A0A096NQC3_PAPAN Loading...

T-box transcription factor T

AlphaFold DB , UniProt , Accession A0A096NQC3, Species PAPAN (Papio anubis, Olive baboon), Gene TBXT, Length 435 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
1M36.2Very low42.1Very low249 Ų249117.5 Ų117.5100%1.22774%0.743SS**  0130.90-73.8168.9159.200107.9
2S35.4Very low42.2Very low116 Ų116112.9 Ų112.981%0.81172%0.718SS**  trans-109.9123.9-178.8340000109.9P4S2-P4 WeakPolarHBondContact O-CD 3.21Å
3S33.7Very low42.5Very low122 Ų122113.3 Ų113.385%0.85371%0.71SS**  trans-76.2123.3-175.9-53.90000111.9
4P44.7Very low42.8Very low133 Ų133110.4 Ų110.486%0.86468%0.684SS**  trans-86.6110.1173.132.5-29.9000110.2S2S2-P4 WeakPolarHBondContact O-CD 3.21Å
5G48.4Very low42.9Very low64 Ų64115.2 Ų115.266%0.6669%0.686SS**  trans-172.895.3179.600000115.9
6T45.3Very low43.7Very low135 Ų135119.4 Ų119.483%0.82869%0.686SS**SBendtrans-179.5-37141.719.10000112.2S8T6-S8 VanDerWaalsContact C-N 3.3Å; T6-S8 PolarHBondContact O-N 3.41Å; T6-S8 VanDerWaalsContact O-N 3.17Å
7E44Very low44.5Very low137 Ų137115.2 Ų115.264%0.6466%0.663SS**Hα-helixtrans-60.8-29.3-171-66.3-159.3136.200116.1A9 K11E7-A9 VanDerWaalsContact C-N 3.35Å; E7-A9 PolarHBondContact O-N 3.35Å; E7-K11 HydrophobicContact CB-CD 4.47Å; E7-K11 PolarHBondContact O-N 3.07Å; E7-K11 IonicContact OE1-NZ 3.13Å; E7-K11 IonicContact OE2-NZ 2.77Å; E7-K11 PolarHBondContact OE2-NZ 2.63Å
8S43.3Very low44.8Very low93 Ų93112.5 Ų112.565%0.6565%0.646SS**Hα-helixtrans-63.8-36.5-169.2-172.70000113.4T6 G10 K11 S12T6-S8 VanDerWaalsContact C-N 3.3Å; T6-S8 PolarHBondContact O-N 3.41Å; T6-S8 VanDerWaalsContact O-N 3.17Å; S8-G10 PolarHBondContact O-N 3.07Å; S8-K11 PolarHBondContact O-N 2.71Å; S8-S12 WeakPolarHBondContact O-CB 3.47Å; S8-S12 PolarHBondContact O-N 2.85Å
9A44.2Very low45.4Very low75 Ų75113.6 Ų113.662%0.6264%0.644SS**Hα-helixtrans-64.6-42.1-175.900000112.6E7 L13E7-A9 VanDerWaalsContact C-N 3.35Å; E7-A9 PolarHBondContact O-N 3.35Å; A9-L13 PolarHBondContact O-N 3.45Å
10G44.6Very low46Very low49 Ų49113.5 Ų113.551%0.50564%0.641SS.*Hα-helixtrans-65.3-45.8176.200000111.9S8 S12 L13 Q14S8-G10 PolarHBondContact O-N 3.07Å; G10-S12 VanDerWaalsContact C-N 3.32Å; G10-S12 PolarHBondContact O-N 3.12Å; G10-L13 PolarHBondContact O-N 3.24Å; G10-Q14 WeakPolarHBondContact O-CB 3.49Å; G10-Q14 PolarHBondContact O-N 3.11Å
11K42.8Very low46.6Very low119 Ų119110.3 Ų110.352%0.51762%0.622SS.*Hα-helixtrans-61.6-37.6179.3-67.5172.1179.21770112.3E7 S8 Y15E7-K11 HydrophobicContact CB-CD 4.47Å; E7-K11 PolarHBondContact O-N 3.07Å; E7-K11 IonicContact OE1-NZ 3.13Å; E7-K11 IonicContact OE2-NZ 2.77Å; E7-K11 PolarHBondContact OE2-NZ 2.63Å; S8-K11 PolarHBondContact O-N 2.71Å; K11-Y15 WeakPolarHBondContact O-CB 3.44Å; K11-Y15 PolarHBondContact O-N 3.45Å
12S43.4Very low47.7Very low63 Ų63101.8 Ų101.844%0.44159%0.587SS.*Hα-helixtrans-67.3-40.2175.4-176.80000113.2S8 G10 R16S8-S12 WeakPolarHBondContact O-CB 3.47Å; S8-S12 PolarHBondContact O-N 2.85Å; G10-S12 VanDerWaalsContact C-N 3.32Å; G10-S12 PolarHBondContact O-N 3.12Å; S12-R16 PolarHBondContact O-N 3.12Å
13L46.8Very low48.7Very low118 Ų11897.8 Ų97.862%0.61856%0.561SS**Hα-helixtrans-72.5-39.2178.7-144.3161.8000111.2A9 G10 R16 V17A9-L13 PolarHBondContact O-N 3.45Å; G10-L13 PolarHBondContact O-N 3.24Å; L13-R16 PolarHBondContact O-N 2.82Å; L13-V17 HydrophobicContact CD2-CG2 4.37Å; L13-V17 PolarHBondContact O-N 3.14Å; L13-V17 VanDerWaalsContact O-N 3.17Å
14Q47Very low49.8Very low72 Ų7294 Ų9434%0.33653%0.533SS..Hα-helixtrans-54.4-55.9170-166.268.363.900110.7G10 R16 V17 D18G10-Q14 WeakPolarHBondContact O-CB 3.49Å; G10-Q14 PolarHBondContact O-N 3.11Å; Q14-R16 PolarHBondContact O-N 2.91Å; Q14-R16 VanDerWaalsContact O-N 3.15Å; Q14-V17 PolarHBondContact O-N 3.18Å; Q14-D18 WeakPolarHBondContact CG-OD2 3.46Å; Q14-D18 PolarHBondContact NE2-OD1 2.7Å; Q14-D18 VanDerWaalsContact O-CG 3.24Å; Q14-D18 PolarHBondContact O-N 3.38Å
15Y43.6Very low50.3Low183 Ų18394.3 Ų94.372%0.71852%0.523SS*.Hα-helixtrans-55.2-35.1177.9-113.8-98.7000113.9K11 H19K11-Y15 WeakPolarHBondContact O-CB 3.44Å; K11-Y15 PolarHBondContact O-N 3.45Å; Y15-H19 WeakPolarHBondContact O-CB 3.17Å; Y15-H19 PolarHBondContact O-N 3.36Å
16R55.5Low50.7Low183 Ų18395.2 Ų95.269%0.69152%0.519SS*.Hα-helixtrans-69.2-37.8175.1-75.3-176.1-177.5-169.41112.7S12 L13 Q14 L20S12-R16 PolarHBondContact O-N 3.12Å; L13-R16 PolarHBondContact O-N 2.82Å; Q14-R16 PolarHBondContact O-N 2.91Å; Q14-R16 VanDerWaalsContact O-N 3.15Å; R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.26Å; R16-L20 WeakPolarHBondContact O-CD1 3.35Å; R16-L20 WeakPolarHBondContact O-CG 3.34Å; R16-L20 PolarHBondContact O-N 3.04Å
17V56.9Low51.4Low48 Ų4891.8 Ų91.829%0.29149%0.494SS..Hα-helixtrans-71.6-44.4176.8176.70000110.1L13 Q14 H19 L20 L21L13-V17 HydrophobicContact CD2-CG2 4.37Å; L13-V17 PolarHBondContact O-N 3.14Å; L13-V17 VanDerWaalsContact O-N 3.17Å; Q14-V17 PolarHBondContact O-N 3.18Å; V17-H19 PolarHBondContact O-N 3.14Å; V17-L20 CarbonylContact O-C 3.52Å; V17-L20 WeakPolarHBondContact O-CB 3.2Å; V17-L20 PolarHBondContact O-N 3Å; V17-L20 VanDerWaalsContact O-N 3.12Å; V17-L21 HydrophobicContact CG1-CD1 4.13Å; V17-L21 HydrophobicContact CG1-CG 4.45Å; V17-L21 WeakPolarHBondContact O-CG 3.3Å; V17-L21 PolarHBondContact O-N 2.56Å
18D50.8Low51.8Low66 Ų6688 Ų8835%0.35348%0.477SS..Hα-helixtrans-64.7-39.6178.8-52.9-30.6000111.3Q14 L21 S22Q14-D18 WeakPolarHBondContact CG-OD2 3.46Å; Q14-D18 PolarHBondContact NE2-OD1 2.7Å; Q14-D18 VanDerWaalsContact O-CG 3.24Å; Q14-D18 PolarHBondContact O-N 3.38Å; D18-L21 PolarHBondContact O-N 3.39Å; D18-S22 WeakPolarHBondContact O-CB 3.47Å; D18-S22 PolarHBondContact O-N 2.89Å
19H56.4Low52.2Low134 Ų13489.8 Ų89.862%0.6248%0.475SS*.Hα-helixtrans-69.6-32.8172.4-172.3-47.4000112.5Y15 V17 A23Y15-H19 WeakPolarHBondContact O-CB 3.17Å; Y15-H19 PolarHBondContact O-N 3.36Å; V17-H19 PolarHBondContact O-N 3.14Å; H19-A23 WeakPolarHBondContact O-CB 3.19Å; H19-A23 PolarHBondContact O-N 3.03Å
20L57.4Low52.4Low110 Ų11089.4 Ų89.458%0.57647%0.472SS*.Hα-helixtrans-66.1-44171.4-81.6166.8000110.7R16 V17 A23 V24R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.26Å; R16-L20 WeakPolarHBondContact O-CD1 3.35Å; R16-L20 WeakPolarHBondContact O-CG 3.34Å; R16-L20 PolarHBondContact O-N 3.04Å; V17-L20 CarbonylContact O-C 3.52Å; V17-L20 WeakPolarHBondContact O-CB 3.2Å; V17-L20 PolarHBondContact O-N 3Å; V17-L20 VanDerWaalsContact O-N 3.12Å; L20-A23 PolarHBondContact O-N 2.92Å; L20-V24 VanDerWaalsContact O-CB 3.22Å; L20-V24 WeakPolarHBondContact O-CB 3.44Å; L20-V24 WeakPolarHBondContact O-CG2 3.31Å; L20-V24 PolarHBondContact O-N 3.48Å
21L58.3Low52.6Low47 Ų4787.9 Ų87.925%0.24646%0.456CS..Hα-helixtrans-63-44.4176.4-71.8171.7000111.9V17 D18 V24 E25 V123V17-L21 HydrophobicContact CG1-CD1 4.13Å; V17-L21 HydrophobicContact CG1-CG 4.45Å; V17-L21 WeakPolarHBondContact O-CG 3.3Å; V17-L21 PolarHBondContact O-N 2.56Å; D18-L21 PolarHBondContact O-N 3.39Å; L21-V24 CarbonylContact O-C 3.5Å; L21-V24 WeakPolarHBondContact O-CB 3.46Å; L21-V24 PolarHBondContact O-N 2.96Å; L21-E25 VanDerWaalsContact O-CB 3.31Å; L21-E25 WeakPolarHBondContact O-CB 3.31Å; L21-E25 PolarHBondContact O-N 3.4Å; L21-V123 HydrophobicContact CD2-CG2 3.92Å
22S58.4Low53Low71 Ų7187.1 Ų87.150%0.49747%0.466SS..Hα-helixtrans-68.5-35.8177.2-178.10000113D18 E25 S26D18-S22 WeakPolarHBondContact O-CB 3.47Å; D18-S22 PolarHBondContact O-N 2.89Å; S22-E25 PolarHBondContact O-N 2.97Å; S22-S26 WeakPolarHBondContact O-CB 3.44Å; S22-S26 PolarHBondContact O-N 2.89Å
23A57.8Low53.1Low31 Ų3192 Ų9226%0.25648%0.482SS..Hα-helixtrans-67.5-40.8171.300000111.7H19 L20 E25 S26 E27H19-A23 WeakPolarHBondContact O-CB 3.19Å; H19-A23 PolarHBondContact O-N 3.03Å; L20-A23 PolarHBondContact O-N 2.92Å; A23-E25 VanDerWaalsContact C-N 3.34Å; A23-E25 PolarHBondContact O-N 3.08Å; A23-S26 PolarHBondContact O-N 3.5Å; A23-E27 WeakPolarHBondContact O-CB 3.29Å; A23-E27 WeakPolarHBondContact O-CG 3.36Å; A23-E27 PolarHBondContact O-N 3.45Å
24V55.4Low53.2Low44 Ų4493.9 Ų93.927%0.26749%0.485SS..Hα-helixtrans-59.4-42.8172.7156.60000111.2L20 L21 L28 I182L20-V24 VanDerWaalsContact O-CB 3.22Å; L20-V24 WeakPolarHBondContact O-CB 3.44Å; L20-V24 WeakPolarHBondContact O-CG2 3.31Å; L20-V24 PolarHBondContact O-N 3.48Å; L21-V24 CarbonylContact O-C 3.5Å; L21-V24 WeakPolarHBondContact O-CB 3.46Å; L21-V24 PolarHBondContact O-N 2.96Å; V24-L28 HydrophobicContact CG1-CD1 3.93Å; V24-L28 VanDerWaalsContact O-CB 3.31Å; V24-L28 WeakPolarHBondContact O-CB 3.37Å; V24-L28 WeakPolarHBondContact O-CD1 3.21Å; V24-L28 PolarHBondContact O-N 2.82Å; V24-I182 HydrophobicContact CB-CD1 3.92Å; V24-I182 HydrophobicContact CG1-CD1 3.7Å; V24-I182 HydrophobicContact CG1-CG2 4.28Å; V24-I182 HydrophobicContact CG2-CD1 3.69Å
25E56.4Low53.3Low139 Ų13992.1 Ų92.165%0.6549%0.486SS*.Hα-helixtrans-68.1-40.5178.7-171.9167.5-130.400112.2L21 S22 A23 L28 Q29L21-E25 VanDerWaalsContact O-CB 3.31Å; L21-E25 WeakPolarHBondContact O-CB 3.31Å; L21-E25 PolarHBondContact O-N 3.4Å; S22-E25 PolarHBondContact O-N 2.97Å; A23-E25 VanDerWaalsContact C-N 3.34Å; A23-E25 PolarHBondContact O-N 3.08Å; E25-L28 WeakPolarHBondContact O-CB 3.49Å; E25-L28 PolarHBondContact O-N 3.41Å; E25-Q29 PolarHBondContact O-N 2.95Å; E25-Q29 VanDerWaalsContact O-N 3.14Å
26S57.3Low53.7Low83 Ų8385.3 Ų85.358%0.5846%0.462SS*.Hα-helixtrans-66.6-42.9174-169.60000112.5S22 A23 L28 Q29 A30S22-S26 WeakPolarHBondContact O-CB 3.44Å; S22-S26 PolarHBondContact O-N 2.89Å; A23-S26 PolarHBondContact O-N 3.5Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-Q29 PolarHBondContact O-N 3.32Å; S26-A30 PolarHBondContact O-N 2.81Å
27E58.3Low53.6Low63 Ų6381.4 Ų81.429%0.29446%0.461SS..Hα-helixtrans-70.9-26.6173-67.7-168.410700112.4A23 G31 R180A23-E27 WeakPolarHBondContact O-CB 3.29Å; A23-E27 WeakPolarHBondContact O-CG 3.36Å; A23-E27 PolarHBondContact O-N 3.45Å; E27-G31 WeakPolarHBondContact O-CA 3Å; E27-G31 PolarHBondContact O-N 2.83Å; E27-R180 WeakPolarHBondContact OE1-CD 3.32Å; E27-R180 WeakPolarHBondContact OE2-CD 3.34Å; E27-R180 IonicContact OE2-CZ 2.87Å; E27-R180 IonicContact OE2-NE 3.39Å; E27-R180 IonicContact OE2-NH1 3.39Å; E27-R180 PolarHBondContact OE2-NH1 2.82Å
28L54.3Low53.4Low56 Ų5683.7 Ų83.729%0.29348%0.475SS..Hα-helixtrans-59.3-51.7170.6-125.1110.9000110.8V24 E25 S26 G31 S32 I182V24-L28 HydrophobicContact CG1-CD1 3.93Å; V24-L28 VanDerWaalsContact O-CB 3.31Å; V24-L28 WeakPolarHBondContact O-CB 3.37Å; V24-L28 WeakPolarHBondContact O-CD1 3.21Å; V24-L28 PolarHBondContact O-N 2.82Å; E25-L28 WeakPolarHBondContact O-CB 3.49Å; E25-L28 PolarHBondContact O-N 3.41Å; S26-L28 VanDerWaalsContact C-N 3.34Å; L28-G31 PolarHBondContact O-N 2.03Å; L28-S32 WeakPolarHBondContact O-CB 3.38Å; L28-S32 PolarHBondContact O-N 2.86Å; L28-I182 HydrophobicContact CD1-CB 3.82Å; L28-I182 HydrophobicContact CD1-CG2 3.51Å; L28-I182 HydrophobicContact CG-CB 4.34Å; L28-I182 HydrophobicContact CG-CG2 4.43Å
29Q50.8Low53.8Low132 Ų13281 Ų8162%0.61746%0.46SS*.Hα-helixtrans-64.5-45-177.6-165.766.135.600110.9E25 S26E25-Q29 PolarHBondContact O-N 2.95Å; E25-Q29 VanDerWaalsContact O-N 3.14Å; S26-Q29 PolarHBondContact O-N 3.32Å
30A49.3Very low54.1Low66 Ų6684.7 Ų84.755%0.54547%0.469SS..Hα-helixtrans-69.9-31.3177.700000113.6S26S26-A30 PolarHBondContact O-N 2.81Å
31G48.4Very low55.2Low17 Ų1785.1 Ų85.118%0.17547%0.467CS..Hα-helixtrans-72.1-36.6176.400000112.9E27 L28 E33 K34 G35E27-G31 WeakPolarHBondContact O-CA 3Å; E27-G31 PolarHBondContact O-N 2.83Å; L28-G31 PolarHBondContact O-N 2.03Å; G31-E33 VanDerWaalsContact C-N 3.31Å; G31-E33 PolarHBondContact O-N 2.88Å; G31-K34 CarbonylContact O-C 3.55Å; G31-K34 PolarHBondContact O-N 2.92Å; G31-K34 VanDerWaalsContact O-N 3.12Å; G31-G35 PolarHBondContact O-N 2.99Å; G31-G35 VanDerWaalsContact O-N 3.07Å
32S49.8Very low56.7Low103 Ų10384.1 Ų84.172%0.7246%0.462SS*.Hα-helixtrans-59.2-38.5-179.9-171.40000112.9L28 K34L28-S32 WeakPolarHBondContact O-CB 3.38Å; L28-S32 PolarHBondContact O-N 2.86Å; S32-K34 VanDerWaalsContact C-N 3.3Å; S32-K34 PolarHBondContact O-N 2.79Å
33E46.9Very low58.4Low165 Ų16588.1 Ų88.177%0.77147%0.466SS*.THydrogen-bonded Turntrans-77.4-11.3179.6-62.2-173.816900114.1G31G31-E33 VanDerWaalsContact C-N 3.31Å; G31-E33 PolarHBondContact O-N 2.88Å
34K48Very low60.3Low158 Ų15887.6 Ų87.669%0.68746%0.46SS*.SBendtrans-144.224.8-164.7-123.9178-172.5177.10115.3G31 S32 Q179G31-K34 CarbonylContact O-C 3.55Å; G31-K34 PolarHBondContact O-N 2.92Å; G31-K34 VanDerWaalsContact O-N 3.12Å; S32-K34 VanDerWaalsContact C-N 3.3Å; S32-K34 PolarHBondContact O-N 2.79Å; K34-Q179 PolarHBondContact O-NE2 3.03Å
35G50.3Low62.3Low35 Ų3586.9 Ų86.936%0.36146%0.462SS..  trans-57.9144.4-175.300000114.7G31G31-G35 PolarHBondContact O-N 2.99Å; G31-G35 VanDerWaalsContact O-N 3.07Å
36D51.1Low64.3Low40 Ų4081.2 Ų81.221%0.21444%0.436CS..  trans-54.9126.9177.5-173.7-32.2000110.1T38 E39 R174D36-T38 PolarHBondContact O-N 3.36Å; D36-T38 WeakPolarHBondContact OD1-CB 2.76Å; D36-T38 PolarHBondContact OD1-N 3.04Å; D36-T38 PolarHBondContact OD1-OG1 3.05Å; D36-E39 PolarHBondContact O-N 2.96Å; D36-E39 VanDerWaalsContact O-N 3.11Å; D36-R174 IonicContact OD2-CZ 3.85Å; D36-R174 IonicContact OD2-NH1 3.1Å; D36-R174 PolarHBondContact OD2-NH1 3.19Å; D36-R174 IonicContact OD2-NH2 2.85Å
37P53.1Low66.3Low102 Ų10280.1 Ų80.166%0.66242%0.422SS*.G310 helixtrans-57.5-23.6179.324.5-35.2000113.4E39P37-E39 VanDerWaalsContact C-N 3.3Å; P37-E39 PolarHBondContact O-N 3.31Å
38T53.7Low68.1Low95 Ų9581 Ų8158%0.58343%0.425SS*.G310 helixtrans-72-20.5-179.4-32.40000113.2D36D36-T38 PolarHBondContact O-N 3.36Å; D36-T38 WeakPolarHBondContact OD1-CB 2.76Å; D36-T38 PolarHBondContact OD1-N 3.04Å; D36-T38 PolarHBondContact OD1-OG1 3.05Å
39E59.6Low70.2Confident10 Ų1080.7 Ų80.75%0.04743%0.428CS..G310 helixtrans-112.610.9-173.2-60.2-172.4-102.100113.5D36 P37 E41 L42 Y88 R174 M181D36-E39 PolarHBondContact O-N 2.96Å; D36-E39 VanDerWaalsContact O-N 3.11Å; P37-E39 VanDerWaalsContact C-N 3.3Å; P37-E39 PolarHBondContact O-N 3.31Å; E39-E41 PolarHBondContact O-N 3.49Å; E39-E41 VanDerWaalsContact O-N 3.12Å; E39-L42 WeakPolarHBondContact O-CB 3.45Å; E39-L42 PolarHBondContact O-N 3.4Å; E39-Y88 WeakPolarHBondContact OE2-CE1 3.31Å; E39-Y88 VanDerWaalsContact OE2-CZ 3.27Å; E39-Y88 PolarHBondContact OE2-OH 3.17Å; E39-R174 VanDerWaalsContact OE1-CD 3.26Å; E39-R174 WeakPolarHBondContact OE1-CD 3.4Å; E39-R174 IonicContact OE1-CZ 2.71Å; E39-R174 VanDerWaalsContact OE1-CZ 3.31Å; E39-R174 IonicContact OE1-NE 3.98Å; E39-R174 IonicContact OE1-NH1 3.73Å; E39-R174 PolarHBondContact OE1-NH1 3.03Å; E39-M181 HydrophobicContact CB-CE 4.1Å; E39-M181 HydrophobicContact CB-SD 4.41Å; E39-M181 HydrophobicContact CG-CE 4.35Å; E39-M181 WeakPolarHBondContact OE1-CE 3.44Å; E39-M181 WeakPolarHBondContact OE2-CE 3.44Å
40R62Low72.5Confident212 Ų21280.4 Ų80.480%0.843%0.427SS*.THydrogen-bonded Turntrans-64-12.7175.4-70.9-176.8173.9-164.2-2.8114.4
41E80.6Confident74.8Confident118 Ų11878.4 Ų78.455%0.55141%0.407SS*.THydrogen-bonded Turntrans-99.411.7174.9-174.9143.7-129.900112.9E39 R43E39-E41 PolarHBondContact O-N 3.49Å; E39-E41 VanDerWaalsContact O-N 3.12Å; E41-R43 WeakPolarHBondContact O-CG 3.49Å; E41-R43 PolarHBondContact O-N 3.42Å; E41-R43 VanDerWaalsContact O-N 3.08Å; E41-R43 IonicContact OE1-CZ 3.64Å; E41-R43 IonicContact OE1-NE 3.55Å; E41-R43 IonicContact OE1-NH2 3.62Å; E41-R43 PolarHBondContact OE1-NH2 2.93Å
42L90.4Very high77.2Confident26 Ų2677.6 Ų77.614%0.13640%0.399CS..  trans-57.2116.9175.8175.956.9000111.5E39 V44 V79 S80 L82 I172 T183 H185E39-L42 WeakPolarHBondContact O-CB 3.45Å; E39-L42 PolarHBondContact O-N 3.4Å; L42-V44 HydrophobicContact CD1-CG2 4.25Å; L42-V79 HydrophobicContact CD1-CG1 3.94Å; L42-S80 WeakPolarHBondContact CA-O 3.31Å; L42-S80 WeakPolarHBondContact CD1-O 3.42Å; L42-L82 HydrophobicContact CD1-CD2 3.65Å; L42-L82 HydrophobicContact CD1-CG 4.15Å; L42-L82 HydrophobicContact CD2-CD2 4.39Å; L42-I172 HydrophobicContact CD1-CD1 4.21Å; L42-I172 HydrophobicContact CD2-CD1 4.48Å; L42-T183 HydrophobicContact CD2-CG2 3.92Å; L42-T183 VanDerWaalsContact CD2-OG1 3.31Å; L42-T183 WeakPolarHBondContact CD2-OG1 3.38Å; L42-H185 WeakPolarHBondContact CD2-NE2 3.34Å
43R94.2Very high79.5Confident155 Ų15576.6 Ų76.659%0.58539%0.385SS*.EExtended strand (participates in β ladder)trans-125.5136.2175.4-63166.2-159.6-97.97.4109.2E41 V79 S80E41-R43 WeakPolarHBondContact O-CG 3.49Å; E41-R43 PolarHBondContact O-N 3.42Å; E41-R43 VanDerWaalsContact O-N 3.08Å; E41-R43 IonicContact OE1-CZ 3.64Å; E41-R43 IonicContact OE1-NE 3.55Å; E41-R43 IonicContact OE1-NH2 3.62Å; E41-R43 PolarHBondContact OE1-NH2 2.93Å; R43-V79 WeakPolarHBondContact O-CA 3.35Å; R43-S80 PolarHBondContact N-O 3.12Å; R43-S80 PolarHBondContact O-N 2.9Å
44V97.2Very high82Confident21 Ų2173.2 Ų73.213%0.12737%0.365CS..EExtended strand (participates in β ladder)trans-126119.5173.7-172.90000107.5L42 V77 N78 V79 I172 H185 F187L42-V44 HydrophobicContact CD1-CG2 4.25Å; V44-V77 HydrophobicContact CG1-CB 3.73Å; V44-V77 HydrophobicContact CG1-CG1 3.93Å; V44-V77 HydrophobicContact CG1-CG2 3.9Å; V44-N78 WeakPolarHBondContact CA-O 3.39Å; V44-V79 HydrophobicContact CG1-CG2 4.43Å; V44-V79 HydrophobicContact CG2-CG1 4.47Å; V44-I172 HydrophobicContact CG2-CD1 3.68Å; V44-H185 HydrophobicContact CB-CB 4.37Å; V44-H185 HydrophobicContact CG1-CB 4.46Å; V44-F187 HydrophobicContact CG1-CE2 4.37Å; V44-F187 HydrophobicContact CG1-CZ 4.04Å
45G97.6Very high84.4Confident29 Ų2965.7 Ų65.730%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-115.7142.9-178.400000111.6V77 N78G45-V77 CarbonylContact O-C 3.48Å; G45-V77 WeakPolarHBondContact O-CA 3.4Å; G45-V77 VanDerWaalsContact O-CB 3.26Å; G45-V77 WeakPolarHBondContact O-CB 3.42Å; G45-N78 PolarHBondContact N-O 2.82Å; G45-N78 PolarHBondContact O-N 3.38Å
46L98.5Very high86.7Confident20 Ų2067.2 Ų67.211%0.10533%0.329CS..EExtended strand (participates in β ladder)trans-78.2124.4176.9-179.168000111.3W52 L75 F187 E189 T190L46-W52 HydrophobicContact CD2-CB 4.25Å; L46-W52 HydrophobicContact CD2-CG 4.13Å; L46-L75 HydrophobicContact CD1-CD1 3.81Å; L46-F187 HydrophobicContact CB-CD1 3.75Å; L46-F187 HydrophobicContact CB-CE1 3.91Å; L46-F187 HydrophobicContact CB-CG 4.16Å; L46-F187 HydrophobicContact CB-CZ 4.44Å; L46-F187 HydrophobicContact CD1-CG 4.45Å; L46-F187 HydrophobicContact CD2-CB 4.32Å; L46-E189 HydrophobicContact CD2-CG 3.39Å; L46-E189 WeakPolarHBondContact CD2-OE1 3.41Å; L46-T190 HydrophobicContact CD1-CG2 3.69Å; L46-T190 HydrophobicContact CD2-CG2 3.53Å; L46-T190 HydrophobicContact CG-CG2 4.29Å
47E98.3Very high88.9Confident60 Ų6072.1 Ų72.128%0.2835%0.351SS..THydrogen-bonded Turntrans-77.7151.5169.4-89.4-66-176.400111.6S49 K76 N78 P140E47-S49 PolarHBondContact O-N 3.29Å; E47-K76 HydrophobicContact CB-CB 3.54Å; E47-K76 HydrophobicContact CB-CD 4.27Å; E47-K76 HydrophobicContact CG-CB 4.2Å; E47-K76 PolarHBondContact N-O 3.44Å; E47-K76 VanDerWaalsContact N-O 3.08Å; E47-N78 WeakPolarHBondContact CG-OD1 3.42Å; E47-N78 PolarHBondContact OE1-ND2 3.45Å; E47-P140 HydrophobicContact CG-CB 3.81Å; E47-P140 HydrophobicContact CG-CG 3.95Å; E47-P140 WeakPolarHBondContact OE1-CG 3.42Å
48E97.1Very high91.1Very high80 Ų8069.8 Ų69.837%0.37433%0.332SS..THydrogen-bonded Turntrans55.231.2179.6-62.9171.2-173.600113.7E50 L51 W52 K76E48-E50 VanDerWaalsContact C-N 3.32Å; E48-E50 PolarHBondContact O-N 3.39Å; E48-L51 HydrophobicContact CB-CB 4.43Å; E48-L51 WeakPolarHBondContact O-CB 3.28Å; E48-L51 PolarHBondContact O-N 2.77Å; E48-W52 PolarHBondContact O-N 3.13Å; E48-K76 IonicContact OE1-NZ 3.87Å; E48-K76 PolarHBondContact OE1-NZ 2.88Å; E48-K76 IonicContact OE2-NZ 2.62Å
49S97.6Very high93.2Very high50 Ų5067.7 Ų67.735%0.3532%0.319SS..Hα-helixtrans-55.7-37-174.557.90000114.3E47 L51 W52 L53E47-S49 PolarHBondContact O-N 3.29Å; S49-L51 VanDerWaalsContact C-N 3.27Å; S49-L51 PolarHBondContact O-N 2.83Å; S49-W52 WeakPolarHBondContact O-CB 3.46Å; S49-W52 PolarHBondContact O-N 3.31Å; S49-W52 VanDerWaalsContact O-N 3.16Å; S49-L53 WeakPolarHBondContact O-CG 3.28Å; S49-L53 PolarHBondContact O-N 2.71Å
50E98.2Very high95Very high126 Ų12667.3 Ų67.359%0.58932%0.317SS*.Hα-helixtrans-57.3-37.4172-74.4-169.7-161.600113.4E48 L53 R54E48-E50 VanDerWaalsContact C-N 3.32Å; E48-E50 PolarHBondContact O-N 3.39Å; E50-L53 PolarHBondContact O-N 3.35Å; E50-R54 WeakPolarHBondContact O-CG 3.4Å; E50-R54 PolarHBondContact O-N 2.85Å; E50-R54 VanDerWaalsContact O-N 3.15Å; E50-R54 IonicContact OE2-CZ 2.59Å; E50-R54 IonicContact OE2-NH2 3.6Å; E50-R54 PolarHBondContact OE2-NH2 3.32Å
51L98.4Very high96.8Very high25 Ų2557.2 Ų57.213%0.13128%0.279CS..Hα-helixtrans-71.9-39178.7-178.161.7000110.1E48 S49 R54 F55 F72 P73 Y210E48-L51 HydrophobicContact CB-CB 4.43Å; E48-L51 WeakPolarHBondContact O-CB 3.28Å; E48-L51 PolarHBondContact O-N 2.77Å; S49-L51 VanDerWaalsContact C-N 3.27Å; S49-L51 PolarHBondContact O-N 2.83Å; L51-R54 PolarHBondContact O-N 2.9Å; L51-F55 HydrophobicContact CD1-CD2 4.27Å; L51-F55 HydrophobicContact CD1-CE2 3.92Å; L51-F55 HydrophobicContact CG-CD2 4.29Å; L51-F55 HydrophobicContact CG-CE2 4.18Å; L51-F55 VanDerWaalsContact O-CD2 3.27Å; L51-F55 WeakPolarHBondContact O-CD2 3.42Å; L51-F55 PolarHBondContact O-N 2.86Å; L51-F72 HydrophobicContact CD2-CZ 4.31Å; L51-P73 HydrophobicContact CD2-CB 4.17Å; L51-P73 HydrophobicContact CD2-CG 4.04Å; L51-P73 HydrophobicContact CG-CG 3.93Å; L51-Y210 HydrophobicContact CD1-CD1 4.07Å; L51-Y210 HydrophobicContact CD1-CD2 3.93Å; L51-Y210 HydrophobicContact CD1-CE2 4.44Å; L51-Y210 HydrophobicContact CD1-CG 3.74Å
52W98.7Very high97.7Very high0 Ų051.8 Ų51.80%025%0.254CS..Hα-helixtrans-61.8-42.6172.1-76.1103.9000112.2L46 E48 S49 R54 F55 K56 N60 M62 P73 L75 E189 T190L46-W52 HydrophobicContact CD2-CB 4.25Å; L46-W52 HydrophobicContact CD2-CG 4.13Å; E48-W52 PolarHBondContact O-N 3.13Å; S49-W52 WeakPolarHBondContact O-CB 3.46Å; S49-W52 PolarHBondContact O-N 3.31Å; S49-W52 VanDerWaalsContact O-N 3.16Å; W52-R54 PolarHBondContact O-N 2.79Å; W52-F55 CarbonylContact O-C 3.45Å; W52-F55 PolarHBondContact O-N 2.85Å; W52-F55 VanDerWaalsContact O-N 3.12Å; W52-K56 WeakPolarHBondContact O-CB 3.41Å; W52-K56 PolarHBondContact O-N 2.75Å; W52-N60 WeakPolarHBondContact CZ3-ND2 3.44Å; W52-M62 HydrophobicContact CH2-CE 3.66Å; W52-M62 HydrophobicContact CZ3-CE 3.71Å; W52-P73 HydrophobicContact CD2-CB 4.14Å; W52-P73 HydrophobicContact CD2-CG 4.07Å; W52-P73 HydrophobicContact CE3-CG 4.29Å; W52-P73 HydrophobicContact CH2-CB 4.41Å; W52-P73 HydrophobicContact CZ2-CB 3.84Å; W52-P73 HydrophobicContact CZ2-CG 4.45Å; W52-L75 HydrophobicContact CZ2-CB 4.32Å; W52-E189 HydrophobicContact CB-CG 4.16Å; W52-T190 HydrophobicContact CD2-CG2 3.75Å; W52-T190 HydrophobicContact CE3-CG2 3.94Å; W52-T190 HydrophobicContact CG-CG2 4.07Å; W52-T190 HydrophobicContact CZ2-CG2 4.39Å; W52-T190 HydrophobicContact CZ3-CG2 4.3Å
53L98.6Very high98Very high81 Ų8151.8 Ų51.842%0.42425%0.254SS..Hα-helixtrans-60.1-46176.4-73168.7000112.5S49 E50 F55 K56 E57 E189S49-L53 WeakPolarHBondContact O-CG 3.28Å; S49-L53 PolarHBondContact O-N 2.71Å; E50-L53 PolarHBondContact O-N 3.35Å; L53-F55 PolarHBondContact O-N 2.98Å; L53-K56 WeakPolarHBondContact O-CA 3.39Å; L53-K56 WeakPolarHBondContact O-CB 3.4Å; L53-K56 PolarHBondContact O-N 3.12Å; L53-E57 WeakPolarHBondContact O-CG 3.4Å; L53-E57 PolarHBondContact O-N 2.67Å; L53-E189 HydrophobicContact CD2-CB 3.81Å; L53-E189 HydrophobicContact CG-CB 4.33Å
54R98.4Very high98.2Very high94 Ų9444.4 Ų44.436%0.35523%0.226SC..Hα-helixtrans-59-31.8174.4-68.9174.4-167.3135.917.9113.3E50 L51 W52 L206E50-R54 WeakPolarHBondContact O-CG 3.4Å; E50-R54 PolarHBondContact O-N 2.85Å; E50-R54 VanDerWaalsContact O-N 3.15Å; E50-R54 IonicContact OE2-CZ 2.59Å; E50-R54 IonicContact OE2-NH2 3.6Å; E50-R54 PolarHBondContact OE2-NH2 3.32Å; L51-R54 PolarHBondContact O-N 2.9Å; W52-R54 PolarHBondContact O-N 2.79Å; R54-L206 WeakPolarHBondContact O-CD1 3.38Å
55F98.6Very high98.1Very high0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-78.9-33.4172-83-68.4000112.9L51 W52 L53 N60 F72 P73 I203 L206 K207L51-F55 HydrophobicContact CD1-CD2 4.27Å; L51-F55 HydrophobicContact CD1-CE2 3.92Å; L51-F55 HydrophobicContact CG-CD2 4.29Å; L51-F55 HydrophobicContact CG-CE2 4.18Å; L51-F55 VanDerWaalsContact O-CD2 3.27Å; L51-F55 WeakPolarHBondContact O-CD2 3.42Å; L51-F55 PolarHBondContact O-N 2.86Å; W52-F55 CarbonylContact O-C 3.45Å; W52-F55 PolarHBondContact O-N 2.85Å; W52-F55 VanDerWaalsContact O-N 3.12Å; L53-F55 PolarHBondContact O-N 2.98Å; F55-N60 HydrophobicContact CB-CB 4.02Å; F55-N60 VanDerWaalsContact O-CA 3.25Å; F55-N60 WeakPolarHBondContact O-CA 3.22Å; F55-N60 WeakPolarHBondContact O-CB 3.15Å; F55-N60 PolarHBondContact O-N 2.77Å; F55-F72 HydrophobicContact CE2-CD1 4.22Å; F55-F72 AromaticContact CE2-CE1 3.81Å; F55-F72 HydrophobicContact CE2-CE1 3.81Å; F55-F72 HydrophobicContact CZ-CD1 4.08Å; F55-F72 AromaticContact CZ-CE1 3.87Å; F55-F72 HydrophobicContact CZ-CE1 3.87Å; F55-P73 HydrophobicContact CD2-CG 3.43Å; F55-P73 VanDerWaalsContact CD2-CG 3.43Å; F55-P73 HydrophobicContact CE2-CG 3.62Å; F55-P73 HydrophobicContact CG-CG 4.45Å; F55-I203 HydrophobicContact CD1-CD1 3.91Å; F55-L206 HydrophobicContact CD1-CB 4.17Å; F55-L206 HydrophobicContact CD1-CD1 3.97Å; F55-L206 HydrophobicContact CE1-CB 3.38Å; F55-L206 HydrophobicContact CE1-CD1 4.04Å; F55-L206 HydrophobicContact CE1-CG 4.39Å; F55-L206 HydrophobicContact CE2-CB 4.48Å; F55-L206 HydrophobicContact CG-CD1 4.42Å; F55-L206 HydrophobicContact CZ-CB 3.58Å; F55-K207 HydrophobicContact CD1-CD 4.43Å; F55-K207 HydrophobicContact CE1-CD 3.52Å; F55-K207 VanDerWaalsContact CE1-CE 3.44Å; F55-K207 HydrophobicContact CE1-CG 3.88Å; F55-K207 HydrophobicContact CZ-CD 3.77Å; F55-K207 HydrophobicContact CZ-CG 4.26Å
56K98.3Very high97.9Very high67 Ų6751.4 Ų51.429%0.29125%0.251SS..Hα-helixtrans-66.2-43.8178.6177.266.4-179.5-156.90111.9W52 L53 L58 T59 P188W52-K56 WeakPolarHBondContact O-CB 3.41Å; W52-K56 PolarHBondContact O-N 2.75Å; L53-K56 WeakPolarHBondContact O-CA 3.39Å; L53-K56 WeakPolarHBondContact O-CB 3.4Å; L53-K56 PolarHBondContact O-N 3.12Å; K56-L58 PolarHBondContact O-N 3.44Å; K56-T59 PolarHBondContact O-N 3.45Å; K56-P188 WeakPolarHBondContact CE-O 3.2Å; K56-P188 PolarHBondContact NZ-O 2.82Å
57E98.3Very high97.6Very high144 Ų14456 Ų5667%0.67328%0.276SS*.Hα-helixtrans-52.2-42.3178.3-74.8161.3-176.700112L53 T59L53-E57 WeakPolarHBondContact O-CG 3.4Å; L53-E57 PolarHBondContact O-N 2.67Å; E57-T59 VanDerWaalsContact C-N 3.34Å; E57-T59 PolarHBondContact O-N 3.12Å
58L98Very high97.4Very high52 Ų5253.6 Ų53.627%0.27227%0.267SS..THydrogen-bonded Turntrans-92.714.4-178.3-56.7-177.3000114K56 N200 E202 I203 L206K56-L58 PolarHBondContact O-N 3.44Å; L58-N200 PolarHBondContact O-ND2 2.98Å; L58-E202 HydrophobicContact CD1-CB 3.76Å; L58-E202 WeakPolarHBondContact CD2-OE2 3.32Å; L58-I203 HydrophobicContact CB-CD1 3.65Å; L58-I203 HydrophobicContact CB-CG1 4.07Å; L58-L206 HydrophobicContact CD1-CD1 3.73Å; L58-L206 HydrophobicContact CD1-CG 4.4Å
59T98.4Very high97.4Very high51 Ų5156.2 Ų56.231%0.31327%0.273SS..  trans56.187.3-169.8-59.10000112.6K56 E57 W109 I193K56-T59 PolarHBondContact O-N 3.45Å; E57-T59 VanDerWaalsContact C-N 3.34Å; E57-T59 PolarHBondContact O-N 3.12Å; T59-W109 HydrophobicContact CG2-CB 4.31Å; T59-W109 HydrophobicContact CG2-CG 3.99Å; T59-I193 HydrophobicContact CG2-CD1 3.7Å; T59-I193 HydrophobicContact CG2-CG1 4.23Å
60N98.8Very high97.4Very high2 Ų260.7 Ų60.71%0.01128%0.283CS..  trans-51.7139.2-174.8-167.19000113.5W52 F55 Q191 F192 I193 K207W52-N60 WeakPolarHBondContact CZ3-ND2 3.44Å; F55-N60 HydrophobicContact CB-CB 4.02Å; F55-N60 VanDerWaalsContact O-CA 3.25Å; F55-N60 WeakPolarHBondContact O-CA 3.22Å; F55-N60 WeakPolarHBondContact O-CB 3.15Å; F55-N60 PolarHBondContact O-N 2.77Å; N60-Q191 WeakPolarHBondContact CB-O 3.42Å; N60-F192 HydrophobicContact CB-CB 4.01Å; N60-F192 CarbonylContact O-C 3.55Å; N60-F192 WeakPolarHBondContact O-CA 3.44Å; N60-F192 WeakPolarHBondContact O-CB 3.43Å; N60-I193 PolarHBondContact O-N 2.87Å; N60-K207 PolarHBondContact OD1-NZ 2.87Å
61E98.8Very high97.4Very high0 Ų055.3 Ų55.30%026%0.257CS..EExtended strand (participates in β ladder)trans-121.1140.4177.1-56.8-179-166.200111.4W109 I193 V195 Y198 Q199 N200 I203 K207E61-W109 HydrophobicContact CG-CZ2 4.16Å; E61-W109 WeakPolarHBondContact OE1-CZ2 3.25Å; E61-W109 PolarHBondContact OE1-NE1 2.8Å; E61-I193 WeakPolarHBondContact CA-O 3.49Å; E61-V195 HydrophobicContact CB-CG2 3.96Å; E61-Y198 HydrophobicContact CB-CD1 3.93Å; E61-Y198 HydrophobicContact CB-CE1 4.27Å; E61-Y198 WeakPolarHBondContact OE2-CA 3.48Å; E61-Q199 PolarHBondContact OE1-N 2.89Å; E61-Q199 PolarHBondContact OE2-N 2.82Å; E61-N200 WeakPolarHBondContact OE1-CB 3.43Å; E61-N200 PolarHBondContact OE1-N 3.13Å; E61-I203 HydrophobicContact CB-CG2 4.06Å; E61-I203 HydrophobicContact CG-CG2 4.27Å; E61-K207 WeakPolarHBondContact O-CE 3.32Å; E61-K207 PolarHBondContact O-NZ 3.08Å
62M98.6Very high97.4Very high4 Ų455.3 Ų55.32%0.0226%0.256CS..EExtended strand (participates in β ladder)trans-122.3126.8172.7-65.6-71.2-178.200111.1W52 V64 M71 F72 L148 F192 I193 V195W52-M62 HydrophobicContact CH2-CE 3.66Å; W52-M62 HydrophobicContact CZ3-CE 3.71Å; M62-V64 PolarHBondContact O-N 3.29Å; M62-M71 HydrophobicContact CE-CB 4.07Å; M62-M71 HydrophobicContact SD-CB 3.87Å; M62-M71 HydrophobicContact SD-CG 4.31Å; M62-F72 WeakPolarHBondContact CE-O 3.34Å; M62-F72 PolarHBondContact SD-N 2.84Å; M62-L148 HydrophobicContact CB-CD1 3.99Å; M62-L148 HydrophobicContact CG-CD1 4.42Å; M62-F192 HydrophobicContact CB-CD2 3.43Å; M62-F192 VanDerWaalsContact CB-CD2 3.43Å; M62-F192 HydrophobicContact CB-CE2 3.68Å; M62-F192 HydrophobicContact CB-CG 4.05Å; M62-F192 HydrophobicContact CB-CZ 4.49Å; M62-F192 HydrophobicContact CG-CB 3.87Å; M62-F192 HydrophobicContact CG-CD1 3.91Å; M62-F192 HydrophobicContact CG-CD2 3.34Å; M62-F192 HydrophobicContact CG-CE1 4.33Å; M62-F192 HydrophobicContact CG-CE2 3.8Å; M62-F192 HydrophobicContact CG-CG 3.4Å; M62-F192 VanDerWaalsContact CG-CG 3.4Å; M62-F192 HydrophobicContact CG-CZ 4.27Å; M62-I193 PolarHBondContact N-O 3.49Å; M62-V195 PolarHBondContact O-N 3.5Å
63I98.4Very high97.3Very high26 Ų2655.3 Ų55.313%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-70.6124.6177.9-64.6-77000110.4T65 R69 V195 Y198I63-T65 HydrophobicContact CG2-CG2 3.77Å; I63-R69 HydrophobicContact CB-CG 4.13Å; I63-R69 HydrophobicContact CG2-CB 4.44Å; I63-R69 HydrophobicContact CG2-CG 3.99Å; I63-R69 VanDerWaalsContact O-CB 3.31Å; I63-R69 WeakPolarHBondContact O-CB 3.23Å; I63-V195 CarbonylContact C-O 3.54Å; I63-V195 VanDerWaalsContact CA-O 3.26Å; I63-V195 WeakPolarHBondContact CA-O 3.28Å; I63-V195 HydrophobicContact CD1-CG2 4.11Å; I63-Y198 HydrophobicContact CD1-CD1 3.98Å; I63-Y198 HydrophobicContact CD1-CD2 4.22Å; I63-Y198 HydrophobicContact CD1-CE1 3.97Å; I63-Y198 HydrophobicContact CD1-CE2 4.21Å; I63-Y198 HydrophobicContact CD1-CG 4.09Å; I63-Y198 HydrophobicContact CG1-CD1 4.1Å; I63-Y198 HydrophobicContact CG1-CD2 4.47Å; I63-Y198 HydrophobicContact CG1-CE1 3.56Å; I63-Y198 HydrophobicContact CG1-CE2 3.97Å; I63-Y198 VanDerWaalsContact CG1-CZ 3.47Å
64V96.9Very high97.3Very high1 Ų153 Ų531%0.00625%0.246CC..  trans-104139.1166.8-68.90000110.8M62 L148 N150 L160 S162 A194 V195 T196M62-V64 PolarHBondContact O-N 3.29Å; V64-L148 HydrophobicContact CG1-CB 3.81Å; V64-N150 HydrophobicContact CB-CB 4.35Å; V64-N150 HydrophobicContact CG2-CB 4.02Å; V64-L160 HydrophobicContact CG1-CB 4.37Å; V64-S162 WeakPolarHBondContact CG2-OG 3.14Å; V64-A194 HydrophobicContact CG1-CB 4.14Å; V64-V195 WeakPolarHBondContact CG2-O 3Å; V64-V195 PolarHBondContact N-O 3.01Å; V64-T196 HydrophobicContact CG2-CG2 4.35Å
65T95.7Very high97.4Very high49 Ų4948.6 Ų48.630%0.30123%0.229SC..  trans-139.5159.1179.764.70000112.2I63 N67 G68 R69 T149I63-T65 HydrophobicContact CG2-CG2 3.77Å; T65-N67 PolarHBondContact O-N 3.22Å; T65-N67 VanDerWaalsContact O-N 3.08Å; T65-G68 PolarHBondContact O-N 3.16Å; T65-G68 VanDerWaalsContact O-N 3.07Å; T65-G68 PolarHBondContact OG1-N 3.23Å; T65-R69 HydrophobicContact CG2-CB 4.22Å; T65-T149 WeakPolarHBondContact O-CA 3.49Å; T65-T149 VanDerWaalsContact O-CB 3.31Å; T65-T149 WeakPolarHBondContact O-CB 3.42Å; T65-T149 PolarHBondContact O-OG1 3.48Å
66K93.2Very high97.4Very high148 Ų14851.2 Ų51.264%0.64324%0.241SC*.THydrogen-bonded Turntrans-52.5-31.7176.8-176.6-179.9175.5-175.50113.6N153K66-N153 PolarHBondContact O-ND2 2.9Å
67N92.1Very high97.4Very high117 Ų11748 Ų4863%0.62623%0.227SC*.THydrogen-bonded Turntrans-1026.7-175.9-63.6-2.2000113.8T65 K147 Q157T65-N67 PolarHBondContact O-N 3.22Å; T65-N67 VanDerWaalsContact O-N 3.08Å; N67-K147 PolarHBondContact O-NZ 3.31Å; N67-K147 VanDerWaalsContact O-NZ 3.09Å; N67-Q157 PolarHBondContact O-NE2 3.35Å
68G94.7Very high97.4Very high9 Ų944.3 Ų44.39%0.09321%0.212CC..  trans76120.5-177.900000113.4T65 K147 L148T65-G68 PolarHBondContact O-N 3.16Å; T65-G68 VanDerWaalsContact O-N 3.07Å; T65-G68 PolarHBondContact OG1-N 3.23Å; G68-K147 WeakPolarHBondContact O-CD 3.44Å; G68-K147 VanDerWaalsContact O-CE 3.28Å; G68-K147 WeakPolarHBondContact O-CE 3.36Å; G68-K147 PolarHBondContact O-NZ 2.83Å; G68-L148 WeakPolarHBondContact CA-O 3.48Å
69R96.6Very high97.3Very high134 Ų13442.4 Ų42.451%0.50620%0.202SC..BIsolated β-bridgetrans-109140.6-180-175.773.6177.1-169.5-0.8110.2I63 T65 K147 L148I63-R69 HydrophobicContact CB-CG 4.13Å; I63-R69 HydrophobicContact CG2-CB 4.44Å; I63-R69 HydrophobicContact CG2-CG 3.99Å; I63-R69 VanDerWaalsContact O-CB 3.31Å; I63-R69 WeakPolarHBondContact O-CB 3.23Å; T65-R69 HydrophobicContact CG2-CB 4.22Å; R69-K147 CarbonylContact O-C 3.48Å; R69-K147 WeakPolarHBondContact O-CA 3.22Å; R69-L148 PolarHBondContact N-O 2.84Å; R69-L148 PolarHBondContact O-N 2.82Å
70R97.1Very high97.2Very high145 Ų14542.6 Ų42.655%0.54721%0.206SC..  trans-72147.3173.6-73.2177.9175.6164.6-1110.9S144R70-S144 VanDerWaalsContact CD-O 3.24Å; R70-S144 WeakPolarHBondContact CD-O 3.47Å; R70-S144 PolarHBondContact NE-O 3.01Å
71M98.2Very high96.9Very high12 Ų1243.5 Ų43.56%0.05922%0.215CC..  trans-66.4153.2172.8-56.7-163.1-56.300111.8M62 P73 L75 F94 V146 L148M62-M71 HydrophobicContact CE-CB 4.07Å; M62-M71 HydrophobicContact SD-CB 3.87Å; M62-M71 HydrophobicContact SD-CG 4.31Å; M71-P73 CarbonylContact C-O 3.46Å; M71-L75 HydrophobicContact CE-CB 3.55Å; M71-L75 HydrophobicContact CE-CD2 4.49Å; M71-F94 HydrophobicContact CE-CZ 4.28Å; M71-F94 HydrophobicContact SD-CE1 3.75Å; M71-F94 HydrophobicContact SD-CZ 3.6Å; M71-V146 HydrophobicContact CE-CG1 3.96Å; M71-V146 HydrophobicContact CG-CG1 4.09Å; M71-V146 HydrophobicContact SD-CG1 4.35Å; M71-L148 HydrophobicContact CG-CD1 3.74Å; M71-L148 HydrophobicContact CG-CD2 4.48Å; M71-L148 HydrophobicContact CG-CG 4.01Å; M71-L148 HydrophobicContact SD-CD1 4.05Å; M71-L148 HydrophobicContact SD-CD2 4.5Å
72F98.5Very high96.7Very high25 Ų2543.9 Ų43.911%0.1122%0.217CC..SBendtrans-145.8124.5161.5-173.6-89.9000109.8L51 F55 M62 K207 Y210 N211L51-F72 HydrophobicContact CD2-CZ 4.31Å; F55-F72 HydrophobicContact CE2-CD1 4.22Å; F55-F72 AromaticContact CE2-CE1 3.81Å; F55-F72 HydrophobicContact CE2-CE1 3.81Å; F55-F72 HydrophobicContact CZ-CD1 4.08Å; F55-F72 AromaticContact CZ-CE1 3.87Å; F55-F72 HydrophobicContact CZ-CE1 3.87Å; M62-F72 WeakPolarHBondContact CE-O 3.34Å; M62-F72 PolarHBondContact SD-N 2.84Å; F72-K207 HydrophobicContact CD1-CD 3.96Å; F72-K207 PolarHBondContact O-NZ 3.42Å; F72-Y210 WeakPolarHBondContact CZ-O 3.28Å; F72-N211 HydrophobicContact CD1-CB 3.92Å; F72-N211 HydrophobicContact CD2-CB 3.8Å; F72-N211 HydrophobicContact CE1-CB 3.91Å; F72-N211 HydrophobicContact CE2-CB 3.79Å; F72-N211 HydrophobicContact CG-CB 3.88Å; F72-N211 WeakPolarHBondContact CG-ND2 3.46Å; F72-N211 HydrophobicContact CZ-CB 3.87Å
73P98.4Very high96.3Very high0 Ų045.1 Ų45.10%022%0.224CC..SBendcis-61.5168.30.7-20.333.1000113.6L51 W52 F55 M71L51-P73 HydrophobicContact CD2-CB 4.17Å; L51-P73 HydrophobicContact CD2-CG 4.04Å; L51-P73 HydrophobicContact CG-CG 3.93Å; W52-P73 HydrophobicContact CD2-CB 4.14Å; W52-P73 HydrophobicContact CD2-CG 4.07Å; W52-P73 HydrophobicContact CE3-CG 4.29Å; W52-P73 HydrophobicContact CH2-CB 4.41Å; W52-P73 HydrophobicContact CZ2-CB 3.84Å; W52-P73 HydrophobicContact CZ2-CG 4.45Å; F55-P73 HydrophobicContact CD2-CG 3.43Å; F55-P73 VanDerWaalsContact CD2-CG 3.43Å; F55-P73 HydrophobicContact CE2-CG 3.62Å; F55-P73 HydrophobicContact CG-CG 4.45Å; M71-P73 CarbonylContact C-O 3.46Å
74V98.4Very high96.1Very high34 Ų3446.9 Ų46.921%0.20624%0.237CC..PPolyproline II helixtrans-85127.9176.7174.10000108.3K76V74-K76 HydrophobicContact CG1-CG 4.04Å; V74-K76 PolarHBondContact O-N 3.49Å
75L98.6Very high95.9Very high1 Ų152.9 Ų52.91%0.00527%0.269CS..PPolyproline II helixtrans-67.5118.1172.5-177.365.2000109.3L46 W52 M71 L92 F143 P168 I170 T190L46-L75 HydrophobicContact CD1-CD1 3.81Å; W52-L75 HydrophobicContact CZ2-CB 4.32Å; M71-L75 HydrophobicContact CE-CB 3.55Å; M71-L75 HydrophobicContact CE-CD2 4.49Å; L75-L92 HydrophobicContact CD2-CD1 3.62Å; L75-L92 HydrophobicContact CD2-CD2 4.12Å; L75-F143 HydrophobicContact CB-CB 4.43Å; L75-F143 HydrophobicContact CD2-CD2 4.35Å; L75-F143 HydrophobicContact CG-CD2 4.33Å; L75-F143 PolarHBondContact O-N 2.79Å; L75-P168 HydrophobicContact CD2-CB 3.75Å; L75-I170 HydrophobicContact CD2-CD1 3.95Å; L75-I170 HydrophobicContact CD2-CG1 4.1Å; L75-I170 HydrophobicContact CG-CD1 4.2Å; L75-T190 HydrophobicContact CD1-CG2 4.17Å
76K98.6Very high95.7Very high55 Ų5551.2 Ų51.224%0.23926%0.26CS..EExtended strand (participates in β ladder)trans-134.2142.1-179-67.9176-172.1174.40108.5E47 E48 V74 V141E47-K76 HydrophobicContact CB-CB 3.54Å; E47-K76 HydrophobicContact CB-CD 4.27Å; E47-K76 HydrophobicContact CG-CB 4.2Å; E47-K76 PolarHBondContact N-O 3.44Å; E47-K76 VanDerWaalsContact N-O 3.08Å; E48-K76 IonicContact OE1-NZ 3.87Å; E48-K76 PolarHBondContact OE1-NZ 2.88Å; E48-K76 IonicContact OE2-NZ 2.62Å; V74-K76 HydrophobicContact CG1-CG 4.04Å; V74-K76 PolarHBondContact O-N 3.49Å; K76-V141 CarbonylContact C-O 3.48Å; K76-V141 WeakPolarHBondContact CA-O 3.45Å
77V98.6Very high95.7Very high0 Ų047.9 Ų47.90%025%0.248CC..EExtended strand (participates in β ladder)trans-138.4141.2175.2-66.30000113.2V44 G45 V79 P140 V141 I170 F187V44-V77 HydrophobicContact CG1-CB 3.73Å; V44-V77 HydrophobicContact CG1-CG1 3.93Å; V44-V77 HydrophobicContact CG1-CG2 3.9Å; G45-V77 CarbonylContact O-C 3.48Å; G45-V77 WeakPolarHBondContact O-CA 3.4Å; G45-V77 VanDerWaalsContact O-CB 3.26Å; G45-V77 WeakPolarHBondContact O-CB 3.42Å; V77-V79 HydrophobicContact CG2-CG2 4.22Å; V77-P140 CarbonylContact O-C 3.57Å; V77-P140 VanDerWaalsContact O-CA 3.29Å; V77-P140 WeakPolarHBondContact O-CA 3.47Å; V77-V141 HydrophobicContact CG2-CB 4.07Å; V77-V141 PolarHBondContact N-O 2.85Å; V77-V141 PolarHBondContact O-N 2.94Å; V77-I170 HydrophobicContact CB-CD1 4.41Å; V77-I170 HydrophobicContact CG1-CD1 3.54Å; V77-I170 HydrophobicContact CG2-CD1 3.91Å; V77-F187 HydrophobicContact CG1-CE2 3.76Å; V77-F187 HydrophobicContact CG1-CZ 4.14Å
78N98.3Very high95.9Very high66 Ų6642.3 Ų42.335%0.35322%0.218SC..EExtended strand (participates in β ladder)trans-80.4145162.8-43.488.3000108.7V44 G45 E47V44-N78 WeakPolarHBondContact CA-O 3.39Å; G45-N78 PolarHBondContact N-O 2.82Å; G45-N78 PolarHBondContact O-N 3.38Å; E47-N78 WeakPolarHBondContact CG-OD1 3.42Å; E47-N78 PolarHBondContact OE1-ND2 3.45Å
79V97.4Very high96Very high11 Ų1143 Ų437%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-133.1137.7176.5-172.90000109.7L42 R43 V44 V77 L82 F90 M137 V141 I172L42-V79 HydrophobicContact CD1-CG1 3.94Å; R43-V79 WeakPolarHBondContact O-CA 3.35Å; V44-V79 HydrophobicContact CG1-CG2 4.43Å; V44-V79 HydrophobicContact CG2-CG1 4.47Å; V77-V79 HydrophobicContact CG2-CG2 4.22Å; V79-L82 HydrophobicContact CG1-CD1 3.86Å; V79-L82 HydrophobicContact CG1-CG 4.01Å; V79-F90 HydrophobicContact CG1-CZ 4.26Å; V79-F90 HydrophobicContact CG2-CE1 3.78Å; V79-F90 HydrophobicContact CG2-CZ 3.86Å; V79-M137 WeakPolarHBondContact O-CG 3.26Å; V79-V141 HydrophobicContact CG2-CG2 4.12Å; V79-I172 HydrophobicContact CG1-CD1 4.38Å
80S95.9Very high96Very high56 Ų5636.6 Ų36.639%0.39220%0.197SC..EExtended strand (participates in β ladder)trans-142.5161.8169.657.50000110.7L42 R43L42-S80 WeakPolarHBondContact CA-O 3.31Å; L42-S80 WeakPolarHBondContact CD1-O 3.42Å; R43-S80 PolarHBondContact N-O 3.12Å; R43-S80 PolarHBondContact O-N 2.9Å
81G92.9Very high96Very high20 Ų2031.2 Ų31.221%0.20618%0.179CC..  trans84.316.4177.400000116.4M137G81-M137 PolarHBondContact N-SD 2.94Å
82L92.5Very high95.9Very high8 Ų830.7 Ų30.74%0.04218%0.176CC..SBendtrans-84153.8165.7-59.8176.1000110.5L42 V79 P84 Y88 F90 W136 M137 I172L42-L82 HydrophobicContact CD1-CD2 3.65Å; L42-L82 HydrophobicContact CD1-CG 4.15Å; L42-L82 HydrophobicContact CD2-CD2 4.39Å; V79-L82 HydrophobicContact CG1-CD1 3.86Å; V79-L82 HydrophobicContact CG1-CG 4.01Å; L82-P84 VanDerWaalsContact O-CD 3.29Å; L82-P84 WeakPolarHBondContact O-CD 3.1Å; L82-Y88 HydrophobicContact CB-CE2 3.95Å; L82-Y88 HydrophobicContact CD1-CD2 4.26Å; L82-Y88 HydrophobicContact CD1-CE2 4.36Å; L82-Y88 HydrophobicContact CD1-CG 4.46Å; L82-Y88 HydrophobicContact CD2-CD1 4.14Å; L82-Y88 HydrophobicContact CD2-CE1 3.73Å; L82-Y88 HydrophobicContact CD2-CE2 4.39Å; L82-Y88 HydrophobicContact CG-CE2 4.47Å; L82-F90 HydrophobicContact CD1-CE2 4.3Å; L82-F90 HydrophobicContact CD1-CZ 4.32Å; L82-W136 HydrophobicContact CD1-CB 4.01Å; L82-M137 HydrophobicContact CB-CE 4.05Å; L82-M137 HydrophobicContact CB-CG 4.39Å; L82-M137 HydrophobicContact CB-SD 3.88Å; L82-M137 HydrophobicContact CD1-CG 4.29Å; L82-M137 HydrophobicContact CG-CG 4.47Å; L82-M137 HydrophobicContact CG-SD 4.4Å; L82-M137 PolarHBondContact N-SD 3.1Å; L82-M137 WeakPolarHBondContact O-CE 3.29Å; L82-I172 HydrophobicContact CD2-CG2 4.14Å
83D91.2Very high95.8Very high30 Ų3029.5 Ų29.516%0.1617%0.171CC..  trans-63.7118.5164.9166.89.7000108.8N85 A86 Y88 G133 R174D83-N85 PolarHBondContact O-N 2.97Å; D83-N85 WeakPolarHBondContact OD1-CB 3.37Å; D83-N85 PolarHBondContact OD1-N 2.73Å; D83-N85 PolarHBondContact OD1-ND2 2.71Å; D83-A86 HydrophobicContact CB-CB 3.92Å; D83-A86 PolarHBondContact O-N 2.96Å; D83-A86 VanDerWaalsContact OD2-CB 3.3Å; D83-A86 WeakPolarHBondContact OD2-CB 3.49Å; D83-A86 PolarHBondContact OD2-N 3.27Å; D83-Y88 PolarHBondContact N-OH 3.48Å; D83-Y88 WeakPolarHBondContact O-CE2 3.44Å; D83-G133 WeakPolarHBondContact O-CA 3.36Å; D83-R174 IonicContact OD2-NH2 2.71Å; D83-R174 PolarHBondContact OD2-NH2 3.48Å; D83-R174 VanDerWaalsContact OD2-NH2 3.14Å
84P93.5Very high95.6Very high64 Ų6430.1 Ų30.142%0.41617%0.174SC..THydrogen-bonded Turntrans-56.3-26-178.1-26.435.5000114.3L82 G133 A134 M137L82-P84 VanDerWaalsContact O-CD 3.29Å; L82-P84 WeakPolarHBondContact O-CD 3.1Å; P84-G133 PolarHBondContact O-N 3.18Å; P84-A134 HydrophobicContact CB-CB 4.13Å; P84-A134 WeakPolarHBondContact O-CB 3.3Å; P84-A134 PolarHBondContact O-N 3.47Å; P84-M137 HydrophobicContact CG-CE 4.11Å
85N92.6Very high95.4Very high126 Ų12630.5 Ų30.567%0.67418%0.176SC*.THydrogen-bonded Turntrans-102.2-17.6-169.5-43.5-84.6000113.3D83 F132D83-N85 PolarHBondContact O-N 2.97Å; D83-N85 WeakPolarHBondContact OD1-CB 3.37Å; D83-N85 PolarHBondContact OD1-N 2.73Å; D83-N85 PolarHBondContact OD1-ND2 2.71Å; N85-F132 VanDerWaalsContact O-CD1 3.28Å; N85-F132 WeakPolarHBondContact O-CD1 3.33Å; N85-F132 WeakPolarHBondContact O-CE1 3.15Å
86A91.9Very high95.2Very high14 Ų1431.7 Ų31.712%0.11619%0.186CC..SBendtrans-74.5152.1172.800000111.3D83 Y88 F132 G133 R174D83-A86 HydrophobicContact CB-CB 3.92Å; D83-A86 PolarHBondContact O-N 2.96Å; D83-A86 VanDerWaalsContact OD2-CB 3.3Å; D83-A86 WeakPolarHBondContact OD2-CB 3.49Å; D83-A86 PolarHBondContact OD2-N 3.27Å; A86-Y88 HydrophobicContact CB-CD2 4.49Å; A86-Y88 HydrophobicContact CB-CE2 3.65Å; A86-Y88 WeakPolarHBondContact O-CD2 3.42Å; A86-Y88 WeakPolarHBondContact O-CE2 3.13Å; A86-F132 CarbonylContact O-C 3.57Å; A86-F132 VanDerWaalsContact O-CA 3.28Å; A86-F132 WeakPolarHBondContact O-CA 3.45Å; A86-G133 PolarHBondContact O-N 2.85Å; A86-R174 HydrophobicContact CB-CG 4.3Å; A86-R174 VanDerWaalsContact CB-NE 3.3Å
87M94.6Very high95Very high79 Ų7930.8 Ų30.839%0.38919%0.189SC..EExtended strand (participates in β ladder)trans-88.4145.2170.3-67.4-172.9-64.800110.8N131 F132 V175M87-N131 CarbonylContact C-O 3.53Å; M87-N131 WeakPolarHBondContact CA-O 3.17Å; M87-F132 HydrophobicContact CG-CD1 4.17Å; M87-F132 HydrophobicContact CG-CE1 4.06Å; M87-V175 HydrophobicContact CB-CB 3.99Å; M87-V175 HydrophobicContact CE-CG1 4.4Å; M87-V175 PolarHBondContact O-N 2.8Å
88Y95.6Very high94.7Very high0 Ų032.3 Ų32.30%020%0.197CC..EExtended strand (participates in β ladder)trans-138.7148.8176.7-57.7-95.3000110.9E39 L82 D83 A86 P130 N131 W136 I172 V173 R174E39-Y88 WeakPolarHBondContact OE2-CE1 3.31Å; E39-Y88 VanDerWaalsContact OE2-CZ 3.27Å; E39-Y88 PolarHBondContact OE2-OH 3.17Å; L82-Y88 HydrophobicContact CB-CE2 3.95Å; L82-Y88 HydrophobicContact CD1-CD2 4.26Å; L82-Y88 HydrophobicContact CD1-CE2 4.36Å; L82-Y88 HydrophobicContact CD1-CG 4.46Å; L82-Y88 HydrophobicContact CD2-CD1 4.14Å; L82-Y88 HydrophobicContact CD2-CE1 3.73Å; L82-Y88 HydrophobicContact CD2-CE2 4.39Å; L82-Y88 HydrophobicContact CG-CE2 4.47Å; D83-Y88 PolarHBondContact N-OH 3.48Å; D83-Y88 WeakPolarHBondContact O-CE2 3.44Å; A86-Y88 HydrophobicContact CB-CD2 4.49Å; A86-Y88 HydrophobicContact CB-CE2 3.65Å; A86-Y88 WeakPolarHBondContact O-CD2 3.42Å; A86-Y88 WeakPolarHBondContact O-CE2 3.13Å; Y88-P130 CarbonylContact O-C 3.48Å; Y88-P130 WeakPolarHBondContact O-CA 3.4Å; Y88-N131 PolarHBondContact N-O 3.02Å; Y88-N131 PolarHBondContact O-N 2.89Å; Y88-W136 PolarHBondContact O-NE1 2.8Å; Y88-W136 VanDerWaalsContact O-NE1 3.12Å; Y88-I172 HydrophobicContact CD1-CG2 3.89Å; Y88-I172 HydrophobicContact CG-CG2 4.46Å; Y88-V173 CarbonylContact C-O 3.6Å; Y88-V173 VanDerWaalsContact CA-O 3.23Å; Y88-V173 WeakPolarHBondContact CA-O 3.4Å; Y88-R174 HydrophobicContact CD1-CB 3.89Å; Y88-R174 HydrophobicContact CD1-CG 4.07Å; Y88-R174 HydrophobicContact CE1-CB 3.77Å; Y88-R174 HydrophobicContact CE1-CG 3.68Å
89S96.7Very high94.3Very high23 Ų2334.3 Ų34.316%0.16121%0.208CC..EExtended strand (participates in β ladder)trans-108.2135165.5-70.40000109.5V173S89-V173 PolarHBondContact N-O 2.89Å; S89-V173 PolarHBondContact O-N 3.15Å
90F97.5Very high93.9Very high0 Ų038.3 Ų38.30%023%0.225CC..EExtended strand (participates in β ladder)trans-101.9131.7172.7-87-114.3000109.4V79 L82 H126 S129 W136 V141 F143 I170 I172V79-F90 HydrophobicContact CG1-CZ 4.26Å; V79-F90 HydrophobicContact CG2-CE1 3.78Å; V79-F90 HydrophobicContact CG2-CZ 3.86Å; L82-F90 HydrophobicContact CD1-CE2 4.3Å; L82-F90 HydrophobicContact CD1-CZ 4.32Å; F90-H126 HydrophobicContact CB-CB 3.83Å; F90-H126 VanDerWaalsContact O-CB 3.3Å; F90-H126 WeakPolarHBondContact O-CB 3.39Å; F90-H126 PolarHBondContact O-N 2.85Å; F90-S129 PolarHBondContact N-OG 3.43Å; F90-S129 VanDerWaalsContact N-OG 3.09Å; F90-S129 PolarHBondContact O-OG 3.05Å; F90-W136 HydrophobicContact CB-CE3 4.41Å; F90-W136 HydrophobicContact CB-CH2 3.83Å; F90-W136 HydrophobicContact CB-CZ2 4.3Å; F90-W136 HydrophobicContact CB-CZ3 3.89Å; F90-W136 HydrophobicContact CD1-CE3 4.5Å; F90-W136 AromaticContact CD2-CD2 3.35Å; F90-W136 HydrophobicContact CD2-CD2 3.35Å; F90-W136 AromaticContact CD2-CE2 3.46Å; F90-W136 VanDerWaalsContact CD2-CE2 3.46Å; F90-W136 AromaticContact CD2-CE3 3.58Å; F90-W136 HydrophobicContact CD2-CE3 3.58Å; F90-W136 AromaticContact CD2-CG 3.84Å; F90-W136 HydrophobicContact CD2-CG 3.84Å; F90-W136 AromaticContact CD2-CH2 3.98Å; F90-W136 HydrophobicContact CD2-CH2 3.98Å; F90-W136 AromaticContact CD2-CZ2 3.78Å; F90-W136 HydrophobicContact CD2-CZ2 3.78Å; F90-W136 AromaticContact CD2-CZ3 3.88Å; F90-W136 HydrophobicContact CD2-CZ3 3.88Å; F90-W136 AromaticContact CD2-NE1 3.95Å; F90-W136 HydrophobicContact CE2-CB 3.8Å; F90-W136 AromaticContact CE2-CD1 3.76Å; F90-W136 AromaticContact CE2-CD2 3.46Å; F90-W136 HydrophobicContact CE2-CD2 3.46Å; F90-W136 VanDerWaalsContact CE2-CD2 3.46Å; F90-W136 AromaticContact CE2-CE2 3.88Å; F90-W136 AromaticContact CE2-CE3 3.91Å; F90-W136 HydrophobicContact CE2-CE3 3.91Å; F90-W136 AromaticContact CE2-CG 3.4Å; F90-W136 HydrophobicContact CE2-CG 3.4Å; F90-W136 HydrophobicContact CG-CD2 4.17Å; F90-W136 AromaticContact CG-CE3 3.91Å; F90-W136 HydrophobicContact CG-CE3 3.91Å; F90-W136 HydrophobicContact CG-CH2 4.15Å; F90-W136 HydrophobicContact CG-CZ2 4.4Å; F90-W136 AromaticContact CG-CZ3 3.9Å; F90-W136 HydrophobicContact CG-CZ3 3.9Å; F90-W136 HydrophobicContact CZ-CB 4.09Å; F90-W136 HydrophobicContact CZ-CD2 4.33Å; F90-W136 HydrophobicContact CZ-CE3 4.49Å; F90-W136 HydrophobicContact CZ-CG 4.17Å; F90-V141 HydrophobicContact CD1-CG1 3.99Å; F90-V141 HydrophobicContact CD1-CG2 4.44Å; F90-V141 HydrophobicContact CE1-CG2 4.16Å; F90-V141 HydrophobicContact CG-CG1 4.42Å; F90-F143 HydrophobicContact CB-CZ 4.42Å; F90-I170 HydrophobicContact CD1-CG2 4.21Å; F90-I172 HydrophobicContact CD1-CG1 4.09Å; F90-I172 HydrophobicContact CD2-CG2 4.44Å; F90-I172 HydrophobicContact CE1-CD1 3.64Å; F90-I172 HydrophobicContact CE1-CG1 3.6Å; F90-I172 HydrophobicContact CE2-CD1 4.37Å; F90-I172 HydrophobicContact CE2-CG1 4.15Å; F90-I172 HydrophobicContact CE2-CG2 3.85Å; F90-I172 HydrophobicContact CZ-CB 4.45Å; F90-I172 HydrophobicContact CZ-CD1 3.5Å; F90-I172 HydrophobicContact CZ-CG1 3.63Å; F90-I172 HydrophobicContact CZ-CG2 4.05Å
91L96.2Very high93.8Very high32 Ų3240.5 Ų40.517%0.16823%0.225CC..EExtended strand (participates in β ladder)trans-131157.8-179.3-4990.4000110.4V123 Y124 I125 I170 H171 V173L91-V123 HydrophobicContact CB-CG1 3.63Å; L91-V123 HydrophobicContact CD2-CG1 3.64Å; L91-V123 HydrophobicContact CG-CG1 4.26Å; L91-Y124 CarbonylContact C-O 3.56Å; L91-Y124 VanDerWaalsContact CA-O 3.29Å; L91-Y124 WeakPolarHBondContact CA-O 3.47Å; L91-I125 HydrophobicContact CD2-CG1 3.92Å; L91-I125 HydrophobicContact CG-CG1 4.35Å; L91-I170 CarbonylContact O-C 3.55Å; L91-I170 WeakPolarHBondContact O-CA 3.42Å; L91-H171 HydrophobicContact CB-CB 4.28Å; L91-H171 HydrophobicContact CD1-CB 4.38Å; L91-H171 PolarHBondContact N-O 3Å; L91-H171 PolarHBondContact O-N 3.04Å; L91-V173 HydrophobicContact CD1-CB 4.14Å; L91-V173 HydrophobicContact CD1-CG2 3.54Å
92L96.4Very high94Very high0 Ų041.1 Ų41.10%022%0.221CC..EExtended strand (participates in β ladder)trans-135.8125.1178.1169.864.1000109L75 F94 Y124 F143 V146 P168 R169 I170L75-L92 HydrophobicContact CD2-CD1 3.62Å; L75-L92 HydrophobicContact CD2-CD2 4.12Å; L92-F94 HydrophobicContact CD1-CE2 4.35Å; L92-F94 HydrophobicContact CD1-CZ 4.35Å; L92-F94 HydrophobicContact CD2-CE2 4.08Å; L92-F94 HydrophobicContact CD2-CZ 4.02Å; L92-F94 HydrophobicContact CG-CE2 3.95Å; L92-F94 HydrophobicContact CG-CZ 4.23Å; L92-Y124 HydrophobicContact CB-CD1 4.44Å; L92-Y124 PolarHBondContact N-O 3Å; L92-Y124 PolarHBondContact O-N 3.45Å; L92-F143 HydrophobicContact CB-CD1 3.7Å; L92-F143 HydrophobicContact CB-CE1 3.6Å; L92-F143 HydrophobicContact CB-CG 4.49Å; L92-F143 HydrophobicContact CB-CZ 4.32Å; L92-F143 HydrophobicContact CD2-CB 3.9Å; L92-F143 HydrophobicContact CD2-CD1 3.72Å; L92-F143 HydrophobicContact CD2-CE1 4.45Å; L92-F143 HydrophobicContact CD2-CG 3.86Å; L92-F143 HydrophobicContact CG-CD1 4.34Å; L92-V146 HydrophobicContact CD2-CB 4.46Å; L92-V146 HydrophobicContact CD2-CG1 4.35Å; L92-V146 HydrophobicContact CD2-CG2 4.26Å; L92-P168 HydrophobicContact CD1-CB 4.06Å; L92-R169 WeakPolarHBondContact CA-O 3.43Å; L92-I170 HydrophobicContact CD1-CG1 4.22Å
93D95.2Very high94.1Very high1 Ų145.6 Ų45.61%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-123.7-17916494.4-24.7000110.7S121 V123 R169 H171D93-S121 PolarHBondContact OD2-OG 2.96Å; D93-V123 HydrophobicContact CB-CG2 4.19Å; D93-R169 VanDerWaalsContact CG-NH2 3.33Å; D93-R169 PolarHBondContact N-O 3.48Å; D93-R169 PolarHBondContact O-N 3.33Å; D93-R169 WeakPolarHBondContact OD1-CB 3.46Å; D93-R169 IonicContact OD1-CZ 3.69Å; D93-R169 IonicContact OD1-NE 3.14Å; D93-R169 PolarHBondContact OD1-NE 3.09Å; D93-R169 IonicContact OD1-NH2 2.7Å; D93-R169 PolarHBondContact OD1-NH2 2.94Å; D93-R169 VanDerWaalsContact OD1-NH2 3.13Å; D93-R169 IonicContact OD2-CZ 2.91Å; D93-R169 IonicContact OD2-NE 3.51Å; D93-R169 IonicContact OD2-NH2 3.31Å; D93-R169 PolarHBondContact OD2-NH2 2.92Å; D93-H171 IonicContact OD1-NE2 3.75Å; D93-H171 PolarHBondContact OD1-NE2 3.43Å
94F95.6Very high94.4Very high12 Ų1246.9 Ų46.95%0.05324%0.244CC..EExtended strand (participates in β ladder)trans-134.3112.7-179.6-65.7-99.4000108.8M71 L92 L148 I158 L160 Y166 E167 P168 F192M71-F94 HydrophobicContact CE-CZ 4.28Å; M71-F94 HydrophobicContact SD-CE1 3.75Å; M71-F94 HydrophobicContact SD-CZ 3.6Å; L92-F94 HydrophobicContact CD1-CE2 4.35Å; L92-F94 HydrophobicContact CD1-CZ 4.35Å; L92-F94 HydrophobicContact CD2-CE2 4.08Å; L92-F94 HydrophobicContact CD2-CZ 4.02Å; L92-F94 HydrophobicContact CG-CE2 3.95Å; L92-F94 HydrophobicContact CG-CZ 4.23Å; F94-L148 HydrophobicContact CE1-CD2 4.4Å; F94-L148 HydrophobicContact CE2-CD2 3.82Å; F94-L148 HydrophobicContact CZ-CD2 3.74Å; F94-I158 HydrophobicContact CD2-CD1 3.8Å; F94-I158 HydrophobicContact CD2-CG2 3.87Å; F94-I158 HydrophobicContact CE2-CD1 3.61Å; F94-I158 HydrophobicContact CE2-CG2 4.33Å; F94-L160 HydrophobicContact CB-CD2 3.92Å; F94-L160 HydrophobicContact CG-CD2 4.29Å; F94-Y166 HydrophobicContact CB-CD1 4.08Å; F94-E167 WeakPolarHBondContact CA-O 3.19Å; F94-P168 HydrophobicContact CD1-CB 4.16Å; F94-P168 HydrophobicContact CD1-CG 4.16Å; F94-P168 HydrophobicContact CE1-CB 3.91Å; F94-P168 HydrophobicContact CE1-CG 3.86Å; F94-F192 AromaticContact CD1-CE1 3.64Å; F94-F192 HydrophobicContact CD1-CE1 3.64Å; F94-F192 AromaticContact CD1-CZ 3.65Å; F94-F192 HydrophobicContact CD1-CZ 3.65Å; F94-F192 AromaticContact CE1-CE1 3.57Å; F94-F192 HydrophobicContact CE1-CE1 3.57Å; F94-F192 AromaticContact CE1-CZ 3.71Å; F94-F192 HydrophobicContact CE1-CZ 3.71Å
95V93.9Very high94.5Very high43 Ų4346.6 Ų46.626%0.26124%0.241SC..EExtended strand (participates in β ladder)trans-83148.7172.4-62.60000109.5A97 Y166 E167V95-A97 PolarHBondContact O-N 2.83Å; V95-Y166 CarbonylContact O-C 3.53Å; V95-Y166 VanDerWaalsContact O-CA 3.27Å; V95-Y166 WeakPolarHBondContact O-CA 3.47Å; V95-E167 HydrophobicContact CG2-CB 3.93Å; V95-E167 PolarHBondContact N-O 2.93Å; V95-E167 PolarHBondContact O-N 2.94Å
96A94Very high94.7Very high26 Ų2648.6 Ų48.622%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-69.4127.6168.600000109.3D98 Q118 K165A96-D98 VanDerWaalsContact C-N 3.34Å; A96-Q118 HydrophobicContact CB-CG 4.4Å; A96-K165 WeakPolarHBondContact CA-O 3.37Å
97A94.3Very high94.8Very high35 Ų3550.1 Ų50.129%0.28927%0.268SS..EExtended strand (participates in β ladder)trans-78.1-22.2-179.800000112.4V95 K165 Q191V95-A97 PolarHBondContact O-N 2.83Å; A97-K165 HydrophobicContact CB-CB 4.29Å; A97-K165 HydrophobicContact CB-CD 3.95Å; A97-K165 HydrophobicContact CB-CG 3.94Å; A97-K165 PolarHBondContact N-O 3.38Å; A97-Q191 HydrophobicContact CB-CG 4.31Å
98D92.2Very high94.9Very high32 Ų3252.8 Ų52.817%0.17128%0.28CS..EExtended strand (participates in β ladder)trans-154.8166.9168.863.875.9000111A96 H100 W102 K165A96-D98 VanDerWaalsContact C-N 3.34Å; D98-H100 VanDerWaalsContact C-N 3.32Å; D98-H100 PolarHBondContact O-N 3.05Å; D98-H100 VanDerWaalsContact OD1-CB 3.27Å; D98-H100 WeakPolarHBondContact OD1-CB 3.39Å; D98-H100 IonicContact OD1-CG 2.82Å; D98-H100 PolarHBondContact OD1-N 3.29Å; D98-H100 IonicContact OD1-ND1 3.74Å; D98-H100 PolarHBondContact OD1-ND1 3.43Å; D98-H100 VanDerWaalsContact OD1-ND1 3.1Å; D98-W102 PolarHBondContact OD1-NE1 2.83Å; D98-W102 WeakPolarHBondContact OD2-CZ2 3.42Å; D98-W102 PolarHBondContact OD2-NE1 3.36Å; D98-K165 WeakPolarHBondContact OD2-CD 3.3Å; D98-K165 WeakPolarHBondContact OD2-CE 3.32Å; D98-K165 IonicContact OD2-NZ 3.84Å; D98-K165 PolarHBondContact OD2-NZ 3.49Å
99N89.8Confident95Very high109 Ų10954.1 Ų54.158%0.58329%0.285SS*.EExtended strand (participates in β ladder)trans-90.816.6-177.6-71.7-43.5000113.7Q118N99-Q118 PolarHBondContact OD1-NE2 3.09Å
100H90.4Very high95Very high94 Ų9455.1 Ų55.144%0.43529%0.29SS..EExtended strand (participates in β ladder)trans-95.9142.4178-49.6100.6000111.5D98 W102 P111 H164D98-H100 VanDerWaalsContact C-N 3.32Å; D98-H100 PolarHBondContact O-N 3.05Å; D98-H100 VanDerWaalsContact OD1-CB 3.27Å; D98-H100 WeakPolarHBondContact OD1-CB 3.39Å; D98-H100 IonicContact OD1-CG 2.82Å; D98-H100 PolarHBondContact OD1-N 3.29Å; D98-H100 IonicContact OD1-ND1 3.74Å; D98-H100 PolarHBondContact OD1-ND1 3.43Å; D98-H100 VanDerWaalsContact OD1-ND1 3.1Å; H100-W102 PolarHBondContact O-NE1 2.78Å; H100-P111 HydrophobicContact CB-CB 3.94Å; H100-H164 PolarHBondContact O-CD2 3.48Å
101R94Very high94.8Very high103 Ų10358.4 Ų58.439%0.38931%0.311SS..EExtended strand (participates in β ladder)trans-78.6137.7151.6-170.9172.9171.4-165.8-4.6108.3G112 L163R101-G112 CarbonylContact O-C 3.6Å; R101-G112 PolarHBondContact O-N 3.26Å; R101-L163 CarbonylContact C-O 3.5Å; R101-L163 WeakPolarHBondContact CA-O 3.49Å; R101-L163 HydrophobicContact CG-CB 4.06Å
102W95.4Very high94.2Very high33 Ų3358.2 Ų58.213%0.12532%0.316CS..EExtended strand (participates in β ladder)trans-106.5158-175-70.278.6000111.5D98 H100 W109 L163 I193D98-W102 PolarHBondContact OD1-NE1 2.83Å; D98-W102 WeakPolarHBondContact OD2-CZ2 3.42Å; D98-W102 PolarHBondContact OD2-NE1 3.36Å; H100-W102 PolarHBondContact O-NE1 2.78Å; W102-W109 HydrophobicContact CB-CE3 3.79Å; W102-W109 HydrophobicContact CB-CZ3 3.82Å; W102-W109 HydrophobicContact CE3-CB 4.16Å; W102-W109 HydrophobicContact CZ3-CB 4.49Å; W102-W109 WeakPolarHBondContact CZ3-O 3.39Å; W102-L163 PolarHBondContact N-O 3.47Å; W102-L163 WeakPolarHBondContact O-CB 3.27Å; W102-I193 HydrophobicContact CB-CD1 4.12Å; W102-I193 HydrophobicContact CD2-CD1 4.1Å; W102-I193 HydrophobicContact CE3-CD1 4.29Å; W102-I193 HydrophobicContact CG-CD1 3.98Å
103K95.9Very high93.2Very high101 Ų10161.3 Ų61.344%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-141.4147.5169.560.6175.2-173.8172.10109.5V105 V110K103-V105 HydrophobicContact CB-CG2 4.46Å; K103-V105 HydrophobicContact CD-CG2 3.79Å; K103-V105 HydrophobicContact CG-CG2 3.98Å; K103-V110 HydrophobicContact CD-CG2 4.17Å; K103-V110 HydrophobicContact CG-CG2 3.63Å; K103-V110 PolarHBondContact N-O 3.12Å; K103-V110 PolarHBondContact O-N 3.22Å
104Y97.1Very high92.2Very high58 Ų5870.3 Ų70.323%0.22739%0.388CS..EExtended strand (participates in β ladder)trans-97.7124.4172.1-165-110.8000109G107 E108 W109 Q199 N200Y104-G107 VanDerWaalsContact CE2-O 3.32Å; Y104-G107 WeakPolarHBondContact CE2-O 3.32Å; Y104-G107 VanDerWaalsContact CZ-C 3.48Å; Y104-G107 PolarHBondContact OH-O 2.91Å; Y104-E108 WeakPolarHBondContact CA-O 3.44Å; Y104-W109 HydrophobicContact CD2-CB 4.47Å; Y104-W109 AromaticContact CD2-CD1 3.6Å; Y104-W109 AromaticContact CD2-CD2 3.85Å; Y104-W109 HydrophobicContact CD2-CD2 3.85Å; Y104-W109 AromaticContact CD2-CE2 3.85Å; Y104-W109 AromaticContact CD2-CG 3.74Å; Y104-W109 HydrophobicContact CD2-CG 3.74Å; Y104-W109 AromaticContact CD2-NE1 3.64Å; Y104-W109 AromaticContact CE2-CD1 3.84Å; Y104-W109 HydrophobicContact CE2-CG 4.36Å; Y104-Q199 HydrophobicContact CD1-CB 3.71Å; Y104-Q199 HydrophobicContact CD2-CB 4.22Å; Y104-Q199 HydrophobicContact CE1-CB 4.37Å; Y104-Q199 WeakPolarHBondContact CE1-O 3.47Å; Y104-Q199 HydrophobicContact CG-CB 3.6Å; Y104-N200 HydrophobicContact CE2-CB 4.07Å; Y104-N200 WeakPolarHBondContact OH-CA 3.5Å
105V96.5Very high91.1Very high58 Ų5874.5 Ų74.535%0.35242%0.416SS..EExtended strand (participates in β ladder)trans-145.8133.7-176.8-1770000108.6K103 G107 E108K103-V105 HydrophobicContact CB-CG2 4.46Å; K103-V105 HydrophobicContact CD-CG2 3.79Å; K103-V105 HydrophobicContact CG-CG2 3.98Å; V105-G107 PolarHBondContact O-N 2.92Å; V105-G107 VanDerWaalsContact O-N 3.09Å; V105-E108 PolarHBondContact N-O 2.96Å; V105-E108 PolarHBondContact O-N 2.92Å
106N94.9Very high90.2Very high167 Ų16776.8 Ų76.889%0.89342%0.424SS*.THydrogen-bonded Turntrans54.326177.2-57.8-6.2000115.4
107G95.1Very high89.3Confident46 Ų4680.9 Ų80.947%0.47445%0.448SS..THydrogen-bonded Turntrans92.6-1.7-176.500000114.9Y104 V105Y104-G107 VanDerWaalsContact CE2-O 3.32Å; Y104-G107 WeakPolarHBondContact CE2-O 3.32Å; Y104-G107 VanDerWaalsContact CZ-C 3.48Å; Y104-G107 PolarHBondContact OH-O 2.91Å; V105-G107 PolarHBondContact O-N 2.92Å; V105-G107 VanDerWaalsContact O-N 3.09Å
108E96.6Very high88Confident136 Ų13684.2 Ų84.264%0.63646%0.458SS*.EExtended strand (participates in β ladder)trans-119.6142.8-176.5-64.4-172154.700113.1Y104 V105 V110Y104-E108 WeakPolarHBondContact CA-O 3.44Å; V105-E108 PolarHBondContact N-O 2.96Å; V105-E108 PolarHBondContact O-N 2.92Å; E108-V110 HydrophobicContact CB-CG1 4.32Å
109W97.3Very high86.8Confident28 Ų2883.7 Ų83.711%0.10646%0.458CS..EExtended strand (participates in β ladder)trans-82.5113.9168.1-85.4110.4000110T59 E61 W102 Y104 L163 I193 V195 Q199T59-W109 HydrophobicContact CG2-CB 4.31Å; T59-W109 HydrophobicContact CG2-CG 3.99Å; E61-W109 HydrophobicContact CG-CZ2 4.16Å; E61-W109 WeakPolarHBondContact OE1-CZ2 3.25Å; E61-W109 PolarHBondContact OE1-NE1 2.8Å; W102-W109 HydrophobicContact CB-CE3 3.79Å; W102-W109 HydrophobicContact CB-CZ3 3.82Å; W102-W109 HydrophobicContact CE3-CB 4.16Å; W102-W109 HydrophobicContact CZ3-CB 4.49Å; W102-W109 WeakPolarHBondContact CZ3-O 3.39Å; Y104-W109 HydrophobicContact CD2-CB 4.47Å; Y104-W109 AromaticContact CD2-CD1 3.6Å; Y104-W109 AromaticContact CD2-CD2 3.85Å; Y104-W109 HydrophobicContact CD2-CD2 3.85Å; Y104-W109 AromaticContact CD2-CE2 3.85Å; Y104-W109 AromaticContact CD2-CG 3.74Å; Y104-W109 HydrophobicContact CD2-CG 3.74Å; Y104-W109 AromaticContact CD2-NE1 3.64Å; Y104-W109 AromaticContact CE2-CD1 3.84Å; Y104-W109 HydrophobicContact CE2-CG 4.36Å; W109-L163 HydrophobicContact CH2-CD2 3.89Å; W109-L163 HydrophobicContact CZ3-CD2 4.07Å; W109-I193 HydrophobicContact CB-CD1 4.38Å; W109-I193 HydrophobicContact CD2-CD1 3.54Å; W109-I193 HydrophobicContact CE3-CD1 3.66Å; W109-I193 HydrophobicContact CG-CD1 3.9Å; W109-I193 HydrophobicContact CH2-CD1 4.42Å; W109-I193 HydrophobicContact CH2-CG2 3.76Å; W109-I193 HydrophobicContact CZ2-CB 4.44Å; W109-I193 HydrophobicContact CZ2-CD1 4.35Å; W109-I193 HydrophobicContact CZ2-CG2 4.17Å; W109-I193 HydrophobicContact CZ3-CD1 4.1Å; W109-I193 HydrophobicContact CZ3-CG2 4.03Å; W109-V195 HydrophobicContact CH2-CG1 3.79Å; W109-V195 HydrophobicContact CZ2-CG1 3.89Å; W109-Q199 HydrophobicContact CH2-CB 4.29Å; W109-Q199 HydrophobicContact CH2-CG 3.67Å; W109-Q199 HydrophobicContact CZ2-CB 3.74Å; W109-Q199 HydrophobicContact CZ2-CG 3.56Å
110V96.1Very high85.7Confident44 Ų4481.4 Ų81.427%0.26745%0.449SS..EExtended strand (participates in β ladder)trans-123.5147.9179.7-59.20000111.7K103 E108K103-V110 HydrophobicContact CD-CG2 4.17Å; K103-V110 HydrophobicContact CG-CG2 3.63Å; K103-V110 PolarHBondContact N-O 3.12Å; K103-V110 PolarHBondContact O-N 3.22Å; E108-V110 HydrophobicContact CB-CG1 4.32Å
111P94.6Very high84.5Confident69 Ų6978.7 Ų78.745%0.44844%0.441SS..EExtended strand (participates in β ladder)trans-64.9141.9172.128-34.5000110.4H100H100-P111 HydrophobicContact CB-CB 3.94Å
112G83.9Confident83.9Confident27 Ų2776.2 Ų76.228%0.27844%0.439SS..  trans-171.1105.5-174.400000114.3R101R101-G112 CarbonylContact O-C 3.6Å; R101-G112 PolarHBondContact O-N 3.26Å
113G75.6Confident83.6Confident66 Ų6676.7 Ų76.768%0.6845%0.445SS*.SBendtrans142.3176.9174.400000112
114K74.3Confident83.5Confident190 Ų19073.2 Ų73.283%0.82643%0.43SS*.SBendtrans-76.4145.9160.2-64.9-176.2178.1-176.40108.3E116K114-E116 PolarHBondContact O-N 3.49Å
115P70.6Confident83.4Confident99 Ų9975.4 Ų75.464%0.64344%0.444SS*.PPolyproline II helixtrans-53.6128.8170.4-25.935.2000110.7
116E75.9Confident83.5Confident91 Ų9173.2 Ų73.243%0.42543%0.43SS..PPolyproline II helixtrans-92141.8174.3-165.1165.8179.300108.6K114 Q118 H164K114-E116 PolarHBondContact O-N 3.49Å; E116-Q118 PolarHBondContact O-N 2.94Å; E116-H164 IonicContact OE2-CE1 3.38Å; E116-H164 PolarHBondContact OE2-CE1 2.73Å
117P74.1Confident83.6Confident112 Ų11268.4 Ų68.473%0.72741%0.408SS*.PPolyproline II helixtrans-54.5128.8175.5-26.235.4000110.9A119 N161P117-A119 PolarHBondContact O-N 2.86Å; P117-N161 PolarHBondContact O-ND2 3.5Å; P117-N161 VanDerWaalsContact O-ND2 3.12Å
118Q67.6Low83.7Confident106 Ų10669.1 Ų69.150%0.49540%0.401SS..PPolyproline II helixtrans-61.1139.6-179.4-63.7-169.518.400110.2A96 N99 E116A96-Q118 HydrophobicContact CB-CG 4.4Å; N99-Q118 PolarHBondContact OD1-NE2 3.09Å; E116-Q118 PolarHBondContact O-N 2.94Å
119A66.7Low83.7Confident20 Ų2063.8 Ų63.817%0.16538%0.379CS..PPolyproline II helixtrans-56.2140.5171.200000110.3P117 S121 M159P117-A119 PolarHBondContact O-N 2.86Å; A119-S121 PolarHBondContact O-N 3.21Å; A119-M159 HydrophobicContact CB-CE 3.5Å; A119-M159 VanDerWaalsContact CB-CE 3.5Å; A119-M159 HydrophobicContact CB-SD 4.32Å
120P66.6Low83.7Confident61 Ų6166 Ų6640%0.39640%0.396SS..PPolyproline II helixtrans-57.4132173.8-22.132.4000110.5C122P120-C122 PolarHBondContact O-N 3.36Å
121S65.9Low83.8Confident38 Ų3865.9 Ų65.927%0.26639%0.394SS..PPolyproline II helixtrans-60.5124.1-178.5-174.40000110.1D93 A119D93-S121 PolarHBondContact OD2-OG 2.96Å; A119-S121 PolarHBondContact O-N 3.21Å
122C82.2Confident83.8Confident51 Ų5167.8 Ų67.835%0.34540%0.396SS..  trans-112.8117177.3-170.50000107.9P120 I158P120-C122 PolarHBondContact O-N 3.36Å; C122-I158 HydrophobicContact CB-CG2 4.47Å; C122-I158 WeakPolarHBondContact O-CD1 3.29Å; C122-I158 VanDerWaalsContact O-CG1 3.26Å; C122-I158 WeakPolarHBondContact O-CG1 3.26Å
123V89.3Confident84.4Confident43 Ų4366.5 Ų66.526%0.26138%0.382SS..PPolyproline II helixtrans-90.8129.4-174.3-172.10000110.6L21 L91 D93L21-V123 HydrophobicContact CD2-CG2 3.92Å; L91-V123 HydrophobicContact CB-CG1 3.63Å; L91-V123 HydrophobicContact CD2-CG1 3.64Å; L91-V123 HydrophobicContact CG-CG1 4.26Å; D93-V123 HydrophobicContact CB-CG2 4.19Å
124Y93.9Very high85.4Confident28 Ų2865.8 Ų65.811%0.1137%0.37CS..EExtended strand (participates in β ladder)trans-93120.4170.8175.9-95.9000109.9L91 L92 F143 K145 V146 I158L91-Y124 CarbonylContact C-O 3.56Å; L91-Y124 VanDerWaalsContact CA-O 3.29Å; L91-Y124 WeakPolarHBondContact CA-O 3.47Å; L92-Y124 HydrophobicContact CB-CD1 4.44Å; L92-Y124 PolarHBondContact N-O 3Å; L92-Y124 PolarHBondContact O-N 3.45Å; Y124-F143 AromaticContact CD1-CD1 3.9Å; Y124-F143 HydrophobicContact CD1-CD1 3.9Å; Y124-F143 HydrophobicContact CD1-CE1 4.42Å; Y124-F143 AromaticContact CE1-CD1 3.95Å; Y124-F143 HydrophobicContact CE1-CD1 3.95Å; Y124-K145 WeakPolarHBondContact OH-CB 3.49Å; Y124-V146 HydrophobicContact CD1-CB 4.23Å; Y124-V146 HydrophobicContact CD1-CG2 4.1Å; Y124-V146 HydrophobicContact CD2-CB 4.33Å; Y124-V146 HydrophobicContact CD2-CG2 3.87Å; Y124-V146 HydrophobicContact CE1-CB 4.24Å; Y124-V146 HydrophobicContact CE2-CB 4.35Å; Y124-V146 HydrophobicContact CE2-CG2 4.37Å; Y124-V146 HydrophobicContact CG-CB 4.27Å; Y124-V146 HydrophobicContact CG-CG2 3.72Å; Y124-I158 VanDerWaalsContact CB-CD1 3.49Å
125I95Very high86.5Confident104 Ų10458.7 Ų58.753%0.53334%0.34SS..EExtended strand (participates in β ladder)trans-84.9128.6173.1-60.5167.8000108.4L91L91-I125 HydrophobicContact CD2-CG1 3.92Å; L91-I125 HydrophobicContact CG-CG1 4.35Å
126H97.1Very high87.8Confident11 Ų1154.1 Ų54.15%0.05131%0.31CS..PPolyproline II helixtrans-62.6130.5174.7-172.4-83.7000109.4F90 D128 S129 W136 S142 F143F90-H126 HydrophobicContact CB-CB 3.83Å; F90-H126 VanDerWaalsContact O-CB 3.3Å; F90-H126 WeakPolarHBondContact O-CB 3.39Å; F90-H126 PolarHBondContact O-N 2.85Å; H126-D128 IonicContact CE1-OD1 3.77Å; H126-D128 PolarHBondContact CE1-OD1 3.39Å; H126-D128 IonicContact CE1-OD2 3.48Å; H126-D128 PolarHBondContact ND1-N 2.87Å; H126-D128 IonicContact ND1-OD1 3.39Å; H126-D128 PolarHBondContact O-N 3.3Å; H126-S129 WeakPolarHBondContact O-CB 3.36Å; H126-S129 PolarHBondContact O-N 3.24Å; H126-S129 PolarHBondContact O-OG 2.59Å; H126-W136 HydrophobicContact CB-CH2 4.19Å; H126-W136 HydrophobicContact CB-CZ3 4.42Å; H126-W136 AromaticContact CE1-CZ3 3.88Å; H126-W136 AromaticContact CG-CZ3 3.92Å; H126-W136 AromaticContact ND1-CH2 3.51Å; H126-W136 AromaticContact ND1-CZ3 3.38Å; H126-W136 WeakPolarHBondContact ND1-CZ3 3.37Å; H126-S142 PolarHBondContact NE2-O 3.39Å; H126-F143 HydrophobicContact CB-CE1 3.97Å; H126-F143 AromaticContact CD2-CE1 3.99Å
127P96.6Very high88.9Confident67 Ų6752.5 Ų52.544%0.43530%0.303SS..THydrogen-bonded Turntrans-66.3-18-165.325.3-36000114.9S129 K145P127-S129 PolarHBondContact O-N 2.9Å; P127-K145 HydrophobicContact CG-CD 3.88Å
128D97.6Very high90Very high61 Ų6154 Ų5433%0.32630%0.298SS..THydrogen-bonded Turntrans-78.7-4.5174.7-61.232.7000112.8H126 P130 N131 H135 W136H126-D128 IonicContact CE1-OD1 3.77Å; H126-D128 PolarHBondContact CE1-OD1 3.39Å; H126-D128 IonicContact CE1-OD2 3.48Å; H126-D128 PolarHBondContact ND1-N 2.87Å; H126-D128 IonicContact ND1-OD1 3.39Å; H126-D128 PolarHBondContact O-N 3.3Å; D128-P130 CarbonylContact O-C 3.56Å; D128-N131 WeakPolarHBondContact O-CB 3.29Å; D128-N131 PolarHBondContact O-ND2 2.8Å; D128-H135 IonicContact OD2-CE1 3.75Å; D128-H135 PolarHBondContact OD2-CE1 3.15Å; D128-H135 IonicContact OD2-NE2 2.63Å; D128-H135 PolarHBondContact OD2-NE2 3.49Å; D128-W136 HydrophobicContact CB-CH2 3.86Å; D128-W136 HydrophobicContact CB-CZ3 4.2Å
129S96.8Very high91.4Very high24 Ų2451.6 Ų51.617%0.16830%0.296CS..  trans-82143.6-175.9-51.70000113.3F90 H126 P127 W136F90-S129 PolarHBondContact N-OG 3.43Å; F90-S129 VanDerWaalsContact N-OG 3.09Å; F90-S129 PolarHBondContact O-OG 3.05Å; H126-S129 WeakPolarHBondContact O-CB 3.36Å; H126-S129 PolarHBondContact O-N 3.24Å; H126-S129 PolarHBondContact O-OG 2.59Å; P127-S129 PolarHBondContact O-N 2.9Å; S129-W136 WeakPolarHBondContact OG-CH2 3.33Å
130P97.1Very high93Very high73 Ų7353.3 Ų53.347%0.47431%0.305SS..SBendcis-76.5148.9-8.632.8-35.1000111.6Y88 D128 V175Y88-P130 CarbonylContact O-C 3.48Å; Y88-P130 WeakPolarHBondContact O-CA 3.4Å; D128-P130 CarbonylContact O-C 3.56Å; P130-V175 HydrophobicContact CB-CG1 4.36Å; P130-V175 HydrophobicContact CB-CG2 4.22Å
131N98Very high94.5Very high42 Ų4250.8 Ų50.823%0.22529%0.289CS..EExtended strand (participates in β ladder)trans-144.2163176-129.8-64.9000113M87 Y88 D128 H135 W136M87-N131 CarbonylContact C-O 3.53Å; M87-N131 WeakPolarHBondContact CA-O 3.17Å; Y88-N131 PolarHBondContact N-O 3.02Å; Y88-N131 PolarHBondContact O-N 2.89Å; D128-N131 WeakPolarHBondContact O-CB 3.29Å; D128-N131 PolarHBondContact O-ND2 2.8Å; N131-H135 HydrophobicContact CB-CB 4.04Å; N131-H135 VanDerWaalsContact CG-CG 3.41Å; N131-H135 WeakPolarHBondContact OD1-CB 3.44Å; N131-H135 VanDerWaalsContact OD1-CG 3.27Å; N131-W136 HydrophobicContact CB-CZ2 3.75Å; N131-W136 PolarHBondContact O-NE1 3.44Å
132F96.3Very high96Very high109 Ų10950.8 Ų50.848%0.47829%0.289SS..EExtended strand (participates in β ladder)trans-65.3149.4178.6-69.2-70.8000112.7N85 A86 M87 A134 H135 W136N85-F132 VanDerWaalsContact O-CD1 3.28Å; N85-F132 WeakPolarHBondContact O-CD1 3.33Å; N85-F132 WeakPolarHBondContact O-CE1 3.15Å; A86-F132 CarbonylContact O-C 3.57Å; A86-F132 VanDerWaalsContact O-CA 3.28Å; A86-F132 WeakPolarHBondContact O-CA 3.45Å; M87-F132 HydrophobicContact CG-CD1 4.17Å; M87-F132 HydrophobicContact CG-CE1 4.06Å; F132-A134 PolarHBondContact O-N 3.32Å; F132-H135 WeakPolarHBondContact O-CA 3.38Å; F132-H135 WeakPolarHBondContact O-CB 3.43Å; F132-H135 PolarHBondContact O-N 2.93Å; F132-W136 PolarHBondContact O-N 3.27Å
133G95.2Very high96.8Very high0 Ų048.4 Ų48.40%027%0.273CS..Hα-helixtrans-52.7-38.4173.200000112.5D83 P84 A86 H135 W136 M137D83-G133 WeakPolarHBondContact O-CA 3.36Å; P84-G133 PolarHBondContact O-N 3.18Å; A86-G133 PolarHBondContact O-N 2.85Å; G133-H135 VanDerWaalsContact C-N 3.28Å; G133-H135 PolarHBondContact O-N 3.31Å; G133-W136 PolarHBondContact O-N 3.24Å; G133-W136 VanDerWaalsContact O-N 3.17Å; G133-M137 WeakPolarHBondContact O-CG 3.42Å; G133-M137 PolarHBondContact O-N 3.12Å
134A96.5Very high97.2Very high52 Ų5248.4 Ų48.443%0.4328%0.275SS..Hα-helixtrans-59.8-31.617300000113.9P84 F132 K138P84-A134 HydrophobicContact CB-CB 4.13Å; P84-A134 WeakPolarHBondContact O-CB 3.3Å; P84-A134 PolarHBondContact O-N 3.47Å; F132-A134 PolarHBondContact O-N 3.32Å; A134-K138 PolarHBondContact O-N 3.34Å
135H98.2Very high97.2Very high41 Ų4152.6 Ų52.619%0.1929%0.294CS..Hα-helixtrans-71.8-39.3175.1175.197.5000111.9D128 N131 F132 G133 K138D128-H135 IonicContact OD2-CE1 3.75Å; D128-H135 PolarHBondContact OD2-CE1 3.15Å; D128-H135 IonicContact OD2-NE2 2.63Å; D128-H135 PolarHBondContact OD2-NE2 3.49Å; N131-H135 HydrophobicContact CB-CB 4.04Å; N131-H135 VanDerWaalsContact CG-CG 3.41Å; N131-H135 WeakPolarHBondContact OD1-CB 3.44Å; N131-H135 VanDerWaalsContact OD1-CG 3.27Å; F132-H135 WeakPolarHBondContact O-CA 3.38Å; F132-H135 WeakPolarHBondContact O-CB 3.43Å; F132-H135 PolarHBondContact O-N 2.93Å; G133-H135 VanDerWaalsContact C-N 3.28Å; G133-H135 PolarHBondContact O-N 3.31Å; H135-K138 PolarHBondContact CE1-NZ 3.17Å; H135-K138 VanDerWaalsContact CE1-NZ 3.3Å; H135-K138 PolarHBondContact ND1-NZ 3.15Å; H135-K138 WeakPolarHBondContact O-CD 3.42Å; H135-K138 WeakPolarHBondContact O-CE 3.39Å; H135-K138 WeakPolarHBondContact O-CG 3.38Å
136W98.1Very high97.2Very high3 Ų347.7 Ų47.71%0.01127%0.269CS..Hα-helixtrans-75.1-30.5-178.5-60114.4000113.5L82 Y88 F90 H126 D128 S129 N131 F132 G133 V141L82-W136 HydrophobicContact CD1-CB 4.01Å; Y88-W136 PolarHBondContact O-NE1 2.8Å; Y88-W136 VanDerWaalsContact O-NE1 3.12Å; F90-W136 HydrophobicContact CB-CE3 4.41Å; F90-W136 HydrophobicContact CB-CH2 3.83Å; F90-W136 HydrophobicContact CB-CZ2 4.3Å; F90-W136 HydrophobicContact CB-CZ3 3.89Å; F90-W136 HydrophobicContact CD1-CE3 4.5Å; F90-W136 AromaticContact CD2-CD2 3.35Å; F90-W136 HydrophobicContact CD2-CD2 3.35Å; F90-W136 AromaticContact CD2-CE2 3.46Å; F90-W136 VanDerWaalsContact CD2-CE2 3.46Å; F90-W136 AromaticContact CD2-CE3 3.58Å; F90-W136 HydrophobicContact CD2-CE3 3.58Å; F90-W136 AromaticContact CD2-CG 3.84Å; F90-W136 HydrophobicContact CD2-CG 3.84Å; F90-W136 AromaticContact CD2-CH2 3.98Å; F90-W136 HydrophobicContact CD2-CH2 3.98Å; F90-W136 AromaticContact CD2-CZ2 3.78Å; F90-W136 HydrophobicContact CD2-CZ2 3.78Å; F90-W136 AromaticContact CD2-CZ3 3.88Å; F90-W136 HydrophobicContact CD2-CZ3 3.88Å; F90-W136 AromaticContact CD2-NE1 3.95Å; F90-W136 HydrophobicContact CE2-CB 3.8Å; F90-W136 AromaticContact CE2-CD1 3.76Å; F90-W136 AromaticContact CE2-CD2 3.46Å; F90-W136 HydrophobicContact CE2-CD2 3.46Å; F90-W136 VanDerWaalsContact CE2-CD2 3.46Å; F90-W136 AromaticContact CE2-CE2 3.88Å; F90-W136 AromaticContact CE2-CE3 3.91Å; F90-W136 HydrophobicContact CE2-CE3 3.91Å; F90-W136 AromaticContact CE2-CG 3.4Å; F90-W136 HydrophobicContact CE2-CG 3.4Å; F90-W136 HydrophobicContact CG-CD2 4.17Å; F90-W136 AromaticContact CG-CE3 3.91Å; F90-W136 HydrophobicContact CG-CE3 3.91Å; F90-W136 HydrophobicContact CG-CH2 4.15Å; F90-W136 HydrophobicContact CG-CZ2 4.4Å; F90-W136 AromaticContact CG-CZ3 3.9Å; F90-W136 HydrophobicContact CG-CZ3 3.9Å; F90-W136 HydrophobicContact CZ-CB 4.09Å; F90-W136 HydrophobicContact CZ-CD2 4.33Å; F90-W136 HydrophobicContact CZ-CE3 4.49Å; F90-W136 HydrophobicContact CZ-CG 4.17Å; H126-W136 HydrophobicContact CB-CH2 4.19Å; H126-W136 HydrophobicContact CB-CZ3 4.42Å; H126-W136 AromaticContact CE1-CZ3 3.88Å; H126-W136 AromaticContact CG-CZ3 3.92Å; H126-W136 AromaticContact ND1-CH2 3.51Å; H126-W136 AromaticContact ND1-CZ3 3.38Å; H126-W136 WeakPolarHBondContact ND1-CZ3 3.37Å; D128-W136 HydrophobicContact CB-CH2 3.86Å; D128-W136 HydrophobicContact CB-CZ3 4.2Å; S129-W136 WeakPolarHBondContact OG-CH2 3.33Å; N131-W136 HydrophobicContact CB-CZ2 3.75Å; N131-W136 PolarHBondContact O-NE1 3.44Å; F132-W136 PolarHBondContact O-N 3.27Å; G133-W136 PolarHBondContact O-N 3.24Å; G133-W136 VanDerWaalsContact O-N 3.17Å; W136-V141 HydrophobicContact CE3-CG1 3.99Å; W136-V141 HydrophobicContact CE3-CG2 3.85Å; W136-V141 HydrophobicContact CZ3-CG1 3.85Å
137M97.8Very high97.2Very high57 Ų5750.9 Ų50.928%0.28128%0.282SS..Hα-helixtrans-88-13-178.8-62.4-172.3-70.500114.5V79 G81 L82 P84 G133 A139V79-M137 WeakPolarHBondContact O-CG 3.26Å; G81-M137 PolarHBondContact N-SD 2.94Å; L82-M137 HydrophobicContact CB-CE 4.05Å; L82-M137 HydrophobicContact CB-CG 4.39Å; L82-M137 HydrophobicContact CB-SD 3.88Å; L82-M137 HydrophobicContact CD1-CG 4.29Å; L82-M137 HydrophobicContact CG-CG 4.47Å; L82-M137 HydrophobicContact CG-SD 4.4Å; L82-M137 PolarHBondContact N-SD 3.1Å; L82-M137 WeakPolarHBondContact O-CE 3.29Å; P84-M137 HydrophobicContact CG-CE 4.11Å; G133-M137 WeakPolarHBondContact O-CG 3.42Å; G133-M137 PolarHBondContact O-N 3.12Å; M137-A139 VanDerWaalsContact C-N 3.34Å; M137-A139 PolarHBondContact O-N 3.46Å
138K97.7Very high97.1Very high144 Ų14447.8 Ų47.863%0.62626%0.262SS*.SBendtrans-72.3-21.6-174.678.3-164.9173.5-172.70115.1A134 H135A134-K138 PolarHBondContact O-N 3.34Å; H135-K138 PolarHBondContact CE1-NZ 3.17Å; H135-K138 VanDerWaalsContact CE1-NZ 3.3Å; H135-K138 PolarHBondContact ND1-NZ 3.15Å; H135-K138 WeakPolarHBondContact O-CD 3.42Å; H135-K138 WeakPolarHBondContact O-CE 3.39Å; H135-K138 WeakPolarHBondContact O-CG 3.38Å
139A98.1Very high97Very high54 Ų5444.9 Ų44.945%0.44625%0.247SC..SBendtrans-164.9160.1-173.500000109.9M137 V141M137-A139 VanDerWaalsContact C-N 3.34Å; M137-A139 PolarHBondContact O-N 3.46Å; A139-V141 PolarHBondContact O-N 3.18Å
140P98.5Very high96.8Very high56 Ų5645.7 Ų45.736%0.36425%0.249SC..  trans-61.2128.7-179.8-22.933.2000113.8E47 V77E47-P140 HydrophobicContact CG-CB 3.81Å; E47-P140 HydrophobicContact CG-CG 3.95Å; E47-P140 WeakPolarHBondContact OE1-CG 3.42Å; V77-P140 CarbonylContact O-C 3.57Å; V77-P140 VanDerWaalsContact O-CA 3.29Å; V77-P140 WeakPolarHBondContact O-CA 3.47Å
141V98.6Very high96.3Very high8 Ų848 Ų485%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-72.9128.3176.4-173.10000108.9K76 V77 V79 F90 W136 A139 F143K76-V141 CarbonylContact C-O 3.48Å; K76-V141 WeakPolarHBondContact CA-O 3.45Å; V77-V141 HydrophobicContact CG2-CB 4.07Å; V77-V141 PolarHBondContact N-O 2.85Å; V77-V141 PolarHBondContact O-N 2.94Å; V79-V141 HydrophobicContact CG2-CG2 4.12Å; F90-V141 HydrophobicContact CD1-CG1 3.99Å; F90-V141 HydrophobicContact CD1-CG2 4.44Å; F90-V141 HydrophobicContact CE1-CG2 4.16Å; F90-V141 HydrophobicContact CG-CG1 4.42Å; W136-V141 HydrophobicContact CE3-CG1 3.99Å; W136-V141 HydrophobicContact CE3-CG2 3.85Å; W136-V141 HydrophobicContact CZ3-CG1 3.85Å; A139-V141 PolarHBondContact O-N 3.18Å; V141-F143 HydrophobicContact CG1-CE2 4.13Å; V141-F143 HydrophobicContact CG1-CZ 4.39Å
142S98.4Very high95.4Very high38 Ų3852.3 Ų52.327%0.26627%0.274SS..EExtended strand (participates in β ladder)trans-130105.2-162.8177.60000113.4H126 S144H126-S142 PolarHBondContact NE2-O 3.39Å; S142-S144 PolarHBondContact O-N 2.79Å; S142-S144 PolarHBondContact O-OG 3.01Å
143F97.9Very high94.1Very high1 Ų150.4 Ų50.40%0.00427%0.269CS..  trans-76.120.9-178.9-65-90.2000113.8L75 F90 L92 Y124 H126 V141 K145 V146 I170L75-F143 HydrophobicContact CB-CB 4.43Å; L75-F143 HydrophobicContact CD2-CD2 4.35Å; L75-F143 HydrophobicContact CG-CD2 4.33Å; L75-F143 PolarHBondContact O-N 2.79Å; F90-F143 HydrophobicContact CB-CZ 4.42Å; L92-F143 HydrophobicContact CB-CD1 3.7Å; L92-F143 HydrophobicContact CB-CE1 3.6Å; L92-F143 HydrophobicContact CB-CG 4.49Å; L92-F143 HydrophobicContact CB-CZ 4.32Å; L92-F143 HydrophobicContact CD2-CB 3.9Å; L92-F143 HydrophobicContact CD2-CD1 3.72Å; L92-F143 HydrophobicContact CD2-CE1 4.45Å; L92-F143 HydrophobicContact CD2-CG 3.86Å; L92-F143 HydrophobicContact CG-CD1 4.34Å; Y124-F143 AromaticContact CD1-CD1 3.9Å; Y124-F143 HydrophobicContact CD1-CD1 3.9Å; Y124-F143 HydrophobicContact CD1-CE1 4.42Å; Y124-F143 AromaticContact CE1-CD1 3.95Å; Y124-F143 HydrophobicContact CE1-CD1 3.95Å; H126-F143 HydrophobicContact CB-CE1 3.97Å; H126-F143 AromaticContact CD2-CE1 3.99Å; V141-F143 HydrophobicContact CG1-CE2 4.13Å; V141-F143 HydrophobicContact CG1-CZ 4.39Å; F143-K145 PolarHBondContact O-N 2.89Å; F143-V146 WeakPolarHBondContact O-CB 3.39Å; F143-V146 VanDerWaalsContact O-CG1 3.28Å; F143-V146 WeakPolarHBondContact O-CG1 3.48Å; F143-V146 PolarHBondContact O-N 2.9Å; F143-I170 HydrophobicContact CD2-CD1 4.33Å; F143-I170 HydrophobicContact CE2-CD1 3.72Å; F143-I170 HydrophobicContact CE2-CG1 3.95Å; F143-I170 HydrophobicContact CE2-CG2 4.46Å; F143-I170 HydrophobicContact CZ-CD1 4.41Å; F143-I170 HydrophobicContact CZ-CG1 4.18Å; F143-I170 HydrophobicContact CZ-CG2 4.22Å
144S97.1Very high92.7Very high44 Ų4454.6 Ų54.631%0.30831%0.312SS..THydrogen-bonded Turntrans-47.1-22.1179.360.20000117R70 S142R70-S144 VanDerWaalsContact CD-O 3.24Å; R70-S144 WeakPolarHBondContact CD-O 3.47Å; R70-S144 PolarHBondContact NE-O 3.01Å; S142-S144 PolarHBondContact O-N 2.79Å; S142-S144 PolarHBondContact O-OG 3.01Å
145K95.4Very high91.4Very high115 Ų11554.7 Ų54.750%0.532%0.318SS..THydrogen-bonded Turntrans-93.7-11.6-178.3-69.2163.9-177168.60113.5Y124 P127 F143Y124-K145 WeakPolarHBondContact OH-CB 3.49Å; P127-K145 HydrophobicContact CG-CD 3.88Å; F143-K145 PolarHBondContact O-N 2.89Å
146V95.2Very high90.3Very high2 Ų255.5 Ų55.51%0.01234%0.337CS..  trans-61.1149.4178.378.70000111.3M71 L92 Y124 F143 I158M71-V146 HydrophobicContact CE-CG1 3.96Å; M71-V146 HydrophobicContact CG-CG1 4.09Å; M71-V146 HydrophobicContact SD-CG1 4.35Å; L92-V146 HydrophobicContact CD2-CB 4.46Å; L92-V146 HydrophobicContact CD2-CG1 4.35Å; L92-V146 HydrophobicContact CD2-CG2 4.26Å; Y124-V146 HydrophobicContact CD1-CB 4.23Å; Y124-V146 HydrophobicContact CD1-CG2 4.1Å; Y124-V146 HydrophobicContact CD2-CB 4.33Å; Y124-V146 HydrophobicContact CD2-CG2 3.87Å; Y124-V146 HydrophobicContact CE1-CB 4.24Å; Y124-V146 HydrophobicContact CE2-CB 4.35Å; Y124-V146 HydrophobicContact CE2-CG2 4.37Å; Y124-V146 HydrophobicContact CG-CB 4.27Å; Y124-V146 HydrophobicContact CG-CG2 3.72Å; F143-V146 WeakPolarHBondContact O-CB 3.39Å; F143-V146 VanDerWaalsContact O-CG1 3.28Å; F143-V146 WeakPolarHBondContact O-CG1 3.48Å; F143-V146 PolarHBondContact O-N 2.9Å; V146-I158 HydrophobicContact CG2-CD1 4.19Å
147K95.4Very high89.9Confident78 Ų7857.1 Ų57.134%0.33935%0.345SS..  trans-133.2126.4-180-83.5-176.5162.3-156.50111N67 G68 R69 Q157 I158N67-K147 PolarHBondContact O-NZ 3.31Å; N67-K147 VanDerWaalsContact O-NZ 3.09Å; G68-K147 WeakPolarHBondContact O-CD 3.44Å; G68-K147 VanDerWaalsContact O-CE 3.28Å; G68-K147 WeakPolarHBondContact O-CE 3.36Å; G68-K147 PolarHBondContact O-NZ 2.83Å; R69-K147 CarbonylContact O-C 3.48Å; R69-K147 WeakPolarHBondContact O-CA 3.22Å; K147-Q157 HydrophobicContact CB-CB 4.33Å; K147-Q157 HydrophobicContact CB-CG 4.03Å; K147-Q157 HydrophobicContact CD-CG 4.36Å; K147-Q157 WeakPolarHBondContact O-CA 3.34Å; K147-I158 PolarHBondContact O-N 2.93Å
148L95.8Very high89.6Confident1 Ų154.6 Ų54.61%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-95.7130.2175.8-48.2-176.7000110.2M62 V64 G68 R69 M71 F94 I158 L160 F192M62-L148 HydrophobicContact CB-CD1 3.99Å; M62-L148 HydrophobicContact CG-CD1 4.42Å; V64-L148 HydrophobicContact CG1-CB 3.81Å; G68-L148 WeakPolarHBondContact CA-O 3.48Å; R69-L148 PolarHBondContact N-O 2.84Å; R69-L148 PolarHBondContact O-N 2.82Å; M71-L148 HydrophobicContact CG-CD1 3.74Å; M71-L148 HydrophobicContact CG-CD2 4.48Å; M71-L148 HydrophobicContact CG-CG 4.01Å; M71-L148 HydrophobicContact SD-CD1 4.05Å; M71-L148 HydrophobicContact SD-CD2 4.5Å; F94-L148 HydrophobicContact CE1-CD2 4.4Å; F94-L148 HydrophobicContact CE2-CD2 3.82Å; F94-L148 HydrophobicContact CZ-CD2 3.74Å; L148-I158 WeakPolarHBondContact CA-O 3.47Å; L148-I158 HydrophobicContact CD2-CB 4.38Å; L148-L160 HydrophobicContact CB-CD1 4.36Å; L148-L160 HydrophobicContact CD1-CD1 3.94Å; L148-L160 HydrophobicContact CD2-CD1 4.04Å; L148-L160 HydrophobicContact CG-CD1 4.33Å; L148-F192 HydrophobicContact CD1-CE2 4.13Å; L148-F192 HydrophobicContact CD1-CZ 3.99Å
149T94.6Very high89.4Confident1 Ų148.9 Ų48.91%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-132.8161.3-178.1-174.40000111.7T65 K151 N153 Q157 I158 M159 L160T65-T149 WeakPolarHBondContact O-CA 3.49Å; T65-T149 VanDerWaalsContact O-CB 3.31Å; T65-T149 WeakPolarHBondContact O-CB 3.42Å; T65-T149 PolarHBondContact O-OG1 3.48Å; T149-K151 WeakPolarHBondContact CG2-O 3.44Å; T149-K151 PolarHBondContact OG1-N 2.77Å; T149-N153 PolarHBondContact OG1-ND2 3.23Å; T149-Q157 HydrophobicContact CG2-CB 3.73Å; T149-I158 WeakPolarHBondContact CG2-O 3.42Å; T149-I158 PolarHBondContact N-O 3.22Å; T149-M159 HydrophobicContact CG2-CB 4.21Å; T149-M159 HydrophobicContact CG2-CG 4.41Å; T149-M159 CarbonylContact O-C 3.54Å; T149-M159 VanDerWaalsContact O-CA 3.32Å; T149-M159 WeakPolarHBondContact O-CA 3.22Å; T149-L160 PolarHBondContact O-N 3.38Å
150N92.5Very high89.2Confident40 Ų4046.5 Ų46.521%0.21429%0.288CS..SBendtrans-11021172.764.5-8.9000112.4V64V64-N150 HydrophobicContact CB-CB 4.35Å; V64-N150 HydrophobicContact CG2-CB 4.02Å
151K87.6Confident88.9Confident121 Ų12145.1 Ų45.153%0.52628%0.277SS..SBendtrans-142.8143175.4-63.8-63.1160.7-156.60111.9T149 N153T149-K151 WeakPolarHBondContact CG2-O 3.44Å; T149-K151 PolarHBondContact OG1-N 2.77Å; K151-N153 WeakPolarHBondContact CB-OD1 3.27Å; K151-N153 PolarHBondContact O-N 2.96Å; K151-N153 PolarHBondContact O-OD1 2.91Å
152L79.4Confident88.7Confident133 Ų13346.3 Ų46.370%0.69629%0.286SS*.  trans-77.3101.7175.6-67.3171.2000109.5M159L152-M159 HydrophobicContact CD2-CB 3.76Å; L152-M159 HydrophobicContact CD2-CE 3.91Å; L152-M159 HydrophobicContact CD2-CG 3.9Å; L152-M159 HydrophobicContact CG-CE 4.09Å; L152-M159 HydrophobicContact CG-CG 4.16Å
153N68.8Low88.6Confident70 Ų7046.4 Ų46.437%0.37428%0.283SS..  trans-113.9-2.5-169.2-63.6-23000114.8K66 T149 K151 G155 Q157K66-N153 PolarHBondContact O-ND2 2.9Å; T149-N153 PolarHBondContact OG1-ND2 3.23Å; K151-N153 WeakPolarHBondContact CB-OD1 3.27Å; K151-N153 PolarHBondContact O-N 2.96Å; K151-N153 PolarHBondContact O-OD1 2.91Å; N153-G155 PolarHBondContact O-N 2.92Å; N153-Q157 PolarHBondContact ND2-OE1 3.07Å
154G65.8Low88.4Confident88 Ų8847 Ų4791%0.90729%0.286SS*.SBendtrans66.9-4.7179.600000117.3G156G154-G156 PolarHBondContact O-N 3.45Å
155G68.1Low88.4Confident53 Ų5346.5 Ų46.555%0.54628%0.279SS..SBendtrans-100.142-168.100000116.6N153 Q157N153-G155 PolarHBondContact O-N 2.92Å; G155-Q157 VanDerWaalsContact C-N 3.28Å; G155-Q157 PolarHBondContact O-N 3.45Å
156G75.5Confident88.5Confident58 Ų5841.5 Ų41.560%0.59826%0.257SS*.SBendtrans64.229.9179.300000114.5G154G154-G156 PolarHBondContact O-N 3.45Å
157Q89.6Confident88.6Confident38 Ų3842.6 Ų42.618%0.17826%0.262CS..  trans-111.7138.1178.3-54.4175.414.900108.3N67 K147 T149 N153 G155N67-Q157 PolarHBondContact O-NE2 3.35Å; K147-Q157 HydrophobicContact CB-CB 4.33Å; K147-Q157 HydrophobicContact CB-CG 4.03Å; K147-Q157 HydrophobicContact CD-CG 4.36Å; K147-Q157 WeakPolarHBondContact O-CA 3.34Å; T149-Q157 HydrophobicContact CG2-CB 3.73Å; N153-Q157 PolarHBondContact ND2-OE1 3.07Å; G155-Q157 VanDerWaalsContact C-N 3.28Å; G155-Q157 PolarHBondContact O-N 3.45Å
158I92.3Very high88.7Confident4 Ų439 Ų392%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-86.1127.2176.8-64.9-178.7000108.8F94 C122 Y124 V146 K147 L148 T149 L160F94-I158 HydrophobicContact CD2-CD1 3.8Å; F94-I158 HydrophobicContact CD2-CG2 3.87Å; F94-I158 HydrophobicContact CE2-CD1 3.61Å; F94-I158 HydrophobicContact CE2-CG2 4.33Å; C122-I158 HydrophobicContact CB-CG2 4.47Å; C122-I158 WeakPolarHBondContact O-CD1 3.29Å; C122-I158 VanDerWaalsContact O-CG1 3.26Å; C122-I158 WeakPolarHBondContact O-CG1 3.26Å; Y124-I158 VanDerWaalsContact CB-CD1 3.49Å; V146-I158 HydrophobicContact CG2-CD1 4.19Å; K147-I158 PolarHBondContact O-N 2.93Å; L148-I158 WeakPolarHBondContact CA-O 3.47Å; L148-I158 HydrophobicContact CD2-CB 4.38Å; T149-I158 WeakPolarHBondContact CG2-O 3.42Å; T149-I158 PolarHBondContact N-O 3.22Å; I158-L160 HydrophobicContact CG2-CD2 3.88Å; I158-L160 HydrophobicContact CG2-CG 4.31Å
159M93.1Very high88.8Confident24 Ų2442.1 Ų42.112%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-91.4123.1179.4-162.7-76-70.500109.7A119 T149 L152A119-M159 HydrophobicContact CB-CE 3.5Å; A119-M159 VanDerWaalsContact CB-CE 3.5Å; A119-M159 HydrophobicContact CB-SD 4.32Å; T149-M159 HydrophobicContact CG2-CB 4.21Å; T149-M159 HydrophobicContact CG2-CG 4.41Å; T149-M159 CarbonylContact O-C 3.54Å; T149-M159 VanDerWaalsContact O-CA 3.32Å; T149-M159 WeakPolarHBondContact O-CA 3.22Å; L152-M159 HydrophobicContact CD2-CB 3.76Å; L152-M159 HydrophobicContact CD2-CE 3.91Å; L152-M159 HydrophobicContact CD2-CG 3.9Å; L152-M159 HydrophobicContact CG-CE 4.09Å; L152-M159 HydrophobicContact CG-CG 4.16Å
160L93.6Very high89Confident4 Ų442.1 Ų42.12%0.02126%0.258CS..  trans-122.5141.3177.5-57.5-179.2000109.7V64 F94 L148 T149 I158 S162 Y166 F192 A194V64-L160 HydrophobicContact CG1-CB 4.37Å; F94-L160 HydrophobicContact CB-CD2 3.92Å; F94-L160 HydrophobicContact CG-CD2 4.29Å; L148-L160 HydrophobicContact CB-CD1 4.36Å; L148-L160 HydrophobicContact CD1-CD1 3.94Å; L148-L160 HydrophobicContact CD2-CD1 4.04Å; L148-L160 HydrophobicContact CG-CD1 4.33Å; T149-L160 PolarHBondContact O-N 3.38Å; I158-L160 HydrophobicContact CG2-CD2 3.88Å; I158-L160 HydrophobicContact CG2-CG 4.31Å; L160-S162 PolarHBondContact O-N 3.19Å; L160-Y166 HydrophobicContact CB-CD2 4.37Å; L160-Y166 HydrophobicContact CB-CE2 3.8Å; L160-Y166 HydrophobicContact CD1-CD2 4.11Å; L160-Y166 HydrophobicContact CD1-CE2 4.37Å; L160-Y166 HydrophobicContact CD1-CG 4.39Å; L160-Y166 HydrophobicContact CD2-CD1 3.94Å; L160-Y166 HydrophobicContact CD2-CD2 4.33Å; L160-Y166 HydrophobicContact CD2-CE1 3.78Å; L160-Y166 HydrophobicContact CD2-CE2 4.18Å; L160-Y166 HydrophobicContact CD2-CG 4.21Å; L160-Y166 HydrophobicContact CG-CE2 4.34Å; L160-F192 HydrophobicContact CD1-CE2 3.87Å; L160-F192 HydrophobicContact CD1-CZ 3.79Å; L160-A194 HydrophobicContact CB-CB 4.23Å; L160-A194 HydrophobicContact CD1-CB 4.35Å
161N93Very high89.1Confident26 Ų2641 Ų4114%0.13925%0.251CS..  trans-70.7130171.5-69.2-12.1000108.7P117 Y166P117-N161 PolarHBondContact O-ND2 3.5Å; P117-N161 VanDerWaalsContact O-ND2 3.12Å; N161-Y166 PolarHBondContact N-OH 2.88Å
162S94.4Very high89.5Confident33 Ų3335.2 Ų35.223%0.23123%0.226CC..THydrogen-bonded Turntrans-65.9153.5173.9-52.20000110.7V64 L160 H164 A194V64-S162 WeakPolarHBondContact CG2-OG 3.14Å; L160-S162 PolarHBondContact O-N 3.19Å; S162-H164 VanDerWaalsContact C-N 3.25Å; S162-H164 PolarHBondContact O-N 2.97Å; S162-H164 PolarHBondContact O-ND1 2.97Å; S162-A194 CarbonylContact C-O 3.49Å; S162-A194 WeakPolarHBondContact CA-O 3.45Å
163L95.4Very high90.1Very high40 Ų4030.3 Ų30.321%0.20920%0.202CC..THydrogen-bonded Turntrans60.128.7-176.8-55.6178.4000114.4R101 W102 W109 A194R101-L163 CarbonylContact C-O 3.5Å; R101-L163 WeakPolarHBondContact CA-O 3.49Å; R101-L163 HydrophobicContact CG-CB 4.06Å; W102-L163 PolarHBondContact N-O 3.47Å; W102-L163 WeakPolarHBondContact O-CB 3.27Å; W109-L163 HydrophobicContact CH2-CD2 3.89Å; W109-L163 HydrophobicContact CZ3-CD2 4.07Å; L163-A194 PolarHBondContact N-O 3.25Å
164H94.8Very high91.2Very high13 Ų1329.1 Ų29.16%0.0619%0.192CC..EExtended strand (participates in β ladder)trans-121.6149.9171.4-68.280.3000110H100 E116 S162 Y166 I193 A194H100-H164 PolarHBondContact O-CD2 3.48Å; E116-H164 IonicContact OE2-CE1 3.38Å; E116-H164 PolarHBondContact OE2-CE1 2.73Å; S162-H164 VanDerWaalsContact C-N 3.25Å; S162-H164 PolarHBondContact O-N 2.97Å; S162-H164 PolarHBondContact O-ND1 2.97Å; H164-Y166 HydrophobicContact CB-CE2 3.78Å; H164-Y166 WeakPolarHBondContact O-CD2 3.33Å; H164-I193 WeakPolarHBondContact O-CA 3.37Å; H164-A194 PolarHBondContact O-N 3.46Å
165K96.6Very high92.3Very high35 Ų3527.3 Ų27.315%0.15216%0.163CC..EExtended strand (participates in β ladder)trans-93.3132.8-179.2-163.5-173-66.5142.90110.5A96 A97 D98 F192 I193A96-K165 WeakPolarHBondContact CA-O 3.37Å; A97-K165 HydrophobicContact CB-CB 4.29Å; A97-K165 HydrophobicContact CB-CD 3.95Å; A97-K165 HydrophobicContact CB-CG 3.94Å; A97-K165 PolarHBondContact N-O 3.38Å; D98-K165 WeakPolarHBondContact OD2-CD 3.3Å; D98-K165 WeakPolarHBondContact OD2-CE 3.32Å; D98-K165 IonicContact OD2-NZ 3.84Å; D98-K165 PolarHBondContact OD2-NZ 3.49Å; K165-F192 CarbonylContact C-O 3.57Å; K165-F192 WeakPolarHBondContact CA-O 3.25Å; K165-F192 WeakPolarHBondContact CG-O 3.28Å; K165-I193 HydrophobicContact CB-CG1 4.1Å; K165-I193 HydrophobicContact CG-CG1 4.05Å
166Y97.4Very high92.8Very high10 Ų1027.3 Ų27.34%0.03916%0.163CC..EExtended strand (participates in β ladder)trans-127.1149.7-176.3-70-81.4000111.8F94 V95 L160 N161 H164 Q191 F192 A194F94-Y166 HydrophobicContact CB-CD1 4.08Å; V95-Y166 CarbonylContact O-C 3.53Å; V95-Y166 VanDerWaalsContact O-CA 3.27Å; V95-Y166 WeakPolarHBondContact O-CA 3.47Å; L160-Y166 HydrophobicContact CB-CD2 4.37Å; L160-Y166 HydrophobicContact CB-CE2 3.8Å; L160-Y166 HydrophobicContact CD1-CD2 4.11Å; L160-Y166 HydrophobicContact CD1-CE2 4.37Å; L160-Y166 HydrophobicContact CD1-CG 4.39Å; L160-Y166 HydrophobicContact CD2-CD1 3.94Å; L160-Y166 HydrophobicContact CD2-CD2 4.33Å; L160-Y166 HydrophobicContact CD2-CE1 3.78Å; L160-Y166 HydrophobicContact CD2-CE2 4.18Å; L160-Y166 HydrophobicContact CD2-CG 4.21Å; L160-Y166 HydrophobicContact CG-CE2 4.34Å; N161-Y166 PolarHBondContact N-OH 2.88Å; H164-Y166 HydrophobicContact CB-CE2 3.78Å; H164-Y166 WeakPolarHBondContact O-CD2 3.33Å; Y166-Q191 VanDerWaalsContact O-CA 3.25Å; Y166-Q191 WeakPolarHBondContact O-CA 3.38Å; Y166-F192 HydrophobicContact CD2-CE2 4.42Å; Y166-F192 PolarHBondContact N-O 2.88Å; Y166-F192 PolarHBondContact O-N 3.42Å; Y166-A194 HydrophobicContact CD2-CB 4.07Å; Y166-A194 HydrophobicContact CE2-CB 4.07Å
167E97.8Very high92.4Very high24 Ų2427.6 Ų27.611%0.11217%0.166CC..EExtended strand (participates in β ladder)trans-115.2124.4167.4-165.6162.9161.900109.7F94 V95 C186 F187 P188 Q191F94-E167 WeakPolarHBondContact CA-O 3.19Å; V95-E167 HydrophobicContact CG2-CB 3.93Å; V95-E167 PolarHBondContact N-O 2.93Å; V95-E167 PolarHBondContact O-N 2.94Å; E167-C186 HydrophobicContact CG-CB 4.46Å; E167-C186 WeakPolarHBondContact OE1-CB 3.34Å; E167-F187 PolarHBondContact OE1-N 2.91Å; E167-P188 WeakPolarHBondContact OE1-CA 3.48Å; E167-Q191 HydrophobicContact CB-CG 3.82Å; E167-Q191 HydrophobicContact CG-CG 3.73Å; E167-Q191 PolarHBondContact OE2-NE2 2.91Å
168P97.7Very high90.9Very high2 Ų232.6 Ų32.61%0.01320%0.202CC..EExtended strand (participates in β ladder)trans-62.6132.5169.5-14.826.2000111.5L75 L92 F94 T190 F192L75-P168 HydrophobicContact CD2-CB 3.75Å; L92-P168 HydrophobicContact CD1-CB 4.06Å; F94-P168 HydrophobicContact CD1-CB 4.16Å; F94-P168 HydrophobicContact CD1-CG 4.16Å; F94-P168 HydrophobicContact CE1-CB 3.91Å; F94-P168 HydrophobicContact CE1-CG 3.86Å; P168-T190 WeakPolarHBondContact CD-O 3.46Å; P168-T190 VanDerWaalsContact CD-OG1 3.29Å; P168-T190 WeakPolarHBondContact CD-OG1 3.37Å; P168-T190 WeakPolarHBondContact CG-OG1 3.27Å; P168-F192 HydrophobicContact CG-CD1 4.48Å; P168-F192 HydrophobicContact CG-CE1 4.11Å
169R97.4Very high89.4Confident67 Ų6737.5 Ų37.525%0.25323%0.225SC..EExtended strand (participates in β ladder)trans-127.9122.8177.2174.6173.167.3168.52.8110.6L92 D93 H171 H185 C186L92-R169 WeakPolarHBondContact CA-O 3.43Å; D93-R169 VanDerWaalsContact CG-NH2 3.33Å; D93-R169 PolarHBondContact N-O 3.48Å; D93-R169 PolarHBondContact O-N 3.33Å; D93-R169 WeakPolarHBondContact OD1-CB 3.46Å; D93-R169 IonicContact OD1-CZ 3.69Å; D93-R169 IonicContact OD1-NE 3.14Å; D93-R169 PolarHBondContact OD1-NE 3.09Å; D93-R169 IonicContact OD1-NH2 2.7Å; D93-R169 PolarHBondContact OD1-NH2 2.94Å; D93-R169 VanDerWaalsContact OD1-NH2 3.13Å; D93-R169 IonicContact OD2-CZ 2.91Å; D93-R169 IonicContact OD2-NE 3.51Å; D93-R169 IonicContact OD2-NH2 3.31Å; D93-R169 PolarHBondContact OD2-NH2 2.92Å; R169-H171 PolarHBondContact NE-CE1 2.9Å; R169-H171 VanDerWaalsContact NE-CE1 3.32Å; R169-H171 PolarHBondContact NE-NE2 2.82Å; R169-H185 WeakPolarHBondContact CA-O 3.4Å; R169-C186 VanDerWaalsContact CG-SG 3.55Å
170I97.5Very high88.2Confident1 Ų143.2 Ų43.21%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-96.3132.5179-65.7168000109L75 V77 F90 L91 L92 F143 S184 H185 F187L75-I170 HydrophobicContact CD2-CD1 3.95Å; L75-I170 HydrophobicContact CD2-CG1 4.1Å; L75-I170 HydrophobicContact CG-CD1 4.2Å; V77-I170 HydrophobicContact CB-CD1 4.41Å; V77-I170 HydrophobicContact CG1-CD1 3.54Å; V77-I170 HydrophobicContact CG2-CD1 3.91Å; F90-I170 HydrophobicContact CD1-CG2 4.21Å; L91-I170 CarbonylContact O-C 3.55Å; L91-I170 WeakPolarHBondContact O-CA 3.42Å; L92-I170 HydrophobicContact CD1-CG1 4.22Å; F143-I170 HydrophobicContact CD2-CD1 4.33Å; F143-I170 HydrophobicContact CE2-CD1 3.72Å; F143-I170 HydrophobicContact CE2-CG1 3.95Å; F143-I170 HydrophobicContact CE2-CG2 4.46Å; F143-I170 HydrophobicContact CZ-CD1 4.41Å; F143-I170 HydrophobicContact CZ-CG1 4.18Å; F143-I170 HydrophobicContact CZ-CG2 4.22Å; I170-S184 CarbonylContact O-C 3.51Å; I170-S184 WeakPolarHBondContact O-CA 3.36Å; I170-H185 PolarHBondContact N-O 3.44Å; I170-H185 PolarHBondContact O-N 3.14Å; I170-F187 HydrophobicContact CD1-CE2 4.48Å
171H95.6Very high87.1Confident16 Ų1644.3 Ų44.37%0.07425%0.25CS..EExtended strand (participates in β ladder)trans-111.5136.5171.8-54.6-82.3000110.8L91 D93 R169 T183 S184L91-H171 HydrophobicContact CB-CB 4.28Å; L91-H171 HydrophobicContact CD1-CB 4.38Å; L91-H171 PolarHBondContact N-O 3Å; L91-H171 PolarHBondContact O-N 3.04Å; D93-H171 IonicContact OD1-NE2 3.75Å; D93-H171 PolarHBondContact OD1-NE2 3.43Å; R169-H171 PolarHBondContact NE-CE1 2.9Å; R169-H171 VanDerWaalsContact NE-CE1 3.32Å; R169-H171 PolarHBondContact NE-NE2 2.82Å; H171-T183 CarbonylContact C-O 3.6Å; H171-T183 VanDerWaalsContact CA-O 3.31Å; H171-T183 WeakPolarHBondContact CA-O 3.47Å; H171-S184 PolarHBondContact CE1-OG 3.12Å; H171-S184 PolarHBondContact ND1-OG 3.1Å
172I95.4Very high86.6Confident1 Ų143.7 Ų43.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-113.7116.7172.4-54.2177.6000107.4L42 V44 V79 L82 Y88 F90 I182 T183L42-I172 HydrophobicContact CD1-CD1 4.21Å; L42-I172 HydrophobicContact CD2-CD1 4.48Å; V44-I172 HydrophobicContact CG2-CD1 3.68Å; V79-I172 HydrophobicContact CG1-CD1 4.38Å; L82-I172 HydrophobicContact CD2-CG2 4.14Å; Y88-I172 HydrophobicContact CD1-CG2 3.89Å; Y88-I172 HydrophobicContact CG-CG2 4.46Å; F90-I172 HydrophobicContact CD1-CG1 4.09Å; F90-I172 HydrophobicContact CD2-CG2 4.44Å; F90-I172 HydrophobicContact CE1-CD1 3.64Å; F90-I172 HydrophobicContact CE1-CG1 3.6Å; F90-I172 HydrophobicContact CE2-CD1 4.37Å; F90-I172 HydrophobicContact CE2-CG1 4.15Å; F90-I172 HydrophobicContact CE2-CG2 3.85Å; F90-I172 HydrophobicContact CZ-CB 4.45Å; F90-I172 HydrophobicContact CZ-CD1 3.5Å; F90-I172 HydrophobicContact CZ-CG1 3.63Å; F90-I172 HydrophobicContact CZ-CG2 4.05Å; I172-I182 WeakPolarHBondContact O-CA 3.36Å; I172-T183 PolarHBondContact N-O 2.82Å; I172-T183 PolarHBondContact O-N 2.87Å
173V93.2Very high86.3Confident30 Ų3043.6 Ų43.618%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-114.6120.6-177.4176.10000109.2Y88 S89 L91 M181 I182Y88-V173 CarbonylContact C-O 3.6Å; Y88-V173 VanDerWaalsContact CA-O 3.23Å; Y88-V173 WeakPolarHBondContact CA-O 3.4Å; S89-V173 PolarHBondContact N-O 2.89Å; S89-V173 PolarHBondContact O-N 3.15Å; L91-V173 HydrophobicContact CD1-CB 4.14Å; L91-V173 HydrophobicContact CD1-CG2 3.54Å; V173-M181 WeakPolarHBondContact CA-O 3.44Å; V173-I182 HydrophobicContact CG1-CG1 4.27Å; V173-I182 HydrophobicContact CG2-CB 4.45Å; V173-I182 HydrophobicContact CG2-CD1 4.22Å; V173-I182 HydrophobicContact CG2-CG1 4.05Å; V173-I182 HydrophobicContact CG2-CG2 3.85Å
174R91.3Very high86.3Confident45 Ų4543.8 Ų43.817%0.1725%0.25CC..EExtended strand (participates in β ladder)trans-74135.2172.8-163.4167.8-178.5-167.9-1.4110.1D36 E39 D83 A86 Y88 M181D36-R174 IonicContact OD2-CZ 3.85Å; D36-R174 IonicContact OD2-NH1 3.1Å; D36-R174 PolarHBondContact OD2-NH1 3.19Å; D36-R174 IonicContact OD2-NH2 2.85Å; E39-R174 VanDerWaalsContact OE1-CD 3.26Å; E39-R174 WeakPolarHBondContact OE1-CD 3.4Å; E39-R174 IonicContact OE1-CZ 2.71Å; E39-R174 VanDerWaalsContact OE1-CZ 3.31Å; E39-R174 IonicContact OE1-NE 3.98Å; E39-R174 IonicContact OE1-NH1 3.73Å; E39-R174 PolarHBondContact OE1-NH1 3.03Å; D83-R174 IonicContact OD2-NH2 2.71Å; D83-R174 PolarHBondContact OD2-NH2 3.48Å; D83-R174 VanDerWaalsContact OD2-NH2 3.14Å; A86-R174 HydrophobicContact CB-CG 4.3Å; A86-R174 VanDerWaalsContact CB-NE 3.3Å; Y88-R174 HydrophobicContact CD1-CB 3.89Å; Y88-R174 HydrophobicContact CD1-CG 4.07Å; Y88-R174 HydrophobicContact CE1-CB 3.77Å; Y88-R174 HydrophobicContact CE1-CG 3.68Å; R174-M181 HydrophobicContact CB-CB 4.34Å; R174-M181 PolarHBondContact N-O 2.89Å
175V89.3Confident86.3Confident49 Ų4945.3 Ų45.330%0.29726%0.257SS..EExtended strand (participates in β ladder)trans-112.9111.3-169.3179.30000110.2M87 P130M87-V175 HydrophobicContact CB-CB 3.99Å; M87-V175 HydrophobicContact CE-CG1 4.4Å; M87-V175 PolarHBondContact O-N 2.8Å; P130-V175 HydrophobicContact CB-CG1 4.36Å; P130-V175 HydrophobicContact CB-CG2 4.22Å
176G77Confident86.3Confident53 Ų5346.3 Ų46.355%0.54627%0.267SS..SBendtrans92.2165.2-17400000112.7
177G67.5Low86.4Confident65 Ų6547 Ų4767%0.6727%0.271SS*.SBendtrans90.1169.4-169.700000113.5
178P58.4Low86.4Confident143 Ų14349.3 Ų49.393%0.92929%0.288SS*.SBendtrans-82.1-13.5-176.533.4-36.3000114.1
179Q61.4Low86.4Confident106 Ų10651.3 Ų51.350%0.49530%0.297SS..SBendtrans-115.2122.1171.7-72.4178.4-7400108.9K34 M181K34-Q179 PolarHBondContact O-NE2 3.03Å; Q179-M181 PolarHBondContact O-N 3.47Å
180R68.1Low86.4Confident145 Ų14548.1 Ų48.155%0.54729%0.285SS..  trans-84.4100.1165.9-73.9166.2167-176.30.2108.7E27E27-R180 WeakPolarHBondContact OE1-CD 3.32Å; E27-R180 WeakPolarHBondContact OE2-CD 3.34Å; E27-R180 IonicContact OE2-CZ 2.87Å; E27-R180 IonicContact OE2-NE 3.39Å; E27-R180 IonicContact OE2-NH1 3.39Å; E27-R180 PolarHBondContact OE2-NH1 2.82Å
181M70.4Confident86.5Confident26 Ų2649.9 Ų49.913%0.12829%0.293CS..  trans-80.6132.8170.6-167.7-177.471.100109.8E39 V173 R174 Q179 T183E39-M181 HydrophobicContact CB-CE 4.1Å; E39-M181 HydrophobicContact CB-SD 4.41Å; E39-M181 HydrophobicContact CG-CE 4.35Å; E39-M181 WeakPolarHBondContact OE1-CE 3.44Å; E39-M181 WeakPolarHBondContact OE2-CE 3.44Å; V173-M181 WeakPolarHBondContact CA-O 3.44Å; R174-M181 HydrophobicContact CB-CB 4.34Å; R174-M181 PolarHBondContact N-O 2.89Å; Q179-M181 PolarHBondContact O-N 3.47Å; M181-T183 HydrophobicContact CE-CG2 4.27Å; M181-T183 HydrophobicContact CG-CG2 4.42Å; M181-T183 HydrophobicContact SD-CG2 4.41Å
182I81.3Confident86.6Confident13 Ų1349.3 Ų49.37%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-132.3123.2174.9-49.6-175.7000108.4V24 L28 I172 V173V24-I182 HydrophobicContact CB-CD1 3.92Å; V24-I182 HydrophobicContact CG1-CD1 3.7Å; V24-I182 HydrophobicContact CG1-CG2 4.28Å; V24-I182 HydrophobicContact CG2-CD1 3.69Å; L28-I182 HydrophobicContact CD1-CB 3.82Å; L28-I182 HydrophobicContact CD1-CG2 3.51Å; L28-I182 HydrophobicContact CG-CB 4.34Å; L28-I182 HydrophobicContact CG-CG2 4.43Å; I172-I182 WeakPolarHBondContact O-CA 3.36Å; V173-I182 HydrophobicContact CG1-CG1 4.27Å; V173-I182 HydrophobicContact CG2-CB 4.45Å; V173-I182 HydrophobicContact CG2-CD1 4.22Å; V173-I182 HydrophobicContact CG2-CG1 4.05Å; V173-I182 HydrophobicContact CG2-CG2 3.85Å
183T89.7Confident86.8Confident31 Ų3149.2 Ų49.219%0.1929%0.29CS..EExtended strand (participates in β ladder)trans-118.5149173.564.40000110.2L42 H171 I172 M181 H185L42-T183 HydrophobicContact CD2-CG2 3.92Å; L42-T183 VanDerWaalsContact CD2-OG1 3.31Å; L42-T183 WeakPolarHBondContact CD2-OG1 3.38Å; H171-T183 CarbonylContact C-O 3.6Å; H171-T183 VanDerWaalsContact CA-O 3.31Å; H171-T183 WeakPolarHBondContact CA-O 3.47Å; I172-T183 PolarHBondContact N-O 2.82Å; I172-T183 PolarHBondContact O-N 2.87Å; M181-T183 HydrophobicContact CE-CG2 4.27Å; M181-T183 HydrophobicContact CG-CG2 4.42Å; M181-T183 HydrophobicContact SD-CG2 4.41Å; T183-H185 WeakPolarHBondContact CB-NE2 3.32Å; T183-H185 PolarHBondContact OG1-NE2 2.88Å
184S93.9Very high87Confident44 Ų4447.8 Ų47.831%0.30828%0.282SS..EExtended strand (participates in β ladder)trans-129.9130.8-173.3-53.60000110.1I170 H171I170-S184 CarbonylContact O-C 3.51Å; I170-S184 WeakPolarHBondContact O-CA 3.36Å; H171-S184 PolarHBondContact CE1-OG 3.12Å; H171-S184 PolarHBondContact ND1-OG 3.1Å
185H96Very high87.3Confident45 Ų4545.7 Ų45.721%0.20827%0.274CS..EExtended strand (participates in β ladder)trans-130.9127.8-170.6-55.2-91.1000109.6L42 V44 R169 I170 T183 F187L42-H185 WeakPolarHBondContact CD2-NE2 3.34Å; V44-H185 HydrophobicContact CB-CB 4.37Å; V44-H185 HydrophobicContact CG1-CB 4.46Å; R169-H185 WeakPolarHBondContact CA-O 3.4Å; I170-H185 PolarHBondContact N-O 3.44Å; I170-H185 PolarHBondContact O-N 3.14Å; T183-H185 WeakPolarHBondContact CB-NE2 3.32Å; T183-H185 PolarHBondContact OG1-NE2 2.88Å; H185-F187 HydrophobicContact CB-CE2 4.48Å
186C96.6Very high87.7Confident56 Ų5647.7 Ų47.738%0.37829%0.286SS..EExtended strand (participates in β ladder)trans-124.4155.1-179.8-52.80000109.6E167 R169E167-C186 HydrophobicContact CG-CB 4.46Å; E167-C186 WeakPolarHBondContact OE1-CB 3.34Å; R169-C186 VanDerWaalsContact CG-SG 3.55Å
187F97.9Very high88.7Confident25 Ų2547.8 Ų47.811%0.1128%0.281CS..  trans-135.498.9-177-65-76.2000109.1V44 L46 V77 E167 I170 H185 E189 T190V44-F187 HydrophobicContact CG1-CE2 4.37Å; V44-F187 HydrophobicContact CG1-CZ 4.04Å; L46-F187 HydrophobicContact CB-CD1 3.75Å; L46-F187 HydrophobicContact CB-CE1 3.91Å; L46-F187 HydrophobicContact CB-CG 4.16Å; L46-F187 HydrophobicContact CB-CZ 4.44Å; L46-F187 HydrophobicContact CD1-CG 4.45Å; L46-F187 HydrophobicContact CD2-CB 4.32Å; V77-F187 HydrophobicContact CG1-CE2 3.76Å; V77-F187 HydrophobicContact CG1-CZ 4.14Å; E167-F187 PolarHBondContact OE1-N 2.91Å; I170-F187 HydrophobicContact CD1-CE2 4.48Å; H185-F187 HydrophobicContact CB-CE2 4.48Å; F187-E189 WeakPolarHBondContact CA-OE2 3.18Å; F187-E189 WeakPolarHBondContact CB-OE2 3.17Å; F187-E189 PolarHBondContact O-N 3.23Å; F187-E189 VanDerWaalsContact O-N 3.12Å; F187-T190 HydrophobicContact CB-CG2 3.67Å; F187-T190 WeakPolarHBondContact O-CA 3.48Å; F187-T190 WeakPolarHBondContact O-CB 3.15Å; F187-T190 PolarHBondContact O-N 3.17Å; F187-T190 PolarHBondContact O-OG1 3.36Å
188P97.9Very high90.2Very high72 Ų7247.9 Ų47.947%0.46826%0.262SS..G310 helixtrans-60.1-24.5-172.7-28.336.7000115K56 E167 T190 Q191K56-P188 WeakPolarHBondContact CE-O 3.2Å; K56-P188 PolarHBondContact NZ-O 2.82Å; E167-P188 WeakPolarHBondContact OE1-CA 3.48Å; P188-T190 PolarHBondContact O-N 2.73Å; P188-Q191 WeakPolarHBondContact O-CB 3.29Å; P188-Q191 WeakPolarHBondContact O-CG 3.21Å; P188-Q191 PolarHBondContact O-N 3.23Å
189E97.8Very high92.1Very high44 Ų4444.7 Ų44.721%0.20624%0.235CC..G310 helixtrans-68.4-20.4171.568.4-87.1-127.800113.1L46 W52 L53 F187L46-E189 HydrophobicContact CD2-CG 3.39Å; L46-E189 WeakPolarHBondContact CD2-OE1 3.41Å; W52-E189 HydrophobicContact CB-CG 4.16Å; L53-E189 HydrophobicContact CD2-CB 3.81Å; L53-E189 HydrophobicContact CG-CB 4.33Å; F187-E189 WeakPolarHBondContact CA-OE2 3.18Å; F187-E189 WeakPolarHBondContact CB-OE2 3.17Å; F187-E189 PolarHBondContact O-N 3.23Å; F187-E189 VanDerWaalsContact O-N 3.12Å
190T98.7Very high93.9Very high0 Ų040.3 Ų40.30%022%0.215CC..G310 helixtrans-88.3-3.7177.771.50000114.2L46 W52 L75 P168 F187 P188L46-T190 HydrophobicContact CD1-CG2 3.69Å; L46-T190 HydrophobicContact CD2-CG2 3.53Å; L46-T190 HydrophobicContact CG-CG2 4.29Å; W52-T190 HydrophobicContact CD2-CG2 3.75Å; W52-T190 HydrophobicContact CE3-CG2 3.94Å; W52-T190 HydrophobicContact CG-CG2 4.07Å; W52-T190 HydrophobicContact CZ2-CG2 4.39Å; W52-T190 HydrophobicContact CZ3-CG2 4.3Å; L75-T190 HydrophobicContact CD1-CG2 4.17Å; P168-T190 WeakPolarHBondContact CD-O 3.46Å; P168-T190 VanDerWaalsContact CD-OG1 3.29Å; P168-T190 WeakPolarHBondContact CD-OG1 3.37Å; P168-T190 WeakPolarHBondContact CG-OG1 3.27Å; F187-T190 HydrophobicContact CB-CG2 3.67Å; F187-T190 WeakPolarHBondContact O-CA 3.48Å; F187-T190 WeakPolarHBondContact O-CB 3.15Å; F187-T190 PolarHBondContact O-N 3.17Å; F187-T190 PolarHBondContact O-OG1 3.36Å; P188-T190 PolarHBondContact O-N 2.73Å
191Q98.6Very high95.3Very high39 Ų3941.3 Ų41.318%0.18223%0.226CC..  trans-55.1144.4174.2-73.1178.5-0.600112.4N60 A97 Y166 E167 P188N60-Q191 WeakPolarHBondContact CB-O 3.42Å; A97-Q191 HydrophobicContact CB-CG 4.31Å; Y166-Q191 VanDerWaalsContact O-CA 3.25Å; Y166-Q191 WeakPolarHBondContact O-CA 3.38Å; E167-Q191 HydrophobicContact CB-CG 3.82Å; E167-Q191 HydrophobicContact CG-CG 3.73Å; E167-Q191 PolarHBondContact OE2-NE2 2.91Å; P188-Q191 WeakPolarHBondContact O-CB 3.29Å; P188-Q191 WeakPolarHBondContact O-CG 3.21Å; P188-Q191 PolarHBondContact O-N 3.23Å
192F98.8Very high96.6Very high3 Ų345.7 Ų45.71%0.01325%0.246CC..EExtended strand (participates in β ladder)trans-151.4162.517964.5-86.9000112.7N60 M62 F94 L148 L160 K165 Y166 P168 A194N60-F192 HydrophobicContact CB-CB 4.01Å; N60-F192 CarbonylContact O-C 3.55Å; N60-F192 WeakPolarHBondContact O-CA 3.44Å; N60-F192 WeakPolarHBondContact O-CB 3.43Å; M62-F192 HydrophobicContact CB-CD2 3.43Å; M62-F192 VanDerWaalsContact CB-CD2 3.43Å; M62-F192 HydrophobicContact CB-CE2 3.68Å; M62-F192 HydrophobicContact CB-CG 4.05Å; M62-F192 HydrophobicContact CB-CZ 4.49Å; M62-F192 HydrophobicContact CG-CB 3.87Å; M62-F192 HydrophobicContact CG-CD1 3.91Å; M62-F192 HydrophobicContact CG-CD2 3.34Å; M62-F192 HydrophobicContact CG-CE1 4.33Å; M62-F192 HydrophobicContact CG-CE2 3.8Å; M62-F192 HydrophobicContact CG-CG 3.4Å; M62-F192 VanDerWaalsContact CG-CG 3.4Å; M62-F192 HydrophobicContact CG-CZ 4.27Å; F94-F192 AromaticContact CD1-CE1 3.64Å; F94-F192 HydrophobicContact CD1-CE1 3.64Å; F94-F192 AromaticContact CD1-CZ 3.65Å; F94-F192 HydrophobicContact CD1-CZ 3.65Å; F94-F192 AromaticContact CE1-CE1 3.57Å; F94-F192 HydrophobicContact CE1-CE1 3.57Å; F94-F192 AromaticContact CE1-CZ 3.71Å; F94-F192 HydrophobicContact CE1-CZ 3.71Å; L148-F192 HydrophobicContact CD1-CE2 4.13Å; L148-F192 HydrophobicContact CD1-CZ 3.99Å; L160-F192 HydrophobicContact CD1-CE2 3.87Å; L160-F192 HydrophobicContact CD1-CZ 3.79Å; K165-F192 CarbonylContact C-O 3.57Å; K165-F192 WeakPolarHBondContact CA-O 3.25Å; K165-F192 WeakPolarHBondContact CG-O 3.28Å; Y166-F192 HydrophobicContact CD2-CE2 4.42Å; Y166-F192 PolarHBondContact N-O 2.88Å; Y166-F192 PolarHBondContact O-N 3.42Å; P168-F192 HydrophobicContact CG-CD1 4.48Å; P168-F192 HydrophobicContact CG-CE1 4.11Å; F192-A194 HydrophobicContact CE2-CB 4.24Å
193I98.3Very high97.4Very high0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-96.2130.3166.5-60.2176000109.4T59 N60 E61 M62 W102 W109 H164 K165 V195T59-I193 HydrophobicContact CG2-CD1 3.7Å; T59-I193 HydrophobicContact CG2-CG1 4.23Å; N60-I193 PolarHBondContact O-N 2.87Å; E61-I193 WeakPolarHBondContact CA-O 3.49Å; M62-I193 PolarHBondContact N-O 3.49Å; W102-I193 HydrophobicContact CB-CD1 4.12Å; W102-I193 HydrophobicContact CD2-CD1 4.1Å; W102-I193 HydrophobicContact CE3-CD1 4.29Å; W102-I193 HydrophobicContact CG-CD1 3.98Å; W109-I193 HydrophobicContact CB-CD1 4.38Å; W109-I193 HydrophobicContact CD2-CD1 3.54Å; W109-I193 HydrophobicContact CE3-CD1 3.66Å; W109-I193 HydrophobicContact CG-CD1 3.9Å; W109-I193 HydrophobicContact CH2-CD1 4.42Å; W109-I193 HydrophobicContact CH2-CG2 3.76Å; W109-I193 HydrophobicContact CZ2-CB 4.44Å; W109-I193 HydrophobicContact CZ2-CD1 4.35Å; W109-I193 HydrophobicContact CZ2-CG2 4.17Å; W109-I193 HydrophobicContact CZ3-CD1 4.1Å; W109-I193 HydrophobicContact CZ3-CG2 4.03Å; H164-I193 WeakPolarHBondContact O-CA 3.37Å; K165-I193 HydrophobicContact CB-CG1 4.1Å; K165-I193 HydrophobicContact CG-CG1 4.05Å; I193-V195 HydrophobicContact CG2-CG1 4.05Å
194A97.8Very high97.7Very high0 Ų045.6 Ų45.60%025%0.246CC..EExtended strand (participates in β ladder)trans-78.9123.2177.200000110.5V64 L160 S162 L163 H164 Y166 F192V64-A194 HydrophobicContact CG1-CB 4.14Å; L160-A194 HydrophobicContact CB-CB 4.23Å; L160-A194 HydrophobicContact CD1-CB 4.35Å; S162-A194 CarbonylContact C-O 3.49Å; S162-A194 WeakPolarHBondContact CA-O 3.45Å; L163-A194 PolarHBondContact N-O 3.25Å; H164-A194 PolarHBondContact O-N 3.46Å; Y166-A194 HydrophobicContact CD2-CB 4.07Å; Y166-A194 HydrophobicContact CE2-CB 4.07Å; F192-A194 HydrophobicContact CE2-CB 4.24Å
195V98.3Very high97.9Very high1 Ų146.2 Ų46.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-132.8153.9-173.6-61.10000112.3E61 M62 I63 V64 W109 I193 A197 Y198 Q199E61-V195 HydrophobicContact CB-CG2 3.96Å; M62-V195 PolarHBondContact O-N 3.5Å; I63-V195 CarbonylContact C-O 3.54Å; I63-V195 VanDerWaalsContact CA-O 3.26Å; I63-V195 WeakPolarHBondContact CA-O 3.28Å; I63-V195 HydrophobicContact CD1-CG2 4.11Å; V64-V195 WeakPolarHBondContact CG2-O 3Å; V64-V195 PolarHBondContact N-O 3.01Å; W109-V195 HydrophobicContact CH2-CG1 3.79Å; W109-V195 HydrophobicContact CZ2-CG1 3.89Å; I193-V195 HydrophobicContact CG2-CG1 4.05Å; V195-A197 WeakPolarHBondContact CB-O 3.24Å; V195-A197 WeakPolarHBondContact CG2-O 3.2Å; V195-Y198 HydrophobicContact CG2-CD1 4.31Å; V195-Q199 HydrophobicContact CG1-CG 4.36Å
196T97.8Very high97.9Very high90 Ų9045.3 Ų45.355%0.55225%0.25SS*.SBendtrans-87.2-26.3175.944.20000113.2V64V64-T196 HydrophobicContact CG2-CG2 4.35Å
197A98.1Very high98Very high55 Ų5542.9 Ų42.946%0.45523%0.233SC..SBendtrans-143.4152.6168.600000107.1V195 Q199V195-A197 WeakPolarHBondContact CB-O 3.24Å; V195-A197 WeakPolarHBondContact CG2-O 3.2Å; A197-Q199 PolarHBondContact O-NE2 3.29Å; A197-Q199 VanDerWaalsContact O-NE2 3.15Å
198Y98.6Very high97.9Very high67 Ų6744 Ų4426%0.26324%0.24SC..  trans-62.2149.5178.6-64.2-58.1000111.1E61 I63 V195 I203 T204 K207E61-Y198 HydrophobicContact CB-CD1 3.93Å; E61-Y198 HydrophobicContact CB-CE1 4.27Å; E61-Y198 WeakPolarHBondContact OE2-CA 3.48Å; I63-Y198 HydrophobicContact CD1-CD1 3.98Å; I63-Y198 HydrophobicContact CD1-CD2 4.22Å; I63-Y198 HydrophobicContact CD1-CE1 3.97Å; I63-Y198 HydrophobicContact CD1-CE2 4.21Å; I63-Y198 HydrophobicContact CD1-CG 4.09Å; I63-Y198 HydrophobicContact CG1-CD1 4.1Å; I63-Y198 HydrophobicContact CG1-CD2 4.47Å; I63-Y198 HydrophobicContact CG1-CE1 3.56Å; I63-Y198 HydrophobicContact CG1-CE2 3.97Å; I63-Y198 VanDerWaalsContact CG1-CZ 3.47Å; V195-Y198 HydrophobicContact CG2-CD1 4.31Å; Y198-I203 HydrophobicContact CD1-CG2 4.18Å; Y198-I203 HydrophobicContact CE1-CG2 4.38Å; Y198-T204 WeakPolarHBondContact CB-OG1 3.4Å; Y198-T204 HydrophobicContact CD2-CG2 4.12Å; Y198-T204 WeakPolarHBondContact CD2-OG1 3.14Å; Y198-K207 HydrophobicContact CE1-CD 4.3Å; Y198-K207 HydrophobicContact CE1-CG 4.09Å; Y198-K207 HydrophobicContact CE2-CB 4.42Å; Y198-K207 HydrophobicContact CE2-CG 4.15Å; Y198-K207 WeakPolarHBondContact OH-CD 3.31Å; Y198-K207 WeakPolarHBondContact OH-CG 3.26Å
199Q98.4Very high97.8Very high77 Ų7746.8 Ų46.836%0.3625%0.245SC..SBendtrans-109.8-45.7177.7-52.5-64.4-92.500110.7E61 Y104 W109 V195 A197E61-Q199 PolarHBondContact OE1-N 2.89Å; E61-Q199 PolarHBondContact OE2-N 2.82Å; Y104-Q199 HydrophobicContact CD1-CB 3.71Å; Y104-Q199 HydrophobicContact CD2-CB 4.22Å; Y104-Q199 HydrophobicContact CE1-CB 4.37Å; Y104-Q199 WeakPolarHBondContact CE1-O 3.47Å; Y104-Q199 HydrophobicContact CG-CB 3.6Å; W109-Q199 HydrophobicContact CH2-CB 4.29Å; W109-Q199 HydrophobicContact CH2-CG 3.67Å; W109-Q199 HydrophobicContact CZ2-CB 3.74Å; W109-Q199 HydrophobicContact CZ2-CG 3.56Å; V195-Q199 HydrophobicContact CG1-CG 4.36Å; A197-Q199 PolarHBondContact O-NE2 3.29Å; A197-Q199 VanDerWaalsContact O-NE2 3.15Å
200N98.1Very high97.7Very high14 Ų1448.4 Ų48.48%0.07525%0.25CC..  trans-81.2123171.3-172.9-9.4000111.5L58 E61 Y104 E202 I203 T204L58-N200 PolarHBondContact O-ND2 2.98Å; E61-N200 WeakPolarHBondContact OE1-CB 3.43Å; E61-N200 PolarHBondContact OE1-N 3.13Å; Y104-N200 HydrophobicContact CE2-CB 4.07Å; Y104-N200 WeakPolarHBondContact OH-CA 3.5Å; N200-E202 WeakPolarHBondContact OD1-CB 3.31Å; N200-E202 PolarHBondContact OD1-N 3.21Å; N200-I203 HydrophobicContact CB-CB 4.04Å; N200-I203 HydrophobicContact CB-CG1 3.82Å; N200-T204 PolarHBondContact O-N 3.05Å; N200-T204 VanDerWaalsContact O-N 3.14Å; N200-T204 PolarHBondContact O-OG1 2.63Å; N200-T204 VanDerWaalsContact O-OG1 3.12Å
201E97.4Very high97.6Very high165 Ų16549.5 Ų49.577%0.77126%0.255SS*.Hα-helixtrans-71.2-29.9176.9-63.9-166.2167.700112.5T204 A205E201-T204 CarbonylContact O-C 3.6Å; E201-T204 WeakPolarHBondContact O-CA 3.48Å; E201-T204 VanDerWaalsContact O-CB 3.29Å; E201-T204 WeakPolarHBondContact O-CB 3.39Å; E201-T204 PolarHBondContact O-N 3.17Å; E201-T204 VanDerWaalsContact O-N 3.1Å; E201-A205 PolarHBondContact O-N 3.35Å
202E98Very high97.3Very high118 Ų11852.4 Ų52.455%0.55128%0.278SS*.Hα-helixtrans-68.5-39.8175.4-59-178.4-151.700111.5L58 N200 T204 A205 L206L58-E202 HydrophobicContact CD1-CB 3.76Å; L58-E202 WeakPolarHBondContact CD2-OE2 3.32Å; N200-E202 WeakPolarHBondContact OD1-CB 3.31Å; N200-E202 PolarHBondContact OD1-N 3.21Å; E202-T204 VanDerWaalsContact C-N 3.28Å; E202-T204 PolarHBondContact O-N 2.98Å; E202-A205 PolarHBondContact O-N 3.15Å; E202-L206 PolarHBondContact O-N 3.31Å
203I98.3Very high97Very high0 Ų061 Ų610%032%0.315CS..Hα-helixtrans-56.4-47.7167.4-70.2-70.1000109.1F55 L58 E61 Y198 N200 A205 L206 K207F55-I203 HydrophobicContact CD1-CD1 3.91Å; L58-I203 HydrophobicContact CB-CD1 3.65Å; L58-I203 HydrophobicContact CB-CG1 4.07Å; E61-I203 HydrophobicContact CB-CG2 4.06Å; E61-I203 HydrophobicContact CG-CG2 4.27Å; Y198-I203 HydrophobicContact CD1-CG2 4.18Å; Y198-I203 HydrophobicContact CE1-CG2 4.38Å; N200-I203 HydrophobicContact CB-CB 4.04Å; N200-I203 HydrophobicContact CB-CG1 3.82Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-A205 PolarHBondContact O-N 2.78Å; I203-L206 PolarHBondContact O-N 3.49Å; I203-K207 HydrophobicContact CG2-CG 4.18Å; I203-K207 WeakPolarHBondContact O-CG 3.36Å; I203-K207 PolarHBondContact O-N 3.5Å
204T97.3Very high96.6Very high42 Ų4261.7 Ų61.726%0.25832%0.321SS..Hα-helixtrans-58.2-42.5178.1-57.10000112Y198 N200 E201 E202 K207 I208Y198-T204 WeakPolarHBondContact CB-OG1 3.4Å; Y198-T204 HydrophobicContact CD2-CG2 4.12Å; Y198-T204 WeakPolarHBondContact CD2-OG1 3.14Å; N200-T204 PolarHBondContact O-N 3.05Å; N200-T204 VanDerWaalsContact O-N 3.14Å; N200-T204 PolarHBondContact O-OG1 2.63Å; N200-T204 VanDerWaalsContact O-OG1 3.12Å; E201-T204 CarbonylContact O-C 3.6Å; E201-T204 WeakPolarHBondContact O-CA 3.48Å; E201-T204 VanDerWaalsContact O-CB 3.29Å; E201-T204 WeakPolarHBondContact O-CB 3.39Å; E201-T204 PolarHBondContact O-N 3.17Å; E201-T204 VanDerWaalsContact O-N 3.1Å; E202-T204 VanDerWaalsContact C-N 3.28Å; E202-T204 PolarHBondContact O-N 2.98Å; T204-K207 PolarHBondContact O-N 3.07Å; T204-I208 HydrophobicContact CG2-CD1 4.1Å; T204-I208 WeakPolarHBondContact O-CG1 3.15Å; T204-I208 PolarHBondContact O-N 3.41Å
205A96.6Very high95.7Very high57 Ų5767.2 Ų67.247%0.47135%0.345SS..Hα-helixtrans-62.7-43.7175.200000112.3E201 E202 I203 K207 I208 K209E201-A205 PolarHBondContact O-N 3.35Å; E202-A205 PolarHBondContact O-N 3.15Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-A205 PolarHBondContact O-N 2.78Å; A205-K207 PolarHBondContact O-N 3.42Å; A205-I208 PolarHBondContact O-N 2.8Å; A205-K209 VanDerWaalsContact O-CB 3.28Å; A205-K209 WeakPolarHBondContact O-CB 3.4Å; A205-K209 PolarHBondContact O-N 2.92Å
206L97.3Very high94.8Very high26 Ų2670.9 Ų70.914%0.13638%0.375CS..Hα-helixtrans-61.5-41.5172.6-71.5-177.6000112.1R54 F55 L58 E202 I203 I208 K209 Y210R54-L206 WeakPolarHBondContact O-CD1 3.38Å; F55-L206 HydrophobicContact CD1-CB 4.17Å; F55-L206 HydrophobicContact CD1-CD1 3.97Å; F55-L206 HydrophobicContact CE1-CB 3.38Å; F55-L206 HydrophobicContact CE1-CD1 4.04Å; F55-L206 HydrophobicContact CE1-CG 4.39Å; F55-L206 HydrophobicContact CE2-CB 4.48Å; F55-L206 HydrophobicContact CG-CD1 4.42Å; F55-L206 HydrophobicContact CZ-CB 3.58Å; L58-L206 HydrophobicContact CD1-CD1 3.73Å; L58-L206 HydrophobicContact CD1-CG 4.4Å; E202-L206 PolarHBondContact O-N 3.31Å; I203-L206 PolarHBondContact O-N 3.49Å; L206-I208 VanDerWaalsContact C-N 3.34Å; L206-I208 PolarHBondContact O-N 2.93Å; L206-K209 PolarHBondContact O-N 2.99Å; L206-Y210 HydrophobicContact CD2-CD2 4.12Å; L206-Y210 HydrophobicContact CD2-CE2 3.78Å; L206-Y210 WeakPolarHBondContact O-CD2 3.41Å; L206-Y210 PolarHBondContact O-N 3.08Å
207K97.6Very high93.9Very high6 Ų673.3 Ų73.33%0.02638%0.378CS..Hα-helixtrans-63.8-39.8176.7-56.8-75.7178.9-163.90110.6F55 N60 E61 F72 Y198 I203 T204 A205 N211F55-K207 HydrophobicContact CD1-CD 4.43Å; F55-K207 HydrophobicContact CE1-CD 3.52Å; F55-K207 VanDerWaalsContact CE1-CE 3.44Å; F55-K207 HydrophobicContact CE1-CG 3.88Å; F55-K207 HydrophobicContact CZ-CD 3.77Å; F55-K207 HydrophobicContact CZ-CG 4.26Å; N60-K207 PolarHBondContact OD1-NZ 2.87Å; E61-K207 WeakPolarHBondContact O-CE 3.32Å; E61-K207 PolarHBondContact O-NZ 3.08Å; F72-K207 HydrophobicContact CD1-CD 3.96Å; F72-K207 PolarHBondContact O-NZ 3.42Å; Y198-K207 HydrophobicContact CE1-CD 4.3Å; Y198-K207 HydrophobicContact CE1-CG 4.09Å; Y198-K207 HydrophobicContact CE2-CB 4.42Å; Y198-K207 HydrophobicContact CE2-CG 4.15Å; Y198-K207 WeakPolarHBondContact OH-CD 3.31Å; Y198-K207 WeakPolarHBondContact OH-CG 3.26Å; I203-K207 HydrophobicContact CG2-CG 4.18Å; I203-K207 WeakPolarHBondContact O-CG 3.36Å; I203-K207 PolarHBondContact O-N 3.5Å; T204-K207 PolarHBondContact O-N 3.07Å; A205-K207 PolarHBondContact O-N 3.42Å; K207-N211 WeakPolarHBondContact O-CB 3.4Å; K207-N211 PolarHBondContact O-N 3.05Å; K207-N211 VanDerWaalsContact O-N 3.13Å
208I95.8Very high92.9Very high48 Ų4873.4 Ų73.425%0.24637%0.371CS..Hα-helixtrans-66.8-46.8175.9-70166.7000111.3T204 A205 L206 F217 L218T204-I208 HydrophobicContact CG2-CD1 4.1Å; T204-I208 WeakPolarHBondContact O-CG1 3.15Å; T204-I208 PolarHBondContact O-N 3.41Å; A205-I208 PolarHBondContact O-N 2.8Å; L206-I208 VanDerWaalsContact C-N 3.34Å; L206-I208 PolarHBondContact O-N 2.93Å; I208-F217 HydrophobicContact CD1-CB 4.11Å; I208-F217 HydrophobicContact CG1-CB 4.2Å; I208-F217 HydrophobicContact CG2-CB 3.97Å; I208-L218 HydrophobicContact CG2-CB 4.08Å
209K95.8Very high91.7Very high130 Ų13072.4 Ų72.457%0.56537%0.37SS*.Hα-helixtrans-64.8-41.2-176.5-177176.2178.8-174.30113.5A205 L206A205-K209 VanDerWaalsContact O-CB 3.28Å; A205-K209 WeakPolarHBondContact O-CB 3.4Å; A205-K209 PolarHBondContact O-N 2.92Å; L206-K209 PolarHBondContact O-N 2.99Å
210Y96Very high90.7Very high79 Ų7971.4 Ų71.431%0.3138%0.375SS..Hα-helixtrans-105.1-15.6-171.1-67.8-72.5000115.1L51 F72 L206 P212L51-Y210 HydrophobicContact CD1-CD1 4.07Å; L51-Y210 HydrophobicContact CD1-CD2 3.93Å; L51-Y210 HydrophobicContact CD1-CE2 4.44Å; L51-Y210 HydrophobicContact CD1-CG 3.74Å; F72-Y210 WeakPolarHBondContact CZ-O 3.28Å; L206-Y210 HydrophobicContact CD2-CD2 4.12Å; L206-Y210 HydrophobicContact CD2-CE2 3.78Å; L206-Y210 WeakPolarHBondContact O-CD2 3.41Å; L206-Y210 PolarHBondContact O-N 3.08Å; Y210-P212 WeakPolarHBondContact O-CD 3.41Å
211N96.4Very high89.6Confident23 Ų2376.8 Ų76.812%0.12340%0.398CS..  trans-91.4115.8178.4-170.2-20.3000111.2F72 K207 F213 A214F72-N211 HydrophobicContact CD1-CB 3.92Å; F72-N211 HydrophobicContact CD2-CB 3.8Å; F72-N211 HydrophobicContact CE1-CB 3.91Å; F72-N211 HydrophobicContact CE2-CB 3.79Å; F72-N211 HydrophobicContact CG-CB 3.88Å; F72-N211 WeakPolarHBondContact CG-ND2 3.46Å; F72-N211 HydrophobicContact CZ-CB 3.87Å; K207-N211 WeakPolarHBondContact O-CB 3.4Å; K207-N211 PolarHBondContact O-N 3.05Å; K207-N211 VanDerWaalsContact O-N 3.13Å; N211-F213 PolarHBondContact O-N 2.87Å; N211-F213 VanDerWaalsContact O-N 3.09Å; N211-F213 WeakPolarHBondContact OD1-CB 3.39Å; N211-F213 WeakPolarHBondContact OD1-CD2 3.17Å; N211-F213 PolarHBondContact OD1-N 3.33Å; N211-A214 HydrophobicContact CB-CB 4.1Å; N211-A214 PolarHBondContact O-N 3.09Å
212P93.4Very high88.6Confident100 Ų10073.8 Ų73.865%0.64938%0.384SS*.G310 helixtrans-57.6-29.6179.2-25.635.7000113.6Y210 A214 K215Y210-P212 WeakPolarHBondContact O-CD 3.41Å; P212-A214 PolarHBondContact O-N 3.37Å; P212-K215 WeakPolarHBondContact O-CB 3.45Å; P212-K215 PolarHBondContact O-N 3.09Å
213F91.3Very high87.4Confident183 Ų18376.8 Ų76.880%0.80339%0.39SS*.G310 helixtrans-77.4-2.6177.4-58.3-75.3000113.9N211N211-F213 PolarHBondContact O-N 2.87Å; N211-F213 VanDerWaalsContact O-N 3.09Å; N211-F213 WeakPolarHBondContact OD1-CB 3.39Å; N211-F213 WeakPolarHBondContact OD1-CD2 3.17Å; N211-F213 PolarHBondContact OD1-N 3.33Å
214A91.4Very high86.1Confident15 Ų1579 Ų7912%0.12441%0.406CS..G310 helixtrans-109.4-1.8173.400000113.2N211 P212 A216 F217N211-A214 HydrophobicContact CB-CB 4.1Å; N211-A214 PolarHBondContact O-N 3.09Å; P212-A214 PolarHBondContact O-N 3.37Å; A214-A216 PolarHBondContact O-N 2.73Å; A214-F217 HydrophobicContact CB-CD2 4.46Å; A214-F217 WeakPolarHBondContact O-CD2 3.34Å; A214-F217 PolarHBondContact O-N 3.23Å
215K77.1Confident84.9Confident116 Ų11680.5 Ų80.550%0.50441%0.412SS..Hα-helixtrans-54.2-31.1-175.2178.2168.8176.2172.40114.1P212 F217 L218 D219P212-K215 WeakPolarHBondContact O-CB 3.45Å; P212-K215 PolarHBondContact O-N 3.09Å; K215-F217 PolarHBondContact O-N 3.33Å; K215-L218 WeakPolarHBondContact O-CA 3.32Å; K215-L218 WeakPolarHBondContact O-CB 3.45Å; K215-L218 PolarHBondContact O-N 3Å; K215-D219 WeakPolarHBondContact CE-OD1 3.49Å; K215-D219 VanDerWaalsContact CG-OD1 3.22Å; K215-D219 WeakPolarHBondContact CG-OD1 3.22Å; K215-D219 IonicContact NZ-OD1 3.94Å; K215-D219 PolarHBondContact O-N 3.07Å
216A81.1Confident83.4Confident77 Ų7784.1 Ų84.164%0.63642%0.419SS*.Hα-helixtrans-57.3-23.1176.800000114.4A214 A220A214-A216 PolarHBondContact O-N 2.73Å; A216-A220 WeakPolarHBondContact O-CB 2.76Å; A216-A220 PolarHBondContact O-N 2.96Å
217F78.4Confident81.9Confident141 Ų14188.9 Ų88.962%0.61844%0.439SS*.Hα-helixtrans-83-28.2173.2-60.3-74.4000112.8I208 A214 K215 K221I208-F217 HydrophobicContact CD1-CB 4.11Å; I208-F217 HydrophobicContact CG1-CB 4.2Å; I208-F217 HydrophobicContact CG2-CB 3.97Å; A214-F217 HydrophobicContact CB-CD2 4.46Å; A214-F217 WeakPolarHBondContact O-CD2 3.34Å; A214-F217 PolarHBondContact O-N 3.23Å; K215-F217 PolarHBondContact O-N 3.33Å; F217-K221 PolarHBondContact O-N 3.05Å
218L76.6Confident80.3Confident57 Ų5794.7 Ų94.730%0.29847%0.466SS..Hα-helixtrans-70.8-50.9173-172.370.7000110.2I208 K215 A220 K221 E222I208-L218 HydrophobicContact CG2-CB 4.08Å; K215-L218 WeakPolarHBondContact O-CA 3.32Å; K215-L218 WeakPolarHBondContact O-CB 3.45Å; K215-L218 PolarHBondContact O-N 3Å; L218-A220 PolarHBondContact O-N 2.88Å; L218-A220 VanDerWaalsContact O-N 3.07Å; L218-K221 PolarHBondContact O-N 3.07Å; L218-E222 PolarHBondContact O-N 3.02Å
219D73.9Confident78.8Confident47 Ų4797.7 Ų97.725%0.25148%0.48SS..Hα-helixtrans-59.3-21.5177.3-66.410.6000113.2K215 R223K215-D219 WeakPolarHBondContact CE-OD1 3.49Å; K215-D219 VanDerWaalsContact CG-OD1 3.22Å; K215-D219 WeakPolarHBondContact CG-OD1 3.22Å; K215-D219 IonicContact NZ-OD1 3.94Å; K215-D219 PolarHBondContact O-N 3.07Å; D219-R223 WeakPolarHBondContact O-CD 3.33Å; D219-R223 VanDerWaalsContact O-CG 3.29Å; D219-R223 WeakPolarHBondContact O-CG 3.49Å; D219-R223 PolarHBondContact O-NE 3.48Å
220A76.5Confident77.1Confident55 Ų5598.9 Ų98.946%0.45549%0.49SS..Hα-helixtrans-80.9-42.2174.300000111.9A216 L218 R223 S224A216-A220 WeakPolarHBondContact O-CB 2.76Å; A216-A220 PolarHBondContact O-N 2.96Å; L218-A220 PolarHBondContact O-N 2.88Å; L218-A220 VanDerWaalsContact O-N 3.07Å; A220-R223 PolarHBondContact O-N 3.16Å; A220-S224 PolarHBondContact O-N 2.98Å
221K75.8Confident75.4Confident127 Ų127101.1 Ų101.155%0.55250%0.503SS*.Hα-helixtrans-67.8-44.4177.6-173.4178.3178.4-175.40111.9F217 L218 R223 S224 D225F217-K221 PolarHBondContact O-N 3.05Å; L218-K221 PolarHBondContact O-N 3.07Å; K221-R223 PolarHBondContact O-N 3Å; K221-S224 PolarHBondContact O-N 2.8Å; K221-S224 PolarHBondContact O-OG 2.92Å; K221-D225 WeakPolarHBondContact CE-OD2 3.29Å; K221-D225 WeakPolarHBondContact CG-OD1 3.34Å; K221-D225 VanDerWaalsContact O-CG 3.23Å; K221-D225 PolarHBondContact O-N 3.31Å
222E76.2Confident73.5Confident103 Ų103107.5 Ų107.548%0.48153%0.532SS..Hα-helixtrans-56.4-28.8177.2-68.4176.6175.700111.8L218 H226L218-E222 PolarHBondContact O-N 3.02Å; E222-H226 WeakPolarHBondContact O-CB 3.43Å; E222-H226 PolarHBondContact O-CD2 3.05Å; E222-H226 PolarHBondContact O-N 3.34Å; E222-H226 VanDerWaalsContact O-N 3.16Å
223R72.5Confident71.8Confident180 Ų180108 Ų10868%0.67953%0.533SS*.Hα-helixtrans-81.5-27.1176-65.9175.4-150.9179.95.6115D219 A220 K221 K227D219-R223 WeakPolarHBondContact O-CD 3.33Å; D219-R223 VanDerWaalsContact O-CG 3.29Å; D219-R223 WeakPolarHBondContact O-CG 3.49Å; D219-R223 PolarHBondContact O-NE 3.48Å; A220-R223 PolarHBondContact O-N 3.16Å; K221-R223 PolarHBondContact O-N 3Å; R223-K227 PolarHBondContact O-N 3Å
224S71.6Confident70Confident47 Ų47102 Ų10233%0.32952%0.523SS..Hα-helixtrans-68.8-50.9169.545.50000109.7A220 K221 H226 K227 E228A220-S224 PolarHBondContact O-N 2.98Å; K221-S224 PolarHBondContact O-N 2.8Å; K221-S224 PolarHBondContact O-OG 2.92Å; S224-H226 VanDerWaalsContact C-N 3.3Å; S224-H226 PolarHBondContact O-N 3.32Å; S224-K227 WeakPolarHBondContact O-CB 3.45Å; S224-K227 PolarHBondContact O-N 2.72Å; S224-E228 PolarHBondContact O-N 3.05Å
225D70.7Confident68.2Low74 Ų74108.9 Ų108.940%0.39656%0.558SS.*Hα-helixtrans-64-37.7-172.7-55.913.3000110.6K221 M229K221-D225 WeakPolarHBondContact CE-OD2 3.29Å; K221-D225 WeakPolarHBondContact CG-OD1 3.34Å; K221-D225 VanDerWaalsContact O-CG 3.23Å; K221-D225 PolarHBondContact O-N 3.31Å; D225-M229 PolarHBondContact O-N 3.28Å
226H67Low66.9Low132 Ų132108.5 Ų108.561%0.61157%0.57SS**Hα-helixtrans-68.7-29.4171.6-84.5-53.2000114.7E222 S224 M230E222-H226 WeakPolarHBondContact O-CB 3.43Å; E222-H226 PolarHBondContact O-CD2 3.05Å; E222-H226 PolarHBondContact O-N 3.34Å; E222-H226 VanDerWaalsContact O-N 3.16Å; S224-H226 VanDerWaalsContact C-N 3.3Å; S224-H226 PolarHBondContact O-N 3.32Å; H226-M230 WeakPolarHBondContact O-CB 3.5Å; H226-M230 PolarHBondContact O-N 3.4Å
227K65.9Low65.2Low127 Ų127113.4 Ų113.455%0.55258%0.58SS**Hα-helixtrans-73.3-47.1177.4-179.2-178.5176.2-72.60110.5R223 S224 M229 M230 E231R223-K227 PolarHBondContact O-N 3Å; S224-K227 WeakPolarHBondContact O-CB 3.45Å; S224-K227 PolarHBondContact O-N 2.72Å; K227-M229 PolarHBondContact O-N 3.48Å; K227-M230 PolarHBondContact O-N 2.92Å; K227-M230 VanDerWaalsContact O-N 3.15Å; K227-E231 IonicContact NZ-OE2 2.79Å; K227-E231 PolarHBondContact NZ-OE2 3.31Å; K227-E231 PolarHBondContact O-N 3.15Å
228E63.2Low63.4Low127 Ų127114.9 Ų114.959%0.59359%0.588SS**Hα-helixtrans-61.8-45.2-177.1-69.4173.6-169.500111.2S224 M230 E231 E232S224-E228 PolarHBondContact O-N 3.05Å; E228-M230 VanDerWaalsContact C-N 3.29Å; E228-M230 PolarHBondContact O-N 3.08Å; E228-E231 WeakPolarHBondContact O-CB 3.46Å; E228-E231 PolarHBondContact O-N 3.01Å; E228-E231 VanDerWaalsContact O-N 3.08Å; E228-E232 PolarHBondContact O-N 3.41Å
229M63.5Low61.9Low112 Ų112118 Ų11855%0.55261%0.612SS**Hα-helixtrans-64.6-28.9175.7-177.2164.949.200113.6D225 K227 T233D225-M229 PolarHBondContact O-N 3.28Å; K227-M229 PolarHBondContact O-N 3.48Å; M229-T233 WeakPolarHBondContact O-CB 3.45Å; M229-T233 PolarHBondContact O-N 3.2Å; M229-T233 PolarHBondContact O-OG1 3.44Å
230M61Low60.1Low155 Ų155118.3 Ų118.376%0.76463%0.626SS**Hα-helixtrans-76.6-27.2174.2-171.1173179.700112.5H226 K227 E228H226-M230 WeakPolarHBondContact O-CB 3.5Å; H226-M230 PolarHBondContact O-N 3.4Å; K227-M230 PolarHBondContact O-N 2.92Å; K227-M230 VanDerWaalsContact O-N 3.15Å; E228-M230 VanDerWaalsContact C-N 3.29Å; E228-M230 PolarHBondContact O-N 3.08Å
231E59.4Low58.2Low125 Ų125126.1 Ų126.158%0.58465%0.646SS**Hα-helixtrans-77.7-43.6175.9-151.7157.2158.400110.6K227 E228 T233 G234K227-E231 IonicContact NZ-OE2 2.79Å; K227-E231 PolarHBondContact NZ-OE2 3.31Å; K227-E231 PolarHBondContact O-N 3.15Å; E228-E231 WeakPolarHBondContact O-CB 3.46Å; E228-E231 PolarHBondContact O-N 3.01Å; E228-E231 VanDerWaalsContact O-N 3.08Å; E231-T233 PolarHBondContact O-N 3.13Å; E231-G234 PolarHBondContact O-N 3.24Å; E231-G234 VanDerWaalsContact O-N 3.13Å
232E56.3Low56.4Low157 Ų157125 Ų12573%0.73465%0.654SS**Hα-helixtrans-62.6-38175.4-170.9179.3173.400112.9E228 G234E228-E232 PolarHBondContact O-N 3.41Å; E232-G234 PolarHBondContact O-N 3.43Å
233T58.5Low54.6Low111 Ų111127.7 Ų127.768%0.68167%0.666SS**THydrogen-bonded Turntrans-66.9-16.5177.2-55.40000112.8M229 E231M229-T233 WeakPolarHBondContact O-CB 3.45Å; M229-T233 PolarHBondContact O-N 3.2Å; M229-T233 PolarHBondContact O-OG1 3.44Å; E231-T233 PolarHBondContact O-N 3.13Å
234G54.4Low52.7Low58 Ų58131.8 Ų131.860%0.59868%0.682SS**THydrogen-bonded Turntrans-76.3-29.6-174.200000115.7E231 E232 S236E231-G234 PolarHBondContact O-N 3.24Å; E231-G234 VanDerWaalsContact O-N 3.13Å; E232-G234 PolarHBondContact O-N 3.43Å; G234-S236 PolarHBondContact O-N 2.62Å
235D52.1Low50.9Low159 Ų159131.7 Ų131.785%0.8569%0.688SS**THydrogen-bonded Turntrans-92.96.6-162.2-148.930.2000114.6
236S49.9Very low49.3Very low108 Ų108139.7 Ų139.776%0.75571%0.713SS**THydrogen-bonded Turntrans-98.85.1-174.9-700000115.7G234G234-S236 PolarHBondContact O-N 2.62Å
237Q45.2Very low47.8Very low179 Ų179142.5 Ų142.584%0.83672%0.724SS**  trans-137.990.5175.8-69.5-168.742.300113.5
238Q41.3Very low46.5Very low172 Ų172144.2 Ų144.280%0.80474%0.738SS**  trans-121.9113.8162-111.8-63.3-39.900110.2
239P45.6Very low45.6Very low122 Ų122143.9 Ų143.979%0.79275%0.747SS**  trans-140.2102.9138.834.4-19000113.6
240G35.8Very low44.3Very low54 Ų54141.8 Ų141.856%0.55775%0.754SS**  trans94.3137.2141.400000119.1
241Y35.9Very low43Very low220 Ų220140.5 Ų140.586%0.86376%0.755SS**  trans39.3119.6156.2-86.9-101.3000118.6
242S39.3Very low41.8Very low102 Ų102139.4 Ų139.471%0.71376%0.761SS**  -178.8129.66137.30000109.7
243Q37.4Very low40.9Very low161 Ų161137.7 Ų137.775%0.75276%0.762SS**  88.38984.1-166.8-166.7-2.700115.5
244W32.3Very low39.8Very low266 Ų266140 Ų140100%1.00877%0.769SS**  trans-147.6139.6140.2-62.893000107.8
245G34.1Very low38.8Very low44 Ų44142.7 Ų142.745%0.45478%0.777SS.*  cis164.731.2-3.400000116.8
246W37.3Very low39.1Very low243 Ų243141 Ų14192%0.9278%0.775SS**  trans-135.2161.7177.2-64.8110.6000112.8
247F35.8Very low39.7Very low191 Ų191140.9 Ų140.984%0.83877%0.772SS**  trans-97.6154.3-148-71.4-100.1000117.3
248L38.1Very low39.2Very low162 Ų162139.5 Ų139.585%0.84878%0.776SS**  trans-70.1-178.5162.9-76.2161.8000112
249P45.3Very low38.9Very low120 Ų120138.6 Ų138.678%0.77978%0.777SS**  cis-122.1162.90.540-24.8000113.7
250G34.4Very low39.2Very low69 Ų69137.8 Ų137.871%0.71177%0.771SS**  116.5157.173.200000109.3
251T34.5Very low39.2Very low127 Ų127143.8 Ų143.878%0.77978%0.784SS**  cis-149.3148.60.251.60000111
252S33.9Very low40.2Very low102 Ų102137.8 Ų137.871%0.71377%0.772SS**  trans23.2141.2133-44.70000120.7
253T37.3Very low40Very low121 Ų121140.8 Ų140.874%0.74278%0.775SS**  cis-176.2175.25.914.30000111.5
254L35.6Very low40Very low161 Ų161142.3 Ų142.384%0.84378%0.779SS**  trans88.6152.9152.8-73.3146.8000120.7
255C34.3Very low40Very low113 Ų113133.1 Ų133.176%0.76477%0.767SS**  trans-147.3-168.2-178.1-36.90000107.3
256P57.4Low40Very low125 Ų125135 Ų13581%0.81279%0.787SS**  cis-121.2-108.3-23.920.15.2000114
257P64.1Low39.9Very low105 Ų105128.1 Ų128.168%0.68278%0.782SS**  -129.7174.4-123.441.9-24.2000117.1
258T33.4Very low39.9Very low149 Ų149127 Ų12791%0.91478%0.784SS**  trans173.1176131.631.60000114.5
259N34.4Very low39.6Very low154 Ų154124.2 Ų124.282%0.82478%0.778SS**  trans-109.3-175.2-170.3-107.3-8000111.3
260P53.7Low39.2Very low104 Ų104126.2 Ų126.268%0.67578%0.781SS**  cis-142.4175.2-31.439.4-21.7000116.1
261H35.2Very low40.3Very low181 Ų181128.4 Ų128.484%0.83878%0.782SS**  trans69.1171.5148.7-121.533.4000119.4
262P55.9Low40.3Very low93 Ų93127.2 Ų127.260%0.60478%0.779SS**  -128.9172.1-52.634-18.4000114.3
263Q36.8Very low40.2Very low165 Ų165127.3 Ų127.377%0.77178%0.776SS**  175.9157.2126.6-99.9-17734.400114.7
264F37Very low40.3Very low193 Ų193130.5 Ų130.585%0.84678%0.782SS**  trans16.9145.7166.4-62.5-78.7000122
265G32Very low40.1Very low73 Ų73126.5 Ų126.575%0.75378%0.779SS**  cis154.7155.9-100000112.2
266G34Very low39.9Very low85 Ų85127 Ų12788%0.87678%0.783SS**  trans131.6142.317600000114
267A35Very low38.8Very low97 Ų97127.5 Ų127.580%0.80278%0.779SS**  trans-138.7164.9179.300000110.2
268L35.7Very low37.4Very low168 Ų168131.6 Ų131.688%0.8878%0.781SS**  trans-174.8133.4137.2-100.9167.5000114.2
269S32.2Very low37.4Very low103 Ų103134.9 Ų134.972%0.7278%0.778SS**  trans6.5147.1155.6-51.90000125.6
270L37.5Very low37.3Very low163 Ų163136.2 Ų136.285%0.85378%0.779SS**  trans-73.9-167.9163.8-47.775000112.6
271P56.5Low36.3Very low114 Ų114135.6 Ų135.674%0.7478%0.783SS**  cis-138.1-153.6-10.738.4-15.9000114.6
272S33.7Very low36.5Very low102 Ų102133.8 Ų133.871%0.71378%0.779SS**  trans85.9144.9154.5-116.60000118.8
273T33.7Very low35.6Very low104 Ų104140.2 Ų140.264%0.63879%0.791SS**  cis-165.5161-14.65.10000112.1
274H38.8Very low35.5Very low188 Ų188137.5 Ų137.587%0.8779%0.79SS**  trans33.8140.7154.1-53-59.8000123.4
275G30.2Very low35.4Very low77 Ų77137.6 Ų137.679%0.79479%0.793SS**  trans155.3111.7145.800000119.9
276C31.7Very low35.6Very low125 Ų125145.6 Ų145.685%0.84580%0.8SS**  trans6.2127.7157.1-63.50000124.1
277D34.4Very low35.8Very low134 Ų134147.1 Ų147.172%0.71780%0.798SS**  49.2129.6120.8-106.5-81.8000123.8
278R33.1Very low36.2Very low191 Ų191148 Ų14872%0.72180%0.797SS**  trans68.9112.2137.8-169.7-175.2-52.9-169.93.5120.1
279Y33.8Very low36.8Very low218 Ų218144.7 Ų144.786%0.85579%0.786SS**  -159.5158.6104.6-112.6-78.4000112.1
280Q33.4Very low37.2Very low183 Ų183150.5 Ų150.586%0.85579%0.794SS**  trans-93144177.6-63.4172.9-38.500111.5
281A32.6Very low37.5Very low90 Ų90148.5 Ų148.574%0.74479%0.791SS**  170.3140.5118.500000113
282L39.1Very low36.6Very low144 Ų144148.4 Ų148.475%0.75479%0.793SS**  trans143.4125.6131.6-77.8169.2000113.4
283R37Very low37.2Very low227 Ų227148.9 Ų148.986%0.85779%0.793SS**  trans63132.8145.4-64.3176.4-171.1-140.62.8118
284S33.6Very low37.3Very low109 Ų109154.7 Ų154.776%0.76281%0.805SS**  cis-155157.2-0.3-78.10000110.6
285H35.3Very low37.3Very low194 Ų194150.5 Ų150.590%0.89880%0.803SS**  trans-70.9152.5170.3-79.3-102.3000113
286R36.7Very low37.6Very low242 Ų242156.2 Ų156.291%0.91381%0.809SS**  trans-133.4147.5145-146.4175.8-164-89.91.4109.3
287S37.4Very low37.7Very low117 Ų117162 Ų16282%0.81881%0.812SS**PPolyproline II helixtrans-88.8146.3-158.9-42.90000114.6
288S42.9Very low37.8Very low114 Ų114161.7 Ų161.780%0.79781%0.811SS**PPolyproline II helixtrans-100.6138.6164-1740000110.1
289P48.5Very low37.8Very low100 Ų100160 Ų16065%0.64982%0.816SS**PPolyproline II helixtrans-87157.6175.534.7-33.6000113.1
290Y41.7Very low37.8Very low225 Ų225154.5 Ų154.588%0.88281%0.81SS**  trans77.6134.5177.6-66.5-81.1000118.6
291P44.3Very low38.8Very low120 Ų120151.1 Ų151.178%0.77980%0.804SS**  trans-99.8151-17814.36.9000113.8
292S37.6Very low38.8Very low112 Ų112152.2 Ų152.278%0.78380%0.801SS**  trans-97.8127.6168.5-177.70000110.9Y294S292-Y294 PolarHBondContact O-N 3.47Å
293P44.7Very low38.5Very low112 Ų112155.5 Ų155.573%0.72781%0.805SS**  trans-101.464.6-171.439.4-36.2000114.3
294Y36.3Very low38.2Very low227 Ų227149.1 Ų149.189%0.8980%0.795SS**  trans-141.4106.1160.6-86.3-70.2000111.6S292S292-Y294 PolarHBondContact O-N 3.47Å
295A38.7Very low38Very low99 Ų99150.9 Ų150.982%0.81880%0.796SS**  trans-107.4119.5171.500000109.7
296H36.2Very low37.9Very low198 Ų198149 Ų14992%0.91779%0.793SS**  trans-66.8137.2167.4-74.9-91.5000110.1
297R35.2Very low37.8Very low245 Ų245143 Ų14393%0.92579%0.788SS**  trans-132.1115.3162.5-162.8173.9-173179.21.8109.3
298N35.6Very low38.5Very low128 Ų128143.2 Ų143.268%0.68479%0.786SS**  trans-87.9144.3174.9-173.422000110.1
299N32.6Very low38.1Very low156 Ų156142.5 Ų142.583%0.83479%0.787SS**  trans-179.5136.6137.6-95.22.8000110.3
300S35.3Very low37.3Very low103 Ų103143.6 Ų143.672%0.7280%0.796SS**  trans-100.3-179.7169.4-29.10000109.5
301P53.1Low36.9Very low112 Ų112141.2 Ų141.273%0.72780%0.798SS**  cis-113.3-153.92130-6000112
302T33.1Very low36.3Very low112 Ų112140.7 Ų140.769%0.68780%0.797SS**  cis-161.8178.118.8-18.30000113.5
303Y33Very low36.2Very low214 Ų214141.6 Ų141.684%0.83980%0.797SS**  trans-11.9144.6151.8-82.8-80.3000118.3
304S30.8Very low35.8Very low92 Ų92143.6 Ų143.664%0.64380%0.801SS**  cis-152.5159.313.1-57.40000114.7
305D30.1Very low35.5Very low146 Ų146140.8 Ų140.878%0.78180%0.796SS**  trans61.8150.9140-76-37.5000126.3
306N32.1Very low35.2Very low156 Ų156140.4 Ų140.483%0.83479%0.787SS**  trans76116.3158.6-69.6-24.9000121.9
307S34.2Very low35.1Very low116 Ų116139.2 Ų139.281%0.81178%0.782SS**  trans-90.2-174.8163-51.70000109.8
308P52.7Low35Very low121 Ų121133.8 Ų133.879%0.78677%0.771SS**  cis-137.5176.12.242-23.7000117.5
309A34.3Very low34.8Very low98 Ų98134 Ų13481%0.8177%0.772SS**  trans-1015016100000122.2
310C30.9Very low34.8Very low123 Ų123136.5 Ų136.583%0.83177%0.77SS**  trans-139140.2144.158.90000112.1
311L35.2Very low34.9Very low176 Ų176136 Ų13692%0.92177%0.767SS**  trans-145.1108.1172-88.8177.3000109
312S31.5Very low33.8Very low109 Ų109135.5 Ų135.576%0.76277%0.766SS**  trans-167.8139.9161.5450000107.8
313V35.2Very low33.8Very low130 Ų130138.5 Ų138.579%0.78878%0.777SS**  cis80.586.233.8-173.30000113.5
314L35.6Very low33.8Very low154 Ų154131.7 Ų131.781%0.80677%0.772SS**  trans57149136-74.8169.4000123.8
315Q31.3Very low34.1Very low168 Ų168136.1 Ų136.179%0.78578%0.784SS**  trans86.1100.1149.6-81.1170.4-20.300122.1
316S31.6Very low34.9Very low91 Ų91135.4 Ų135.464%0.63679%0.788SS**  35.5127.4122.658.40000122.5
317H34.2Very low34.9Very low174 Ų174131.8 Ų131.881%0.80678%0.779SS**  -164.3-179.6116.1-110.2-72000112.7
318D32.9Very low35.2Very low131 Ų131134.8 Ų134.870%0.70178%0.78SS**  trans-65.9176.5-168.5-45.2-79.5000114.7
319N32.1Very low35.2Very low133 Ų133134.8 Ų134.871%0.71178%0.78SS**  cis-173.7174.840.1-154.1-16.1000114.3
320W31.7Very low35.3Very low207 Ų207135.6 Ų135.678%0.78478%0.78SS**  trans85.3102.1155.4-128.2-92.5000122.3
321S36.7Very low35.5Very low93 Ų93138.9 Ų138.965%0.6579%0.785SS**  26.4147.6118.6-530000121.1
322S30.9Very low35.7Very low101 Ų101138.1 Ų138.171%0.70678%0.782SS**  cis-175.3-178.410.136.10000112.3
323L33.5Very low36.6Very low175 Ų175138.5 Ų138.592%0.91678%0.781SS**  trans81.8140.1173.7-48.8171.9000115
324G32Very low36.6Very low71 Ų71138.7 Ų138.773%0.73278%0.782SS**  cis-171.5163.4-5.300000111.9
325M37.2Very low36.5Very low185 Ų185135.9 Ų135.991%0.91178%0.776SS**  trans-91.4156.1-178-67.7-70.9167.800113
326P46.8Very low36.7Very low131 Ų131137.1 Ų137.185%0.85178%0.781SS**  -140-176.6108.938.6-25.7000114.1
327A32.8Very low36.8Very low80 Ų80140.2 Ų140.266%0.66179%0.79SS**  trans-135.3-170-16900000114.1
328H40.1Very low36.7Very low180 Ų180136.7 Ų136.783%0.83379%0.791SS**  trans84.8157.1172.6-47.3-71.4000117.2
329P53.6Low36.8Very low121 Ų121135.8 Ų135.879%0.78680%0.796SS**  cis-138.3175.8-43.238.7-22.8000115.8
330S34.7Very low38.1Very low115 Ų115135 Ų13580%0.80480%0.798SS**  trans-29.4144.5174.1-42.60000121.9
331M35.5Very low39.3Very low191 Ų191130.6 Ų130.694%0.94180%0.796SS**  trans-154.4156.8137.3-88.9-146.4173.500112.7
332L39.1Very low39.2Very low161 Ų161132.2 Ų132.284%0.84380%0.802SS**  trans-125.9156.3165.1-70.8172.8000107.8
333P50.8Low39.3Very low116 Ų116132.4 Ų132.475%0.75380%0.803SS**  -153.9151.6105.436.8-18.3000118.3
334V35.5Very low39.4Very low134 Ų134129.6 Ų129.681%0.81280%0.798SS**  trans62.3121.3136.2-179.50000122.7
335S33.6Very low39.5Very low95 Ų95131.5 Ų131.566%0.66480%0.801SS**  trans-46164.9163.5-35.40000119.9
336H35.8Very low39.3Very low194 Ų194131.8 Ų131.890%0.89880%0.8SS**  trans-138.6151.8146.8-90.5-82.9000111.5
337N32.8Very low38.5Very low156 Ų156135.6 Ų135.683%0.83480%0.799SS**  trans-102.7150.6-173.9-70.7-14000113.5
338A33.3Very low39.4Very low100 Ų100136.7 Ų136.783%0.82680%0.799SS**  trans-161.7147.7141.100000111.9
339S34.7Very low39Very low113 Ų113133.5 Ų133.579%0.7980%0.797SS**  trans-163.8-175.4177.4-30.40000107.9
340P59.4Low38.1Very low117 Ų117135.1 Ų135.176%0.7680%0.798SS**  cis-121.3-141.7-24.640.1-21000107.3
341P57.7Low37.9Very low114 Ų114141.1 Ų141.174%0.7480%0.803SS**  cis-115.9-152-17.122.94.4000110.6
342T33.9Very low37.7Very low126 Ų126137.6 Ų137.677%0.77380%0.797SS**  cis-148.4-162.920.758.20000113.4
343S33.2Very low37.4Very low105 Ų105136.7 Ų136.773%0.73480%0.798SS**  trans-57.3157.8175.650.50000116.1
344S35.6Very low36.4Very low117 Ų117136.2 Ų136.282%0.81880%0.797SS**  cis-152.116540.350.40000116.3
345S34.2Very low36.3Very low111 Ų111138.2 Ų138.278%0.77680%0.804SS**  trans-70.8171.3-176.1-44.20000113.2
346Q32.8Very low36.1Very low191 Ų191137.4 Ų137.489%0.89381%0.81SS**  cis-150.4161.237.9-63.2174.1-6.900114.4
347Y30.6Very low36.1Very low211 Ų211132.9 Ų132.983%0.82781%0.807SS**  trans-114178.9171.8-104.4-91.3000108.5
348P51Low36.1Very low102 Ų102132 Ų13266%0.66281%0.806SS**  cis-127177.9-8.841.4-25.7000113.3
349S32.5Very low36.2Very low114 Ų114133.8 Ų133.880%0.79781%0.807SS**  -166.1137.295.3-71.40000111.7
350L32.8Very low36.7Very low155 Ų155134.6 Ų134.681%0.81281%0.81SS**  trans-117.2147.7-179.9-72162.6000110.7
351W32.2Very low35.3Very low241 Ų241132.7 Ų132.791%0.91381%0.812SS**  trans-142.3120.315653.1-86.1000110.3
352S31.4Very low34.1Very low116 Ų116132.8 Ų132.881%0.81182%0.815SS**  trans-168.592.2177-800000111.2
353V31.9Very low34.1Very low142 Ų142135.5 Ų135.586%0.86182%0.819SS**  trans-156.3140.3169.3-173.60000107
354S30.8Very low34.1Very low106 Ų106135.2 Ų135.274%0.74182%0.823SS**  cis-161.8159.6-32.3-93.60000107.3
355N31.8Very low33.9Very low177 Ų177134.5 Ų134.595%0.94782%0.824SS**  trans-67.8146.6168.2-104.4-8.2000111.3
356G31.1Very low33.8Very low78 Ų78132.8 Ų132.880%0.80482%0.816SS**  trans-153.3124.7170.700000111.3
357A34.6Very low33.9Very low99 Ų99132 Ų13282%0.81882%0.815SS**  trans-145114179.800000110.4
358V33.9Very low34.1Very low137 Ų137126.3 Ų126.383%0.8381%0.806SS**  trans-148.1131.1172-172.60000110.3
359T35.1Very low33.1Very low137 Ų137129.3 Ų129.384%0.8482%0.816SS**  trans-125.8141153.445.30000106.4
360P45.5Very low33Very low130 Ų130126.8 Ų126.884%0.84481%0.808SS**  -152.2170.794.439.1-21.1000115.6
361G28.6Very low33.3Very low78 Ų78128.4 Ų128.480%0.80482%0.817SS**  trans173.6146.3170.900000111.6
362S33.9Very low33.2Very low115 Ų115120.2 Ų120.280%0.80481%0.807SS**  trans-147.5174.1-165.564.20000115.7
363Q33.5Very low33.4Very low184 Ų184119.5 Ų119.586%0.8681%0.808SS**  trans90.5122.1179.8-53.5-175.123.700114.3
364A32.3Very low33.5Very low99 Ų99119.9 Ų119.982%0.81880%0.801SS**  cis85.7136.34600000112.7
365A32.1Very low33.5Very low101 Ų101122.6 Ų122.684%0.83580%0.799SS**  cis-156.6-155.6-9.400000107.7
366A32.1Very low33.6Very low75 Ų75123.8 Ų123.862%0.6280%0.797SS**  cis-166.9174.37.900000111.4
367M34.9Very low33.8Very low175 Ų175131.7 Ų131.786%0.86280%0.802SS**  trans70149.9158.7-56.9-43.9165.500118.8
368S33.6Very low33.6Very low91 Ų91130.3 Ų130.364%0.63680%0.798SS**  cis-160.9169.3-9.645.60000112.2
369N31.9Very low33.7Very low166 Ų166129.6 Ų129.689%0.88880%0.799SS**  trans67.8146.2169.8-61-12.5000117.8
370G29.3Very low34.3Very low61 Ų61128.5 Ų128.563%0.62979%0.794SS**  cis154.1145.8-8.500000113.1
371L38.8Very low33.8Very low189 Ų189127 Ų12799%0.9979%0.792SS**  trans70139.9-177.7-44.3174.2000115.2
372G30.2Very low34.2Very low69 Ų69131.3 Ų131.371%0.71179%0.791SS**  cis163.6116.8-15.500000115.3
373A35.2Very low34.2Very low100 Ų100136.5 Ų136.583%0.82680%0.795SS**  trans64.5162.5157.700000119.4
374Q34.1Very low34.3Very low151 Ų151132.4 Ų132.471%0.70679%0.792SS**  cis-164155.2-33.4-109.2-171.1-26.600110.3
375F32.3Very low35.1Very low163 Ų163133.4 Ų133.472%0.71579%0.79SS**  trans64160.5168.2-54.5-57.3000116.4
376F33.9Very low35.2Very low202 Ų202136.7 Ų136.789%0.88679%0.793SS**  cis-129.4179.318.1-99.1-88.8000114.8
377R34.7Very low35.3Very low243 Ų243139 Ų13992%0.91780%0.799SS**  trans-142117.5-173.4-178.3-164.5-164.5-154.18.2112
378G29Very low35.4Very low71 Ų71138.4 Ų138.473%0.73279%0.794SS**  trans76.7168.3167.200000116.3
379S36.7Very low36.2Very low121 Ų121140 Ų14085%0.84680%0.803SS**  cis-143.5-133.9-6.1-62.70000111.3
380P47.3Very low36.4Very low115 Ų115138.1 Ų138.175%0.74780%0.797SS**  trans-112.5-178.1-148.833-10.2000115.2
381A35.7Very low36.6Very low97 Ų97141 Ų14180%0.80281%0.807SS**  trans-116.5145.9175.500000112.5
382H36Very low36.6Very low169 Ų169136.5 Ų136.578%0.78280%0.797SS**  trans-135.3134.9176.5-79.3-74.9000112.6
383Y34.5Very low37.5Very low224 Ų224139.5 Ų139.588%0.87880%0.804SS**  trans17.6133.9152.6-75.1-87.3000123.5
384A36.3Very low37.5Very low98 Ų98140.3 Ų140.381%0.8180%0.804SS**  -150.1153.3129.800000110.7
385P49.2Very low37.7Very low120 Ų120138 Ų13878%0.77980%0.804SS**  trans-116.3175.3-16942.5-34.1000115.6
386L34Very low37.9Very low170 Ų170136.1 Ų136.189%0.8981%0.811SS**  trans-156.1175157.7-108.4172.3000111.6
387T33.2Very low37.7Very low123 Ų123130 Ų13076%0.75581%0.805SS**  trans-126.9178.5-148.746.20000117.2
388H37.9Very low37.9Very low164 Ų164124.3 Ų124.376%0.75980%0.803SS**  trans-54.6170.1-177.3-53-89000116.5
389P49.4Very low39.2Very low125 Ų125126.1 Ų126.181%0.81280%0.802SS**  -131.1165.597.338.8-32.8000115.6
390V36.6Very low39.1Very low126 Ų126127.4 Ų127.476%0.76480%0.798SS**  trans-115.7142.3170.4170.60000108.2
391S34.1Very low38.6Very low121 Ų121131.1 Ų131.185%0.84680%0.799SS**  trans-143.7115.4170.6-74.20000112.3
392A37.7Very low38.4Very low94 Ų94134 Ų13478%0.77780%0.795SS**  trans-158.6137.2162.600000109.7
393P49Very low38.3Very low133 Ų133129 Ų12986%0.86479%0.79SS**  trans-119.6152.216036-25.6000112.6
394S36.2Very low38.3Very low116 Ų116123.5 Ų123.581%0.81179%0.791SS**  trans-91.6-178.8171.654.80000110.1
395S37.8Very low38.2Very low102 Ų102123.2 Ų123.271%0.71379%0.789SS**  cis-173169.43260.60000114.2
396S37.3Very low37.5Very low124 Ų124122 Ų12287%0.86779%0.789SS**  trans70.1123.4139.5-160.60000122
397G29.8Very low37.6Very low74 Ų74118.3 Ų118.376%0.76378%0.782SS**  trans158.1116.715800000116.7
398S38.6Very low37.6Very low123 Ų123118 Ų11886%0.8678%0.781SS**  trans-141177.8168-42.90000108.1
399P56Low37.2Very low109 Ų109116.2 Ų116.271%0.70878%0.777SS**  cis-141-161.7-1.341.9-21.2000115.2
400L35Very low36.5Very low148 Ų148117.3 Ų117.378%0.77577%0.774SS**  trans86.6140.9149.1-81.8168000124
401Y37Very low36.3Very low193 Ų193117.6 Ų117.676%0.75778%0.776SS**  trans67.6148.7158.5-102.1-138.5000119.1
402E31.2Very low36.2Very low157 Ų157119 Ų11973%0.73477%0.774SS**  cis-156.7161.8-1.8-161.6176.3175.400112.3
403G33.2Very low36Very low65 Ų65119.2 Ų119.267%0.6777%0.77SS**  trans87.3120.6152.500000117.2
404A35.1Very low35.2Very low108 Ų108120.5 Ų120.589%0.89376%0.764SS**  cis73.5138.737.700000113.9
405A34.5Very low35.1Very low93 Ų93124.2 Ų124.277%0.76976%0.762SS**  cis-149.5147.30.600000109
406A34.3Very low34.7Very low95 Ų95126 Ų12679%0.78576%0.764SS**  76.3147.783.800000117.1
407A35.3Very low34.5Very low91 Ų91123.8 Ų123.875%0.75275%0.753SS**  trans72.2149.7170.900000116.7
408T33.1Very low34.7Very low117 Ų117125.3 Ų125.372%0.71876%0.758SS**  cis-160.2168.6-10.17.20000111.8
409D30.3Very low34.6Very low126 Ų126124.5 Ų124.567%0.67476%0.758SS**  trans67.8124.7146.5-60.7-26.9000124.9
410I34.5Very low33.7Very low149 Ų149129 Ų12976%0.76477%0.77SS**  51.8117.8125.5-51.3167.2000120.5
411V32.9Very low33.8Very low132 Ų132125.8 Ų125.880%0.877%0.773SS**  175.4105129.5148.40000104.6
412D31.1Very low33.8Very low149 Ų149127.3 Ų127.380%0.79778%0.777SS**  75.4153.777.8-154.412.1000113.9
413S34.2Very low34.1Very low99 Ų99128.2 Ų128.269%0.69279%0.786SS**  trans-100149-160-480000112.8
414Q31.7Very low34.4Very low160 Ų160132.1 Ų132.175%0.74879%0.79SS**  trans161.4132.5133.6-92.6-167.8-106.500112.9
415Y33.5Very low34.5Very low195 Ų195131.2 Ų131.277%0.76578%0.783SS**  trans63148.1144.9-76.7-110.9000118.7
416D30.7Very low34.6Very low140 Ų140131.8 Ų131.875%0.74978%0.781SS**  cis-157.3177.9-8.9-154.6-11.4000110.5
417A31.8Very low34.6Very low77 Ų77139.5 Ų139.564%0.63679%0.79SS**  trans66.6100.4145.600000121.4
418A34.2Very low35.2Very low105 Ų105141.3 Ų141.387%0.86879%0.792SS**  63.5115.4122.700000122.3
419A37.8Very low36.1Very low106 Ų106141.8 Ų141.888%0.87680%0.797SS**  trans-144138.4137.300000110.2
420Q36.5Very low37.1Very low204 Ų204142.5 Ų142.595%0.95381%0.805SS**  trans-100.1141.4177.5-67.9175.5-28.700110.8
421G37.3Very low38.2Very low80 Ų80140.4 Ų140.483%0.82580%0.804SS**  trans-14382.8176.800000112.6
422R36.1Very low39.2Very low225 Ų225139.6 Ų139.685%0.84980%0.802SS**  trans-81.4137.4167.4-72.9-174.2175.5-143.70.8109.7
423L38.2Very low40.5Very low176 Ų176138.5 Ų138.592%0.92180%0.802SS**  trans-119.6127.4161.7-74.4174.2000109.8
424I39.3Very low41.3Very low147 Ų147139.3 Ų139.375%0.75481%0.808SS**  trans-137.3120.2171.2-63.5177.8000107
425A36.5Very low41.8Very low90 Ų90144.5 Ų144.574%0.74484%0.835SS**  trans-154101166.100000106.1
426S36.7Very low42.3Very low104 Ų104142 Ų14273%0.72784%0.839SS**  90.1105.666.967.70000111.6
427W35Very low42.9Very low258 Ų258142.1 Ų142.198%0.97784%0.844SS**  trans-86.4151.7179.4-69.374000111.9
428T48.8Very low43.5Very low128 Ų128145.7 Ų145.779%0.78586%0.855SS**  trans-132.5124.7168.146.80000110.6
429P51.2Low44Very low128 Ų128148.1 Ų148.183%0.83186%0.855SS**  trans-85.5155.1174.234.2-33.7000111.8
430V51.8Low44.4Very low140 Ų140150.7 Ų150.785%0.84885%0.853SS**  trans-118.7132.6174.4177.80000109.5
431S56Low45Very low106 Ų106147.1 Ų147.174%0.74185%0.847SS**PPolyproline II helixtrans-89150.9179.4-58.20000112.3
432P54.8Low45.5Very low115 Ų115151.9 Ų151.975%0.74785%0.848SS**PPolyproline II helixtrans-78.4156.917733.3-36000112.8
433P58.5Low46.2Very low125 Ų125146.3 Ų146.381%0.81285%0.848SS**PPolyproline II helixtrans-83.1157.617335.2-35.1000112.5
434S50.2Low46.9Very low116 Ų116143.8 Ų143.881%0.81184%0.842SS**  trans-144.297.4171.7-66.10000111.7
435M44.1Very low47.6Very low269 Ų269143.5 Ų143.5100%1.32585%0.85SS**  trans-173.50132.1-103-169.1169.700110.5

Retrieved 435 of 435 residues in 112.9 ms (Link to these results)

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