarHBondContact O-N 3.07Å; K17-F20 PolarHBondContact O-N 2.74Å; K17-T21 WeakPolarHBondContact O-CG2 3.17Å; K17-T21 PolarHBondContact O-N 2.78Å; K17-T21 PolarHBondContact O-OG1 2.96Å; K17-T21 VanDerWaalsContact O-OG1 3.11Å
18S91.9Very high90.9Very high35 Ų3597.7 Ų97.725%0.24550%0.495CS..Hα-helixtrans-59.8-47.7177.5-64.10000111.4F14 L15 F20 T21 L22F14-S18 WeakPolarHBondContact O-CB 3.25Å; F14-S18 PolarHBondContact O-N 3.46Å; F14-S18 PolarHBondContact O-OG 3.31Å; F14-S18 VanDerWaalsContact O-OG 3.05Å; L15-S18 PolarHBondContact O-N 3.35Å; S18-F20 VanDerWaalsContact C-N 3.35Å; S18-F20 PolarHBondContact O-N 2.92Å; S18-T21 WeakPolarHBondContact CA-OG1 3.43Å; S18-T21 PolarHBondContact O-N 2.96Å; S18-T21 PolarHBondContact O-OG1 2.97Å; S18-L22 VanDerWaalsContact O-CG 3.31Å; S18-L22 WeakPolarHBondContact O-CG 3.03Å; S18-L22 PolarHBondContact O-N 3.17Å
19L94.3Very high90.5Very high104 Ų104100.1 Ų100.155%0.54552%0.517SS..Hα-helixtrans-59.8-45.9176.4179.962000111.4L15 G16 T21 L22 L23L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 PolarHBondContact O-N 3.01Å; G16-L19 PolarHBondContact O-N 3.49Å; L19-T21 PolarHBondContact O-N 3.34Å; L19-L22 PolarHBondContact O-N 2.92Å; L19-L23 HydrophobicContact CD1-CD1 4.29Å; L19-L23 HydrophobicContact CD1-CG 4.31Å; L19-L23 HydrophobicContact CG-CD1 4.12Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.4Å
20F93.3Very high90.1Very high133 Ų133100.5 Ų100.558%0.58353%0.525SS*.Hα-helixtrans-57.7-48.6176.2178.6-93.6000111.9G16 K17 S18 L22 L23 E24G16-F20 WeakPolarHBondContact O-CB 3.49Å; G16-F20 PolarHBondContact O-N 2.86Å; K17-F20 PolarHBondContact O-N 2.74Å; S18-F20 VanDerWaalsContact C-N 3.35Å; S18-F20 PolarHBondContact O-N 2.92Å; F20-L22 VanDerWaalsContact C-N 3.3Å; F20-L22 PolarHBondContact O-N 3.02Å; F20-L23 PolarHBondContact O-N 3.43Å; F20-E24 WeakPolarHBondContact O-CB 3.33Å; F20-E24 PolarHBondContact O-N 3.31Å
21T89.8Confident89.8Confident73 Ų7398.8 Ų98.845%0.44852%0.523SS..Hα-helixtrans-64.2-33.1179.151.50000113.2K17 S18 L19 A25K17-T21 WeakPolarHBondContact O-CG2 3.17Å; K17-T21 PolarHBondContact O-N 2.78Å; K17-T21 PolarHBondContact O-OG1 2.96Å; K17-T21 VanDerWaalsContact O-OG1 3.11Å; S18-T21 WeakPolarHBondContact CA-OG1 3.43Å; S18-T21 PolarHBondContact O-N 2.96Å; S18-T21 PolarHBondContact O-OG1 2.97Å; L19-T21 PolarHBondContact O-N 3.34Å; T21-A25 WeakPolarHBondContact O-CB 3.47Å; T21-A25 PolarHBondContact O-N 2.88Å
22L90.6Very high89.1Confident110 Ų11099.6 Ų99.658%0.57653%0.534SS*.Hα-helixtrans-69.7-44.2175.7-73.1169.7000111.3S18 L19 F20 A25 M26S18-L22 VanDerWaalsContact O-CG 3.31Å; S18-L22 WeakPolarHBondContact O-CG 3.03Å; S18-L22 PolarHBondContact O-N 3.17Å; L19-L22 PolarHBondContact O-N 2.92Å; F20-L22 VanDerWaalsContact C-N 3.3Å; F20-L22 PolarHBondContact O-N 3.02Å; L22-A25 PolarHBondContact O-N 3.18Å; L22-M26 WeakPolarHBondContact O-CG 3.38Å; L22-M26 PolarHBondContact O-N 3.31Å
23L91.6Very high88.7Confident87 Ų8796 Ų9646%0.45552%0.518SS..Hα-helixtrans-63-43.1175.5-69172.3000111.3L19 F20 A25 M26 I27L19-L23 HydrophobicContact CD1-CD1 4.29Å; L19-L23 HydrophobicContact CD1-CG 4.31Å; L19-L23 HydrophobicContact CG-CD1 4.12Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.4Å; F20-L23 PolarHBondContact O-N 3.43Å; L23-A25 PolarHBondContact O-N 3.48Å; L23-M26 WeakPolarHBondContact O-CB 3.4Å; L23-M26 PolarHBondContact O-N 2.83Å; L23-I27 VanDerWaalsContact O-CG1 3.3Å; L23-I27 WeakPolarHBondContact O-CG1 3.36Å; L23-I27 PolarHBondContact O-N 3.01Å
24E87.6Confident88.5Confident82 Ų82100 Ų10038%0.38354%0.535SS..Hα-helixtrans-59.1-45.8174.4-176178.1-135.900111.4F20 M26 I27 F28F20-E24 WeakPolarHBondContact O-CB 3.33Å; F20-E24 PolarHBondContact O-N 3.31Å; E24-M26 VanDerWaalsContact C-N 3.34Å; E24-M26 PolarHBondContact O-N 3.04Å; E24-I27 PolarHBondContact O-N 3.4Å; E24-F28 HydrophobicContact CG-CD2 3.62Å; E24-F28 HydrophobicContact CG-CE2 3.42Å; E24-F28 VanDerWaalsContact CG-CE2 3.42Å; E24-F28 VanDerWaalsContact O-CD2 3.28Å; E24-F28 WeakPolarHBondContact O-CD2 3.46Å; E24-F28 PolarHBondContact O-N 2.99Å
25A85.8Confident88.6Confident59 Ų5997.9 Ų97.949%0.48853%0.526SS..Hα-helixtrans-61.8-39.8175.700000112.5T21 L22 L23 F28 A29T21-A25 WeakPolarHBondContact O-CB 3.47Å; T21-A25 PolarHBondContact O-N 2.88Å; L22-A25 PolarHBondContact O-N 3.18Å; L23-A25 PolarHBondContact O-N 3.48Å; A25-F28 PolarHBondContact O-N 3.28Å; A25-A29 WeakPolarHBondContact O-CB 3.41Å; A25-A29 PolarHBondContact O-N 2.92Å
26M87.8Confident88.7Confident126 Ų12696.1 Ų96.162%0.62152%0.515SS*.Hα-helixtrans-63.6-42.3174.8-72.5177.366.200112L22 L23 E24 A29 L30L22-M26 WeakPolarHBondContact O-CG 3.38Å; L22-M26 PolarHBondContact O-N 3.31Å; L23-M26 WeakPolarHBondContact O-CB 3.4Å; L23-M26 PolarHBondContact O-N 2.83Å; E24-M26 VanDerWaalsContact C-N 3.34Å; E24-M26 PolarHBondContact O-N 3.04Å; M26-A29 WeakPolarHBondContact O-CB 3.49Å; M26-A29 PolarHBondContact O-N 2.73Å; M26-L30 PolarHBondContact O-N 3.17Å
27I88.4Confident88.8Confident90 Ų90100 Ų10046%0.46253%0.526SS..Hα-helixtrans-61.5-49.5176.7-69164.4000110L23 E24 A29 L30 L31L23-I27 VanDerWaalsContact O-CG1 3.3Å; L23-I27 WeakPolarHBondContact O-CG1 3.36Å; L23-I27 PolarHBondContact O-N 3.01Å; E24-I27 PolarHBondContact O-N 3.4Å; I27-A29 VanDerWaalsContact C-N 3.26Å; I27-A29 PolarHBondContact O-N 2.82Å; I27-L30 PolarHBondContact O-N 3.24Å; I27-L30 VanDerWaalsContact O-N 3.07Å; I27-L31 HydrophobicContact CG2-CD1 4.23Å; I27-L31 PolarHBondContact O-N 3.38Å
28F84.8Confident89Confident91 Ų9193.4 Ų93.440%0.39950%0.497SS..Hα-helixtrans-76.9-8.6-179.5-66.9-54000114.6E24 A25 L30 L31 K33E24-F28 HydrophobicContact CG-CD2 3.62Å; E24-F28 HydrophobicContact CG-CE2 3.42Å; E24-F28 VanDerWaalsContact CG-CE2 3.42Å; E24-F28 VanDerWaalsContact O-CD2 3.28Å; E24-F28 WeakPolarHBondContact O-CD2 3.46Å; E24-F28 PolarHBondContact O-N 2.99Å; A25-F28 PolarHBondContact O-N 3.28Å; F28-L30 VanDerWaalsContact C-N 3.32Å; F28-L31 CarbonylContact C-O 3.37Å; F28-L31 WeakPolarHBondContact CA-O 3.5Å; F28-L31 VanDerWaalsContact O-O 3.08Å; F28-K33 HydrophobicContact CD1-CB 3.97Å; F28-K33 HydrophobicContact CD1-CG 4.31Å; F28-K33 HydrophobicContact CE1-CB 4.29Å; F28-K33 HydrophobicContact CE1-CG 4.23Å; F28-K33 HydrophobicContact CG-CB 4.43Å
29A79.7Confident89.2Confident83 Ų8394.3 Ų94.369%0.68651%0.506SS*.Hα-helixtrans-73.1-29.1165.600000111.6A25 M26 I27A25-A29 WeakPolarHBondContact O-CB 3.41Å; A25-A29 PolarHBondContact O-N 2.92Å; M26-A29 WeakPolarHBondContact O-CB 3.49Å; M26-A29 PolarHBondContact O-N 2.73Å; I27-A29 VanDerWaalsContact C-N 3.26Å; I27-A29 PolarHBondContact O-N 2.82Å
30L81.7Confident89.4Confident153 Ų15391.9 Ų91.980%0.80151%0.507SS*.Hα-helixtrans-96.6-35.9-179.3-63.5172.7000112.8M26 I27 F28M26-L30 PolarHBondContact O-N 3.17Å; I27-L30 PolarHBondContact O-N 3.24Å; I27-L30 VanDerWaalsContact O-N 3.07Å; F28-L30 VanDerWaalsContact C-N 3.32Å
31L84.1Confident89.6Confident108 Ų10887.5 Ų87.557%0.56549%0.488SS*.SBendtrans-113.6137.8-177.6-62.7176.5000111I27 F28 K33I27-L31 HydrophobicContact CG2-CD1 4.23Å; I27-L31 PolarHBondContact O-N 3.38Å; F28-L31 CarbonylContact C-O 3.37Å; F28-L31 WeakPolarHBondContact CA-O 3.5Å; F28-L31 VanDerWaalsContact O-O 3.08Å; L31-K33 PolarHBondContact O-N 3.01Å
32P77.6Confident90Very high111 Ų11185.1 Ų85.172%0.72147%0.472SS*.PPolyproline II helixtrans-64.8128.1177.226.7-32.4000110.3
33K85.3Confident90.4Very high78 Ų7879.9 Ų79.934%0.33945%0.445SS..PPolyproline II helixtrans-61.3142.9171.4-171.5176.7173.1-163.20109.7F28 L31 Q35 Q260F28-K33 HydrophobicContact CD1-CB 3.97Å; F28-K33 HydrophobicContact CD1-CG 4.31Å; F28-K33 HydrophobicContact CE1-CB 4.29Å; F28-K33 HydrophobicContact CE1-CG 4.23Å; F28-K33 HydrophobicContact CG-CB 4.43Å; L31-K33 PolarHBondContact O-N 3.01Å; K33-Q35 PolarHBondContact O-N 3.21Å; K33-Q260 HydrophobicContact CB-CB 4.4Å; K33-Q260 HydrophobicContact CB-CG 4.16Å; K33-Q260 WeakPolarHBondContact CD-O 3.27Å; K33-Q260 WeakPolarHBondContact CE-O 3.4Å; K33-Q260 PolarHBondContact NZ-O 3.13Å; K33-Q260 PolarHBondContact O-NE2 3.22Å
34Q89Confident90.8Very high173 Ų17375.8 Ų75.881%0.80842%0.423SS*.PPolyproline II helixtrans-56.4136.3176-173.1177.30.700110.5
35Q95Very high91.3Very high83 Ų8371.9 Ų71.939%0.38841%0.405SS..PPolyproline II helixtrans-88.2133.1175.5-70.1-178.78.900109.5K33 L259 Q260K33-Q35 PolarHBondContact O-N 3.21Å; Q35-L259 WeakPolarHBondContact CA-O 2.91Å; Q35-L259 HydrophobicContact CB-CB 3.8Å; Q35-L259 HydrophobicContact CB-CD1 4.34Å; Q35-L259 HydrophobicContact CG-CB 3.89Å; Q35-L259 HydrophobicContact CG-CD1 4.47Å; Q35-Q260 HydrophobicContact CG-CG 4.07Å
36K96.7Very high91.9Very high54 Ų5469.1 Ų69.124%0.23538%0.382CS..PPolyproline II helixtrans-69.9152.4171.870.9-177.3171.6-173.50111.3V38 H171 L259 E261K36-V38 HydrophobicContact CG-CG1 4.19Å; K36-H171 PolarHBondContact NZ-ND1 2.84Å; K36-L259 HydrophobicContact CG-CD2 4.27Å; K36-L259 PolarHBondContact N-O 3.41Å; K36-E261 HydrophobicContact CD-CG 4.16Å; K36-E261 WeakPolarHBondContact CD-OE1 3.33Å; K36-E261 IonicContact NZ-OE1 2.71Å; K36-E261 PolarHBondContact NZ-OE1 2.95Å
37N97Very high92.4Very high125 Ų12563.8 Ų63.867%0.66836%0.36SS*.PPolyproline II helixtrans-78138.5170.4-170.44.1000109.3A39N37-A39 WeakPolarHBondContact OD1-CB 3.4Å; N37-A39 PolarHBondContact OD1-N 3.05Å
38V97.4Very high92.9Very high3 Ų359.5 Ų59.52%0.01834%0.338CS..  trans-123.310.1177.9-660000112.6K36 G40 E41 F60 R63 S65 I121 L259K36-V38 HydrophobicContact CG-CG1 4.19Å; V38-G40 PolarHBondContact O-N 3.29Å; V38-E41 HydrophobicContact CB-CB 4.34Å; V38-E41 HydrophobicContact CB-CG 4.13Å; V38-E41 HydrophobicContact CG1-CG 4.43Å; V38-E41 WeakPolarHBondContact O-CB 3.4Å; V38-E41 PolarHBondContact O-N 3.04Å; V38-F60 HydrophobicContact CB-CD1 4.49Å; V38-F60 HydrophobicContact CB-CE1 4.39Å; V38-F60 HydrophobicContact CG1-CE1 4.33Å; V38-F60 HydrophobicContact CG2-CD1 3.96Å; V38-F60 HydrophobicContact CG2-CE1 4.08Å; V38-R63 HydrophobicContact CG2-CB 3.83Å; V38-S65 WeakPolarHBondContact CG2-OG 3.49Å; V38-S65 WeakPolarHBondContact O-CA 3.36Å; V38-S65 PolarHBondContact O-OG 3.3Å; V38-I121 HydrophobicContact CG1-CD1 3.84Å; V38-L259 HydrophobicContact CB-CD2 4.22Å; V38-L259 HydrophobicContact CG1-CD2 3.34Å; V38-L259 HydrophobicContact CG2-CD2 3.81Å
39A97.1Very high93.5Very high54 Ų5455.3 Ų55.345%0.44632%0.32SS..THydrogen-bonded Turntrans-60.4128172.300000109.8N37 E41 R63N37-A39 WeakPolarHBondContact OD1-CB 3.4Å; N37-A39 PolarHBondContact OD1-N 3.05Å; A39-E41 PolarHBondContact O-N 3.45Å; A39-R63 WeakPolarHBondContact CA-O 3.4Å
40G96.6Very high94.3Very high53 Ų5353.6 Ų53.655%0.54630%0.303SS..THydrogen-bonded Turntrans80-12.8-17700000115.8V38 G64V38-G40 PolarHBondContact O-N 3.29Å; G40-G64 PolarHBondContact N-O 2.89Å
41E98.3Very high95Very high42 Ų4247.8 Ų47.820%0.19628%0.28CS..  trans-64.5136.7175.1-65.3-68.5-178.100110.5V38 A39 V43 S65 V66 S120 H169V38-E41 HydrophobicContact CB-CB 4.34Å; V38-E41 HydrophobicContact CB-CG 4.13Å; V38-E41 HydrophobicContact CG1-CG 4.43Å; V38-E41 WeakPolarHBondContact O-CB 3.4Å; V38-E41 PolarHBondContact O-N 3.04Å; A39-E41 PolarHBondContact O-N 3.45Å; E41-V43 HydrophobicContact CB-CG2 4.45Å; E41-V43 PolarHBondContact O-N 3.01Å; E41-S65 WeakPolarHBondContact O-CB 3.45Å; E41-V66 PolarHBondContact O-N 2.98Å; E41-S120 WeakPolarHBondContact CB-OG 3.45Å; E41-S120 WeakPolarHBondContact OE2-CB 3.34Å; E41-S120 PolarHBondContact OE2-OG 3.49Å; E41-H169 VanDerWaalsContact CD-NE2 3.29Å; E41-H169 IonicContact OE1-CE1 3.94Å; E41-H169 PolarHBondContact OE1-CE1 3.27Å; E41-H169 IonicContact OE1-NE2 3.11Å; E41-H169 PolarHBondContact OE1-NE2 3.47Å; E41-H169 IonicContact OE2-CD2 3.05Å; E41-H169 IonicContact OE2-CE1 3.99Å; E41-H169 IonicContact OE2-NE2 3.91Å; E41-H169 PolarHBondContact OE2-NE2 2.93Å
42I98.8Very high95.6Very high23 Ų2343.5 Ų43.512%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-82.4108.9173.9-60.4170.7000108.6V66 V68 V116 D118 V119 S120 I121I42-V66 CarbonylContact C-O 3.42Å; I42-V66 WeakPolarHBondContact CA-O 3.41Å; I42-V66 HydrophobicContact CG1-CB 4.06Å; I42-V66 HydrophobicContact CG1-CG1 4.21Å; I42-V68 HydrophobicContact CG2-CG2 3.87Å; I42-V116 HydrophobicContact CD1-CG1 4.15Å; I42-V116 HydrophobicContact CG1-CG1 4.41Å; I42-V116 HydrophobicContact CG2-CG1 4.07Å; I42-D118 WeakPolarHBondContact CD1-O 3.43Å; I42-V119 HydrophobicContact CG2-CB 4.5Å; I42-V119 HydrophobicContact CG2-CG2 4.1Å; I42-S120 PolarHBondContact N-OG 3.44Å; I42-S120 PolarHBondContact O-N 3.29Å; I42-S120 PolarHBondContact O-OG 3.46Å; I42-I121 PolarHBondContact O-N 3.39Å
43V98.9Very high96.6Very high0 Ų038.3 Ų38.30%022%0.224CC..EExtended strand (participates in β ladder)trans-107.6112.3-177.5-174.60000109.5E41 I45 F60 V66 L67 V68 I121 I123E41-V43 HydrophobicContact CB-CG2 4.45Å; E41-V43 PolarHBondContact O-N 3.01Å; V43-I45 HydrophobicContact CG1-CD1 4.27Å; V43-I45 HydrophobicContact CG1-CG1 3.99Å; V43-F60 HydrophobicContact CG1-CD1 4.29Å; V43-F60 HydrophobicContact CG1-CD2 4.09Å; V43-F60 HydrophobicContact CG1-CE1 4.46Å; V43-F60 HydrophobicContact CG1-CE2 4.3Å; V43-F60 HydrophobicContact CG1-CG 4.1Å; V43-F60 HydrophobicContact CG1-CZ 4.48Å; V43-F60 HydrophobicContact CG2-CD1 3.83Å; V43-F60 HydrophobicContact CG2-CE1 4.18Å; V43-F60 HydrophobicContact CG2-CG 4.29Å; V43-V66 PolarHBondContact N-O 3.31Å; V43-L67 HydrophobicContact CB-CD2 4.18Å; V43-V68 PolarHBondContact O-N 2.87Å; V43-I121 CarbonylContact C-O 3.48Å; V43-I121 WeakPolarHBondContact CA-O 3.46Å; V43-I121 HydrophobicContact CB-CB 4.38Å; V43-I121 HydrophobicContact CG1-CB 4.16Å; V43-I121 HydrophobicContact CG1-CG2 4.15Å; V43-I121 HydrophobicContact CG2-CB 4.05Å; V43-I121 HydrophobicContact CG2-CD1 4.12Å; V43-I121 HydrophobicContact CG2-CG1 4.34Å; V43-I123 HydrophobicContact CG1-CD1 3.89Å; V43-I123 HydrophobicContact CG1-CG1 4.23Å
44L98.9Very high97.2Very high0 Ų036.5 Ų36.50%022%0.215CC..EExtended strand (participates in β ladder)trans-93.6130173.4-168153.8000110.4T46 V68 W70 V119 I121 L122 I123 F160L44-T46 HydrophobicContact CD2-CG2 3.74Å; L44-V68 CarbonylContact C-O 3.43Å; L44-V68 VanDerWaalsContact CA-O 3.26Å; L44-V68 WeakPolarHBondContact CA-O 3.35Å; L44-V68 HydrophobicContact CB-CB 4.12Å; L44-V68 HydrophobicContact CB-CG1 4.4Å; L44-V68 HydrophobicContact CD1-CB 4.34Å; L44-V68 HydrophobicContact CD1-CG1 3.75Å; L44-V68 HydrophobicContact CG-CB 4.06Å; L44-V68 HydrophobicContact CG-CG1 3.82Å; L44-W70 HydrophobicContact CD1-CD2 4.32Å; L44-W70 HydrophobicContact CD1-CZ2 3.93Å; L44-W70 HydrophobicContact CD2-CD2 4.16Å; L44-W70 HydrophobicContact CD2-CE3 4.47Å; L44-W70 HydrophobicContact CD2-CG 4.28Å; L44-V119 HydrophobicContact CB-CG1 3.68Å; L44-V119 HydrophobicContact CB-CG2 4.06Å; L44-V119 HydrophobicContact CD1-CG2 3.97Å; L44-I121 PolarHBondContact N-O 3.27Å; L44-L122 HydrophobicContact CB-CD1 4.26Å; L44-L122 HydrophobicContact CD2-CD1 3.61Å; L44-L122 HydrophobicContact CG-CD1 4.39Å; L44-I123 PolarHBondContact O-N 3.37Å; L44-F160 HydrophobicContact CD1-CE1 4.05Å; L44-F160 HydrophobicContact CD1-CE2 3.68Å; L44-F160 HydrophobicContact CD1-CZ 3.4Å; L44-F160 VanDerWaalsContact CD1-CZ 3.4Å
45I98.9Very high97.6Very high0 Ų029.6 Ų29.60%018%0.184CC..EExtended strand (participates in β ladder)trans-126.7118.9179.3-50.2179.1000109.1V43 L56 A57 F60 V68 W70 I123V43-I45 HydrophobicContact CG1-CD1 4.27Å; V43-I45 HydrophobicContact CG1-CG1 3.99Å; I45-L56 HydrophobicContact CD1-CB 4.19Å; I45-A57 VanDerWaalsContact CD1-CA 3.5Å; I45-A57 HydrophobicContact CD1-CB 3.9Å; I45-F60 HydrophobicContact CD1-CD2 4.44Å; I45-V68 PolarHBondContact N-O 3.37Å; I45-W70 PolarHBondContact O-N 2.95Å; I45-I123 HydrophobicContact CD1-CD1 4.32Å; I45-I123 HydrophobicContact CG1-CB 4.25Å; I45-I123 HydrophobicContact CG1-CD1 4.08Å; I45-I123 HydrophobicContact CG1-CG1 4.37Å; I45-I123 HydrophobicContact CG2-CB 4.44Å
46T98.9Very high97.8Very high1 Ų125.7 Ų25.71%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-86.6146.9172.767.80000111.1L44 S48 W70 I123 N125 A126 T156L44-T46 HydrophobicContact CD2-CG2 3.74Å; T46-S48 VanDerWaalsContact C-N 3.34Å; T46-W70 CarbonylContact C-O 3.52Å; T46-W70 HydrophobicContact CG2-CB 4.39Å; T46-W70 HydrophobicContact CG2-CE3 4.2Å; T46-I123 PolarHBondContact N-O 2.77Å; T46-I123 PolarHBondContact OG1-O 2.94Å; T46-N125 CarbonylContact O-C 3.38Å; T46-N125 VanDerWaalsContact O-CB 3.23Å; T46-N125 WeakPolarHBondContact O-CB 3.35Å; T46-N125 PolarHBondContact O-ND2 2.73Å; T46-N125 PolarHBondContact OG1-N 3.45Å; T46-A126 PolarHBondContact O-N 2.68Å; T46-A126 VanDerWaalsContact O-N 3.15Å; T46-A126 WeakPolarHBondContact OG1-CB 3.36Å; T46-A126 PolarHBondContact OG1-N 3.07Å; T46-T156 HydrophobicContact CG2-CG2 4.47Å
47G98.2Very high97.9Very high15 Ų1523.1 Ų23.116%0.15515%0.154CC..THydrogen-bonded Turntrans66.434.9-174.500000113.1G49 W70 D71 N125G47-G49 VanDerWaalsContact C-N 3.31Å; G47-W70 PolarHBondContact N-O 2.77Å; G47-D71 WeakPolarHBondContact CA-OD2 3.33Å; G47-N125 PolarHBondContact O-ND2 3.15Å
48S98.3Very high97.9Very high0 Ų018.2 Ų18.20%013%0.128CC..THydrogen-bonded Turntrans-79.1-8.7-174.649.30000114.7T46 S50 R54 L69 W70 D71 N77 T80T46-S48 VanDerWaalsContact C-N 3.34Å; S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 3.39Å; S48-R54 WeakPolarHBondContact O-CA 3.41Å; S48-R54 PolarHBondContact O-N 2.81Å; S48-L69 WeakPolarHBondContact OG-CA 3.35Å; S48-L69 WeakPolarHBondContact OG-CB 3.2Å; S48-W70 PolarHBondContact N-O 3.29Å; S48-W70 VanDerWaalsContact N-O 3.14Å; S48-W70 PolarHBondContact OG-N 2.89Å; S48-W70 VanDerWaalsContact OG-N 3.07Å; S48-W70 PolarHBondContact OG-O 2.83Å; S48-D71 PolarHBondContact N-OD2 2.89Å; S48-N77 PolarHBondContact OG-OD1 3.06Å; S48-T80 WeakPolarHBondContact O-CB 3.42Å; S48-T80 WeakPolarHBondContact O-CG2 3.43Å; S48-T80 PolarHBondContact O-OG1 3.11Å
49G97.4Very high97.9Very high3 Ų319.1 Ų19.13%0.03113%0.132CC..THydrogen-bonded Turntrans-74.1-12.8-17400000114.4G47 R54 D71 G76G47-G49 VanDerWaalsContact C-N 3.31Å; G49-R54 PolarHBondContact O-NH2 3.47Å; G49-D71 WeakPolarHBondContact CA-OD2 3.35Å; G49-D71 PolarHBondContact N-OD2 3.05Å; G49-G76 WeakPolarHBondContact CA-O 3.44Å; G49-G76 CarbonylContact O-C 3.25Å; G49-G76 VanDerWaalsContact O-O 3.13Å
50S96.2Very high98Very high47 Ų4716.6 Ų16.633%0.32911%0.111SC..SBendtrans-160.7177.9177.1670000112.8S48 G53 R54S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 3.39Å; S50-G53 PolarHBondContact O-N 2.74Å; S50-R54 PolarHBondContact O-N 3.44Å
51G95.9Very high98Very high31 Ų3114.1 Ų14.132%0.329%0.085SC..Hα-helixtrans53.9-136.2167.900000114G53 R54 L55G51-G53 PolarHBondContact O-N 3.47Å; G51-R54 PolarHBondContact O-N 3.08Å; G51-L55 WeakPolarHBondContact O-CG 3.25Å; G51-L55 PolarHBondContact O-N 3.45Å
52L97.1Very high97.9Very high18 Ų1819.6 Ų19.69%0.09410%0.104CC..Hα-helixtrans-60.7-43.3-178.1179.361.4000112.4R54 L55 L56 I175 I226 A251 I254L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 2.87Å; L52-L55 PolarHBondContact O-N 2.91Å; L52-L55 VanDerWaalsContact O-N 3.1Å; L52-L56 HydrophobicContact CD1-CD1 4.32Å; L52-L56 HydrophobicContact CD1-CD2 4.26Å; L52-L56 HydrophobicContact CD1-CG 4.01Å; L52-L56 HydrophobicContact CD2-CD1 4.49Å; L52-L56 HydrophobicContact CG-CD1 3.96Å; L52-L56 HydrophobicContact CG-CG 4.12Å; L52-L56 VanDerWaalsContact O-CG 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.37Å; L52-L56 PolarHBondContact O-N 3.33Å; L52-I175 HydrophobicContact CD2-CG2 3.96Å; L52-I226 HydrophobicContact CD1-CD1 4.49Å; L52-I226 HydrophobicContact CD2-CD1 4.02Å; L52-A251 HydrophobicContact CD1-CB 4Å; L52-I254 HydrophobicContact CD1-CD1 3.95Å; L52-I254 HydrophobicContact CD2-CD1 3.95Å
53G98.1Very high97.8Very high1 Ų121.7 Ų21.71%0.0111%0.111CC..Hα-helixtrans-60.2-41.4-178.500000112.8S50 G51 L56 A57 N125S50-G53 PolarHBondContact O-N 2.74Å; G51-G53 PolarHBondContact O-N 3.47Å; G53-L56 PolarHBondContact O-N 3.22Å; G53-A57 PolarHBondContact O-N 3.15Å; G53-N125 VanDerWaalsContact CA-ND2 3.3Å; G53-N125 WeakPolarHBondContact CA-ND2 3.28Å
54R98.3Very high97.6Very high40 Ų4023.5 Ų23.515%0.15113%0.129CC..Hα-helixtrans-59-49172.3176.2177.1-65.8-170.11.6111.1S48 G49 S50 G51 L52 L56 A57 L58 G76 E79 T80S48-R54 WeakPolarHBondContact O-CA 3.41Å; S48-R54 PolarHBondContact O-N 2.81Å; G49-R54 PolarHBondContact O-NH2 3.47Å; S50-R54 PolarHBondContact O-N 3.44Å; G51-R54 PolarHBondContact O-N 3.08Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 2.87Å; R54-L56 PolarHBondContact O-N 3.32Å; R54-A57 WeakPolarHBondContact O-CB 3.39Å; R54-A57 PolarHBondContact O-N 2.98Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.31Å; R54-G76 PolarHBondContact NH2-O 3.41Å; R54-G76 VanDerWaalsContact NH2-O 3.13Å; R54-E79 IonicContact CZ-OE1 3.86Å; R54-E79 IonicContact CZ-OE2 3.84Å; R54-E79 IonicContact NH1-OE1 3.85Å; R54-E79 PolarHBondContact NH1-OE1 3.46Å; R54-E79 IonicContact NH1-OE2 3.83Å; R54-E79 PolarHBondContact NH1-OE2 2.88Å; R54-E79 VanDerWaalsContact NH1-OE2 3.11Å; R54-E79 IonicContact NH2-OE1 3.2Å; R54-E79 IonicContact NH2-OE2 2.76Å; R54-E79 PolarHBondContact NH2-OE2 3.05Å; R54-T80 HydrophobicContact CB-CG2 4.26Å; R54-T80 HydrophobicContact CG-CG2 3.96Å; R54-T80 WeakPolarHBondContact CG-OG1 3.35Å; R54-T80 PolarHBondContact NE-OG1 3.01Å
55L98.2Very high97.6Very high29 Ų2923.5 Ų23.515%0.15213%0.129CC..Hα-helixtrans-65.7-37.7-178-64.8172.7000112.5G51 L52 A57 L58 Q59 P247 E248 A251G51-L55 WeakPolarHBondContact O-CG 3.25Å; G51-L55 PolarHBondContact O-N 3.45Å; L52-L55 PolarHBondContact O-N 2.91Å; L52-L55 VanDerWaalsContact O-N 3.1Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-L58 PolarHBondContact O-N 2.99Å; L55-Q59 WeakPolarHBondContact O-CG 3.43Å; L55-Q59 PolarHBondContact O-N 3.16Å; L55-P247 HydrophobicContact CD1-CB 3.3Å; L55-E248 HydrophobicContact CD2-CG 4.38Å; L55-A251 HydrophobicContact CB-CB 3.51Å; L55-A251 HydrophobicContact CD1-CB 4.46Å
56L98.5Very high97.6Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-60.8-44.6172.1-66.7176.3000110.8I45 L52 G53 R54 L58 Q59 F60 I123 A251 I254 V255I45-L56 HydrophobicContact CD1-CB 4.19Å; L52-L56 HydrophobicContact CD1-CD1 4.32Å; L52-L56 HydrophobicContact CD1-CD2 4.26Å; L52-L56 HydrophobicContact CD1-CG 4.01Å; L52-L56 HydrophobicContact CD2-CD1 4.49Å; L52-L56 HydrophobicContact CG-CD1 3.96Å; L52-L56 HydrophobicContact CG-CG 4.12Å; L52-L56 VanDerWaalsContact O-CG 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.37Å; L52-L56 PolarHBondContact O-N 3.33Å; G53-L56 PolarHBondContact O-N 3.22Å; R54-L56 PolarHBondContact O-N 3.32Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 2.86Å; L56-Q59 PolarHBondContact O-N 3.18Å; L56-F60 WeakPolarHBondContact O-CD2 3.43Å; L56-F60 PolarHBondContact O-N 2.84Å; L56-I123 HydrophobicContact CD1-CG2 4.06Å; L56-A251 HydrophobicContact CD2-CB 4.22Å; L56-I254 HydrophobicContact CD2-CB 4.09Å; L56-I254 HydrophobicContact CD2-CG2 3.73Å; L56-V255 HydrophobicContact CD2-CG2 3.78Å
57A98.5Very high97.6Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-56.8-45.9175.800000111.8I45 G53 R54 L55 Q59 F60 A61 L67 L69 T80I45-A57 VanDerWaalsContact CD1-CA 3.5Å; I45-A57 HydrophobicContact CD1-CB 3.9Å; G53-A57 PolarHBondContact O-N 3.15Å; R54-A57 WeakPolarHBondContact O-CB 3.39Å; R54-A57 PolarHBondContact O-N 2.98Å; L55-A57 VanDerWaalsContact C-N 3.35Å; A57-Q59 VanDerWaalsContact C-N 3.34Å; A57-Q59 PolarHBondContact O-N 3.34Å; A57-F60 PolarHBondContact O-N 3.05Å; A57-A61 WeakPolarHBondContact O-CB 3.47Å; A57-A61 PolarHBondContact O-N 3.17Å; A57-L67 HydrophobicContact CB-CD1 4.38Å; A57-L67 WeakPolarHBondContact O-CD1 3.29Å; A57-L69 HydrophobicContact CB-CD2 3.66Å; A57-T80 HydrophobicContact CB-CG2 3.79Å
58L98Very high97.6Very high23 Ų2323.2 Ų23.212%0.1213%0.125CC..Hα-helixtrans-65.3-35.5178.2-60.6-178.8000113R54 L55 L56 A61 R62 M83 A84R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.31Å; L55-L58 PolarHBondContact O-N 2.99Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 2.86Å; L58-A61 WeakPolarHBondContact O-CB 3.47Å; L58-A61 PolarHBondContact O-N 3.15Å; L58-R62 WeakPolarHBondContact O-CG 3.36Å; L58-R62 PolarHBondContact O-N 2.98Å; L58-M83 HydrophobicContact CD1-SD 4.48Å; L58-M83 HydrophobicContact CD2-CB 3.61Å; L58-A84 HydrophobicContact CD2-CB 4.28Å
59Q97.8Very high97.6Very high22 Ų2223.2 Ų23.210%0.10313%0.125CC..Hα-helixtrans-66.8-40.5175.9-71.8-68.6-16.700112L55 L56 A57 R63 A251 V255L55-Q59 WeakPolarHBondContact O-CG 3.43Å; L55-Q59 PolarHBondContact O-N 3.16Å; L56-Q59 PolarHBondContact O-N 3.18Å; A57-Q59 VanDerWaalsContact C-N 3.34Å; A57-Q59 PolarHBondContact O-N 3.34Å; Q59-R63 WeakPolarHBondContact O-CG 3.2Å; Q59-R63 PolarHBondContact O-NH1 2.95Å; Q59-A251 HydrophobicContact CG-CB 4.43Å; Q59-V255 HydrophobicContact CB-CB 4.34Å; Q59-V255 HydrophobicContact CB-CG1 4.48Å; Q59-V255 HydrophobicContact CB-CG2 3.7Å; Q59-V255 HydrophobicContact CG-CG2 4.33Å
60F98Very high97.7Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-73.8-33.4174.8-80.3-77.3000112.6V38 V43 I45 L56 A57 R62 R63 G64 S65 L67 I121 I123 V255 I258V38-F60 HydrophobicContact CB-CD1 4.49Å; V38-F60 HydrophobicContact CB-CE1 4.39Å; V38-F60 HydrophobicContact CG1-CE1 4.33Å; V38-F60 HydrophobicContact CG2-CD1 3.96Å; V38-F60 HydrophobicContact CG2-CE1 4.08Å; V43-F60 HydrophobicContact CG1-CD1 4.29Å; V43-F60 HydrophobicContact CG1-CD2 4.09Å; V43-F60 HydrophobicContact CG1-CE1 4.46Å; V43-F60 HydrophobicContact CG1-CE2 4.3Å; V43-F60 HydrophobicContact CG1-CG 4.1Å; V43-F60 HydrophobicContact CG1-CZ 4.48Å; V43-F60 HydrophobicContact CG2-CD1 3.83Å; V43-F60 HydrophobicContact CG2-CE1 4.18Å; V43-F60 HydrophobicContact CG2-CG 4.29Å; I45-F60 HydrophobicContact CD1-CD2 4.44Å; L56-F60 WeakPolarHBondContact O-CD2 3.43Å; L56-F60 PolarHBondContact O-N 2.84Å; A57-F60 PolarHBondContact O-N 3.05Å; F60-R62 PolarHBondContact O-N 2.94Å; F60-R63 CarbonylContact O-C 3.58Å; F60-R63 PolarHBondContact O-N 3.3Å; F60-G64 PolarHBondContact O-N 3.44Å; F60-S65 PolarHBondContact O-N 3.03Å; F60-L67 HydrophobicContact CB-CD2 3.68Å; F60-I121 HydrophobicContact CE1-CD1 4.24Å; F60-I123 HydrophobicContact CD2-CD1 4.09Å; F60-I123 HydrophobicContact CE2-CD1 3.4Å; F60-I123 HydrophobicContact CZ-CD1 4.03Å; F60-V255 HydrophobicContact CD2-CG2 4.11Å; F60-V255 HydrophobicContact CE2-CG1 4.39Å; F60-V255 HydrophobicContact CE2-CG2 3.69Å; F60-V255 HydrophobicContact CZ-CG1 4.27Å; F60-V255 HydrophobicContact CZ-CG2 4.3Å; F60-I258 HydrophobicContact CE2-CD1 4.32Å; F60-I258 HydrophobicContact CZ-CD1 4.26Å; F60-I258 HydrophobicContact CZ-CG2 4.13Å
61A97.6Very high97.8Very high1 Ų121.7 Ų21.71%0.00811%0.112CC..Hα-helixtrans-54.7-50.917300000111.5A57 L58 R63 G64 L67 A84 A87 V89A57-A61 WeakPolarHBondContact O-CB 3.47Å; A57-A61 PolarHBondContact O-N 3.17Å; L58-A61 WeakPolarHBondContact O-CB 3.47Å; L58-A61 PolarHBondContact O-N 3.15Å; A61-R63 PolarHBondContact O-N 3.36Å; A61-R63 VanDerWaalsContact O-N 3.07Å; A61-G64 PolarHBondContact O-N 3.12Å; A61-L67 HydrophobicContact CB-CD1 3.88Å; A61-A84 HydrophobicContact CB-CB 4Å; A61-A87 HydrophobicContact CB-CB 4.15Å; A61-V89 HydrophobicContact CB-CB 3.94Å; A61-V89 HydrophobicContact CB-CG1 4.42Å
62R95.8Very high97.9Very high158 Ų15824.6 Ų24.660%0.59612%0.123SC*.THydrogen-bonded Turntrans-62.3-16178.4-68.9172.4-173.3162.31.8114L58 F60 A87L58-R62 WeakPolarHBondContact O-CG 3.36Å; L58-R62 PolarHBondContact O-N 2.98Å; F60-R62 PolarHBondContact O-N 2.94Å; R62-A87 HydrophobicContact CG-CB 4.19Å
63R95.6Very high97.9Very high67 Ų6727.9 Ų27.925%0.25314%0.141SC..THydrogen-bonded Turntrans-101.36.2179.1-67.2172.8173.677.2-3.3112.7V38 A39 Q59 F60 A61 S65V38-R63 HydrophobicContact CG2-CB 3.83Å; A39-R63 WeakPolarHBondContact CA-O 3.4Å; Q59-R63 WeakPolarHBondContact O-CG 3.2Å; Q59-R63 PolarHBondContact O-NH1 2.95Å; F60-R63 CarbonylContact O-C 3.58Å; F60-R63 PolarHBondContact O-N 3.3Å; A61-R63 PolarHBondContact O-N 3.36Å; A61-R63 VanDerWaalsContact O-N 3.07Å; R63-S65 VanDerWaalsContact C-N 3.35Å; R63-S65 PolarHBondContact O-N 3.43Å
64G96.1Very high97.9Very high37 Ų3733.5 Ų33.538%0.38117%0.165SC..THydrogen-bonded Turntrans74.919.7174.500000114.6G40 F60 A61G40-G64 PolarHBondContact N-O 2.89Å; F60-G64 PolarHBondContact O-N 3.44Å; A61-G64 PolarHBondContact O-N 3.12Å
65S97.9Very high97.9Very high1 Ų138.9 Ų38.91%0.00719%0.192CC..PPolyproline II helixtrans-71.1154.2173.8-58.50000111.6V38 E41 F60 R63 V89V38-S65 WeakPolarHBondContact CG2-OG 3.49Å; V38-S65 WeakPolarHBondContact O-CA 3.36Å; V38-S65 PolarHBondContact O-OG 3.3Å; E41-S65 WeakPolarHBondContact O-CB 3.45Å; F60-S65 PolarHBondContact O-N 3.03Å; R63-S65 VanDerWaalsContact C-N 3.35Å; R63-S65 PolarHBondContact O-N 3.43Å; S65-V89 WeakPolarHBondContact O-CG2 3.48Å
66V98.6Very high97.9Very high10 Ų1038 Ų386%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-82.4124.2167.2177.80000108E41 I42 V43 R91 V116E41-V66 PolarHBondContact O-N 2.98Å; I42-V66 CarbonylContact C-O 3.42Å; I42-V66 WeakPolarHBondContact CA-O 3.41Å; I42-V66 HydrophobicContact CG1-CB 4.06Å; I42-V66 HydrophobicContact CG1-CG1 4.21Å; V43-V66 PolarHBondContact N-O 3.31Å; V66-R91 HydrophobicContact CB-CB 4.4Å; V66-R91 HydrophobicContact CG1-CB 3.85Å; V66-R91 HydrophobicContact CG2-CB 4.1Å; V66-V116 HydrophobicContact CG1-CG1 3.92Å
67L98.8Very high97.8Very high0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-101.1133.9-173.9-64.6-178.9000112.5V43 A57 F60 A61 L69 A84 V89 R91 V92 H93V43-L67 HydrophobicContact CB-CD2 4.18Å; A57-L67 HydrophobicContact CB-CD1 4.38Å; A57-L67 WeakPolarHBondContact O-CD1 3.29Å; F60-L67 HydrophobicContact CB-CD2 3.68Å; A61-L67 HydrophobicContact CB-CD1 3.88Å; L67-L69 HydrophobicContact CB-CD2 4.14Å; L67-L69 HydrophobicContact CB-CG 4.37Å; L67-A84 HydrophobicContact CD1-CB 3.84Å; L67-V89 HydrophobicContact CD1-CG1 4.49Å; L67-V89 HydrophobicContact CG-CG2 4.44Å; L67-R91 PolarHBondContact N-O 3.04Å; L67-V92 HydrophobicContact CB-CB 4.07Å; L67-V92 HydrophobicContact CB-CG2 3.8Å; L67-V92 HydrophobicContact CD1-CG2 4.47Å; L67-V92 CarbonylContact O-C 3.46Å; L67-V92 WeakPolarHBondContact O-CA 3.35Å; L67-H93 PolarHBondContact O-N 2.99Å
68V98.9Very high97.8Very high0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-118.8111.9168.1179.20000108I42 V43 L44 I45 H93 Y95 V112 V116I42-V68 HydrophobicContact CG2-CG2 3.87Å; V43-V68 PolarHBondContact O-N 2.87Å; L44-V68 CarbonylContact C-O 3.43Å; L44-V68 VanDerWaalsContact CA-O 3.26Å; L44-V68 WeakPolarHBondContact CA-O 3.35Å; L44-V68 HydrophobicContact CB-CB 4.12Å; L44-V68 HydrophobicContact CB-CG1 4.4Å; L44-V68 HydrophobicContact CD1-CB 4.34Å; L44-V68 HydrophobicContact CD1-CG1 3.75Å; L44-V68 HydrophobicContact CG-CB 4.06Å; L44-V68 HydrophobicContact CG-CG1 3.82Å; I45-V68 PolarHBondContact N-O 3.37Å; V68-H93 CarbonylContact C-O 3.51Å; V68-H93 WeakPolarHBondContact CA-O 3.45Å; V68-Y95 HydrophobicContact CG1-CD2 3.86Å; V68-Y95 HydrophobicContact CG1-CE2 3.86Å; V68-V112 HydrophobicContact CG1-CG1 4.04Å; V68-V112 HydrophobicContact CG1-CG2 3.65Å; V68-V112 HydrophobicContact CG2-CG1 4.13Å; V68-V116 HydrophobicContact CG2-CB 4.36Å; V68-V116 HydrophobicContact CG2-CG1 3.91Å; V68-V116 HydrophobicContact CG2-CG2 4.21Å
69L98.8Very high97.8Very high0 Ų045 Ų450%022%0.222CC..EExtended strand (participates in β ladder)trans-108.9116.8-169.5-57.3-176.1000109.6S48 A57 L67 N77 T80 C81 V92 H93 A94 Y95S48-L69 WeakPolarHBondContact OG-CA 3.35Å; S48-L69 WeakPolarHBondContact OG-CB 3.2Å; A57-L69 HydrophobicContact CB-CD2 3.66Å; L67-L69 HydrophobicContact CB-CD2 4.14Å; L67-L69 HydrophobicContact CB-CG 4.37Å; L69-N77 WeakPolarHBondContact CB-OD1 3.39Å; L69-N77 PolarHBondContact O-ND2 2.82Å; L69-T80 HydrophobicContact CD1-CG2 3.84Å; L69-C81 HydrophobicContact CD1-CB 4.24Å; L69-V92 HydrophobicContact CD1-CG2 3.53Å; L69-V92 HydrophobicContact CG-CG2 3.93Å; L69-H93 PolarHBondContact N-O 3.05Å; L69-A94 HydrophobicContact CB-CB 4.47Å; L69-A94 WeakPolarHBondContact O-CA 3.32Å; L69-Y95 PolarHBondContact O-N 2.92Å
70W98.8Very high97.8Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-112.2126.2178.6-76.119.6000110.6L44 I45 T46 G47 S48 Y95 C97 V105 V108 A109 V112 T156 F160L44-W70 HydrophobicContact CD1-CD2 4.32Å; L44-W70 HydrophobicContact CD1-CZ2 3.93Å; L44-W70 HydrophobicContact CD2-CD2 4.16Å; L44-W70 HydrophobicContact CD2-CE3 4.47Å; L44-W70 HydrophobicContact CD2-CG 4.28Å; I45-W70 PolarHBondContact O-N 2.95Å; T46-W70 CarbonylContact C-O 3.52Å; T46-W70 HydrophobicContact CG2-CB 4.39Å; T46-W70 HydrophobicContact CG2-CE3 4.2Å; G47-W70 PolarHBondContact N-O 2.77Å; S48-W70 PolarHBondContact N-O 3.29Å; S48-W70 VanDerWaalsContact N-O 3.14Å; S48-W70 PolarHBondContact OG-N 2.89Å; S48-W70 VanDerWaalsContact OG-N 3.07Å; S48-W70 PolarHBondContact OG-O 2.83Å; W70-Y95 AromaticContact CD1-CD2 3.94Å; W70-Y95 AromaticContact NE1-CD2 3.74Å; W70-C97 HydrophobicContact CB-CB 4.35Å; W70-C97 HydrophobicContact CD2-CB 4.06Å; W70-C97 HydrophobicContact CE3-CB 3.97Å; W70-C97 HydrophobicContact CG-CB 4.24Å; W70-V105 HydrophobicContact CH2-CG1 4.43Å; W70-V105 WeakPolarHBondContact CH2-O 3.44Å; W70-V105 HydrophobicContact CZ3-CB 4.45Å; W70-V105 HydrophobicContact CZ3-CG1 4.07Å; W70-V105 HydrophobicContact CZ3-CG2 4.4Å; W70-V108 HydrophobicContact CD2-CG1 4.26Å; W70-V108 VanDerWaalsContact CE2-CG1 3.48Å; W70-V108 HydrophobicContact CH2-CB 4.05Å; W70-V108 HydrophobicContact CH2-CG1 4.17Å; W70-V108 HydrophobicContact CZ2-CB 3.8Å; W70-V108 HydrophobicContact CZ2-CG1 3.44Å; W70-V108 VanDerWaalsContact CZ2-CG1 3.44Å; W70-A109 HydrophobicContact CH2-CB 4.01Å; W70-A109 HydrophobicContact CZ2-CB 4.39Å; W70-V112 HydrophobicContact CZ2-CG2 3.98Å; W70-T156 HydrophobicContact CZ3-CG2 4.27Å; W70-F160 HydrophobicContact CH2-CE2 4.02Å; W70-F160 AromaticContact CH2-CZ 3.88Å; W70-F160 HydrophobicContact CH2-CZ 3.88Å; W70-F160 HydrophobicContact CZ2-CE2 4.36Å; W70-F160 AromaticContact CZ2-CZ 3.85Å; W70-F160 HydrophobicContact CZ2-CZ 3.85Å
71D98.6Very high97.8Very high18 Ų1844.8 Ų44.810%0.09622%0.222CC..EExtended strand (participates in β ladder)trans-151.9155.2170.5-154.2-77.6000110.6G47 S48 G49 N73 N77 Y95 T96 C97G47-D71 WeakPolarHBondContact CA-OD2 3.33Å; S48-D71 PolarHBondContact N-OD2 2.89Å; G49-D71 WeakPolarHBondContact CA-OD2 3.35Å; G49-D71 PolarHBondContact N-OD2 3.05Å; D71-N73 WeakPolarHBondContact OD1-CB 3.36Å; D71-N73 PolarHBondContact OD1-N 3.45Å; D71-N77 HydrophobicContact CB-CB 3.82Å; D71-N77 PolarHBondContact N-ND2 2.86Å; D71-Y95 PolarHBondContact N-O 3.2Å; D71-T96 VanDerWaalsContact O-CA 3.28Å; D71-T96 WeakPolarHBondContact O-CA 3.35Å; D71-C97 CarbonylContact C-O 3.51Å; D71-C97 PolarHBondContact O-N 3.29Å
72V97.9Very high97.8Very high92 Ų9250.9 Ų50.956%0.55825%0.249SC*.SBendtrans-76.3-28.8172.968.10000111.2K74 C97 D98V72-K74 PolarHBondContact O-N 2.86Å; V72-C97 PolarHBondContact N-O 3.04Å; V72-D98 HydrophobicContact CG2-CB 4.12Å
73N97.5Very high97.9Very high87 Ų8746 Ų4647%0.46523%0.234SC..  trans-86.4101.2174.6-174-41.1000110D71 E75 G76 N77D71-N73 WeakPolarHBondContact OD1-CB 3.36Å; D71-N73 PolarHBondContact OD1-N 3.45Å; N73-E75 PolarHBondContact O-N 3.45Å; N73-E75 PolarHBondContact OD1-N 3.32Å; N73-E75 VanDerWaalsContact OD1-N 3.13Å; N73-G76 PolarHBondContact OD1-N 3.25Å; N73-N77 WeakPolarHBondContact O-CB 3.43Å; N73-N77 PolarHBondContact O-N 3.02Å; N73-N77 VanDerWaalsContact O-N 3.08Å
74K97.5Very high98Very high118 Ų11842.9 Ų42.951%0.51322%0.221SC..Hα-helixtrans-55.5-49.8179.2-178.6177.4172.1-176.40112.9V72 N77 E78 T96V72-K74 PolarHBondContact O-N 2.86Å; K74-N77 PolarHBondContact O-N 3.17Å; K74-E78 WeakPolarHBondContact CE-OE1 3.34Å; K74-E78 HydrophobicContact CG-CG 4.42Å; K74-E78 IonicContact NZ-OE1 3.83Å; K74-E78 WeakPolarHBondContact O-CG 3.39Å; K74-E78 PolarHBondContact O-N 2.79Å; K74-T96 HydrophobicContact CB-CG2 4.4Å
75E97.8Very high98Very high154 Ų15446 Ų4672%0.7223%0.226SC*.Hα-helixtrans-63.9-47-175.1-64.3178.7-179.600112N73 N77 E78 E79N73-E75 PolarHBondContact O-N 3.45Å; N73-E75 PolarHBondContact OD1-N 3.32Å; N73-E75 VanDerWaalsContact OD1-N 3.13Å; E75-N77 VanDerWaalsContact C-N 3.25Å; E75-N77 PolarHBondContact O-N 3.39Å; E75-E78 PolarHBondContact O-N 3.1Å; E75-E79 WeakPolarHBondContact O-CB 3.39Å; E75-E79 PolarHBondContact O-N 2.92Å
76G98Very high97.8Very high9 Ų953.7 Ų53.79%0.09326%0.262CS..Hα-helixtrans-63-33.9176.900000112.3G49 R54 N73 T80G49-G76 WeakPolarHBondContact CA-O 3.44Å; G49-G76 CarbonylContact O-C 3.25Å; G49-G76 VanDerWaalsContact O-O 3.13Å; R54-G76 PolarHBondContact NH2-O 3.41Å; R54-G76 VanDerWaalsContact NH2-O 3.13Å; N73-G76 PolarHBondContact OD1-N 3.25Å; G76-T80 PolarHBondContact O-N 2.83Å; G76-T80 PolarHBondContact O-OG1 3.05Å
77N97.8Very high97.4Very high2 Ų254.8 Ų54.81%0.01127%0.272CS..Hα-helixtrans-72.4-41176.6-153.222.3000112.5S48 L69 D71 N73 K74 E75 E79 T80 C81 Y95S48-N77 PolarHBondContact OG-OD1 3.06Å; L69-N77 WeakPolarHBondContact CB-OD1 3.39Å; L69-N77 PolarHBondContact O-ND2 2.82Å; D71-N77 HydrophobicContact CB-CB 3.82Å; D71-N77 PolarHBondContact N-ND2 2.86Å; N73-N77 WeakPolarHBondContact O-CB 3.43Å; N73-N77 PolarHBondContact O-N 3.02Å; N73-N77 VanDerWaalsContact O-N 3.08Å; K74-N77 PolarHBondContact O-N 3.17Å; E75-N77 VanDerWaalsContact C-N 3.25Å; E75-N77 PolarHBondContact O-N 3.39Å; N77-E79 VanDerWaalsContact C-N 3.31Å; N77-T80 PolarHBondContact O-N 3.15Å; N77-C81 WeakPolarHBondContact O-CB 3.37Å; N77-C81 PolarHBondContact O-N 3.11Å; N77-Y95 PolarHBondContact ND2-O 2.81Å
78E97.8Very high96.6Very high84 Ų8457.6 Ų57.639%0.39330%0.301SS..Hα-helixtrans-64.3-36.4173.4-74177.3175.700111.8K74 E75 C81 K82K74-E78 WeakPolarHBondContact CE-OE1 3.34Å; K74-E78 HydrophobicContact CG-CG 4.42Å; K74-E78 IonicContact NZ-OE1 3.83Å; K74-E78 WeakPolarHBondContact O-CG 3.39Å; K74-E78 PolarHBondContact O-N 2.79Å; E75-E78 PolarHBondContact O-N 3.1Å; E78-C81 WeakPolarHBondContact O-CB 3.12Å; E78-C81 PolarHBondContact O-N 2.96Å; E78-K82 WeakPolarHBondContact O-CG 3.46Å; E78-K82 PolarHBondContact O-N 3.16Å
79E98.2Very high96.1Very high86 Ų8658 Ų5840%0.40230%0.303SS..Hα-helixtrans-62.9-48.3172.5-167.1-163.8166.600111.1R54 E75 N77 C81 K82 M83R54-E79 IonicContact CZ-OE1 3.86Å; R54-E79 IonicContact CZ-OE2 3.84Å; R54-E79 IonicContact NH1-OE1 3.85Å; R54-E79 PolarHBondContact NH1-OE1 3.46Å; R54-E79 IonicContact NH1-OE2 3.83Å; R54-E79 PolarHBondContact NH1-OE2 2.88Å; R54-E79 VanDerWaalsContact NH1-OE2 3.11Å; R54-E79 IonicContact NH2-OE1 3.2Å; R54-E79 IonicContact NH2-OE2 2.76Å; R54-E79 PolarHBondContact NH2-OE2 3.05Å; E75-E79 WeakPolarHBondContact O-CB 3.39Å; E75-E79 PolarHBondContact O-N 2.92Å; N77-E79 VanDerWaalsContact C-N 3.31Å; E79-C81 VanDerWaalsContact C-N 3.26Å; E79-C81 PolarHBondContact O-N 3.33Å; E79-K82 PolarHBondContact O-N 3.06Å; E79-M83 HydrophobicContact CG-CE 3.88Å; E79-M83 WeakPolarHBondContact O-CG 3.34Å; E79-M83 PolarHBondContact O-N 3.33Å; E79-M83 WeakPolarHBondContact OE1-CE 3.49Å
80T98.4Very high95.2Very high0 Ų064.4 Ų64.40%034%0.342CS..Hα-helixtrans-57.7-40.4173.8-61.90000111.5S48 R54 A57 L69 G76 N77 M83 A84S48-T80 WeakPolarHBondContact O-CB 3.42Å; S48-T80 WeakPolarHBondContact O-CG2 3.43Å; S48-T80 PolarHBondContact O-OG1 3.11Å; R54-T80 HydrophobicContact CB-CG2 4.26Å; R54-T80 HydrophobicContact CG-CG2 3.96Å; R54-T80 WeakPolarHBondContact CG-OG1 3.35Å; R54-T80 PolarHBondContact NE-OG1 3.01Å; A57-T80 HydrophobicContact CB-CG2 3.79Å; L69-T80 HydrophobicContact CD1-CG2 3.84Å; G76-T80 PolarHBondContact O-N 2.83Å; G76-T80 PolarHBondContact O-OG1 3.05Å; N77-T80 PolarHBondContact O-N 3.15Å; T80-M83 PolarHBondContact O-N 2.92Å; T80-A84 WeakPolarHBondContact O-CB 3.39Å; T80-A84 PolarHBondContact O-N 3.32Å
81C97.8Very high95.1Very high17 Ų1769.7 Ų69.712%0.11536%0.363CS..Hα-helixtrans-58.5-48.1176.8-1760000111.7L69 N77 E78 E79 A84 Q85 V92 A94L69-C81 HydrophobicContact CD1-CB 4.24Å; N77-C81 WeakPolarHBondContact O-CB 3.37Å; N77-C81 PolarHBondContact O-N 3.11Å; E78-C81 WeakPolarHBondContact O-CB 3.12Å; E78-C81 PolarHBondContact O-N 2.96Å; E79-C81 VanDerWaalsContact C-N 3.26Å; E79-C81 PolarHBondContact O-N 3.33Å; C81-A84 PolarHBondContact O-N 2.85Å; C81-Q85 WeakPolarHBondContact O-CG 3.46Å; C81-Q85 PolarHBondContact O-N 2.94Å; C81-V92 HydrophobicContact CB-CG2 4.3Å; C81-V92 WeakPolarHBondContact SG-CG1 3.49Å; C81-A94 HydrophobicContact CB-CB 4.16Å
82K97.7Very high95.1Very high128 Ų12869.7 Ų69.756%0.55736%0.363SS*.Hα-helixtrans-60.9-47.9176.4-69.7173.3-176.1175.30111.9E78 E79 A84 Q85 E86E78-K82 WeakPolarHBondContact O-CG 3.46Å; E78-K82 PolarHBondContact O-N 3.16Å; E79-K82 PolarHBondContact O-N 3.06Å; K82-A84 PolarHBondContact O-N 3.41Å; K82-Q85 WeakPolarHBondContact O-CB 3.46Å; K82-Q85 PolarHBondContact O-N 3.33Å; K82-Q85 VanDerWaalsContact O-N 3.13Å; K82-E86 WeakPolarHBondContact O-CG 3.43Å; K82-E86 PolarHBondContact O-N 2.89Å
83M97.9Very high95.1Very high57 Ų5767.7 Ų67.728%0.28135%0.347SS..Hα-helixtrans-59.6-36.6177.3-66.2-176.3-177.500112.2L58 E79 T80 E86 A87L58-M83 HydrophobicContact CD1-SD 4.48Å; L58-M83 HydrophobicContact CD2-CB 3.61Å; E79-M83 HydrophobicContact CG-CE 3.88Å; E79-M83 WeakPolarHBondContact O-CG 3.34Å; E79-M83 PolarHBondContact O-N 3.33Å; E79-M83 WeakPolarHBondContact OE1-CE 3.49Å; T80-M83 PolarHBondContact O-N 2.92Å; M83-E86 PolarHBondContact O-N 2.91Å; M83-A87 WeakPolarHBondContact O-CB 3.08Å; M83-A87 PolarHBondContact O-N 3.47Å
84A97Very high95.1Very high0 Ų065.5 Ų65.50%034%0.341CS..Hα-helixtrans-68.1-39.3177.100000112.1L58 A61 L67 T80 C81 K82 A87 G88 V89 V92L58-A84 HydrophobicContact CD2-CB 4.28Å; A61-A84 HydrophobicContact CB-CB 4Å; L67-A84 HydrophobicContact CD1-CB 3.84Å; T80-A84 WeakPolarHBondContact O-CB 3.39Å; T80-A84 PolarHBondContact O-N 3.32Å; C81-A84 PolarHBondContact O-N 2.85Å; K82-A84 PolarHBondContact O-N 3.41Å; A84-A87 PolarHBondContact O-N 2.93Å; A84-G88 PolarHBondContact O-N 3.26Å; A84-V89 HydrophobicContact CB-CG1 4.02Å; A84-V89 VanDerWaalsContact O-CG1 3.27Å; A84-V89 WeakPolarHBondContact O-CG1 3.31Å; A84-V89 PolarHBondContact O-N 3.49Å; A84-V92 HydrophobicContact CB-CG2 4.47Å
85Q95.5Very high95.2Very high104 Ų10460.6 Ų60.649%0.48632%0.32SS..Hα-helixtrans-62.4-45.5173.4-68.7170.1-22.400111.1C81 K82 A87 G88 V92C81-Q85 WeakPolarHBondContact O-CG 3.46Å; C81-Q85 PolarHBondContact O-N 2.94Å; K82-Q85 WeakPolarHBondContact O-CB 3.46Å; K82-Q85 PolarHBondContact O-N 3.33Å; K82-Q85 VanDerWaalsContact O-N 3.13Å; Q85-A87 PolarHBondContact O-N 3.4Å; Q85-G88 PolarHBondContact O-N 3.48Å; Q85-V92 HydrophobicContact CG-CG1 3.43Å; Q85-V92 VanDerWaalsContact CG-CG1 3.43Å
86E94.6Very high95.2Very high162 Ų16256.1 Ų56.176%0.75730%0.303SS*.Hα-helixtrans-62.4-31.4175.6-69.8170.4-178.400112.4K82 M83 G88K82-E86 WeakPolarHBondContact O-CG 3.43Å; K82-E86 PolarHBondContact O-N 2.89Å; M83-E86 PolarHBondContact O-N 2.91Å; E86-G88 PolarHBondContact O-N 2.85Å
87A90.1Very high95.2Very high33 Ų3355.8 Ų55.827%0.27330%0.299SS..THydrogen-bonded Turntrans-74.9-0.5174.100000114.1A61 R62 M83 A84 Q85A61-A87 HydrophobicContact CB-CB 4.15Å; R62-A87 HydrophobicContact CG-CB 4.19Å; M83-A87 WeakPolarHBondContact O-CB 3.08Å; M83-A87 PolarHBondContact O-N 3.47Å; A84-A87 PolarHBondContact O-N 2.93Å; Q85-A87 PolarHBondContact O-N 3.4Å
88G81.8Confident95.2Very high58 Ų5857.7 Ų57.760%0.59831%0.31SS*.THydrogen-bonded Turntrans102.39.8171.100000115.7A84 Q85 E86A84-G88 PolarHBondContact O-N 3.26Å; Q85-G88 PolarHBondContact O-N 3.48Å; E86-G88 PolarHBondContact O-N 2.85Å
89V88Confident95.2Very high8 Ų854.1 Ų54.15%0.04829%0.293CS..  trans-76.8133.9176.486.50000111.2A61 S65 L67 A84 V92A61-V89 HydrophobicContact CB-CB 3.94Å; A61-V89 HydrophobicContact CB-CG1 4.42Å; S65-V89 WeakPolarHBondContact O-CG2 3.48Å; L67-V89 HydrophobicContact CD1-CG1 4.49Å; L67-V89 HydrophobicContact CG-CG2 4.44Å; A84-V89 HydrophobicContact CB-CG1 4.02Å; A84-V89 VanDerWaalsContact O-CG1 3.27Å; A84-V89 WeakPolarHBondContact O-CG1 3.31Å; A84-V89 PolarHBondContact O-N 3.49Å; V89-V92 HydrophobicContact CG1-CB 3.9Å; V89-V92 HydrophobicContact CG1-CG1 3.93Å
90T80.9Confident95.2Very high135 Ų13550.6 Ų50.683%0.82828%0.279SS*.SBendtrans-85-26.4-179.652.70000113.2
91R96.3Very high95.2Very high112 Ų11255.2 Ų55.242%0.42330%0.3SS..  trans-133.7111.5-177.2-65.917661.5-171.2-0.9110.9V66 L67V66-R91 HydrophobicContact CB-CB 4.4Å; V66-R91 HydrophobicContact CG1-CB 3.85Å; V66-R91 HydrophobicContact CG2-CB 4.1Å; L67-R91 PolarHBondContact N-O 3.04Å
92V97.9Very high95.2Very high17 Ų1758.6 Ų58.610%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-137.1135.7172.654.80000109.5L67 L69 C81 A84 Q85 V89L67-V92 HydrophobicContact CB-CB 4.07Å; L67-V92 HydrophobicContact CB-CG2 3.8Å; L67-V92 HydrophobicContact CD1-CG2 4.47Å; L67-V92 CarbonylContact O-C 3.46Å; L67-V92 WeakPolarHBondContact O-CA 3.35Å; L69-V92 HydrophobicContact CD1-CG2 3.53Å; L69-V92 HydrophobicContact CG-CG2 3.93Å; C81-V92 HydrophobicContact CB-CG2 4.3Å; C81-V92 WeakPolarHBondContact SG-CG1 3.49Å; A84-V92 HydrophobicContact CB-CG2 4.47Å; Q85-V92 HydrophobicContact CG-CG1 3.43Å; Q85-V92 VanDerWaalsContact CG-CG1 3.43Å; V89-V92 HydrophobicContact CG1-CB 3.9Å; V89-V92 HydrophobicContact CG1-CG1 3.93Å
93H98.3Very high95.3Very high50 Ų5058.1 Ų58.123%0.23131%0.313CS..EExtended strand (participates in β ladder)trans-126.9122.1-177.5-57.9-95000108.5L67 V68 L69 Y95 V116L67-H93 PolarHBondContact O-N 2.99Å; V68-H93 CarbonylContact C-O 3.51Å; V68-H93 WeakPolarHBondContact CA-O 3.45Å; L69-H93 PolarHBondContact N-O 3.05Å; H93-Y95 HydrophobicContact CB-CD2 4.45Å; H93-Y95 HydrophobicContact CB-CE2 3.59Å; H93-V116 HydrophobicContact CB-CG2 4.15Å
94A98.3Very high95.3Very high41 Ų4158 Ų5834%0.33931%0.311SS..EExtended strand (participates in β ladder)trans-106.6128.6178.300000110.2L69 C81L69-A94 HydrophobicContact CB-CB 4.47Å; L69-A94 WeakPolarHBondContact O-CA 3.32Å; C81-A94 HydrophobicContact CB-CB 4.16Å
95Y98.6Very high95.4Very high16 Ų1658 Ų586%0.06331%0.311CS..EExtended strand (participates in β ladder)trans-122.2133.4177.2-60.5-87.5000109.6V68 L69 W70 D71 N77 H93 C97 V108 Q111 V112 E115 V116V68-Y95 HydrophobicContact CG1-CD2 3.86Å; V68-Y95 HydrophobicContact CG1-CE2 3.86Å; L69-Y95 PolarHBondContact O-N 2.92Å; W70-Y95 AromaticContact CD1-CD2 3.94Å; W70-Y95 AromaticContact NE1-CD2 3.74Å; D71-Y95 PolarHBondContact N-O 3.2Å; N77-Y95 PolarHBondContact ND2-O 2.81Å; H93-Y95 HydrophobicContact CB-CD2 4.45Å; H93-Y95 HydrophobicContact CB-CE2 3.59Å; Y95-C97 PolarHBondContact O-N 3.42Å; Y95-V108 HydrophobicContact CD1-CG1 4.03Å; Y95-V108 HydrophobicContact CG-CG1 3.86Å; Y95-Q111 HydrophobicContact CD1-CG 4.48Å; Y95-Q111 HydrophobicContact CE1-CG 3.84Å; Y95-V112 HydrophobicContact CD2-CG2 3.93Å; Y95-V112 HydrophobicContact CE2-CG2 3.64Å; Y95-V112 HydrophobicContact CG-CG2 4.49Å; Y95-E115 VanDerWaalsContact CE1-OE2 3.29Å; Y95-E115 WeakPolarHBondContact CE1-OE2 3.46Å; Y95-E115 PolarHBondContact OH-OE2 3.05Å; Y95-V116 WeakPolarHBondContact OH-CG2 3.35Å
96T98.4Very high95.5Very high60 Ų6056.3 Ų56.337%0.36830%0.301SS..EExtended strand (participates in β ladder)trans-78.1120.3166.5-50.60000108.2D71 K74D71-T96 VanDerWaalsContact O-CA 3.28Å; D71-T96 WeakPolarHBondContact O-CA 3.35Å; K74-T96 HydrophobicContact CB-CG2 4.4Å
97C98.4Very high95.7Very high1 Ų154.9 Ų54.91%0.00729%0.289CS..  trans-146.8116.5-178.4-173.40000110.2W70 D71 V72 Y95 C99 E104 V108W70-C97 HydrophobicContact CB-CB 4.35Å; W70-C97 HydrophobicContact CD2-CB 4.06Å; W70-C97 HydrophobicContact CE3-CB 3.97Å; W70-C97 HydrophobicContact CG-CB 4.24Å; D71-C97 CarbonylContact C-O 3.51Å; D71-C97 PolarHBondContact O-N 3.29Å; V72-C97 PolarHBondContact N-O 3.04Å; Y95-C97 PolarHBondContact O-N 3.42Å; C97-C99 PolarHBondContact O-N 3.34Å; C97-E104 VanDerWaalsContact CA-OE1 3.29Å; C97-E104 WeakPolarHBondContact CA-OE1 3.44Å; C97-V108 HydrophobicContact CB-CB 4.46Å; C97-V108 HydrophobicContact CB-CG1 4.37Å; C97-V108 HydrophobicContact CB-CG2 4.13Å
98D98.3Very high96.1Very high43 Ų4353.4 Ų53.423%0.2328%0.276CS..  trans-75.1105.4163.9-165.3-15.6000110.1V72 S100 Q101 E104V72-D98 HydrophobicContact CG2-CB 4.12Å; D98-S100 PolarHBondContact O-N 2.91Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 3.4Å; D98-S100 PolarHBondContact OD1-OG 2.98Å; D98-Q101 HydrophobicContact CB-CG 4.18Å; D98-Q101 PolarHBondContact O-N 3.19Å; D98-Q101 VanDerWaalsContact O-N 3.12Å; D98-E104 VanDerWaalsContact N-CD 3.34Å; D98-E104 PolarHBondContact N-OE1 2.81Å
99C97.6Very high97Very high8 Ų850.6 Ų50.65%0.05425%0.248CC..THydrogen-bonded Turntrans-68.7-10.4179.3-69.90000113.3C97 A126 A152 W155C97-C99 PolarHBondContact O-N 3.34Å; C99-A126 HydrophobicContact CB-CB 4.34Å; C99-A152 HydrophobicContact CB-CB 3.92Å; C99-A152 VanDerWaalsContact O-CB 3.3Å; C99-A152 WeakPolarHBondContact O-CB 3.36Å; C99-W155 WeakPolarHBondContact O-CZ3 3.37Å
100S97.8Very high97.5Very high13 Ų1353.9 Ų53.99%0.09127%0.265CS..THydrogen-bonded Turntrans-78-10.8172.2910000112.8D98 W155D98-S100 PolarHBondContact O-N 2.91Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 3.4Å; D98-S100 PolarHBondContact OD1-OG 2.98Å; S100-W155 WeakPolarHBondContact O-CH2 2.83Å; S100-W155 WeakPolarHBondContact O-CZ3 3.28Å
101Q98.3Very high98.3Very high97 Ų9750.3 Ų50.345%0.45324%0.239SC..  trans-109.2109.3-176.5-58.3-64.916.700111.4D98 E103 E104 V105D98-Q101 HydrophobicContact CB-CG 4.18Å; D98-Q101 PolarHBondContact O-N 3.19Å; D98-Q101 VanDerWaalsContact O-N 3.12Å; Q101-E103 PolarHBondContact O-N 3.06Å; Q101-E104 HydrophobicContact CB-CB 3.88Å; Q101-E104 PolarHBondContact O-N 3.05Å; Q101-E104 VanDerWaalsContact O-N 3.13Å; Q101-V105 PolarHBondContact O-N 3.08Å
102K98.4Very high98.4Very high87 Ų8745 Ų4538%0.37822%0.219SC..Hα-helixtrans-53.8-48.8-178.1-179.9-17073.5-162.50112.5E104 V105 Y106 W155K102-E104 VanDerWaalsContact C-N 3.28Å; K102-E104 PolarHBondContact O-N 2.78Å; K102-V105 PolarHBondContact O-N 3.03Å; K102-Y106 HydrophobicContact CD-CE2 4.22Å; K102-Y106 HydrophobicContact CG-CD2 3.9Å; K102-Y106 HydrophobicContact CG-CE2 3.55Å; K102-Y106 WeakPolarHBondContact O-CD2 3.31Å; K102-Y106 PolarHBondContact O-N 2.86Å; K102-Y106 VanDerWaalsContact O-N 3.13Å; K102-W155 HydrophobicContact CB-CD2 3.78Å; K102-W155 HydrophobicContact CB-CE3 4.14Å; K102-W155 HydrophobicContact CB-CG 4.29Å; K102-W155 HydrophobicContact CB-CH2 4.11Å; K102-W155 HydrophobicContact CB-CZ2 3.72Å; K102-W155 HydrophobicContact CB-CZ3 4.3Å; K102-W155 HydrophobicContact CG-CD2 3.96Å; K102-W155 HydrophobicContact CG-CG 3.95Å; K102-W155 HydrophobicContact CG-CZ2 4.36Å
103E98.5Very high98.5Very high119 Ų11947.8 Ų47.856%0.55623%0.229SC*.Hα-helixtrans-62.3-37.6-178.5-70.868.7-155.500111.3Q101 R107Q101-E103 PolarHBondContact O-N 3.06Å; E103-R107 WeakPolarHBondContact O-CB 3.39Å; E103-R107 PolarHBondContact O-N 3.15Å
104E98.3Very high98.5Very high53 Ų5353.9 Ų53.925%0.24826%0.255CS..Hα-helixtrans-69.8-44.3177.5-165.2171.6160.700111.6C97 D98 Q101 K102 Y106 R107 V108C97-E104 VanDerWaalsContact CA-OE1 3.29Å; C97-E104 WeakPolarHBondContact CA-OE1 3.44Å; D98-E104 VanDerWaalsContact N-CD 3.34Å; D98-E104 PolarHBondContact N-OE1 2.81Å; Q101-E104 HydrophobicContact CB-CB 3.88Å; Q101-E104 PolarHBondContact O-N 3.05Å; Q101-E104 VanDerWaalsContact O-N 3.13Å; K102-E104 VanDerWaalsContact C-N 3.28Å; K102-E104 PolarHBondContact O-N 2.78Å; E104-Y106 VanDerWaalsContact C-N 3.33Å; E104-Y106 PolarHBondContact O-N 3.3Å; E104-R107 PolarHBondContact O-N 2.87Å; E104-V108 HydrophobicContact CG-CG2 4.25Å; E104-V108 WeakPolarHBondContact O-CG2 3.48Å; E104-V108 PolarHBondContact O-N 3.12Å
105V98.8Very high98.5Very high0 Ų056.9 Ų56.90%026%0.262CS..Hα-helixtrans-54.8-47.5174.9167.30000111.4W70 Q101 K102 A109 W155 T156W70-V105 HydrophobicContact CH2-CG1 4.43Å; W70-V105 WeakPolarHBondContact CH2-O 3.44Å; W70-V105 HydrophobicContact CZ3-CB 4.45Å; W70-V105 HydrophobicContact CZ3-CG1 4.07Å; W70-V105 HydrophobicContact CZ3-CG2 4.4Å; Q101-V105 PolarHBondContact O-N 3.08Å; K102-V105 PolarHBondContact O-N 3.03Å; V105-A109 WeakPolarHBondContact O-CB 3.44Å; V105-A109 PolarHBondContact O-N 3.14Å; V105-W155 HydrophobicContact CB-CB 4.25Å; V105-W155 HydrophobicContact CG1-CB 3.69Å; V105-W155 HydrophobicContact CG2-CE3 4.15Å; V105-T156 HydrophobicContact CG1-CG2 3.93Å
106Y98.8Very high98.4Very high70 Ų7056.9 Ų56.928%0.27526%0.264SS..Hα-helixtrans-68-42.1178.3-72.2-62.5000112.5K102 E104 V108 A109 D110 W155 K158 A159K102-Y106 HydrophobicContact CD-CE2 4.22Å; K102-Y106 HydrophobicContact CG-CD2 3.9Å; K102-Y106 HydrophobicContact CG-CE2 3.55Å; K102-Y106 WeakPolarHBondContact O-CD2 3.31Å; K102-Y106 PolarHBondContact O-N 2.86Å; K102-Y106 VanDerWaalsContact O-N 3.13Å; E104-Y106 VanDerWaalsContact C-N 3.33Å; E104-Y106 PolarHBondContact O-N 3.3Å; Y106-V108 PolarHBondContact O-N 2.99Å; Y106-A109 PolarHBondContact O-N 3Å; Y106-D110 PolarHBondContact O-N 2.76Å; Y106-W155 HydrophobicContact CE2-CB 4.41Å; Y106-K158 HydrophobicContact CE1-CB 4.29Å; Y106-K158 WeakPolarHBondContact OH-CB 3.43Å; Y106-A159 HydrophobicContact CD1-CB 4.14Å; Y106-A159 HydrophobicContact CE1-CB 4.16Å
107R98.7Very high98.4Very high132 Ų13255 Ų5550%0.49826%0.256SS..Hα-helixtrans-58.9-47.4177.8-173.9-167.76672.60111.7E103 E104 D110 Q111E103-R107 WeakPolarHBondContact O-CB 3.39Å; E103-R107 PolarHBondContact O-N 3.15Å; E104-R107 PolarHBondContact O-N 2.87Å; R107-D110 PolarHBondContact O-N 2.9Å; R107-Q111 PolarHBondContact O-N 3.48Å
108V98.8Very high98.4Very high1 Ų158.8 Ų58.81%0.00628%0.277CS..Hα-helixtrans-72.2-35.4179.8-175.90000110.7W70 Y95 C97 E104 Y106 D110 Q111 V112W70-V108 HydrophobicContact CD2-CG1 4.26Å; W70-V108 VanDerWaalsContact CE2-CG1 3.48Å; W70-V108 HydrophobicContact CH2-CB 4.05Å; W70-V108 HydrophobicContact CH2-CG1 4.17Å; W70-V108 HydrophobicContact CZ2-CB 3.8Å; W70-V108 HydrophobicContact CZ2-CG1 3.44Å; W70-V108 VanDerWaalsContact CZ2-CG1 3.44Å; Y95-V108 HydrophobicContact CD1-CG1 4.03Å; Y95-V108 HydrophobicContact CG-CG1 3.86Å; C97-V108 HydrophobicContact CB-CB 4.46Å; C97-V108 HydrophobicContact CB-CG1 4.37Å; C97-V108 HydrophobicContact CB-CG2 4.13Å; E104-V108 HydrophobicContact CG-CG2 4.25Å; E104-V108 WeakPolarHBondContact O-CG2 3.48Å; E104-V108 PolarHBondContact O-N 3.12Å; Y106-V108 PolarHBondContact O-N 2.99Å; V108-D110 VanDerWaalsContact C-N 3.34Å; V108-D110 PolarHBondContact O-N 3.28Å; V108-Q111 WeakPolarHBondContact O-CB 3.47Å; V108-Q111 PolarHBondContact O-N 3.31Å; V108-Q111 VanDerWaalsContact O-N 3.16Å; V108-V112 WeakPolarHBondContact O-CG2 3.49Å; V108-V112 PolarHBondContact O-N 2.89Å
109A98.8Very high98.4Very high0 Ų057 Ų570%027%0.267CS..Hα-helixtrans-59.9-43.2173.400000112.4W70 V105 Y106 Q111 V112 K113 A159 F160W70-A109 HydrophobicContact CH2-CB 4.01Å; W70-A109 HydrophobicContact CZ2-CB 4.39Å; V105-A109 WeakPolarHBondContact O-CB 3.44Å; V105-A109 PolarHBondContact O-N 3.14Å; Y106-A109 PolarHBondContact O-N 3Å; A109-Q111 VanDerWaalsContact C-N 3.27Å; A109-Q111 PolarHBondContact O-N 3.4Å; A109-V112 PolarHBondContact O-N 2.85Å; A109-K113 WeakPolarHBondContact O-CG 3.25Å; A109-K113 PolarHBondContact O-N 3.25Å; A109-A159 HydrophobicContact CB-CB 3.71Å; A109-F160 HydrophobicContact CB-CE1 3.9Å; A109-F160 HydrophobicContact CB-CE2 4.12Å; A109-F160 HydrophobicContact CB-CZ 3.48Å; A109-F160 VanDerWaalsContact CB-CZ 3.48Å
110D98.7Very high98.5Very high76 Ų7657 Ų5741%0.40627%0.267SS..Hα-helixtrans-65.9-32.5176.5-73.5-16000112.2Y106 R107 V108 K113 K114Y106-D110 PolarHBondContact O-N 2.76Å; R107-D110 PolarHBondContact O-N 2.9Å; V108-D110 VanDerWaalsContact C-N 3.34Å; V108-D110 PolarHBondContact O-N 3.28Å; D110-K113 IonicContact OD1-NZ 2.88Å; D110-K114 WeakPolarHBondContact O-CD 3.5Å; D110-K114 VanDerWaalsContact O-CG 3.28Å; D110-K114 WeakPolarHBondContact O-CG 3.34Å; D110-K114 PolarHBondContact O-N 2.77Å
111Q98.6Very high98.6Very high61 Ų6156.6 Ų56.629%0.28526%0.264SS..Hα-helixtrans-65.2-47.8172.1-172176.5-2.600111.2Y95 R107 V108 A109 K113 K114 E115Y95-Q111 HydrophobicContact CD1-CG 4.48Å; Y95-Q111 HydrophobicContact CE1-CG 3.84Å; R107-Q111 PolarHBondContact O-N 3.48Å; V108-Q111 WeakPolarHBondContact O-CB 3.47Å; V108-Q111 PolarHBondContact O-N 3.31Å; V108-Q111 VanDerWaalsContact O-N 3.16Å; A109-Q111 VanDerWaalsContact C-N 3.27Å; A109-Q111 PolarHBondContact O-N 3.4Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 2.93Å; Q111-K114 PolarHBondContact O-N 2.89Å; Q111-K114 VanDerWaalsContact O-N 3.15Å; Q111-E115 VanDerWaalsContact CG-CD 3.43Å; Q111-E115 HydrophobicContact CG-CG 4.26Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.29Å; Q111-E115 PolarHBondContact NE2-OE1 3.42Å; Q111-E115 PolarHBondContact NE2-OE2 2.99Å; Q111-E115 WeakPolarHBondContact O-CB 3.37Å; Q111-E115 WeakPolarHBondContact O-CG 3.27Å; Q111-E115 PolarHBondContact O-N 3.46Å
112V98.8Very high98.6Very high0 Ų052 Ų520%024%0.242CC..Hα-helixtrans-57.4-45.5177.1170.60000111.6V68 W70 Y95 V108 A109 K114 E115 V116 G117 V119 F160V68-V112 HydrophobicContact CG1-CG1 4.04Å; V68-V112 HydrophobicContact CG1-CG2 3.65Å; V68-V112 HydrophobicContact CG2-CG1 4.13Å; W70-V112 HydrophobicContact CZ2-CG2 3.98Å; Y95-V112 HydrophobicContact CD2-CG2 3.93Å; Y95-V112 HydrophobicContact CE2-CG2 3.64Å; Y95-V112 HydrophobicContact CG-CG2 4.49Å; V108-V112 WeakPolarHBondContact O-CG2 3.49Å; V108-V112 PolarHBondContact O-N 2.89Å; A109-V112 PolarHBondContact O-N 2.85Å; V112-K114 VanDerWaalsContact C-N 3.27Å; V112-K114 PolarHBondContact O-N 3.17Å; V112-E115 PolarHBondContact O-N 3.27Å; V112-V116 HydrophobicContact CG1-CB 4.36Å; V112-V116 HydrophobicContact CG1-CG2 4.46Å; V112-V116 WeakPolarHBondContact O-CA 3.42Å; V112-V116 WeakPolarHBondContact O-CB 3.4Å; V112-V116 PolarHBondContact O-N 3.42Å; V112-G117 PolarHBondContact O-N 3.49Å; V112-G117 VanDerWaalsContact O-N 3.15Å; V112-V119 HydrophobicContact CG1-CG2 3.91Å; V112-F160 HydrophobicContact CG1-CE1 4.4Å
113K98.4Very high98.6Very high76 Ų7647.8 Ų47.833%0.3322%0.224SC..Hα-helixtrans-59.4-37.9178.5-71.4170-174.8172.10112.6A109 D110 Q111 A159A109-K113 WeakPolarHBondContact O-CG 3.25Å; A109-K113 PolarHBondContact O-N 3.25Å; D110-K113 IonicContact OD1-NZ 2.88Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 2.93Å; K113-A159 WeakPolarHBondContact CE-O 3.43Å; K113-A159 PolarHBondContact NZ-O 2.78Å
114K98.3Very high98.6Very high177 Ų17742.1 Ų42.177%0.7720%0.198SC*.Hα-helixtrans-77.2-41-179.5-70.1170-172.8173.10112.8D110 Q111 V112D110-K114 WeakPolarHBondContact O-CD 3.5Å; D110-K114 VanDerWaalsContact O-CG 3.28Å; D110-K114 WeakPolarHBondContact O-CG 3.34Å; D110-K114 PolarHBondContact O-N 2.77Å; Q111-K114 PolarHBondContact O-N 2.89Å; Q111-K114 VanDerWaalsContact O-N 3.15Å; V112-K114 VanDerWaalsContact C-N 3.27Å; V112-K114 PolarHBondContact O-N 3.17Å
115E98.3Very high98.6Very high105 Ų10540.5 Ų40.549%0.49119%0.191SC..Hα-helixtrans-91.7-30-171-67.5175.8-176.200113.5Y95 Q111 V112Y95-E115 VanDerWaalsContact CE1-OE2 3.29Å; Y95-E115 WeakPolarHBondContact CE1-OE2 3.46Å; Y95-E115 PolarHBondContact OH-OE2 3.05Å; Q111-E115 VanDerWaalsContact CG-CD 3.43Å; Q111-E115 HydrophobicContact CG-CG 4.26Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.29Å; Q111-E115 PolarHBondContact NE2-OE1 3.42Å; Q111-E115 PolarHBondContact NE2-OE2 2.99Å; Q111-E115 WeakPolarHBondContact O-CB 3.37Å; Q111-E115 WeakPolarHBondContact O-CG 3.27Å; Q111-E115 PolarHBondContact O-N 3.46Å; V112-E115 PolarHBondContact O-N 3.27Å
116V98.3Very high98.6Very high15 Ų1541 Ų419%0.09120%0.195CC..THydrogen-bonded Turntrans-117.4-48.2-171.6-167.50000111.5I42 V66 V68 H93 Y95 V112I42-V116 HydrophobicContact CD1-CG1 4.15Å; I42-V116 HydrophobicContact CG1-CG1 4.41Å; I42-V116 HydrophobicContact CG2-CG1 4.07Å; V66-V116 HydrophobicContact CG1-CG1 3.92Å; V68-V116 HydrophobicContact CG2-CB 4.36Å; V68-V116 HydrophobicContact CG2-CG1 3.91Å; V68-V116 HydrophobicContact CG2-CG2 4.21Å; H93-V116 HydrophobicContact CB-CG2 4.15Å; Y95-V116 WeakPolarHBondContact OH-CG2 3.35Å; V112-V116 HydrophobicContact CG1-CB 4.36Å; V112-V116 HydrophobicContact CG1-CG2 4.46Å; V112-V116 WeakPolarHBondContact O-CA 3.42Å; V112-V116 WeakPolarHBondContact O-CB 3.4Å; V112-V116 PolarHBondContact O-N 3.42Å
117G98.2Very high98.4Very high21 Ų2138.6 Ų38.622%0.21619%0.192CC..  trans125.7-162.8-17800000113.1V112 V119V112-G117 PolarHBondContact O-N 3.49Å; V112-G117 VanDerWaalsContact O-N 3.15Å; G117-V119 PolarHBondContact O-N 2.92Å
118D98.4Very high98.2Very high81 Ų8134.8 Ų34.843%0.43318%0.18SC..  trans-76.5121.1-178.3-68.8-32.9000111.6I42 S120 A163I42-D118 WeakPolarHBondContact CD1-O 3.43Å; D118-S120 PolarHBondContact O-N 3.39Å; D118-A163 HydrophobicContact CB-CB 4.16Å
119V98.8Very high97.9Very high5 Ų536 Ų363%0.0319%0.188CC..  trans-65.7125.4176.3175.90000109.7I42 L44 V112 G117 I121 L122 F160 M164I42-V119 HydrophobicContact CG2-CB 4.5Å; I42-V119 HydrophobicContact CG2-CG2 4.1Å; L44-V119 HydrophobicContact CB-CG1 3.68Å; L44-V119 HydrophobicContact CB-CG2 4.06Å; L44-V119 HydrophobicContact CD1-CG2 3.97Å; V112-V119 HydrophobicContact CG1-CG2 3.91Å; G117-V119 PolarHBondContact O-N 2.92Å; V119-I121 WeakPolarHBondContact CG1-O 3.49Å; V119-L122 HydrophobicContact CG1-CB 4.38Å; V119-F160 HydrophobicContact CB-CD1 3.88Å; V119-F160 HydrophobicContact CB-CE1 4.41Å; V119-F160 HydrophobicContact CB-CG 4.3Å; V119-F160 HydrophobicContact CG2-CD1 3.69Å; V119-F160 HydrophobicContact CG2-CE1 3.7Å; V119-F160 HydrophobicContact CG2-CG 4.42Å; V119-F160 HydrophobicContact CG2-CZ 4.46Å; V119-M164 HydrophobicContact CG1-CE 4.18Å; V119-M164 WeakPolarHBondContact O-CE 3.39Å; V119-M164 WeakPolarHBondContact O-CG 3.31Å
120S98.8Very high97.4Very high8 Ų836.4 Ų36.46%0.05619%0.19CC..SBendtrans-95.9-31.5179.563.70000112.8E41 I42 D118 G170 H171E41-S120 WeakPolarHBondContact CB-OG 3.45Å; E41-S120 WeakPolarHBondContact OE2-CB 3.34Å; E41-S120 PolarHBondContact OE2-OG 3.49Å; I42-S120 PolarHBondContact N-OG 3.44Å; I42-S120 PolarHBondContact O-N 3.29Å; I42-S120 PolarHBondContact O-OG 3.46Å; D118-S120 PolarHBondContact O-N 3.39Å; S120-G170 CarbonylContact O-C 3.56Å; S120-G170 WeakPolarHBondContact O-CA 3.26Å; S120-H171 PolarHBondContact O-N 3.42Å
121I98.9Very high96.9Very high4 Ų433.9 Ų33.92%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-129.5116.3176.8-54.1-174.4000107.8V38 I42 V43 L44 F60 V119 I123 H171 V173V38-I121 HydrophobicContact CG1-CD1 3.84Å; I42-I121 PolarHBondContact O-N 3.39Å; V43-I121 CarbonylContact C-O 3.48Å; V43-I121 WeakPolarHBondContact CA-O 3.46Å; V43-I121 HydrophobicContact CB-CB 4.38Å; V43-I121 HydrophobicContact CG1-CB 4.16Å; V43-I121 HydrophobicContact CG1-CG2 4.15Å; V43-I121 HydrophobicContact CG2-CB 4.05Å; V43-I121 HydrophobicContact CG2-CD1 4.12Å; V43-I121 HydrophobicContact CG2-CG1 4.34Å; L44-I121 PolarHBondContact N-O 3.27Å; F60-I121 HydrophobicContact CE1-CD1 4.24Å; V119-I121 WeakPolarHBondContact CG1-O 3.49Å; I121-I123 HydrophobicContact CG2-CD1 4.38Å; I121-I123 HydrophobicContact CG2-CG1 3.97Å; I121-H171 CarbonylContact C-O 3.55Å; I121-H171 WeakPolarHBondContact CA-O 3.13Å; I121-H171 HydrophobicContact CB-CB 4.41Å; I121-H171 HydrophobicContact CG1-CB 4.03Å; I121-H171 HydrophobicContact CG2-CB 4.22Å; I121-V173 HydrophobicContact CG2-CG2 4.2Å
122L98.9Very high96.4Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-104.8114.4176.1171.663.4000109.2L44 V119 Y157 F160 M164 H171 L172 V173L44-L122 HydrophobicContact CB-CD1 4.26Å; L44-L122 HydrophobicContact CD2-CD1 3.61Å; L44-L122 HydrophobicContact CG-CD1 4.39Å; V119-L122 HydrophobicContact CG1-CB 4.38Å; L122-Y157 HydrophobicContact CD2-CD1 3.67Å; L122-Y157 HydrophobicContact CD2-CE1 4.06Å; L122-F160 HydrophobicContact CD1-CD2 4.05Å; L122-F160 HydrophobicContact CD1-CE2 4.41Å; L122-F160 HydrophobicContact CD2-CB 4.41Å; L122-F160 HydrophobicContact CD2-CD2 4.09Å; L122-M164 HydrophobicContact CB-CE 3.96Å; L122-H171 PolarHBondContact N-O 2.86Å; L122-L172 HydrophobicContact CB-CD2 4.25Å; L122-L172 HydrophobicContact CD2-CD2 4.07Å; L122-V173 PolarHBondContact O-N 2.9Å
123I98.9Very high96Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-104.998.1176.2-48.5-173.1000109.4V43 L44 I45 T46 L56 F60 I121 N125 V173 I175 I258V43-I123 HydrophobicContact CG1-CD1 3.89Å; V43-I123 HydrophobicContact CG1-CG1 4.23Å; L44-I123 PolarHBondContact O-N 3.37Å; I45-I123 HydrophobicContact CD1-CD1 4.32Å; I45-I123 HydrophobicContact CG1-CB 4.25Å; I45-I123 HydrophobicContact CG1-CD1 4.08Å; I45-I123 HydrophobicContact CG1-CG1 4.37Å; I45-I123 HydrophobicContact CG2-CB 4.44Å; T46-I123 PolarHBondContact N-O 2.77Å; T46-I123 PolarHBondContact OG1-O 2.94Å; L56-I123 HydrophobicContact CD1-CG2 4.06Å; F60-I123 HydrophobicContact CD2-CD1 4.09Å; F60-I123 HydrophobicContact CE2-CD1 3.4Å; F60-I123 HydrophobicContact CZ-CD1 4.03Å; I121-I123 HydrophobicContact CG2-CD1 4.38Å; I121-I123 HydrophobicContact CG2-CG1 3.97Å; I123-N125 HydrophobicContact CG2-CB 4.12Å; I123-N125 PolarHBondContact O-N 3.32Å; I123-N125 VanDerWaalsContact O-N 3.13Å; I123-V173 HydrophobicContact CB-CB 4.34Å; I123-V173 HydrophobicContact CG1-CB 4.08Å; I123-V173 HydrophobicContact CG1-CG2 4.22Å; I123-V173 HydrophobicContact CG2-CB 4.25Å; I123-V173 HydrophobicContact CG2-CG1 4.1Å; I123-I175 HydrophobicContact CG2-CD1 4.29Å; I123-I175 HydrophobicContact CG2-CG1 4.11Å; I123-I258 HydrophobicContact CD1-CD1 4.16Å
124N98.9Very high95.8Very high0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-78.395.1170.9-80.5-29.4000109.6H153 T156 Y157 V173 I175N124-H153 VanDerWaalsContact CB-CE1 3.48Å; N124-H153 WeakPolarHBondContact CB-CE1 3.22Å; N124-T156 PolarHBondContact ND2-OG1 2.87Å; N124-T156 PolarHBondContact OD1-OG1 3.17Å; N124-Y157 WeakPolarHBondContact ND2-CD1 3.5Å; N124-Y157 WeakPolarHBondContact ND2-CE1 3.44Å; N124-V173 PolarHBondContact N-O 3.14Å; N124-I175 WeakPolarHBondContact O-CB 3.42Å; N124-I175 PolarHBondContact O-N 3.49Å
125N98.6Very high95.7Very high19 Ų1939.6 Ų39.610%0.10222%0.217CC..  trans-117.3-25.6-175.9162.388.6000113.5T46 G47 G53 I123 G127 I175T46-N125 CarbonylContact O-C 3.38Å; T46-N125 VanDerWaalsContact O-CB 3.23Å; T46-N125 WeakPolarHBondContact O-CB 3.35Å; T46-N125 PolarHBondContact O-ND2 2.73Å; T46-N125 PolarHBondContact OG1-N 3.45Å; G47-N125 PolarHBondContact O-ND2 3.15Å; G53-N125 VanDerWaalsContact CA-ND2 3.3Å; G53-N125 WeakPolarHBondContact CA-ND2 3.28Å; I123-N125 HydrophobicContact CG2-CB 4.12Å; I123-N125 PolarHBondContact O-N 3.32Å; I123-N125 VanDerWaalsContact O-N 3.13Å; N125-G127 PolarHBondContact O-N 2.76Å; N125-I175 HydrophobicContact CB-CB 4.34Å; N125-I175 HydrophobicContact CB-CG1 3.75Å
126A97.1Very high95.5Very high10 Ų1040 Ų408%0.08322%0.223CC..  trans-49.5133.4178.700000110.9T46 C99 V148T46-A126 PolarHBondContact O-N 2.68Å; T46-A126 VanDerWaalsContact O-N 3.15Å; T46-A126 WeakPolarHBondContact OG1-CB 3.36Å; T46-A126 PolarHBondContact OG1-N 3.07Å; C99-A126 HydrophobicContact CB-CB 4.34Å; A126-V148 HydrophobicContact CB-CG1 4.36Å
127G95.4Very high95.3Very high20 Ų2039.7 Ų39.721%0.20622%0.221CC..  trans-165.1156.3179.700000113.5N125 N149 M230N125-G127 PolarHBondContact O-N 2.76Å; G127-N149 WeakPolarHBondContact CA-OD1 3.42Å; G127-M230 WeakPolarHBondContact O-CE 3.46Å
128I94.6Very high95.1Very high51 Ų5141.2 Ų41.226%0.26223%0.227SC..  trans-129.4159.1171.662.6166.2000110K144 V148 N149 Y190I128-K144 HydrophobicContact CD1-CB 4.1Å; I128-K144 HydrophobicContact CD1-CD 3.98Å; I128-K144 HydrophobicContact CD1-CG 3.66Å; I128-V148 HydrophobicContact CD1-CG2 4.46Å; I128-V148 HydrophobicContact CG1-CB 4.29Å; I128-V148 HydrophobicContact CG1-CG2 4.49Å; I128-V148 HydrophobicContact CG2-CG1 4.44Å; I128-N149 PolarHBondContact N-OD1 3.14Å; I128-N149 PolarHBondContact O-ND2 2.86Å; I128-N149 PolarHBondContact O-OD1 3.26Å; I128-Y190 VanDerWaalsContact O-CD2 3.24Å; I128-Y190 WeakPolarHBondContact O-CD2 3.1Å; I128-Y190 WeakPolarHBondContact O-CE2 3.36Å
129V92.4Very high95Very high28 Ų2842.4 Ų42.417%0.1723%0.234CC..  trans-133.4138.3173.164.20000108.2L187 Y190 M230 F231 F302V129-L187 HydrophobicContact CG2-CD2 3.39Å; V129-Y190 HydrophobicContact CB-CD2 4.01Å; V129-Y190 HydrophobicContact CB-CE2 4.2Å; V129-Y190 HydrophobicContact CG2-CD2 4.03Å; V129-Y190 HydrophobicContact CG2-CE2 4.47Å; V129-Y190 HydrophobicContact CG2-CG 4.18Å; V129-M230 HydrophobicContact CB-CG 4.38Å; V129-M230 HydrophobicContact CG1-CG 3.6Å; V129-M230 VanDerWaalsContact CG1-O 3.28Å; V129-M230 WeakPolarHBondContact CG1-O 3.36Å; V129-F231 HydrophobicContact CG2-CE1 4.13Å; V129-F302 HydrophobicContact CG1-CE2 4.18Å; V129-F302 HydrophobicContact CG1-CZ 3.9Å
130T88.8Confident94.9Very high8 Ų848.5 Ų48.55%0.04926%0.262CS..  trans-89.5-48.3178.953.30000110.7L141 D189T130-L141 HydrophobicContact CG2-CB 3.87Å; T130-D189 VanDerWaalsContact CG2-OD2 3.24Å; T130-D189 WeakPolarHBondContact CG2-OD2 3.15Å; T130-D189 VanDerWaalsContact OG1-CG 3.32Å; T130-D189 PolarHBondContact OG1-OD1 2.97Å; T130-D189 PolarHBondContact OG1-OD2 3.25Å; T130-D189 VanDerWaalsContact OG1-OD2 3.13Å
131G87.3Confident94.7Very high23 Ų2350.8 Ų50.824%0.23727%0.273CS..  trans70.329.6-179.700000113.6G186G131-G186 CarbonylContact C-O 3.53Å; G131-G186 WeakPolarHBondContact CA-O 3.32Å
132K88.3Confident94.6Very high61 Ų6152 Ų5227%0.26528%0.279SS..  trans-114.6147.9-179.3-58.8-167.7-177.5-157.30111C137 G186 E304K132-C137 HydrophobicContact CB-CB 3.88Å; K132-G186 PolarHBondContact N-O 3.28Å; K132-G186 CarbonylContact O-C 3.45Å; K132-G186 VanDerWaalsContact O-O 3.11Å; K132-E304 IonicContact NZ-OE1 3.89Å; K132-E304 IonicContact NZ-OE2 3.54Å
133N91.4Very high94.5Very high83 Ų8358 Ų5844%0.44431%0.307SS..  trans-61.4148.4169.7-71.7-35.6000110.2L135 D136 C137N133-L135 VanDerWaalsContact C-N 3.31Å; N133-L135 PolarHBondContact O-N 3.39Å; N133-D136 HydrophobicContact CB-CB 4.49Å; N133-D136 CarbonylContact O-C 3.57Å; N133-D136 PolarHBondContact O-N 2.92Å; N133-C137 WeakPolarHBondContact O-CB 3.5Å; N133-C137 PolarHBondContact O-N 2.79Å
134F93.9Very high94.4Very high131 Ų13162.2 Ų62.258%0.57533%0.325SS*.G310 helixtrans-54.3-43.7-171.5177.3-107.2000113.6D136 M142 A188F134-D136 VanDerWaalsContact C-N 3.29Å; F134-D136 PolarHBondContact O-N 3Å; F134-M142 HydrophobicContact CD2-SD 4.19Å; F134-M142 HydrophobicContact CE2-SD 4.06Å; F134-A188 HydrophobicContact CB-CB 4.07Å; F134-A188 HydrophobicContact CD2-CB 4Å; F134-A188 HydrophobicContact CG-CB 4.43Å
135L95.9Very high94.2Very high158 Ų15862.2 Ų62.283%0.82733%0.325SS*.G310 helixtrans-74.6-19.4-179.3-61.1179.9000113.7N133N133-L135 VanDerWaalsContact C-N 3.31Å; N133-L135 PolarHBondContact O-N 3.39Å
136D93.7Very high94.2Very high115 Ų11564.5 Ų64.562%0.61533%0.334SS*.G310 helixtrans-101.9-5.8-176.9-56.4-45.6000112.3N133 F134 P138N133-D136 HydrophobicContact CB-CB 4.49Å; N133-D136 CarbonylContact O-C 3.57Å; N133-D136 PolarHBondContact O-N 2.92Å; F134-D136 VanDerWaalsContact C-N 3.29Å; F134-D136 PolarHBondContact O-N 3Å; D136-P138 WeakPolarHBondContact O-CD 3.5Å
137C93.1Very high94.3Very high7 Ų765.7 Ų65.75%0.04734%0.339CS..SBendtrans-85.6117.8-179.1-165.70000109.4K132 N133 M142K132-C137 HydrophobicContact CB-CB 3.88Å; N133-C137 WeakPolarHBondContact O-CB 3.5Å; N133-C137 PolarHBondContact O-N 2.79Å; C137-M142 HydrophobicContact CB-CG 4.15Å; C137-M142 HydrophobicContact CB-SD 4.31Å; C137-M142 VanDerWaalsContact SG-CG 3.55Å
138P95.7Very high94.4Very high54 Ų5465.3 Ų65.335%0.35133%0.333SS..  trans-58.6141173.7-23.133.2000111.9D136 E140 L141 M142D136-P138 WeakPolarHBondContact O-CD 3.5Å; P138-E140 WeakPolarHBondContact CB-OE2 3.47Å; P138-E140 PolarHBondContact O-N 2.71Å; P138-L141 HydrophobicContact CB-CG 4.46Å; P138-L141 HydrophobicContact CG-CD1 4.33Å; P138-L141 PolarHBondContact O-N 2.76Å; P138-M142 PolarHBondContact O-N 3.23Å
139D96.7Very high94.6Very high106 Ų10662.9 Ų62.957%0.56732%0.32SS*.Hα-helixtrans-54.8-39-177.8-69.2-16.4000111.8L141 M142 E143D139-L141 VanDerWaalsContact C-N 3.27Å; D139-L141 PolarHBondContact O-N 3.08Å; D139-M142 HydrophobicContact CB-CE 4.43Å; D139-M142 WeakPolarHBondContact O-CB 3.31Å; D139-M142 PolarHBondContact O-N 3.39Å; D139-M142 VanDerWaalsContact O-N 3.08Å; D139-M142 WeakPolarHBondContact OD1-CE 3.3Å; D139-E143 WeakPolarHBondContact O-CG 3.13Å; D139-E143 PolarHBondContact O-N 2.84Å
140E96.6Very high94.9Very high133 Ų13363.6 Ų63.662%0.62132%0.321SS*.Hα-helixtrans-64.7-31.7-178.8-54.581.6-177.600112.4P138 K144P138-E140 WeakPolarHBondContact CB-OE2 3.47Å; P138-E140 PolarHBondContact O-N 2.71Å; E140-K144 VanDerWaalsContact O-CB 3.25Å; E140-K144 WeakPolarHBondContact O-CB 3.33Å; E140-K144 PolarHBondContact O-N 3.13Å
141L94.1Very high95.3Very high56 Ų5667 Ų6729%0.29334%0.336SS..Hα-helixtrans-73.4-37.4175-66-171.5000111.1T130 P138 D139 K144 S145T130-L141 HydrophobicContact CG2-CB 3.87Å; P138-L141 HydrophobicContact CB-CG 4.46Å; P138-L141 HydrophobicContact CG-CD1 4.33Å; P138-L141 PolarHBondContact O-N 2.76Å; D139-L141 VanDerWaalsContact C-N 3.27Å; D139-L141 PolarHBondContact O-N 3.08Å; L141-K144 PolarHBondContact O-N 3.35Å; L141-S145 WeakPolarHBondContact O-CB 3.26Å; L141-S145 PolarHBondContact O-N 2.64Å
142M95.6Very high95.9Very high30 Ų3066 Ų6615%0.14833%0.325CS..Hα-helixtrans-65-45.8174.8-61.9-165.8-81.700111.2F134 C137 P138 D139 K144 S145 F146 D189F134-M142 HydrophobicContact CD2-SD 4.19Å; F134-M142 HydrophobicContact CE2-SD 4.06Å; C137-M142 HydrophobicContact CB-CG 4.15Å; C137-M142 HydrophobicContact CB-SD 4.31Å; C137-M142 VanDerWaalsContact SG-CG 3.55Å; P138-M142 PolarHBondContact O-N 3.23Å; D139-M142 HydrophobicContact CB-CE 4.43Å; D139-M142 WeakPolarHBondContact O-CB 3.31Å; D139-M142 PolarHBondContact O-N 3.39Å; D139-M142 VanDerWaalsContact O-N 3.08Å; D139-M142 WeakPolarHBondContact OD1-CE 3.3Å; M142-K144 VanDerWaalsContact C-N 3.34Å; M142-K144 PolarHBondContact O-N 3.06Å; M142-S145 WeakPolarHBondContact O-CB 3.41Å; M142-S145 PolarHBondContact O-N 3.32Å; M142-F146 WeakPolarHBondContact O-CD2 3.4Å; M142-F146 PolarHBondContact O-N 2.89Å; M142-D189 HydrophobicContact CB-CB 3.98Å; M142-D189 HydrophobicContact CG-CB 3.77Å; M142-D189 HydrophobicContact SD-CB 4.36Å
143E96.9Very high96.4Very high124 Ų12463.1 Ų63.158%0.57931%0.313SS*.Hα-helixtrans-58.8-46.8175.3-71.9-175.8171.700111.4D139 S145 F146 D147D139-E143 WeakPolarHBondContact O-CG 3.13Å; D139-E143 PolarHBondContact O-N 2.84Å; E143-S145 VanDerWaalsContact C-N 3.27Å; E143-S145 PolarHBondContact O-N 3.15Å; E143-F146 WeakPolarHBondContact O-CB 3.34Å; E143-F146 PolarHBondContact O-N 2.92Å; E143-D147 PolarHBondContact O-N 3.13Å
144K96.6Very high96.7Very high89 Ų8961.8 Ų61.839%0.38731%0.305SS..Hα-helixtrans-61.7-36177.4-166.9178.1-175.2165.90112.6I128 E140 L141 M142 F146 D147 V148I128-K144 HydrophobicContact CD1-CB 4.1Å; I128-K144 HydrophobicContact CD1-CD 3.98Å; I128-K144 HydrophobicContact CD1-CG 3.66Å; E140-K144 VanDerWaalsContact O-CB 3.25Å; E140-K144 WeakPolarHBondContact O-CB 3.33Å; E140-K144 PolarHBondContact O-N 3.13Å; L141-K144 PolarHBondContact O-N 3.35Å; M142-K144 VanDerWaalsContact C-N 3.34Å; M142-K144 PolarHBondContact O-N 3.06Å; K144-F146 VanDerWaalsContact C-N 3.3Å; K144-F146 PolarHBondContact O-N 2.87Å; K144-D147 PolarHBondContact O-N 3.46Å; K144-V148 HydrophobicContact CG-CG2 4.4Å; K144-V148 WeakPolarHBondContact O-CG2 3.49Å; K144-V148 PolarHBondContact O-N 2.9Å
145S96.3Very high97Very high0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-57.4-46.1173.9-159.20000110.3L141 M142 E143 N149 D189L141-S145 WeakPolarHBondContact O-CB 3.26Å; L141-S145 PolarHBondContact O-N 2.64Å; M142-S145 WeakPolarHBondContact O-CB 3.41Å; M142-S145 PolarHBondContact O-N 3.32Å; E143-S145 VanDerWaalsContact C-N 3.27Å; E143-S145 PolarHBondContact O-N 3.15Å; S145-N149 WeakPolarHBondContact O-CB 3.34Å; S145-N149 VanDerWaalsContact O-CG 3.25Å; S145-N149 PolarHBondContact O-N 3.13Å; S145-N149 PolarHBondContact O-ND2 3.04Å; S145-N149 PolarHBondContact OG-ND2 2.99Å; S145-D189 WeakPolarHBondContact CB-OD2 3.43Å; S145-D189 PolarHBondContact OG-OD2 3.3Å
146F98.1Very high97.1Very high67 Ų6749.5 Ų49.529%0.29424%0.244SC..Hα-helixtrans-67.8-41.2175.1-87.9-97.7000113.4M142 E143 K144 V148 F150 K151 A192M142-F146 WeakPolarHBondContact O-CD2 3.4Å; M142-F146 PolarHBondContact O-N 2.89Å; E143-F146 WeakPolarHBondContact O-CB 3.34Å; E143-F146 PolarHBondContact O-N 2.92Å; K144-F146 VanDerWaalsContact C-N 3.3Å; K144-F146 PolarHBondContact O-N 2.87Å; F146-V148 PolarHBondContact O-N 3.44Å; F146-F150 HydrophobicContact CD1-CD1 4.1Å; F146-F150 WeakPolarHBondContact O-CA 3.33Å; F146-F150 WeakPolarHBondContact O-CB 3.36Å; F146-F150 PolarHBondContact O-N 2.94Å; F146-F150 VanDerWaalsContact O-N 3.08Å; F146-K151 PolarHBondContact O-N 3.29Å; F146-A192 HydrophobicContact CE2-CB 3.97Å; F146-A192 HydrophobicContact CZ-CB 3.62Å
147D98.4Very high97.4Very high35 Ų3544.4 Ų44.419%0.18722%0.216CC..Iπ-helixtrans-60.1-47.7-179.5-69.3-23.9000111.4E143 K144 K151 A152E143-D147 PolarHBondContact O-N 3.13Å; K144-D147 PolarHBondContact O-N 3.46Å; D147-K151 PolarHBondContact O-N 3.39Å; D147-K151 WeakPolarHBondContact OD1-CD 3.29Å; D147-K151 WeakPolarHBondContact OD1-CE 3.47Å; D147-K151 IonicContact OD1-NZ 2.87Å; D147-K151 PolarHBondContact OD1-NZ 2.99Å; D147-A152 PolarHBondContact O-N 3.27Å
148V97.9Very high97.6Very high12 Ų1251.2 Ų51.27%0.07325%0.245CC..Iπ-helixtrans-79.4-51-178.1-177.70000111.9A126 I128 K144 F146 F150 A152A126-V148 HydrophobicContact CB-CG1 4.36Å; I128-V148 HydrophobicContact CD1-CG2 4.46Å; I128-V148 HydrophobicContact CG1-CB 4.29Å; I128-V148 HydrophobicContact CG1-CG2 4.49Å; I128-V148 HydrophobicContact CG2-CG1 4.44Å; K144-V148 HydrophobicContact CG-CG2 4.4Å; K144-V148 WeakPolarHBondContact O-CG2 3.49Å; K144-V148 PolarHBondContact O-N 2.9Å; F146-V148 PolarHBondContact O-N 3.44Å; V148-F150 PolarHBondContact O-N 2.83Å; V148-A152 WeakPolarHBondContact O-CB 3.36Å
149N98.4Very high97.8Very high0 Ų048.9 Ų48.90%023%0.23CC..Iπ-helixtrans-79.7-18.2-169.7-60.3-16.9000113.2G127 I128 S145 H153 S193 A197G127-N149 WeakPolarHBondContact CA-OD1 3.42Å; I128-N149 PolarHBondContact N-OD1 3.14Å; I128-N149 PolarHBondContact O-ND2 2.86Å; I128-N149 PolarHBondContact O-OD1 3.26Å; S145-N149 WeakPolarHBondContact O-CB 3.34Å; S145-N149 VanDerWaalsContact O-CG 3.25Å; S145-N149 PolarHBondContact O-N 3.13Å; S145-N149 PolarHBondContact O-ND2 3.04Å; S145-N149 PolarHBondContact OG-ND2 2.99Å; N149-H153 PolarHBondContact O-NE2 2.96Å; N149-S193 VanDerWaalsContact CB-OG 3.28Å; N149-S193 WeakPolarHBondContact CB-OG 3.46Å; N149-S193 PolarHBondContact ND2-OG 3.43Å; N149-A197 WeakPolarHBondContact O-CB 3.2Å
150F98.6Very high97.9Very high43 Ų4344 Ų4419%0.18920%0.204CC..Iπ-helixtrans-128.8-58-175.8165.5-114.4000113.3F146 V148 A152 H153 L154 A196 L200F146-F150 HydrophobicContact CD1-CD1 4.1Å; F146-F150 WeakPolarHBondContact O-CA 3.33Å; F146-F150 WeakPolarHBondContact O-CB 3.36Å; F146-F150 PolarHBondContact O-N 2.94Å; F146-F150 VanDerWaalsContact O-N 3.08Å; V148-F150 PolarHBondContact O-N 2.83Å; F150-A152 VanDerWaalsContact C-N 3.28Å; F150-A152 PolarHBondContact O-N 3.5Å; F150-H153 WeakPolarHBondContact O-CA 3.48Å; F150-H153 VanDerWaalsContact O-CB 3.29Å; F150-H153 WeakPolarHBondContact O-CB 3.28Å; F150-H153 PolarHBondContact O-N 3.24Å; F150-L154 HydrophobicContact CE1-CD1 3.88Å; F150-L154 HydrophobicContact CE2-CD1 4.34Å; F150-L154 HydrophobicContact CE2-CD2 4.26Å; F150-L154 HydrophobicContact CE2-CG 4.19Å; F150-L154 HydrophobicContact CZ-CD1 3.74Å; F150-L154 HydrophobicContact CZ-CD2 4.19Å; F150-L154 HydrophobicContact CZ-CG 4.08Å; F150-L154 PolarHBondContact O-N 3.15Å; F150-A196 HydrophobicContact CB-CB 4.28Å; F150-A196 HydrophobicContact CD1-CB 4.29Å; F150-A196 HydrophobicContact CD2-CB 3.62Å; F150-A196 HydrophobicContact CE2-CB 3.95Å; F150-A196 HydrophobicContact CG-CB 3.79Å; F150-A196 HydrophobicContact CZ-CB 4.42Å; F150-L200 HydrophobicContact CD2-CD2 4.4Å; F150-L200 HydrophobicContact CE2-CB 4.13Å; F150-L200 HydrophobicContact CE2-CD2 4.05Å
151K98.8Very high98Very high80 Ų8038.7 Ų38.735%0.34818%0.18SC..Iπ-helixtrans-65.4-33.5-173.3-57.5-173.7-167.1155.40112.2F146 D147 H153 L154 W155F146-K151 PolarHBondContact O-N 3.29Å; D147-K151 PolarHBondContact O-N 3.39Å; D147-K151 WeakPolarHBondContact OD1-CD 3.29Å; D147-K151 WeakPolarHBondContact OD1-CE 3.47Å; D147-K151 IonicContact OD1-NZ 2.87Å; D147-K151 PolarHBondContact OD1-NZ 2.99Å; K151-H153 PolarHBondContact O-N 3.41Å; K151-L154 VanDerWaalsContact O-CB 3.29Å; K151-L154 WeakPolarHBondContact O-CB 3.38Å; K151-L154 PolarHBondContact O-N 3.01Å; K151-W155 HydrophobicContact CB-CD2 4.41Å; K151-W155 HydrophobicContact CB-CH2 3.5Å; K151-W155 HydrophobicContact CB-CZ2 3.34Å; K151-W155 HydrophobicContact CB-CZ3 4.09Å; K151-W155 HydrophobicContact CD-CH2 4.22Å; K151-W155 HydrophobicContact CD-CZ2 3.88Å; K151-W155 HydrophobicContact CG-CZ2 4.24Å; K151-W155 PolarHBondContact O-N 2.94Å; K151-W155 VanDerWaalsContact O-N 3.13Å
152A98.8Very high98.2Very high2 Ų239.7 Ų39.72%0.01719%0.19CC..Hα-helixtrans-51.1-39169.100000112.9C99 D147 V148 F150 W155 T156C99-A152 HydrophobicContact CB-CB 3.92Å; C99-A152 VanDerWaalsContact O-CB 3.3Å; C99-A152 WeakPolarHBondContact O-CB 3.36Å; D147-A152 PolarHBondContact O-N 3.27Å; V148-A152 WeakPolarHBondContact O-CB 3.36Å; F150-A152 VanDerWaalsContact C-N 3.28Å; F150-A152 PolarHBondContact O-N 3.5Å; A152-W155 PolarHBondContact O-N 3.45Å; A152-T156 WeakPolarHBondContact O-CB 3.44Å; A152-T156 WeakPolarHBondContact O-CG2 3.48Å; A152-T156 PolarHBondContact O-N 3.09Å; A152-T156 PolarHBondContact O-OG1 3.03Å
153H98.8Very high98.3Very high1 Ų139.3 Ų39.31%0.00519%0.191CC..Hα-helixtrans-68.4-39.3178.6-65.6-145.4000111N124 N149 F150 K151 W155 T156 Y157 L200N124-H153 VanDerWaalsContact CB-CE1 3.48Å; N124-H153 WeakPolarHBondContact CB-CE1 3.22Å; N149-H153 PolarHBondContact O-NE2 2.96Å; F150-H153 WeakPolarHBondContact O-CA 3.48Å; F150-H153 VanDerWaalsContact O-CB 3.29Å; F150-H153 WeakPolarHBondContact O-CB 3.28Å; F150-H153 PolarHBondContact O-N 3.24Å; K151-H153 PolarHBondContact O-N 3.41Å; H153-W155 VanDerWaalsContact C-N 3.33Å; H153-W155 PolarHBondContact O-N 3.28Å; H153-T156 WeakPolarHBondContact CA-OG1 3.47Å; H153-T156 PolarHBondContact O-OG1 2.9Å; H153-Y157 VanDerWaalsContact O-CB 3.22Å; H153-Y157 WeakPolarHBondContact O-CB 3.49Å; H153-Y157 WeakPolarHBondContact O-CD1 3.44Å; H153-Y157 VanDerWaalsContact O-CG 3.24Å; H153-Y157 PolarHBondContact O-N 3.29Å; H153-L200 HydrophobicContact CB-CD2 3.85Å
154L98.6Very high98.4Very high55 Ų5533.4 Ų33.429%0.28816%0.163SC..Hα-helixtrans-57.7-47.5174.8-64.4170.4000111.2F150 K151 K158 L200F150-L154 HydrophobicContact CE1-CD1 3.88Å; F150-L154 HydrophobicContact CE2-CD1 4.34Å; F150-L154 HydrophobicContact CE2-CD2 4.26Å; F150-L154 HydrophobicContact CE2-CG 4.19Å; F150-L154 HydrophobicContact CZ-CD1 3.74Å; F150-L154 HydrophobicContact CZ-CD2 4.19Å; F150-L154 HydrophobicContact CZ-CG 4.08Å; F150-L154 PolarHBondContact O-N 3.15Å; K151-L154 VanDerWaalsContact O-CB 3.29Å; K151-L154 WeakPolarHBondContact O-CB 3.38Å; K151-L154 PolarHBondContact O-N 3.01Å; L154-K158 WeakPolarHBondContact O-CB 3.38Å; L154-K158 WeakPolarHBondContact O-CG 3.14Å; L154-K158 PolarHBondContact O-N 2.84Å; L154-L200 HydrophobicContact CD2-CD1 3.55Å; L154-L200 HydrophobicContact CD2-CD2 3.52Å; L154-L200 HydrophobicContact CD2-CG 4.15Å; L154-L200 HydrophobicContact CG-CD2 3.93Å
155W98.9Very high98.5Very high30 Ų3031.6 Ų31.611%0.11416%0.157CC..Hα-helixtrans-72.9-44.2-173.6-52-34.4000111.8C99 S100 K102 V105 Y106 K151 A152 H153 K158 A159C99-W155 WeakPolarHBondContact O-CZ3 3.37Å; S100-W155 WeakPolarHBondContact O-CH2 2.83Å; S100-W155 WeakPolarHBondContact O-CZ3 3.28Å; K102-W155 HydrophobicContact CB-CD2 3.78Å; K102-W155 HydrophobicContact CB-CE3 4.14Å; K102-W155 HydrophobicContact CB-CG 4.29Å; K102-W155 HydrophobicContact CB-CH2 4.11Å; K102-W155 HydrophobicContact CB-CZ2 3.72Å; K102-W155 HydrophobicContact CB-CZ3 4.3Å; K102-W155 HydrophobicContact CG-CD2 3.96Å; K102-W155 HydrophobicContact CG-CG 3.95Å; K102-W155 HydrophobicContact CG-CZ2 4.36Å; V105-W155 HydrophobicContact CB-CB 4.25Å; V105-W155 HydrophobicContact CG1-CB 3.69Å; V105-W155 HydrophobicContact CG2-CE3 4.15Å; Y106-W155 HydrophobicContact CE2-CB 4.41Å; K151-W155 HydrophobicContact CB-CD2 4.41Å; K151-W155 HydrophobicContact CB-CH2 3.5Å; K151-W155 HydrophobicContact CB-CZ2 3.34Å; K151-W155 HydrophobicContact CB-CZ3 4.09Å; K151-W155 HydrophobicContact CD-CH2 4.22Å; K151-W155 HydrophobicContact CD-CZ2 3.88Å; K151-W155 HydrophobicContact CG-CZ2 4.24Å; K151-W155 PolarHBondContact O-N 2.94Å; K151-W155 VanDerWaalsContact O-N 3.13Å; A152-W155 PolarHBondContact O-N 3.45Å; H153-W155 VanDerWaalsContact C-N 3.33Å; H153-W155 PolarHBondContact O-N 3.28Å; W155-K158 PolarHBondContact O-N 3.31Å; W155-A159 VanDerWaalsContact O-CB 3.31Å; W155-A159 WeakPolarHBondContact O-CB 3.37Å; W155-A159 PolarHBondContact O-N 2.98Å
156T98.9Very high98.6Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-64.9-40.8176.152.50000111.8T46 W70 V105 N124 A152 H153 K158 A159 F160T46-T156 HydrophobicContact CG2-CG2 4.47Å; W70-T156 HydrophobicContact CZ3-CG2 4.27Å; V105-T156 HydrophobicContact CG1-CG2 3.93Å; N124-T156 PolarHBondContact ND2-OG1 2.87Å; N124-T156 PolarHBondContact OD1-OG1 3.17Å; A152-T156 WeakPolarHBondContact O-CB 3.44Å; A152-T156 WeakPolarHBondContact O-CG2 3.48Å; A152-T156 PolarHBondContact O-N 3.09Å; A152-T156 PolarHBondContact O-OG1 3.03Å; H153-T156 WeakPolarHBondContact CA-OG1 3.47Å; H153-T156 PolarHBondContact O-OG1 2.9Å; T156-K158 PolarHBondContact O-N 3.44Å; T156-A159 PolarHBondContact O-N 3.26Å; T156-F160 WeakPolarHBondContact O-CD2 3.49Å; T156-F160 PolarHBondContact O-N 2.88Å
157Y98.8Very high98.6Very high9 Ų936.9 Ų36.94%0.03520%0.2CC..Hα-helixtrans-60.3-48.7173.8-78.816.3000110.7L122 N124 H153 A159 F160 L161 L172 L200 V204L122-Y157 HydrophobicContact CD2-CD1 3.67Å; L122-Y157 HydrophobicContact CD2-CE1 4.06Å; N124-Y157 WeakPolarHBondContact ND2-CD1 3.5Å; N124-Y157 WeakPolarHBondContact ND2-CE1 3.44Å; H153-Y157 VanDerWaalsContact O-CB 3.22Å; H153-Y157 WeakPolarHBondContact O-CB 3.49Å; H153-Y157 WeakPolarHBondContact O-CD1 3.44Å; H153-Y157 VanDerWaalsContact O-CG 3.24Å; H153-Y157 PolarHBondContact O-N 3.29Å; Y157-A159 PolarHBondContact O-N 3.06Å; Y157-F160 PolarHBondContact O-N 2.87Å; Y157-L161 WeakPolarHBondContact O-CB 3.37Å; Y157-L161 PolarHBondContact O-N 3.45Å; Y157-L172 HydrophobicContact CD1-CD2 4.05Å; Y157-L172 HydrophobicContact CD2-CD1 4.18Å; Y157-L172 HydrophobicContact CE1-CB 4.13Å; Y157-L172 HydrophobicContact CE1-CD1 4.31Å; Y157-L172 HydrophobicContact CE1-CD2 3.99Å; Y157-L172 HydrophobicContact CE1-CG 4.38Å; Y157-L172 HydrophobicContact CE2-CD1 3.97Å; Y157-L172 HydrophobicContact CG-CD1 4.45Å; Y157-L200 HydrophobicContact CD2-CG 4.5Å; Y157-L200 HydrophobicContact CE2-CG 4.45Å; Y157-V204 HydrophobicContact CD2-CB 4.43Å; Y157-V204 HydrophobicContact CD2-CG1 4.27Å; Y157-V204 HydrophobicContact CD2-CG2 4.1Å; Y157-V204 HydrophobicContact CE2-CB 4.37Å; Y157-V204 HydrophobicContact CE2-CG1 4.41Å; Y157-V204 HydrophobicContact CE2-CG2 4.39Å
158K98.8Very high98.5Very high150 Ų15038.6 Ų38.665%0.65221%0.21SC*.Hα-helixtrans-60.3-33.3175.7-78.9-168.1172.5-168.50113.3Y106 L154 W155 T156 P162Y106-K158 HydrophobicContact CE1-CB 4.29Å; Y106-K158 WeakPolarHBondContact OH-CB 3.43Å; L154-K158 WeakPolarHBondContact O-CB 3.38Å; L154-K158 WeakPolarHBondContact O-CG 3.14Å; L154-K158 PolarHBondContact O-N 2.84Å; W155-K158 PolarHBondContact O-N 3.31Å; T156-K158 PolarHBondContact O-N 3.44Å; K158-P162 WeakPolarHBondContact O-CD 3.33Å; K158-P162 WeakPolarHBondContact O-CG 3.5Å
159A98.8Very high98.6Very high4 Ų442 Ų423%0.03322%0.224CC..Hα-helixtrans-74.3-39-178.700000113Y106 A109 K113 W155 T156 Y157Y106-A159 HydrophobicContact CD1-CB 4.14Å; Y106-A159 HydrophobicContact CE1-CB 4.16Å; A109-A159 HydrophobicContact CB-CB 3.71Å; K113-A159 WeakPolarHBondContact CE-O 3.43Å; K113-A159 PolarHBondContact NZ-O 2.78Å; W155-A159 VanDerWaalsContact O-CB 3.31Å; W155-A159 WeakPolarHBondContact O-CB 3.37Å; W155-A159 PolarHBondContact O-N 2.98Å; T156-A159 PolarHBondContact O-N 3.26Å; Y157-A159 PolarHBondContact O-N 3.06Å
160F98.9Very high98.6Very high3 Ų342.1 Ų42.11%0.01323%0.226CC..Hα-helixtrans-111.8-29.1-168.6-60.4-66.5000114.9L44 W70 A109 V112 V119 L122 T156 Y157 P162 A163 M164L44-F160 HydrophobicContact CD1-CE1 4.05Å; L44-F160 HydrophobicContact CD1-CE2 3.68Å; L44-F160 HydrophobicContact CD1-CZ 3.4Å; L44-F160 VanDerWaalsContact CD1-CZ 3.4Å; W70-F160 HydrophobicContact CH2-CE2 4.02Å; W70-F160 AromaticContact CH2-CZ 3.88Å; W70-F160 HydrophobicContact CH2-CZ 3.88Å; W70-F160 HydrophobicContact CZ2-CE2 4.36Å; W70-F160 AromaticContact CZ2-CZ 3.85Å; W70-F160 HydrophobicContact CZ2-CZ 3.85Å; A109-F160 HydrophobicContact CB-CE1 3.9Å; A109-F160 HydrophobicContact CB-CE2 4.12Å; A109-F160 HydrophobicContact CB-CZ 3.48Å; A109-F160 VanDerWaalsContact CB-CZ 3.48Å; V112-F160 HydrophobicContact CG1-CE1 4.4Å; V119-F160 HydrophobicContact CB-CD1 3.88Å; V119-F160 HydrophobicContact CB-CE1 4.41Å; V119-F160 HydrophobicContact CB-CG 4.3Å; V119-F160 HydrophobicContact CG2-CD1 3.69Å; V119-F160 HydrophobicContact CG2-CE1 3.7Å; V119-F160 HydrophobicContact CG2-CG 4.42Å; V119-F160 HydrophobicContact CG2-CZ 4.46Å; L122-F160 HydrophobicContact CD1-CD2 4.05Å; L122-F160 HydrophobicContact CD1-CE2 4.41Å; L122-F160 HydrophobicContact CD2-CB 4.41Å; L122-F160 HydrophobicContact CD2-CD2 4.09Å; T156-F160 WeakPolarHBondContact O-CD2 3.49Å; T156-F160 PolarHBondContact O-N 2.88Å; Y157-F160 PolarHBondContact O-N 2.87Å; F160-P162 VanDerWaalsContact C-CD 3.42Å; F160-A163 PolarHBondContact O-N 2.91Å; F160-M164 HydrophobicContact CB-CE 4.41Å; F160-M164 PolarHBondContact O-N 3.37Å
161L98.7Very high98.6Very high23 Ų2340.1 Ų40.112%0.1222%0.217CC..Hα-helixtrans-59.6-36.6-179.8-176.856.9000114.4Y157 A163 M164 I165 L172 V204 I216Y157-L161 WeakPolarHBondContact O-CB 3.37Å; Y157-L161 PolarHBondContact O-N 3.45Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 2.93Å; L161-M164 HydrophobicContact CD1-CB 4.36Å; L161-M164 HydrophobicContact CD1-SD 4.47Å; L161-M164 WeakPolarHBondContact O-CB 3.48Å; L161-M164 PolarHBondContact O-N 3.41Å; L161-I165 HydrophobicContact CD1-CD1 4.06Å; L161-I165 HydrophobicContact CD1-CG1 3.91Å; L161-I165 HydrophobicContact CD2-CD1 4.26Å; L161-I165 HydrophobicContact CG-CD1 3.76Å; L161-I165 HydrophobicContact CG-CG1 4.12Å; L161-I165 WeakPolarHBondContact O-CG1 3.34Å; L161-I165 PolarHBondContact O-N 3.33Å; L161-L172 HydrophobicContact CD1-CD1 4.08Å; L161-L172 HydrophobicContact CD2-CD1 4.35Å; L161-V204 HydrophobicContact CD2-CG1 3.78Å; L161-I216 HydrophobicContact CD1-CG2 4.12Å
162P98.6Very high98.6Very high77 Ų7736.3 Ų36.350%0.520%0.201SC..Hα-helixtrans-57.1-40.5179.9-28.136.4000114.1K158 F160 I165 A166K158-P162 WeakPolarHBondContact O-CD 3.33Å; K158-P162 WeakPolarHBondContact O-CG 3.5Å; F160-P162 VanDerWaalsContact C-CD 3.42Å; P162-I165 PolarHBondContact O-N 3.09Å; P162-A166 WeakPolarHBondContact O-CB 3.46Å; P162-A166 PolarHBondContact O-N 3.02Å
163A98.6Very high98.6Very high21 Ų2136.2 Ų36.217%0.17420%0.2CC..Hα-helixtrans-70.7-39.9177.800000111.6D118 F160 L161 I165 A166 N167D118-A163 HydrophobicContact CB-CB 4.16Å; F160-A163 PolarHBondContact O-N 2.91Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 2.93Å; A163-I165 VanDerWaalsContact C-N 3.32Å; A163-I165 PolarHBondContact O-N 3.46Å; A163-A166 PolarHBondContact O-N 3.21Å; A163-N167 WeakPolarHBondContact O-CB 3.46Å; A163-N167 PolarHBondContact O-N 3.38Å; A163-N167 PolarHBondContact O-ND2 2.98Å
164M98.8Very high98.6Very high1 Ų136.2 Ų36.21%0.00520%0.2CC..Hα-helixtrans-58.5-45.7174.4-62.1176.6178.700111.1V119 L122 F160 L161 N167 D168 H169 L172 I216V119-M164 HydrophobicContact CG1-CE 4.18Å; V119-M164 WeakPolarHBondContact O-CE 3.39Å; V119-M164 WeakPolarHBondContact O-CG 3.31Å; L122-M164 HydrophobicContact CB-CE 3.96Å; F160-M164 HydrophobicContact CB-CE 4.41Å; F160-M164 PolarHBondContact O-N 3.37Å; L161-M164 HydrophobicContact CD1-CB 4.36Å; L161-M164 HydrophobicContact CD1-SD 4.47Å; L161-M164 WeakPolarHBondContact O-CB 3.48Å; L161-M164 PolarHBondContact O-N 3.41Å; M164-N167 CarbonylContact O-C 3.58Å; M164-N167 PolarHBondContact O-N 3.01Å; M164-D168 WeakPolarHBondContact O-CA 3.49Å; M164-D168 PolarHBondContact O-N 3.4Å; M164-H169 WeakPolarHBondContact CA-O 3.44Å; M164-H169 WeakPolarHBondContact CB-O 3.49Å; M164-H169 PolarHBondContact O-N 2.77Å; M164-L172 HydrophobicContact CE-CD2 4.25Å; M164-L172 HydrophobicContact SD-CD2 3.84Å; M164-I216 VanDerWaalsContact C-CD1 3.42Å; M164-I216 HydrophobicContact CB-CD1 3.58Å; M164-I216 WeakPolarHBondContact O-CD1 3.47Å
165I98.5Very high98.6Very high50 Ų5033.9 Ų33.926%0.25619%0.188SC..Hα-helixtrans-62.1-45.8176.7-73.3173.8000111.1L161 P162 A163 N167 D168 I216L161-I165 HydrophobicContact CD1-CD1 4.06Å; L161-I165 HydrophobicContact CD1-CG1 3.91Å; L161-I165 HydrophobicContact CD2-CD1 4.26Å; L161-I165 HydrophobicContact CG-CD1 3.76Å; L161-I165 HydrophobicContact CG-CG1 4.12Å; L161-I165 WeakPolarHBondContact O-CG1 3.34Å; L161-I165 PolarHBondContact O-N 3.33Å; P162-I165 PolarHBondContact O-N 3.09Å; A163-I165 VanDerWaalsContact C-N 3.32Å; A163-I165 PolarHBondContact O-N 3.46Å; I165-N167 PolarHBondContact O-N 3.38Å; I165-D168 PolarHBondContact O-N 2.8Å; I165-D168 VanDerWaalsContact O-N 3.12Å; I165-I216 HydrophobicContact CG1-CD1 4.43Å; I165-I216 HydrophobicContact CG1-CG1 4.41Å
166A98.3Very high98.5Very high83 Ų8332.6 Ų32.669%0.68618%0.183SC*.Hα-helixtrans-59.8-32.7179.100000112.4P162 A163P162-A166 WeakPolarHBondContact O-CB 3.46Å; P162-A166 PolarHBondContact O-N 3.02Å; A163-A166 PolarHBondContact O-N 3.21Å
167N97.7Very high98.3Very high96 Ų9632.9 Ų32.951%0.51319%0.185SC..THydrogen-bonded Turntrans-92.8-4.4179.9-64.4-29.7000113.7A163 M164 I165 H169A163-N167 WeakPolarHBondContact O-CB 3.46Å; A163-N167 PolarHBondContact O-N 3.38Å; A163-N167 PolarHBondContact O-ND2 2.98Å; M164-N167 CarbonylContact O-C 3.58Å; M164-N167 PolarHBondContact O-N 3.01Å; I165-N167 PolarHBondContact O-N 3.38Å; N167-H169 HydrophobicContact CB-CB 4.43Å; N167-H169 PolarHBondContact O-N 3.21Å
168D97.6Very high98Very high71 Ų7132.9 Ų32.938%0.3819%0.186SC..THydrogen-bonded Turntrans40.645.4-165.2-168.231.1000111.8M164 I165 K214 G215M164-D168 WeakPolarHBondContact O-CA 3.49Å; M164-D168 PolarHBondContact O-N 3.4Å; I165-D168 PolarHBondContact O-N 2.8Å; I165-D168 VanDerWaalsContact O-N 3.12Å; D168-K214 PolarHBondContact OD1-N 3.37Å; D168-G215 VanDerWaalsContact O-CA 3.25Å; D168-G215 WeakPolarHBondContact O-CA 3.12Å; D168-G215 PolarHBondContact OD1-N 3.09Å
169H98.6Very high97.8Very high83 Ų8325.8 Ų25.838%0.38416%0.156SC..  trans-152.3114.8-178.7-179.170.6000109.9E41 M164 N167E41-H169 VanDerWaalsContact CD-NE2 3.29Å; E41-H169 IonicContact OE1-CE1 3.94Å; E41-H169 PolarHBondContact OE1-CE1 3.27Å; E41-H169 IonicContact OE1-NE2 3.11Å; E41-H169 PolarHBondContact OE1-NE2 3.47Å; E41-H169 IonicContact OE2-CD2 3.05Å; E41-H169 IonicContact OE2-CE1 3.99Å; E41-H169 IonicContact OE2-NE2 3.91Å; E41-H169 PolarHBondContact OE2-NE2 2.93Å; M164-H169 WeakPolarHBondContact CA-O 3.44Å; M164-H169 WeakPolarHBondContact CB-O 3.49Å; M164-H169 PolarHBondContact O-N 2.77Å; N167-H169 HydrophobicContact CB-CB 4.43Å; N167-H169 PolarHBondContact O-N 3.21Å
170G98.7Very high97.6Very high3 Ų325.7 Ų25.73%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-178.4164.3175.900000114.2S120 G215 K217S120-G170 CarbonylContact O-C 3.56Å; S120-G170 WeakPolarHBondContact O-CA 3.26Å; G170-G215 PolarHBondContact N-O 3.49Å; G170-K217 PolarHBondContact O-N 3.47Å
171H98.9Very high97.3Very high0 Ų026.3 Ų26.30%016%0.158CC..EExtended strand (participates in β ladder)trans-141.9113.1174.8-159.6165.8000111K36 S120 I121 L122 K217 T219 I258K36-H171 PolarHBondContact NZ-ND1 2.84Å; S120-H171 PolarHBondContact O-N 3.42Å; I121-H171 CarbonylContact C-O 3.55Å; I121-H171 WeakPolarHBondContact CA-O 3.13Å; I121-H171 HydrophobicContact CB-CB 4.41Å; I121-H171 HydrophobicContact CG1-CB 4.03Å; I121-H171 HydrophobicContact CG2-CB 4.22Å; L122-H171 PolarHBondContact N-O 2.86Å; H171-K217 WeakPolarHBondContact CA-O 3.41Å; H171-K217 HydrophobicContact CB-CB 4.28Å; H171-K217 VanDerWaalsContact CD2-CB 3.5Å; H171-K217 WeakPolarHBondContact CD2-CB 3.45Å; H171-K217 PolarHBondContact CD2-O 3.44Å; H171-T219 PolarHBondContact CE1-OG1 2.88Å; H171-T219 WeakPolarHBondContact NE2-CB 3.46Å; H171-T219 PolarHBondContact NE2-N 3.15Å; H171-T219 PolarHBondContact NE2-OG1 3.38Å; H171-I258 PolarHBondContact CE1-O 2.91Å
172L98.9Very high97Very high1 Ų127.1 Ų27.11%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-88.5120.2171.4-57.6178.2000109.9L122 Y157 L161 M164 V204 K217 T218 T219L122-L172 HydrophobicContact CB-CD2 4.25Å; L122-L172 HydrophobicContact CD2-CD2 4.07Å; Y157-L172 HydrophobicContact CD1-CD2 4.05Å; Y157-L172 HydrophobicContact CD2-CD1 4.18Å; Y157-L172 HydrophobicContact CE1-CB 4.13Å; Y157-L172 HydrophobicContact CE1-CD1 4.31Å; Y157-L172 HydrophobicContact CE1-CD2 3.99Å; Y157-L172 HydrophobicContact CE1-CG 4.38Å; Y157-L172 HydrophobicContact CE2-CD1 3.97Å; Y157-L172 HydrophobicContact CG-CD1 4.45Å; L161-L172 HydrophobicContact CD1-CD1 4.08Å; L161-L172 HydrophobicContact CD2-CD1 4.35Å; M164-L172 HydrophobicContact CE-CD2 4.25Å; M164-L172 HydrophobicContact SD-CD2 3.84Å; L172-V204 HydrophobicContact CD1-CG1 3.81Å; L172-K217 PolarHBondContact N-O 3.39Å; L172-T218 CarbonylContact O-C 3.6Å; L172-T218 VanDerWaalsContact O-CA 3.22Å; L172-T218 WeakPolarHBondContact O-CA 3.47Å; L172-T219 PolarHBondContact O-N 3.44Å
173V98.9Very high96.7Very high0 Ų026.5 Ų26.50%017%0.172CC..EExtended strand (participates in β ladder)trans-115.1121177.7-1760000109I121 L122 I123 N124 I175 T219 V221 I258I121-V173 HydrophobicContact CG2-CG2 4.2Å; L122-V173 PolarHBondContact O-N 2.9Å; I123-V173 HydrophobicContact CB-CB 4.34Å; I123-V173 HydrophobicContact CG1-CB 4.08Å; I123-V173 HydrophobicContact CG1-CG2 4.22Å; I123-V173 HydrophobicContact CG2-CB 4.25Å; I123-V173 HydrophobicContact CG2-CG1 4.1Å; N124-V173 PolarHBondContact N-O 3.14Å; V173-I175 HydrophobicContact CG1-CD1 3.97Å; V173-T219 CarbonylContact C-O 3.56Å; V173-T219 WeakPolarHBondContact CA-O 3.32Å; V173-V221 HydrophobicContact CG1-CG2 4.27Å; V173-I258 HydrophobicContact CB-CD1 4.47Å; V173-I258 HydrophobicContact CG1-CD1 3.79Å; V173-I258 HydrophobicContact CG1-CG1 3.97Å; V173-I258 HydrophobicContact CG2-CD1 4Å; V173-I258 HydrophobicContact CG2-CG1 3.87Å; V173-I258 HydrophobicContact CG2-CG2 3.99Å
174C98.8Very high96.3Very high0 Ų026.9 Ų26.90%017%0.172CC..EExtended strand (participates in β ladder)trans-108.4110.3178176.20000109.8S176 A201 T219 V221C174-S176 PolarHBondContact O-N 2.7Å; C174-S176 VanDerWaalsContact O-N 3.14Å; C174-A201 HydrophobicContact CB-CB 3.72Å; C174-T219 PolarHBondContact N-O 3.48Å; C174-V221 PolarHBondContact O-N 3.48Å
175I98.6Very high95.9Very high7 Ų730.4 Ų30.44%0.03619%0.191CC..EExtended strand (participates in β ladder)trans-82.590.4169.8-49.6-54.2000108.8L52 I123 N124 N125 V173 K194 V221 I254L52-I175 HydrophobicContact CD2-CG2 3.96Å; I123-I175 HydrophobicContact CG2-CD1 4.29Å; I123-I175 HydrophobicContact CG2-CG1 4.11Å; N124-I175 WeakPolarHBondContact O-CB 3.42Å; N124-I175 PolarHBondContact O-N 3.49Å; N125-I175 HydrophobicContact CB-CB 4.34Å; N125-I175 HydrophobicContact CB-CG1 3.75Å; V173-I175 HydrophobicContact CG1-CD1 3.97Å; I175-K194 PolarHBondContact O-NZ 3.02Å; I175-V221 HydrophobicContact CD1-CB 3.73Å; I175-V221 HydrophobicContact CD1-CG1 3.94Å; I175-V221 HydrophobicContact CD1-CG2 3.83Å; I175-I254 HydrophobicContact CD1-CG2 4.19Å
176S96.8Very high95.5Very high2 Ų228.6 Ų28.61%0.01418%0.184CC..  trans-83.4-134.8171.5-172.50000109.5C174 K194 V221C174-S176 PolarHBondContact O-N 2.7Å; C174-S176 VanDerWaalsContact O-N 3.14Å; S176-K194 PolarHBondContact OG-O 2.94Å; S176-V221 CarbonylContact C-O 3.59Å; S176-V221 WeakPolarHBondContact CA-O 3.36Å; S176-V221 PolarHBondContact N-O 2.92Å
177S94.7Very high95.3Very high7 Ų724.7 Ų24.75%0.04915%0.152CC..  trans-165.2164.5177.8177.60000108.8A179 G180 C222 P223S177-A179 PolarHBondContact O-N 3.38Å; S177-A179 WeakPolarHBondContact OG-CB 3.38Å; S177-A179 PolarHBondContact OG-N 2.97Å; S177-G180 WeakPolarHBondContact O-CA 3.3Å; S177-G180 PolarHBondContact O-N 2.89Å; S177-C222 WeakPolarHBondContact O-CB 3.4Å; S177-P223 PolarHBondContact OG-O 2.86Å
178S92.8Very high95.2Very high8 Ų822.1 Ų22.16%0.05614%0.144CC..G310 helixtrans-53.5-31159.158.10000111.7G180 L181 V182 P223S178-G180 PolarHBondContact O-N 2.93Å; S178-L181 WeakPolarHBondContact O-CB 3.42Å; S178-L181 PolarHBondContact O-N 2.89Å; S178-V182 WeakPolarHBondContact O-CG2 3.33Å; S178-V182 PolarHBondContact O-N 3.28Å; S178-V182 VanDerWaalsContact O-N 3.11Å; S178-P223 PolarHBondContact N-O 3.46Å; S178-P223 PolarHBondContact OG-O 3.19Å
179A93.1Very high95.1Very high2 Ų219 Ų192%0.01713%0.127CC..G310 helixtrans-66.5-11.7172.100000114S177 L181 V182 V184 Y190 C191 F195S177-A179 PolarHBondContact O-N 3.38Å; S177-A179 WeakPolarHBondContact OG-CB 3.38Å; S177-A179 PolarHBondContact OG-N 2.97Å; A179-L181 VanDerWaalsContact C-N 3.31Å; A179-V182 CarbonylContact C-O 3.58Å; A179-V182 WeakPolarHBondContact CA-O 3.49Å; A179-V184 HydrophobicContact CB-CG2 4.34Å; A179-Y190 HydrophobicContact CB-CD1 3.71Å; A179-Y190 HydrophobicContact CB-CE1 3.62Å; A179-C191 VanDerWaalsContact O-CA 3.28Å; A179-C191 WeakPolarHBondContact O-CA 3.37Å; A179-C191 WeakPolarHBondContact O-CB 3.39Å; A179-F195 WeakPolarHBondContact O-CD2 3.44Å; A179-F195 WeakPolarHBondContact O-CE2 3.44Å
180G94.3Very high95Very high1 Ų115.5 Ų15.51%0.0111%0.11CC..G310 helixtrans-86.1-0.8168.500000113.8S177 S178 F195S177-G180 WeakPolarHBondContact O-CA 3.3Å; S177-G180 PolarHBondContact O-N 2.89Å; S178-G180 PolarHBondContact O-N 2.93Å; G180-F195 WeakPolarHBondContact O-CD1 3.18Å; G180-F195 WeakPolarHBondContact O-CE1 3.31Å; G180-F195 WeakPolarHBondContact O-CG 3.33Å
181L93.9Very high94.9Very high17 Ų1715.7 Ų15.79%0.08911%0.111CC..THydrogen-bonded Turntrans-118.7-28.4-179.8-55.6174.6000112.2S178 A179 F195 F198 C222 Y266 M275 K278S178-L181 WeakPolarHBondContact O-CB 3.42Å; S178-L181 PolarHBondContact O-N 2.89Å; A179-L181 VanDerWaalsContact C-N 3.31Å; L181-F195 VanDerWaalsContact O-CZ 3.28Å; L181-F195 WeakPolarHBondContact O-CZ 3.22Å; L181-F198 HydrophobicContact CD2-CD2 3.92Å; L181-F198 HydrophobicContact CD2-CE2 3.57Å; L181-F198 HydrophobicContact CD2-CZ 4.01Å; L181-C222 HydrophobicContact CD1-CB 3.79Å; L181-C222 HydrophobicContact CG-CB 4.3Å; L181-Y266 HydrophobicContact CD1-CD1 4.05Å; L181-Y266 HydrophobicContact CD1-CD2 4.21Å; L181-Y266 HydrophobicContact CD1-CE1 3.93Å; L181-Y266 HydrophobicContact CD1-CE2 4.1Å; L181-Y266 HydrophobicContact CD1-CG 4.19Å; L181-Y266 HydrophobicContact CD2-CE1 4.33Å; L181-M275 HydrophobicContact CB-CG 4.49Å; L181-M275 HydrophobicContact CB-SD 3.62Å; L181-M275 HydrophobicContact CD1-CG 4.1Å; L181-M275 HydrophobicContact CD1-SD 4.27Å; L181-M275 HydrophobicContact CG-SD 4.5Å; L181-K278 PolarHBondContact O-NZ 3.35Å
182V91.9Very high94.9Very high40 Ų4017.7 Ų17.724%0.24213%0.128CC..SBendtrans-139.1151.6178.8-62.70000111.2S178 A179 V184 F195 M275 K278S178-V182 WeakPolarHBondContact O-CG2 3.33Å; S178-V182 PolarHBondContact O-N 3.28Å; S178-V182 VanDerWaalsContact O-N 3.11Å; A179-V182 CarbonylContact C-O 3.58Å; A179-V182 WeakPolarHBondContact CA-O 3.49Å; V182-V184 HydrophobicContact CG2-CG2 4.4Å; V182-F195 VanDerWaalsContact N-CZ 3.32Å; V182-M275 HydrophobicContact CG1-CE 3.36Å; V182-M275 HydrophobicContact CG1-SD 3.92Å; V182-K278 HydrophobicContact CG1-CD 3.84Å
183G92Very high94.9Very high64 Ų6417.6 Ų17.666%0.6613%0.128SC*.  trans-73.4140.3169.700000110.6
184V90.8Very high94.8Very high29 Ų2917.9 Ų17.918%0.17613%0.129CC..  trans-125.1137.6177.8-176.70000108.6A179 V182 L187 C191 M299A179-V184 HydrophobicContact CB-CG2 4.34Å; V182-V184 HydrophobicContact CG2-CG2 4.4Å; V184-L187 HydrophobicContact CB-CB 4.23Å; V184-L187 HydrophobicContact CB-CD1 4.1Å; V184-L187 HydrophobicContact CG1-CD1 3.94Å; V184-L187 PolarHBondContact O-N 3.32Å; V184-C191 PolarHBondContact N-SG 3.06Å; V184-M299 HydrophobicContact CG1-CG 4.24Å
185N90.3Very high94.8Very high75 Ų7521.9 Ų21.940%0.40115%0.146SC..THydrogen-bonded Turntrans-59.1141.7177.3-172.823.6000111L187 F296N185-L187 PolarHBondContact O-N 3.25Å; N185-F296 WeakPolarHBondContact CB-O 3.45Å; N185-F296 PolarHBondContact ND2-O 3.28Å; N185-F296 VanDerWaalsContact ND2-O 3.09Å
186G90.4Very high94.8Very high11 Ų1123 Ų2311%0.11316%0.156CC..THydrogen-bonded Turntrans68.99.4-177.200000115.8G131 K132G131-G186 CarbonylContact C-O 3.53Å; G131-G186 WeakPolarHBondContact CA-O 3.32Å; K132-G186 PolarHBondContact N-O 3.28Å; K132-G186 CarbonylContact O-C 3.45Å; K132-G186 VanDerWaalsContact O-O 3.11Å
187L93.9Very high94.9Very high1 Ų122.9 Ų22.91%0.00516%0.156CC..  trans-134.131.3-175.1-70-177.3000113.2V129 V184 N185 D189 Y190 C191 M299V129-L187 HydrophobicContact CG2-CD2 3.39Å; V184-L187 HydrophobicContact CB-CB 4.23Å; V184-L187 HydrophobicContact CB-CD1 4.1Å; V184-L187 HydrophobicContact CG1-CD1 3.94Å; V184-L187 PolarHBondContact O-N 3.32Å; N185-L187 PolarHBondContact O-N 3.25Å; L187-D189 PolarHBondContact O-N 2.84Å; L187-Y190 HydrophobicContact CD1-CD1 4.27Å; L187-Y190 HydrophobicContact CD2-CD1 4.49Å; L187-Y190 HydrophobicContact CD2-CG 4.41Å; L187-Y190 PolarHBondContact O-N 3.31Å; L187-C191 VanDerWaalsContact O-CB 3.3Å; L187-C191 WeakPolarHBondContact O-CB 3.35Å; L187-C191 PolarHBondContact O-N 2.99Å; L187-C191 PolarHBondContact O-SG 3.17Å; L187-M299 HydrophobicContact CD1-CE 4.1Å; L187-M299 HydrophobicContact CD1-CG 4.04Å; L187-M299 HydrophobicContact CD1-SD 3.8Å; L187-M299 HydrophobicContact CD2-CE 3.76Å; L187-M299 HydrophobicContact CG-CE 3.99Å; L187-M299 HydrophobicContact CG-CG 4.14Å; L187-M299 HydrophobicContact CG-SD 4.24Å
188A95.9Very high95.1Very high42 Ų4223.8 Ų23.835%0.34716%0.159SC..Hα-helixtrans-56.4-50.8-173.400000113.5F134 A192F134-A188 HydrophobicContact CB-CB 4.07Å; F134-A188 HydrophobicContact CD2-CB 4Å; F134-A188 HydrophobicContact CG-CB 4.43Å; A188-A192 WeakPolarHBondContact O-CB 3.03Å; A188-A192 PolarHBondContact O-N 3.5Å
189D95.4Very high95.4Very high7 Ų725.1 Ų25.14%0.03717%0.174CC..Hα-helixtrans-66.4-42.6178.166.3-67.2000111.8T130 M142 S145 L187 A192 S193T130-D189 VanDerWaalsContact CG2-OD2 3.24Å; T130-D189 WeakPolarHBondContact CG2-OD2 3.15Å; T130-D189 VanDerWaalsContact OG1-CG 3.32Å; T130-D189 PolarHBondContact OG1-OD1 2.97Å; T130-D189 PolarHBondContact OG1-OD2 3.25Å; T130-D189 VanDerWaalsContact OG1-OD2 3.13Å; M142-D189 HydrophobicContact CB-CB 3.98Å; M142-D189 HydrophobicContact CG-CB 3.77Å; M142-D189 HydrophobicContact SD-CB 4.36Å; S145-D189 WeakPolarHBondContact CB-OD2 3.43Å; S145-D189 PolarHBondContact OG-OD2 3.3Å; L187-D189 PolarHBondContact O-N 2.84Å; D189-A192 PolarHBondContact O-N 2.98Å; D189-S193 WeakPolarHBondContact O-CB 3.23Å; D189-S193 PolarHBondContact O-N 2.74Å; D189-S193 PolarHBondContact O-OG 3.27Å
190Y96.3Very high95.7Very high8 Ų826.5 Ų26.53%0.03118%0.181CC..Hα-helixtrans-61.6-49.2178-179.5-98.1000111I128 V129 A179 L187 A192 S193 K194 F231I128-Y190 VanDerWaalsContact O-CD2 3.24Å; I128-Y190 WeakPolarHBondContact O-CD2 3.1Å; I128-Y190 WeakPolarHBondContact O-CE2 3.36Å; V129-Y190 HydrophobicContact CB-CD2 4.01Å; V129-Y190 HydrophobicContact CB-CE2 4.2Å; V129-Y190 HydrophobicContact CG2-CD2 4.03Å; V129-Y190 HydrophobicContact CG2-CE2 4.47Å; V129-Y190 HydrophobicContact CG2-CG 4.18Å; A179-Y190 HydrophobicContact CB-CD1 3.71Å; A179-Y190 HydrophobicContact CB-CE1 3.62Å; L187-Y190 HydrophobicContact CD1-CD1 4.27Å; L187-Y190 HydrophobicContact CD2-CD1 4.49Å; L187-Y190 HydrophobicContact CD2-CG 4.41Å; L187-Y190 PolarHBondContact O-N 3.31Å; Y190-A192 PolarHBondContact O-N 2.8Å; Y190-S193 PolarHBondContact O-N 3.15Å; Y190-S193 PolarHBondContact O-OG 2.8Å; Y190-K194 HydrophobicContact CD1-CG 4.18Å; Y190-K194 HydrophobicContact CD2-CG 4.44Å; Y190-K194 HydrophobicContact CE1-CG 3.79Å; Y190-K194 HydrophobicContact CE2-CD 4.46Å; Y190-K194 HydrophobicContact CE2-CG 4.09Å; Y190-K194 HydrophobicContact CG-CG 4.49Å; Y190-K194 WeakPolarHBondContact O-CG 3.32Å; Y190-K194 PolarHBondContact O-N 3.49Å; Y190-K194 WeakPolarHBondContact OH-CE 3.48Å; Y190-F231 HydrophobicContact CE1-CZ 4.14Å; Y190-F231 AromaticContact CZ-CZ 3.88Å
191C97.4Very high95.9Very high7 Ų726.5 Ų26.55%0.04718%0.18CC..Hα-helixtrans-55.8-55175.4-66.80000109.4A179 V184 L187 S193 K194 F195A179-C191 VanDerWaalsContact O-CA 3.28Å; A179-C191 WeakPolarHBondContact O-CA 3.37Å; A179-C191 WeakPolarHBondContact O-CB 3.39Å; V184-C191 PolarHBondContact N-SG 3.06Å; L187-C191 VanDerWaalsContact O-CB 3.3Å; L187-C191 WeakPolarHBondContact O-CB 3.35Å; L187-C191 PolarHBondContact O-N 2.99Å; L187-C191 PolarHBondContact O-SG 3.17Å; C191-S193 VanDerWaalsContact C-N 3.27Å; C191-S193 PolarHBondContact O-N 3.13Å; C191-K194 PolarHBondContact O-N 3.48Å; C191-F195 HydrophobicContact CB-CD2 4.4Å; C191-F195 HydrophobicContact CB-CE2 4.49Å; C191-F195 VanDerWaalsContact O-CD2 3.27Å; C191-F195 WeakPolarHBondContact O-CD2 3.1Å; C191-F195 PolarHBondContact O-N 2.98Å
192A98Very high96.1Very high42 Ų4229 Ų2935%0.34719%0.192SC..Hα-helixtrans-54.2-44.1-178.800000112.2F146 A188 D189 Y190 F195 A196F146-A192 HydrophobicContact CE2-CB 3.97Å; F146-A192 HydrophobicContact CZ-CB 3.62Å; A188-A192 WeakPolarHBondContact O-CB 3.03Å; A188-A192 PolarHBondContact O-N 3.5Å; D189-A192 PolarHBondContact O-N 2.98Å; Y190-A192 PolarHBondContact O-N 2.8Å; A192-F195 PolarHBondContact O-N 2.96Å; A192-A196 WeakPolarHBondContact O-CB 3.41Å; A192-A196 PolarHBondContact O-N 3.5Å
193S98.3Very high96.4Very high0 Ų030.1 Ų30.10%020%0.201CC..Hα-helixtrans-64.7-39176.678.10000113.3N149 D189 Y190 C191 A196 A197N149-S193 VanDerWaalsContact CB-OG 3.28Å; N149-S193 WeakPolarHBondContact CB-OG 3.46Å; N149-S193 PolarHBondContact ND2-OG 3.43Å; D189-S193 WeakPolarHBondContact O-CB 3.23Å; D189-S193 PolarHBondContact O-N 2.74Å; D189-S193 PolarHBondContact O-OG 3.27Å; Y190-S193 PolarHBondContact O-N 3.15Å; Y190-S193 PolarHBondContact O-OG 2.8Å; C191-S193 VanDerWaalsContact C-N 3.27Å; C191-S193 PolarHBondContact O-N 3.13Å; S193-A196 PolarHBondContact O-N 3.3Å; S193-A197 PolarHBondContact O-N 3.16Å
194K98.1Very high96.7Very high5 Ų527.8 Ų27.82%0.02217%0.174CC..Hα-helixtrans-75.3-32.7179.3-68.3-58.9-172.2-179.80113I175 S176 Y190 C191 F198I175-K194 PolarHBondContact O-NZ 3.02Å; S176-K194 PolarHBondContact OG-O 2.94Å; Y190-K194 HydrophobicContact CD1-CG 4.18Å; Y190-K194 HydrophobicContact CD2-CG 4.44Å; Y190-K194 HydrophobicContact CE1-CG 3.79Å; Y190-K194 HydrophobicContact CE2-CD 4.46Å; Y190-K194 HydrophobicContact CE2-CG 4.09Å; Y190-K194 HydrophobicContact CG-CG 4.49Å; Y190-K194 WeakPolarHBondContact O-CG 3.32Å; Y190-K194 PolarHBondContact O-N 3.49Å; Y190-K194 WeakPolarHBondContact OH-CE 3.48Å; C191-K194 PolarHBondContact O-N 3.48Å; K194-F198 VanDerWaalsContact O-CB 3.32Å; K194-F198 WeakPolarHBondContact O-CB 3.44Å; K194-F198 PolarHBondContact O-N 3.44Å
195F98.6Very high97.1Very high85 Ų8529.4 Ų29.437%0.37318%0.179SC..Hα-helixtrans-63.6-43.9167.4-88.7-91.8000110.8A179 G180 L181 V182 C191 A192 F198 G199A179-F195 WeakPolarHBondContact O-CD2 3.44Å; A179-F195 WeakPolarHBondContact O-CE2 3.44Å; G180-F195 WeakPolarHBondContact O-CD1 3.18Å; G180-F195 WeakPolarHBondContact O-CE1 3.31Å; G180-F195 WeakPolarHBondContact O-CG 3.33Å; L181-F195 VanDerWaalsContact O-CZ 3.28Å; L181-F195 WeakPolarHBondContact O-CZ 3.22Å; V182-F195 VanDerWaalsContact N-CZ 3.32Å; C191-F195 HydrophobicContact CB-CD2 4.4Å; C191-F195 HydrophobicContact CB-CE2 4.49Å; C191-F195 VanDerWaalsContact O-CD2 3.27Å; C191-F195 WeakPolarHBondContact O-CD2 3.1Å; C191-F195 PolarHBondContact O-N 2.98Å; A192-F195 PolarHBondContact O-N 2.96Å; F195-F198 PolarHBondContact O-N 2.88Å; F195-G199 PolarHBondContact O-N 3.32Å
196A98.6Very high97.5Very high30 Ų3029.5 Ų29.525%0.24818%0.182CC..Hα-helixtrans-63-44177.300000112.1F150 A192 S193 G199 L200F150-A196 HydrophobicContact CB-CB 4.28Å; F150-A196 HydrophobicContact CD1-CB 4.29Å; F150-A196 HydrophobicContact CD2-CB 3.62Å; F150-A196 HydrophobicContact CE2-CB 3.95Å; F150-A196 HydrophobicContact CG-CB 3.79Å; F150-A196 HydrophobicContact CZ-CB 4.42Å; A192-A196 WeakPolarHBondContact O-CB 3.41Å; A192-A196 PolarHBondContact O-N 3.5Å; S193-A196 PolarHBondContact O-N 3.3Å; A196-G199 PolarHBondContact O-N 3.19Å; A196-L200 WeakPolarHBondContact O-CB 3.35Å; A196-L200 PolarHBondContact O-N 3.49Å
197A98.7Very high97.8Very high0 Ų033.8 Ų33.80%020%0.199CC..Hα-helixtrans-62.8-41.817500000112.6N149 S193 A201N149-A197 WeakPolarHBondContact O-CB 3.2Å; S193-A197 PolarHBondContact O-N 3.16Å; A197-A201 PolarHBondContact O-N 2.96Å
198F98.6Very high98Very high25 Ų2533.9 Ų33.911%0.1120%0.2CC..Hα-helixtrans-59.7-53.5174.9-177.2-77.3000111L181 K194 F195 L200 A201 E202 I220 Y264 Y266L181-F198 HydrophobicContact CD2-CD2 3.92Å; L181-F198 HydrophobicContact CD2-CE2 3.57Å; L181-F198 HydrophobicContact CD2-CZ 4.01Å; K194-F198 VanDerWaalsContact O-CB 3.32Å; K194-F198 WeakPolarHBondContact O-CB 3.44Å; K194-F198 PolarHBondContact O-N 3.44Å; F195-F198 PolarHBondContact O-N 2.88Å; F198-L200 VanDerWaalsContact C-N 3.31Å; F198-L200 PolarHBondContact O-N 3.45Å; F198-A201 PolarHBondContact O-N 3.37Å; F198-E202 WeakPolarHBondContact CE1-OE2 3.28Å; F198-E202 PolarHBondContact O-N 3.34Å; F198-I220 HydrophobicContact CD2-CG2 3.45Å; F198-I220 VanDerWaalsContact CD2-CG2 3.45Å; F198-I220 HydrophobicContact CE2-CB 4.49Å; F198-I220 HydrophobicContact CE2-CG2 3.7Å; F198-I220 HydrophobicContact CG-CG2 4.28Å; F198-Y264 HydrophobicContact CE1-CE1 4.46Å; F198-Y264 HydrophobicContact CE2-CD1 4.21Å; F198-Y264 HydrophobicContact CE2-CE1 4.27Å; F198-Y264 AromaticContact CZ-CD1 4Å; F198-Y264 HydrophobicContact CZ-CD1 4Å; F198-Y264 AromaticContact CZ-CE1 3.67Å; F198-Y264 HydrophobicContact CZ-CE1 3.67Å; F198-Y266 HydrophobicContact CE2-CE1 4.32Å
199G98.6Very high98Very high36 Ų3638.9 Ų38.937%0.37121%0.214SC..Hα-helixtrans-61.8-38.1-178.900000112.8F195 A196 S203F195-G199 PolarHBondContact O-N 3.32Å; A196-G199 PolarHBondContact O-N 3.19Å; G199-S203 WeakPolarHBondContact O-CB 3.29Å; G199-S203 PolarHBondContact O-N 2.87Å
200L98.8Very high98.1Very high32 Ų3244 Ų4417%0.16825%0.245CC..Hα-helixtrans-60.3-50.7173.4173.964.9000111.7F150 H153 L154 Y157 A196 F198 E202 S203 V204F150-L200 HydrophobicContact CD2-CD2 4.4Å; F150-L200 HydrophobicContact CE2-CB 4.13Å; F150-L200 HydrophobicContact CE2-CD2 4.05Å; H153-L200 HydrophobicContact CB-CD2 3.85Å; L154-L200 HydrophobicContact CD2-CD1 3.55Å; L154-L200 HydrophobicContact CD2-CD2 3.52Å; L154-L200 HydrophobicContact CD2-CG 4.15Å; L154-L200 HydrophobicContact CG-CD2 3.93Å; Y157-L200 HydrophobicContact CD2-CG 4.5Å; Y157-L200 HydrophobicContact CE2-CG 4.45Å; A196-L200 WeakPolarHBondContact O-CB 3.35Å; A196-L200 PolarHBondContact O-N 3.49Å; F198-L200 VanDerWaalsContact C-N 3.31Å; F198-L200 PolarHBondContact O-N 3.45Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 3.05Å; L200-S203 PolarHBondContact O-N 3.37Å; L200-V204 HydrophobicContact CD1-CG2 4.08Å; L200-V204 WeakPolarHBondContact O-CG2 3.39Å; L200-V204 PolarHBondContact O-N 3.43Å
201A98.7Very high98.1Very high0 Ų048.8 Ų48.80%027%0.268CS..Hα-helixtrans-63.2-40.2-178.800000111.9C174 A197 F198 F205 T218 I220C174-A201 HydrophobicContact CB-CB 3.72Å; A197-A201 PolarHBondContact O-N 2.96Å; F198-A201 PolarHBondContact O-N 3.37Å; A201-F205 WeakPolarHBondContact O-CB 3.47Å; A201-F205 PolarHBondContact O-N 3.41Å; A201-F205 VanDerWaalsContact O-N 3.09Å; A201-T218 HydrophobicContact CB-CG2 4.49Å; A201-I220 HydrophobicContact CB-CD1 3.69Å; A201-I220 HydrophobicContact CB-CG1 3.85Å
202E98.4Very high98Very high71 Ų7153.6 Ų53.633%0.33229%0.293SS..Hα-helixtrans-65.5-44.1176.2-168.5174.5105.900111.8F198 L200 F205 V206 I220 Y264F198-E202 WeakPolarHBondContact CE1-OE2 3.28Å; F198-E202 PolarHBondContact O-N 3.34Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 3.05Å; E202-F205 WeakPolarHBondContact O-CB 3.43Å; E202-F205 PolarHBondContact O-N 3.22Å; E202-V206 WeakPolarHBondContact O-CG2 3.38Å; E202-V206 PolarHBondContact O-N 3.23Å; E202-V206 VanDerWaalsContact O-N 3.07Å; E202-I220 HydrophobicContact CB-CD1 4.12Å; E202-Y264 VanDerWaalsContact CD-OH 3.32Å; E202-Y264 WeakPolarHBondContact CG-OH 3.28Å; E202-Y264 WeakPolarHBondContact OE2-CE1 3.11Å; E202-Y264 PolarHBondContact OE2-OH 2.95Å
203S98.7Very high98Very high62 Ų6253.7 Ų53.743%0.43429%0.286SS..Hα-helixtrans-62.2-45.9177.9-169.60000112.1G199 L200 F205 V206 E207G199-S203 WeakPolarHBondContact O-CB 3.29Å; G199-S203 PolarHBondContact O-N 2.87Å; L200-S203 PolarHBondContact O-N 3.37Å; S203-F205 VanDerWaalsContact C-N 3.31Å; S203-F205 PolarHBondContact O-N 3.32Å; S203-V206 PolarHBondContact O-N 2.96Å; S203-V206 VanDerWaalsContact O-N 3.12Å; S203-E207 WeakPolarHBondContact O-CG 3.21Å; S203-E207 PolarHBondContact O-N 3.19Å
204V98.6Very high97.8Very high15 Ų1560.4 Ų60.49%0.09132%0.316CS..Hα-helixtrans-65.2-35.6179.2170.80000111.6Y157 L161 L172 L200 E207 T208Y157-V204 HydrophobicContact CD2-CB 4.43Å; Y157-V204 HydrophobicContact CD2-CG1 4.27Å; Y157-V204 HydrophobicContact CD2-CG2 4.1Å; Y157-V204 HydrophobicContact CE2-CB 4.37Å; Y157-V204 HydrophobicContact CE2-CG1 4.41Å; Y157-V204 HydrophobicContact CE2-CG2 4.39Å; L161-V204 HydrophobicContact CD2-CG1 3.78Å; L172-V204 HydrophobicContact CD1-CG1 3.81Å; L200-V204 HydrophobicContact CD1-CG2 4.08Å; L200-V204 WeakPolarHBondContact O-CG2 3.39Å; L200-V204 PolarHBondContact O-N 3.43Å; V204-E207 PolarHBondContact O-N 3.26Å; V204-T208 WeakPolarHBondContact O-CG2 3.06Å; V204-T208 PolarHBondContact O-N 3.12Å; V204-T208 PolarHBondContact O-OG1 3.35Å
205F98.4Very high97.8Very high63 Ų6361 Ų6128%0.27632%0.323SS..Hα-helixtrans-59.9-46.5170.8168-100.1000111.7A201 E202 S203 E207 T208 F209 T218 M263A201-F205 WeakPolarHBondContact O-CB 3.47Å; A201-F205 PolarHBondContact O-N 3.41Å; A201-F205 VanDerWaalsContact O-N 3.09Å; E202-F205 WeakPolarHBondContact O-CB 3.43Å; E202-F205 PolarHBondContact O-N 3.22Å; S203-F205 VanDerWaalsContact C-N 3.31Å; S203-F205 PolarHBondContact O-N 3.32Å; F205-E207 VanDerWaalsContact C-N 3.34Å; F205-E207 PolarHBondContact O-N 3.39Å; F205-T208 PolarHBondContact O-N 3.22Å; F205-T208 PolarHBondContact O-OG1 3.11Å; F205-F209 WeakPolarHBondContact O-CB 3.37Å; F205-F209 PolarHBondContact O-N 2.95Å; F205-T218 HydrophobicContact CB-CG2 4.27Å; F205-M263 HydrophobicContact CB-CE 3.54Å; F205-M263 HydrophobicContact CB-SD 4.18Å; F205-M263 HydrophobicContact CD1-CE 3.74Å; F205-M263 HydrophobicContact CD1-SD 4.16Å; F205-M263 HydrophobicContact CD2-CE 4.29Å; F205-M263 HydrophobicContact CD2-SD 3.89Å; F205-M263 HydrophobicContact CE2-SD 4.34Å; F205-M263 HydrophobicContact CG-CE 3.57Å; F205-M263 HydrophobicContact CG-SD 3.79Å
206V98.3Very high97.8Very high77 Ų7757.3 Ų57.347%0.46731%0.307SS..Hα-helixtrans-63.2-41.1178.3175.50000111.3E202 S203 F209 V210E202-V206 WeakPolarHBondContact O-CG2 3.38Å; E202-V206 PolarHBondContact O-N 3.23Å; E202-V206 VanDerWaalsContact O-N 3.07Å; S203-V206 PolarHBondContact O-N 2.96Å; S203-V206 VanDerWaalsContact O-N 3.12Å; V206-F209 PolarHBondContact O-N 2.92Å; V206-V210 HydrophobicContact CG1-CG2 4.38Å; V206-V210 WeakPolarHBondContact O-CG2 3.45Å; V206-V210 PolarHBondContact O-N 2.95Å
207E98.4Very high97.8Very high101 Ų10158.7 Ų58.747%0.47231%0.307SS..Hα-helixtrans-58.9-50.1175.9-72.8176.2-145.900111.8S203 V204 F205 F209 V210 Q211S203-E207 WeakPolarHBondContact O-CG 3.21Å; S203-E207 PolarHBondContact O-N 3.19Å; V204-E207 PolarHBondContact O-N 3.26Å; F205-E207 VanDerWaalsContact C-N 3.34Å; F205-E207 PolarHBondContact O-N 3.39Å; E207-F209 VanDerWaalsContact C-N 3.34Å; E207-F209 PolarHBondContact O-N 3.06Å; E207-V210 PolarHBondContact O-N 3.33Å; E207-Q211 WeakPolarHBondContact O-CB 3.28Å; E207-Q211 VanDerWaalsContact O-CG 3.26Å; E207-Q211 WeakPolarHBondContact O-CG 3.38Å; E207-Q211 PolarHBondContact O-N 3.46Å
208T97.6Very high97.8Very high4 Ų458.9 Ų58.93%0.02531%0.309CS..Hα-helixtrans-65.8-36.1179.353.10000112.3V204 F205 Q211 N212 Q213 I216V204-T208 WeakPolarHBondContact O-CG2 3.06Å; V204-T208 PolarHBondContact O-N 3.12Å; V204-T208 PolarHBondContact O-OG1 3.35Å; F205-T208 PolarHBondContact O-N 3.22Å; F205-T208 PolarHBondContact O-OG1 3.11Å; T208-Q211 CarbonylContact O-C 3.56Å; T208-Q211 PolarHBondContact O-N 3.07Å; T208-N212 PolarHBondContact O-N 2.95Å; T208-Q213 WeakPolarHBondContact O-CB 3.47Å; T208-Q213 PolarHBondContact O-N 3.2Å; T208-I216 HydrophobicContact CG2-CG2 4.15Å
209F96.3Very high97.8Very high147 Ų14757.7 Ų57.765%0.64530%0.303SS*.Hα-helixtrans-61.9-47.5172.9176.7-96000112.3F205 V206 E207 Q211 N212F205-F209 WeakPolarHBondContact O-CB 3.37Å; F205-F209 PolarHBondContact O-N 2.95Å; V206-F209 PolarHBondContact O-N 2.92Å; E207-F209 VanDerWaalsContact C-N 3.34Å; E207-F209 PolarHBondContact O-N 3.06Å; F209-Q211 VanDerWaalsContact C-N 3.29Å; F209-Q211 PolarHBondContact O-N 3.26Å; F209-N212 WeakPolarHBondContact O-CA 3.35Å; F209-N212 PolarHBondContact O-N 2.88Å
210V97.3Very high97.8Very high113 Ų11356 Ų5669%0.68529%0.286SS*.Hα-helixtrans-65.4-34.4178.2170.40000111.5V206 E207 N212V206-V210 HydrophobicContact CG1-CG2 4.38Å; V206-V210 WeakPolarHBondContact O-CG2 3.45Å; V206-V210 PolarHBondContact O-N 2.95Å; E207-V210 PolarHBondContact O-N 3.33Å; V210-N212 PolarHBondContact O-N 2.98Å
211Q96.4Very high97.8Very high109 Ų10954.5 Ų54.551%0.50928%0.278SS..THydrogen-bonded Turntrans-73.7-0.3172.7-68.8172.84.400113.5E207 T208 F209 Q213E207-Q211 WeakPolarHBondContact O-CB 3.28Å; E207-Q211 VanDerWaalsContact O-CG 3.26Å; E207-Q211 WeakPolarHBondContact O-CG 3.38Å; E207-Q211 PolarHBondContact O-N 3.46Å; T208-Q211 CarbonylContact O-C 3.56Å; T208-Q211 PolarHBondContact O-N 3.07Å; F209-Q211 VanDerWaalsContact C-N 3.29Å; F209-Q211 PolarHBondContact O-N 3.26Å; Q211-Q213 HydrophobicContact CB-CG 3.99Å; Q211-Q213 PolarHBondContact O-N 3.07Å
212N95.8Very high97.7Very high109 Ų10954.5 Ų54.558%0.58328%0.278SS*.THydrogen-bonded Turntrans58.333.3-179.9-17463.8000113.1T208 F209 V210 K214T208-N212 PolarHBondContact O-N 2.95Å; F209-N212 WeakPolarHBondContact O-CA 3.35Å; F209-N212 PolarHBondContact O-N 2.88Å; V210-N212 PolarHBondContact O-N 2.98Å; N212-K214 PolarHBondContact O-N 3Å; N212-K214 WeakPolarHBondContact OD1-CE 3.43Å
213Q96.4Very high97.5Very high44 Ų4451.6 Ų51.621%0.20627%0.265CS..  trans-77.7100.3170.8-60-63.3-19.900108.5T208 Q211 I216T208-Q213 WeakPolarHBondContact O-CB 3.47Å; T208-Q213 PolarHBondContact O-N 3.2Å; Q211-Q213 HydrophobicContact CB-CG 3.99Å; Q211-Q213 PolarHBondContact O-N 3.07Å; Q213-I216 HydrophobicContact CB-CB 4.25Å; Q213-I216 HydrophobicContact CB-CG1 3.72Å; Q213-I216 HydrophobicContact CG-CG1 4.49Å
214K94.7Very high97.1Very high141 Ų14149.7 Ų49.761%0.61325%0.249SC*.SBendtrans-87.5-27.8-168.6-70.1-178.5-177.2174.50112.7D168 N212 K217D168-K214 PolarHBondContact OD1-N 3.37Å; N212-K214 PolarHBondContact O-N 3Å; N212-K214 WeakPolarHBondContact OD1-CE 3.43Å; K214-K217 PolarHBondContact O-NZ 2.95Å
215G97.4Very high96.6Very high17 Ų1749.5 Ų49.518%0.17525%0.247CC..SBendtrans-89.7-3.9178.900000114D168 G170D168-G215 VanDerWaalsContact O-CA 3.25Å; D168-G215 WeakPolarHBondContact O-CA 3.12Å; D168-G215 PolarHBondContact OD1-N 3.09Å; G170-G215 PolarHBondContact N-O 3.49Å
216I98.4Very high96Very high7 Ų747 Ų474%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-84.4118.9170.6-48.6-60.7000109.7L161 M164 I165 T208 Q213L161-I216 HydrophobicContact CD1-CG2 4.12Å; M164-I216 VanDerWaalsContact C-CD1 3.42Å; M164-I216 HydrophobicContact CB-CD1 3.58Å; M164-I216 WeakPolarHBondContact O-CD1 3.47Å; I165-I216 HydrophobicContact CG1-CD1 4.43Å; I165-I216 HydrophobicContact CG1-CG1 4.41Å; T208-I216 HydrophobicContact CG2-CG2 4.15Å; Q213-I216 HydrophobicContact CB-CB 4.25Å; Q213-I216 HydrophobicContact CB-CG1 3.72Å; Q213-I216 HydrophobicContact CG-CG1 4.49Å
217K98.6Very high95.4Very high59 Ų5949.6 Ų49.626%0.25724%0.242SC..EExtended strand (participates in β ladder)trans-108.8157.4177.8-49.4-56.8-179.9-170.30110.4G170 H171 L172 K214 E261G170-K217 PolarHBondContact O-N 3.47Å; H171-K217 WeakPolarHBondContact CA-O 3.41Å; H171-K217 HydrophobicContact CB-CB 4.28Å; H171-K217 VanDerWaalsContact CD2-CB 3.5Å; H171-K217 WeakPolarHBondContact CD2-CB 3.45Å; H171-K217 PolarHBondContact CD2-O 3.44Å; L172-K217 PolarHBondContact N-O 3.39Å; K214-K217 PolarHBondContact O-NZ 2.95Å; K217-E261 WeakPolarHBondContact CE-OE1 3.27Å; K217-E261 VanDerWaalsContact CE-OE2 3.28Å; K217-E261 WeakPolarHBondContact CE-OE2 3.21Å; K217-E261 HydrophobicContact CG-CG 4.31Å; K217-E261 WeakPolarHBondContact CG-OE1 3.42Å; K217-E261 IonicContact NZ-OE2 3.34Å
218T98.7Very high94.6Very high5 Ų546 Ų463%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-135139.4171.3-56.80000109L172 A201 F205 I220 M263L172-T218 CarbonylContact O-C 3.6Å; L172-T218 VanDerWaalsContact O-CA 3.22Å; L172-T218 WeakPolarHBondContact O-CA 3.47Å; A201-T218 HydrophobicContact CB-CG2 4.49Å; F205-T218 HydrophobicContact CB-CG2 4.27Å; T218-I220 HydrophobicContact CG2-CG1 4.15Å; T218-M263 VanDerWaalsContact CB-SD 3.57Å; T218-M263 HydrophobicContact CG2-CE 3.89Å; T218-M263 HydrophobicContact CG2-SD 3.72Å; T218-M263 WeakPolarHBondContact O-CA 3.36Å
219T98.9Very high93.7Very high0 Ų047.1 Ų47.10%024%0.239CC..EExtended strand (participates in β ladder)trans-131.7119.6171.3-66.40000108.7H171 L172 V173 C174 V221 I258 K262H171-T219 PolarHBondContact CE1-OG1 2.88Å; H171-T219 WeakPolarHBondContact NE2-CB 3.46Å; H171-T219 PolarHBondContact NE2-N 3.15Å; H171-T219 PolarHBondContact NE2-OG1 3.38Å; L172-T219 PolarHBondContact O-N 3.44Å; V173-T219 CarbonylContact C-O 3.56Å; V173-T219 WeakPolarHBondContact CA-O 3.32Å; C174-T219 PolarHBondContact N-O 3.48Å; T219-V221 HydrophobicContact CG2-CG2 3.77Å; T219-I258 HydrophobicContact CG2-CG1 4.09Å; T219-K262 WeakPolarHBondContact CA-O 3.28Å; T219-K262 WeakPolarHBondContact CB-O 3.42Å; T219-K262 VanDerWaalsContact CG2-O 3.29Å; T219-K262 WeakPolarHBondContact CG2-O 3.44Å; T219-K262 PolarHBondContact OG1-O 3.36Å; T219-K262 VanDerWaalsContact OG1-O 3.12Å
220I98.8Very high93Very high0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-106.1118.5176.6-52.1179.6000108.6F198 A201 E202 T218 M263 Y264 F265F198-I220 HydrophobicContact CD2-CG2 3.45Å; F198-I220 VanDerWaalsContact CD2-CG2 3.45Å; F198-I220 HydrophobicContact CE2-CB 4.49Å; F198-I220 HydrophobicContact CE2-CG2 3.7Å; F198-I220 HydrophobicContact CG-CG2 4.28Å; A201-I220 HydrophobicContact CB-CD1 3.69Å; A201-I220 HydrophobicContact CB-CG1 3.85Å; E202-I220 HydrophobicContact CB-CD1 4.12Å; T218-I220 HydrophobicContact CG2-CG1 4.15Å; I220-M263 HydrophobicContact CD1-CE 3.56Å; I220-M263 HydrophobicContact CG1-CE 4.05Å; I220-M263 PolarHBondContact N-O 2.9Å; I220-Y264 HydrophobicContact CB-CD1 4.39Å; I220-Y264 HydrophobicContact CD1-CD1 4.48Å; I220-Y264 HydrophobicContact CD1-CE1 4.08Å; I220-F265 PolarHBondContact O-N 3.45Å
221V98.6Very high92.3Very high0 Ų038.7 Ų38.70%019%0.194CC..EExtended strand (participates in β ladder)trans-107118.7-172.1176.30000108.4V173 C174 I175 S176 T219 P223 I254 F265V173-V221 HydrophobicContact CG1-CG2 4.27Å; C174-V221 PolarHBondContact O-N 3.48Å; I175-V221 HydrophobicContact CD1-CB 3.73Å; I175-V221 HydrophobicContact CD1-CG1 3.94Å; I175-V221 HydrophobicContact CD1-CG2 3.83Å; S176-V221 CarbonylContact C-O 3.59Å; S176-V221 WeakPolarHBondContact CA-O 3.36Å; S176-V221 PolarHBondContact N-O 2.92Å; T219-V221 HydrophobicContact CG2-CG2 3.77Å; V221-P223 VanDerWaalsContact C-CD 3.49Å; V221-P223 WeakPolarHBondContact O-CD 3.35Å; V221-I254 HydrophobicContact CG1-CD1 3.68Å; V221-I254 HydrophobicContact CG1-CG1 3.64Å; V221-I254 HydrophobicContact CG1-CG2 4.26Å; V221-I254 HydrophobicContact CG2-CG2 4.11Å; V221-F265 WeakPolarHBondContact CA-O 3.24Å; V221-F265 HydrophobicContact CG1-CD1 4.17Å
222C97.3Very high91.7Very high0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-119.681.8179.1-55.70000110S177 L181 F265 Y266 M267S177-C222 WeakPolarHBondContact O-CB 3.4Å; L181-C222 HydrophobicContact CD1-CB 3.79Å; L181-C222 HydrophobicContact CG-CB 4.3Å; C222-F265 PolarHBondContact N-O 3.18Å; C222-Y266 HydrophobicContact CB-CD1 3.56Å; C222-Y266 HydrophobicContact CB-CE1 4.06Å; C222-Y266 HydrophobicContact CB-CG 4.38Å; C222-M267 PolarHBondContact O-N 2.98Å; C222-M267 VanDerWaalsContact O-N 3.14Å
223P94.2Very high90.9Very high10 Ų1035.4 Ų35.47%0.06519%0.185CC..EExtended strand (participates in β ladder)trans-79.3148.3175.533-34.6000110.9S177 S178 V221 I226 L245 M267S177-P223 PolarHBondContact OG-O 2.86Å; S178-P223 PolarHBondContact N-O 3.46Å; S178-P223 PolarHBondContact OG-O 3.19Å; V221-P223 VanDerWaalsContact C-CD 3.49Å; V221-P223 WeakPolarHBondContact O-CD 3.35Å; P223-I226 HydrophobicContact CB-CD1 3.84Å; P223-I226 HydrophobicContact CB-CG1 4.12Å; P223-I226 HydrophobicContact CG-CD1 4.08Å; P223-L245 HydrophobicContact CB-CD1 4.38Å; P223-M267 CarbonylContact C-O 3.55Å; P223-M267 WeakPolarHBondContact CA-O 3.44Å; P223-M267 HydrophobicContact CB-CG 3.67Å; P223-M267 HydrophobicContact CB-SD 4.05Å
224F90.4Very high90.2Very high22 Ų2233.9 Ų33.910%0.09618%0.179CC..  trans-71.6-169158.9-165.5-119.7000110.1I226 L242 L245 M267 L271F224-I226 PolarHBondContact O-N 2.79Å; F224-L242 HydrophobicContact CD1-CB 4.4Å; F224-L242 HydrophobicContact CE1-CB 3.92Å; F224-L242 HydrophobicContact CZ-CB 4.2Å; F224-L245 HydrophobicContact CB-CD1 4.29Å; F224-M267 PolarHBondContact N-O 2.95Å; F224-L271 HydrophobicContact CB-CD1 4.49Å
225F87.5Confident89.5Confident11 Ų1130.5 Ų30.55%0.04817%0.17CC..  trans-56.5126.5178.7-60.2-53.5000111.5F231 C234 I244 L245 A298 M299F225-F231 HydrophobicContact CD1-CB 4.15Å; F225-F231 AromaticContact CD1-CD1 3.55Å; F225-F231 HydrophobicContact CD1-CD1 3.55Å; F225-F231 HydrophobicContact CD1-CD2 4.35Å; F225-F231 AromaticContact CD1-CE1 3.95Å; F225-F231 HydrophobicContact CD1-CE1 3.95Å; F225-F231 AromaticContact CD1-CG 3.77Å; F225-F231 HydrophobicContact CD1-CG 3.77Å; F225-F231 AromaticContact CE1-CD1 3.66Å; F225-F231 HydrophobicContact CE1-CD1 3.66Å; F225-F231 AromaticContact CE1-CE1 3.81Å; F225-F231 HydrophobicContact CE1-CE1 3.81Å; F225-F231 HydrophobicContact CE1-CG 4.35Å; F225-C234 HydrophobicContact CD1-CB 4.46Å; F225-C234 HydrophobicContact CD2-CB 4.32Å; F225-C234 HydrophobicContact CE2-CB 4.49Å; F225-C234 HydrophobicContact CG-CB 4.31Å; F225-I244 HydrophobicContact CB-CG1 4.45Å; F225-I244 HydrophobicContact CB-CG2 4.44Å; F225-L245 PolarHBondContact O-N 3.12Å; F225-A298 HydrophobicContact CE2-CB 3.8Å; F225-A298 HydrophobicContact CZ-CB 4.32Å; F225-M299 HydrophobicContact CE1-SD 3.73Å; F225-M299 HydrophobicContact CZ-CG 4.41Å; F225-M299 HydrophobicContact CZ-SD 3.68Å
226I87.4Confident88.9Confident11 Ų1131.2 Ų31.26%0.05617%0.171CC..BIsolated β-bridgetrans-107.1133.4171-52.4174.2000106.5L52 P223 F224 T228 L245 P247 A250L52-I226 HydrophobicContact CD1-CD1 4.49Å; L52-I226 HydrophobicContact CD2-CD1 4.02Å; P223-I226 HydrophobicContact CB-CD1 3.84Å; P223-I226 HydrophobicContact CB-CG1 4.12Å; P223-I226 HydrophobicContact CG-CD1 4.08Å; F224-I226 PolarHBondContact O-N 2.79Å; I226-T228 HydrophobicContact CB-CG2 4.25Å; I226-T228 HydrophobicContact CG2-CG2 3.78Å; I226-T228 PolarHBondContact O-N 2.98Å; I226-T228 PolarHBondContact O-OG1 3.41Å; I226-L245 WeakPolarHBondContact CA-O 3.42Å; I226-L245 HydrophobicContact CG1-CB 4.24Å; I226-L245 HydrophobicContact CG1-CD1 4.21Å; I226-P247 HydrophobicContact CG2-CB 4.16Å; I226-P247 HydrophobicContact CG2-CG 4.15Å; I226-A250 HydrophobicContact CD1-CB 3.85Å; I226-A250 HydrophobicContact CG1-CB 4.17Å; I226-A250 HydrophobicContact CG2-CB 4.06Å
227K84.7Confident87.9Confident132 Ų13233.4 Ų33.457%0.57419%0.191SC*.SBendtrans-70.561.6-178.3-165.2-177.9175.5-176.50112.5I244 L245 E246 P247K227-I244 HydrophobicContact CB-CG2 3.89Å; K227-L245 PolarHBondContact N-O 3Å; K227-E246 IonicContact NZ-OE1 3.62Å; K227-P247 HydrophobicContact CB-CG 4.45Å; K227-P247 WeakPolarHBondContact O-CG 3.47Å
228T82.3Confident87Confident25 Ų2531.9 Ų31.915%0.15319%0.187CC..SBendtrans-106169.2172.565.70000108.8I226 M230 F231 P247I226-T228 HydrophobicContact CB-CG2 4.25Å; I226-T228 HydrophobicContact CG2-CG2 3.78Å; I226-T228 PolarHBondContact O-N 2.98Å; I226-T228 PolarHBondContact O-OG1 3.41Å; T228-M230 PolarHBondContact O-N 3.33Å; T228-M230 PolarHBondContact OG1-N 3.13Å; T228-F231 PolarHBondContact O-N 2.87Å; T228-P247 HydrophobicContact CG2-CB 4.37Å; T228-P247 HydrophobicContact CG2-CG 4.23Å
229G76.9Confident86.3Confident28 Ų2835.5 Ų35.529%0.28921%0.211SC..THydrogen-bonded Turntrans-62.9-3172.400000115.1
230M83.1Confident85.4Confident59 Ų5940.7 Ų40.729%0.29125%0.247SC..THydrogen-bonded Turntrans-80.1-30.7175.8-177.9177.9-74.500113G127 V129 T228 F302G127-M230 WeakPolarHBondContact O-CE 3.46Å; V129-M230 HydrophobicContact CB-CG 4.38Å; V129-M230 HydrophobicContact CG1-CG 3.6Å; V129-M230 VanDerWaalsContact CG1-O 3.28Å; V129-M230 WeakPolarHBondContact CG1-O 3.36Å; T228-M230 PolarHBondContact O-N 3.33Å; T228-M230 PolarHBondContact OG1-N 3.13Å; M230-F302 VanDerWaalsContact O-CE2 3.29Å; M230-F302 WeakPolarHBondContact O-CE2 3.4Å
231F82.2Confident84.5Confident23 Ų2343.7 Ų43.710%0.10126%0.263CS..SBendtrans-125.737.1-176.2-70.3-75.8000110.8V129 Y190 F225 T228 G233 C234V129-F231 HydrophobicContact CG2-CE1 4.13Å; Y190-F231 HydrophobicContact CE1-CZ 4.14Å; Y190-F231 AromaticContact CZ-CZ 3.88Å; F225-F231 HydrophobicContact CD1-CB 4.15Å; F225-F231 AromaticContact CD1-CD1 3.55Å; F225-F231 HydrophobicContact CD1-CD1 3.55Å; F225-F231 HydrophobicContact CD1-CD2 4.35Å; F225-F231 AromaticContact CD1-CE1 3.95Å; F225-F231 HydrophobicContact CD1-CE1 3.95Å; F225-F231 AromaticContact CD1-CG 3.77Å; F225-F231 HydrophobicContact CD1-CG 3.77Å; F225-F231 AromaticContact CE1-CD1 3.66Å; F225-F231 HydrophobicContact CE1-CD1 3.66Å; F225-F231 AromaticContact CE1-CE1 3.81Å; F225-F231 HydrophobicContact CE1-CE1 3.81Å; F225-F231 HydrophobicContact CE1-CG 4.35Å; T228-F231 PolarHBondContact O-N 2.87Å; F231-G233 PolarHBondContact O-N 3.01Å; F231-C234 PolarHBondContact O-N 3.25Å; F231-C234 PolarHBondContact O-SG 3.13Å
232E83Confident83.8Confident114 Ų11444.1 Ų44.153%0.53327%0.265SS..THydrogen-bonded Turntrans-65133.6179.5-166.9171.4-17800110.1C234 L303E232-C234 VanDerWaalsContact C-N 3.34Å; E232-C234 PolarHBondContact O-N 3.24Å; E232-L303 HydrophobicContact CG-CD1 4.35Å; E232-L303 PolarHBondContact O-N 3.04Å
233G78.8Confident83.3Confident36 Ų3646.1 Ų46.137%0.37128%0.278SS..THydrogen-bonded Turntrans85.3-7.6-178.900000115.9F231 G301F231-G233 PolarHBondContact O-N 3.01Å; G233-G301 CarbonylContact C-O 3.32Å; G233-G301 VanDerWaalsContact CA-O 3.29Å; G233-G301 WeakPolarHBondContact CA-O 3.29Å; G233-G301 CarbonylContact O-C 3.36Å; G233-G301 VanDerWaalsContact O-C 3.25Å; G233-G301 WeakPolarHBondContact O-CA 3.22Å
234C81.8Confident83Confident11 Ų1148.4 Ų48.47%0.07429%0.289CS..  trans-64.3147.5172.5-63.30000111.7F225 F231 E232 I244 A298F225-C234 HydrophobicContact CD1-CB 4.46Å; F225-C234 HydrophobicContact CD2-CB 4.32Å; F225-C234 HydrophobicContact CE2-CB 4.49Å; F225-C234 HydrophobicContact CG-CB 4.31Å; F231-C234 PolarHBondContact O-N 3.25Å; F231-C234 PolarHBondContact O-SG 3.13Å; E232-C234 VanDerWaalsContact C-N 3.34Å; E232-C234 PolarHBondContact O-N 3.24Å; C234-I244 WeakPolarHBondContact O-CD1 3.3Å; C234-A298 WeakPolarHBondContact CA-O 3.42Å
235T81.8Confident82.9Confident70 Ų7047.8 Ų47.843%0.42929%0.287SS..  trans-126.3166.7-177.563.70000112A298T235-A298 PolarHBondContact N-O 3.47Å; T235-A298 VanDerWaalsContact N-O 3.09Å; T235-A298 WeakPolarHBondContact O-CB 3.43Å
236T83.3Confident83.2Confident32 Ų3251.8 Ų51.820%0.19631%0.306CS..  trans-143.5126.7173.5179.10000108.5C238 P239 L242 I244T236-C238 VanDerWaalsContact C-N 3.3Å; T236-P239 HydrophobicContact CG2-CB 4.37Å; T236-P239 HydrophobicContact CG2-CG 4.14Å; T236-L242 WeakPolarHBondContact CB-O 3.11Å; T236-L242 VanDerWaalsContact CG2-O 3.3Å; T236-L242 WeakPolarHBondContact CG2-O 3.02Å; T236-L242 PolarHBondContact OG1-O 3.2Å; T236-I244 HydrophobicContact CG2-CD1 4.4Å; T236-I244 HydrophobicContact CG2-CG1 3.97Å
237A77.8Confident83.5Confident54 Ų5452 Ų5245%0.44631%0.308SS..SBendtrans-81-12.8177.500000113.1P239 D294A237-P239 VanDerWaalsContact C-CD 3.48Å; A237-P239 WeakPolarHBondContact O-CD 3.28Å; A237-D294 HydrophobicContact CB-CB 3.31Å
238C80.4Confident84Confident27 Ų2751 Ų5118%0.18231%0.305CS..  trans-125.570.7177.6-73.30000112.3T236 S240 L241 L242 L293T236-C238 VanDerWaalsContact C-N 3.3Å; C238-S240 PolarHBondContact O-N 3.37Å; C238-S240 VanDerWaalsContact O-N 3.08Å; C238-L241 PolarHBondContact O-N 2.91Å; C238-L242 PolarHBondContact O-N 2.99Å; C238-L293 HydrophobicContact CB-CD2 4.19Å; C238-L293 WeakPolarHBondContact SG-CD2 3.48Å
239P82.8Confident84.6Confident81 Ų8155.6 Ų55.653%0.52632%0.321SS..THydrogen-bonded Turntrans-58.9-24-178.6-21.530.4000114.5T236 A237 P243T236-P239 HydrophobicContact CG2-CB 4.37Å; T236-P239 HydrophobicContact CG2-CG 4.14Å; A237-P239 VanDerWaalsContact C-CD 3.48Å; A237-P239 WeakPolarHBondContact O-CD 3.28Å; P239-P243 WeakPolarHBondContact O-CA 3.29Å; P239-P243 VanDerWaalsContact O-CB 3.25Å; P239-P243 WeakPolarHBondContact O-CB 3.29Å; P239-P243 VanDerWaalsContact O-CD 3.27Å; P239-P243 WeakPolarHBondContact O-CD 3.2Å
240S81.3Confident85.5Confident108 Ų10854.3 Ų54.376%0.75531%0.307SS*.THydrogen-bonded Turntrans-69.5-30.5177.455.30000113.4C238C238-S240 PolarHBondContact O-N 3.37Å; C238-S240 VanDerWaalsContact O-N 3.08Å
241L79.8Confident86.2Confident64 Ų6451.5 Ų51.534%0.33529%0.293SS..THydrogen-bonded Turntrans-103.7-40-178-64.2177.7000112C238 P243 F270 L293C238-L241 PolarHBondContact O-N 2.91Å; L241-P243 VanDerWaalsContact C-CD 3.4Å; L241-P243 WeakPolarHBondContact O-CD 3.44Å; L241-F270 HydrophobicContact CB-CD1 3.97Å; L241-F270 HydrophobicContact CB-CE1 3.98Å; L241-F270 HydrophobicContact CB-CG 4.4Å; L241-F270 HydrophobicContact CB-CZ 4.42Å; L241-F270 HydrophobicContact CD1-CE1 4.28Å; L241-F270 HydrophobicContact CD1-CZ 4.07Å; L241-F270 HydrophobicContact CD2-CD2 4.11Å; L241-F270 HydrophobicContact CD2-CE2 3.98Å; L241-F270 HydrophobicContact CD2-CG 4.48Å; L241-F270 HydrophobicContact CD2-CZ 4.22Å; L241-F270 HydrophobicContact CG-CZ 4.48Å; L241-F270 WeakPolarHBondContact O-CB 3.47Å; L241-L293 HydrophobicContact CD1-CD2 4.44Å
242L82.8Confident86.9Confident8 Ų854.1 Ų54.14%0.04231%0.306CS..SBendtrans-12764.7-177.7-64.7173.9000110.2F224 T236 C238 P268 F270 L271 I295F224-L242 HydrophobicContact CD1-CB 4.4Å; F224-L242 HydrophobicContact CE1-CB 3.92Å; F224-L242 HydrophobicContact CZ-CB 4.2Å; T236-L242 WeakPolarHBondContact CB-O 3.11Å; T236-L242 VanDerWaalsContact CG2-O 3.3Å; T236-L242 WeakPolarHBondContact CG2-O 3.02Å; T236-L242 PolarHBondContact OG1-O 3.2Å; C238-L242 PolarHBondContact O-N 2.99Å; L242-P268 HydrophobicContact CD2-CG 4.22Å; L242-F270 HydrophobicContact CD2-CD1 4.07Å; L242-F270 HydrophobicContact CG-CD1 4.38Å; L242-L271 HydrophobicContact CD2-CD2 4.12Å; L242-I295 HydrophobicContact CD1-CD1 3.8Å; L242-I295 HydrophobicContact CD1-CG1 4.03Å
243P87.9Confident87.6Confident42 Ų4251.1 Ų51.127%0.27329%0.291SS..PPolyproline II helixtrans-64.8141.2176.225.4-33.2000111P239 L241 L245 P268P239-P243 WeakPolarHBondContact O-CA 3.29Å; P239-P243 VanDerWaalsContact O-CB 3.25Å; P239-P243 WeakPolarHBondContact O-CB 3.29Å; P239-P243 VanDerWaalsContact O-CD 3.27Å; P239-P243 WeakPolarHBondContact O-CD 3.2Å; L241-P243 VanDerWaalsContact C-CD 3.4Å; L241-P243 WeakPolarHBondContact O-CD 3.44Å; P243-L245 PolarHBondContact O-N 2.94Å; P243-P268 HydrophobicContact CG-CB 4.45Å
244I86.9Confident88.5Confident58 Ų5849.4 Ų49.430%0.29727%0.273SS..PPolyproline II helixtrans-65128.5160.1-59.5174.8000107F225 K227 C234 T236F225-I244 HydrophobicContact CB-CG1 4.45Å; F225-I244 HydrophobicContact CB-CG2 4.44Å; K227-I244 HydrophobicContact CB-CG2 3.89Å; C234-I244 WeakPolarHBondContact O-CD1 3.3Å; T236-I244 HydrophobicContact CG2-CD1 4.4Å; T236-I244 HydrophobicContact CG2-CG1 3.97Å
245L89.1Confident89.3Confident9 Ų948.9 Ų48.95%0.04727%0.269CS..BIsolated β-bridgetrans-86.9132.3-169.9-58.7163.6000110.1P223 F224 F225 I226 K227 P243 A250 M267P223-L245 HydrophobicContact CB-CD1 4.38Å; F224-L245 HydrophobicContact CB-CD1 4.29Å; F225-L245 PolarHBondContact O-N 3.12Å; I226-L245 WeakPolarHBondContact CA-O 3.42Å; I226-L245 HydrophobicContact CG1-CB 4.24Å; I226-L245 HydrophobicContact CG1-CD1 4.21Å; K227-L245 PolarHBondContact N-O 3Å; P243-L245 PolarHBondContact O-N 2.94Å; L245-A250 HydrophobicContact CB-CB 4.45Å; L245-M267 HydrophobicContact CB-CE 4.36Å; L245-M267 HydrophobicContact CD1-CB 4.44Å; L245-M267 HydrophobicContact CD1-CE 3.5Å; L245-M267 VanDerWaalsContact CD1-CE 3.5Å; L245-M267 HydrophobicContact CD1-CG 3.75Å; L245-M267 HydrophobicContact CD1-SD 4.09Å; L245-M267 HydrophobicContact CD2-CE 3.88Å; L245-M267 HydrophobicContact CG-CE 4.1Å
246E93.6Very high90.1Very high96 Ų9647.4 Ų47.445%0.44926%0.258SS..PPolyproline II helixtrans-67.6134.6170.9-68.9-58.414600110.1K227 E248 Y249 A250K227-E246 IonicContact NZ-OE1 3.62Å; E246-E248 PolarHBondContact O-N 3.2Å; E246-Y249 PolarHBondContact O-N 3.13Å; E246-A250 PolarHBondContact O-N 3.01Å
247P93.4Very high90.8Very high15 Ų1545.9 Ų45.910%0.09725%0.248CC..Hα-helixtrans-58.8-43.2-171.1-27.336.9000114.5L55 I226 K227 T228 A250 A251L55-P247 HydrophobicContact CD1-CB 3.3Å; I226-P247 HydrophobicContact CG2-CB 4.16Å; I226-P247 HydrophobicContact CG2-CG 4.15Å; K227-P247 HydrophobicContact CB-CG 4.45Å; K227-P247 WeakPolarHBondContact O-CG 3.47Å; T228-P247 HydrophobicContact CG2-CB 4.37Å; T228-P247 HydrophobicContact CG2-CG 4.23Å; P247-A250 PolarHBondContact O-N 3.42Å; P247-A251 WeakPolarHBondContact O-CB 3.15Å; P247-A251 PolarHBondContact O-N 3.2Å
248E94.7Very high91.8Very high111 Ų11143.3 Ų43.352%0.51923%0.227SC..Hα-helixtrans-65.7-42.9-178.2-67.769.6-154.800110.9L55 E246 A251 E252L55-E248 HydrophobicContact CD2-CG 4.38Å; E246-E248 PolarHBondContact O-N 3.2Å; E248-A251 PolarHBondContact O-N 3.01Å; E248-E252 WeakPolarHBondContact O-CB 3.39Å; E248-E252 PolarHBondContact O-N 3.46Å
249Y95.3Very high92.6Very high122 Ų12242.2 Ų42.248%0.47822%0.22SC..Hα-helixtrans-62.8-44.2174.8172.7-101.7000111.1E246 E252 K253 M267E246-Y249 PolarHBondContact O-N 3.13Å; Y249-E252 PolarHBondContact O-N 3.06Å; Y249-K253 HydrophobicContact CD2-CG 4.12Å; Y249-K253 HydrophobicContact CE1-CG 4.17Å; Y249-K253 HydrophobicContact CE2-CD 4.21Å; Y249-K253 HydrophobicContact CE2-CG 3.67Å; Y249-K253 WeakPolarHBondContact O-CG 3.35Å; Y249-K253 PolarHBondContact O-N 2.92Å; Y249-M267 HydrophobicContact CD1-CE 4.31Å; Y249-M267 HydrophobicContact CE1-CE 4.2Å
250A96.3Very high93.3Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-60.8-49.417700000111.5I226 L245 E246 P247 E252 K253 I254 M267I226-A250 HydrophobicContact CD1-CB 3.85Å; I226-A250 HydrophobicContact CG1-CB 4.17Å; I226-A250 HydrophobicContact CG2-CB 4.06Å; L245-A250 HydrophobicContact CB-CB 4.45Å; E246-A250 PolarHBondContact O-N 3.01Å; P247-A250 PolarHBondContact O-N 3.42Å; A250-E252 PolarHBondContact O-N 3.39Å; A250-K253 PolarHBondContact O-N 3.46Å; A250-I254 WeakPolarHBondContact O-CB 3.49Å; A250-I254 WeakPolarHBondContact O-CD1 3.2Å; A250-I254 WeakPolarHBondContact O-CG1 3.34Å; A250-I254 PolarHBondContact O-N 2.97Å; A250-M267 HydrophobicContact CB-CE 3.65Å; A250-M267 HydrophobicContact CB-SD 4.15Å
251A97.8Very high94Very high0 Ų036.7 Ų36.70%018%0.175CC..Hα-helixtrans-60.3-43.9178.800000112.3L52 L55 L56 Q59 P247 E248 I254 V255L52-A251 HydrophobicContact CD1-CB 4Å; L55-A251 HydrophobicContact CB-CB 3.51Å; L55-A251 HydrophobicContact CD1-CB 4.46Å; L56-A251 HydrophobicContact CD2-CB 4.22Å; Q59-A251 HydrophobicContact CG-CB 4.43Å; P247-A251 WeakPolarHBondContact O-CB 3.15Å; P247-A251 PolarHBondContact O-N 3.2Å; E248-A251 PolarHBondContact O-N 3.01Å; A251-I254 PolarHBondContact O-N 3.4Å; A251-V255 WeakPolarHBondContact O-CG2 3.33Å; A251-V255 PolarHBondContact O-N 3.49Å
252E97.1Very high94.8Very high78 Ų7837.4 Ų37.436%0.36418%0.175SC..Hα-helixtrans-58.8-51.4176.1-178.3179.9-158.200111.5E248 Y249 A250 I254 V255 E256E248-E252 WeakPolarHBondContact O-CB 3.39Å; E248-E252 PolarHBondContact O-N 3.46Å; Y249-E252 PolarHBondContact O-N 3.06Å; A250-E252 PolarHBondContact O-N 3.39Å; E252-I254 VanDerWaalsContact C-N 3.33Å; E252-I254 PolarHBondContact O-N 2.99Å; E252-V255 PolarHBondContact O-N 3.32Å; E252-E256 WeakPolarHBondContact O-CG 3.45Å; E252-E256 PolarHBondContact O-N 2.92Å
253K97.3Very high95.4Very high51 Ų5138.5 Ų38.522%0.22218%0.181CC..Hα-helixtrans-67.8-31.8-178.5-64.2-52.8177.4-161.10113.6Y249 A250 E256 A257 F265Y249-K253 HydrophobicContact CD2-CG 4.12Å; Y249-K253 HydrophobicContact CE1-CG 4.17Å; Y249-K253 HydrophobicContact CE2-CD 4.21Å; Y249-K253 HydrophobicContact CE2-CG 3.67Å; Y249-K253 WeakPolarHBondContact O-CG 3.35Å; Y249-K253 PolarHBondContact O-N 2.92Å; A250-K253 PolarHBondContact O-N 3.46Å; K253-E256 WeakPolarHBondContact CD-OE2 3.43Å; K253-E256 IonicContact NZ-OE1 2.74Å; K253-E256 PolarHBondContact NZ-OE1 2.89Å; K253-E256 IonicContact NZ-OE2 2.86Å; K253-E256 PolarHBondContact NZ-OE2 3.29Å; K253-A257 WeakPolarHBondContact O-CB 3.35Å; K253-A257 PolarHBondContact O-N 3.17Å; K253-F265 HydrophobicContact CB-CE1 4.36Å; K253-F265 HydrophobicContact CB-CZ 3.81Å
254I98.4Very high95.8Very high0 Ų040.3 Ų40.30%018%0.183CC..Hα-helixtrans-65.1-47.7172.4-70.3169.2000110.1L52 L56 I175 V221 A250 A251 E252 E256 A257 I258 F265 M267L52-I254 HydrophobicContact CD1-CD1 3.95Å; L52-I254 HydrophobicContact CD2-CD1 3.95Å; L56-I254 HydrophobicContact CD2-CB 4.09Å; L56-I254 HydrophobicContact CD2-CG2 3.73Å; I175-I254 HydrophobicContact CD1-CG2 4.19Å; V221-I254 HydrophobicContact CG1-CD1 3.68Å; V221-I254 HydrophobicContact CG1-CG1 3.64Å; V221-I254 HydrophobicContact CG1-CG2 4.26Å; V221-I254 HydrophobicContact CG2-CG2 4.11Å; A250-I254 WeakPolarHBondContact O-CB 3.49Å; A250-I254 WeakPolarHBondContact O-CD1 3.2Å; A250-I254 WeakPolarHBondContact O-CG1 3.34Å; A250-I254 PolarHBondContact O-N 2.97Å; A251-I254 PolarHBondContact O-N 3.4Å; E252-I254 VanDerWaalsContact C-N 3.33Å; E252-I254 PolarHBondContact O-N 2.99Å; I254-E256 PolarHBondContact O-N 3.21Å; I254-A257 WeakPolarHBondContact O-CB 3.28Å; I254-A257 PolarHBondContact O-N 2.91Å; I254-A257 VanDerWaalsContact O-N 3.15Å; I254-I258 HydrophobicContact CG2-CD1 3.87Å; I254-I258 VanDerWaalsContact O-CG1 3.29Å; I254-I258 WeakPolarHBondContact O-CG1 3.17Å; I254-I258 PolarHBondContact O-N 3.14Å; I254-F265 HydrophobicContact CG1-CD1 4.22Å; I254-F265 HydrophobicContact CG1-CE1 3.88Å; I254-M267 HydrophobicContact CD1-SD 4.2Å; I254-M267 HydrophobicContact CG1-SD 4.07Å
255V98.3Very high96.3Very high0 Ų038.6 Ų38.60%017%0.173CC..Hα-helixtrans-62.2-43.5176.4173.40000111L56 Q59 F60 A251 E252 A257 I258 L259L56-V255 HydrophobicContact CD2-CG2 3.78Å; Q59-V255 HydrophobicContact CB-CB 4.34Å; Q59-V255 HydrophobicContact CB-CG1 4.48Å; Q59-V255 HydrophobicContact CB-CG2 3.7Å; Q59-V255 HydrophobicContact CG-CG2 4.33Å; F60-V255 HydrophobicContact CD2-CG2 4.11Å; F60-V255 HydrophobicContact CE2-CG1 4.39Å; F60-V255 HydrophobicContact CE2-CG2 3.69Å; F60-V255 HydrophobicContact CZ-CG1 4.27Å; F60-V255 HydrophobicContact CZ-CG2 4.3Å; A251-V255 WeakPolarHBondContact O-CG2 3.33Å; A251-V255 PolarHBondContact O-N 3.49Å; E252-V255 PolarHBondContact O-N 3.32Å; V255-A257 VanDerWaalsContact C-N 3.29Å; V255-A257 PolarHBondContact O-N 2.8Å; V255-I258 PolarHBondContact O-N 3.39Å; V255-I258 VanDerWaalsContact O-N 3.15Å; V255-L259 HydrophobicContact CG1-CD1 3.94Å; V255-L259 HydrophobicContact CG1-CG 4.09Å; V255-L259 VanDerWaalsContact O-CG 3.25Å; V255-L259 WeakPolarHBondContact O-CG 3.43Å; V255-L259 PolarHBondContact O-N 3Å
256E97.5Very high96.7Very high39 Ų3939.4 Ų39.418%0.18218%0.175CC..Hα-helixtrans-54.6-44173-72177.8-168.900112.2E252 K253 I254 L259 Q260E252-E256 WeakPolarHBondContact O-CG 3.45Å; E252-E256 PolarHBondContact O-N 2.92Å; K253-E256 WeakPolarHBondContact CD-OE2 3.43Å; K253-E256 IonicContact NZ-OE1 2.74Å; K253-E256 PolarHBondContact NZ-OE1 2.89Å; K253-E256 IonicContact NZ-OE2 2.86Å; K253-E256 PolarHBondContact NZ-OE2 3.29Å; I254-E256 PolarHBondContact O-N 3.21Å; E256-L259 PolarHBondContact O-N 2.99Å; E256-Q260 WeakPolarHBondContact O-CB 3.2Å; E256-Q260 VanDerWaalsContact O-CG 3.23Å; E256-Q260 WeakPolarHBondContact O-CG 3.35Å; E256-Q260 PolarHBondContact O-N 3.47Å
257A97.6Very high96.6Very high0 Ų035.1 Ų35.10%016%0.155CC..Hα-helixtrans-64.8-39.9178.300000112.6K253 I254 V255 Q260 E261 K262 F265K253-A257 WeakPolarHBondContact O-CB 3.35Å; K253-A257 PolarHBondContact O-N 3.17Å; I254-A257 WeakPolarHBondContact O-CB 3.28Å; I254-A257 PolarHBondContact O-N 2.91Å; I254-A257 VanDerWaalsContact O-N 3.15Å; V255-A257 VanDerWaalsContact C-N 3.29Å; V255-A257 PolarHBondContact O-N 2.8Å; A257-Q260 CarbonylContact O-C 3.58Å; A257-Q260 PolarHBondContact O-N 3.32Å; A257-E261 PolarHBondContact O-N 3.2Å; A257-K262 HydrophobicContact CB-CB 4.43Å; A257-K262 HydrophobicContact CB-CD 4.22Å; A257-K262 PolarHBondContact O-N 3.04Å; A257-F265 HydrophobicContact CB-CB 3.82Å; A257-F265 HydrophobicContact CB-CD1 3.91Å; A257-F265 HydrophobicContact CB-CD2 3.63Å; A257-F265 HydrophobicContact CB-CE1 4.43Å; A257-F265 HydrophobicContact CB-CE2 4.19Å; A257-F265 HydrophobicContact CB-CG 3.48Å; A257-F265 VanDerWaalsContact CB-CG 3.48Å
258I98.6Very high96.6Very high0 Ų035.3 Ų35.30%016%0.157CC..Hα-helixtrans-64-44174.4-63.5163.4000110.2F60 I123 H171 V173 T219 I254 V255 Q260 E261F60-I258 HydrophobicContact CE2-CD1 4.32Å; F60-I258 HydrophobicContact CZ-CD1 4.26Å; F60-I258 HydrophobicContact CZ-CG2 4.13Å; I123-I258 HydrophobicContact CD1-CD1 4.16Å; H171-I258 PolarHBondContact CE1-O 2.91Å; V173-I258 HydrophobicContact CB-CD1 4.47Å; V173-I258 HydrophobicContact CG1-CD1 3.79Å; V173-I258 HydrophobicContact CG1-CG1 3.97Å; V173-I258 HydrophobicContact CG2-CD1 4Å; V173-I258 HydrophobicContact CG2-CG1 3.87Å; V173-I258 HydrophobicContact CG2-CG2 3.99Å; T219-I258 HydrophobicContact CG2-CG1 4.09Å; I254-I258 HydrophobicContact CG2-CD1 3.87Å; I254-I258 VanDerWaalsContact O-CG1 3.29Å; I254-I258 WeakPolarHBondContact O-CG1 3.17Å; I254-I258 PolarHBondContact O-N 3.14Å; V255-I258 PolarHBondContact O-N 3.39Å; V255-I258 VanDerWaalsContact O-N 3.15Å; I258-Q260 VanDerWaalsContact C-N 3.27Å; I258-Q260 PolarHBondContact O-N 3.09Å; I258-E261 PolarHBondContact O-N 3Å; I258-E261 VanDerWaalsContact O-N 3.08Å
259L98.4Very high96.4Very high5 Ų538.3 Ų38.33%0.02617%0.168CC..Hα-helixtrans-68.3-28178.8-62.5179000112.6Q35 K36 V38 V255 E256 E261Q35-L259 WeakPolarHBondContact CA-O 2.91Å; Q35-L259 HydrophobicContact CB-CB 3.8Å; Q35-L259 HydrophobicContact CB-CD1 4.34Å; Q35-L259 HydrophobicContact CG-CB 3.89Å; Q35-L259 HydrophobicContact CG-CD1 4.47Å; K36-L259 HydrophobicContact CG-CD2 4.27Å; K36-L259 PolarHBondContact N-O 3.41Å; V38-L259 HydrophobicContact CB-CD2 4.22Å; V38-L259 HydrophobicContact CG1-CD2 3.34Å; V38-L259 HydrophobicContact CG2-CD2 3.81Å; V255-L259 HydrophobicContact CG1-CD1 3.94Å; V255-L259 HydrophobicContact CG1-CG 4.09Å; V255-L259 VanDerWaalsContact O-CG 3.25Å; V255-L259 WeakPolarHBondContact O-CG 3.43Å; V255-L259 PolarHBondContact O-N 3Å; E256-L259 PolarHBondContact O-N 2.99Å; L259-E261 VanDerWaalsContact C-N 3.31Å
260Q96.7Very high96.1Very high12 Ų1234.9 Ų34.96%0.05616%0.156CC..THydrogen-bonded Turntrans-84.9-3.4173.5-70.9177.8-23.600113.3K33 Q35 E256 A257 I258 K262K33-Q260 HydrophobicContact CB-CB 4.4Å; K33-Q260 HydrophobicContact CB-CG 4.16Å; K33-Q260 WeakPolarHBondContact CD-O 3.27Å; K33-Q260 WeakPolarHBondContact CE-O 3.4Å; K33-Q260 PolarHBondContact NZ-O 3.13Å; K33-Q260 PolarHBondContact O-NE2 3.22Å; Q35-Q260 HydrophobicContact CG-CG 4.07Å; E256-Q260 WeakPolarHBondContact O-CB 3.2Å; E256-Q260 VanDerWaalsContact O-CG 3.23Å; E256-Q260 WeakPolarHBondContact O-CG 3.35Å; E256-Q260 PolarHBondContact O-N 3.47Å; A257-Q260 CarbonylContact O-C 3.58Å; A257-Q260 PolarHBondContact O-N 3.32Å; I258-Q260 VanDerWaalsContact C-N 3.27Å; I258-Q260 PolarHBondContact O-N 3.09Å; Q260-K262 VanDerWaalsContact C-N 3.31Å; Q260-K262 HydrophobicContact CB-CG 4.12Å; Q260-K262 PolarHBondContact O-N 2.98Å
261E97.2Very high95.8Very high61 Ų6135.4 Ų35.429%0.28516%0.158SC..THydrogen-bonded Turntrans54.746.3-179.3-49.1-174.7143.200112K36 K217 A257 I258 L259 M263K36-E261 HydrophobicContact CD-CG 4.16Å; K36-E261 WeakPolarHBondContact CD-OE1 3.33Å; K36-E261 IonicContact NZ-OE1 2.71Å; K36-E261 PolarHBondContact NZ-OE1 2.95Å; K217-E261 WeakPolarHBondContact CE-OE1 3.27Å; K217-E261 VanDerWaalsContact CE-OE2 3.28Å; K217-E261 WeakPolarHBondContact CE-OE2 3.21Å; K217-E261 HydrophobicContact CG-CG 4.31Å; K217-E261 WeakPolarHBondContact CG-OE1 3.42Å; K217-E261 IonicContact NZ-OE2 3.34Å; A257-E261 PolarHBondContact O-N 3.2Å; I258-E261 PolarHBondContact O-N 3Å; I258-E261 VanDerWaalsContact O-N 3.08Å; L259-E261 VanDerWaalsContact C-N 3.31Å; E261-M263 PolarHBondContact O-N 2.84Å
262K95.6Very high95.5Very high79 Ų7939.8 Ų39.834%0.34318%0.176SC..  trans-80.1115.4177.2-71.5-177.9178.9162.20110T219 A257 Q260 Y264T219-K262 WeakPolarHBondContact CA-O 3.28Å; T219-K262 WeakPolarHBondContact CB-O 3.42Å; T219-K262 VanDerWaalsContact CG2-O 3.29Å; T219-K262 WeakPolarHBondContact CG2-O 3.44Å; T219-K262 PolarHBondContact OG1-O 3.36Å; T219-K262 VanDerWaalsContact OG1-O 3.12Å; A257-K262 HydrophobicContact CB-CB 4.43Å; A257-K262 HydrophobicContact CB-CD 4.22Å; A257-K262 PolarHBondContact O-N 3.04Å; Q260-K262 VanDerWaalsContact C-N 3.31Å; Q260-K262 HydrophobicContact CB-CG 4.12Å; Q260-K262 PolarHBondContact O-N 2.98Å; K262-Y264 VanDerWaalsContact C-N 3.29Å; K262-Y264 PolarHBondContact O-N 3.5Å
263M95.8Very high95.2Very high31 Ų3141 Ų4115%0.15318%0.18CC..SBendtrans-55-44.8175.8-178.756.4-173.600112.8F205 T218 I220 E261F205-M263 HydrophobicContact CB-CE 3.54Å; F205-M263 HydrophobicContact CB-SD 4.18Å; F205-M263 HydrophobicContact CD1-CE 3.74Å; F205-M263 HydrophobicContact CD1-SD 4.16Å; F205-M263 HydrophobicContact CD2-CE 4.29Å; F205-M263 HydrophobicContact CD2-SD 3.89Å; F205-M263 HydrophobicContact CE2-SD 4.34Å; F205-M263 HydrophobicContact CG-CE 3.57Å; F205-M263 HydrophobicContact CG-SD 3.79Å; T218-M263 VanDerWaalsContact CB-SD 3.57Å; T218-M263 HydrophobicContact CG2-CE 3.89Å; T218-M263 HydrophobicContact CG2-SD 3.72Å; T218-M263 WeakPolarHBondContact O-CA 3.36Å; I220-M263 HydrophobicContact CD1-CE 3.56Å; I220-M263 HydrophobicContact CG1-CE 4.05Å; I220-M263 PolarHBondContact N-O 2.9Å; E261-M263 PolarHBondContact O-N 2.84Å
264Y97.1Very high94.8Very high80 Ų8040.5 Ų40.531%0.31418%0.179SC..EExtended strand (participates in β ladder)trans-118.8130.6175.8-55.5-68.3000110.6F198 E202 I220 K262 Y266 Y272F198-Y264 HydrophobicContact CE1-CE1 4.46Å; F198-Y264 HydrophobicContact CE2-CD1 4.21Å; F198-Y264 HydrophobicContact CE2-CE1 4.27Å; F198-Y264 AromaticContact CZ-CD1 4Å; F198-Y264 HydrophobicContact CZ-CD1 4Å; F198-Y264 AromaticContact CZ-CE1 3.67Å; F198-Y264 HydrophobicContact CZ-CE1 3.67Å; E202-Y264 VanDerWaalsContact CD-OH 3.32Å; E202-Y264 WeakPolarHBondContact CG-OH 3.28Å; E202-Y264 WeakPolarHBondContact OE2-CE1 3.11Å; E202-Y264 PolarHBondContact OE2-OH 2.95Å; I220-Y264 HydrophobicContact CB-CD1 4.39Å; I220-Y264 HydrophobicContact CD1-CD1 4.48Å; I220-Y264 HydrophobicContact CD1-CE1 4.08Å; K262-Y264 VanDerWaalsContact C-N 3.29Å; K262-Y264 PolarHBondContact O-N 3.5Å; Y264-Y266 HydrophobicContact CD1-CE1 4.34Å; Y264-Y272 PolarHBondContact O-OH 3.47Å
265F97.3Very high94.4Very high21 Ų2142.1 Ų42.19%0.09219%0.187CC..EExtended strand (participates in β ladder)trans-132.2101.5173.1-179.1-112.3000110.8I220 V221 C222 K253 I254 A257 M267 Y272I220-F265 PolarHBondContact O-N 3.45Å; V221-F265 WeakPolarHBondContact CA-O 3.24Å; V221-F265 HydrophobicContact CG1-CD1 4.17Å; C222-F265 PolarHBondContact N-O 3.18Å; K253-F265 HydrophobicContact CB-CE1 4.36Å; K253-F265 HydrophobicContact CB-CZ 3.81Å; I254-F265 HydrophobicContact CG1-CD1 4.22Å; I254-F265 HydrophobicContact CG1-CE1 3.88Å; A257-F265 HydrophobicContact CB-CB 3.82Å; A257-F265 HydrophobicContact CB-CD1 3.91Å; A257-F265 HydrophobicContact CB-CD2 3.63Å; A257-F265 HydrophobicContact CB-CE1 4.43Å; A257-F265 HydrophobicContact CB-CE2 4.19Å; A257-F265 HydrophobicContact CB-CG 3.48Å; A257-F265 VanDerWaalsContact CB-CG 3.48Å; F265-M267 HydrophobicContact CE1-CB 4.1Å; F265-M267 HydrophobicContact CE1-CG 4.14Å; F265-M267 HydrophobicContact CE1-SD 3.72Å; F265-M267 HydrophobicContact CZ-CB 4.1Å; F265-M267 HydrophobicContact CZ-SD 4.29Å; F265-Y272 WeakPolarHBondContact CA-OH 3.38Å
266Y96.1Very high94.1Very high26 Ų2648.2 Ų48.210%0.10221%0.214CC..EExtended strand (participates in β ladder)trans-101.4132.3176.7-48.4-23.4000110.2L181 F198 C222 Y264 Y272 M275L181-Y266 HydrophobicContact CD1-CD1 4.05Å; L181-Y266 HydrophobicContact CD1-CD2 4.21Å; L181-Y266 HydrophobicContact CD1-CE1 3.93Å; L181-Y266 HydrophobicContact CD1-CE2 4.1Å; L181-Y266 HydrophobicContact CD1-CG 4.19Å; L181-Y266 HydrophobicContact CD2-CE1 4.33Å; F198-Y266 HydrophobicContact CE2-CE1 4.32Å; C222-Y266 HydrophobicContact CB-CD1 3.56Å; C222-Y266 HydrophobicContact CB-CE1 4.06Å; C222-Y266 HydrophobicContact CB-CG 4.38Å; Y264-Y266 HydrophobicContact CD1-CE1 4.34Å; Y266-Y272 AromaticContact CD2-CD1 3.43Å; Y266-Y272 HydrophobicContact CD2-CD1 3.43Å; Y266-Y272 VanDerWaalsContact CD2-CD1 3.43Å; Y266-Y272 HydrophobicContact CD2-CD2 4.08Å; Y266-Y272 AromaticContact CD2-CE1 3.4Å; Y266-Y272 HydrophobicContact CD2-CE1 3.4Å; Y266-Y272 VanDerWaalsContact CD2-CE1 3.4Å; Y266-Y272 HydrophobicContact CD2-CE2 4.05Å; Y266-Y272 AromaticContact CD2-CG 3.78Å; Y266-Y272 HydrophobicContact CD2-CG 3.78Å; Y266-Y272 AromaticContact CD2-CZ 3.72Å; Y266-Y272 AromaticContact CE2-CD1 3.81Å; Y266-Y272 HydrophobicContact CE2-CD1 3.81Å; Y266-Y272 AromaticContact CE2-CE1 3.74Å; Y266-Y272 HydrophobicContact CE2-CE1 3.74Å; Y266-Y272 HydrophobicContact CG-CD1 4.29Å; Y266-Y272 HydrophobicContact CG-CD2 4.38Å; Y266-Y272 AromaticContact CG-CE1 3.91Å; Y266-Y272 HydrophobicContact CG-CE1 3.91Å; Y266-Y272 HydrophobicContact CG-CE2 4Å; Y266-Y272 AromaticContact CG-CZ 3.74Å; Y266-Y272 PolarHBondContact N-OH 2.95Å; Y266-Y272 WeakPolarHBondContact O-CE2 3.47Å; Y266-M275 HydrophobicContact CE2-CG 4.36Å
267M92.8Very high93.6Very high6 Ų647.8 Ų47.83%0.0321%0.212CC..EExtended strand (participates in β ladder)trans-134.7129.1178.867.8179.1-59.800111.4C222 P223 F224 L245 Y249 A250 I254 F265 L271C222-M267 PolarHBondContact O-N 2.98Å; C222-M267 VanDerWaalsContact O-N 3.14Å; P223-M267 CarbonylContact C-O 3.55Å; P223-M267 WeakPolarHBondContact CA-O 3.44Å; P223-M267 HydrophobicContact CB-CG 3.67Å; P223-M267 HydrophobicContact CB-SD 4.05Å; F224-M267 PolarHBondContact N-O 2.95Å; L245-M267 HydrophobicContact CB-CE 4.36Å; L245-M267 HydrophobicContact CD1-CB 4.44Å; L245-M267 HydrophobicContact CD1-CE 3.5Å; L245-M267 VanDerWaalsContact CD1-CE 3.5Å; L245-M267 HydrophobicContact CD1-CG 3.75Å; L245-M267 HydrophobicContact CD1-SD 4.09Å; L245-M267 HydrophobicContact CD2-CE 3.88Å; L245-M267 HydrophobicContact CG-CE 4.1Å; Y249-M267 HydrophobicContact CD1-CE 4.31Å; Y249-M267 HydrophobicContact CE1-CE 4.2Å; A250-M267 HydrophobicContact CB-CE 3.65Å; A250-M267 HydrophobicContact CB-SD 4.15Å; I254-M267 HydrophobicContact CD1-SD 4.2Å; I254-M267 HydrophobicContact CG1-SD 4.07Å; F265-M267 HydrophobicContact CE1-CB 4.1Å; F265-M267 HydrophobicContact CE1-CG 4.14Å; F265-M267 HydrophobicContact CE1-SD 3.72Å; F265-M267 HydrophobicContact CZ-CB 4.1Å; F265-M267 HydrophobicContact CZ-SD 4.29Å; M267-L271 VanDerWaalsContact O-CD1 3.31Å; M267-L271 WeakPolarHBondContact O-CD1 3.42Å
268P92.4Very high93.1Very high20 Ų2052.5 Ų52.513%0.1323%0.233CC..SBendcis-68.1161-0.332.6-38.1000112.5L242 P243 F270 L271L242-P268 HydrophobicContact CD2-CG 4.22Å; P243-P268 HydrophobicContact CG-CB 4.45Å; P268-F270 PolarHBondContact O-N 3.03Å; P268-L271 HydrophobicContact CG-CG 4.46Å; P268-L271 WeakPolarHBondContact O-CB 3.12Å; P268-L271 WeakPolarHBondContact O-CG 3.48Å; P268-L271 PolarHBondContact O-N 3.3Å
269K90.4Very high92.6Very high174 Ų17457.6 Ų57.676%0.75727%0.269SS*.THydrogen-bonded Turntrans-57.4-23.4-179.3-73.3-178.2-179.6179.50113.4L271 Y272K269-L271 PolarHBondContact O-N 2.76Å; K269-L271 VanDerWaalsContact O-N 3.15Å; K269-Y272 WeakPolarHBondContact O-CB 3.39Å; K269-Y272 WeakPolarHBondContact O-CD2 3.49Å; K269-Y272 PolarHBondContact O-N 3.48Å
270F89.4Confident92.2Very high49 Ų4962.8 Ų62.822%0.21529%0.291CS..Hα-helixtrans-56.6-26.2174.2-172.2-112.3000112.8L241 L242 P268 Y272 F273 M274L241-F270 HydrophobicContact CB-CD1 3.97Å; L241-F270 HydrophobicContact CB-CE1 3.98Å; L241-F270 HydrophobicContact CB-CG 4.4Å; L241-F270 HydrophobicContact CB-CZ 4.42Å; L241-F270 HydrophobicContact CD1-CE1 4.28Å; L241-F270 HydrophobicContact CD1-CZ 4.07Å; L241-F270 HydrophobicContact CD2-CD2 4.11Å; L241-F270 HydrophobicContact CD2-CE2 3.98Å; L241-F270 HydrophobicContact CD2-CG 4.48Å; L241-F270 HydrophobicContact CD2-CZ 4.22Å; L241-F270 HydrophobicContact CG-CZ 4.48Å; L241-F270 WeakPolarHBondContact O-CB 3.47Å; L242-F270 HydrophobicContact CD2-CD1 4.07Å; L242-F270 HydrophobicContact CG-CD1 4.38Å; P268-F270 PolarHBondContact O-N 3.03Å; F270-Y272 VanDerWaalsContact C-N 3.27Å; F270-Y272 PolarHBondContact O-N 3.39Å; F270-F273 HydrophobicContact CD2-CB 4.46Å; F270-F273 HydrophobicContact CD2-CD1 4.2Å; F270-F273 AromaticContact CE2-CD1 3.55Å; F270-F273 HydrophobicContact CE2-CD1 3.55Å; F270-F273 HydrophobicContact CE2-CE1 4.17Å; F270-F273 HydrophobicContact CE2-CG 4.48Å; F270-F273 HydrophobicContact CZ-CD1 4.06Å; F270-F273 WeakPolarHBondContact O-CB 3.35Å; F270-F273 PolarHBondContact O-N 3.49Å; F270-F273 VanDerWaalsContact O-N 3.09Å; F270-M274 HydrophobicContact CD1-CG 3.79Å; F270-M274 HydrophobicContact CD1-SD 4.43Å; F270-M274 HydrophobicContact CE1-CG 3.55Å; F270-M274 HydrophobicContact CE1-SD 3.59Å; F270-M274 VanDerWaalsContact CE1-SD 3.59Å; F270-M274 HydrophobicContact CZ-CG 4.18Å; F270-M274 HydrophobicContact CZ-SD 3.91Å; F270-M274 PolarHBondContact O-N 2.78Å
271L90.3Very high91.9Very high11 Ų1164.3 Ų64.36%0.05830%0.299CS..Hα-helixtrans-59.3-33.3174.3-67.9179.6000113.3F224 L242 M267 P268 K269 F273 M274 M275F224-L271 HydrophobicContact CB-CD1 4.49Å; L242-L271 HydrophobicContact CD2-CD2 4.12Å; M267-L271 VanDerWaalsContact O-CD1 3.31Å; M267-L271 WeakPolarHBondContact O-CD1 3.42Å; P268-L271 HydrophobicContact CG-CG 4.46Å; P268-L271 WeakPolarHBondContact O-CB 3.12Å; P268-L271 WeakPolarHBondContact O-CG 3.48Å; P268-L271 PolarHBondContact O-N 3.3Å; K269-L271 PolarHBondContact O-N 2.76Å; K269-L271 VanDerWaalsContact O-N 3.15Å; L271-F273 VanDerWaalsContact C-N 3.31Å; L271-F273 PolarHBondContact O-N 2.79Å; L271-M274 PolarHBondContact O-N 3.3Å; L271-M275 WeakPolarHBondContact O-CG 3.29Å; L271-M275 PolarHBondContact O-N 2.93Å
272Y92.1Very high91.7Very high93 Ų9365.4 Ų65.437%0.36531%0.312SS..Hα-helixtrans-61.3-43174.7-73.7-83.1000111.5Y264 F265 Y266 K269 F270 M275 F276Y264-Y272 PolarHBondContact O-OH 3.47Å; F265-Y272 WeakPolarHBondContact CA-OH 3.38Å; Y266-Y272 AromaticContact CD2-CD1 3.43Å; Y266-Y272 HydrophobicContact CD2-CD1 3.43Å; Y266-Y272 VanDerWaalsContact CD2-CD1 3.43Å; Y266-Y272 HydrophobicContact CD2-CD2 4.08Å; Y266-Y272 AromaticContact CD2-CE1 3.4Å; Y266-Y272 HydrophobicContact CD2-CE1 3.4Å; Y266-Y272 VanDerWaalsContact CD2-CE1 3.4Å; Y266-Y272 HydrophobicContact CD2-CE2 4.05Å; Y266-Y272 AromaticContact CD2-CG 3.78Å; Y266-Y272 HydrophobicContact CD2-CG 3.78Å; Y266-Y272 AromaticContact CD2-CZ 3.72Å; Y266-Y272 AromaticContact CE2-CD1 3.81Å; Y266-Y272 HydrophobicContact CE2-CD1 3.81Å; Y266-Y272 AromaticContact CE2-CE1 3.74Å; Y266-Y272 HydrophobicContact CE2-CE1 3.74Å; Y266-Y272 HydrophobicContact CG-CD1 4.29Å; Y266-Y272 HydrophobicContact CG-CD2 4.38Å; Y266-Y272 AromaticContact CG-CE1 3.91Å; Y266-Y272 HydrophobicContact CG-CE1 3.91Å; Y266-Y272 HydrophobicContact CG-CE2 4Å; Y266-Y272 AromaticContact CG-CZ 3.74Å; Y266-Y272 PolarHBondContact N-OH 2.95Å; Y266-Y272 WeakPolarHBondContact O-CE2 3.47Å; K269-Y272 WeakPolarHBondContact O-CB 3.39Å; K269-Y272 WeakPolarHBondContact O-CD2 3.49Å; K269-Y272 PolarHBondContact O-N 3.48Å; F270-Y272 VanDerWaalsContact C-N 3.27Å; F270-Y272 PolarHBondContact O-N 3.39Å; Y272-M275 PolarHBondContact O-N 3.39Å; Y272-F276 PolarHBondContact O-N 3.41Å
273F90.8Very high91.3Very high104 Ų10467.6 Ų67.646%0.45633%0.327SS..Hα-helixtrans-66.1-42.4176.8179.2-109.8000111.2F270 L271 M275 F276 L277F270-F273 HydrophobicContact CD2-CB 4.46Å; F270-F273 HydrophobicContact CD2-CD1 4.2Å; F270-F273 AromaticContact CE2-CD1 3.55Å; F270-F273 HydrophobicContact CE2-CD1 3.55Å; F270-F273 HydrophobicContact CE2-CE1 4.17Å; F270-F273 HydrophobicContact CE2-CG 4.48Å; F270-F273 HydrophobicContact CZ-CD1 4.06Å; F270-F273 WeakPolarHBondContact O-CB 3.35Å; F270-F273 PolarHBondContact O-N 3.49Å; F270-F273 VanDerWaalsContact O-N 3.09Å; L271-F273 VanDerWaalsContact C-N 3.31Å; L271-F273 PolarHBondContact O-N 2.79Å; F273-M275 VanDerWaalsContact C-N 3.33Å; F273-M275 PolarHBondContact O-N 3.08Å; F273-F276 WeakPolarHBondContact O-CB 3.49Å; F273-F276 PolarHBondContact O-N 2.87Å; F273-L277 HydrophobicContact CD1-CD1 3.97Å; F273-L277 HydrophobicContact CD1-CG 4.22Å; F273-L277 HydrophobicContact CE1-CD1 3.39Å; F273-L277 HydrophobicContact CE1-CD2 4.32Å; F273-L277 HydrophobicContact CE1-CG 3.87Å; F273-L277 HydrophobicContact CE2-CD2 4.04Å; F273-L277 HydrophobicContact CE2-CG 4.19Å; F273-L277 HydrophobicContact CZ-CD1 3.73Å; F273-L277 HydrophobicContact CZ-CD2 3.8Å; F273-L277 HydrophobicContact CZ-CG 3.84Å; F273-L277 WeakPolarHBondContact O-CG 3.37Å; F273-L277 PolarHBondContact O-N 2.87Å
274M87.6Confident91.1Very high39 Ų3974.3 Ų74.319%0.19236%0.355CS..Hα-helixtrans-60.9-40.1175.7-69.8-66.9-69.400112.6F270 L271 L277 K278 I295F270-M274 HydrophobicContact CD1-CG 3.79Å; F270-M274 HydrophobicContact CD1-SD 4.43Å; F270-M274 HydrophobicContact CE1-CG 3.55Å; F270-M274 HydrophobicContact CE1-SD 3.59Å; F270-M274 VanDerWaalsContact CE1-SD 3.59Å; F270-M274 HydrophobicContact CZ-CG 4.18Å; F270-M274 HydrophobicContact CZ-SD 3.91Å; F270-M274 PolarHBondContact O-N 2.78Å; L271-M274 PolarHBondContact O-N 3.3Å; M274-L277 PolarHBondContact O-N 3.21Å; M274-K278 WeakPolarHBondContact O-CB 3.49Å; M274-K278 PolarHBondContact O-N 2.92Å; M274-I295 HydrophobicContact CE-CD1 4.45Å
275M91.1Very high90.8Very high34 Ų3473.1 Ų73.117%0.16736%0.356CS..Hα-helixtrans-68.1-40.2177.6-70.4-46.297.200111.4L181 V182 Y266 L271 Y272 F273 K278 S279L181-M275 HydrophobicContact CB-CG 4.49Å; L181-M275 HydrophobicContact CB-SD 3.62Å; L181-M275 HydrophobicContact CD1-CG 4.1Å; L181-M275 HydrophobicContact CD1-SD 4.27Å; L181-M275 HydrophobicContact CG-SD 4.5Å; V182-M275 HydrophobicContact CG1-CE 3.36Å; V182-M275 HydrophobicContact CG1-SD 3.92Å; Y266-M275 HydrophobicContact CE2-CG 4.36Å; L271-M275 WeakPolarHBondContact O-CG 3.29Å; L271-M275 PolarHBondContact O-N 2.93Å; Y272-M275 PolarHBondContact O-N 3.39Å; F273-M275 VanDerWaalsContact C-N 3.33Å; F273-M275 PolarHBondContact O-N 3.08Å; M275-K278 PolarHBondContact O-N 2.91Å; M275-K278 HydrophobicContact SD-CD 4.4Å; M275-S279 PolarHBondContact O-N 3.48Å; M275-S279 PolarHBondContact O-OG 3.03Å
276F90.9Very high90.3Very high129 Ų12974.5 Ų74.557%0.56637%0.366SS*.Hα-helixtrans-58.3-49.8171.5174.2-107.2000111.4Y272 F273 K278 S279 F280Y272-F276 PolarHBondContact O-N 3.41Å; F273-F276 WeakPolarHBondContact O-CB 3.49Å; F273-F276 PolarHBondContact O-N 2.87Å; F276-K278 PolarHBondContact O-N 2.96Å; F276-S279 WeakPolarHBondContact O-CB 3.36Å; F276-S279 PolarHBondContact O-N 3.44Å; F276-F280 AromaticContact CD1-CE1 3.62Å; F276-F280 HydrophobicContact CD1-CE1 3.62Å; F276-F280 HydrophobicContact CD1-CZ 4.34Å; F276-F280 HydrophobicContact CD2-CE1 4.45Å; F276-F280 HydrophobicContact CE1-CD1 4.38Å; F276-F280 AromaticContact CE1-CE1 3.39Å; F276-F280 HydrophobicContact CE1-CE1 3.39Å; F276-F280 AromaticContact CE1-CZ 3.92Å; F276-F280 HydrophobicContact CE1-CZ 3.92Å; F276-F280 HydrophobicContact CE2-CE1 4.27Å; F276-F280 HydrophobicContact CG-CE1 4.15Å; F276-F280 HydrophobicContact CZ-CD1 4.35Å; F276-F280 AromaticContact CZ-CE1 3.74Å; F276-F280 HydrophobicContact CZ-CE1 3.74Å; F276-F280 HydrophobicContact CZ-CZ 4.46Å; F276-F280 WeakPolarHBondContact O-CD1 3.45Å; F276-F280 WeakPolarHBondContact O-CE1 3.47Å
277L88.6Confident89.9Confident29 Ų2977.3 Ų77.315%0.15238%0.382CS..Hα-helixtrans-58.5-44.6177.1-71.8-168.7000112.7F273 M274 S279 F280 L281F273-L277 HydrophobicContact CD1-CD1 3.97Å; F273-L277 HydrophobicContact CD1-CG 4.22Å; F273-L277 HydrophobicContact CE1-CD1 3.39Å; F273-L277 HydrophobicContact CE1-CD2 4.32Å; F273-L277 HydrophobicContact CE1-CG 3.87Å; F273-L277 HydrophobicContact CE2-CD2 4.04Å; F273-L277 HydrophobicContact CE2-CG 4.19Å; F273-L277 HydrophobicContact CZ-CD1 3.73Å; F273-L277 HydrophobicContact CZ-CD2 3.8Å; F273-L277 HydrophobicContact CZ-CG 3.84Å; F273-L277 WeakPolarHBondContact O-CG 3.37Å; F273-L277 PolarHBondContact O-N 2.87Å; M274-L277 PolarHBondContact O-N 3.21Å; L277-S279 PolarHBondContact O-N 3.42Å; L277-F280 HydrophobicContact CD2-CE1 3.85Å; L277-F280 HydrophobicContact CD2-CE2 4.3Å; L277-F280 HydrophobicContact CD2-CZ 3.36Å; L277-F280 PolarHBondContact O-N 3.2Å; L277-L281 HydrophobicContact CB-CD1 3.88Å; L277-L281 HydrophobicContact CB-CG 4.35Å; L277-L281 HydrophobicContact CD1-CD1 4.18Å; L277-L281 HydrophobicContact CD2-CD1 4.24Å; L277-L281 HydrophobicContact CG-CD1 4.33Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 WeakPolarHBondContact O-CG 3.3Å; L277-L281 PolarHBondContact O-N 3.03Å
278K86.3Confident89.8Confident100 Ų10082.9 Ų82.944%0.43541%0.411SS..Hα-helixtrans-56.1-31.8178.6173.2175.9168.3173.70112.4L181 V182 M274 M275 F276 F280L181-K278 PolarHBondContact O-NZ 3.35Å; V182-K278 HydrophobicContact CG1-CD 3.84Å; M274-K278 WeakPolarHBondContact O-CB 3.49Å; M274-K278 PolarHBondContact O-N 2.92Å; M275-K278 PolarHBondContact O-N 2.91Å; M275-K278 HydrophobicContact SD-CD 4.4Å; F276-K278 PolarHBondContact O-N 2.96Å; K278-F280 VanDerWaalsContact C-N 3.32Å; K278-F280 PolarHBondContact O-N 3.34Å
279S88.8Confident89.5Confident107 Ų10784.5 Ų84.575%0.74842%0.418SS*.THydrogen-bonded Turntrans-71.8-19.3-177.3-62.30000114.7M275 F276 L277M275-S279 PolarHBondContact O-N 3.48Å; M275-S279 PolarHBondContact O-OG 3.03Å; F276-S279 WeakPolarHBondContact O-CB 3.36Å; F276-S279 PolarHBondContact O-N 3.44Å; L277-S279 PolarHBondContact O-N 3.42Å
280F88.8Confident89.2Confident114 Ų11476.5 Ų76.550%0.539%0.385SS..THydrogen-bonded Turntrans-133.7-18.6-17668.7-93.3000115F276 L277 K278F276-F280 AromaticContact CD1-CE1 3.62Å; F276-F280 HydrophobicContact CD1-CE1 3.62Å; F276-F280 HydrophobicContact CD1-CZ 4.34Å; F276-F280 HydrophobicContact CD2-CE1 4.45Å; F276-F280 HydrophobicContact CE1-CD1 4.38Å; F276-F280 AromaticContact CE1-CE1 3.39Å; F276-F280 HydrophobicContact CE1-CE1 3.39Å; F276-F280 AromaticContact CE1-CZ 3.92Å; F276-F280 HydrophobicContact CE1-CZ 3.92Å; F276-F280 HydrophobicContact CE2-CE1 4.27Å; F276-F280 HydrophobicContact CG-CE1 4.15Å; F276-F280 HydrophobicContact CZ-CD1 4.35Å; F276-F280 AromaticContact CZ-CE1 3.74Å; F276-F280 HydrophobicContact CZ-CE1 3.74Å; F276-F280 HydrophobicContact CZ-CZ 4.46Å; F276-F280 WeakPolarHBondContact O-CD1 3.45Å; F276-F280 WeakPolarHBondContact O-CE1 3.47Å; L277-F280 HydrophobicContact CD2-CE1 3.85Å; L277-F280 HydrophobicContact CD2-CE2 4.3Å; L277-F280 HydrophobicContact CD2-CZ 3.36Å; L277-F280 PolarHBondContact O-N 3.2Å; K278-F280 VanDerWaalsContact C-N 3.32Å; K278-F280 PolarHBondContact O-N 3.34Å
281L90.8Very high89.1Confident44 Ų4479.2 Ų79.223%0.2340%0.402CS..SBendtrans-71.6140.5177.4-71.7-176000111.3L277 T285 V286 I289L277-L281 HydrophobicContact CB-CD1 3.88Å; L277-L281 HydrophobicContact CB-CG 4.35Å; L277-L281 HydrophobicContact CD1-CD1 4.18Å; L277-L281 HydrophobicContact CD2-CD1 4.24Å; L277-L281 HydrophobicContact CG-CD1 4.33Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 WeakPolarHBondContact O-CG 3.3Å; L277-L281 PolarHBondContact O-N 3.03Å; L281-T285 HydrophobicContact CD1-CG2 4.3Å; L281-T285 HydrophobicContact CD2-CG2 4.45Å; L281-V286 HydrophobicContact CB-CG2 3.82Å; L281-I289 HydrophobicContact CD1-CD1 3.97Å
282P92.8Very high88.9Confident83 Ų8388 Ų8854%0.53944%0.436SS..  trans-58.1142.4169.9-23.233.7000111.4K284 T285 V286P282-K284 PolarHBondContact O-N 3.12Å; P282-K284 VanDerWaalsContact O-N 3.14Å; P282-T285 WeakPolarHBondContact O-CA 3.39Å; P282-T285 WeakPolarHBondContact O-CB 3.5Å; P282-T285 PolarHBondContact O-N 2.91Å; P282-V286 PolarHBondContact O-N 3.09Å; P282-V286 VanDerWaalsContact O-N 3.15Å
283L88.1Confident88.5Confident126 Ų12684.3 Ų84.366%0.6642%0.423SS*.Hα-helixtrans-51.3-42.7-179.1176.961.2000112.6T285 V286 L287L283-T285 VanDerWaalsContact C-N 3.28Å; L283-T285 PolarHBondContact O-N 3.14Å; L283-V286 WeakPolarHBondContact O-CB 3.24Å; L283-V286 PolarHBondContact O-N 3.26Å; L283-V286 VanDerWaalsContact O-N 3.12Å; L283-L287 HydrophobicContact CD1-CD1 4.46Å; L283-L287 HydrophobicContact CD1-CD2 4.45Å; L283-L287 HydrophobicContact CD1-CG 4.18Å; L283-L287 HydrophobicContact CG-CD1 4.19Å; L283-L287 HydrophobicContact CG-CG 4.34Å; L283-L287 WeakPolarHBondContact O-CG 3.44Å; L283-L287 PolarHBondContact O-N 3.41Å
284K91.3Very high88.1Confident172 Ų17282.3 Ų82.375%0.74842%0.417SS*.Hα-helixtrans-57.4-40.7177.8-67.3-175.2178.9-177.90112.5P282 L287 L288P282-K284 PolarHBondContact O-N 3.12Å; P282-K284 VanDerWaalsContact O-N 3.14Å; K284-L287 PolarHBondContact O-N 3.15Å; K284-L288 WeakPolarHBondContact O-CG 3.21Å; K284-L288 PolarHBondContact O-N 3.31Å
285T90.1Very high87.9Confident55 Ų5582.7 Ų82.734%0.33742%0.419SS..Hα-helixtrans-67.4-41.5177.3-53.70000111.1L281 P282 L283 L287 L288 I289L281-T285 HydrophobicContact CD1-CG2 4.3Å; L281-T285 HydrophobicContact CD2-CG2 4.45Å; P282-T285 WeakPolarHBondContact O-CA 3.39Å; P282-T285 WeakPolarHBondContact O-CB 3.5Å; P282-T285 PolarHBondContact O-N 2.91Å; L283-T285 VanDerWaalsContact C-N 3.28Å; L283-T285 PolarHBondContact O-N 3.14Å; T285-L287 VanDerWaalsContact C-N 3.32Å; T285-L287 PolarHBondContact O-N 2.9Å; T285-L288 PolarHBondContact O-N 2.76Å; T285-I289 HydrophobicContact CG2-CD1 4.13Å; T285-I289 WeakPolarHBondContact O-CG1 3.47Å; T285-I289 PolarHBondContact O-N 3.34Å
286V87.3Confident87.6Confident50 Ų5084.6 Ų84.630%0.30343%0.426SS..Hα-helixtrans-61.2-42.2175.5178.50000111.1L281 P282 L283 I289 G290L281-V286 HydrophobicContact CB-CG2 3.82Å; P282-V286 PolarHBondContact O-N 3.09Å; P282-V286 VanDerWaalsContact O-N 3.15Å; L283-V286 WeakPolarHBondContact O-CB 3.24Å; L283-V286 PolarHBondContact O-N 3.26Å; L283-V286 VanDerWaalsContact O-N 3.12Å; V286-I289 PolarHBondContact O-N 3.01Å; V286-G290 PolarHBondContact O-N 3.25Å
287L88.3Confident87.3Confident84 Ų8482.3 Ų82.344%0.4442%0.417SS..Hα-helixtrans-63.8-43.2176.6-66.2176.9000112.1L283 K284 T285 I289 G290 D291 F296L283-L287 HydrophobicContact CD1-CD1 4.46Å; L283-L287 HydrophobicContact CD1-CD2 4.45Å; L283-L287 HydrophobicContact CD1-CG 4.18Å; L283-L287 HydrophobicContact CG-CD1 4.19Å; L283-L287 HydrophobicContact CG-CG 4.34Å; L283-L287 WeakPolarHBondContact O-CG 3.44Å; L283-L287 PolarHBondContact O-N 3.41Å; K284-L287 PolarHBondContact O-N 3.15Å; T285-L287 VanDerWaalsContact C-N 3.32Å; T285-L287 PolarHBondContact O-N 2.9Å; L287-I289 PolarHBondContact O-N 3.49Å; L287-G290 PolarHBondContact O-N 3.24Å; L287-D291 WeakPolarHBondContact O-CB 3.43Å; L287-D291 PolarHBondContact O-N 3.3Å; L287-F296 HydrophobicContact CD2-CE1 4.47Å; L287-F296 HydrophobicContact CD2-CE2 4.42Å; L287-F296 HydrophobicContact CD2-CZ 3.75Å; L287-F296 WeakPolarHBondContact O-CE2 3.1Å
288L89.2Confident87Confident123 Ų12381.2 Ų81.264%0.64441%0.413SS*.Hα-helixtrans-61.9-41176-72170.6000112.5K284 T285 Y292K284-L288 WeakPolarHBondContact O-CG 3.21Å; K284-L288 PolarHBondContact O-N 3.31Å; T285-L288 PolarHBondContact O-N 2.76Å; L288-Y292 WeakPolarHBondContact O-CB 3.2Å; L288-Y292 PolarHBondContact O-N 2.9Å
289I86.3Confident87Confident54 Ų5477.2 Ų77.228%0.27740%0.396SS..Hα-helixtrans-65.1-42.9174.9-67.2166.3000110.3L281 T285 V286 L287 D291 Y292 L293L281-I289 HydrophobicContact CD1-CD1 3.97Å; T285-I289 HydrophobicContact CG2-CD1 4.13Å; T285-I289 WeakPolarHBondContact O-CG1 3.47Å; T285-I289 PolarHBondContact O-N 3.34Å; V286-I289 PolarHBondContact O-N 3.01Å; L287-I289 PolarHBondContact O-N 3.49Å; I289-D291 VanDerWaalsContact C-N 3.35Å; I289-D291 PolarHBondContact O-N 3.42Å; I289-Y292 PolarHBondContact O-N 2.79Å; I289-L293 HydrophobicContact CG2-CD1 3.67Å; I289-L293 HydrophobicContact CG2-CG 4.25Å; I289-L293 WeakPolarHBondContact O-CB 3.22Å; I289-L293 VanDerWaalsContact O-CG 3.28Å; I289-L293 WeakPolarHBondContact O-CG 3.25Å; I289-L293 PolarHBondContact O-N 3.13Å
290G85.4Confident86.8Confident6 Ų677.3 Ų77.36%0.06239%0.388CS..Hα-helixtrans-61-42.3178.700000112.9V286 L287 D294 I295V286-G290 PolarHBondContact O-N 3.25Å; L287-G290 PolarHBondContact O-N 3.24Å; G290-D294 PolarHBondContact O-N 3.33Å; G290-D294 VanDerWaalsContact O-N 3.14Å; G290-I295 PolarHBondContact O-N 3.19Å
291D86.8Confident86.4Confident106 Ų10673.5 Ų73.557%0.56738%0.381SS*.Hα-helixtrans-66.4-47.5176-168.561000111.3L287 I289 L293 D294 F296L287-D291 WeakPolarHBondContact O-CB 3.43Å; L287-D291 PolarHBondContact O-N 3.3Å; I289-D291 VanDerWaalsContact C-N 3.35Å; I289-D291 PolarHBondContact O-N 3.42Å; D291-L293 VanDerWaalsContact C-N 3.28Å; D291-L293 PolarHBondContact O-N 3.19Å; D291-D294 PolarHBondContact O-N 2.86Å; D291-F296 HydrophobicContact CB-CE2 4.42Å
292Y85.6Confident86Confident196 Ų19673 Ų7377%0.76938%0.376SS*.Hα-helixtrans-60.4-35.6177.3178.1-98.4000113.5L288 I289 D294L288-Y292 WeakPolarHBondContact O-CB 3.2Å; L288-Y292 PolarHBondContact O-N 2.9Å; I289-Y292 PolarHBondContact O-N 2.79Å; Y292-D294 VanDerWaalsContact C-N 3.33Å
293L84Confident85.3Confident16 Ų1673.8 Ų73.88%0.08438%0.376CS..THydrogen-bonded Turntrans-89.63.6178.3-62.6178000113.1C238 L241 I289 D291 I295C238-L293 HydrophobicContact CB-CD2 4.19Å; C238-L293 WeakPolarHBondContact SG-CD2 3.48Å; L241-L293 HydrophobicContact CD1-CD2 4.44Å; I289-L293 HydrophobicContact CG2-CD1 3.67Å; I289-L293 HydrophobicContact CG2-CG 4.25Å; I289-L293 WeakPolarHBondContact O-CB 3.22Å; I289-L293 VanDerWaalsContact O-CG 3.28Å; I289-L293 WeakPolarHBondContact O-CG 3.25Å; I289-L293 PolarHBondContact O-N 3.13Å; D291-L293 VanDerWaalsContact C-N 3.28Å; D291-L293 PolarHBondContact O-N 3.19Å; L293-I295 HydrophobicContact CB-CD1 3.83Å; L293-I295 HydrophobicContact CB-CG1 3.76Å; L293-I295 HydrophobicContact CD1-CD1 3.92Å; L293-I295 PolarHBondContact O-N 2.95Å
294D83Confident84.5Confident62 Ų6273.3 Ų73.333%0.33237%0.37SS..THydrogen-bonded Turntrans53.931.8-177.7-154.627.3000114.3A237 G290 D291 Y292 F296 H297A237-D294 HydrophobicContact CB-CB 3.31Å; G290-D294 PolarHBondContact O-N 3.33Å; G290-D294 VanDerWaalsContact O-N 3.14Å; D291-D294 PolarHBondContact O-N 2.86Å; Y292-D294 VanDerWaalsContact C-N 3.33Å; D294-F296 VanDerWaalsContact C-N 3.27Å; D294-F296 PolarHBondContact O-N 3.08Å; D294-H297 PolarHBondContact O-N 2.88Å; D294-H297 WeakPolarHBondContact OD1-CB 3.05Å; D294-H297 IonicContact OD1-CD2 3.52Å; D294-H297 PolarHBondContact OD1-CD2 3.46Å; D294-H297 IonicContact OD1-CG 2.66Å
295I83.3Confident83.2Confident46 Ų4673.1 Ų73.124%0.23637%0.365CS..G310 helixtrans-69.6-29.5-174.9-66.4173.5000110.9L242 M274 G290 L293 H297L242-I295 HydrophobicContact CD1-CD1 3.8Å; L242-I295 HydrophobicContact CD1-CG1 4.03Å; M274-I295 HydrophobicContact CE-CD1 4.45Å; G290-I295 PolarHBondContact O-N 3.19Å; L293-I295 HydrophobicContact CB-CD1 3.83Å; L293-I295 HydrophobicContact CB-CG1 3.76Å; L293-I295 HydrophobicContact CD1-CD1 3.92Å; L293-I295 PolarHBondContact O-N 2.95Å; I295-H297 VanDerWaalsContact C-N 3.28Å; I295-H297 PolarHBondContact O-N 3.29Å
296F84.8Confident81.2Confident74 Ų7479.8 Ų79.833%0.32539%0.389SS..G310 helixtrans-74.3-16.7-176.6-58.3-51.7000114.2N185 L287 D291 D294N185-F296 WeakPolarHBondContact CB-O 3.45Å; N185-F296 PolarHBondContact ND2-O 3.28Å; N185-F296 VanDerWaalsContact ND2-O 3.09Å; L287-F296 HydrophobicContact CD2-CE1 4.47Å; L287-F296 HydrophobicContact CD2-CE2 4.42Å; L287-F296 HydrophobicContact CD2-CZ 3.75Å; L287-F296 WeakPolarHBondContact O-CE2 3.1Å; D291-F296 HydrophobicContact CB-CE2 4.42Å; D294-F296 VanDerWaalsContact C-N 3.27Å; D294-F296 PolarHBondContact O-N 3.08Å
297H84.3Confident79.1Confident82 Ų8286.3 Ų86.338%0.3841%0.413SS..G310 helixtrans-105.94.9-179.4-66.3-71.9000113.4D294 I295 M299 D300D294-H297 PolarHBondContact O-N 2.88Å; D294-H297 WeakPolarHBondContact OD1-CB 3.05Å; D294-H297 IonicContact OD1-CD2 3.52Å; D294-H297 PolarHBondContact OD1-CD2 3.46Å; D294-H297 IonicContact OD1-CG 2.66Å; I295-H297 VanDerWaalsContact C-N 3.28Å; I295-H297 PolarHBondContact O-N 3.29Å; H297-M299 PolarHBondContact O-N 3.07Å; H297-D300 IonicContact CE1-OD2 3.85Å; H297-D300 IonicContact CG-OD2 3.87Å; H297-D300 IonicContact ND1-OD1 3.17Å; H297-D300 IonicContact ND1-OD2 2.97Å; H297-D300 PolarHBondContact ND1-OD2 2.66Å; H297-D300 WeakPolarHBondContact O-CB 3.37Å; H297-D300 PolarHBondContact O-N 3.47Å
298A82.4Confident76.3Confident6 Ų692.2 Ų92.25%0.0544%0.435CS..THydrogen-bonded Turntrans-60-20.1-176.700000114.3F225 C234 T235F225-A298 HydrophobicContact CE2-CB 3.8Å; F225-A298 HydrophobicContact CZ-CB 4.32Å; C234-A298 WeakPolarHBondContact CA-O 3.42Å; T235-A298 PolarHBondContact N-O 3.47Å; T235-A298 VanDerWaalsContact N-O 3.09Å; T235-A298 WeakPolarHBondContact O-CB 3.43Å
299M86.4Confident73.5Confident16 Ų1697.8 Ų97.88%0.07946%0.464CS..THydrogen-bonded Turntrans-99.2-5.2179.2-67.9-60.6-60.600114.1V184 L187 F225 H297 G301 F302V184-M299 HydrophobicContact CG1-CG 4.24Å; L187-M299 HydrophobicContact CD1-CE 4.1Å; L187-M299 HydrophobicContact CD1-CG 4.04Å; L187-M299 HydrophobicContact CD1-SD 3.8Å; L187-M299 HydrophobicContact CD2-CE 3.76Å; L187-M299 HydrophobicContact CG-CE 3.99Å; L187-M299 HydrophobicContact CG-CG 4.14Å; L187-M299 HydrophobicContact CG-SD 4.24Å; F225-M299 HydrophobicContact CE1-SD 3.73Å; F225-M299 HydrophobicContact CZ-CG 4.41Å; F225-M299 HydrophobicContact CZ-SD 3.68Å; H297-M299 PolarHBondContact O-N 3.07Å; M299-G301 PolarHBondContact O-N 2.96Å; M299-F302 HydrophobicContact CE-CB 3.71Å; M299-F302 HydrophobicContact CE-CD1 4.18Å; M299-F302 HydrophobicContact CE-CD2 3.7Å; M299-F302 HydrophobicContact CE-CE2 4.39Å; M299-F302 HydrophobicContact CE-CG 3.58Å; M299-F302 WeakPolarHBondContact O-CB 3.45Å; M299-F302 PolarHBondContact O-N 3.04Å
300D84.6Confident72.8Confident109 Ų109100 Ų10058%0.58347%0.474SS*.THydrogen-bonded Turntrans-64-28.5-172.6-71.410.2000112.8H297H297-D300 IonicContact CE1-OD2 3.85Å; H297-D300 IonicContact CG-OD2 3.87Å; H297-D300 IonicContact ND1-OD1 3.17Å; H297-D300 IonicContact ND1-OD2 2.97Å; H297-D300 PolarHBondContact ND1-OD2 2.66Å; H297-D300 WeakPolarHBondContact O-CB 3.37Å; H297-D300 PolarHBondContact O-N 3.47Å
301G78.9Confident72.2Confident34 Ų34104.9 Ų104.935%0.35150%0.496SS..THydrogen-bonded Turntrans-90.72.9175.900000115G233 M299 L303G233-G301 CarbonylContact C-O 3.32Å; G233-G301 VanDerWaalsContact CA-O 3.29Å; G233-G301 WeakPolarHBondContact CA-O 3.29Å; G233-G301 CarbonylContact O-C 3.36Å; G233-G301 VanDerWaalsContact O-C 3.25Å; G233-G301 WeakPolarHBondContact O-CA 3.22Å; M299-G301 PolarHBondContact O-N 2.96Å; G301-L303 PolarHBondContact O-N 2.99Å
302F83.7Confident71.4Confident32 Ų32104.8 Ų104.814%0.1449%0.492CS..  trans-59.2130.2-174174.7-105.6000112.4V129 M230 M299 E304V129-F302 HydrophobicContact CG1-CE2 4.18Å; V129-F302 HydrophobicContact CG1-CZ 3.9Å; M230-F302 VanDerWaalsContact O-CE2 3.29Å; M230-F302 WeakPolarHBondContact O-CE2 3.4Å; M299-F302 HydrophobicContact CE-CB 3.71Å; M299-F302 HydrophobicContact CE-CD1 4.18Å; M299-F302 HydrophobicContact CE-CD2 3.7Å; M299-F302 HydrophobicContact CE-CE2 4.39Å; M299-F302 HydrophobicContact CE-CG 3.58Å; M299-F302 WeakPolarHBondContact O-CB 3.45Å; M299-F302 PolarHBondContact O-N 3.04Å; F302-E304 HydrophobicContact CE1-CB 4.47Å
303L77.9Confident70.5Confident100 Ų10099.5 Ų99.552%0.52448%0.475SS..  trans-100.9112.9177.7-61.4179.7000110.3E232 G301 R305E232-L303 HydrophobicContact CG-CD1 4.35Å; E232-L303 PolarHBondContact O-N 3.04Å; G301-L303 PolarHBondContact O-N 2.99Å; L303-R305 PolarHBondContact O-N 3.45Å
304E71.3Confident69.7Low117 Ų117104.7 Ų104.755%0.54750%0.5SS..  trans-60.6125.4173.2-171175.8-17800109.5K132 F302 K306K132-E304 IonicContact NZ-OE1 3.89Å; K132-E304 IonicContact NZ-OE2 3.54Å; F302-E304 HydrophobicContact CE1-CB 4.47Å; E304-K306 PolarHBondContact O-N 3.28Å
305R63.5Low68.8Low168 Ų168107.5 Ų107.563%0.63451%0.511SS*.  trans-68.696-178.6-154.4179.4-167.1-163.33.1109.2L303 K307L303-R305 PolarHBondContact O-N 3.45Å; R305-K307 PolarHBondContact O-N 3.19Å
306K48.3Very low67.8Low194 Ų194111.9 Ų111.984%0.84353%0.531SS*.  trans-59.1122.7168.5-73.7-175.7179.31790107.8E304 K308E304-K306 PolarHBondContact O-N 3.28Å; K306-K308 PolarHBondContact O-N 3.02Å
307K42.3Very low66.5Low188 Ų188114.8 Ų114.882%0.81755%0.546SS*.  trans-51.2116.3167.8-81.6-177.3173.9-177.60106.9R305 L309R305-K307 PolarHBondContact O-N 3.19Å; K307-L309 PolarHBondContact O-N 3.21Å
308K30.8Very low65Low207 Ų207117.6 Ų117.690%0.956%0.56SS**  trans-61.3110.8155.7-79.8-174.7175-178.40104.4K306K306-K308 PolarHBondContact O-N 3.02Å
309L29.8Very low63.4Low240 Ų240127.7 Ų127.7100%1.25761%0.607SS**  trans-56.80170.4-75.6164.1000109.7K307K307-L309 PolarHBondContact O-N 3.21Å

Retrieved 309 of 309 residues in 1527.3 ms (Link to these results)

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