A0A061IE76_CRIGR Loading...

Mothers against decapentaplegic homolog

AlphaFold DB (A0A6I9KSZ3), UniProt , Accession A0A061IE76, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Smad4, Length 552 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
1M37.1Very low50.6Low229 Ų229127.9 Ų127.9100%1.12870%0.701SS**  0113.30-69.8-174.9179.400105.3
2D30.6Very low53.8Low154 Ų154118.3 Ų118.382%0.82465%0.649SS**  -100.6150.6-122.8-55.9-65.8000115.1M4D2-M4 PolarHBondContact O-N 2.67Å
3N34.4Very low56.5Low154 Ų154118 Ų11882%0.82465%0.647SS**  trans-81.6101.8-172.6-168.836.7000109.7S5N3-S5 PolarHBondContact O-N 3.49Å
4M32.5Very low58.9Low194 Ų194114.6 Ų114.696%0.95663%0.628SS**  trans-85.290.4170.8-87.2-164.6177.600111.3D2D2-M4 PolarHBondContact O-N 2.67Å
5S34.1Very low61.1Low87 Ų87111.1 Ų111.161%0.60862%0.62SS**  trans-58.6146.9168.451.90000114.1N3N3-S5 PolarHBondContact O-N 3.49Å
6I42.1Very low63Low143 Ų143107 Ų10773%0.73360%0.6SS**  trans38.895.7145.7-50.9170.5000114.8N8I6-N8 PolarHBondContact O-N 3.45Å
7T44.8Very low64.7Low142 Ų142108.6 Ų108.687%0.87161%0.606SS**  trans-71.994.5166.151.80000109.8T9T7-T9 PolarHBondContact O-N 3.35Å
8N60.2Low66.2Low137 Ų137106.2 Ų106.273%0.73360%0.598SS**PPolyproline II helixtrans-49.9136.4163.7-78.6-22.9000109.6I6I6-N8 PolarHBondContact O-N 3.45Å
9T70.6Confident67.7Low91 Ų91100.7 Ų100.756%0.55857%0.567SS**PPolyproline II helixtrans-56.2123.7165.7-50.10000107.8T7 I58 T62T7-T9 PolarHBondContact O-N 3.35Å; T9-I58 HydrophobicContact CG2-CG2 4.2Å; T9-T62 HydrophobicContact CG2-CG2 4.22Å
10P81.9Confident69.2Low19 Ų1996.1 Ų96.112%0.12354%0.541CS..PPolyproline II helixtrans-66.1158.7-177.325.2-31.7000111.1D14 S22 I58P10-D14 WeakPolarHBondContact CA-OD2 3.5Å; P10-S22 WeakPolarHBondContact CG-OG 3.46Å; P10-I58 HydrophobicContact CG-CG2 4.04Å; P10-I58 VanDerWaalsContact O-CG2 3.32Å; P10-I58 WeakPolarHBondContact O-CG2 3.45Å
11T88.8Confident70.3Confident57 Ų5797.8 Ų97.835%0.3555%0.545SS..  trans-122.2167.7179.466.60000110.1N13 D14 I19 D55T11-N13 PolarHBondContact O-N 3.46Å; T11-N13 PolarHBondContact OG1-N 2.94Å; T11-D14 PolarHBondContact N-OD2 2.71Å; T11-D14 WeakPolarHBondContact O-CB 3.32Å; T11-D14 PolarHBondContact O-N 3.34Å; T11-D14 PolarHBondContact OG1-OD2 3.16Å; T11-I19 WeakPolarHBondContact O-CD1 3.33Å; T11-D55 WeakPolarHBondContact CA-OD1 3.47Å
12S88.6Confident73.1Confident12 Ų1288 Ų888%0.08450%0.498CS..THydrogen-bonded Turntrans-61.7-8.9173.566.50000114.5K51 D55S12-K51 WeakPolarHBondContact OG-CB 3.39Å; S12-D55 VanDerWaalsContact CB-CG 3.49Å; S12-D55 WeakPolarHBondContact CB-OD1 3.37Å; S12-D55 WeakPolarHBondContact CB-OD2 3.46Å; S12-D55 PolarHBondContact N-OD1 2.73Å; S12-D55 VanDerWaalsContact OG-CG 3.29Å; S12-D55 PolarHBondContact OG-OD1 3Å; S12-D55 PolarHBondContact OG-OD2 2.93Å
13N88.6Confident76.2Confident115 Ų11580.7 Ų80.762%0.61546%0.459SS*.THydrogen-bonded Turntrans-88.6-15.1173.9-62.4-57.4000113.4T11 K51T11-N13 PolarHBondContact O-N 3.46Å; T11-N13 PolarHBondContact OG1-N 2.94Å; N13-K51 PolarHBondContact OD1-NZ 3.22Å
14D90.6Very high79.1Confident71 Ų7174.6 Ų74.638%0.3843%0.426SS..SBendtrans-72.9159.8179.8-72-62.8000112.6P10 T11 C16 I19P10-D14 WeakPolarHBondContact CA-OD2 3.5Å; T11-D14 PolarHBondContact N-OD2 2.71Å; T11-D14 WeakPolarHBondContact O-CB 3.32Å; T11-D14 PolarHBondContact O-N 3.34Å; T11-D14 PolarHBondContact OG1-OD2 3.16Å; D14-C16 PolarHBondContact O-N 3.08Å; D14-I19 HydrophobicContact CB-CD1 4.41Å; D14-I19 HydrophobicContact CB-CG1 4.06Å
15A91.2Very high82.1Confident62 Ų6269.6 Ų69.651%0.51241%0.41SS..  trans-57.7134.5175.500000110.5L17 S18 I19A15-L17 PolarHBondContact O-N 3.13Å; A15-S18 WeakPolarHBondContact O-CA 3.39Å; A15-S18 WeakPolarHBondContact O-CB 3.28Å; A15-S18 PolarHBondContact O-N 3.18Å; A15-I19 PolarHBondContact O-N 3.16Å
16C91.6Very high85Confident45 Ų4568.7 Ų68.730%0.30440%0.396SS..Hα-helixtrans-54.9-30.3-176.3-56.50000113.1D14 V20 V44D14-C16 PolarHBondContact O-N 3.08Å; C16-V20 WeakPolarHBondContact O-CB 3.46Å; C16-V20 WeakPolarHBondContact O-CG2 3.48Å; C16-V20 PolarHBondContact O-N 3.15Å; C16-V44 HydrophobicContact CB-CG1 3.92Å
17L91.8Very high87.5Confident135 Ų13566.1 Ų66.171%0.70738%0.377SS*.Hα-helixtrans-65.6-39.7174.6-66.2175.6000112.6A15 V20 H21A15-L17 PolarHBondContact O-N 3.13Å; L17-V20 PolarHBondContact O-N 2.98Å; L17-H21 WeakPolarHBondContact O-CB 3.32Å; L17-H21 PolarHBondContact O-N 3.3Å
18S93.1Very high89.6Confident65 Ų6563.8 Ų63.846%0.45536%0.356SS..Hα-helixtrans-66.4-42.6175.9-51.20000111.4A15 H21 S22A15-S18 WeakPolarHBondContact O-CA 3.39Å; A15-S18 WeakPolarHBondContact O-CB 3.28Å; A15-S18 PolarHBondContact O-N 3.18Å; S18-H21 PolarHBondContact O-N 3.1Å; S18-S22 PolarHBondContact O-N 2.91Å
19I94.4Very high90.2Very high1 Ų158.4 Ų58.41%0.00533%0.333CS..Hα-helixtrans-63-46.8175.5-57.4174.2000110.4T11 D14 A15 H21 S22 L23 V44 L54 I58T11-I19 WeakPolarHBondContact O-CD1 3.33Å; D14-I19 HydrophobicContact CB-CD1 4.41Å; D14-I19 HydrophobicContact CB-CG1 4.06Å; A15-I19 PolarHBondContact O-N 3.16Å; I19-H21 VanDerWaalsContact C-N 3.33Å; I19-H21 PolarHBondContact O-N 2.91Å; I19-S22 PolarHBondContact O-N 3.29Å; I19-L23 HydrophobicContact CG2-CD1 3.91Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.17Å; I19-V44 HydrophobicContact CB-CG1 4.33Å; I19-V44 HydrophobicContact CG2-CG1 4.22Å; I19-V44 HydrophobicContact CG2-CG2 3.96Å; I19-L54 HydrophobicContact CD1-CD2 3.98Å; I19-L54 HydrophobicContact CG2-CD1 4.27Å; I19-I58 HydrophobicContact CD1-CD1 4.34Å; I19-I58 HydrophobicContact CG1-CD1 4.35Å; I19-I58 HydrophobicContact CG2-CD1 3.85Å; I19-I58 HydrophobicContact CG2-CG1 3.96Å
20V96.4Very high90.6Very high9 Ų957.4 Ų57.46%0.05534%0.34CS..Hα-helixtrans-58.7-43.9175168.10000111.1C16 L17 L23 M24 I40 E41 V44C16-V20 WeakPolarHBondContact O-CB 3.46Å; C16-V20 WeakPolarHBondContact O-CG2 3.48Å; C16-V20 PolarHBondContact O-N 3.15Å; L17-V20 PolarHBondContact O-N 2.98Å; V20-L23 PolarHBondContact O-N 2.98Å; V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 WeakPolarHBondContact O-CB 3.15Å; V20-M24 VanDerWaalsContact O-CG 3.24Å; V20-M24 WeakPolarHBondContact O-CG 3.49Å; V20-M24 PolarHBondContact O-N 3.33Å; V20-I40 HydrophobicContact CB-CG2 4.27Å; V20-I40 HydrophobicContact CG1-CG2 4.2Å; V20-I40 HydrophobicContact CG2-CG2 4.07Å; V20-E41 HydrophobicContact CG1-CG 3.97Å; V20-E41 HydrophobicContact CG2-CG 4.09Å; V20-V44 HydrophobicContact CG2-CB 4.11Å; V20-V44 HydrophobicContact CG2-CG1 4.42Å; V20-V44 HydrophobicContact CG2-CG2 3.98Å
21H93.9Very high90.9Very high132 Ų13257.8 Ų57.861%0.61134%0.341SS*.Hα-helixtrans-62.1-47.7179-175.8-86.6000111.8L17 S18 I19 M24 C25L17-H21 WeakPolarHBondContact O-CB 3.32Å; L17-H21 PolarHBondContact O-N 3.3Å; S18-H21 PolarHBondContact O-N 3.1Å; I19-H21 VanDerWaalsContact C-N 3.33Å; I19-H21 PolarHBondContact O-N 2.91Å; H21-M24 WeakPolarHBondContact O-CB 3.23Å; H21-M24 PolarHBondContact O-N 2.77Å; H21-C25 PolarHBondContact O-N 2.99Å; H21-C25 PolarHBondContact O-SG 2.87Å; H21-C25 VanDerWaalsContact O-SG 3.35Å
22S95.2Very high91Very high23 Ų2358 Ų5816%0.16134%0.344CS..Hα-helixtrans-60.2-50.3175.6171.60000111.9P10 S18 I19 M24 C25 H26P10-S22 WeakPolarHBondContact CG-OG 3.46Å; S18-S22 PolarHBondContact O-N 2.91Å; I19-S22 PolarHBondContact O-N 3.29Å; S22-M24 PolarHBondContact O-N 3.49Å; S22-C25 WeakPolarHBondContact O-CB 3.04Å; S22-C25 PolarHBondContact O-N 2.87Å; S22-H26 PolarHBondContact O-CD2 2.92Å; S22-H26 VanDerWaalsContact O-CD2 3.26Å
23L96Very high91.2Very high1 Ų163.1 Ų63.11%0.00537%0.367CS..Hα-helixtrans-62.7-27.2179.3-70.8177.9000113.4I19 V20 I40 V44 L57 I61 W99I19-L23 HydrophobicContact CG2-CD1 3.91Å; I19-L23 HydrophobicContact CG2-CG 4.35Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.17Å; V20-L23 PolarHBondContact O-N 2.98Å; L23-I40 HydrophobicContact CB-CD1 4.28Å; L23-I40 HydrophobicContact CB-CG2 3.79Å; L23-I40 HydrophobicContact CD1-CG2 3.91Å; L23-V44 HydrophobicContact CD1-CG2 3.83Å; L23-L57 HydrophobicContact CD1-CD2 4.15Å; L23-I61 HydrophobicContact CD2-CB 3.71Å; L23-I61 HydrophobicContact CD2-CG1 3.89Å; L23-I61 HydrophobicContact CD2-CG2 3.78Å; L23-W99 HydrophobicContact CB-CZ2 4.13Å; L23-W99 HydrophobicContact CD1-CZ2 4.4Å; L23-W99 HydrophobicContact CD2-CZ2 4.41Å; L23-W99 PolarHBondContact O-NE1 2.72Å
24M95.6Very high91.3Very high25 Ų2562.9 Ų62.912%0.12337%0.37CS..Hα-helixtrans-69.6-29.6172.8-82.6-70-65.500113.1V20 H21 S22 H26 R27 E33 A36 K37 I40V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 WeakPolarHBondContact O-CB 3.15Å; V20-M24 VanDerWaalsContact O-CG 3.24Å; V20-M24 WeakPolarHBondContact O-CG 3.49Å; V20-M24 PolarHBondContact O-N 3.33Å; H21-M24 WeakPolarHBondContact O-CB 3.23Å; H21-M24 PolarHBondContact O-N 2.77Å; S22-M24 PolarHBondContact O-N 3.49Å; M24-H26 PolarHBondContact O-N 3.49Å; M24-R27 WeakPolarHBondContact O-CD 3.5Å; M24-R27 VanDerWaalsContact O-CG 3.29Å; M24-R27 WeakPolarHBondContact O-CG 3.36Å; M24-E33 HydrophobicContact CE-CG 3.71Å; M24-A36 HydrophobicContact CE-CB 4.35Å; M24-A36 HydrophobicContact SD-CB 4.03Å; M24-K37 HydrophobicContact CE-CB 4.17Å; M24-K37 HydrophobicContact SD-CB 4.07Å; M24-I40 HydrophobicContact CG-CD1 3.82Å; M24-I40 HydrophobicContact SD-CD1 3.58Å; M24-I40 VanDerWaalsContact SD-CD1 3.58Å
25C95Very high91.5Very high90 Ų9060.1 Ų60.161%0.60836%0.355SS*.Hα-helixtrans-67.9-22.7177.7-63.90000113.2H21 S22H21-C25 PolarHBondContact O-N 2.99Å; H21-C25 PolarHBondContact O-SG 2.87Å; H21-C25 VanDerWaalsContact O-SG 3.35Å; S22-C25 WeakPolarHBondContact O-CB 3.04Å; S22-C25 PolarHBondContact O-N 2.87Å
26H94.5Very high91.7Very high68 Ų6857.3 Ų57.332%0.31533%0.331SS..THydrogen-bonded Turntrans-97.212.3-177.7-63.7-82000114S22 M24 I61S22-H26 PolarHBondContact O-CD2 2.92Å; S22-H26 VanDerWaalsContact O-CD2 3.26Å; M24-H26 PolarHBondContact O-N 3.49Å; H26-I61 HydrophobicContact CB-CG2 3.45Å; H26-I61 VanDerWaalsContact CB-CG2 3.45Å
27R94.1Very high91.9Very high89 Ų8959.9 Ų59.934%0.33634%0.337SS..  trans-75.1140.3179.774.1-172.2177.778.3-1.9111.8M24 G29 L98M24-R27 WeakPolarHBondContact O-CD 3.5Å; M24-R27 VanDerWaalsContact O-CG 3.29Å; M24-R27 WeakPolarHBondContact O-CG 3.36Å; R27-G29 VanDerWaalsContact C-N 3.33Å; R27-G29 PolarHBondContact O-N 3.2Å; R27-L98 WeakPolarHBondContact CA-O 3.17Å
28Q88.6Confident92.1Very high92 Ų9261 Ų6143%0.4333%0.332SS..  trans-86.93.7-175.6-57.6-64.7-13.900114.6L98 W99 P102Q28-L98 PolarHBondContact N-O 3.24Å; Q28-W99 WeakPolarHBondContact CG-O 3.14Å; Q28-W99 PolarHBondContact NE2-O 3.39Å; Q28-W99 VanDerWaalsContact NE2-O 3.1Å; Q28-P102 HydrophobicContact CB-CB 4.46Å; Q28-P102 HydrophobicContact CB-CG 4.17Å
29G74.6Confident92.3Very high24 Ų2457.9 Ų57.925%0.24731%0.31CS..SBendtrans86.2-153.7-172.100000112.9R27 E31R27-G29 VanDerWaalsContact C-N 3.33Å; R27-G29 PolarHBondContact O-N 3.2Å; G29-E31 PolarHBondContact O-N 2.95Å
30G78.9Confident92.4Very high70 Ų7057.9 Ų57.972%0.72231%0.31SS*.SBendtrans75.8-43.4-18000000115.8
31E86.6Confident92.4Very high28 Ų2860 Ų6013%0.13132%0.319CS..SBendtrans-102.3149.3177.1-63.5-69.6-17600111.9G29 F35 R87 R97G29-E31 PolarHBondContact O-N 2.95Å; E31-F35 HydrophobicContact CB-CD1 4.15Å; E31-F35 HydrophobicContact CG-CD1 4.47Å; E31-F35 HydrophobicContact CG-CE1 4.48Å; E31-R87 IonicContact OE2-CZ 3.49Å; E31-R87 IonicContact OE2-NH1 3.56Å; E31-R87 PolarHBondContact OE2-NH1 2.84Å; E31-R87 IonicContact OE2-NH2 3.63Å; E31-R87 PolarHBondContact OE2-NH2 2.8Å; E31-R97 HydrophobicContact CG-CG 4.49Å; E31-R97 WeakPolarHBondContact OE1-CD 3.46Å; E31-R97 IonicContact OE1-CZ 3.22Å; E31-R97 IonicContact OE1-NE 2.84Å; E31-R97 IonicContact OE1-NH1 2.65Å; E31-R97 PolarHBondContact OE1-NH1 2.78Å
32S91.5Very high92.6Very high61 Ų6155.7 Ų55.743%0.42730%0.304SS..  trans-63.1142.6-179.5660000112.2T34 F35 A36S32-T34 VanDerWaalsContact C-N 3.26Å; S32-T34 PolarHBondContact O-N 3.42Å; S32-F35 PolarHBondContact O-N 3.12Å; S32-F35 WeakPolarHBondContact OG-CB 3.26Å; S32-A36 PolarHBondContact O-N 2.91Å
33E92.1Very high92.7Very high120 Ų12054.7 Ų54.756%0.56130%0.297SS*.Hα-helixtrans-57.7-39.6-176.8-168.9-173.3137.600112.5M24 F35 A36 K37M24-E33 HydrophobicContact CE-CG 3.71Å; E33-F35 VanDerWaalsContact C-N 3.34Å; E33-F35 PolarHBondContact O-N 2.94Å; E33-A36 PolarHBondContact O-N 2.86Å; E33-K37 WeakPolarHBondContact O-CB 3.39Å; E33-K37 PolarHBondContact O-N 2.83Å
34T90.9Very high92.7Very high110 Ų11054.7 Ų54.768%0.67530%0.297SS*.Hα-helixtrans-62.1-39.5176.653.10000112.3S32 R38S32-T34 VanDerWaalsContact C-N 3.26Å; S32-T34 PolarHBondContact O-N 3.42Å; T34-R38 WeakPolarHBondContact O-CG 3.44Å; T34-R38 PolarHBondContact O-N 3.41Å
35F95Very high92.7Very high13 Ų1361.6 Ų61.66%0.05733%0.326CS..Hα-helixtrans-71.1-46.1173.7175-91.4000111.6E31 S32 E33 K37 R38 A39 V84 A85 R87 I94E31-F35 HydrophobicContact CB-CD1 4.15Å; E31-F35 HydrophobicContact CG-CD1 4.47Å; E31-F35 HydrophobicContact CG-CE1 4.48Å; S32-F35 PolarHBondContact O-N 3.12Å; S32-F35 WeakPolarHBondContact OG-CB 3.26Å; E33-F35 VanDerWaalsContact C-N 3.34Å; E33-F35 PolarHBondContact O-N 2.94Å; F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.25Å; F35-R38 PolarHBondContact O-N 3.16Å; F35-R38 VanDerWaalsContact O-N 3.15Å; F35-A39 HydrophobicContact CE1-CB 4.45Å; F35-A39 PolarHBondContact O-N 2.84Å; F35-V84 HydrophobicContact CD2-CB 4.35Å; F35-V84 HydrophobicContact CD2-CG1 4.06Å; F35-V84 HydrophobicContact CE2-CB 3.66Å; F35-V84 HydrophobicContact CE2-CG1 3.83Å; F35-V84 WeakPolarHBondContact CE2-O 3.39Å; F35-V84 HydrophobicContact CZ-CB 4.07Å; F35-V84 HydrophobicContact CZ-CG1 4.3Å; F35-A85 HydrophobicContact CD2-CB 4.19Å; F35-R87 VanDerWaalsContact CE1-NH2 3.31Å; F35-R87 HydrophobicContact CE2-CB 4.25Å; F35-R87 VanDerWaalsContact CE2-NH2 3.29Å; F35-I94 HydrophobicContact CE1-CG2 4.32Å; F35-I94 HydrophobicContact CZ-CG2 4.27Å
36A95.8Very high92.7Very high2 Ų262 Ų622%0.01732%0.318CS..Hα-helixtrans-57.2-47.8-178.500000111.3M24 S32 E33 R38 A39 I40 L98M24-A36 HydrophobicContact CE-CB 4.35Å; M24-A36 HydrophobicContact SD-CB 4.03Å; S32-A36 PolarHBondContact O-N 2.91Å; E33-A36 PolarHBondContact O-N 2.86Å; A36-R38 PolarHBondContact O-N 2.91Å; A36-A39 WeakPolarHBondContact O-CB 3.42Å; A36-A39 PolarHBondContact O-N 3.49Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3.25Å; A36-L98 HydrophobicContact CB-CD1 3.78Å
37K95.5Very high92.8Very high100 Ų10058.8 Ų58.844%0.43530%0.303SS..Hα-helixtrans-58.1-48175-176.4170.4-180172.60111.8M24 E33 F35 A39 I40 E41M24-K37 HydrophobicContact CE-CB 4.17Å; M24-K37 HydrophobicContact SD-CB 4.07Å; E33-K37 WeakPolarHBondContact O-CB 3.39Å; E33-K37 PolarHBondContact O-N 2.83Å; F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.25Å; K37-A39 VanDerWaalsContact C-N 3.33Å; K37-A39 PolarHBondContact O-N 2.84Å; K37-I40 PolarHBondContact O-N 3.4Å; K37-E41 WeakPolarHBondContact CE-OE1 3.47Å; K37-E41 HydrophobicContact CG-CG 4.32Å; K37-E41 WeakPolarHBondContact CG-OE1 3.39Å; K37-E41 VanDerWaalsContact O-CB 3.31Å; K37-E41 WeakPolarHBondContact O-CB 3.28Å; K37-E41 VanDerWaalsContact O-CG 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.3Å; K37-E41 PolarHBondContact O-N 3.32Å
38R96.3Very high92.7Very high158 Ų15859.9 Ų59.960%0.59631%0.31SS*.Hα-helixtrans-63.7-34.2177.6-69.2-66.7-165.5174.96113.2T34 F35 A36 E41 S42 V84T34-R38 WeakPolarHBondContact O-CG 3.44Å; T34-R38 PolarHBondContact O-N 3.41Å; F35-R38 PolarHBondContact O-N 3.16Å; F35-R38 VanDerWaalsContact O-N 3.15Å; A36-R38 PolarHBondContact O-N 2.91Å; R38-E41 IonicContact NH1-OE2 3.54Å; R38-S42 VanDerWaalsContact O-CB 3.31Å; R38-S42 WeakPolarHBondContact O-CB 3.25Å; R38-S42 PolarHBondContact O-N 3Å; R38-S42 VanDerWaalsContact O-N 3.07Å; R38-V84 HydrophobicContact CB-CG1 4.08Å
39A97Very high92.9Very high0 Ų063.4 Ų63.40%033%0.327CS..Hα-helixtrans-66.6-50175.500000110.9F35 A36 K37 S42 L43 V84 Y95F35-A39 HydrophobicContact CE1-CB 4.45Å; F35-A39 PolarHBondContact O-N 2.84Å; A36-A39 WeakPolarHBondContact O-CB 3.42Å; A36-A39 PolarHBondContact O-N 3.49Å; K37-A39 VanDerWaalsContact C-N 3.33Å; K37-A39 PolarHBondContact O-N 2.84Å; A39-S42 PolarHBondContact O-N 2.83Å; A39-L43 PolarHBondContact O-N 3.17Å; A39-V84 HydrophobicContact CB-CG1 4.01Å; A39-Y95 HydrophobicContact CB-CE1 4.21Å; A39-Y95 PolarHBondContact O-OH 3.23Å
40I97.6Very high94Very high0 Ų065.6 Ų65.60%033%0.329CS..Hα-helixtrans-65.7-44.8179.5-61.6172.2000110.8V20 L23 M24 A36 K37 S42 L43 V44 L98 W99V20-I40 HydrophobicContact CB-CG2 4.27Å; V20-I40 HydrophobicContact CG1-CG2 4.2Å; V20-I40 HydrophobicContact CG2-CG2 4.07Å; L23-I40 HydrophobicContact CB-CD1 4.28Å; L23-I40 HydrophobicContact CB-CG2 3.79Å; L23-I40 HydrophobicContact CD1-CG2 3.91Å; M24-I40 HydrophobicContact CG-CD1 3.82Å; M24-I40 HydrophobicContact SD-CD1 3.58Å; M24-I40 VanDerWaalsContact SD-CD1 3.58Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3.25Å; K37-I40 PolarHBondContact O-N 3.4Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 2.76Å; I40-L43 PolarHBondContact O-N 3.22Å; I40-L43 VanDerWaalsContact O-N 3.14Å; I40-V44 HydrophobicContact CG2-CG2 4.04Å; I40-V44 WeakPolarHBondContact O-CG2 3.32Å; I40-V44 PolarHBondContact O-N 2.89Å; I40-L98 HydrophobicContact CD1-CD2 3.52Å; I40-L98 HydrophobicContact CG1-CD2 3.61Å; I40-W99 HydrophobicContact CD1-CZ2 3.85Å; I40-W99 HydrophobicContact CG1-CH2 4.13Å; I40-W99 HydrophobicContact CG1-CZ2 3.68Å
41E96.9Very high94.7Very high54 Ų5467 Ų6725%0.25232%0.316SS..Hα-helixtrans-54.8-43.5173.3-76.5173.4178.700111.8V20 K37 R38 K45V20-E41 HydrophobicContact CG1-CG 3.97Å; V20-E41 HydrophobicContact CG2-CG 4.09Å; K37-E41 WeakPolarHBondContact CE-OE1 3.47Å; K37-E41 HydrophobicContact CG-CG 4.32Å; K37-E41 WeakPolarHBondContact CG-OE1 3.39Å; K37-E41 VanDerWaalsContact O-CB 3.31Å; K37-E41 WeakPolarHBondContact O-CB 3.28Å; K37-E41 VanDerWaalsContact O-CG 3.23Å; K37-E41 WeakPolarHBondContact O-CG 3.3Å; K37-E41 PolarHBondContact O-N 3.32Å; R38-E41 IonicContact NH1-OE2 3.54Å; E41-K45 WeakPolarHBondContact O-CB 3.44Å; E41-K45 PolarHBondContact O-N 2.84Å; E41-K45 VanDerWaalsContact O-N 3.07Å
42S96.3Very high95.1Very high42 Ų4270.5 Ų70.529%0.29434%0.335SS..Hα-helixtrans-66.3-41.1177.3-162.90000112.1R38 A39 I40 K46R38-S42 VanDerWaalsContact O-CB 3.31Å; R38-S42 WeakPolarHBondContact O-CB 3.25Å; R38-S42 PolarHBondContact O-N 3Å; R38-S42 VanDerWaalsContact O-N 3.07Å; A39-S42 PolarHBondContact O-N 2.83Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 2.76Å; S42-K46 WeakPolarHBondContact O-CD 3.15Å; S42-K46 VanDerWaalsContact O-CG 3.25Å; S42-K46 WeakPolarHBondContact O-CG 3.49Å; S42-K46 PolarHBondContact O-N 2.96Å
43L97.6Very high95.4Very high1 Ų169.4 Ų69.41%0.00532%0.323CS..Hα-helixtrans-68.2-51.8179.4-173.858.4000112A39 I40 K45 K46 L47 L57 I74 Y95 W99 V128A39-L43 PolarHBondContact O-N 3.17Å; I40-L43 PolarHBondContact O-N 3.22Å; I40-L43 VanDerWaalsContact O-N 3.14Å; L43-K45 PolarHBondContact O-N 2.94Å; L43-K46 WeakPolarHBondContact O-CA 3.26Å; L43-K46 WeakPolarHBondContact O-CB 3.25Å; L43-K46 PolarHBondContact O-N 3.27Å; L43-L47 HydrophobicContact CD1-CD1 3.83Å; L43-L47 HydrophobicContact CD1-CG 4.05Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 HydrophobicContact CG-CD1 3.78Å; L43-L47 HydrophobicContact CG-CG 4.35Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 2.89Å; L43-L57 HydrophobicContact CD2-CD1 4.46Å; L43-L57 HydrophobicContact CD2-CD2 3.59Å; L43-L57 HydrophobicContact CG-CD2 4.12Å; L43-I74 HydrophobicContact CD1-CG2 3.56Å; L43-Y95 HydrophobicContact CB-CE1 3.92Å; L43-Y95 HydrophobicContact CD1-CE2 4.35Å; L43-Y95 HydrophobicContact CD2-CD1 3.92Å; L43-Y95 HydrophobicContact CD2-CE1 3.74Å; L43-Y95 HydrophobicContact CD2-CE2 4.39Å; L43-Y95 HydrophobicContact CD2-CG 4.33Å; L43-Y95 HydrophobicContact CG-CE1 4.33Å; L43-W99 HydrophobicContact CD2-CH2 3.89Å; L43-W99 HydrophobicContact CD2-CZ3 4.08Å; L43-V128 HydrophobicContact CD1-CG2 3.86Å; L43-V128 HydrophobicContact CD2-CG2 4.28Å
44V97.3Very high95.6Very high1 Ų163.8 Ų63.81%0.00630%0.297CS..Hα-helixtrans-58.7-39.5178.21750000110.4C16 I19 V20 L23 I40 K46 L47 K48 L54C16-V44 HydrophobicContact CB-CG1 3.92Å; I19-V44 HydrophobicContact CB-CG1 4.33Å; I19-V44 HydrophobicContact CG2-CG1 4.22Å; I19-V44 HydrophobicContact CG2-CG2 3.96Å; V20-V44 HydrophobicContact CG2-CB 4.11Å; V20-V44 HydrophobicContact CG2-CG1 4.42Å; V20-V44 HydrophobicContact CG2-CG2 3.98Å; L23-V44 HydrophobicContact CD1-CG2 3.83Å; I40-V44 HydrophobicContact CG2-CG2 4.04Å; I40-V44 WeakPolarHBondContact O-CG2 3.32Å; I40-V44 PolarHBondContact O-N 2.89Å; V44-K46 PolarHBondContact O-N 3.08Å; V44-L47 PolarHBondContact O-N 3.07Å; V44-K48 PolarHBondContact O-N 3.12Å; V44-L54 HydrophobicContact CG1-CD1 4.47Å; V44-L54 HydrophobicContact CG2-CD1 4.4Å
45K95.8Very high95.9Very high170 Ų17060.8 Ų60.874%0.73928%0.277SS*.Hα-helixtrans-63.9-37.4173.9-174.3175-179.7178.20113.1E41 L43E41-K45 WeakPolarHBondContact O-CB 3.44Å; E41-K45 PolarHBondContact O-N 2.84Å; E41-K45 VanDerWaalsContact O-N 3.07Å; L43-K45 PolarHBondContact O-N 2.94Å
46K94.9Very high96Very high99 Ų9960.9 Ų60.943%0.4328%0.279SS..Hα-helixtrans-71.5-30.1176.2-75.9164.1177.3-76.10113S42 L43 V44 I74S42-K46 WeakPolarHBondContact O-CD 3.15Å; S42-K46 VanDerWaalsContact O-CG 3.25Å; S42-K46 WeakPolarHBondContact O-CG 3.49Å; S42-K46 PolarHBondContact O-N 2.96Å; L43-K46 WeakPolarHBondContact O-CA 3.26Å; L43-K46 WeakPolarHBondContact O-CB 3.25Å; L43-K46 PolarHBondContact O-N 3.27Å; V44-K46 PolarHBondContact O-N 3.08Å; K46-I74 HydrophobicContact CD-CG2 4.27Å
47L96.7Very high96Very high0 Ų060.8 Ų60.80%028%0.279CS..Hα-helixtrans-93.9-4.2-177.9-62.9175.6000113.9L43 V44 E49 K50 E53 L54 L57 V72L43-L47 HydrophobicContact CD1-CD1 3.83Å; L43-L47 HydrophobicContact CD1-CG 4.05Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 HydrophobicContact CG-CD1 3.78Å; L43-L47 HydrophobicContact CG-CG 4.35Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 2.89Å; V44-L47 PolarHBondContact O-N 3.07Å; L47-E49 VanDerWaalsContact C-N 3.26Å; L47-E49 PolarHBondContact O-N 3.01Å; L47-K50 HydrophobicContact CD2-CD 4.36Å; L47-K50 CarbonylContact O-C 3.52Å; L47-K50 WeakPolarHBondContact O-CA 3.41Å; L47-K50 PolarHBondContact O-N 3.4Å; L47-E53 HydrophobicContact CD2-CB 4.22Å; L47-E53 WeakPolarHBondContact CD2-OE2 3.36Å; L47-L54 HydrophobicContact CB-CB 4.16Å; L47-L54 HydrophobicContact CB-CD1 4.17Å; L47-L54 HydrophobicContact CD1-CD1 4.29Å; L47-L57 HydrophobicContact CD1-CD2 3.68Å; L47-V72 HydrophobicContact CD1-CG1 3.42Å; L47-V72 VanDerWaalsContact CD1-CG1 3.42Å; L47-V72 HydrophobicContact CD2-CG1 4Å; L47-V72 HydrophobicContact CG-CG1 4.36Å
48K92Very high96Very high113 Ų11356.1 Ų56.149%0.49126%0.258SS..THydrogen-bonded Turntrans-55.7-38.7-175.8-168.4-172.6176.6-164.70113.5V44 K50V44-K48 PolarHBondContact O-N 3.12Å; K48-K50 PolarHBondContact O-N 2.63Å
49E92.8Very high96Very high166 Ų16651.2 Ų51.278%0.77625%0.246SC*.THydrogen-bonded Turntrans-83.41.3177.6-50.3-51133.500113L47L47-E49 VanDerWaalsContact C-N 3.26Å; L47-E49 PolarHBondContact O-N 3.01Å
50K95.9Very high96Very high69 Ų6951.2 Ų51.230%0.325%0.246SC..  trans-123.863.2-179.1-59.7-168.9-177.8-176.10111L47 K48 D52 E53 L54 T73L47-K50 HydrophobicContact CD2-CD 4.36Å; L47-K50 CarbonylContact O-C 3.52Å; L47-K50 WeakPolarHBondContact O-CA 3.41Å; L47-K50 PolarHBondContact O-N 3.4Å; K48-K50 PolarHBondContact O-N 2.63Å; K50-D52 VanDerWaalsContact C-N 3.33Å; K50-D52 PolarHBondContact O-N 2.7Å; K50-E53 HydrophobicContact CB-CB 4.11Å; K50-E53 HydrophobicContact CB-CG 4.27Å; K50-E53 HydrophobicContact CD-CG 4.2Å; K50-E53 WeakPolarHBondContact CD-OE2 3.25Å; K50-E53 IonicContact NZ-OE1 3.02Å; K50-E53 PolarHBondContact NZ-OE1 3.23Å; K50-E53 VanDerWaalsContact NZ-OE1 3.13Å; K50-E53 IonicContact NZ-OE2 2.92Å; K50-E53 PolarHBondContact NZ-OE2 3.33Å; K50-E53 VanDerWaalsContact NZ-OE2 3.15Å; K50-E53 PolarHBondContact O-N 2.89Å; K50-L54 PolarHBondContact O-N 3.08Å; K50-T73 PolarHBondContact NZ-O 3.3Å; K50-T73 PolarHBondContact NZ-OG1 2.81Å
51K94.4Very high95.9Very high100 Ų10051.3 Ų51.344%0.43525%0.247SC..Hα-helixtrans-48.7-48.8-173.5-72.7-166.3174.5-174.10114S12 N13 E53 L54 D55S12-K51 WeakPolarHBondContact OG-CB 3.39Å; N13-K51 PolarHBondContact OD1-NZ 3.22Å; K51-E53 VanDerWaalsContact C-N 3.31Å; K51-E53 PolarHBondContact O-N 2.8Å; K51-L54 CarbonylContact O-C 3.58Å; K51-L54 WeakPolarHBondContact O-CA 3.45Å; K51-L54 WeakPolarHBondContact O-CB 3.36Å; K51-L54 PolarHBondContact O-N 3.35Å; K51-D55 PolarHBondContact O-N 2.85Å
52D96Very high95.8Very high102 Ų10250.5 Ų50.555%0.54525%0.245SC..Hα-helixtrans-53.5-40.9175.4-8032.7000114.6K50 S56 K70K50-D52 VanDerWaalsContact C-N 3.33Å; K50-D52 PolarHBondContact O-N 2.7Å; D52-S56 VanDerWaalsContact O-CB 3.29Å; D52-S56 WeakPolarHBondContact O-CB 3.25Å; D52-S56 PolarHBondContact O-N 3.34Å; D52-S56 PolarHBondContact O-OG 3.33Å; D52-K70 IonicContact OD2-NZ 3.22Å; D52-K70 PolarHBondContact OD2-NZ 3.03Å
53E97.2Very high95.7Very high37 Ų3750.5 Ų50.517%0.17324%0.244CC..Hα-helixtrans-75-34.2177.3-65.4-169.6-172.800111L47 K50 K51 S56 L57 V72 T73L47-E53 HydrophobicContact CD2-CB 4.22Å; L47-E53 WeakPolarHBondContact CD2-OE2 3.36Å; K50-E53 HydrophobicContact CB-CB 4.11Å; K50-E53 HydrophobicContact CB-CG 4.27Å; K50-E53 HydrophobicContact CD-CG 4.2Å; K50-E53 WeakPolarHBondContact CD-OE2 3.25Å; K50-E53 IonicContact NZ-OE1 3.02Å; K50-E53 PolarHBondContact NZ-OE1 3.23Å; K50-E53 VanDerWaalsContact NZ-OE1 3.13Å; K50-E53 IonicContact NZ-OE2 2.92Å; K50-E53 PolarHBondContact NZ-OE2 3.33Å; K50-E53 VanDerWaalsContact NZ-OE2 3.15Å; K50-E53 PolarHBondContact O-N 2.89Å; K51-E53 VanDerWaalsContact C-N 3.31Å; K51-E53 PolarHBondContact O-N 2.8Å; E53-S56 PolarHBondContact O-N 3.12Å; E53-L57 WeakPolarHBondContact O-CB 3.09Å; E53-L57 PolarHBondContact O-N 2.8Å; E53-V72 WeakPolarHBondContact O-CG2 3.43Å; E53-T73 PolarHBondContact OE1-OG1 2.98Å; E53-T73 WeakPolarHBondContact OE2-CA 3.38Å; E53-T73 PolarHBondContact OE2-N 3.44Å; E53-T73 PolarHBondContact OE2-OG1 3.49Å
54L96.9Very high95.4Very high3 Ų355.4 Ų55.42%0.01627%0.27CS..Hα-helixtrans-68.8-43.8176.3-174.654.6000111.7I19 V44 L47 K50 K51 S56 L57 I58I19-L54 HydrophobicContact CD1-CD2 3.98Å; I19-L54 HydrophobicContact CG2-CD1 4.27Å; V44-L54 HydrophobicContact CG1-CD1 4.47Å; V44-L54 HydrophobicContact CG2-CD1 4.4Å; L47-L54 HydrophobicContact CB-CB 4.16Å; L47-L54 HydrophobicContact CB-CD1 4.17Å; L47-L54 HydrophobicContact CD1-CD1 4.29Å; K50-L54 PolarHBondContact O-N 3.08Å; K51-L54 CarbonylContact O-C 3.58Å; K51-L54 WeakPolarHBondContact O-CA 3.45Å; K51-L54 WeakPolarHBondContact O-CB 3.36Å; K51-L54 PolarHBondContact O-N 3.35Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-L57 WeakPolarHBondContact O-CB 3.31Å; L54-L57 PolarHBondContact O-N 3.17Å; L54-I58 HydrophobicContact CG-CD1 4.29Å; L54-I58 VanDerWaalsContact O-CG1 3.3Å; L54-I58 WeakPolarHBondContact O-CG1 3.49Å; L54-I58 PolarHBondContact O-N 3.2Å
55D95.8Very high95.1Very high47 Ų4756.7 Ų56.725%0.25128%0.283SS..Hα-helixtrans-63.9-38.2172.6-74.9-47.1000111.7T11 S12 K51 L57 I58 T59T11-D55 WeakPolarHBondContact CA-OD1 3.47Å; S12-D55 VanDerWaalsContact CB-CG 3.49Å; S12-D55 WeakPolarHBondContact CB-OD1 3.37Å; S12-D55 WeakPolarHBondContact CB-OD2 3.46Å; S12-D55 PolarHBondContact N-OD1 2.73Å; S12-D55 VanDerWaalsContact OG-CG 3.29Å; S12-D55 PolarHBondContact OG-OD1 3Å; S12-D55 PolarHBondContact OG-OD2 2.93Å; K51-D55 PolarHBondContact O-N 2.85Å; D55-L57 VanDerWaalsContact C-N 3.35Å; D55-I58 PolarHBondContact O-N 2.79Å; D55-T59 VanDerWaalsContact O-CB 3.31Å; D55-T59 WeakPolarHBondContact O-CB 3.47Å; D55-T59 PolarHBondContact O-N 2.91Å; D55-T59 PolarHBondContact O-OG1 2.88Å
56S96.8Very high94.8Very high15 Ų1552.1 Ų52.111%0.10528%0.277CS..Hα-helixtrans-63.8-39.4173.2-62.40000111.9D52 E53 L54 A60 K70D52-S56 VanDerWaalsContact O-CB 3.29Å; D52-S56 WeakPolarHBondContact O-CB 3.25Å; D52-S56 PolarHBondContact O-N 3.34Å; D52-S56 PolarHBondContact O-OG 3.33Å; E53-S56 PolarHBondContact O-N 3.12Å; L54-S56 VanDerWaalsContact C-N 3.33Å; S56-A60 WeakPolarHBondContact O-CB 3.3Å; S56-A60 PolarHBondContact O-N 3.39Å; S56-K70 WeakPolarHBondContact OG-CB 3.22Å
57L97.3Very high94.4Very high0 Ų052.9 Ų52.90%028%0.282CS..Hα-helixtrans-64.6-50.9174.2179.265000111L23 L43 L47 E53 L54 D55 T59 A60 I61 V72 W99L23-L57 HydrophobicContact CD1-CD2 4.15Å; L43-L57 HydrophobicContact CD2-CD1 4.46Å; L43-L57 HydrophobicContact CD2-CD2 3.59Å; L43-L57 HydrophobicContact CG-CD2 4.12Å; L47-L57 HydrophobicContact CD1-CD2 3.68Å; E53-L57 WeakPolarHBondContact O-CB 3.09Å; E53-L57 PolarHBondContact O-N 2.8Å; L54-L57 WeakPolarHBondContact O-CB 3.31Å; L54-L57 PolarHBondContact O-N 3.17Å; D55-L57 VanDerWaalsContact C-N 3.35Å; L57-T59 VanDerWaalsContact C-N 3.35Å; L57-T59 PolarHBondContact O-N 3.16Å; L57-A60 PolarHBondContact O-N 3.29Å; L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CD1-CG1 3.91Å; L57-I61 HydrophobicContact CG-CG1 4.4Å; L57-I61 WeakPolarHBondContact O-CG1 3.42Å; L57-I61 PolarHBondContact O-N 3.4Å; L57-V72 HydrophobicContact CB-CG1 4Å; L57-V72 HydrophobicContact CB-CG2 3.82Å; L57-V72 HydrophobicContact CD1-CG1 4.31Å; L57-V72 HydrophobicContact CD1-CG2 4.41Å; L57-V72 HydrophobicContact CD2-CG1 4.39Å; L57-V72 HydrophobicContact CG-CG1 4.46Å; L57-W99 HydrophobicContact CD1-CH2 4.43Å; L57-W99 HydrophobicContact CD1-CZ3 4.26Å
58I95.7Very high93.9Very high1 Ų159 Ų591%0.00532%0.321CS..Hα-helixtrans-57.2-52.6-179.4-64.2162000109.2T9 P10 I19 L54 D55 A60 I61 T62T9-I58 HydrophobicContact CG2-CG2 4.2Å; P10-I58 HydrophobicContact CG-CG2 4.04Å; P10-I58 VanDerWaalsContact O-CG2 3.32Å; P10-I58 WeakPolarHBondContact O-CG2 3.45Å; I19-I58 HydrophobicContact CD1-CD1 4.34Å; I19-I58 HydrophobicContact CG1-CD1 4.35Å; I19-I58 HydrophobicContact CG2-CD1 3.85Å; I19-I58 HydrophobicContact CG2-CG1 3.96Å; L54-I58 HydrophobicContact CG-CD1 4.29Å; L54-I58 VanDerWaalsContact O-CG1 3.3Å; L54-I58 WeakPolarHBondContact O-CG1 3.49Å; L54-I58 PolarHBondContact O-N 3.2Å; D55-I58 PolarHBondContact O-N 2.79Å; I58-A60 VanDerWaalsContact C-N 3.35Å; I58-A60 PolarHBondContact O-N 2.87Å; I58-I61 PolarHBondContact O-N 3.31Å; I58-T62 HydrophobicContact CG2-CG2 3.85Å; I58-T62 WeakPolarHBondContact O-CB 3.46Å; I58-T62 WeakPolarHBondContact O-CG2 3.49Å; I58-T62 PolarHBondContact O-N 2.83Å; I58-T62 PolarHBondContact O-OG1 2.67Å
59T95.1Very high94Very high56 Ų5654.5 Ų54.534%0.34430%0.304SS..Hα-helixtrans-55.1-48177.9-540000111.8D55 L57 I61 T63D55-T59 VanDerWaalsContact O-CB 3.31Å; D55-T59 WeakPolarHBondContact O-CB 3.47Å; D55-T59 PolarHBondContact O-N 2.91Å; D55-T59 PolarHBondContact O-OG1 2.88Å; L57-T59 VanDerWaalsContact C-N 3.35Å; L57-T59 PolarHBondContact O-N 3.16Å; T59-I61 VanDerWaalsContact C-N 3.35Å; T59-I61 PolarHBondContact O-N 3.06Å; T59-T63 HydrophobicContact CG2-CG2 4.23Å; T59-T63 WeakPolarHBondContact O-CB 3.2Å; T59-T63 WeakPolarHBondContact O-CG2 3.41Å; T59-T63 PolarHBondContact O-N 2.85Å; T59-T63 PolarHBondContact O-OG1 3.36Å
60A96.4Very high94.2Very high0 Ų052.4 Ų52.40%029%0.293CS..Hα-helixtrans-61.7-41.4-178.800000112.5S56 L57 I58 N64 G65 S69 Y131S56-A60 WeakPolarHBondContact O-CB 3.3Å; S56-A60 PolarHBondContact O-N 3.39Å; L57-A60 PolarHBondContact O-N 3.29Å; I58-A60 VanDerWaalsContact C-N 3.35Å; I58-A60 PolarHBondContact O-N 2.87Å; A60-N64 PolarHBondContact O-N 2.99Å; A60-G65 PolarHBondContact O-N 3.36Å; A60-S69 WeakPolarHBondContact CB-OG 3.45Å; A60-Y131 HydrophobicContact CB-CD2 4.01Å; A60-Y131 WeakPolarHBondContact O-CE2 3.23Å
61I96.8Very high94.2Very high2 Ų250 Ų501%0.0128%0.284CS..Hα-helixtrans-75.1-48.4179.9-60.9-44.8000111.8L23 H26 L57 I58 T59 T63 N64 W99 P130 Y131L23-I61 HydrophobicContact CD2-CB 3.71Å; L23-I61 HydrophobicContact CD2-CG1 3.89Å; L23-I61 HydrophobicContact CD2-CG2 3.78Å; H26-I61 HydrophobicContact CB-CG2 3.45Å; H26-I61 VanDerWaalsContact CB-CG2 3.45Å; L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CD1-CG1 3.91Å; L57-I61 HydrophobicContact CG-CG1 4.4Å; L57-I61 WeakPolarHBondContact O-CG1 3.42Å; L57-I61 PolarHBondContact O-N 3.4Å; I58-I61 PolarHBondContact O-N 3.31Å; T59-I61 VanDerWaalsContact C-N 3.35Å; T59-I61 PolarHBondContact O-N 3.06Å; I61-T63 VanDerWaalsContact C-N 3.34Å; I61-T63 PolarHBondContact O-N 3.07Å; I61-N64 PolarHBondContact O-N 2.82Å; I61-W99 HydrophobicContact CD1-CB 3.82Å; I61-W99 HydrophobicContact CD1-CD2 3.54Å; I61-W99 HydrophobicContact CD1-CE3 3.78Å; I61-W99 HydrophobicContact CD1-CG 3.57Å; I61-W99 HydrophobicContact CG1-CD2 3.95Å; I61-W99 HydrophobicContact CG1-CE3 4.33Å; I61-W99 HydrophobicContact CG1-CG 4.2Å; I61-W99 HydrophobicContact CG1-CZ2 4.44Å; I61-W99 HydrophobicContact CG2-CG 4.17Å; I61-P130 HydrophobicContact CD1-CG 3.54Å; I61-Y131 HydrophobicContact CD1-CE2 4.06Å
62T94.4Very high94.4Very high36 Ų3645.2 Ų45.222%0.22126%0.263CS..Hα-helixtrans-70.7-29-174.5600000113T9 I58T9-T62 HydrophobicContact CG2-CG2 4.22Å; I58-T62 HydrophobicContact CG2-CG2 3.85Å; I58-T62 WeakPolarHBondContact O-CB 3.46Å; I58-T62 WeakPolarHBondContact O-CG2 3.49Å; I58-T62 PolarHBondContact O-N 2.83Å; I58-T62 PolarHBondContact O-OG1 2.67Å
63T93.4Very high94.5Very high43 Ų4340.6 Ų40.626%0.26424%0.239SC..THydrogen-bonded Turntrans-91.84.7174.768.80000113.7T59 I61 G65 A66T59-T63 HydrophobicContact CG2-CG2 4.23Å; T59-T63 WeakPolarHBondContact O-CB 3.2Å; T59-T63 WeakPolarHBondContact O-CG2 3.41Å; T59-T63 PolarHBondContact O-N 2.85Å; T59-T63 PolarHBondContact O-OG1 3.36Å; I61-T63 VanDerWaalsContact C-N 3.34Å; I61-T63 PolarHBondContact O-N 3.07Å; T63-G65 PolarHBondContact O-N 3.2Å; T63-G65 VanDerWaalsContact O-N 3.14Å; T63-A66 VanDerWaalsContact O-CB 3.23Å; T63-A66 WeakPolarHBondContact O-CB 3.28Å; T63-A66 PolarHBondContact O-N 3.17Å
64N92.1Very high94.5Very high104 Ų10439.2 Ų39.256%0.55623%0.233SC*.THydrogen-bonded Turntrans51.634.5-176.6-156.860.2000113.5A60 I61 Y131A60-N64 PolarHBondContact O-N 2.99Å; I61-N64 PolarHBondContact O-N 2.82Å; N64-Y131 VanDerWaalsContact C-CE1 3.44Å; N64-Y131 WeakPolarHBondContact CA-OH 3.31Å; N64-Y131 VanDerWaalsContact O-CE1 3.25Å; N64-Y131 WeakPolarHBondContact O-CE1 3.46Å; N64-Y131 PolarHBondContact OD1-OH 3.4Å
65G91.5Very high94.5Very high28 Ų2845.2 Ų45.229%0.28926%0.261SS..THydrogen-bonded Turntrans78.19.5-177.900000116.3A60 T63 H67A60-G65 PolarHBondContact O-N 3.36Å; T63-G65 PolarHBondContact O-N 3.2Å; T63-G65 VanDerWaalsContact O-N 3.14Å; G65-H67 PolarHBondContact O-N 2.98Å; G65-H67 VanDerWaalsContact O-N 3.09Å
66A89.3Confident94.4Very high74 Ų7445.5 Ų45.561%0.61226%0.258SS*.  trans-62-17-178.400000114.4T63T63-A66 VanDerWaalsContact O-CB 3.23Å; T63-A66 WeakPolarHBondContact O-CB 3.28Å; T63-A66 PolarHBondContact O-N 3.17Å
67H85.1Confident94.2Very high114 Ų11447.7 Ų47.753%0.52827%0.271SS..SBendtrans-125140.9176.3-60.7-34.4000112G65 S69G65-H67 PolarHBondContact O-N 2.98Å; G65-H67 VanDerWaalsContact O-N 3.09Å; H67-S69 PolarHBondContact O-N 3.05Å
68P87.9Confident93.8Very high128 Ų12856.9 Ų56.983%0.83132%0.319SS*.  trans-55.5129.8172.3-24.934.4000111.6
69S93.6Very high93.5Very high19 Ų1959.9 Ų59.913%0.13334%0.335CS..  trans-124.8154-176.947.70000111.1A60 H67 N129 H132A60-S69 WeakPolarHBondContact CB-OG 3.45Å; H67-S69 PolarHBondContact O-N 3.05Å; S69-N129 PolarHBondContact OG-ND2 2.75Å; S69-H132 PolarHBondContact O-CE1 2.82Å; S69-H132 PolarHBondContact O-NE2 3.3Å
70K95.8Very high93.3Very high123 Ų12357.6 Ų57.654%0.53532%0.323SS..  trans-69.9167.2177.6-58.3179.4-177.9175.20111.3D52 S56 N129 H132D52-K70 IonicContact OD2-NZ 3.22Å; D52-K70 PolarHBondContact OD2-NZ 3.03Å; S56-K70 WeakPolarHBondContact OG-CB 3.22Å; K70-N129 PolarHBondContact O-ND2 3.49Å; K70-N129 VanDerWaalsContact O-ND2 3.1Å; K70-H132 PolarHBondContact O-CE1 2.84Å; K70-H132 PolarHBondContact O-NE2 3.08Å
71C97.5Very high93.1Very high17 Ų1762.8 Ų62.812%0.11534%0.343CS..  trans-63137.1170.3-69.30000109.5T73 Y117 C127 H132C71-T73 HydrophobicContact CB-CG2 3.85Å; C71-Y117 HydrophobicContact CB-CD2 3.85Å; C71-C127 HydrophobicContact CB-CB 4.47Å; C71-H132 VanDerWaalsContact CA-CE1 3.49Å; C71-H132 WeakPolarHBondContact CA-CE1 3.35Å; C71-H132 PolarHBondContact N-CE1 2.9Å; C71-H132 VanDerWaalsContact N-CE1 3.34Å; C71-H132 VanDerWaalsContact SG-CE1 3.59Å; C71-H132 PolarHBondContact SG-ND1 2.87Å
72V98.1Very high92.9Very high0 Ų063.4 Ų63.40%035%0.346CS..  trans-110.3112.5174.9179.60000106.6L47 E53 L57 C127 V128 N129L47-V72 HydrophobicContact CD1-CG1 3.42Å; L47-V72 VanDerWaalsContact CD1-CG1 3.42Å; L47-V72 HydrophobicContact CD2-CG1 4Å; L47-V72 HydrophobicContact CG-CG1 4.36Å; E53-V72 WeakPolarHBondContact O-CG2 3.43Å; L57-V72 HydrophobicContact CB-CG1 4Å; L57-V72 HydrophobicContact CB-CG2 3.82Å; L57-V72 HydrophobicContact CD1-CG1 4.31Å; L57-V72 HydrophobicContact CD1-CG2 4.41Å; L57-V72 HydrophobicContact CD2-CG1 4.39Å; L57-V72 HydrophobicContact CG-CG1 4.46Å; V72-C127 CarbonylContact O-C 3.5Å; V72-C127 VanDerWaalsContact O-CA 3.26Å; V72-C127 WeakPolarHBondContact O-CA 3.32Å; V72-V128 HydrophobicContact CB-CG2 4.41Å; V72-V128 HydrophobicContact CG1-CG2 4.03Å; V72-V128 WeakPolarHBondContact O-CG2 3.36Å; V72-V128 PolarHBondContact O-N 3.15Å; V72-N129 HydrophobicContact CB-CB 4.05Å; V72-N129 HydrophobicContact CG2-CB 3.89Å
73T97.8Very high92.9Very high6 Ų667 Ų674%0.03736%0.36CS..EExtended strand (participates in β ladder)trans-121.5135.2-16073.80000114.1K50 E53 C71 Y117 V126K50-T73 PolarHBondContact NZ-O 3.3Å; K50-T73 PolarHBondContact NZ-OG1 2.81Å; E53-T73 PolarHBondContact OE1-OG1 2.98Å; E53-T73 WeakPolarHBondContact OE2-CA 3.38Å; E53-T73 PolarHBondContact OE2-N 3.44Å; E53-T73 PolarHBondContact OE2-OG1 3.49Å; C71-T73 HydrophobicContact CB-CG2 3.85Å; T73-Y117 HydrophobicContact CG2-CD2 3.76Å; T73-Y117 HydrophobicContact CG2-CE2 4.49Å; T73-Y117 HydrophobicContact CG2-CG 3.8Å; T73-V126 WeakPolarHBondContact CA-O 3.38Å
74I97.1Very high92.9Very high8 Ų865.3 Ų65.34%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-120152.4171.568.5171.7000110.9L43 K46 R76 L82 P91 Y95 S125 V126 V128L43-I74 HydrophobicContact CD1-CG2 3.56Å; K46-I74 HydrophobicContact CD-CG2 4.27Å; I74-R76 PolarHBondContact O-N 2.83Å; I74-L82 HydrophobicContact CD1-CD2 4.16Å; I74-P91 HydrophobicContact CD1-CB 3.72Å; I74-Y95 HydrophobicContact CD1-CE2 4.48Å; I74-S125 CarbonylContact O-C 3.53Å; I74-S125 WeakPolarHBondContact O-CA 3.45Å; I74-V126 PolarHBondContact N-O 3.18Å; I74-V126 PolarHBondContact O-N 3.49Å; I74-V128 HydrophobicContact CD1-CG1 3.97Å; I74-V128 HydrophobicContact CG1-CG1 3.96Å; I74-V128 HydrophobicContact CG2-CG2 4.28Å
75Q96.4Very high92.7Very high128 Ų12863.8 Ų63.860%0.59835%0.351SS*.EExtended strand (participates in β ladder)trans-56.8131.5175.5-168.364.836.700111.6D124Q75-D124 PolarHBondContact NE2-O 2.99Å; Q75-D124 VanDerWaalsContact NE2-O 3.1Å
76R94.6Very high92.4Very high53 Ų5365.2 Ų65.220%0.237%0.366CS..PPolyproline II helixtrans-68.2132.9171-177174.3-68-95.33.2110I74 F119 C123 D124 V126I74-R76 PolarHBondContact O-N 2.83Å; R76-F119 PolarHBondContact NH2-O 3.4Å; R76-C123 WeakPolarHBondContact CD-O 3.35Å; R76-C123 PolarHBondContact NE-O 3.17Å; R76-D124 WeakPolarHBondContact CB-O 3.44Å; R76-D124 PolarHBondContact N-O 3.15Å; R76-V126 HydrophobicContact CB-CG2 3.99Å; R76-V126 HydrophobicContact CG-CG2 4.29Å
77T92.4Very high92.4Very high61 Ų6167 Ų6737%0.37436%0.357SS..PPolyproline II helixtrans-83.6155.816850.10000110.7D79 G80 R81T77-D79 PolarHBondContact O-N 3.44Å; T77-D79 VanDerWaalsContact O-N 3.17Å; T77-D79 PolarHBondContact OG1-OD1 2.81Å; T77-G80 WeakPolarHBondContact O-CA 3.17Å; T77-G80 PolarHBondContact O-N 3.35Å; T77-G80 PolarHBondContact OG1-N 2.93Å; T77-R81 PolarHBondContact OG1-N 2.94Å; T77-R81 PolarHBondContact OG1-O 2.92Å
78L88.9Confident92.8Very high194 Ų19467.2 Ų67.2100%1.01636%0.357SS*.THydrogen-bonded Turntrans-55.4-34.5-179-64174.9000113.6
79D88.8Confident93.1Very high63 Ų6362.1 Ų62.134%0.33733%0.327SS..THydrogen-bonded Turntrans-94.47176.777.1-19.4000113.7T77 R81 K88T77-D79 PolarHBondContact O-N 3.44Å; T77-D79 VanDerWaalsContact O-N 3.17Å; T77-D79 PolarHBondContact OG1-OD1 2.81Å; D79-R81 PolarHBondContact O-N 2.85Å; D79-R81 VanDerWaalsContact O-N 3.1Å; D79-R81 PolarHBondContact OD1-N 3.33Å; D79-R81 VanDerWaalsContact OD1-N 3.1Å; D79-R81 IonicContact OD2-CZ 3.72Å; D79-R81 VanDerWaalsContact OD2-CZ 3.23Å; D79-R81 IonicContact OD2-NE 3.78Å; D79-R81 PolarHBondContact OD2-NE 3.1Å; D79-R81 IonicContact OD2-NH2 2.81Å; D79-R81 PolarHBondContact OD2-NH2 2.83Å; D79-K88 IonicContact OD2-NZ 2.83Å
80G90.7Very high93.2Very high9 Ų964.1 Ų64.19%0.09333%0.334CS..SBendtrans66.32.7-177.900000115.5T77 P91 F119T77-G80 WeakPolarHBondContact O-CA 3.17Å; T77-G80 PolarHBondContact O-N 3.35Å; T77-G80 PolarHBondContact OG1-N 2.93Å; G80-P91 VanDerWaalsContact O-CD 3.28Å; G80-P91 WeakPolarHBondContact O-CD 3.08Å; G80-F119 WeakPolarHBondContact O-CE2 3.47Å
81R92.3Very high93.2Very high109 Ų10958.6 Ų58.641%0.41131%0.31SS..  trans-106.6136.5-175.6-64.6177.3-63.1-157.8-5.2111.9T77 D79 G89 F90T77-R81 PolarHBondContact OG1-N 2.94Å; T77-R81 PolarHBondContact OG1-O 2.92Å; D79-R81 PolarHBondContact O-N 2.85Å; D79-R81 VanDerWaalsContact O-N 3.1Å; D79-R81 PolarHBondContact OD1-N 3.33Å; D79-R81 VanDerWaalsContact OD1-N 3.1Å; D79-R81 IonicContact OD2-CZ 3.72Å; D79-R81 VanDerWaalsContact OD2-CZ 3.23Å; D79-R81 IonicContact OD2-NE 3.78Å; D79-R81 PolarHBondContact OD2-NE 3.1Å; D79-R81 IonicContact OD2-NH2 2.81Å; D79-R81 PolarHBondContact OD2-NH2 2.83Å; R81-G89 CarbonylContact C-O 3.58Å; R81-G89 WeakPolarHBondContact CA-O 3.28Å; R81-F90 HydrophobicContact CG-CD1 4.08Å; R81-F90 HydrophobicContact CG-CE1 3.97Å
82L94.3Very high93.2Very high15 Ų1558.2 Ų58.28%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-89.7138.1169.1-178.363.4000109.1I74 V84 K88 G89 P91 I94 Y95I74-L82 HydrophobicContact CD1-CD2 4.16Å; L82-V84 HydrophobicContact CD2-CG2 4.05Å; L82-V84 HydrophobicContact CG-CG2 4.01Å; L82-K88 WeakPolarHBondContact O-CA 3.35Å; L82-G89 PolarHBondContact N-O 2.85Å; L82-G89 PolarHBondContact O-N 2.93Å; L82-P91 HydrophobicContact CB-CB 4.05Å; L82-P91 HydrophobicContact CD2-CB 4.23Å; L82-I94 HydrophobicContact CB-CD1 4.14Å; L82-I94 HydrophobicContact CD2-CD1 4.38Å; L82-Y95 HydrophobicContact CD2-CE2 3.73Å; L82-Y95 WeakPolarHBondContact CD2-OH 3.19Å
83Q93.7Very high93.1Very high112 Ų11258.6 Ų58.652%0.52331%0.309SS..EExtended strand (participates in β ladder)trans-106.5126.8171.5-165.5172.36.900110.1G86 R87 K88Q83-G86 PolarHBondContact NE2-O 2.74Å; Q83-R87 CarbonylContact C-O 3.6Å; Q83-R87 VanDerWaalsContact CA-O 3.32Å; Q83-R87 WeakPolarHBondContact CA-O 3.15Å; Q83-K88 HydrophobicContact CB-CG 3.99Å; Q83-K88 HydrophobicContact CG-CG 3.85Å
84V93.2Very high93Very high7 Ų759.2 Ų59.24%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-133.4127.8175.3-178.20000108.3F35 R38 A39 L82 G86 R87F35-V84 HydrophobicContact CD2-CB 4.35Å; F35-V84 HydrophobicContact CD2-CG1 4.06Å; F35-V84 HydrophobicContact CE2-CB 3.66Å; F35-V84 HydrophobicContact CE2-CG1 3.83Å; F35-V84 WeakPolarHBondContact CE2-O 3.39Å; F35-V84 HydrophobicContact CZ-CB 4.07Å; F35-V84 HydrophobicContact CZ-CG1 4.3Å; R38-V84 HydrophobicContact CB-CG1 4.08Å; A39-V84 HydrophobicContact CB-CG1 4.01Å; L82-V84 HydrophobicContact CD2-CG2 4.05Å; L82-V84 HydrophobicContact CG-CG2 4.01Å; V84-G86 VanDerWaalsContact C-N 3.27Å; V84-G86 PolarHBondContact O-N 3.33Å; V84-G86 VanDerWaalsContact O-N 3.17Å; V84-R87 PolarHBondContact N-O 2.92Å; V84-R87 PolarHBondContact O-N 3.03Å
85A87.6Confident93.1Very high71 Ų7158.8 Ų58.859%0.58731%0.31SS*.THydrogen-bonded Turntrans43.850.4179.200000113.5F35 R87F35-A85 HydrophobicContact CD2-CB 4.19Å; A85-R87 VanDerWaalsContact C-N 3.27Å; A85-R87 PolarHBondContact O-N 2.96Å
86G85.8Confident93.1Very high58 Ų5852.7 Ų52.760%0.59828%0.281SS*.THydrogen-bonded Turntrans84.2-31.7-179.500000115.4Q83 V84Q83-G86 PolarHBondContact NE2-O 2.74Å; V84-G86 VanDerWaalsContact C-N 3.27Å; V84-G86 PolarHBondContact O-N 3.33Å; V84-G86 VanDerWaalsContact O-N 3.17Å
87R89.8Confident93.1Very high112 Ų11253.3 Ų53.342%0.42328%0.283SS..EExtended strand (participates in β ladder)trans-82.6135.6-176.7-57.6-168.4-63.3167.54111.9E31 F35 Q83 V84 A85E31-R87 IonicContact OE2-CZ 3.49Å; E31-R87 IonicContact OE2-NH1 3.56Å; E31-R87 PolarHBondContact OE2-NH1 2.84Å; E31-R87 IonicContact OE2-NH2 3.63Å; E31-R87 PolarHBondContact OE2-NH2 2.8Å; F35-R87 VanDerWaalsContact CE1-NH2 3.31Å; F35-R87 HydrophobicContact CE2-CB 4.25Å; F35-R87 VanDerWaalsContact CE2-NH2 3.29Å; Q83-R87 CarbonylContact C-O 3.6Å; Q83-R87 VanDerWaalsContact CA-O 3.32Å; Q83-R87 WeakPolarHBondContact CA-O 3.15Å; V84-R87 PolarHBondContact N-O 2.92Å; V84-R87 PolarHBondContact O-N 3.03Å; A85-R87 VanDerWaalsContact C-N 3.27Å; A85-R87 PolarHBondContact O-N 2.96Å
88K93.1Very high93.3Very high119 Ų11950.5 Ų50.552%0.51727%0.266SS..EExtended strand (participates in β ladder)trans-102135.5174.1-73.1-168.7173.1-165.60111D79 L82 Q83D79-K88 IonicContact OD2-NZ 2.83Å; L82-K88 WeakPolarHBondContact O-CA 3.35Å; Q83-K88 HydrophobicContact CB-CG 3.99Å; Q83-K88 HydrophobicContact CG-CG 3.85Å
89G93.2Very high93.7Very high20 Ų2041.4 Ų41.421%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-158.5172.3175.200000112.2R81 L82R81-G89 CarbonylContact C-O 3.58Å; R81-G89 WeakPolarHBondContact CA-O 3.28Å; L82-G89 PolarHBondContact N-O 2.85Å; L82-G89 PolarHBondContact O-N 2.93Å
90F96.3Very high94.1Very high62 Ų6241.7 Ų41.727%0.27222%0.215SC..  trans-73.9134175.5-62.8-63000110.3R81 H92 V93 I94 K106 F119R81-F90 HydrophobicContact CG-CD1 4.08Å; R81-F90 HydrophobicContact CG-CE1 3.97Å; F90-H92 PolarHBondContact O-N 2.95Å; F90-V93 HydrophobicContact CB-CB 4.25Å; F90-V93 HydrophobicContact CB-CG2 3.91Å; F90-V93 PolarHBondContact O-N 3.33Å; F90-I94 WeakPolarHBondContact O-CG1 3.34Å; F90-I94 PolarHBondContact O-N 2.84Å; F90-K106 HydrophobicContact CD2-CB 4.06Å; F90-K106 HydrophobicContact CE2-CB 4.15Å; F90-F119 HydrophobicContact CD1-CE1 4.07Å; F90-F119 HydrophobicContact CD1-CE2 4.01Å; F90-F119 AromaticContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CD1-CZ 3.42Å; F90-F119 VanDerWaalsContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CE1-CE1 4.32Å; F90-F119 AromaticContact CE1-CZ 3.77Å; F90-F119 HydrophobicContact CE1-CZ 3.77Å; F90-F119 HydrophobicContact CG-CZ 4.24Å
91P96.6Very high94.3Very high7 Ų743.4 Ų43.45%0.04522%0.218CC..Hα-helixtrans-62.2-46-170.222.5-33.8000113I74 G80 L82 V93 I94 Y95 V126 V128I74-P91 HydrophobicContact CD1-CB 3.72Å; G80-P91 VanDerWaalsContact O-CD 3.28Å; G80-P91 WeakPolarHBondContact O-CD 3.08Å; L82-P91 HydrophobicContact CB-CB 4.05Å; L82-P91 HydrophobicContact CD2-CB 4.23Å; P91-V93 VanDerWaalsContact C-N 3.33Å; P91-V93 PolarHBondContact O-N 3.09Å; P91-I94 PolarHBondContact O-N 3.36Å; P91-Y95 WeakPolarHBondContact O-CD2 3.15Å; P91-Y95 PolarHBondContact O-N 2.88Å; P91-V126 HydrophobicContact CG-CB 4.44Å; P91-V126 HydrophobicContact CG-CG1 3.98Å; P91-V128 HydrophobicContact CB-CG1 3.89Å
92H96.4Very high94.2Very high8 Ų840.4 Ų40.44%0.03721%0.213CC..Hα-helixtrans-59.6-41.3177.566.2-70.5000112.2F90 A96 F119 Y133F90-H92 PolarHBondContact O-N 2.95Å; H92-A96 WeakPolarHBondContact O-CB 3.44Å; H92-A96 PolarHBondContact O-N 3.09Å; H92-F119 HydrophobicContact CB-CB 4.44Å; H92-F119 AromaticContact CE1-CD1 3.22Å; H92-F119 WeakPolarHBondContact CE1-CD1 3.31Å; H92-F119 AromaticContact CE1-CD2 3.79Å; H92-F119 AromaticContact CE1-CE1 3.79Å; H92-F119 AromaticContact CE1-CG 3.21Å; H92-F119 WeakPolarHBondContact CE1-CG 3.37Å; H92-F119 WeakPolarHBondContact ND1-CB 3.29Å; H92-F119 AromaticContact ND1-CD1 3.79Å; H92-F119 AromaticContact ND1-CD2 3.51Å; H92-F119 AromaticContact ND1-CG 3.25Å; H92-F119 VanDerWaalsContact ND1-CG 3.25Å; H92-F119 WeakPolarHBondContact ND1-CG 3.45Å; H92-F119 AromaticContact NE2-CD1 3.95Å; H92-Y133 HydrophobicContact CB-CE1 4.18Å; H92-Y133 HydrophobicContact CB-CE2 3.77Å; H92-Y133 WeakPolarHBondContact CB-OH 3.23Å; H92-Y133 AromaticContact CD2-CE1 3.87Å
93V96.5Very high94Very high8 Ų843.6 Ų43.65%0.04823%0.23CC..Hα-helixtrans-65.2-43.8175.4-177.10000111.8F90 P91 Y95 A96 R97 L104 L109F90-V93 HydrophobicContact CB-CB 4.25Å; F90-V93 HydrophobicContact CB-CG2 3.91Å; F90-V93 PolarHBondContact O-N 3.33Å; P91-V93 VanDerWaalsContact C-N 3.33Å; P91-V93 PolarHBondContact O-N 3.09Å; V93-Y95 PolarHBondContact O-N 2.83Å; V93-A96 PolarHBondContact O-N 2.87Å; V93-R97 VanDerWaalsContact O-CB 3.24Å; V93-R97 WeakPolarHBondContact O-CB 3.29Å; V93-R97 PolarHBondContact O-N 3.47Å; V93-L104 HydrophobicContact CG1-CD2 4.04Å; V93-L104 HydrophobicContact CG1-CG 4.42Å; V93-L109 HydrophobicContact CG2-CD1 4.27Å
94I96.3Very high93.9Very high19 Ų1938.3 Ų38.310%0.09721%0.206CC..Hα-helixtrans-57.3-48.8179.8-71.4163.8000110.7F35 L82 F90 P91 L98F35-I94 HydrophobicContact CE1-CG2 4.32Å; F35-I94 HydrophobicContact CZ-CG2 4.27Å; L82-I94 HydrophobicContact CB-CD1 4.14Å; L82-I94 HydrophobicContact CD2-CD1 4.38Å; F90-I94 WeakPolarHBondContact O-CG1 3.34Å; F90-I94 PolarHBondContact O-N 2.84Å; P91-I94 PolarHBondContact O-N 3.36Å; I94-L98 PolarHBondContact O-N 3.5Å; I94-L98 VanDerWaalsContact O-N 3.15Å
95Y97.6Very high93.6Very high0 Ų043.2 Ų43.20%023%0.228CC..Hα-helixtrans-79.4-32.9-176.2-64.8-63.9000113A39 L43 I74 L82 P91 V93 L98 W99 V128A39-Y95 HydrophobicContact CB-CE1 4.21Å; A39-Y95 PolarHBondContact O-OH 3.23Å; L43-Y95 HydrophobicContact CB-CE1 3.92Å; L43-Y95 HydrophobicContact CD1-CE2 4.35Å; L43-Y95 HydrophobicContact CD2-CD1 3.92Å; L43-Y95 HydrophobicContact CD2-CE1 3.74Å; L43-Y95 HydrophobicContact CD2-CE2 4.39Å; L43-Y95 HydrophobicContact CD2-CG 4.33Å; L43-Y95 HydrophobicContact CG-CE1 4.33Å; I74-Y95 HydrophobicContact CD1-CE2 4.48Å; L82-Y95 HydrophobicContact CD2-CE2 3.73Å; L82-Y95 WeakPolarHBondContact CD2-OH 3.19Å; P91-Y95 WeakPolarHBondContact O-CD2 3.15Å; P91-Y95 PolarHBondContact O-N 2.88Å; V93-Y95 PolarHBondContact O-N 2.83Å; Y95-L98 PolarHBondContact O-N 3.49Å; Y95-W99 HydrophobicContact CD1-CE3 4.4Å; Y95-W99 AromaticContact CD1-CH2 3.99Å; Y95-W99 HydrophobicContact CD1-CH2 3.99Å; Y95-W99 AromaticContact CD1-CZ3 3.53Å; Y95-W99 HydrophobicContact CD1-CZ3 3.53Å; Y95-W99 HydrophobicContact CG-CZ3 4Å; Y95-W99 PolarHBondContact O-N 3.4Å; Y95-V128 HydrophobicContact CD2-CB 3.55Å; Y95-V128 HydrophobicContact CD2-CG1 3.65Å; Y95-V128 HydrophobicContact CD2-CG2 4.16Å; Y95-V128 HydrophobicContact CE2-CB 4.22Å; Y95-V128 HydrophobicContact CE2-CG1 4.03Å; Y95-V128 HydrophobicContact CE2-CG2 4.48Å; Y95-V128 HydrophobicContact CG-CB 4.25Å
96A97.2Very high93.4Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-63.5-39.317000000112.6H92 V93 L98 R100 W101 L104 L109 P130H92-A96 WeakPolarHBondContact O-CB 3.44Å; H92-A96 PolarHBondContact O-N 3.09Å; V93-A96 PolarHBondContact O-N 2.87Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-R100 PolarHBondContact O-N 2.77Å; A96-W101 HydrophobicContact CB-CE3 4.26Å; A96-W101 HydrophobicContact CB-CZ3 4.49Å; A96-W101 PolarHBondContact O-N 3.3Å; A96-L104 HydrophobicContact CB-CD2 3.67Å; A96-L109 HydrophobicContact CB-CD1 3.79Å; A96-L109 HydrophobicContact CB-CD2 4.47Å; A96-P130 HydrophobicContact CB-CB 4.22Å
97R95.5Very high93.4Very high65 Ų6548.5 Ų48.525%0.24523%0.226CC..Hα-helixtrans-64.6-39.3174.3-172.2-174.5-67.8171.9-6.1112.3E31 V93 W101 P102 L104E31-R97 HydrophobicContact CG-CG 4.49Å; E31-R97 WeakPolarHBondContact OE1-CD 3.46Å; E31-R97 IonicContact OE1-CZ 3.22Å; E31-R97 IonicContact OE1-NE 2.84Å; E31-R97 IonicContact OE1-NH1 2.65Å; E31-R97 PolarHBondContact OE1-NH1 2.78Å; V93-R97 VanDerWaalsContact O-CB 3.24Å; V93-R97 WeakPolarHBondContact O-CB 3.29Å; V93-R97 PolarHBondContact O-N 3.47Å; R97-W101 VanDerWaalsContact CA-O 3.27Å; R97-W101 WeakPolarHBondContact CA-O 3.26Å; R97-W101 WeakPolarHBondContact CG-O 3.25Å; R97-P102 WeakPolarHBondContact CG-O 3.29Å; R97-L104 HydrophobicContact CB-CB 4.42Å; R97-L104 PolarHBondContact NE-O 2.84Å; R97-L104 VanDerWaalsContact NE-O 3.15Å; R97-L104 PolarHBondContact NH2-O 2.75Å
98L96.4Very high93.5Very high3 Ų344.7 Ų44.72%0.01621%0.213CC..Hα-helixtrans-64.3-41.4-177.1-157.5104.1000113.4R27 Q28 A36 I40 I94 Y95 A96R27-L98 WeakPolarHBondContact CA-O 3.17Å; Q28-L98 PolarHBondContact N-O 3.24Å; A36-L98 HydrophobicContact CB-CD1 3.78Å; I40-L98 HydrophobicContact CD1-CD2 3.52Å; I40-L98 HydrophobicContact CG1-CD2 3.61Å; I94-L98 PolarHBondContact O-N 3.5Å; I94-L98 VanDerWaalsContact O-N 3.15Å; Y95-L98 PolarHBondContact O-N 3.49Å; A96-L98 VanDerWaalsContact C-N 3.34Å
99W97.3Very high93.6Very high2 Ų239.9 Ų39.91%0.00819%0.193CC..Hα-helixtrans-113.3-12.8-169.6-73.1-60.3000115.8L23 Q28 I40 L43 L57 I61 Y95 P130L23-W99 HydrophobicContact CB-CZ2 4.13Å; L23-W99 HydrophobicContact CD1-CZ2 4.4Å; L23-W99 HydrophobicContact CD2-CZ2 4.41Å; L23-W99 PolarHBondContact O-NE1 2.72Å; Q28-W99 WeakPolarHBondContact CG-O 3.14Å; Q28-W99 PolarHBondContact NE2-O 3.39Å; Q28-W99 VanDerWaalsContact NE2-O 3.1Å; I40-W99 HydrophobicContact CD1-CZ2 3.85Å; I40-W99 HydrophobicContact CG1-CH2 4.13Å; I40-W99 HydrophobicContact CG1-CZ2 3.68Å; L43-W99 HydrophobicContact CD2-CH2 3.89Å; L43-W99 HydrophobicContact CD2-CZ3 4.08Å; L57-W99 HydrophobicContact CD1-CH2 4.43Å; L57-W99 HydrophobicContact CD1-CZ3 4.26Å; I61-W99 HydrophobicContact CD1-CB 3.82Å; I61-W99 HydrophobicContact CD1-CD2 3.54Å; I61-W99 HydrophobicContact CD1-CE3 3.78Å; I61-W99 HydrophobicContact CD1-CG 3.57Å; I61-W99 HydrophobicContact CG1-CD2 3.95Å; I61-W99 HydrophobicContact CG1-CE3 4.33Å; I61-W99 HydrophobicContact CG1-CG 4.2Å; I61-W99 HydrophobicContact CG1-CZ2 4.44Å; I61-W99 HydrophobicContact CG2-CG 4.17Å; Y95-W99 HydrophobicContact CD1-CE3 4.4Å; Y95-W99 AromaticContact CD1-CH2 3.99Å; Y95-W99 HydrophobicContact CD1-CH2 3.99Å; Y95-W99 AromaticContact CD1-CZ3 3.53Å; Y95-W99 HydrophobicContact CD1-CZ3 3.53Å; Y95-W99 HydrophobicContact CG-CZ3 4Å; Y95-W99 PolarHBondContact O-N 3.4Å; W99-P130 HydrophobicContact CB-CG 4.16Å; W99-P130 HydrophobicContact CE3-CG 4.28Å
100R95.8Very high93.7Very high70 Ų7045 Ų4526%0.26421%0.21SC..THydrogen-bonded Turntrans-130.8-52.2-179-63.7-175.673.5-166.92.5114.4A96 P130 Y131 Y133A96-R100 PolarHBondContact O-N 2.77Å; R100-P130 VanDerWaalsContact CD-O 3.25Å; R100-P130 WeakPolarHBondContact CD-O 3.4Å; R100-P130 HydrophobicContact CG-CB 4.08Å; R100-P130 HydrophobicContact CG-CG 4.46Å; R100-P130 PolarHBondContact NH1-O 2.52Å; R100-Y131 HydrophobicContact CG-CE1 4.05Å; R100-Y131 HydrophobicContact CG-CE2 4.4Å; R100-Y133 PolarHBondContact NH1-O 2.59Å
101W95.3Very high93.6Very high44 Ų4444.4 Ų44.417%0.16721%0.207CC..  trans-130.184.7-166.7-62.1-59.1000111.7A96 R97 D103 L104 L109 Y133 R135A96-W101 HydrophobicContact CB-CE3 4.26Å; A96-W101 HydrophobicContact CB-CZ3 4.49Å; A96-W101 PolarHBondContact O-N 3.3Å; R97-W101 VanDerWaalsContact CA-O 3.27Å; R97-W101 WeakPolarHBondContact CA-O 3.26Å; R97-W101 WeakPolarHBondContact CG-O 3.25Å; W101-D103 PolarHBondContact O-N 2.74Å; W101-L104 HydrophobicContact CB-CB 3.78Å; W101-L104 HydrophobicContact CB-CD1 4.32Å; W101-L104 HydrophobicContact CB-CG 4.47Å; W101-L104 HydrophobicContact CE3-CD1 4.24Å; W101-L104 HydrophobicContact CE3-CD2 4.34Å; W101-L104 WeakPolarHBondContact O-CB 3.29Å; W101-L104 PolarHBondContact O-N 2.65Å; W101-L109 HydrophobicContact CE3-CD2 3.79Å; W101-L109 HydrophobicContact CH2-CD2 4.32Å; W101-L109 HydrophobicContact CZ3-CD2 3.41Å; W101-L109 VanDerWaalsContact CZ3-CD2 3.41Å; W101-Y133 WeakPolarHBondContact CH2-O 3.3Å; W101-R135 HydrophobicContact CD2-CB 4.13Å; W101-R135 HydrophobicContact CE3-CB 4.39Å; W101-R135 HydrophobicContact CH2-CB 3.89Å; W101-R135 HydrophobicContact CZ2-CB 3.61Å; W101-R135 HydrophobicContact CZ3-CB 4.3Å
102P91.4Very high93.6Very high47 Ų4744.5 Ų44.531%0.30521%0.208SC..THydrogen-bonded Turntrans-62-18.1-171.824.9-34.1000114.2Q28 R97Q28-P102 HydrophobicContact CB-CB 4.46Å; Q28-P102 HydrophobicContact CB-CG 4.17Å; R97-P102 WeakPolarHBondContact CG-O 3.29Å
103D88.9Confident93.4Very high82 Ų8254.6 Ų54.644%0.43925%0.252SS..THydrogen-bonded Turntrans-98.10.4179.168-49.5000114.4W101 H105 R135W101-D103 PolarHBondContact O-N 2.74Å; D103-H105 PolarHBondContact O-CE1 3.24Å; D103-H105 PolarHBondContact O-ND1 2.87Å; D103-R135 VanDerWaalsContact CG-NH1 3.29Å; D103-R135 IonicContact OD1-CZ 2.68Å; D103-R135 IonicContact OD1-NH1 2.98Å; D103-R135 PolarHBondContact OD1-NH1 2.98Å; D103-R135 IonicContact OD1-NH2 3.27Å; D103-R135 IonicContact OD2-CZ 2.76Å; D103-R135 IonicContact OD2-NH1 3.03Å; D103-R135 PolarHBondContact OD2-NH1 3.12Å; D103-R135 IonicContact OD2-NH2 3.74Å; D103-R135 PolarHBondContact OD2-NH2 3.34Å
104L91.6Very high93.3Very high0 Ų060.7 Ų60.70%028%0.275CS..  trans-60.2132.1-171.7-177.675.3000114.7V93 A96 R97 W101 E108 L109 R135V93-L104 HydrophobicContact CG1-CD2 4.04Å; V93-L104 HydrophobicContact CG1-CG 4.42Å; A96-L104 HydrophobicContact CB-CD2 3.67Å; R97-L104 HydrophobicContact CB-CB 4.42Å; R97-L104 PolarHBondContact NE-O 2.84Å; R97-L104 VanDerWaalsContact NE-O 3.15Å; R97-L104 PolarHBondContact NH2-O 2.75Å; W101-L104 HydrophobicContact CB-CB 3.78Å; W101-L104 HydrophobicContact CB-CD1 4.32Å; W101-L104 HydrophobicContact CB-CG 4.47Å; W101-L104 HydrophobicContact CE3-CD1 4.24Å; W101-L104 HydrophobicContact CE3-CD2 4.34Å; W101-L104 WeakPolarHBondContact O-CB 3.29Å; W101-L104 PolarHBondContact O-N 2.65Å; L104-E108 HydrophobicContact CD1-CB 3.72Å; L104-L109 HydrophobicContact CD1-CD2 3.69Å; L104-L109 HydrophobicContact CD1-CG 4.03Å; L104-L109 HydrophobicContact CD2-CD1 3.82Å; L104-L109 HydrophobicContact CD2-CD2 3.86Å; L104-L109 HydrophobicContact CD2-CG 3.85Å; L104-L109 HydrophobicContact CG-CD2 4.39Å; L104-L109 HydrophobicContact CG-CG 4.41Å; L104-R135 HydrophobicContact CD1-CG 4.07Å
105H87.8Confident93.3Very high111 Ų11160 Ų6051%0.51427%0.271SS..  trans-97.3166.4171.8-60.291.5000114.3D103 N107 E108D103-H105 PolarHBondContact O-CE1 3.24Å; D103-H105 PolarHBondContact O-ND1 2.87Å; H105-N107 PolarHBondContact O-N 2.85Å; H105-N107 VanDerWaalsContact O-N 3.11Å; H105-E108 HydrophobicContact CB-CG 4.04Å; H105-E108 WeakPolarHBondContact CB-OE1 3.43Å; H105-E108 IonicContact CG-OE1 3.56Å; H105-E108 PolarHBondContact N-OE2 2.92Å; H105-E108 IonicContact ND1-OE1 2.77Å; H105-E108 PolarHBondContact ND1-OE1 3.3Å; H105-E108 IonicContact ND1-OE2 3.86Å; H105-E108 PolarHBondContact O-N 3.15Å
106K82.8Confident93.3Very high135 Ų13566.5 Ų66.559%0.58730%0.302SS*.THydrogen-bonded Turntrans-60.3-20.8-17158.2174-177.9-172.10116.6F90F90-K106 HydrophobicContact CD2-CB 4.06Å; F90-K106 HydrophobicContact CE2-CB 4.15Å
107N86.9Confident93.3Very high105 Ų10571 Ų7156%0.56132%0.32SS*.THydrogen-bonded Turntrans-116.511-175.1-65.60.5000112.5H105H105-N107 PolarHBondContact O-N 2.85Å; H105-N107 VanDerWaalsContact O-N 3.11Å
108E90.6Very high93.3Very high31 Ų3167.9 Ų67.915%0.14531%0.308CS..  trans-98.713.4-173.8-65.2177.2179.200113.1L104 H105 R135 V136L104-E108 HydrophobicContact CD1-CB 3.72Å; H105-E108 HydrophobicContact CB-CG 4.04Å; H105-E108 WeakPolarHBondContact CB-OE1 3.43Å; H105-E108 IonicContact CG-OE1 3.56Å; H105-E108 PolarHBondContact N-OE2 2.92Å; H105-E108 IonicContact ND1-OE1 2.77Å; H105-E108 PolarHBondContact ND1-OE1 3.3Å; H105-E108 IonicContact ND1-OE2 3.86Å; H105-E108 PolarHBondContact O-N 3.15Å; E108-R135 HydrophobicContact CB-CG 4.36Å; E108-R135 CarbonylContact O-C 3.58Å; E108-R135 VanDerWaalsContact O-CA 3.25Å; E108-R135 WeakPolarHBondContact O-CA 3.29Å; E108-R135 WeakPolarHBondContact O-CG 3.32Å; E108-R135 IonicContact OE1-NH2 3.61Å; E108-R135 IonicContact OE2-CZ 2.66Å; E108-R135 IonicContact OE2-NE 3.82Å; E108-R135 PolarHBondContact OE2-NE 2.85Å; E108-R135 IonicContact OE2-NH2 3.77Å; E108-R135 PolarHBondContact OE2-NH2 3.18Å; E108-V136 WeakPolarHBondContact CA-O 3.34Å; E108-V136 PolarHBondContact O-N 3.4Å
109L94.8Very high93.3Very high18 Ų1869.2 Ų69.29%0.09431%0.314CS..EExtended strand (participates in β ladder)trans-116.1136.1177.7-67.9-175.3000111.3V93 A96 W101 L104 Y133V93-L109 HydrophobicContact CG2-CD1 4.27Å; A96-L109 HydrophobicContact CB-CD1 3.79Å; A96-L109 HydrophobicContact CB-CD2 4.47Å; W101-L109 HydrophobicContact CE3-CD2 3.79Å; W101-L109 HydrophobicContact CH2-CD2 4.32Å; W101-L109 HydrophobicContact CZ3-CD2 3.41Å; W101-L109 VanDerWaalsContact CZ3-CD2 3.41Å; L104-L109 HydrophobicContact CD1-CD2 3.69Å; L104-L109 HydrophobicContact CD1-CG 4.03Å; L104-L109 HydrophobicContact CD2-CD1 3.82Å; L104-L109 HydrophobicContact CD2-CD2 3.86Å; L104-L109 HydrophobicContact CD2-CG 3.85Å; L104-L109 HydrophobicContact CG-CD2 4.39Å; L104-L109 HydrophobicContact CG-CG 4.41Å; L109-Y133 HydrophobicContact CB-CD1 4.19Å; L109-Y133 HydrophobicContact CD1-CD1 4.41Å; L109-Y133 HydrophobicContact CD1-CG 4.25Å
110K95.3Very high93.1Very high128 Ų12873 Ų7356%0.55733%0.334SS*.EExtended strand (participates in β ladder)trans-123.7139165.6-173.7176.1-178.9179.30108.5Y133 E134 V136K110-Y133 CarbonylContact O-C 3.52Å; K110-Y133 VanDerWaalsContact O-CA 3.3Å; K110-Y133 WeakPolarHBondContact O-CA 3.32Å; K110-E134 PolarHBondContact N-O 2.71Å; K110-E134 PolarHBondContact O-N 2.7Å; K110-V136 HydrophobicContact CB-CG1 3.6Å; K110-V136 HydrophobicContact CB-CG2 4.07Å; K110-V136 HydrophobicContact CD-CG1 4.19Å
111H95.8Very high93Very high49 Ų4973.6 Ų73.623%0.22734%0.342CS..EExtended strand (participates in β ladder)trans-80.4147.4-179.861.3-88.9000112.4C115 A118 D120 H132 Y133H111-C115 HydrophobicContact CB-CB 4.44Å; H111-A118 HydrophobicContact CB-CB 3.27Å; H111-D120 IonicContact CE1-OD2 2.74Å; H111-D120 IonicContact ND1-OD2 3.39Å; H111-D120 PolarHBondContact ND1-OD2 3.33Å; H111-H132 WeakPolarHBondContact CA-O 3.38Å; H111-Y133 HydrophobicContact CB-CD1 3.91Å; H111-Y133 HydrophobicContact CB-CE1 3.89Å
112V94.7Very high92.8Very high9 Ų979.6 Ų79.66%0.05537%0.369CS..  trans-70.9148.6173.3-58.70000110.8Y114 C115 H132 E134V112-Y114 HydrophobicContact CB-CD1 4.16Å; V112-Y114 HydrophobicContact CB-CE1 3.81Å; V112-Y114 HydrophobicContact CG1-CE1 4.46Å; V112-Y114 HydrophobicContact CG2-CD1 3.85Å; V112-Y114 HydrophobicContact CG2-CD2 3.84Å; V112-Y114 HydrophobicContact CG2-CE1 3.54Å; V112-Y114 HydrophobicContact CG2-CE2 3.53Å; V112-Y114 HydrophobicContact CG2-CG 3.99Å; V112-Y114 PolarHBondContact O-N 2.99Å; V112-C115 HydrophobicContact CG2-CB 4.01Å; V112-C115 WeakPolarHBondContact O-CB 3.41Å; V112-C115 PolarHBondContact O-N 2.91Å; V112-H132 HydrophobicContact CG2-CB 4.35Å; V112-H132 WeakPolarHBondContact CG2-O 3.2Å; V112-H132 PolarHBondContact N-O 2.88Å; V112-E134 HydrophobicContact CG1-CG 3.92Å
113K93.3Very high92.9Very high220 Ų22079.5 Ų79.596%0.95737%0.369SS*.THydrogen-bonded Turntrans-56.4-25.6-173.5-66.9-178.2-179.9176.20115
114Y94.2Very high93.2Very high136 Ų13681.7 Ų81.753%0.53338%0.381SS..THydrogen-bonded Turntrans-91.5-0.2-179.760.9-98.3000114V112 Q116 H132V112-Y114 HydrophobicContact CB-CD1 4.16Å; V112-Y114 HydrophobicContact CB-CE1 3.81Å; V112-Y114 HydrophobicContact CG1-CE1 4.46Å; V112-Y114 HydrophobicContact CG2-CD1 3.85Å; V112-Y114 HydrophobicContact CG2-CD2 3.84Å; V112-Y114 HydrophobicContact CG2-CE1 3.54Å; V112-Y114 HydrophobicContact CG2-CE2 3.53Å; V112-Y114 HydrophobicContact CG2-CG 3.99Å; V112-Y114 PolarHBondContact O-N 2.99Å; Y114-Q116 PolarHBondContact O-N 3.21Å; Y114-H132 AromaticContact CE2-NE2 3.93Å
115C96.8Very high93.4Very high4 Ų482.9 Ų82.93%0.02739%0.389CS..  trans-79.5106176.2-168.90000111.1H111 V112 Y117 A118 L121 C127 H132H111-C115 HydrophobicContact CB-CB 4.44Å; V112-C115 HydrophobicContact CG2-CB 4.01Å; V112-C115 WeakPolarHBondContact O-CB 3.41Å; V112-C115 PolarHBondContact O-N 2.91Å; C115-Y117 VanDerWaalsContact C-N 3.34Å; C115-Y117 PolarHBondContact O-N 3.46Å; C115-A118 HydrophobicContact CB-CB 4.23Å; C115-L121 WeakPolarHBondContact O-CD1 3.34Å; C115-C127 VanDerWaalsContact SG-CB 3.55Å; C115-H132 HydrophobicContact CB-CB 4.08Å; C115-H132 PolarHBondContact SG-ND1 2.84Å; C115-H132 VanDerWaalsContact SG-ND1 3.44Å
116Q96.9Very high93.9Very high138 Ų13877.7 Ų77.765%0.64537%0.366SS*.THydrogen-bonded Turntrans-76.2-19-175.6-62.4174.815.700114.1Y114Y114-Q116 PolarHBondContact O-N 3.21Å
117Y97.8Very high94.6Very high94 Ų9471.3 Ų71.337%0.36934%0.338SS..THydrogen-bonded Turntrans-122.524.6-174.3-60.5-83.1000112.4C71 T73 C115 C123 V126 C127C71-Y117 HydrophobicContact CB-CD2 3.85Å; T73-Y117 HydrophobicContact CG2-CD2 3.76Å; T73-Y117 HydrophobicContact CG2-CE2 4.49Å; T73-Y117 HydrophobicContact CG2-CG 3.8Å; C115-Y117 VanDerWaalsContact C-N 3.34Å; C115-Y117 PolarHBondContact O-N 3.46Å; Y117-C123 HydrophobicContact CD1-CB 4.46Å; Y117-V126 CarbonylContact O-C 3.59Å; Y117-V126 WeakPolarHBondContact O-CA 3.4Å; Y117-C127 PolarHBondContact O-N 2.85Å
118A96.1Very high95.2Very high0 Ų066.3 Ų66.30%031%0.311CS..  trans-56.1149.3-179.300000112.8H111 C115 D120 L121 Y133H111-A118 HydrophobicContact CB-CB 3.27Å; C115-A118 HydrophobicContact CB-CB 4.23Å; A118-D120 PolarHBondContact O-N 3.35Å; A118-D120 VanDerWaalsContact O-N 3.15Å; A118-L121 HydrophobicContact CB-CD1 3.98Å; A118-L121 HydrophobicContact CB-CG 4.05Å; A118-L121 WeakPolarHBondContact O-CB 3.36Å; A118-L121 PolarHBondContact O-N 3.27Å; A118-Y133 HydrophobicContact CB-CE1 4.45Å
119F94.9Very high95.5Very high31 Ų3164.9 Ų64.914%0.13630%0.304CS..G310 helixtrans-56.6-35.1-174.6-178.5-99.3000113.8R76 G80 F90 H92 L121 K122 V126 Y133R76-F119 PolarHBondContact NH2-O 3.4Å; G80-F119 WeakPolarHBondContact O-CE2 3.47Å; F90-F119 HydrophobicContact CD1-CE1 4.07Å; F90-F119 HydrophobicContact CD1-CE2 4.01Å; F90-F119 AromaticContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CD1-CZ 3.42Å; F90-F119 VanDerWaalsContact CD1-CZ 3.42Å; F90-F119 HydrophobicContact CE1-CE1 4.32Å; F90-F119 AromaticContact CE1-CZ 3.77Å; F90-F119 HydrophobicContact CE1-CZ 3.77Å; F90-F119 HydrophobicContact CG-CZ 4.24Å; H92-F119 HydrophobicContact CB-CB 4.44Å; H92-F119 AromaticContact CE1-CD1 3.22Å; H92-F119 WeakPolarHBondContact CE1-CD1 3.31Å; H92-F119 AromaticContact CE1-CD2 3.79Å; H92-F119 AromaticContact CE1-CE1 3.79Å; H92-F119 AromaticContact CE1-CG 3.21Å; H92-F119 WeakPolarHBondContact CE1-CG 3.37Å; H92-F119 WeakPolarHBondContact ND1-CB 3.29Å; H92-F119 AromaticContact ND1-CD1 3.79Å; H92-F119 AromaticContact ND1-CD2 3.51Å; H92-F119 AromaticContact ND1-CG 3.25Å; H92-F119 VanDerWaalsContact ND1-CG 3.25Å; H92-F119 WeakPolarHBondContact ND1-CG 3.45Å; H92-F119 AromaticContact NE2-CD1 3.95Å; F119-L121 VanDerWaalsContact C-N 3.3Å; F119-L121 PolarHBondContact O-N 3.07Å; F119-K122 PolarHBondContact O-N 3.07Å; F119-V126 HydrophobicContact CB-CG1 4.09Å; F119-V126 HydrophobicContact CD2-CG1 3.91Å; F119-V126 HydrophobicContact CD2-CG2 4.18Å; F119-Y133 PolarHBondContact N-OH 3.23Å; F119-Y133 VanDerWaalsContact N-OH 3.1Å
120D92.6Very high95.6Very high82 Ų8264 Ų6444%0.43930%0.3SS..G310 helixtrans-73-21.7-178.1-47.9-47.3000113.4H111 A118 K122H111-D120 IonicContact CE1-OD2 2.74Å; H111-D120 IonicContact ND1-OD2 3.39Å; H111-D120 PolarHBondContact ND1-OD2 3.33Å; A118-D120 PolarHBondContact O-N 3.35Å; A118-D120 VanDerWaalsContact O-N 3.15Å; D120-K122 PolarHBondContact O-N 3.47Å
121L94.3Very high95.7Very high81 Ų8159.2 Ų59.242%0.42428%0.278SS..G310 helixtrans-74.2-6.3179.7-57.2178000113C115 A118 F119 C123C115-L121 WeakPolarHBondContact O-CD1 3.34Å; A118-L121 HydrophobicContact CB-CD1 3.98Å; A118-L121 HydrophobicContact CB-CG 4.05Å; A118-L121 WeakPolarHBondContact O-CB 3.36Å; A118-L121 PolarHBondContact O-N 3.27Å; F119-L121 VanDerWaalsContact C-N 3.3Å; F119-L121 PolarHBondContact O-N 3.07Å; L121-C123 PolarHBondContact O-N 2.89Å
122K92Very high95.8Very high170 Ų17057 Ų5774%0.73927%0.268SS*.  trans57.415.3174.6-63.8175.8-174175.50116F119 D120F119-K122 PolarHBondContact O-N 3.07Å; D120-K122 PolarHBondContact O-N 3.47Å
123C93.8Very high95.9Very high45 Ų4556.6 Ų56.630%0.30427%0.266SS..  trans-59.3157.3173.8-48.70000112.8R76 Y117 L121 S125R76-C123 WeakPolarHBondContact CD-O 3.35Å; R76-C123 PolarHBondContact NE-O 3.17Å; Y117-C123 HydrophobicContact CD1-CB 4.46Å; L121-C123 PolarHBondContact O-N 2.89Å; C123-S125 PolarHBondContact O-N 3.03Å; C123-S125 VanDerWaalsContact O-N 3.13Å
124D94.5Very high96Very high128 Ų12851.3 Ų51.368%0.68424%0.244SC*.SBendtrans-59.8-22.7177.6-65.5-26.1000113.8Q75 R76Q75-D124 PolarHBondContact NE2-O 2.99Å; Q75-D124 VanDerWaalsContact NE2-O 3.1Å; R76-D124 WeakPolarHBondContact CB-O 3.44Å; R76-D124 PolarHBondContact N-O 3.15Å
125S96.4Very high96Very high26 Ų2649 Ų4918%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-114.2147.3171.7-74.90000111I74 C123I74-S125 CarbonylContact O-C 3.53Å; I74-S125 WeakPolarHBondContact O-CA 3.45Å; C123-S125 PolarHBondContact O-N 3.03Å; C123-S125 VanDerWaalsContact O-N 3.13Å
126V97.6Very high95.7Very high2 Ų251 Ų511%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-119.6127.6-179.4-179.90000110.3T73 I74 R76 P91 Y117 F119T73-V126 WeakPolarHBondContact CA-O 3.38Å; I74-V126 PolarHBondContact N-O 3.18Å; I74-V126 PolarHBondContact O-N 3.49Å; R76-V126 HydrophobicContact CB-CG2 3.99Å; R76-V126 HydrophobicContact CG-CG2 4.29Å; P91-V126 HydrophobicContact CG-CB 4.44Å; P91-V126 HydrophobicContact CG-CG1 3.98Å; Y117-V126 CarbonylContact O-C 3.59Å; Y117-V126 WeakPolarHBondContact O-CA 3.4Å; F119-V126 HydrophobicContact CB-CG1 4.09Å; F119-V126 HydrophobicContact CD2-CG1 3.91Å; F119-V126 HydrophobicContact CD2-CG2 4.18Å
127C98.3Very high94.4Very high0 Ų050 Ų500%025%0.25CC..EExtended strand (participates in β ladder)trans-69.9128.3170.6-167.80000110.7C71 V72 C115 Y117 H132 Y133C71-C127 HydrophobicContact CB-CB 4.47Å; V72-C127 CarbonylContact O-C 3.5Å; V72-C127 VanDerWaalsContact O-CA 3.26Å; V72-C127 WeakPolarHBondContact O-CA 3.32Å; C115-C127 VanDerWaalsContact SG-CB 3.55Å; Y117-C127 PolarHBondContact O-N 2.85Å; C127-H132 PolarHBondContact SG-ND1 3.1Å; C127-Y133 WeakPolarHBondContact O-CE2 3.49Å; C127-Y133 PolarHBondContact O-OH 3.44Å
128V98.1Very high92.2Very high1 Ų147.9 Ų47.91%0.00625%0.249CC..  trans-117.36.2176.7-64.80000113.1L43 V72 I74 P91 Y95 P130L43-V128 HydrophobicContact CD1-CG2 3.86Å; L43-V128 HydrophobicContact CD2-CG2 4.28Å; V72-V128 HydrophobicContact CB-CG2 4.41Å; V72-V128 HydrophobicContact CG1-CG2 4.03Å; V72-V128 WeakPolarHBondContact O-CG2 3.36Å; V72-V128 PolarHBondContact O-N 3.15Å; I74-V128 HydrophobicContact CD1-CG1 3.97Å; I74-V128 HydrophobicContact CG1-CG1 3.96Å; I74-V128 HydrophobicContact CG2-CG2 4.28Å; P91-V128 HydrophobicContact CB-CG1 3.89Å; Y95-V128 HydrophobicContact CD2-CB 3.55Å; Y95-V128 HydrophobicContact CD2-CG1 3.65Å; Y95-V128 HydrophobicContact CD2-CG2 4.16Å; Y95-V128 HydrophobicContact CE2-CB 4.22Å; Y95-V128 HydrophobicContact CE2-CG1 4.03Å; Y95-V128 HydrophobicContact CE2-CG2 4.48Å; Y95-V128 HydrophobicContact CG-CB 4.25Å; V128-P130 WeakPolarHBondContact O-CD 3.31Å
129N97.8Very high89.6Confident0 Ų054.1 Ų54.10%029%0.289CS..  trans-62.7115.9170.5-175.4-21.9000108.5S69 K70 V72 Y131 H132 Y133S69-N129 PolarHBondContact OG-ND2 2.75Å; K70-N129 PolarHBondContact O-ND2 3.49Å; K70-N129 VanDerWaalsContact O-ND2 3.1Å; V72-N129 HydrophobicContact CB-CB 4.05Å; V72-N129 HydrophobicContact CG2-CB 3.89Å; N129-Y131 PolarHBondContact O-N 2.87Å; N129-Y131 PolarHBondContact OD1-N 2.89Å; N129-H132 HydrophobicContact CB-CB 4.27Å; N129-H132 PolarHBondContact ND2-CD2 2.87Å; N129-H132 PolarHBondContact ND2-NE2 3.29Å; N129-H132 WeakPolarHBondContact O-CB 3.32Å; N129-H132 PolarHBondContact O-N 2.81Å; N129-H132 VanDerWaalsContact O-N 3.09Å; N129-Y133 WeakPolarHBondContact O-CD2 3.42Å
130P97.1Very high87.1Confident0 Ų056.3 Ų56.30%032%0.321CS..G310 helixtrans-71.2-14.8-172.832.8-38.5000112.8I61 A96 W99 R100 V128I61-P130 HydrophobicContact CD1-CG 3.54Å; A96-P130 HydrophobicContact CB-CB 4.22Å; W99-P130 HydrophobicContact CB-CG 4.16Å; W99-P130 HydrophobicContact CE3-CG 4.28Å; R100-P130 VanDerWaalsContact CD-O 3.25Å; R100-P130 WeakPolarHBondContact CD-O 3.4Å; R100-P130 HydrophobicContact CG-CB 4.08Å; R100-P130 HydrophobicContact CG-CG 4.46Å; R100-P130 PolarHBondContact NH1-O 2.52Å; V128-P130 WeakPolarHBondContact O-CD 3.31Å
131Y97.3Very high84.9Confident28 Ų2857.7 Ų57.711%0.1133%0.327CS..G310 helixtrans-87.2-4174.8-62.9-79.5000113.6A60 I61 N64 R100 N129A60-Y131 HydrophobicContact CB-CD2 4.01Å; A60-Y131 WeakPolarHBondContact O-CE2 3.23Å; I61-Y131 HydrophobicContact CD1-CE2 4.06Å; N64-Y131 VanDerWaalsContact C-CE1 3.44Å; N64-Y131 WeakPolarHBondContact CA-OH 3.31Å; N64-Y131 VanDerWaalsContact O-CE1 3.25Å; N64-Y131 WeakPolarHBondContact O-CE1 3.46Å; N64-Y131 PolarHBondContact OD1-OH 3.4Å; R100-Y131 HydrophobicContact CG-CE1 4.05Å; R100-Y131 HydrophobicContact CG-CE2 4.4Å; N129-Y131 PolarHBondContact O-N 2.87Å; N129-Y131 PolarHBondContact OD1-N 2.89Å
132H97.7Very high82.1Confident2 Ų260.1 Ų60.11%0.00934%0.34CS..G310 helixtrans-88.35.4171.3-75.2-150.6000113S69 K70 C71 H111 V112 Y114 C115 C127 N129S69-H132 PolarHBondContact O-CE1 2.82Å; S69-H132 PolarHBondContact O-NE2 3.3Å; K70-H132 PolarHBondContact O-CE1 2.84Å; K70-H132 PolarHBondContact O-NE2 3.08Å; C71-H132 VanDerWaalsContact CA-CE1 3.49Å; C71-H132 WeakPolarHBondContact CA-CE1 3.35Å; C71-H132 PolarHBondContact N-CE1 2.9Å; C71-H132 VanDerWaalsContact N-CE1 3.34Å; C71-H132 VanDerWaalsContact SG-CE1 3.59Å; C71-H132 PolarHBondContact SG-ND1 2.87Å; H111-H132 WeakPolarHBondContact CA-O 3.38Å; V112-H132 HydrophobicContact CG2-CB 4.35Å; V112-H132 WeakPolarHBondContact CG2-O 3.2Å; V112-H132 PolarHBondContact N-O 2.88Å; Y114-H132 AromaticContact CE2-NE2 3.93Å; C115-H132 HydrophobicContact CB-CB 4.08Å; C115-H132 PolarHBondContact SG-ND1 2.84Å; C115-H132 VanDerWaalsContact SG-ND1 3.44Å; C127-H132 PolarHBondContact SG-ND1 3.1Å; N129-H132 HydrophobicContact CB-CB 4.27Å; N129-H132 PolarHBondContact ND2-CD2 2.87Å; N129-H132 PolarHBondContact ND2-NE2 3.29Å; N129-H132 WeakPolarHBondContact O-CB 3.32Å; N129-H132 PolarHBondContact O-N 2.81Å; N129-H132 VanDerWaalsContact O-N 3.09Å
133Y97.3Very high79.8Confident1 Ų157.9 Ų57.90%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-127.7145.4175.6-58.9-92.7000110H92 R100 W101 L109 K110 H111 A118 F119 C127 N129H92-Y133 HydrophobicContact CB-CE1 4.18Å; H92-Y133 HydrophobicContact CB-CE2 3.77Å; H92-Y133 WeakPolarHBondContact CB-OH 3.23Å; H92-Y133 AromaticContact CD2-CE1 3.87Å; R100-Y133 PolarHBondContact NH1-O 2.59Å; W101-Y133 WeakPolarHBondContact CH2-O 3.3Å; L109-Y133 HydrophobicContact CB-CD1 4.19Å; L109-Y133 HydrophobicContact CD1-CD1 4.41Å; L109-Y133 HydrophobicContact CD1-CG 4.25Å; K110-Y133 CarbonylContact O-C 3.52Å; K110-Y133 VanDerWaalsContact O-CA 3.3Å; K110-Y133 WeakPolarHBondContact O-CA 3.32Å; H111-Y133 HydrophobicContact CB-CD1 3.91Å; H111-Y133 HydrophobicContact CB-CE1 3.89Å; A118-Y133 HydrophobicContact CB-CE1 4.45Å; F119-Y133 PolarHBondContact N-OH 3.23Å; F119-Y133 VanDerWaalsContact N-OH 3.1Å; C127-Y133 WeakPolarHBondContact O-CE2 3.49Å; C127-Y133 PolarHBondContact O-OH 3.44Å; N129-Y133 WeakPolarHBondContact O-CD2 3.42Å
134E94.8Very high77.2Confident109 Ų10960.4 Ų60.451%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-106.6142.7170.2-70.8166.7-177.800107.9K110 V112K110-E134 PolarHBondContact N-O 2.71Å; K110-E134 PolarHBondContact O-N 2.7Å; V112-E134 HydrophobicContact CG1-CG 3.92Å
135R94.2Very high74.6Confident86 Ų8657.7 Ų57.733%0.32536%0.356SS..EExtended strand (participates in β ladder)trans-78.2128.3173.8-167.3176.5-171.5-178.82.5108.8W101 D103 L104 E108W101-R135 HydrophobicContact CD2-CB 4.13Å; W101-R135 HydrophobicContact CE3-CB 4.39Å; W101-R135 HydrophobicContact CH2-CB 3.89Å; W101-R135 HydrophobicContact CZ2-CB 3.61Å; W101-R135 HydrophobicContact CZ3-CB 4.3Å; D103-R135 VanDerWaalsContact CG-NH1 3.29Å; D103-R135 IonicContact OD1-CZ 2.68Å; D103-R135 IonicContact OD1-NH1 2.98Å; D103-R135 PolarHBondContact OD1-NH1 2.98Å; D103-R135 IonicContact OD1-NH2 3.27Å; D103-R135 IonicContact OD2-CZ 2.76Å; D103-R135 IonicContact OD2-NH1 3.03Å; D103-R135 PolarHBondContact OD2-NH1 3.12Å; D103-R135 IonicContact OD2-NH2 3.74Å; D103-R135 PolarHBondContact OD2-NH2 3.34Å; L104-R135 HydrophobicContact CD1-CG 4.07Å; E108-R135 HydrophobicContact CB-CG 4.36Å; E108-R135 CarbonylContact O-C 3.58Å; E108-R135 VanDerWaalsContact O-CA 3.25Å; E108-R135 WeakPolarHBondContact O-CA 3.29Å; E108-R135 WeakPolarHBondContact O-CG 3.32Å; E108-R135 IonicContact OE1-NH2 3.61Å; E108-R135 IonicContact OE2-CZ 2.66Å; E108-R135 IonicContact OE2-NE 3.82Å; E108-R135 PolarHBondContact OE2-NE 2.85Å; E108-R135 IonicContact OE2-NH2 3.77Å; E108-R135 PolarHBondContact OE2-NH2 3.18Å
136V89.9Confident71.8Confident48 Ų4863.2 Ų63.229%0.29138%0.383SS..  trans-118.6143176.1-66.30000109.8E108 K110E108-V136 WeakPolarHBondContact CA-O 3.34Å; E108-V136 PolarHBondContact O-N 3.4Å; K110-V136 HydrophobicContact CB-CG1 3.6Å; K110-V136 HydrophobicContact CB-CG2 4.07Å; K110-V136 HydrophobicContact CD-CG1 4.19Å
137V70.1Confident68.9Low116 Ų11668.8 Ų68.870%0.70342%0.417SS*.  trans-69.7136.4168.7-1740000107.8I141V137-I141 HydrophobicContact CG1-CD1 3.95Å
138S51.4Low65.8Low50 Ų5076.9 Ų76.935%0.3546%0.459SS..  trans-59.1139.6179.5-730000110.7G140S138-G140 PolarHBondContact O-N 3.3Å
139P41.6Very low62.7Low131 Ų13185 Ų8585%0.85150%0.497SS*.THydrogen-bonded Turntrans-68.623.6-174.1-21.334.3000116.9I141P139-I141 VanDerWaalsContact C-N 3.3Å
140G42Very low59.4Low77 Ų7790 Ų9079%0.79453%0.533SS*.THydrogen-bonded Turntrans-86.34.7173.900000114.1S138S138-G140 PolarHBondContact O-N 3.3Å
141I47.3Very low56.1Low111 Ų11197.6 Ų97.657%0.56957%0.573SS**SBendtrans-110110.2169.5-52.1-178.3000106.7V137 P139 L143V137-I141 HydrophobicContact CG1-CD1 3.95Å; P139-I141 VanDerWaalsContact C-N 3.3Å; I141-L143 HydrophobicContact CB-CD1 4.39Å; I141-L143 HydrophobicContact CG2-CD1 3.88Å; I141-L143 PolarHBondContact O-N 3.37Å
142D35.2Very low52.9Low131 Ų131100 Ų10070%0.70160%0.599SS**  trans-67.4113.4175.9-175.68.3000109.9S144D142-S144 WeakPolarHBondContact OD1-CB 3.22Å; D142-S144 PolarHBondContact OD1-N 3.28Å; D142-S144 PolarHBondContact OD1-OG 2.98Å
143L42.8Very low49.9Very low123 Ų123105.7 Ų105.764%0.64464%0.636SS**  trans-98.412.1177.4-109.278.5000112.9I141 G145 L146I141-L143 HydrophobicContact CB-CD1 4.39Å; I141-L143 HydrophobicContact CG2-CD1 3.88Å; I141-L143 PolarHBondContact O-N 3.37Å; L143-G145 PolarHBondContact O-N 3.01Å; L143-L146 PolarHBondContact O-N 3.4Å
144S39.1Very low46.8Very low99 Ų99112 Ų11269%0.69268%0.677SS**THydrogen-bonded Turntrans-66.3-1.7-176.7-52.40000114.8D142D142-S144 WeakPolarHBondContact OD1-CB 3.22Å; D142-S144 PolarHBondContact OD1-N 3.28Å; D142-S144 PolarHBondContact OD1-OG 2.98Å
145G40Very low43.7Very low70 Ų70111.8 Ų111.872%0.72269%0.687SS**THydrogen-bonded Turntrans-87.9-6.8177.700000116.2L143L143-G145 PolarHBondContact O-N 3.01Å
146L37.5Very low40.8Very low142 Ų142116.2 Ų116.274%0.74371%0.714SS**  trans-108.564.8-176-67.8176.8000113.1L143 L148L143-L146 PolarHBondContact O-N 3.4Å; L146-L148 PolarHBondContact O-N 3.29Å
147T36.7Very low38.2Very low120 Ų120122.5 Ų122.574%0.73675%0.745SS**  trans-74.5112.4163.252.80000109.8Q149T147-Q149 PolarHBondContact O-N 3.24Å
148L34.9Very low36.3Very low169 Ų169123.3 Ų123.389%0.88575%0.75SS**  trans-58.8110.8171.2-77.497.1000110.5L146 S150L146-L148 PolarHBondContact O-N 3.29Å; L148-S150 PolarHBondContact O-N 3.49Å; L148-S150 VanDerWaalsContact O-N 3.1Å
149Q31.8Very low35.1Very low171 Ų171128.2 Ų128.280%0.79977%0.765SS**  trans-7593.5159.4-75.7-173.4-7.900108.6T147 N151T147-Q149 PolarHBondContact O-N 3.24Å; Q149-N151 PolarHBondContact O-N 2.83Å; Q149-N151 VanDerWaalsContact O-N 3.12Å
150S28.4Very low34.6Very low107 Ų107129.9 Ų129.975%0.74877%0.767SS**  trans-71.399.4169.6-173.20000109.4L148 A152L148-S150 PolarHBondContact O-N 3.49Å; L148-S150 VanDerWaalsContact O-N 3.1Å; S150-A152 PolarHBondContact O-N 2.89Å; S150-A152 VanDerWaalsContact O-N 3.16Å
151N28.7Very low33.9Very low159 Ų159132.5 Ų132.585%0.8576%0.758SS**  trans-75.298.3170.4-89.1-5.7000109.9Q149Q149-N151 PolarHBondContact O-N 2.83Å; Q149-N151 VanDerWaalsContact O-N 3.12Å
152A30.3Very low33.1Very low79 Ų79137.7 Ų137.765%0.65377%0.772SS**  trans-109.4135162.100000109.5S150S150-A152 PolarHBondContact O-N 2.89Å; S150-A152 VanDerWaalsContact O-N 3.16Å
153P33.8Very low32.8Very low120 Ų120136.8 Ų136.878%0.77977%0.771SS**  trans-75.6142.4-179.131-34.4000111.4S155P153-S155 PolarHBondContact O-N 2.77Å
154P31.8Very low32.2Very low134 Ų134138.5 Ų138.587%0.8778%0.776SS**  trans-79.2112.1-179.730.7-32.8000111.3
155S30.6Very low31.7Very low104 Ų104139.3 Ų139.373%0.72777%0.772SS**  trans-85.6124.8165.459.80000110.9P153P153-S155 PolarHBondContact O-N 2.77Å
156M32.1Very low31.1Very low180 Ų180145 Ų14589%0.88778%0.777SS**  trans32.4104147.7-63.6-70.3-148.900117.5
157L35.4Very low30.6Very low179 Ų179146.7 Ų146.794%0.93778%0.782SS**  trans-120.1135.9149.9-77.8178.4000110.3
158V31.3Very low30.2Very low134 Ų134144.9 Ų144.981%0.81279%0.786SS**  trans-79.7145.4-170.81730000110.5
159K26.7Very low29.8Very low153 Ų153145.9 Ų145.967%0.66579%0.787SS**  trans-74.3128.2175.5-179.2-161.3-169.3-159.10110.1E161K159-E161 HydrophobicContact CD-CG 4.24Å; K159-E161 VanDerWaalsContact CE-OE1 3.24Å; K159-E161 WeakPolarHBondContact CE-OE1 3.26Å; K159-E161 HydrophobicContact CG-CG 4.3Å; K159-E161 IonicContact NZ-OE1 2.81Å; K159-E161 PolarHBondContact NZ-OE1 2.75Å
160D30Very low30.5Very low166 Ų166142.9 Ų142.989%0.88878%0.782SS**  trans-120.7147156.6-94.3-51.2000109.4
161E28.5Very low30.5Very low132 Ų132143.5 Ų143.562%0.61779%0.786SS**  trans-111.7177.4-163.5-61.9-176.3128.500113.2K159K159-E161 HydrophobicContact CD-CG 4.24Å; K159-E161 VanDerWaalsContact CE-OE1 3.24Å; K159-E161 WeakPolarHBondContact CE-OE1 3.26Å; K159-E161 HydrophobicContact CG-CG 4.3Å; K159-E161 IonicContact NZ-OE1 2.81Å; K159-E161 PolarHBondContact NZ-OE1 2.75Å
162Y29.4Very low30.6Very low220 Ų220143.8 Ų143.886%0.86379%0.787SS**  trans76.2135.8157.2-103.2-135.9000115.2
163V28.8Very low31Very low112 Ų112145.2 Ų145.268%0.67979%0.79SS**  cis-149.8147.119.3178.40000111
164H31Very low30.6Very low159 Ų159145.1 Ų145.174%0.73679%0.787SS**  trans1.6156.3134.5-99.7-35.6000118.7
165D28.3Very low30.4Very low115 Ų115148 Ų14862%0.61579%0.788SS**  cis-166.9169.76-145.92.5000111.7
166F26.5Very low30.2Very low189 Ų189146.3 Ų146.383%0.82979%0.788SS**  149.2136.3122.2-134.8-95000114.7
167E28.4Very low30.1Very low179 Ų179146.4 Ų146.484%0.83679%0.786SS**  trans-89.5167.9-172.7-59.7175.890.400114.6
168G27.4Very low29.7Very low81 Ų81143.1 Ų143.184%0.83578%0.778SS**  trans160.778161.300000118.5
169Q27.5Very low29.8Very low191 Ų191144.8 Ų144.889%0.89378%0.78SS**  trans-84.2174.5159.1-102.5-170.6-19.600110.9
170P46.6Very low29.7Very low107 Ų107146.2 Ų146.270%0.69579%0.789SS**  cis-136.4-163.2-27.737.4-18.1000112.8
171S28.1Very low29.6Very low120 Ų120144 Ų14484%0.83978%0.782SS**  trans107.5139.515477.60000120.9
172L30.1Very low30.3Very low165 Ų165144.8 Ų144.886%0.86479%0.789SS**  trans-98.1173.6172.8-78.1155.9000109.1
173P38.5Very low30Very low110 Ų110143.3 Ų143.371%0.71479%0.79SS**  cis-142.8-174.617.635.5-12.5000117.5
174T26.6Very low30.4Very low117 Ų117146.3 Ų146.372%0.71880%0.796SS**  trans109.5117146.4-35.20000118.8
175E26.3Very low30.7Very low194 Ų194144.6 Ų144.691%0.90780%0.799SS**  trans45132.7157-64.9-167158.800123.3
176G27.9Very low31.6Very low70 Ų70144.9 Ų144.972%0.72281%0.807SS**  trans166.552.816900000118.7
177H28.6Very low31.7Very low182 Ų182141.3 Ų141.384%0.84381%0.806SS**  trans35.9108.7154-73.587.8000121.2
178S27.7Very low31.8Very low109 Ų109140.4 Ų140.476%0.76281%0.807SS**  147.8132.5107.7-74.50000117.3
179I32.1Very low31.8Very low170 Ų170148.5 Ų148.587%0.87281%0.812SS**  trans79.2109.3163.5-49.7-160.5000118.8
180Q26.3Very low31.9Very low182 Ų182143.8 Ų143.885%0.8581%0.806SS**  trans-166.2151.4179.8-105.1-173.52.400107.3
181T28.1Very low31.1Very low120 Ų120143.7 Ų143.774%0.73681%0.807SS**  cis-151.4174-10.5-33.80000109
182I41.4Very low31.2Very low149 Ų149144.9 Ų144.976%0.76481%0.81SS**  trans-59.2138.5165-62.7160.3000111.4
183Q24.3Very low31.1Very low189 Ų189145.5 Ų145.588%0.88381%0.809SS**  trans-171.2148144.3-11016424.900115.6
184H36.2Very low30.6Very low174 Ų174146 Ų14681%0.80681%0.809SS**  trans-87.6157.4163.8-63.4-118.5000109.6
185P38.8Very low30.6Very low124 Ų124150.3 Ų150.381%0.80581%0.814SS**  -154.6178.391.938.2-17.8000115.8
186P45.9Very low30.7Very low120 Ų120146.2 Ų146.278%0.77981%0.807SS**  trans-103.2158.7179.438.3-33000114.8
187S30Very low31Very low115 Ų115147.1 Ų147.180%0.80481%0.808SS**  trans-167.4134.4158.9-87.10000115.3
188N29.1Very low31.3Very low160 Ų160144.7 Ų144.786%0.85681%0.808SS**  trans31.3130.3144.3-65.1-19000122.4
189R28Very low31.6Very low251 Ų251143.7 Ų143.795%0.94781%0.806SS**  -164.1150.7100-154.8165179.7160.7-1.3112.4
190A28.8Very low31.7Very low91 Ų91144.1 Ų144.175%0.75281%0.809SS**  trans-110.9156.8176.300000112.4
191S30.4Very low32Very low105 Ų105143.5 Ų143.573%0.73481%0.811SS**  trans-167.4124.7154.250.10000114.6
192T29.8Very low32.2Very low145 Ų145141.9 Ų141.989%0.8981%0.81SS**  trans72.2151.3146.5500000121.3
193E29Very low32.1Very low179 Ų179141.1 Ų141.184%0.83682%0.815SS**  trans-117.8173.8-154.2-58.9172.2103.700114.4
194T27.2Very low32.5Very low119 Ų119137.9 Ų137.973%0.7381%0.813SS**  trans91.6137.614314.80000122.8
195Y27.4Very low32.4Very low208 Ų208138.3 Ų138.382%0.81682%0.815SS**  trans83.4101.5157.6-88.4-91.3000122.4
196S28.2Very low31.9Very low108 Ų108138.4 Ų138.476%0.75582%0.819SS**  87136.2128.2-79.50000123.6
197A33.8Very low31.1Very low90 Ų90140.1 Ų140.174%0.74482%0.821SS**  trans-80.5176165.600000112.1
198P35.4Very low31Very low130 Ų130139.1 Ų139.184%0.84482%0.82SS**  -126.9146.4126.935.1-28.3000113.1
199A33.9Very low31Very low88 Ų88137.7 Ų137.773%0.72782%0.817SS**  trans-87.2160.7168.500000111.2
200L33.3Very low31.1Very low179 Ų179131.7 Ų131.794%0.93781%0.814SS**  trans-108.5146.6162.7-75175.9000110.5
201L32.8Very low31.1Very low170 Ų170133.3 Ų133.389%0.8982%0.815SS**PPolyproline II helixtrans-92.4154.4-157.5-69.9158.6000114.1
202A33Very low31.1Very low85 Ų85134 Ų13470%0.70281%0.814SS**PPolyproline II helixtrans-91.3156.8153.800000110.4
203P38.7Very low31Very low134 Ų134134.2 Ų134.287%0.8781%0.81SS**PPolyproline II helixtrans-76.8152.7168-9.727.6000112.2
204S33.1Very low31.2Very low120 Ų120134.9 Ų134.984%0.83981%0.811SS**  trans-103178-168.255.70000115.3
205E33.6Very low31.8Very low183 Ų183135.4 Ų135.486%0.85582%0.816SS**  trans-74.9174.2-164.2-53.6167.3113.500116.7
206S28.5Very low31.9Very low127 Ų127131.8 Ų131.889%0.88881%0.811SS**  trans-144.4133.8146.8-69.70000110.1
207N29.8Very low32.1Very low155 Ų155133.5 Ų133.583%0.82981%0.81SS**  trans-106.1141.1-168.9-170.619.7000111.1
208A27.9Very low32.5Very low95 Ų95135 Ų13579%0.78581%0.812SS**  trans-156.1123.7168.600000112.9
209T29.3Very low32.3Very low129 Ų129135.1 Ų135.179%0.79181%0.81SS**  trans-88.5134.5172.541.30000112.4
210S28.9Very low32Very low125 Ų125135.3 Ų135.387%0.87481%0.812SS**  trans-150.4152.8154.7-54.10000112.1
211T28.9Very low31.7Very low126 Ų126131.2 Ų131.277%0.77380%0.798SS**  trans-106.9169.8-174.5440000113.5
212T30Very low31.5Very low118 Ų118129.9 Ų129.972%0.72480%0.798SS**  trans98.1139.7151.874.50000121.8
213N27.5Very low31.5Very low150 Ų150131.1 Ų131.180%0.80280%0.801SS**  trans82.6106.6145.7-63.9-12.2000122.6
214F33.8Very low31.2Very low194 Ų194133.1 Ų133.185%0.85180%0.799SS**  trans-50.4152.8138.3-86-85.6000111.4
215P40.5Very low31.6Very low130 Ų130133.2 Ų133.284%0.84480%0.797SS**  -141.7-178.293.137.6-21.2000115.8
216N29.5Very low31.4Very low132 Ų132128 Ų12871%0.70678%0.784SS**  trans-103.4166-164.2-133.3-5.3000112
217I33Very low31.5Very low143 Ų143126.4 Ų126.473%0.73377%0.774SS**  trans74.1154.1148.3-71.4165.4000116.1
218P41.4Very low31.5Very low121 Ų121126.1 Ų126.179%0.78677%0.77SS**  cis-128.817716.6189000120.1
219V31.9Very low31.5Very low134 Ų134129 Ų12981%0.81277%0.772SS**  trans-83.7153173.9168.50000113.4
220A27.6Very low31.3Very low92 Ų92127.4 Ų127.476%0.7677%0.772SS**  trans174.2155.213800000111.9
221S27.2Very low31.1Very low93 Ų93125 Ų12565%0.6577%0.767SS**  cis-176.1177.3-24-95.50000109
222T28.2Very low31.1Very low142 Ų142123.6 Ų123.687%0.87176%0.762SS**  trans80.9135.5170.671.40000116.7
223S32Very low31Very low111 Ų111126.4 Ų126.478%0.77677%0.767SS**  cis-152.5140.51.643.90000113.1
224Q32.7Very low31Very low175 Ų175124.1 Ų124.182%0.81876%0.762SS**  trans-87.5167.7151-69.4-166.2-15.400109.6
225P40.9Very low30.7Very low123 Ų123124.6 Ų124.680%0.79977%0.767SS**  -117.914382.4-3.525.4000112.4
226A30.4Very low30.1Very low72 Ų72121.9 Ų121.960%0.59576%0.763SS**  75141.878.900000112.5
227S30.5Very low29.9Very low95 Ų95123.2 Ų123.266%0.66477%0.77SS**  cis-173.6155.113.5-135.60000112.2
228I28.8Very low29.7Very low148 Ų148122.8 Ų122.876%0.75977%0.768SS**  trans35.2155.8148.153.8162.6000122.5
229L28.3Very low29.1Very low156 Ų156125.6 Ų125.682%0.81777%0.77SS**  cis-158.2-178.98.6-126.4161.3000111.1
230A25.2Very low28.9Very low96 Ų96127 Ų12779%0.79377%0.772SS**  trans-80.7170.4-178.500000115.6
231G25.2Very low28.8Very low75 Ų75126.6 Ų126.677%0.77377%0.769SS**  trans143.394.8144.800000119.9
232S27.8Very low28.9Very low96 Ų96128.3 Ų128.367%0.67178%0.781SS**  trans12.9159.8142.1-161.80000124.4
233H29.4Very low28.7Very low177 Ų177125.1 Ų125.182%0.81978%0.776SS**  trans85.9141.7168.4-53.3-76.7000116.3
234S27.5Very low29.4Very low102 Ų102126.4 Ų126.471%0.71378%0.782SS**  cis-162.5150.64.944.70000113.9
235E27.2Very low29.3Very low203 Ų203126.2 Ų126.295%0.94978%0.781SS**  trans48.8149.7146-61.2-159.1121.800125.8
236G26.4Very low29.2Very low74 Ų74126.3 Ų126.376%0.76378%0.781SS**  trans110.291.8157.900000116.2
237L27.4Very low29.1Very low160 Ų160125.7 Ų125.784%0.83878%0.782SS**  83.1136.574-157.587.9000115.4
238L28.4Very low29Very low134 Ų134129 Ų12970%0.70279%0.787SS**  trans76.2127.9174.1-47.9178.3000115.6
239Q28.6Very low29Very low179 Ų179129.7 Ų129.784%0.83679%0.787SS**  cis73.2103.425.3-159.6178.647.700115.2
240I28Very low29Very low165 Ų165129.5 Ų129.585%0.84678%0.782SS**  trans-152.9147.8161.3-88.9127.1000109.7
241A24.7Very low29.1Very low83 Ų83132 Ų13269%0.68678%0.782SS**  trans-137.9157169.200000111.1
242S28.7Very low29Very low129 Ų129131.5 Ų131.590%0.90278%0.777SS**  trans63.8133.3150.2-56.70000123.4
243G24.9Very low29Very low75 Ų75137 Ų13777%0.77379%0.789SS**  trans121162.7148.500000116.8
244P46.1Very low29.1Very low138 Ų138134.9 Ų134.990%0.89679%0.789SS**  cis-138.5-163.4-7.441.8-21.9000116.5
245Q30Very low29.1Very low171 Ų171133.9 Ų133.980%0.79979%0.794SS**  trans-74.9175.9-169.2-78.7-170.9-33.500118.9
246P40.2Very low29.1Very low124 Ų124133.3 Ų133.381%0.80579%0.792SS**  -100.6-17370.5-15.334.5000115.9
247G27.5Very low29.8Very low60 Ų60135.2 Ų135.262%0.61979%0.791SS**  cis122.9137.5-0.700000113.3
248Q28.3Very low29.6Very low165 Ų165131.4 Ų131.477%0.77178%0.782SS**  cis-159.3165.2-3-67.7-163.329.100112.7
249Q28.9Very low29.5Very low161 Ų161130.3 Ų130.375%0.75278%0.781SS**  trans64.4147.7154.1-72.6175.14300121.3
250Q28.4Very low29.2Very low152 Ų152131.9 Ų131.971%0.7178%0.781SS**  cis-168.8162-20.7-157.4-175.612.100111.3
251N27.6Very low29.1Very low148 Ų148133.4 Ų133.479%0.79178%0.784SS**  trans67.7142.9166.8-63.3-20.8000118.4
252G23.8Very low29.2Very low65 Ų65137.3 Ų137.367%0.6779%0.788SS**  cis146.7144.811.300000110.4
253F27.1Very low29Very low213 Ų213138.2 Ų138.293%0.93478%0.783SS**  trans84.4165.3170.3-77.5-81.1000122.1
254T31.4Very low29Very low131 Ų131138.7 Ų138.780%0.80477%0.774SS**  trans-119.6150.3-142.349.30000115.1
255G27.7Very low28.1Very low81 Ų81137.5 Ų137.584%0.83577%0.765SS**  trans-173130.6164.400000115.1
256Q27.2Very low28Very low192 Ų192135.3 Ų135.390%0.89776%0.763SS**  trans-109.9174.6163-95.8-163.7-1.800108.4
257P40.1Very low27.3Very low114 Ų114134.6 Ų134.674%0.7476%0.756SS**  cis-134.2-154.7-9.530-5.5000113.1
258A24.9Very low27.2Very low80 Ų80143.2 Ų143.266%0.66177%0.77SS**  trans85.9105163.400000117.4
259T24.8Very low27.1Very low111 Ų111141.5 Ų141.568%0.68177%0.771SS**  54.6127.889.363.40000113.7
260Y23.8Very low26.9Very low211 Ų211137.6 Ų137.683%0.82777%0.774SS**  cis-149.4149.342-74.1-101.8000112.7
261H25.3Very low26.8Very low198 Ų198136 Ų13692%0.91778%0.78SS**  trans-145.5123.4147.8-100.2-74.1000110.2
262H25.7Very low26.8Very low165 Ų165141 Ų14176%0.76479%0.788SS**  trans-92.6125.3176176.650000109S264H262-S264 PolarHBondContact CE1-OG 2.77Å; H262-S264 PolarHBondContact NE2-OG 2.81Å
263N25.4Very low27.1Very low147 Ų147144.2 Ų144.279%0.78680%0.795SS**  trans-136.5118.8166.1-160.99.7000108.4T265N263-T265 PolarHBondContact O-N 2.96Å
264S25.7Very low27.1Very low85 Ų85138.7 Ų138.759%0.59479%0.789SS**  trans-88.997.4-171.7-75.40000111.3H262H262-S264 PolarHBondContact CE1-OG 2.77Å; H262-S264 PolarHBondContact NE2-OG 2.81Å
265T27.2Very low27.6Very low114 Ų114137.9 Ų137.970%0.69979%0.786SS**  trans-100.2106.4167.1-51.10000109.7N263 T267N263-T265 PolarHBondContact O-N 2.96Å; T265-T267 PolarHBondContact O-N 3.1Å; T265-T267 VanDerWaalsContact O-N 3.13Å
266T27.3Very low27.7Very low124 Ų124144.9 Ų144.976%0.76179%0.788SS**  trans-75.9101.4178.5-51.70000110.5
267T25Very low27.8Very low109 Ų109142.2 Ų142.267%0.66979%0.785SS**  trans-91.6119.9175.2-51.40000109.7T265 T269T265-T267 PolarHBondContact O-N 3.1Å; T265-T267 VanDerWaalsContact O-N 3.13Å; T267-T269 HydrophobicContact CG2-CG2 4.23Å
268W24.9Very low27.7Very low241 Ų241142.5 Ų142.591%0.91379%0.787SS**  trans-86.5129.7165.9-96.567.3000109.9
269T26.1Very low27.9Very low129 Ų129146.7 Ų146.779%0.79180%0.798SS**  trans-117.2136.2174.152.50000110.3T267T267-T269 HydrophobicContact CG2-CG2 4.23Å
270G25.9Very low28.2Very low79 Ų79148.9 Ų148.981%0.81481%0.805SS**  trans-175.679.8-176.300000111.8
271S26.3Very low28.6Very low120 Ų120143.8 Ų143.884%0.83980%0.798SS**  trans-78134.9-174.3-63.80000113.5
272R27.6Very low29.2Very low253 Ų253141.2 Ų141.296%0.95579%0.786SS**  trans-143.1154.9145.6-75.4-160.3174.6-173-1.3110.4
273T29Very low29.8Very low132 Ų132141.5 Ų141.581%0.8179%0.787SS**  trans-112.6124.1-15446.20000115.4
274A28.1Very low30.6Very low97 Ų97141.7 Ų141.780%0.80278%0.783SS**  trans58.5167.214500000119.9
275P41.9Very low31.7Very low114 Ų114144.9 Ų144.974%0.7479%0.794SS**  cis-131.6159.5-1.239.6-22.5000117.7
276Y29.3Very low33.2Very low227 Ų227140.5 Ų140.589%0.8977%0.772SS**  trans44120.9148.1-86-93.6000123.5
277T29.3Very low35.6Very low137 Ų137136.5 Ų136.584%0.8474%0.744SS**  trans-160.7160.3134.75.40000109.4
278P38.3Very low38.5Very low119 Ų119132.5 Ų132.577%0.77372%0.718SS**  trans-86153.8-147.232.5-37.9000116.9L280P278-L280 PolarHBondContact O-N 3.1Å
279N28.9Very low41.5Very low168 Ų168122.5 Ų122.590%0.89868%0.682SS**  trans-56129.6175.8-78.3-21.7000113.5
280L30.9Very low44.6Very low157 Ų157121.1 Ų121.182%0.82267%0.666SS**  trans-106.5137.1153.7-153.472000107.3P278 H282P278-L280 PolarHBondContact O-N 3.1Å; L280-H282 PolarHBondContact O-N 3.03Å
281P33.3Very low47.5Very low104 Ų104119.2 Ų119.268%0.67564%0.636SS**  trans-68.5100.6-176.426.5-34.4000111.2H283P281-H283 PolarHBondContact O-N 3.47Å
282H37.3Very low49.7Very low145 Ų145117 Ų11767%0.67162%0.619SS**  trans-78100.4176.7-162.673.9000109L280 Q284L280-H282 PolarHBondContact O-N 3.03Å; H282-Q284 PolarHBondContact CD2-NE2 3.35Å; H282-Q284 VanDerWaalsContact CD2-NE2 3.31Å; H282-Q284 PolarHBondContact NE2-NE2 3.17Å; H282-Q284 PolarHBondContact O-N 2.87Å
283H38.5Very low51.7Low171 Ų171108 Ų10879%0.79259%0.594SS**  trans-71.673.6174-81.5-91000110.5P281 N285P281-H283 PolarHBondContact O-N 3.47Å; H283-N285 PolarHBondContact O-N 2.96Å
284Q41.3Very low54Low150 Ų150108.7 Ų108.770%0.70159%0.589SS**THydrogen-bonded Turntrans-74.621.2-165.5-154.2166.645.700115.8H282H282-Q284 PolarHBondContact CD2-NE2 3.35Å; H282-Q284 VanDerWaalsContact CD2-NE2 3.31Å; H282-Q284 PolarHBondContact NE2-NE2 3.17Å; H282-Q284 PolarHBondContact O-N 2.87Å
285N49.2Very low55.8Low152 Ų152108.4 Ų108.481%0.81358%0.579SS**THydrogen-bonded Turntrans-140.410.7-174.9-111.4-8.4000115.1H283H283-N285 PolarHBondContact O-N 2.96Å
286G59Low56.5Low23 Ų23108.9 Ų108.924%0.23758%0.582CS.*  trans-80.1149.6173.300000113.1Q289G286-Q289 PolarHBondContact O-NE2 3.41Å
287H76.6Confident57.1Low40 Ų40105 Ų10519%0.18557%0.572CS.*SBendtrans-73.7-35.1169.9-151.5-88.1000110.2D424 A425 V426 P511 D512H287-D424 PolarHBondContact CD2-O 2.77Å; H287-D424 IonicContact CD2-OD1 3.22Å; H287-D424 PolarHBondContact CE1-O 3.09Å; H287-D424 IonicContact CE1-OD1 3.74Å; H287-D424 PolarHBondContact NE2-O 3.2Å; H287-D424 VanDerWaalsContact NE2-O 3.12Å; H287-D424 IonicContact NE2-OD1 3.4Å; H287-D424 PolarHBondContact NE2-OD1 2.79Å; H287-D424 IonicContact NE2-OD2 3.99Å; H287-A425 VanDerWaalsContact O-CA 3.28Å; H287-A425 WeakPolarHBondContact O-CA 3.44Å; H287-A425 WeakPolarHBondContact O-CB 3.32Å; H287-V426 PolarHBondContact O-N 3.15Å; H287-P511 HydrophobicContact CB-CG 4.07Å; H287-P511 WeakPolarHBondContact ND1-CD 3.43Å; H287-D512 WeakPolarHBondContact CB-OD2 3.38Å; H287-D512 PolarHBondContact N-OD2 3Å
288L86.7Confident57.8Low24 Ų24105 Ų10513%0.12657%0.574CS.*EExtended strand (participates in β ladder)trans-72.5123.9167.9-177.161.8000112.9H290 F408 V426 K428 D512 Y513L288-H290 WeakPolarHBondContact CD2-NE2 3.34Å; L288-F408 HydrophobicContact CD1-CD1 4.4Å; L288-F408 HydrophobicContact CD1-CE1 4.37Å; L288-V426 WeakPolarHBondContact CD1-O 3.37Å; L288-K428 HydrophobicContact CD1-CB 3.79Å; L288-D512 HydrophobicContact CB-CB 4.33Å; L288-D512 WeakPolarHBondContact CB-OD2 3.48Å; L288-D512 PolarHBondContact N-OD2 3.47Å; L288-Y513 HydrophobicContact CD1-CE2 3.91Å; L288-Y513 WeakPolarHBondContact CD1-OH 3.25Å; L288-Y513 HydrophobicContact CD2-CE2 4.11Å; L288-Y513 WeakPolarHBondContact CD2-OH 3.49Å; L288-Y513 HydrophobicContact CG-CE2 4.42Å
289Q88.9Confident57.9Low32 Ų32102.1 Ų102.115%0.1557%0.566CS.*EExtended strand (participates in β ladder)trans-107.4137.2174.7-64.8-61.2-37.600110.9G286 A418 A425 V426 K428G286-Q289 PolarHBondContact O-NE2 3.41Å; Q289-A418 HydrophobicContact CG-CB 4.31Å; Q289-A425 HydrophobicContact CG-CB 4.01Å; Q289-V426 PolarHBondContact N-O 3.28Å; Q289-K428 PolarHBondContact O-N 2.91Å
290H90.3Very high58.2Low100 Ų100101.1 Ų101.146%0.46356%0.556SS.*EExtended strand (participates in β ladder)trans-109.4124.3-170.7-70.4-106.7000112.8L288 P292 Y430L288-H290 WeakPolarHBondContact CD2-NE2 3.34Å; H290-P292 WeakPolarHBondContact O-CD 3.43Å; H290-Y430 HydrophobicContact CB-CE2 4.2Å; H290-Y430 AromaticContact ND1-CE2 3.71Å; H290-Y430 AromaticContact ND1-CZ 3.74Å; H290-Y430 PolarHBondContact ND1-OH 3.19Å
291H87Confident58.3Low39 Ų39104.6 Ų104.618%0.18156%0.559CS.*EExtended strand (participates in β ladder)trans-121.982-177-61.9-85.5000110.6H427 K428 Y430 I435H291-H427 AromaticContact CD2-ND1 3.93Å; H291-H427 AromaticContact CE1-ND1 3.86Å; H291-H427 AromaticContact NE2-CG 3.91Å; H291-H427 AromaticContact NE2-ND1 3.09Å; H291-H427 PolarHBondContact NE2-ND1 3.41Å; H291-K428 PolarHBondContact N-O 2.75Å; H291-Y430 WeakPolarHBondContact O-CD2 3.16Å; H291-Y430 PolarHBondContact O-N 3.43Å; H291-Y430 VanDerWaalsContact O-N 3.08Å; H291-I435 HydrophobicContact CB-CD1 4.09Å; H291-I435 WeakPolarHBondContact ND1-CD1 3.44Å
292P71.9Confident58.2Low72 Ų72109.2 Ų109.247%0.46856%0.564SS.*  trans-70.6160.3176.731.4-35.6000111.8H290 M294H290-P292 WeakPolarHBondContact O-CD 3.43Å; P292-M294 PolarHBondContact O-N 3.46Å; P292-M294 VanDerWaalsContact O-N 3.12Å
293P70.9Confident58.1Low66 Ų66106.3 Ų106.343%0.42956%0.558SS.*  trans-64.5113171.927-34000110.7A433P293-A433 HydrophobicContact CB-CB 4.28Å
294M76Confident58.1Low145 Ų145104.9 Ų104.971%0.71456%0.561SS**  trans-86.5116.3169.6-68.8-74.7-78.100108.4P292P292-M294 PolarHBondContact O-N 3.46Å; P292-M294 VanDerWaalsContact O-N 3.12Å
295P67.2Low57.8Low91 Ų91104.6 Ų104.659%0.59156%0.559SS**  trans-65.9143.917428.3-33.7000109.6H297P295-H297 PolarHBondContact O-N 2.86Å
296P55.5Low57.4Low124 Ų124103 Ų10381%0.80555%0.551SS**  trans-61.5115.5172.325.6-32.5000108.8P298P296-P298 VanDerWaalsContact O-CD 3.28Å; P296-P298 WeakPolarHBondContact O-CD 3.33Å
297H41.6Very low56.6Low146 Ų146108.8 Ų108.868%0.67657%0.571SS**  trans-60.2117.5-176-77.5-72.5000111.3P295 G299P295-H297 PolarHBondContact O-N 2.86Å; H297-G299 VanDerWaalsContact C-N 3.26Å; H297-G299 PolarHBondContact O-N 3.14Å
298P44.1Very low55.4Low137 Ų137113.2 Ų113.289%0.8960%0.596SS**THydrogen-bonded Turntrans-81.772.7177.134.4-33.5000109.3P296P296-P298 VanDerWaalsContact O-CD 3.28Å; P296-P298 WeakPolarHBondContact O-CD 3.33Å
299G40.5Very low53.6Low58 Ų58115.3 Ų115.360%0.59862%0.616SS**THydrogen-bonded Turntrans-172.8-11.5-172.900000119.3H297H297-G299 VanDerWaalsContact C-N 3.26Å; H297-G299 PolarHBondContact O-N 3.14Å
300H35.3Very low51.9Low148 Ų148122.5 Ų122.569%0.68565%0.648SS**  trans-136.698.8171.7-71.3-67000110.9W302H300-W302 PolarHBondContact O-N 2.95Å
301Y33.2Very low50.8Low229 Ų229123 Ų12390%0.89865%0.65SS**  trans-72.970.9164-149.7-85.7000108.1P303Y301-P303 WeakPolarHBondContact O-CD 3.34Å
302W30.4Very low50.4Low202 Ų202125.7 Ų125.777%0.76567%0.671SS**  trans-54.9122.9157.8-67.9110.3000105.8H300 V304H300-W302 PolarHBondContact O-N 2.95Å; W302-V304 VanDerWaalsContact C-N 3.34Å; W302-V304 PolarHBondContact O-N 2.94Å
303P35.4Very low51.1Low84 Ų84125.8 Ų125.855%0.54567%0.672SS.*  trans-61.6109167.726.5-30.8000105.2Y301 H305Y301-P303 WeakPolarHBondContact O-CD 3.34Å; P303-H305 PolarHBondContact O-N 3.3Å
304V38.7Very low51.9Low141 Ų141124.3 Ų124.386%0.85566%0.66SS**  trans-65.283.8163.3-179.60000104.5W302 N306W302-V304 VanDerWaalsContact C-N 3.34Å; W302-V304 PolarHBondContact O-N 2.94Å; V304-N306 PolarHBondContact O-N 2.99Å
305H35.9Very low52.5Low144 Ų144118 Ų11867%0.66763%0.63SS**  trans-56.2139.2171.8-109.774.5000106.5P303 E307P303-H305 PolarHBondContact O-N 3.3Å; H305-E307 HydrophobicContact CB-CG 4Å; H305-E307 PolarHBondContact O-N 3.06Å
306N40.3Very low53.6Low119 Ų119121 Ų12164%0.63664%0.641SS**  trans-74.553.8-177.1-165.835.8000110.4V304 L308 A309V304-N306 PolarHBondContact O-N 2.99Å; N306-L308 PolarHBondContact O-N 3.48Å; N306-A309 WeakPolarHBondContact O-CB 3.47Å; N306-A309 PolarHBondContact O-N 3Å
307E43.1Very low55.2Low143 Ų143120.3 Ų120.367%0.66863%0.627SS**G310 helixtrans-67-18.9-176.7-63-164.513700112.1H305 A309 F310 Q311H305-E307 HydrophobicContact CB-CG 4Å; H305-E307 PolarHBondContact O-N 3.06Å; E307-A309 PolarHBondContact O-N 3.31Å; E307-F310 PolarHBondContact O-N 3.32Å; E307-Q311 PolarHBondContact O-N 3.37Å
308L50.6Low57.6Low134 Ų134117.8 Ų117.870%0.70262%0.623SS**G310 helixtrans-62-20.7170.6-134.378.5000112.8N306 F310N306-L308 PolarHBondContact O-N 3.48Å; L308-F310 VanDerWaalsContact C-N 3.32Å
309A47.8Very low59.8Low68 Ų68115.1 Ų115.156%0.56261%0.613SS**G310 helixtrans-79.5-10.317400000113.9N306 E307N306-A309 WeakPolarHBondContact O-CB 3.47Å; N306-A309 PolarHBondContact O-N 3Å; E307-A309 PolarHBondContact O-N 3.31Å
310F54.9Low62.4Low183 Ų183113.3 Ų113.380%0.80359%0.591SS**THydrogen-bonded Turntrans-112.8-4.5-177.7-71.4-79.2000114.1E307 L308E307-F310 PolarHBondContact O-N 3.32Å; L308-F310 VanDerWaalsContact C-N 3.32Å
311Q65.4Low65.2Low110 Ų110113 Ų11351%0.51459%0.589SS.*SBendtrans-95.6115.6173.4-72.3-89.5-41.300109E307E307-Q311 PolarHBondContact O-N 3.37Å
312P80.5Confident68.3Low95 Ų95104.9 Ų104.962%0.61756%0.558SS**  trans-62153.9173.827.2-34.3000110.6R441P312-R441 PolarHBondContact O-NH1 3.28Å; P312-R441 PolarHBondContact O-NH2 3.22Å
313P85.2Confident71.5Confident75 Ų7596 Ų9649%0.48752%0.524SS..  trans-56.1150.6173.726.9-35.4000110.4S315 E394P313-S315 VanDerWaalsContact C-N 3.29Å; P313-S315 PolarHBondContact O-N 2.94Å; P313-E394 WeakPolarHBondContact CA-OE2 3.27Å
314I88.5Confident74.5Confident34 Ų3492 Ų9217%0.17450%0.498CS..SBendtrans-65.9-36.5-176.2-59.8169000111E394 L440 R441 H444 L535I314-E394 WeakPolarHBondContact CG1-OE2 3.43Å; I314-E394 PolarHBondContact N-OE1 2.9Å; I314-E394 PolarHBondContact N-OE2 3.29Å; I314-L440 HydrophobicContact CD1-CB 4.05Å; I314-L440 HydrophobicContact CD1-CD2 3.59Å; I314-L440 HydrophobicContact CD1-CG 3.58Å; I314-R441 HydrophobicContact CD1-CB 4.35Å; I314-R441 HydrophobicContact CD1-CG 3.56Å; I314-R441 HydrophobicContact CG1-CG 3.88Å; I314-H444 HydrophobicContact CG2-CB 4.11Å; I314-H444 WeakPolarHBondContact CG2-ND1 3.35Å; I314-L535 HydrophobicContact CB-CD1 4.26Å; I314-L535 HydrophobicContact CB-CD2 4.43Å; I314-L535 HydrophobicContact CD1-CD1 4.18Å; I314-L535 HydrophobicContact CG2-CD1 3.83Å; I314-L535 HydrophobicContact CG2-CD2 3.9Å
315S89.4Confident77.3Confident12 Ų1286.1 Ų86.18%0.08446%0.463CS..  trans-142.3147.6174.81750000111P313 H317 R531 L535 E538P313-S315 VanDerWaalsContact C-N 3.29Å; P313-S315 PolarHBondContact O-N 2.94Å; S315-H317 PolarHBondContact O-N 3.22Å; S315-H317 PolarHBondContact OG-N 3.47Å; S315-R531 PolarHBondContact O-NH2 3.02Å; S315-L535 VanDerWaalsContact CB-CD2 3.46Å; S315-E538 WeakPolarHBondContact CB-OE2 3.44Å; S315-E538 PolarHBondContact OG-OE2 3.35Å
316N89.5Confident80.3Confident156 Ų15679.2 Ų79.283%0.83443%0.431SS*.SBendtrans-75.3-3.9174.1-72-14.4000113
317H88.8Confident83.1Confident108 Ų10873.9 Ų73.950%0.540%0.403SS..SBendtrans-59.6137176.9-140.4-83.5000110.8S315 R531S315-H317 PolarHBondContact O-N 3.22Å; S315-H317 PolarHBondContact OG-N 3.47Å; H317-R531 PolarHBondContact O-NH1 2.95Å
318P91.8Very high85.7Confident93 Ų9367 Ų6760%0.60437%0.371SS*.PPolyproline II helixtrans-56.1145.6177.721.6-34.4000112.4Q534P318-Q534 PolarHBondContact O-NE2 3.39Å
319A90.4Very high88Confident82 Ų8261.9 Ų61.968%0.67834%0.343SS*.PPolyproline II helixtrans-57.5144.2174.300000110.6
320P94.8Very high90.5Very high19 Ų1958.8 Ų58.812%0.12332%0.317CS..PPolyproline II helixtrans-70.3156.1-179.232-35.8000111Y322 S343 H530P320-Y322 VanDerWaalsContact C-N 3.28Å; P320-Y322 VanDerWaalsContact CB-O 3.28Å; P320-Y322 WeakPolarHBondContact CB-O 3.38Å; P320-Y322 VanDerWaalsContact CG-O 3.25Å; P320-Y322 WeakPolarHBondContact CG-O 3.4Å; P320-Y322 PolarHBondContact O-N 3.43Å; P320-S343 WeakPolarHBondContact O-CB 3.45Å; P320-S343 PolarHBondContact O-OG 2.87Å; P320-H530 HydrophobicContact CB-CB 3.97Å; P320-H530 HydrophobicContact CG-CB 3.94Å
321E95.4Very high92.5Very high141 Ų14153.3 Ų53.366%0.65930%0.295SS*.SBendtrans-60-39.9175.7-173.7-169.2157.700111.9S343E321-S343 PolarHBondContact O-N 2.88Å; E321-S343 PolarHBondContact O-OG 2.91Å
322Y97.3Very high94Very high60 Ų6053.6 Ų53.624%0.23530%0.3CS..EExtended strand (participates in β ladder)trans-116.1137.4174-54-86.1000108.6P320 K340 V341 P342 H530P320-Y322 VanDerWaalsContact C-N 3.28Å; P320-Y322 VanDerWaalsContact CB-O 3.28Å; P320-Y322 WeakPolarHBondContact CB-O 3.38Å; P320-Y322 VanDerWaalsContact CG-O 3.25Å; P320-Y322 WeakPolarHBondContact CG-O 3.4Å; P320-Y322 PolarHBondContact O-N 3.43Å; Y322-K340 HydrophobicContact CD1-CB 3.39Å; Y322-K340 HydrophobicContact CD1-CD 4.41Å; Y322-K340 HydrophobicContact CD2-CB 4.41Å; Y322-K340 HydrophobicContact CD2-CD 4.06Å; Y322-K340 HydrophobicContact CE1-CB 3.7Å; Y322-K340 HydrophobicContact CE1-CD 4.37Å; Y322-K340 HydrophobicContact CE2-CD 4.03Å; Y322-K340 HydrophobicContact CG-CB 3.82Å; Y322-K340 HydrophobicContact CG-CD 4.29Å; Y322-V341 CarbonylContact C-O 3.52Å; Y322-V341 WeakPolarHBondContact CA-O 3.29Å; Y322-V341 WeakPolarHBondContact CB-O 3.39Å; Y322-P342 HydrophobicContact CD1-CB 4.5Å; Y322-P342 HydrophobicContact CD1-CG 4.26Å; Y322-P342 HydrophobicContact CE1-CG 4.15Å; Y322-H530 WeakPolarHBondContact O-CB 3.49Å; Y322-H530 PolarHBondContact O-ND1 3.05Å
323W97.5Very high94.8Very high16 Ų1651.4 Ų51.46%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-84.3-27.4178.470-94.7000112V341 S343 C345 V348 L389 C391 V397 L529 H530W323-V341 HydrophobicContact CZ2-CG1 4.22Å; W323-V341 PolarHBondContact N-O 2.77Å; W323-S343 PolarHBondContact N-OG 3.28Å; W323-C345 PolarHBondContact NE1-O 2.68Å; W323-V348 HydrophobicContact CH2-CG1 4.36Å; W323-V348 HydrophobicContact CZ2-CG1 3.88Å; W323-L389 HydrophobicContact CH2-CB 3.9Å; W323-C391 HydrophobicContact CD2-CB 3.73Å; W323-C391 HydrophobicContact CE3-CB 3.78Å; W323-C391 HydrophobicContact CG-CB 4.28Å; W323-C391 HydrophobicContact CH2-CB 4.16Å; W323-C391 HydrophobicContact CZ2-CB 4.1Å; W323-C391 HydrophobicContact CZ3-CB 4Å; W323-V397 HydrophobicContact CZ3-CG1 4.34Å; W323-V397 HydrophobicContact CZ3-CG2 4.13Å; W323-L529 HydrophobicContact CE3-CD2 4.47Å; W323-L529 HydrophobicContact CZ3-CD2 4.16Å; W323-H530 PolarHBondContact O-N 3.32Å
324C98.3Very high95.4Very high0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-148.2167169.673.90000113.6V341 I527 H528 L529C324-V341 PolarHBondContact O-N 2.79Å; C324-V341 VanDerWaalsContact SG-CG2 3.53Å; C324-I527 HydrophobicContact CB-CG2 3.84Å; C324-H528 CarbonylContact C-O 3.6Å; C324-H528 WeakPolarHBondContact CA-O 3.48Å; C324-H528 VanDerWaalsContact CB-O 3.23Å; C324-H528 WeakPolarHBondContact CB-O 3.42Å; C324-L529 HydrophobicContact CB-CD2 4.02Å
325S98.5Very high95.8Very high16 Ų1650.7 Ų50.711%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-133.4132.7167.658.60000111.2F339 H528 H530S325-F339 CarbonylContact C-O 3.52Å; S325-F339 VanDerWaalsContact CA-O 3.27Å; S325-F339 WeakPolarHBondContact CA-O 3.46Å; S325-H528 PolarHBondContact N-O 2.96Å; S325-H528 PolarHBondContact O-N 3.3Å; S325-H530 WeakPolarHBondContact CB-NE2 3.34Å; S325-H530 PolarHBondContact N-NE2 3.48Å; S325-H530 PolarHBondContact OG-NE2 3.02Å
326I98.7Very high96.1Very high0 Ų052 Ų520%029%0.289CS..EExtended strand (participates in β ladder)trans-113.4119.2-170-51.6174.5000108.9T338 F339 V341 V348 V350 F362 L389 I525 E526 I527I326-T338 CarbonylContact O-C 3.6Å; I326-F339 HydrophobicContact CB-CB 4.45Å; I326-F339 PolarHBondContact N-O 2.86Å; I326-F339 PolarHBondContact O-N 2.92Å; I326-V341 HydrophobicContact CD1-CG2 4.05Å; I326-V341 HydrophobicContact CG1-CG2 4.45Å; I326-V348 HydrophobicContact CD1-CG1 4.08Å; I326-V348 HydrophobicContact CD1-CG2 4.39Å; I326-V350 HydrophobicContact CD1-CG2 3.78Å; I326-F362 HydrophobicContact CB-CD1 4.37Å; I326-F362 HydrophobicContact CB-CE1 4.45Å; I326-F362 HydrophobicContact CG2-CD1 4.05Å; I326-F362 HydrophobicContact CG2-CE1 4.03Å; I326-L389 HydrophobicContact CD1-CD1 3.9Å; I326-I525 HydrophobicContact CG2-CB 3.89Å; I326-I525 HydrophobicContact CG2-CD1 4.11Å; I326-I525 HydrophobicContact CG2-CG2 3.88Å; I326-E526 CarbonylContact C-O 3.59Å; I326-E526 WeakPolarHBondContact CA-O 3.36Å; I326-I527 HydrophobicContact CG1-CG1 4.26Å; I326-I527 HydrophobicContact CG1-CG2 4.24Å; I326-I527 HydrophobicContact CG2-CG1 4.38Å
327A98.8Very high96.4Very high6 Ų652.8 Ų52.85%0.0529%0.288CS..EExtended strand (participates in β ladder)trans-104.9130.1171.900000109.7F329 T338 I525 E526A327-F329 HydrophobicContact CB-CD2 4.45Å; A327-F329 HydrophobicContact CB-CE2 3.68Å; A327-F329 HydrophobicContact CB-CZ 4.33Å; A327-T338 HydrophobicContact CB-CG2 4.38Å; A327-I525 CarbonylContact O-C 3.55Å; A327-I525 VanDerWaalsContact O-CA 3.27Å; A327-I525 WeakPolarHBondContact O-CA 3.35Å; A327-E526 PolarHBondContact N-O 3.18Å; A327-E526 PolarHBondContact O-N 2.96Å
328Y98.8Very high96.8Very high0 Ų050.6 Ų50.60%028%0.283CS..EExtended strand (participates in β ladder)trans-96.8139.7177.7173-113.1000111.4E330 Q334 V335 L364 L367 R380 C523 W524 I525Y328-E330 HydrophobicContact CE1-CG 3.74Å; Y328-E330 VanDerWaalsContact CE1-OE1 3.25Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.49Å; Y328-E330 WeakPolarHBondContact OH-CG 3.37Å; Y328-E330 PolarHBondContact OH-OE1 3.21Å; Y328-Q334 WeakPolarHBondContact O-CA 3.43Å; Y328-Q334 WeakPolarHBondContact O-CG 3.35Å; Y328-V335 HydrophobicContact CD1-CB 3.71Å; Y328-V335 HydrophobicContact CD1-CG1 3.93Å; Y328-V335 WeakPolarHBondContact CD1-O 3.46Å; Y328-V335 HydrophobicContact CE1-CB 3.85Å; Y328-V335 HydrophobicContact CE1-CG1 3.84Å; Y328-V335 PolarHBondContact O-N 2.91Å; Y328-L364 HydrophobicContact CD1-CD2 4.16Å; Y328-L364 HydrophobicContact CD2-CD1 3.76Å; Y328-L364 HydrophobicContact CD2-CD2 3.83Å; Y328-L364 HydrophobicContact CD2-CG 4.34Å; Y328-L364 HydrophobicContact CE2-CD1 3.8Å; Y328-L364 HydrophobicContact CE2-CD2 4.43Å; Y328-L364 HydrophobicContact CG-CD1 4.46Å; Y328-L364 HydrophobicContact CG-CD2 3.68Å; Y328-L367 HydrophobicContact CD1-CD1 3.61Å; Y328-L367 HydrophobicContact CE1-CD1 4.22Å; Y328-L367 HydrophobicContact CG-CD1 4.34Å; Y328-R380 PolarHBondContact OH-NH1 3.26Å; Y328-C523 HydrophobicContact CE2-CB 3.92Å; Y328-C523 WeakPolarHBondContact OH-CB 3.28Å; Y328-W524 VanDerWaalsContact CD2-O 3.29Å; Y328-W524 WeakPolarHBondContact CD2-O 3.43Å; Y328-I525 HydrophobicContact CD2-CG2 3.9Å; Y328-I525 HydrophobicContact CG-CG2 4.48Å
329F98.8Very high97.1Very high26 Ų2647.8 Ų47.811%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-132.7144.3-176-69.8-95.4000111.5A327 V333 Q334 C523 W524 E526A327-F329 HydrophobicContact CB-CD2 4.45Å; A327-F329 HydrophobicContact CB-CE2 3.68Å; A327-F329 HydrophobicContact CB-CZ 4.33Å; F329-V333 CarbonylContact C-O 3.59Å; F329-V333 VanDerWaalsContact CA-O 3.29Å; F329-V333 WeakPolarHBondContact CA-O 3.15Å; F329-Q334 HydrophobicContact CD1-CB 3.93Å; F329-Q334 HydrophobicContact CE1-CB 3.63Å; F329-Q334 HydrophobicContact CE1-CG 4.27Å; F329-Q334 HydrophobicContact CZ-CB 4.11Å; F329-Q334 HydrophobicContact CZ-CG 4.28Å; F329-C523 WeakPolarHBondContact O-CA 3.47Å; F329-W524 HydrophobicContact CB-CD2 3.85Å; F329-W524 HydrophobicContact CB-CG 4.12Å; F329-W524 HydrophobicContact CB-CH2 4.42Å; F329-W524 HydrophobicContact CB-CZ2 3.66Å; F329-W524 VanDerWaalsContact CB-NE1 3.33Å; F329-W524 HydrophobicContact CD1-CH2 4.31Å; F329-W524 AromaticContact CD1-CZ2 3.83Å; F329-W524 HydrophobicContact CD1-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CD2 4.35Å; F329-W524 HydrophobicContact CD2-CE3 4.27Å; F329-W524 AromaticContact CD2-CH2 3.75Å; F329-W524 HydrophobicContact CD2-CH2 3.75Å; F329-W524 AromaticContact CD2-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CZ3 4Å; F329-W524 HydrophobicContact CE1-CZ2 4.43Å; F329-W524 HydrophobicContact CE2-CH2 4.01Å; F329-W524 HydrophobicContact CE2-CZ2 4.43Å; F329-W524 HydrophobicContact CE2-CZ3 4.36Å; F329-W524 HydrophobicContact CG-CD2 4.33Å; F329-W524 AromaticContact CG-CE2 3.75Å; F329-W524 AromaticContact CG-CH2 3.92Å; F329-W524 HydrophobicContact CG-CH2 3.92Å; F329-W524 AromaticContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ3 4.5Å; F329-W524 HydrophobicContact CZ-CH2 4.42Å; F329-W524 PolarHBondContact N-O 3.29Å; F329-W524 PolarHBondContact O-N 2.94Å; F329-E526 HydrophobicContact CE2-CB 4.01Å
330E98.4Very high97.4Very high2 Ų249.5 Ų49.51%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-120.6114.3167-67.7179.8-178.100107.8Y328 D332 V333 V335 N369 R372 I376 R380 P522Y328-E330 HydrophobicContact CE1-CG 3.74Å; Y328-E330 VanDerWaalsContact CE1-OE1 3.25Å; Y328-E330 WeakPolarHBondContact CE1-OE1 3.49Å; Y328-E330 WeakPolarHBondContact OH-CG 3.37Å; Y328-E330 PolarHBondContact OH-OE1 3.21Å; E330-D332 PolarHBondContact O-N 3.36Å; E330-V333 PolarHBondContact N-O 2.84Å; E330-V333 PolarHBondContact O-N 3.34Å; E330-V333 VanDerWaalsContact O-N 3.09Å; E330-V335 HydrophobicContact CB-CG2 3.91Å; E330-V335 HydrophobicContact CG-CB 4.47Å; E330-V335 HydrophobicContact CG-CG2 3.88Å; E330-N369 WeakPolarHBondContact OE2-CB 3.49Å; E330-N369 PolarHBondContact OE2-ND2 2.87Å; E330-R372 IonicContact OE1-CZ 3.69Å; E330-R372 IonicContact OE1-NE 3.66Å; E330-R372 PolarHBondContact OE1-NE 3.2Å; E330-R372 IonicContact OE1-NH2 3.83Å; E330-R372 PolarHBondContact OE1-NH2 3.11Å; E330-R372 IonicContact OE2-CZ 3.72Å; E330-R372 IonicContact OE2-NE 2.7Å; E330-R372 PolarHBondContact OE2-NE 3.23Å; E330-R372 IonicContact OE2-NH2 3.35Å; E330-R372 PolarHBondContact OE2-NH2 3.2Å; E330-I376 HydrophobicContact CB-CD1 4.31Å; E330-I376 HydrophobicContact CB-CG2 4.14Å; E330-I376 HydrophobicContact CG-CG2 3.85Å; E330-R380 WeakPolarHBondContact OE1-CD 3.21Å; E330-R380 IonicContact OE1-CZ 2.71Å; E330-R380 IonicContact OE1-NE 3.27Å; E330-R380 IonicContact OE1-NH1 3.68Å; E330-R380 PolarHBondContact OE1-NH1 2.84Å; E330-P522 VanDerWaalsContact CA-O 3.31Å; E330-P522 WeakPolarHBondContact CA-O 3.33Å
331M97.1Very high97.6Very high69 Ų6948.6 Ų48.634%0.3425%0.247SC..THydrogen-bonded Turntrans55.5-123.3-165.6-53.5-64.8-65.800111I376 K519 T521 W524M331-I376 HydrophobicContact CG-CD1 3.86Å; M331-I376 HydrophobicContact CG-CG1 4.43Å; M331-K519 CarbonylContact C-O 3.58Å; M331-K519 WeakPolarHBondContact CA-O 3.33Å; M331-T521 WeakPolarHBondContact CA-O 3.2Å; M331-T521 PolarHBondContact N-O 2.78Å; M331-W524 PolarHBondContact O-NE1 3.42Å
332D97.3Very high97.6Very high116 Ų11643.5 Ų43.562%0.6223%0.226SC*.THydrogen-bonded Turntrans-93.92.8177.364.5-37.1000113.8E330 K519E330-D332 PolarHBondContact O-N 3.36Å; D332-K519 HydrophobicContact CB-CB 4.43Å; D332-K519 PolarHBondContact N-O 3.39Å
333V97.4Very high97.5Very high48 Ų4843 Ų4329%0.29123%0.232SC..EExtended strand (participates in β ladder)trans-101.9124.8-175-179.80000110.7F329 E330 V335F329-V333 CarbonylContact C-O 3.59Å; F329-V333 VanDerWaalsContact CA-O 3.29Å; F329-V333 WeakPolarHBondContact CA-O 3.15Å; E330-V333 PolarHBondContact N-O 2.84Å; E330-V333 PolarHBondContact O-N 3.34Å; E330-V333 VanDerWaalsContact O-N 3.09Å; V333-V335 HydrophobicContact CG1-CG2 4.44Å
334Q98.2Very high97.4Very high91 Ų9147 Ų4743%0.42526%0.262SS..EExtended strand (participates in β ladder)trans-68.8133.9168.8-172.6176.7-22.900109.9Y328 F329 T338Y328-Q334 WeakPolarHBondContact O-CA 3.43Å; Y328-Q334 WeakPolarHBondContact O-CG 3.35Å; F329-Q334 HydrophobicContact CD1-CB 3.93Å; F329-Q334 HydrophobicContact CE1-CB 3.63Å; F329-Q334 HydrophobicContact CE1-CG 4.27Å; F329-Q334 HydrophobicContact CZ-CB 4.11Å; F329-Q334 HydrophobicContact CZ-CG 4.28Å; Q334-T338 PolarHBondContact NE2-OG1 2.92Å
335V97.9Very high97.3Very high3 Ų348.5 Ų48.52%0.01827%0.272CS..  trans-124.2120.8-176.31740000109.7Y328 E330 V333 L367 N369Y328-V335 HydrophobicContact CD1-CB 3.71Å; Y328-V335 HydrophobicContact CD1-CG1 3.93Å; Y328-V335 WeakPolarHBondContact CD1-O 3.46Å; Y328-V335 HydrophobicContact CE1-CB 3.85Å; Y328-V335 HydrophobicContact CE1-CG1 3.84Å; Y328-V335 PolarHBondContact O-N 2.91Å; E330-V335 HydrophobicContact CB-CG2 3.91Å; E330-V335 HydrophobicContact CG-CB 4.47Å; E330-V335 HydrophobicContact CG-CG2 3.88Å; V333-V335 HydrophobicContact CG1-CG2 4.44Å; V335-L367 HydrophobicContact CG1-CB 3.94Å; V335-N369 HydrophobicContact CG1-CB 3.96Å; V335-N369 HydrophobicContact CG2-CB 3.76Å
336G95.8Very high97.1Very high39 Ų3951 Ų5140%0.40229%0.288SS..SBendtrans77.6-179.8-173.300000113.5
337E94.7Very high97.1Very high174 Ų17454.3 Ų54.381%0.81331%0.305SS*.  trans-80.7158.9177.5-61-173.7157.400111.5F339E337-F339 PolarHBondContact O-N 3.19Å
338T97.1Very high97.1Very high62 Ų6254 Ų5438%0.3830%0.303SS..  trans-72.1114.5174.7-56.20000109.7I326 A327 Q334I326-T338 CarbonylContact O-C 3.6Å; A327-T338 HydrophobicContact CB-CG2 4.38Å; Q334-T338 PolarHBondContact NE2-OG1 2.92Å
339F97.9Very high97.1Very high33 Ų3355.1 Ų55.115%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-73127.3177.8-168.6-96.6000110.5S325 I326 E337 V341 V348 G359 R361 F362S325-F339 CarbonylContact C-O 3.52Å; S325-F339 VanDerWaalsContact CA-O 3.27Å; S325-F339 WeakPolarHBondContact CA-O 3.46Å; I326-F339 HydrophobicContact CB-CB 4.45Å; I326-F339 PolarHBondContact N-O 2.86Å; I326-F339 PolarHBondContact O-N 2.92Å; E337-F339 PolarHBondContact O-N 3.19Å; F339-V341 HydrophobicContact CD1-CG2 3.9Å; F339-V341 HydrophobicContact CE1-CG2 3.98Å; F339-V348 HydrophobicContact CE1-CG2 3.95Å; F339-G359 WeakPolarHBondContact CZ-O 3.36Å; F339-R361 WeakPolarHBondContact CZ-O 3.44Å; F339-F362 HydrophobicContact CB-CB 4.41Å; F339-F362 HydrophobicContact CB-CD1 3.75Å; F339-F362 HydrophobicContact CB-CD2 3.84Å; F339-F362 HydrophobicContact CB-CE1 3.86Å; F339-F362 HydrophobicContact CB-CE2 3.96Å; F339-F362 HydrophobicContact CB-CG 3.75Å; F339-F362 HydrophobicContact CB-CZ 3.97Å; F339-F362 HydrophobicContact CD1-CB 3.82Å; F339-F362 HydrophobicContact CD1-CD1 4.49Å; F339-F362 HydrophobicContact CD1-CG 4.11Å; F339-F362 HydrophobicContact CD2-CB 3.97Å; F339-F362 AromaticContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CE2 4.23Å; F339-F362 AromaticContact CD2-CG 3.84Å; F339-F362 HydrophobicContact CD2-CG 3.84Å; F339-F362 HydrophobicContact CE1-CB 3.98Å; F339-F362 HydrophobicContact CE2-CB 4.13Å; F339-F362 HydrophobicContact CE2-CD2 4.27Å; F339-F362 HydrophobicContact CE2-CG 4.46Å; F339-F362 HydrophobicContact CG-CB 3.8Å; F339-F362 HydrophobicContact CG-CD1 4.08Å; F339-F362 AromaticContact CG-CD2 3.79Å; F339-F362 HydrophobicContact CG-CD2 3.79Å; F339-F362 HydrophobicContact CG-CE2 4.38Å; F339-F362 AromaticContact CG-CG 3.63Å; F339-F362 HydrophobicContact CG-CG 3.63Å; F339-F362 HydrophobicContact CZ-CB 4.13Å
340K97.5Very high97.1Very high118 Ų11853.9 Ų53.951%0.51330%0.304SS..EExtended strand (participates in β ladder)trans-107133.6177.5-57.2-173.4-179.9-177.30110Y322Y322-K340 HydrophobicContact CD1-CB 3.39Å; Y322-K340 HydrophobicContact CD1-CD 4.41Å; Y322-K340 HydrophobicContact CD2-CB 4.41Å; Y322-K340 HydrophobicContact CD2-CD 4.06Å; Y322-K340 HydrophobicContact CE1-CB 3.7Å; Y322-K340 HydrophobicContact CE1-CD 4.37Å; Y322-K340 HydrophobicContact CE2-CD 4.03Å; Y322-K340 HydrophobicContact CG-CB 3.82Å; Y322-K340 HydrophobicContact CG-CD 4.29Å
341V97.6Very high97.1Very high0 Ų054 Ų540%031%0.305CS..EExtended strand (participates in β ladder)trans-106.3111.3-175.5-1680000109.8Y322 W323 C324 I326 F339 C345 V348Y322-V341 CarbonylContact C-O 3.52Å; Y322-V341 WeakPolarHBondContact CA-O 3.29Å; Y322-V341 WeakPolarHBondContact CB-O 3.39Å; W323-V341 HydrophobicContact CZ2-CG1 4.22Å; W323-V341 PolarHBondContact N-O 2.77Å; C324-V341 PolarHBondContact O-N 2.79Å; C324-V341 VanDerWaalsContact SG-CG2 3.53Å; I326-V341 HydrophobicContact CD1-CG2 4.05Å; I326-V341 HydrophobicContact CG1-CG2 4.45Å; F339-V341 HydrophobicContact CD1-CG2 3.9Å; F339-V341 HydrophobicContact CE1-CG2 3.98Å; V341-C345 HydrophobicContact CG1-CB 4.29Å; V341-V348 HydrophobicContact CG1-CB 3.81Å; V341-V348 HydrophobicContact CG1-CG1 4.29Å; V341-V348 HydrophobicContact CG1-CG2 4.31Å; V341-V348 HydrophobicContact CG2-CB 4.04Å; V341-V348 HydrophobicContact CG2-CG1 4.03Å; V341-V348 HydrophobicContact CG2-CG2 3.92Å
342P96.8Very high97.1Very high34 Ų3451.8 Ų51.822%0.22130%0.3CS..EExtended strand (participates in β ladder)trans-59145.3-177.6-25.134.7000112Y322 S344 C345Y322-P342 HydrophobicContact CD1-CB 4.5Å; Y322-P342 HydrophobicContact CD1-CG 4.26Å; Y322-P342 HydrophobicContact CE1-CG 4.15Å; P342-S344 WeakPolarHBondContact CB-OG 3.39Å; P342-S344 PolarHBondContact O-N 3.27Å; P342-S344 VanDerWaalsContact O-N 3.12Å; P342-C345 WeakPolarHBondContact O-CA 3.49Å; P342-C345 WeakPolarHBondContact O-CB 3.43Å; P342-C345 PolarHBondContact O-N 2.66Å
343S95.3Very high97.1Very high51 Ų5151.6 Ų51.636%0.35729%0.291SS..THydrogen-bonded Turntrans-64.3-14.8177-67.60000113.9P320 E321 W323 C345P320-S343 WeakPolarHBondContact O-CB 3.45Å; P320-S343 PolarHBondContact O-OG 2.87Å; E321-S343 PolarHBondContact O-N 2.88Å; E321-S343 PolarHBondContact O-OG 2.91Å; W323-S343 PolarHBondContact N-OG 3.28Å; S343-C345 VanDerWaalsContact C-N 3.27Å
344S94.9Very high97.1Very high100 Ų10053.9 Ų53.970%0.69931%0.305SS*.THydrogen-bonded Turntrans-72.5-16.4167.758.50000114.1P342 P346P342-S344 WeakPolarHBondContact CB-OG 3.39Å; P342-S344 PolarHBondContact O-N 3.27Å; P342-S344 VanDerWaalsContact O-N 3.12Å; S344-P346 WeakPolarHBondContact O-CD 3.25Å
345C95.3Very high96.9Very high31 Ų3152.2 Ų52.221%0.20930%0.299CS..  trans-11182.1-178.1-60.20000109.4W323 V341 P342 S343 I347 D360W323-C345 PolarHBondContact NE1-O 2.68Å; V341-C345 HydrophobicContact CG1-CB 4.29Å; P342-C345 WeakPolarHBondContact O-CA 3.49Å; P342-C345 WeakPolarHBondContact O-CB 3.43Å; P342-C345 PolarHBondContact O-N 2.66Å; S343-C345 VanDerWaalsContact C-N 3.27Å; C345-I347 PolarHBondContact O-N 3.14Å; C345-D360 HydrophobicContact CB-CB 4.32Å
346P95.7Very high96.5Very high69 Ų6956.7 Ų56.745%0.44833%0.328SS..  trans-68.2-16.2-175.329-36.7000113.1S344 E390 C391S344-P346 WeakPolarHBondContact O-CD 3.25Å; P346-E390 CarbonylContact O-C 3.49Å; P346-E390 WeakPolarHBondContact O-CA 3.11Å; P346-C391 PolarHBondContact O-N 3.41Å
347I97.9Very high95.9Very high68 Ų6859.8 Ų59.835%0.34934%0.344SS..EExtended strand (participates in β ladder)trans-115.8136.4174.7-60.4172.3000108C345 Q388 L389 E390C345-I347 PolarHBondContact O-N 3.14Å; I347-Q388 HydrophobicContact CG2-CB 4.38Å; I347-Q388 HydrophobicContact CG2-CG 4.14Å; I347-L389 WeakPolarHBondContact CA-O 3.17Å; I347-E390 HydrophobicContact CD1-CG 4.43Å; I347-E390 HydrophobicContact CG1-CB 4.14Å; I347-E390 HydrophobicContact CG1-CG 3.9Å
348V98.4Very high95.4Very high0 Ų052.4 Ų52.40%031%0.314CS..EExtended strand (participates in β ladder)trans-127.8136.7167.561.10000110.2W323 I326 F339 V341 D360 Q388 L389W323-V348 HydrophobicContact CH2-CG1 4.36Å; W323-V348 HydrophobicContact CZ2-CG1 3.88Å; I326-V348 HydrophobicContact CD1-CG1 4.08Å; I326-V348 HydrophobicContact CD1-CG2 4.39Å; F339-V348 HydrophobicContact CE1-CG2 3.95Å; V341-V348 HydrophobicContact CG1-CB 3.81Å; V341-V348 HydrophobicContact CG1-CG1 4.29Å; V341-V348 HydrophobicContact CG1-CG2 4.31Å; V341-V348 HydrophobicContact CG2-CB 4.04Å; V341-V348 HydrophobicContact CG2-CG1 4.03Å; V341-V348 HydrophobicContact CG2-CG2 3.92Å; V348-D360 CarbonylContact C-O 3.49Å; V348-D360 VanDerWaalsContact CA-O 3.23Å; V348-D360 WeakPolarHBondContact CA-O 3.43Å; V348-D360 WeakPolarHBondContact CG2-O 3.41Å; V348-Q388 CarbonylContact O-C 3.33Å; V348-Q388 VanDerWaalsContact O-CA 3.32Å; V348-Q388 WeakPolarHBondContact O-CA 3.27Å; V348-L389 HydrophobicContact CG1-CB 3.74Å; V348-L389 HydrophobicContact CG1-CD1 4.06Å; V348-L389 HydrophobicContact CG1-CG 4.17Å; V348-L389 PolarHBondContact N-O 2.91Å; V348-L389 PolarHBondContact O-N 3.36Å
349T98.6Very high94.9Very high24 Ų2451.4 Ų51.415%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-99.5127.5172.5-53.30000109.4D351 D360 R361 F362 V387 Q388 L402T349-D351 HydrophobicContact CG2-CB 4.31Å; T349-D360 PolarHBondContact N-O 3.11Å; T349-R361 CarbonylContact O-C 3.59Å; T349-R361 WeakPolarHBondContact O-CA 2.83Å; T349-F362 PolarHBondContact O-N 3.15Å; T349-V387 CarbonylContact C-O 2.98Å; T349-V387 WeakPolarHBondContact CA-O 3.38Å; T349-Q388 HydrophobicContact CG2-CG 4.2Å; T349-Q388 VanDerWaalsContact OG1-CG 3.3Å; T349-Q388 WeakPolarHBondContact OG1-CG 3.35Å; T349-Q388 PolarHBondContact OG1-NE2 3.39Å; T349-Q388 VanDerWaalsContact OG1-NE2 3.15Å; T349-L402 HydrophobicContact CG2-CD1 4.47Å
350V98.7Very high94.7Very high0 Ų054.3 Ų54.30%033%0.333CS..EExtended strand (participates in β ladder)trans-114.6115.8172.4-1720000108.3I326 F362 L364 G386 V387 F505 I525I326-V350 HydrophobicContact CD1-CG2 3.78Å; V350-F362 WeakPolarHBondContact CA-O 3.24Å; V350-F362 HydrophobicContact CG1-CB 4.45Å; V350-F362 HydrophobicContact CG1-CD1 3.96Å; V350-F362 HydrophobicContact CG2-CB 4.32Å; V350-F362 HydrophobicContact CG2-CD1 4.43Å; V350-L364 HydrophobicContact CG1-CD1 3.84Å; V350-L364 HydrophobicContact CG1-CD2 4.19Å; V350-L364 HydrophobicContact CG1-CG 3.99Å; V350-G386 WeakPolarHBondContact O-CA 3.28Å; V350-V387 HydrophobicContact CB-CG2 4.13Å; V350-V387 PolarHBondContact N-O 2.95Å; V350-V387 PolarHBondContact O-N 2.72Å; V350-F505 HydrophobicContact CG1-CZ 4.13Å; V350-I525 HydrophobicContact CB-CD1 4.46Å; V350-I525 HydrophobicContact CG1-CD1 4.23Å; V350-I525 HydrophobicContact CG2-CD1 4.34Å
351D98.5Very high94.7Very high4 Ų452 Ų522%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-140.3172.4-16873.343.8000114T349 Y353 R361 F362 L364T349-D351 HydrophobicContact CG2-CB 4.31Å; D351-Y353 HydrophobicContact CB-CD2 4.07Å; D351-Y353 WeakPolarHBondContact OD1-CA 3.35Å; D351-Y353 VanDerWaalsContact OD1-CB 3.28Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.15Å; D351-Y353 WeakPolarHBondContact OD1-CD2 3.33Å; D351-Y353 PolarHBondContact OD1-N 2.95Å; D351-R361 IonicContact OD1-NH2 2.89Å; D351-R361 IonicContact OD2-CZ 3.33Å; D351-R361 VanDerWaalsContact OD2-CZ 3.29Å; D351-R361 IonicContact OD2-NE 3.29Å; D351-R361 PolarHBondContact OD2-NE 2.81Å; D351-R361 IonicContact OD2-NH2 3.53Å; D351-R361 PolarHBondContact OD2-NH2 2.96Å; D351-F362 PolarHBondContact N-O 3.23Å; D351-F362 VanDerWaalsContact N-O 3.1Å; D351-L364 VanDerWaalsContact O-CB 3.31Å; D351-L364 WeakPolarHBondContact O-CB 3.27Å; D351-L364 WeakPolarHBondContact O-CG 3.37Å; D351-L364 PolarHBondContact O-N 3.03Å
352G97.9Very high94.7Very high23 Ų2352.7 Ų52.724%0.23732%0.324CS..SBendtrans-896.5-178.900000114.8G365 G384G352-G365 WeakPolarHBondContact O-CA 3.46Å; G352-G384 PolarHBondContact N-O 3.43Å
353Y97.8Very high94.8Very high111 Ų11151.3 Ų51.344%0.43532%0.315SS..SBendtrans-82.1-171.8-179.8-60.3-69.9000111.5D351 R361 C363 G365 K385D351-Y353 HydrophobicContact CB-CD2 4.07Å; D351-Y353 WeakPolarHBondContact OD1-CA 3.35Å; D351-Y353 VanDerWaalsContact OD1-CB 3.28Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.15Å; D351-Y353 WeakPolarHBondContact OD1-CD2 3.33Å; D351-Y353 PolarHBondContact OD1-N 2.95Å; Y353-R361 VanDerWaalsContact CD2-NH2 3.28Å; Y353-C363 WeakPolarHBondContact O-CB 3.46Å; Y353-G365 WeakPolarHBondContact O-CA 3.4Å; Y353-G365 PolarHBondContact O-N 3.27Å; Y353-K385 HydrophobicContact CE2-CG 4.3Å
354V96.6Very high94.9Very high97 Ų9748.9 Ų48.959%0.58830%0.298SS*.  trans-12517.1-163-60.80000114.2P356 Q366V354-P356 WeakPolarHBondContact O-CD 3.42Å; V354-Q366 HydrophobicContact CB-CB 4.19Å; V354-Q366 HydrophobicContact CG1-CB 4.4Å; V354-Q366 PolarHBondContact O-OE1 3.37Å
355D93.1Very high95Very high56 Ų5645.3 Ų45.330%0.29928%0.277SS..  trans-83.6116.3-175.3174.45.7000111.3S357 R361 C363D355-S357 VanDerWaalsContact C-N 3.34Å; D355-S357 PolarHBondContact O-N 3.38Å; D355-S357 WeakPolarHBondContact OD1-CB 3.48Å; D355-S357 PolarHBondContact OD1-N 3.14Å; D355-S357 PolarHBondContact OD1-OG 2.98Å; D355-R361 IonicContact OD2-NH1 3.83Å; D355-R361 PolarHBondContact OD2-NH1 3.01Å; D355-C363 PolarHBondContact N-SG 3.29Å; D355-C363 WeakPolarHBondContact O-CB 3.4Å; D355-C363 PolarHBondContact O-SG 2.78Å
356P89.8Confident94.9Very high97 Ų9748 Ų4863%0.6329%0.286SS*.  trans-81.7-1.9-177.434.8-36.7000115V354 G358 Q366V354-P356 WeakPolarHBondContact O-CD 3.42Å; P356-G358 PolarHBondContact O-N 3.49Å; P356-G358 VanDerWaalsContact O-N 3.1Å; P356-Q366 VanDerWaalsContact CA-NE2 3.26Å
357S83.7Confident95Very high104 Ų10446.1 Ų46.173%0.72727%0.273SS*.  trans-60.1-24.2-170.8-71.30000115.3D355D355-S357 VanDerWaalsContact C-N 3.34Å; D355-S357 PolarHBondContact O-N 3.38Å; D355-S357 WeakPolarHBondContact OD1-CB 3.48Å; D355-S357 PolarHBondContact OD1-N 3.14Å; D355-S357 PolarHBondContact OD1-OG 2.98Å
358G83.4Confident94.9Very high19 Ų1948.1 Ų48.120%0.19629%0.293CS..  trans71.8-142.5173.100000114.1P356 D360 R361P356-G358 PolarHBondContact O-N 3.49Å; P356-G358 VanDerWaalsContact O-N 3.1Å; G358-D360 PolarHBondContact O-N 3.4Å; G358-D360 VanDerWaalsContact O-N 3.11Å; G358-R361 CarbonylContact C-O 3.53Å; G358-R361 VanDerWaalsContact CA-O 3.32Å; G358-R361 WeakPolarHBondContact CA-O 3.35Å; G358-R361 PolarHBondContact O-N 2.72Å
359G88.4Confident94.8Very high40 Ų4049.4 Ų49.441%0.41230%0.299SS..THydrogen-bonded Turntrans70.7-102179.200000113.4F339F339-G359 WeakPolarHBondContact CZ-O 3.36Å
360D92.8Very high94.6Very high94 Ų9454.8 Ų54.850%0.50333%0.332SS..THydrogen-bonded Turntrans-93.65.4176.971.2-28.5000113C345 V348 T349 G358C345-D360 HydrophobicContact CB-CB 4.32Å; V348-D360 CarbonylContact C-O 3.49Å; V348-D360 VanDerWaalsContact CA-O 3.23Å; V348-D360 WeakPolarHBondContact CA-O 3.43Å; V348-D360 WeakPolarHBondContact CG2-O 3.41Å; T349-D360 PolarHBondContact N-O 3.11Å; G358-D360 PolarHBondContact O-N 3.4Å; G358-D360 VanDerWaalsContact O-N 3.11Å
361R97.6Very high94.4Very high70 Ų7060.8 Ų60.826%0.26436%0.36SS..EExtended strand (participates in β ladder)trans-138.1126.3-176.3-167.4178.8-176.6-156.31.5113.5F339 T349 D351 Y353 D355 G358F339-R361 WeakPolarHBondContact CZ-O 3.44Å; T349-R361 CarbonylContact O-C 3.59Å; T349-R361 WeakPolarHBondContact O-CA 2.83Å; D351-R361 IonicContact OD1-NH2 2.89Å; D351-R361 IonicContact OD2-CZ 3.33Å; D351-R361 VanDerWaalsContact OD2-CZ 3.29Å; D351-R361 IonicContact OD2-NE 3.29Å; D351-R361 PolarHBondContact OD2-NE 2.81Å; D351-R361 IonicContact OD2-NH2 3.53Å; D351-R361 PolarHBondContact OD2-NH2 2.96Å; Y353-R361 VanDerWaalsContact CD2-NH2 3.28Å; D355-R361 IonicContact OD2-NH1 3.83Å; D355-R361 PolarHBondContact OD2-NH1 3.01Å; G358-R361 CarbonylContact C-O 3.53Å; G358-R361 VanDerWaalsContact CA-O 3.32Å; G358-R361 WeakPolarHBondContact CA-O 3.35Å; G358-R361 PolarHBondContact O-N 2.72Å
362F97.9Very high94.3Very high15 Ų1563.3 Ų63.37%0.06637%0.369CS..EExtended strand (participates in β ladder)trans-11599.9177.1-175.2-151.4000111.3I326 F339 T349 V350 D351 L364 L367I326-F362 HydrophobicContact CB-CD1 4.37Å; I326-F362 HydrophobicContact CB-CE1 4.45Å; I326-F362 HydrophobicContact CG2-CD1 4.05Å; I326-F362 HydrophobicContact CG2-CE1 4.03Å; F339-F362 HydrophobicContact CB-CB 4.41Å; F339-F362 HydrophobicContact CB-CD1 3.75Å; F339-F362 HydrophobicContact CB-CD2 3.84Å; F339-F362 HydrophobicContact CB-CE1 3.86Å; F339-F362 HydrophobicContact CB-CE2 3.96Å; F339-F362 HydrophobicContact CB-CG 3.75Å; F339-F362 HydrophobicContact CB-CZ 3.97Å; F339-F362 HydrophobicContact CD1-CB 3.82Å; F339-F362 HydrophobicContact CD1-CD1 4.49Å; F339-F362 HydrophobicContact CD1-CG 4.11Å; F339-F362 HydrophobicContact CD2-CB 3.97Å; F339-F362 AromaticContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CD2 3.57Å; F339-F362 HydrophobicContact CD2-CE2 4.23Å; F339-F362 AromaticContact CD2-CG 3.84Å; F339-F362 HydrophobicContact CD2-CG 3.84Å; F339-F362 HydrophobicContact CE1-CB 3.98Å; F339-F362 HydrophobicContact CE2-CB 4.13Å; F339-F362 HydrophobicContact CE2-CD2 4.27Å; F339-F362 HydrophobicContact CE2-CG 4.46Å; F339-F362 HydrophobicContact CG-CB 3.8Å; F339-F362 HydrophobicContact CG-CD1 4.08Å; F339-F362 AromaticContact CG-CD2 3.79Å; F339-F362 HydrophobicContact CG-CD2 3.79Å; F339-F362 HydrophobicContact CG-CE2 4.38Å; F339-F362 AromaticContact CG-CG 3.63Å; F339-F362 HydrophobicContact CG-CG 3.63Å; F339-F362 HydrophobicContact CZ-CB 4.13Å; T349-F362 PolarHBondContact O-N 3.15Å; V350-F362 WeakPolarHBondContact CA-O 3.24Å; V350-F362 HydrophobicContact CG1-CB 4.45Å; V350-F362 HydrophobicContact CG1-CD1 3.96Å; V350-F362 HydrophobicContact CG2-CB 4.32Å; V350-F362 HydrophobicContact CG2-CD1 4.43Å; D351-F362 PolarHBondContact N-O 3.23Å; D351-F362 VanDerWaalsContact N-O 3.1Å; F362-L364 HydrophobicContact CD1-CD2 3.9Å; F362-L364 HydrophobicContact CD2-CD2 4.39Å; F362-L364 HydrophobicContact CE1-CD2 3.57Å; F362-L364 HydrophobicContact CE2-CD2 4.08Å; F362-L364 HydrophobicContact CG-CD2 4.31Å; F362-L364 HydrophobicContact CZ-CD2 3.66Å; F362-L367 HydrophobicContact CE2-CD1 4.24Å; F362-L367 HydrophobicContact CZ-CD1 4.24Å
363C97.9Very high94.3Very high4 Ų465.7 Ų65.73%0.02738%0.379CS..EExtended strand (participates in β ladder)trans-88.8111.9-178.1-69.10000111.9Y353 D355Y353-C363 WeakPolarHBondContact O-CB 3.46Å; D355-C363 PolarHBondContact N-SG 3.29Å; D355-C363 WeakPolarHBondContact O-CB 3.4Å; D355-C363 PolarHBondContact O-SG 2.78Å
364L98Very high94.2Very high0 Ų065.9 Ų65.90%038%0.384CS..  trans-82.4-18.2-175.8-56.6179000113.6Y328 V350 D351 F362 Q366 L367 R380 I383 F505Y328-L364 HydrophobicContact CD1-CD2 4.16Å; Y328-L364 HydrophobicContact CD2-CD1 3.76Å; Y328-L364 HydrophobicContact CD2-CD2 3.83Å; Y328-L364 HydrophobicContact CD2-CG 4.34Å; Y328-L364 HydrophobicContact CE2-CD1 3.8Å; Y328-L364 HydrophobicContact CE2-CD2 4.43Å; Y328-L364 HydrophobicContact CG-CD1 4.46Å; Y328-L364 HydrophobicContact CG-CD2 3.68Å; V350-L364 HydrophobicContact CG1-CD1 3.84Å; V350-L364 HydrophobicContact CG1-CD2 4.19Å; V350-L364 HydrophobicContact CG1-CG 3.99Å; D351-L364 VanDerWaalsContact O-CB 3.31Å; D351-L364 WeakPolarHBondContact O-CB 3.27Å; D351-L364 WeakPolarHBondContact O-CG 3.37Å; D351-L364 PolarHBondContact O-N 3.03Å; F362-L364 HydrophobicContact CD1-CD2 3.9Å; F362-L364 HydrophobicContact CD2-CD2 4.39Å; F362-L364 HydrophobicContact CE1-CD2 3.57Å; F362-L364 HydrophobicContact CE2-CD2 4.08Å; F362-L364 HydrophobicContact CG-CD2 4.31Å; F362-L364 HydrophobicContact CZ-CD2 3.66Å; L364-Q366 PolarHBondContact O-N 2.88Å; L364-L367 HydrophobicContact CD2-CD1 3.95Å; L364-L367 PolarHBondContact O-N 3.05Å; L364-R380 PolarHBondContact O-NH1 3.44Å; L364-R380 PolarHBondContact O-NH2 3.21Å; L364-I383 HydrophobicContact CD1-CD1 4.25Å; L364-F505 HydrophobicContact CD1-CE2 3.87Å; L364-F505 HydrophobicContact CD1-CZ 4.29Å
365G96.6Very high94.2Very high25 Ų2564.2 Ų64.226%0.25838%0.381SS..THydrogen-bonded Turntrans-64.8-37.3-168.200000114.6G352 Y353 R380G352-G365 WeakPolarHBondContact O-CA 3.46Å; Y353-G365 WeakPolarHBondContact O-CA 3.4Å; Y353-G365 PolarHBondContact O-N 3.27Å; G365-R380 VanDerWaalsContact C-NH2 3.29Å; G365-R380 PolarHBondContact O-NH2 2.73Å
366Q94.6Very high94.4Very high87 Ų8761.7 Ų61.741%0.40737%0.367SS..THydrogen-bonded Turntrans-81.3-13.1-179.965.4-176.7-19.300114.5V354 P356 L364 S368V354-Q366 HydrophobicContact CB-CB 4.19Å; V354-Q366 HydrophobicContact CG1-CB 4.4Å; V354-Q366 PolarHBondContact O-OE1 3.37Å; P356-Q366 VanDerWaalsContact CA-NE2 3.26Å; L364-Q366 PolarHBondContact O-N 2.88Å; Q366-S368 PolarHBondContact O-N 3.49Å
367L96.6Very high94.7Very high30 Ų3062 Ų6216%0.15736%0.36CS..  trans-64.5129.9-175.5-59.4178.4000110.5Y328 V335 F362 L364 R372Y328-L367 HydrophobicContact CD1-CD1 3.61Å; Y328-L367 HydrophobicContact CE1-CD1 4.22Å; Y328-L367 HydrophobicContact CG-CD1 4.34Å; V335-L367 HydrophobicContact CG1-CB 3.94Å; F362-L367 HydrophobicContact CE2-CD1 4.24Å; F362-L367 HydrophobicContact CZ-CD1 4.24Å; L364-L367 HydrophobicContact CD2-CD1 3.95Å; L364-L367 PolarHBondContact O-N 3.05Å; L367-R372 VanDerWaalsContact O-CZ 3.27Å; L367-R372 PolarHBondContact O-NH1 2.95Å; L367-R372 PolarHBondContact O-NH2 3.42Å
368S95.2Very high95.3Very high110 Ų11063.5 Ų63.577%0.76935%0.35SS*.  trans-90.9141.1178.8-71.30000111.9Q366Q366-S368 PolarHBondContact O-N 3.49Å
369N96.3Very high95.9Very high27 Ų2762.8 Ų62.814%0.14434%0.342CS..  trans-144.8119.9172.6175.215.1000109.9E330 V335 H371 R372E330-N369 WeakPolarHBondContact OE2-CB 3.49Å; E330-N369 PolarHBondContact OE2-ND2 2.87Å; V335-N369 HydrophobicContact CG1-CB 3.96Å; V335-N369 HydrophobicContact CG2-CB 3.76Å; N369-H371 PolarHBondContact O-N 3.25Å; N369-H371 PolarHBondContact OD1-N 2.96Å; N369-R372 HydrophobicContact CB-CB 4.14Å; N369-R372 VanDerWaalsContact O-CB 3.25Å; N369-R372 WeakPolarHBondContact O-CB 3.26Å; N369-R372 PolarHBondContact O-N 3.4Å
370V95.8Very high96.4Very high137 Ų13762.1 Ų62.183%0.8333%0.327SS*.THydrogen-bonded Turntrans-71.9-13.4179.3-61.50000113.7
371H93.1Very high96.6Very high127 Ų12764.3 Ų64.359%0.58834%0.338SS*.THydrogen-bonded Turntrans-101.89.9175.8-58.3-50.3000112.6N369 T373N369-H371 PolarHBondContact O-N 3.25Å; N369-H371 PolarHBondContact OD1-N 2.96Å; H371-T373 PolarHBondContact O-N 3.43Å
372R97.3Very high96.6Very high56 Ų5664.9 Ų64.921%0.21134%0.344CS..  trans-66.1134177.6-170.6170-68.8150.8-1.2110.4E330 L367 N369 I376 E377E330-R372 IonicContact OE1-CZ 3.69Å; E330-R372 IonicContact OE1-NE 3.66Å; E330-R372 PolarHBondContact OE1-NE 3.2Å; E330-R372 IonicContact OE1-NH2 3.83Å; E330-R372 PolarHBondContact OE1-NH2 3.11Å; E330-R372 IonicContact OE2-CZ 3.72Å; E330-R372 IonicContact OE2-NE 2.7Å; E330-R372 PolarHBondContact OE2-NE 3.23Å; E330-R372 IonicContact OE2-NH2 3.35Å; E330-R372 PolarHBondContact OE2-NH2 3.2Å; L367-R372 VanDerWaalsContact O-CZ 3.27Å; L367-R372 PolarHBondContact O-NH1 2.95Å; L367-R372 PolarHBondContact O-NH2 3.42Å; N369-R372 HydrophobicContact CB-CB 4.14Å; N369-R372 VanDerWaalsContact O-CB 3.25Å; N369-R372 WeakPolarHBondContact O-CB 3.26Å; N369-R372 PolarHBondContact O-N 3.4Å; R372-I376 HydrophobicContact CG-CB 4.05Å; R372-I376 HydrophobicContact CG-CG2 3.87Å; R372-E377 HydrophobicContact CG-CG 3.76Å
373T97.5Very high96.7Very high74 Ų7464.2 Ų64.245%0.45434%0.341SS..  trans-111.4160.2177.865.40000110.2H371 A375 I376 E377H371-T373 PolarHBondContact O-N 3.43Å; T373-A375 PolarHBondContact O-N 2.81Å; T373-A375 VanDerWaalsContact O-N 3.1Å; T373-I376 HydrophobicContact CG2-CD1 4.44Å; T373-I376 WeakPolarHBondContact O-CA 3.1Å; T373-I376 WeakPolarHBondContact O-CB 3.37Å; T373-I376 PolarHBondContact O-N 3.1Å; T373-I376 WeakPolarHBondContact OG1-CD1 3.31Å; T373-I376 WeakPolarHBondContact OG1-CG1 3.49Å; T373-E377 PolarHBondContact O-N 2.99Å
374E96.8Very high96.6Very high114 Ų11465.1 Ų65.153%0.53335%0.351SS..Hα-helixtrans-54.1-31.7176.8-165.8-163.7-159.300112.6R378E374-R378 WeakPolarHBondContact O-CB 3.1Å; E374-R378 WeakPolarHBondContact O-CG 3.47Å; E374-R378 PolarHBondContact O-N 3.4Å; E374-R378 IonicContact OE1-CZ 3.25Å; E374-R378 VanDerWaalsContact OE1-CZ 3.25Å; E374-R378 IonicContact OE1-NH1 3.5Å; E374-R378 PolarHBondContact OE1-NH1 2.97Å; E374-R378 IonicContact OE1-NH2 2.67Å; E374-R378 PolarHBondContact OE1-NH2 3.32Å; E374-R378 IonicContact OE2-CZ 3.46Å; E374-R378 IonicContact OE2-NH1 3.35Å; E374-R378 PolarHBondContact OE2-NH1 3.28Å; E374-R378 IonicContact OE2-NH2 3.49Å; E374-R378 PolarHBondContact OE2-NH2 3.15Å
375A95.2Very high96.6Very high63 Ų6370.2 Ų70.252%0.52137%0.373SS..Hα-helixtrans-67.6-35.2174.900000112.8T373 A379T373-A375 PolarHBondContact O-N 2.81Å; T373-A375 VanDerWaalsContact O-N 3.1Å; A375-A379 PolarHBondContact O-N 2.98Å; A375-A379 VanDerWaalsContact O-N 3.15Å
376I98.1Very high96.7Very high3 Ų369 Ų692%0.01536%0.361CS..Hα-helixtrans-73.7-42.3175.7-63.3162.7000110.1E330 M331 R372 T373 A379 R380 P522E330-I376 HydrophobicContact CB-CD1 4.31Å; E330-I376 HydrophobicContact CB-CG2 4.14Å; E330-I376 HydrophobicContact CG-CG2 3.85Å; M331-I376 HydrophobicContact CG-CD1 3.86Å; M331-I376 HydrophobicContact CG-CG1 4.43Å; R372-I376 HydrophobicContact CG-CB 4.05Å; R372-I376 HydrophobicContact CG-CG2 3.87Å; T373-I376 HydrophobicContact CG2-CD1 4.44Å; T373-I376 WeakPolarHBondContact O-CA 3.1Å; T373-I376 WeakPolarHBondContact O-CB 3.37Å; T373-I376 PolarHBondContact O-N 3.1Å; T373-I376 WeakPolarHBondContact OG1-CD1 3.31Å; T373-I376 WeakPolarHBondContact OG1-CG1 3.49Å; I376-A379 PolarHBondContact O-N 3.13Å; I376-A379 VanDerWaalsContact O-N 3.17Å; I376-R380 HydrophobicContact CG2-CG 4.4Å; I376-R380 WeakPolarHBondContact O-CG 3.36Å; I376-R380 PolarHBondContact O-N 2.86Å; I376-P522 HydrophobicContact CB-CB 4.39Å; I376-P522 HydrophobicContact CG1-CB 3.96Å; I376-P522 WeakPolarHBondContact CG2-O 3.45Å
377E95.8Very high96.9Very high103 Ų10364.9 Ų64.948%0.48134%0.341SS..Hα-helixtrans-59-49.7174.4-66.6179.3148.900111.5R372 T373 A379 R380 L381R372-E377 HydrophobicContact CG-CG 3.76Å; T373-E377 PolarHBondContact O-N 2.99Å; E377-A379 VanDerWaalsContact C-N 3.26Å; E377-A379 PolarHBondContact O-N 3.03Å; E377-R380 PolarHBondContact O-N 3.34Å; E377-R380 VanDerWaalsContact O-N 3.16Å; E377-L381 WeakPolarHBondContact O-CG 3.25Å; E377-L381 PolarHBondContact O-N 3Å
378R96.1Very high97Very high135 Ų13566 Ų6651%0.50935%0.346SS..Hα-helixtrans-56.2-39.1173.9-77.3-177.9178.1116.88112.4E374 H382E374-R378 WeakPolarHBondContact O-CB 3.1Å; E374-R378 WeakPolarHBondContact O-CG 3.47Å; E374-R378 PolarHBondContact O-N 3.4Å; E374-R378 IonicContact OE1-CZ 3.25Å; E374-R378 VanDerWaalsContact OE1-CZ 3.25Å; E374-R378 IonicContact OE1-NH1 3.5Å; E374-R378 PolarHBondContact OE1-NH1 2.97Å; E374-R378 IonicContact OE1-NH2 2.67Å; E374-R378 PolarHBondContact OE1-NH2 3.32Å; E374-R378 IonicContact OE2-CZ 3.46Å; E374-R378 IonicContact OE2-NH1 3.35Å; E374-R378 PolarHBondContact OE2-NH1 3.28Å; E374-R378 IonicContact OE2-NH2 3.49Å; E374-R378 PolarHBondContact OE2-NH2 3.15Å; R378-H382 PolarHBondContact O-CE1 2.74Å; R378-H382 PolarHBondContact O-ND1 3.4Å
379A97.2Very high97.2Very high4 Ų460.8 Ų60.83%0.03331%0.309CS..Hα-helixtrans-68.4-43.9177.100000112.1A375 I376 E377 L381 H382 P522A375-A379 PolarHBondContact O-N 2.98Å; A375-A379 VanDerWaalsContact O-N 3.15Å; I376-A379 PolarHBondContact O-N 3.13Å; I376-A379 VanDerWaalsContact O-N 3.17Å; E377-A379 VanDerWaalsContact C-N 3.26Å; E377-A379 PolarHBondContact O-N 3.03Å; A379-L381 VanDerWaalsContact C-N 3.29Å; A379-L381 PolarHBondContact O-N 3.03Å; A379-H382 PolarHBondContact O-N 2.98Å; A379-P522 HydrophobicContact CB-CB 3.61Å; A379-P522 HydrophobicContact CB-CG 3.36Å
380R98.2Very high97.3Very high26 Ų2661.4 Ų61.410%0.09831%0.311CS..Hα-helixtrans-58.7-36.7-179.8-74.4166.65976.1-3.5113.3Y328 E330 L364 G365 I376 E377 H382 I383 C523Y328-R380 PolarHBondContact OH-NH1 3.26Å; E330-R380 WeakPolarHBondContact OE1-CD 3.21Å; E330-R380 IonicContact OE1-CZ 2.71Å; E330-R380 IonicContact OE1-NE 3.27Å; E330-R380 IonicContact OE1-NH1 3.68Å; E330-R380 PolarHBondContact OE1-NH1 2.84Å; L364-R380 PolarHBondContact O-NH1 3.44Å; L364-R380 PolarHBondContact O-NH2 3.21Å; G365-R380 VanDerWaalsContact C-NH2 3.29Å; G365-R380 PolarHBondContact O-NH2 2.73Å; I376-R380 HydrophobicContact CG2-CG 4.4Å; I376-R380 WeakPolarHBondContact O-CG 3.36Å; I376-R380 PolarHBondContact O-N 2.86Å; E377-R380 PolarHBondContact O-N 3.34Å; E377-R380 VanDerWaalsContact O-N 3.16Å; R380-H382 PolarHBondContact O-N 2.75Å; R380-H382 VanDerWaalsContact O-N 3.13Å; R380-I383 HydrophobicContact CB-CD1 4.3Å; R380-I383 HydrophobicContact CG-CD1 4.13Å; R380-I383 WeakPolarHBondContact O-CB 3.36Å; R380-I383 WeakPolarHBondContact O-CG1 3.22Å; R380-I383 PolarHBondContact O-N 2.85Å; R380-I383 VanDerWaalsContact O-N 3.08Å; R380-C523 HydrophobicContact CG-CB 4.37Å
381L97.4Very high97.3Very high141 Ų14156 Ų5674%0.73828%0.279SS*.THydrogen-bonded Turntrans-55.1-29.4173.9-67.2175000113.3E377 A379E377-L381 WeakPolarHBondContact O-CG 3.25Å; E377-L381 PolarHBondContact O-N 3Å; A379-L381 VanDerWaalsContact C-N 3.29Å; A379-L381 PolarHBondContact O-N 3.03Å
382H97.9Very high97.4Very high82 Ų8253.4 Ų53.438%0.3827%0.266SS..THydrogen-bonded Turntrans-95.91.9-177.3-57.986.4000113.3R378 A379 R380 S403 H405 V506R378-H382 PolarHBondContact O-CE1 2.74Å; R378-H382 PolarHBondContact O-ND1 3.4Å; A379-H382 PolarHBondContact O-N 2.98Å; R380-H382 PolarHBondContact O-N 2.75Å; R380-H382 VanDerWaalsContact O-N 3.13Å; H382-S403 PolarHBondContact O-OG 3.18Å; H382-H405 AromaticContact CD2-CE1 3.46Å; H382-H405 PolarHBondContact CD2-CE1 3.26Å; H382-H405 VanDerWaalsContact CD2-CE1 3.46Å; H382-H405 AromaticContact CD2-NE2 3.45Å; H382-H405 PolarHBondContact CD2-NE2 3.1Å; H382-V506 HydrophobicContact CB-CB 4.48Å; H382-V506 HydrophobicContact CB-CG1 3.95Å; H382-V506 HydrophobicContact CB-CG2 3.62Å
383I98.4Very high97.2Very high1 Ų153.9 Ų53.91%0.00529%0.288CS..THydrogen-bonded Turntrans-64-48.7169.6-61.6172.5000108.7L364 R380 K385 G386 S403 F505 C523L364-I383 HydrophobicContact CD1-CD1 4.25Å; R380-I383 HydrophobicContact CB-CD1 4.3Å; R380-I383 HydrophobicContact CG-CD1 4.13Å; R380-I383 WeakPolarHBondContact O-CB 3.36Å; R380-I383 WeakPolarHBondContact O-CG1 3.22Å; R380-I383 PolarHBondContact O-N 2.85Å; R380-I383 VanDerWaalsContact O-N 3.08Å; I383-K385 PolarHBondContact O-N 2.83Å; I383-G386 WeakPolarHBondContact O-CA 3.49Å; I383-G386 PolarHBondContact O-N 3Å; I383-S403 VanDerWaalsContact O-CB 3.25Å; I383-S403 WeakPolarHBondContact O-CB 3.46Å; I383-S403 PolarHBondContact O-OG 3.29Å; I383-F505 HydrophobicContact CD1-CD2 4.43Å; I383-F505 HydrophobicContact CG1-CB 3.95Å; I383-F505 HydrophobicContact CG1-CG 4.13Å; I383-F505 HydrophobicContact CG2-CD1 4.12Å; I383-F505 HydrophobicContact CG2-CE1 4.28Å; I383-F505 HydrophobicContact CG2-CG 4.42Å; I383-C523 HydrophobicContact CD1-CB 4.4Å
384G97.4Very high96.8Very high23 Ų2353 Ų5324%0.23728%0.279CS..THydrogen-bonded Turntrans55.9-126.3178.700000111.7G352 G386G352-G384 PolarHBondContact N-O 3.43Å; G384-G386 PolarHBondContact O-N 2.97Å
385K97.9Very high96.7Very high106 Ų10648 Ų4846%0.46126%0.258SS..THydrogen-bonded Turntrans-69-7.6175.1-58.7167.6-174.51590114.2Y353 I383 V387 L402Y353-K385 HydrophobicContact CE2-CG 4.3Å; I383-K385 PolarHBondContact O-N 2.83Å; K385-V387 PolarHBondContact O-N 2.74Å; K385-L402 HydrophobicContact CB-CB 3.77Å
386G98.4Very high96.8Very high0 Ų046.9 Ų46.90%024%0.243CC..  trans58.4-121.8173.700000114.2V350 I383 G384 L402 S403V350-G386 WeakPolarHBondContact O-CA 3.28Å; I383-G386 WeakPolarHBondContact O-CA 3.49Å; I383-G386 PolarHBondContact O-N 3Å; G384-G386 PolarHBondContact O-N 2.97Å; G386-L402 CarbonylContact O-C 3.58Å; G386-L402 PolarHBondContact O-N 2.95Å; G386-S403 WeakPolarHBondContact O-CB 3.38Å; G386-S403 PolarHBondContact O-N 3.44Å
387V98.8Very high96.8Very high0 Ų046.8 Ų46.80%024%0.243CC..EExtended strand (participates in β ladder)trans-140.5156.6-174.7-65.10000112T349 V350 K385 V399 R400 V407 M503 F505T349-V387 CarbonylContact C-O 2.98Å; T349-V387 WeakPolarHBondContact CA-O 3.38Å; V350-V387 HydrophobicContact CB-CG2 4.13Å; V350-V387 PolarHBondContact N-O 2.95Å; V350-V387 PolarHBondContact O-N 2.72Å; K385-V387 PolarHBondContact O-N 2.74Å; V387-V399 HydrophobicContact CG1-CG1 4.48Å; V387-R400 VanDerWaalsContact CA-O 3.29Å; V387-R400 WeakPolarHBondContact CA-O 3.43Å; V387-V407 HydrophobicContact CG1-CB 4.5Å; V387-V407 HydrophobicContact CG1-CG1 3.78Å; V387-V407 HydrophobicContact CG1-CG2 4.12Å; V387-M503 HydrophobicContact CB-SD 4.32Å; V387-M503 HydrophobicContact CG1-SD 3.77Å; V387-M503 HydrophobicContact CG2-CE 3.95Å; V387-M503 HydrophobicContact CG2-SD 3.86Å; V387-F505 HydrophobicContact CG1-CE1 4.15Å; V387-F505 HydrophobicContact CG2-CE1 4.02Å; V387-F505 HydrophobicContact CG2-CZ 4.26Å
388Q98.6Very high97Very high53 Ų5345 Ų4525%0.24823%0.232CC..EExtended strand (participates in β ladder)trans-108.1135.8159.8-85.1169.7-17.300110.2I347 V348 T349 V399 R400 L402I347-Q388 HydrophobicContact CG2-CB 4.38Å; I347-Q388 HydrophobicContact CG2-CG 4.14Å; V348-Q388 CarbonylContact O-C 3.33Å; V348-Q388 VanDerWaalsContact O-CA 3.32Å; V348-Q388 WeakPolarHBondContact O-CA 3.27Å; T349-Q388 HydrophobicContact CG2-CG 4.2Å; T349-Q388 VanDerWaalsContact OG1-CG 3.3Å; T349-Q388 WeakPolarHBondContact OG1-CG 3.35Å; T349-Q388 PolarHBondContact OG1-NE2 3.39Å; T349-Q388 VanDerWaalsContact OG1-NE2 3.15Å; Q388-V399 WeakPolarHBondContact O-CA 3.24Å; Q388-R400 HydrophobicContact CB-CB 4.17Å; Q388-R400 PolarHBondContact N-O 3.07Å; Q388-R400 PolarHBondContact O-N 3.27Å; Q388-L402 HydrophobicContact CB-CD1 4.47Å; Q388-L402 HydrophobicContact CG-CD1 3.76Å
389L98.6Very high97.1Very high2 Ų238.7 Ų38.71%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-103.4131.6165.5-50.5175.9000107.8W323 I326 I347 V348 W398 V399 M503 I527W323-L389 HydrophobicContact CH2-CB 3.9Å; I326-L389 HydrophobicContact CD1-CD1 3.9Å; I347-L389 WeakPolarHBondContact CA-O 3.17Å; V348-L389 HydrophobicContact CG1-CB 3.74Å; V348-L389 HydrophobicContact CG1-CD1 4.06Å; V348-L389 HydrophobicContact CG1-CG 4.17Å; V348-L389 PolarHBondContact N-O 2.91Å; V348-L389 PolarHBondContact O-N 3.36Å; L389-W398 WeakPolarHBondContact CA-O 3.42Å; L389-V399 HydrophobicContact CD2-CG2 3.72Å; L389-M503 HydrophobicContact CD2-CE 3.73Å; L389-I527 HydrophobicContact CD1-CG1 3.97Å; L389-I527 HydrophobicContact CD1-CG2 4.32Å
390E98.3Very high97.1Very high39 Ų3943.4 Ų43.418%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-126.7117.5-178.5176.3-179.2179.800109.7P346 I347 K392 V397 W398 Y434P346-E390 CarbonylContact O-C 3.49Å; P346-E390 WeakPolarHBondContact O-CA 3.11Å; I347-E390 HydrophobicContact CD1-CG 4.43Å; I347-E390 HydrophobicContact CG1-CB 4.14Å; I347-E390 HydrophobicContact CG1-CG 3.9Å; E390-K392 HydrophobicContact CG-CG 4.16Å; E390-K392 WeakPolarHBondContact OE1-CE 3.19Å; E390-K392 IonicContact OE1-NZ 3.14Å; E390-V397 WeakPolarHBondContact O-CA 3.36Å; E390-W398 HydrophobicContact CB-CB 4.32Å; E390-W398 PolarHBondContact N-O 2.94Å; E390-W398 PolarHBondContact O-N 3.43Å; E390-Y434 VanDerWaalsContact CD-OH 3.26Å; E390-Y434 PolarHBondContact OE1-OH 2.95Å; E390-Y434 VanDerWaalsContact OE2-CE2 3.26Å; E390-Y434 WeakPolarHBondContact OE2-CE2 3.49Å; E390-Y434 VanDerWaalsContact OE2-CZ 3.27Å; E390-Y434 PolarHBondContact OE2-OH 3.43Å
391C97.6Very high97.1Very high23 Ų2342.1 Ų42.116%0.15522%0.22CC..EExtended strand (participates in β ladder)trans-84.4127.4172.8-1720000109.8W323 P346 D396W323-C391 HydrophobicContact CD2-CB 3.73Å; W323-C391 HydrophobicContact CE3-CB 3.78Å; W323-C391 HydrophobicContact CG-CB 4.28Å; W323-C391 HydrophobicContact CH2-CB 4.16Å; W323-C391 HydrophobicContact CZ2-CB 4.1Å; W323-C391 HydrophobicContact CZ3-CB 4Å; P346-C391 PolarHBondContact O-N 3.41Å; C391-D396 CarbonylContact C-O 3.52Å; C391-D396 WeakPolarHBondContact CA-O 3.2Å
392K94.7Very high97.2Very high74 Ų7438 Ų3832%0.32220%0.198SC..EExtended strand (participates in β ladder)trans-124.1143.6178.5-67.1-166.2-179.8177.50112E390 E394 G395 D396 Y434E390-K392 HydrophobicContact CG-CG 4.16Å; E390-K392 WeakPolarHBondContact OE1-CE 3.19Å; E390-K392 IonicContact OE1-NZ 3.14Å; K392-E394 PolarHBondContact O-N 3.03Å; K392-G395 PolarHBondContact O-N 2.95Å; K392-D396 HydrophobicContact CB-CB 4.47Å; K392-D396 PolarHBondContact N-O 2.73Å; K392-D396 PolarHBondContact O-N 3.3Å; K392-Y434 VanDerWaalsContact CE-OH 3.22Å; K392-Y434 WeakPolarHBondContact CE-OH 3.29Å; K392-Y434 PolarHBondContact NZ-OH 2.88Å
393G91.6Very high97.2Very high65 Ų6534.3 Ų34.367%0.6718%0.182SC*.THydrogen-bonded Turntrans59.6-129.9-179.900000110.9
394E90.2Very high97.2Very high57 Ų5740 Ų4027%0.26621%0.213SC..THydrogen-bonded Turntrans-79.6-19.3-179.2-165.1179.9162.200113.5P313 I314 K392 L440 R441 R531P313-E394 WeakPolarHBondContact CA-OE2 3.27Å; I314-E394 WeakPolarHBondContact CG1-OE2 3.43Å; I314-E394 PolarHBondContact N-OE1 2.9Å; I314-E394 PolarHBondContact N-OE2 3.29Å; K392-E394 PolarHBondContact O-N 3.03Å; E394-L440 HydrophobicContact CB-CD2 3.87Å; E394-L440 HydrophobicContact CG-CD2 3.73Å; E394-R441 IonicContact OE2-NH2 3.58Å; E394-R531 HydrophobicContact CG-CG 4.48Å; E394-R531 IonicContact OE1-CZ 3.16Å; E394-R531 IonicContact OE1-NE 3.21Å; E394-R531 PolarHBondContact OE1-NE 3.03Å; E394-R531 VanDerWaalsContact OE1-NE 3.16Å; E394-R531 IonicContact OE1-NH2 2.72Å; E394-R531 PolarHBondContact OE1-NH2 2.91Å
395G94.1Very high97.2Very high8 Ų842.4 Ų42.48%0.08222%0.217CC..THydrogen-bonded Turntrans161.323.3-178.100000116.3K392 F438K392-G395 PolarHBondContact O-N 2.95Å; G395-F438 VanDerWaalsContact O-CD1 3.31Å; G395-F438 WeakPolarHBondContact O-CD1 3.47Å; G395-F438 WeakPolarHBondContact O-CE1 3.34Å
396D97.4Very high97.2Very high39 Ų3938 Ų3821%0.20920%0.201CC..EExtended strand (participates in β ladder)trans-73.6136.6171.8-77.4-4.8000109.7C391 K392 K436 D439 L440C391-D396 CarbonylContact C-O 3.52Å; C391-D396 WeakPolarHBondContact CA-O 3.2Å; K392-D396 HydrophobicContact CB-CB 4.47Å; K392-D396 PolarHBondContact N-O 2.73Å; K392-D396 PolarHBondContact O-N 3.3Å; D396-K436 VanDerWaalsContact CG-CE 3.49Å; D396-K436 VanDerWaalsContact CG-NZ 3.32Å; D396-K436 IonicContact OD1-NZ 2.85Å; D396-K436 VanDerWaalsContact OD2-CE 3.26Å; D396-K436 WeakPolarHBondContact OD2-CE 3.4Å; D396-K436 IonicContact OD2-NZ 2.71Å; D396-K436 PolarHBondContact OD2-NZ 2.75Å; D396-D439 WeakPolarHBondContact OD1-CA 3.43Å; D396-L440 PolarHBondContact OD1-N 3.02Å
397V98.6Very high97.2Very high1 Ų138.1 Ų38.11%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-114.1130.6-176-169.20000111.3W323 E390 V437 F438 L501 L529W323-V397 HydrophobicContact CZ3-CG1 4.34Å; W323-V397 HydrophobicContact CZ3-CG2 4.13Å; E390-V397 WeakPolarHBondContact O-CA 3.36Å; V397-V437 HydrophobicContact CB-CG2 4.24Å; V397-V437 HydrophobicContact CG1-CG2 4.17Å; V397-V437 PolarHBondContact O-N 2.87Å; V397-F438 HydrophobicContact CB-CB 3.9Å; V397-F438 HydrophobicContact CG2-CB 4.11Å; V397-F438 HydrophobicContact CG2-CD1 4.12Å; V397-F438 HydrophobicContact CG2-CG 4.44Å; V397-F438 PolarHBondContact N-O 3.06Å; V397-F438 VanDerWaalsContact N-O 3.14Å; V397-F438 PolarHBondContact O-N 3.46Å; V397-L501 HydrophobicContact CB-CD1 4.33Å; V397-L501 HydrophobicContact CG1-CD1 4.25Å; V397-L529 HydrophobicContact CG2-CD1 3.88Å; V397-L529 HydrophobicContact CG2-CD2 3.77Å; V397-L529 HydrophobicContact CG2-CG 4.49Å
398W98.6Very high97.2Very high67 Ų6738.6 Ų38.625%0.25420%0.203SC..EExtended strand (participates in β ladder)trans-112.3145.1173-68.169.6000110.3L389 E390 Y434 I435 K436L389-W398 WeakPolarHBondContact CA-O 3.42Å; E390-W398 HydrophobicContact CB-CB 4.32Å; E390-W398 PolarHBondContact N-O 2.94Å; E390-W398 PolarHBondContact O-N 3.43Å; W398-Y434 HydrophobicContact CB-CE2 3.78Å; W398-Y434 HydrophobicContact CD2-CE1 4.28Å; W398-Y434 AromaticContact CE3-CD1 3.94Å; W398-Y434 HydrophobicContact CE3-CD1 3.94Å; W398-Y434 HydrophobicContact CE3-CD2 4.47Å; W398-Y434 AromaticContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE2 4.15Å; W398-Y434 HydrophobicContact CE3-CG 4.41Å; W398-Y434 AromaticContact CE3-CZ 3.67Å; W398-Y434 HydrophobicContact CG-CE2 4.43Å; W398-Y434 HydrophobicContact CZ3-CD1 4.18Å; W398-Y434 AromaticContact CZ3-CE1 3.92Å; W398-Y434 HydrophobicContact CZ3-CE1 3.92Å; W398-I435 CarbonylContact C-O 3.58Å; W398-I435 WeakPolarHBondContact CA-O 3.33Å; W398-K436 HydrophobicContact CD2-CB 3.91Å; W398-K436 HydrophobicContact CD2-CG 4.45Å; W398-K436 HydrophobicContact CE3-CB 4.17Å; W398-K436 HydrophobicContact CH2-CB 4Å; W398-K436 HydrophobicContact CZ2-CB 3.74Å; W398-K436 HydrophobicContact CZ2-CD 4.24Å; W398-K436 HydrophobicContact CZ2-CG 4.22Å; W398-K436 HydrophobicContact CZ3-CB 4.21Å
399V98.6Very high97.2Very high2 Ų236.2 Ų36.21%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-113.4131.1173.7173.30000108.9V387 Q388 L389 I429 Y434 I435 V437V387-V399 HydrophobicContact CG1-CG1 4.48Å; Q388-V399 WeakPolarHBondContact O-CA 3.24Å; L389-V399 HydrophobicContact CD2-CG2 3.72Å; V399-I429 HydrophobicContact CB-CD1 4.08Å; V399-I429 HydrophobicContact CG1-CD1 3.9Å; V399-Y434 WeakPolarHBondContact O-CA 3.35Å; V399-I435 PolarHBondContact N-O 2.97Å; V399-I435 PolarHBondContact O-N 3.25Å; V399-V437 HydrophobicContact CB-CG1 3.84Å; V399-V437 HydrophobicContact CG2-CB 4.18Å; V399-V437 HydrophobicContact CG2-CG1 3.53Å; V399-V437 HydrophobicContact CG2-CG2 3.57Å
400R98.4Very high97.1Very high102 Ų10237.8 Ų37.839%0.38520%0.2SC..EExtended strand (participates in β ladder)trans-110.9123165.5-169.7176.6-66.6-149.31.2109.5V387 Q388 L402 A433 Y434V387-R400 VanDerWaalsContact CA-O 3.29Å; V387-R400 WeakPolarHBondContact CA-O 3.43Å; Q388-R400 HydrophobicContact CB-CB 4.17Å; Q388-R400 PolarHBondContact N-O 3.07Å; Q388-R400 PolarHBondContact O-N 3.27Å; R400-L402 HydrophobicContact CG-CD2 3.93Å; R400-L402 PolarHBondContact O-N 3.49Å; R400-A433 WeakPolarHBondContact CA-O 3.19Å; R400-Y434 HydrophobicContact CB-CD2 3.82Å; R400-Y434 HydrophobicContact CG-CD2 4.28Å
401C98.4Very high97.1Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-83.3108.5173.5-168.40000110.1H405 I429 Y430 S432 A433C401-H405 PolarHBondContact SG-O 2.99Å; C401-H405 VanDerWaalsContact SG-O 3.4Å; C401-I429 HydrophobicContact CB-CG2 4.05Å; C401-Y430 VanDerWaalsContact CB-O 3.26Å; C401-Y430 WeakPolarHBondContact CB-O 3.42Å; C401-S432 VanDerWaalsContact O-CA 3.3Å; C401-S432 WeakPolarHBondContact O-CA 3.48Å; C401-S432 PolarHBondContact O-N 3.22Å; C401-A433 PolarHBondContact N-O 3.36Å
402L98.2Very high96.9Very high54 Ų5436.6 Ų36.628%0.28319%0.191SC..  trans-95.4-21.1178-62.8-177.4000112.7T349 K385 G386 Q388 R400T349-L402 HydrophobicContact CG2-CD1 4.47Å; K385-L402 HydrophobicContact CB-CB 3.77Å; G386-L402 CarbonylContact O-C 3.58Å; G386-L402 PolarHBondContact O-N 2.95Å; Q388-L402 HydrophobicContact CB-CD1 4.47Å; Q388-L402 HydrophobicContact CG-CD1 3.76Å; R400-L402 HydrophobicContact CG-CD2 3.93Å; R400-L402 PolarHBondContact O-N 3.49Å
403S98.1Very high97Very high4 Ų434.7 Ų34.73%0.02818%0.182CC..SBendtrans-64.1148.9174.2-171.80000111.5H382 I383 G386 H405 P431H382-S403 PolarHBondContact O-OG 3.18Å; I383-S403 VanDerWaalsContact O-CB 3.25Å; I383-S403 WeakPolarHBondContact O-CB 3.46Å; I383-S403 PolarHBondContact O-OG 3.29Å; G386-S403 WeakPolarHBondContact O-CB 3.38Å; G386-S403 PolarHBondContact O-N 3.44Å; S403-H405 PolarHBondContact O-N 2.96Å; S403-H405 PolarHBondContact OG-N 3.25Å; S403-H405 VanDerWaalsContact OG-N 3.17Å; S403-P431 WeakPolarHBondContact O-CB 3.42Å
404D97.7Very high97.2Very high122 Ų12232 Ų3265%0.65215%0.152SC*.SBendtrans-70.8-6.5169.3-49.2-65.1000111.9P431D404-P431 VanDerWaalsContact O-CG 3.28Å; D404-P431 WeakPolarHBondContact O-CG 3.29Å
405H98.1Very high97.3Very high72 Ų7229.3 Ų29.333%0.33314%0.14SC..SBendtrans-113144.4177.2-69.766.9000111.8H382 C401 S403 V506H382-H405 AromaticContact CD2-CE1 3.46Å; H382-H405 PolarHBondContact CD2-CE1 3.26Å; H382-H405 VanDerWaalsContact CD2-CE1 3.46Å; H382-H405 AromaticContact CD2-NE2 3.45Å; H382-H405 PolarHBondContact CD2-NE2 3.1Å; C401-H405 PolarHBondContact SG-O 2.99Å; C401-H405 VanDerWaalsContact SG-O 3.4Å; S403-H405 PolarHBondContact O-N 2.96Å; S403-H405 PolarHBondContact OG-N 3.25Å; S403-H405 VanDerWaalsContact OG-N 3.17Å; H405-V506 HydrophobicContact CB-CG2 4.26Å
406A97.9Very high97.1Very high15 Ų1535.5 Ų35.512%0.12416%0.161CC..  trans-63.5147.7174.800000112K428 I429 V506A406-K428 HydrophobicContact CB-CD 4.47Å; A406-K428 HydrophobicContact CB-CG 3.94Å; A406-I429 VanDerWaalsContact CA-O 3.25Å; A406-I429 WeakPolarHBondContact CA-O 3.35Å; A406-I429 WeakPolarHBondContact CB-O 3.44Å; A406-V506 PolarHBondContact O-N 3.45Å
407V98.6Very high96.8Very high1 Ų139.1 Ų39.11%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-109.1154.1170.4-60.20000110.4V387 V409 K428 I429 M503 S504 F505V387-V407 HydrophobicContact CG1-CB 4.5Å; V387-V407 HydrophobicContact CG1-CG1 3.78Å; V387-V407 HydrophobicContact CG1-CG2 4.12Å; V407-V409 HydrophobicContact CG2-CG2 4.45Å; V407-K428 WeakPolarHBondContact O-CA 3.21Å; V407-I429 HydrophobicContact CG2-CB 3.86Å; V407-I429 HydrophobicContact CG2-CD1 4.49Å; V407-I429 HydrophobicContact CG2-CG2 4.44Å; V407-I429 PolarHBondContact N-O 2.85Å; V407-I429 PolarHBondContact O-N 3.15Å; V407-M503 HydrophobicContact CB-CG 4.39Å; V407-M503 HydrophobicContact CB-SD 4.1Å; V407-M503 HydrophobicContact CG1-SD 4.37Å; V407-M503 HydrophobicContact CG2-SD 4.03Å; V407-S504 WeakPolarHBondContact CA-O 3.38Å; V407-F505 HydrophobicContact CG1-CD1 3.81Å; V407-F505 HydrophobicContact CG1-CE1 4.35Å
408F98.6Very high96.3Very high10 Ų1040.9 Ų40.94%0.04419%0.191CC..EExtended strand (participates in β ladder)trans-120.7117.9-173.1-61.8-90.8000108.8L288 V426 H427 K428 M503 S504 K507 G508 W509 Y513L288-F408 HydrophobicContact CD1-CD1 4.4Å; L288-F408 HydrophobicContact CD1-CE1 4.37Å; F408-V426 HydrophobicContact CB-CG1 3.95Å; F408-V426 HydrophobicContact CD1-CG1 4.26Å; F408-H427 WeakPolarHBondContact CA-O 3.48Å; F408-K428 HydrophobicContact CD1-CB 3.96Å; F408-K428 HydrophobicContact CD1-CG 4.1Å; F408-K428 HydrophobicContact CE1-CB 3.84Å; F408-K428 HydrophobicContact CE1-CD 3.76Å; F408-K428 HydrophobicContact CE1-CG 3.57Å; F408-K428 HydrophobicContact CZ-CD 4.16Å; F408-K428 HydrophobicContact CZ-CG 4.05Å; F408-M503 CarbonylContact O-C 3.54Å; F408-M503 VanDerWaalsContact O-CA 3.29Å; F408-M503 WeakPolarHBondContact O-CA 3.44Å; F408-S504 PolarHBondContact N-O 2.86Å; F408-S504 PolarHBondContact O-N 2.84Å; F408-K507 VanDerWaalsContact CD2-C 3.42Å; F408-G508 VanDerWaalsContact CD2-N 3.32Å; F408-G508 VanDerWaalsContact CE2-N 3.28Å; F408-G508 VanDerWaalsContact CG-CA 3.44Å; F408-W509 HydrophobicContact CB-CE3 4.15Å; F408-W509 HydrophobicContact CB-CH2 4.33Å; F408-W509 HydrophobicContact CB-CZ3 3.58Å; F408-W509 WeakPolarHBondContact O-CH2 3.49Å; F408-W509 VanDerWaalsContact O-CZ3 3.29Å; F408-W509 WeakPolarHBondContact O-CZ3 3.5Å; F408-Y513 HydrophobicContact CE1-CE1 4.49Å; F408-Y513 AromaticContact CE1-CZ 3.87Å; F408-Y513 VanDerWaalsContact CE1-OH 3.23Å; F408-Y513 WeakPolarHBondContact CE1-OH 3.21Å
409V98.3Very high95.9Very high3 Ų341.1 Ų41.12%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-115.3135.5-169.2-179.80000111.1V407 H427 I429 R502 M503V407-V409 HydrophobicContact CG2-CG2 4.45Å; V409-H427 HydrophobicContact CB-CB 4.43Å; V409-H427 PolarHBondContact N-O 2.94Å; V409-H427 WeakPolarHBondContact O-CB 3.29Å; V409-H427 PolarHBondContact O-N 2.94Å; V409-I429 HydrophobicContact CB-CD1 4.29Å; V409-I429 HydrophobicContact CG2-CD1 3.52Å; V409-I429 HydrophobicContact CG2-CG1 4.17Å; V409-R502 CarbonylContact C-O 3.48Å; V409-R502 WeakPolarHBondContact CA-O 3.16Å; V409-M503 HydrophobicContact CG2-CB 4.28Å
410Q97.6Very high95.4Very high36 Ų3643.8 Ų43.817%0.16822%0.224CC..EExtended strand (participates in β ladder)trans-95.1121.3162.8-163.6-174.2-25.300107.9R502 W509Q410-R502 HydrophobicContact CB-CB 4.06Å; Q410-R502 PolarHBondContact N-O 2.99Å; Q410-R502 PolarHBondContact O-N 3.43Å; Q410-W509 HydrophobicContact CB-CH2 4.35Å; Q410-W509 HydrophobicContact CB-CZ2 4Å
411S97Very high94.7Very high2 Ų241.4 Ų41.41%0.01423%0.227CC..  trans-153121.3176168.70000111.4Y413 L414 D415 V437S411-Y413 PolarHBondContact O-N 3.29Å; S411-Y413 PolarHBondContact OG-N 3.11Å; S411-L414 PolarHBondContact O-N 3.19Å; S411-L414 VanDerWaalsContact O-N 3.08Å; S411-L414 PolarHBondContact OG-N 2.88Å; S411-D415 VanDerWaalsContact O-CG 3.29Å; S411-D415 PolarHBondContact O-N 2.76Å; S411-V437 WeakPolarHBondContact CB-O 3.33Å; S411-V437 PolarHBondContact OG-O 3.32Å
412Y94.6Very high94Very high35 Ų3545.6 Ų45.614%0.13725%0.254CS..Hα-helixtrans-60.3-29.5173.3-67.9-72.1000113.9D415 R416 P422 R497 L498Y412-D415 WeakPolarHBondContact CA-OD2 3.39Å; Y412-R416 PolarHBondContact O-N 3.15Å; Y412-P422 HydrophobicContact CD1-CB 3.61Å; Y412-P422 HydrophobicContact CE1-CB 3.7Å; Y412-R497 HydrophobicContact CE2-CB 3.77Å; Y412-R497 WeakPolarHBondContact CE2-O 3.39Å; Y412-L498 HydrophobicContact CD1-CD2 4.39Å; Y412-L498 HydrophobicContact CD2-CD2 4.02Å; Y412-L498 HydrophobicContact CG-CD2 3.93Å
413Y96.1Very high93.3Very high34 Ų3444.5 Ų44.513%0.13326%0.256CS..Hα-helixtrans-64.2-52172.1168.1-100.6000109.7S411 D415 R416 E417 K436 D439S411-Y413 PolarHBondContact O-N 3.29Å; S411-Y413 PolarHBondContact OG-N 3.11Å; Y413-D415 PolarHBondContact O-N 3.03Å; Y413-R416 PolarHBondContact O-N 3.45Å; Y413-E417 HydrophobicContact CD1-CG 4.37Å; Y413-E417 HydrophobicContact CD2-CG 4.27Å; Y413-E417 HydrophobicContact CE1-CG 3.88Å; Y413-E417 HydrophobicContact CE2-CG 3.72Å; Y413-E417 VanDerWaalsContact CZ-CG 3.49Å; Y413-E417 WeakPolarHBondContact O-CG 3.31Å; Y413-E417 PolarHBondContact O-N 2.76Å; Y413-E417 PolarHBondContact OH-OE2 3.34Å; Y413-K436 HydrophobicContact CE1-CB 4.12Å; Y413-K436 HydrophobicContact CE1-CD 4.27Å; Y413-K436 HydrophobicContact CE1-CG 4.01Å; Y413-K436 WeakPolarHBondContact CE1-O 3.25Å; Y413-D439 HydrophobicContact CD2-CB 3.65Å; Y413-D439 HydrophobicContact CE2-CB 3.77Å; Y413-D439 HydrophobicContact CG-CB 4.49Å
414L95.3Very high92.7Very high8 Ų847.4 Ų47.44%0.04227%0.271CS..Hα-helixtrans-68.5-34.8-178.8-65.9179000113.2S411 R416 E417 A418 H427 I435 K436 V437S411-L414 PolarHBondContact O-N 3.19Å; S411-L414 VanDerWaalsContact O-N 3.08Å; S411-L414 PolarHBondContact OG-N 2.88Å; L414-R416 VanDerWaalsContact C-N 3.26Å; L414-R416 PolarHBondContact O-N 3.25Å; L414-E417 PolarHBondContact O-N 3.43Å; L414-A418 WeakPolarHBondContact O-CB 3.46Å; L414-A418 PolarHBondContact O-N 3.03Å; L414-H427 WeakPolarHBondContact CB-CE1 3.23Å; L414-H427 WeakPolarHBondContact CB-ND1 3.37Å; L414-H427 HydrophobicContact CD1-CB 3.74Å; L414-H427 PolarHBondContact O-CE1 3.19Å; L414-H427 VanDerWaalsContact O-CE1 3.24Å; L414-I435 HydrophobicContact CD2-CD1 4.12Å; L414-I435 HydrophobicContact CD2-CG1 4.5Å; L414-K436 WeakPolarHBondContact CD2-O 3.36Å; L414-V437 HydrophobicContact CD1-CB 4.37Å; L414-V437 HydrophobicContact CD1-CG1 4.13Å
415D93.4Very high92.4Very high1 Ų141.7 Ų41.71%0.00524%0.241CC..Hα-helixtrans-53.1-49.8172.4-67.6-44000109.5S411 Y412 Y413 A418 G419 R420 G423 A425 H427S411-D415 VanDerWaalsContact O-CG 3.29Å; S411-D415 PolarHBondContact O-N 2.76Å; Y412-D415 WeakPolarHBondContact CA-OD2 3.39Å; Y413-D415 PolarHBondContact O-N 3.03Å; D415-A418 CarbonylContact O-C 3.59Å; D415-A418 PolarHBondContact O-N 2.97Å; D415-G419 PolarHBondContact O-N 3.1Å; D415-R420 HydrophobicContact CB-CB 4.41Å; D415-R420 WeakPolarHBondContact O-CB 3.15Å; D415-R420 PolarHBondContact O-N 3.22Å; D415-G423 WeakPolarHBondContact OD2-CA 3.35Å; D415-G423 PolarHBondContact OD2-N 2.84Å; D415-A425 WeakPolarHBondContact OD1-CB 3.47Å; D415-A425 PolarHBondContact OD1-N 3.49Å; D415-H427 PolarHBondContact N-NE2 2.71Å; D415-H427 IonicContact OD1-NE2 2.98Å; D415-H427 PolarHBondContact OD1-NE2 2.72Å
416R90.8Very high92.3Very high137 Ų13738.4 Ų38.452%0.51723%0.226SC..Hα-helixtrans-66.2-44.8-179.6174.9176.4168.6165.74.4112.9Y412 Y413 L414 A418 G419Y412-R416 PolarHBondContact O-N 3.15Å; Y413-R416 PolarHBondContact O-N 3.45Å; L414-R416 VanDerWaalsContact C-N 3.26Å; L414-R416 PolarHBondContact O-N 3.25Å; R416-A418 PolarHBondContact O-N 3.18Å; R416-G419 PolarHBondContact O-N 2.83Å
417E90.7Very high92.3Very high115 Ų11537.7 Ų37.754%0.53722%0.22SC..Hα-helixtrans-63.5-27.2177-60.4-63.1103.600111.8Y413 L414 Q442Y413-E417 HydrophobicContact CD1-CG 4.37Å; Y413-E417 HydrophobicContact CD2-CG 4.27Å; Y413-E417 HydrophobicContact CE1-CG 3.88Å; Y413-E417 HydrophobicContact CE2-CG 3.72Å; Y413-E417 VanDerWaalsContact CZ-CG 3.49Å; Y413-E417 WeakPolarHBondContact O-CG 3.31Å; Y413-E417 PolarHBondContact O-N 2.76Å; Y413-E417 PolarHBondContact OH-OE2 3.34Å; L414-E417 PolarHBondContact O-N 3.43Å; E417-Q442 PolarHBondContact OE1-NE2 3Å
418A87.7Confident92.2Very high39 Ų3939.7 Ų39.732%0.32223%0.228SC..THydrogen-bonded Turntrans-85.80.4172.800000114.2Q289 L414 D415 R416 R420Q289-A418 HydrophobicContact CG-CB 4.31Å; L414-A418 WeakPolarHBondContact O-CB 3.46Å; L414-A418 PolarHBondContact O-N 3.03Å; D415-A418 CarbonylContact O-C 3.59Å; D415-A418 PolarHBondContact O-N 2.97Å; R416-A418 PolarHBondContact O-N 3.18Å; A418-R420 VanDerWaalsContact C-N 3.27Å; A418-R420 HydrophobicContact CB-CG 3.95Å; A418-R420 PolarHBondContact O-N 2.73Å
419G89Confident92.2Very high72 Ų7239.2 Ų39.274%0.74223%0.226SC*.THydrogen-bonded Turntrans67.722-176.900000114.6D415 R416D415-G419 PolarHBondContact O-N 3.1Å; R416-G419 PolarHBondContact O-N 2.83Å
420R89.5Confident92.2Very high57 Ų5742.4 Ų42.422%0.21524%0.238CC..PPolyproline II helixtrans-92.3162.8-179.4-60.8-71.6-64.9164.65.6111.3D415 A418 D424 A425D415-R420 HydrophobicContact CB-CB 4.41Å; D415-R420 WeakPolarHBondContact O-CB 3.15Å; D415-R420 PolarHBondContact O-N 3.22Å; A418-R420 VanDerWaalsContact C-N 3.27Å; A418-R420 HydrophobicContact CB-CG 3.95Å; A418-R420 PolarHBondContact O-N 2.73Å; R420-D424 IonicContact CZ-OD2 3.23Å; R420-D424 PolarHBondContact NE-O 2.75Å; R420-D424 PolarHBondContact NH2-O 3.13Å; R420-D424 IonicContact NH2-OD2 2.75Å; R420-D424 PolarHBondContact NH2-OD2 3.16Å; R420-A425 HydrophobicContact CB-CB 4.27Å; R420-A425 HydrophobicContact CG-CB 4.05Å
421A83.1Confident92.2Very high53 Ų5342.6 Ų42.644%0.43824%0.243SC..PPolyproline II helixtrans-70.9147.8172.200000110.8G423 D424A421-G423 PolarHBondContact O-N 3.1Å; A421-G423 VanDerWaalsContact O-N 3.15Å; A421-D424 HydrophobicContact CB-CB 3.87Å; A421-D424 WeakPolarHBondContact O-CB 3.41Å; A421-D424 PolarHBondContact O-N 2.8Å
422P84.2Confident92.1Very high88 Ų8847.1 Ų47.157%0.57128%0.275SS*.THydrogen-bonded Turntrans-53.5116.4179.6-30.337.9000113.5Y412 D424Y412-P422 HydrophobicContact CD1-CB 3.61Å; Y412-P422 HydrophobicContact CE1-CB 3.7Å; P422-D424 VanDerWaalsContact C-N 3.33Å
423G84.3Confident92.2Very high31 Ų3145.6 Ų45.632%0.3227%0.269SS..THydrogen-bonded Turntrans79.46.7-178.600000115.5D415 A421D415-G423 WeakPolarHBondContact OD2-CA 3.35Å; D415-G423 PolarHBondContact OD2-N 2.84Å; A421-G423 PolarHBondContact O-N 3.1Å; A421-G423 VanDerWaalsContact O-N 3.15Å
424D85Confident92.2Very high65 Ų6547.7 Ų47.735%0.34828%0.277SS..  trans-100.228-178.8-165.853.8000113.1H287 R420 A421 P422H287-D424 PolarHBondContact CD2-O 2.77Å; H287-D424 IonicContact CD2-OD1 3.22Å; H287-D424 PolarHBondContact CE1-O 3.09Å; H287-D424 IonicContact CE1-OD1 3.74Å; H287-D424 PolarHBondContact NE2-O 3.2Å; H287-D424 VanDerWaalsContact NE2-O 3.12Å; H287-D424 IonicContact NE2-OD1 3.4Å; H287-D424 PolarHBondContact NE2-OD1 2.79Å; H287-D424 IonicContact NE2-OD2 3.99Å; R420-D424 IonicContact CZ-OD2 3.23Å; R420-D424 PolarHBondContact NE-O 2.75Å; R420-D424 PolarHBondContact NH2-O 3.13Å; R420-D424 IonicContact NH2-OD2 2.75Å; R420-D424 PolarHBondContact NH2-OD2 3.16Å; A421-D424 HydrophobicContact CB-CB 3.87Å; A421-D424 WeakPolarHBondContact O-CB 3.41Å; A421-D424 PolarHBondContact O-N 2.8Å; P422-D424 VanDerWaalsContact C-N 3.33Å
425A89.9Confident92.3Very high2 Ų248.9 Ų48.92%0.01728%0.284CS..  trans-148.3162.6168.800000113H287 Q289 D415 R420H287-A425 VanDerWaalsContact O-CA 3.28Å; H287-A425 WeakPolarHBondContact O-CA 3.44Å; H287-A425 WeakPolarHBondContact O-CB 3.32Å; Q289-A425 HydrophobicContact CG-CB 4.01Å; D415-A425 WeakPolarHBondContact OD1-CB 3.47Å; D415-A425 PolarHBondContact OD1-N 3.49Å; R420-A425 HydrophobicContact CB-CB 4.27Å; R420-A425 HydrophobicContact CG-CB 4.05Å
426V96.6Very high92.6Very high3 Ų350.3 Ų50.32%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-125.4122.5171.6179.60000109H287 L288 Q289 F408 W509H287-V426 PolarHBondContact O-N 3.15Å; L288-V426 WeakPolarHBondContact CD1-O 3.37Å; Q289-V426 PolarHBondContact N-O 3.28Å; F408-V426 HydrophobicContact CB-CG1 3.95Å; F408-V426 HydrophobicContact CD1-CG1 4.26Å; V426-W509 HydrophobicContact CB-CZ2 4.43Å; V426-W509 HydrophobicContact CG1-CD2 4.26Å; V426-W509 HydrophobicContact CG1-CE3 4.21Å; V426-W509 HydrophobicContact CG1-CH2 3.89Å; V426-W509 HydrophobicContact CG1-CZ2 3.91Å; V426-W509 HydrophobicContact CG1-CZ3 4.05Å; V426-W509 HydrophobicContact CG2-CD2 4.17Å; V426-W509 HydrophobicContact CG2-CG 4.47Å; V426-W509 HydrophobicContact CG2-CZ2 3.75Å; V426-W509 WeakPolarHBondContact CG2-O 3.49Å
427H97.3Very high92.9Very high0 Ų043.8 Ų43.80%027%0.265CS..EExtended strand (participates in β ladder)trans-98.4105.9-170.9-65.4-99.5000110.6H291 F408 V409 L414 D415 I429H291-H427 AromaticContact CD2-ND1 3.93Å; H291-H427 AromaticContact CE1-ND1 3.86Å; H291-H427 AromaticContact NE2-CG 3.91Å; H291-H427 AromaticContact NE2-ND1 3.09Å; H291-H427 PolarHBondContact NE2-ND1 3.41Å; F408-H427 WeakPolarHBondContact CA-O 3.48Å; V409-H427 HydrophobicContact CB-CB 4.43Å; V409-H427 PolarHBondContact N-O 2.94Å; V409-H427 WeakPolarHBondContact O-CB 3.29Å; V409-H427 PolarHBondContact O-N 2.94Å; L414-H427 WeakPolarHBondContact CB-CE1 3.23Å; L414-H427 WeakPolarHBondContact CB-ND1 3.37Å; L414-H427 HydrophobicContact CD1-CB 3.74Å; L414-H427 PolarHBondContact O-CE1 3.19Å; L414-H427 VanDerWaalsContact O-CE1 3.24Å; D415-H427 PolarHBondContact N-NE2 2.71Å; D415-H427 IonicContact OD1-NE2 2.98Å; D415-H427 PolarHBondContact OD1-NE2 2.72Å; H427-I429 PolarHBondContact O-N 3.13Å
428K98.1Very high93.3Very high42 Ų4238.7 Ų38.718%0.18324%0.241CC..EExtended strand (participates in β ladder)trans-81.4105176.7-177.4-177.3-178-173.40110.5L288 Q289 H291 A406 V407 F408 Y430L288-K428 HydrophobicContact CD1-CB 3.79Å; Q289-K428 PolarHBondContact O-N 2.91Å; H291-K428 PolarHBondContact N-O 2.75Å; A406-K428 HydrophobicContact CB-CD 4.47Å; A406-K428 HydrophobicContact CB-CG 3.94Å; V407-K428 WeakPolarHBondContact O-CA 3.21Å; F408-K428 HydrophobicContact CD1-CB 3.96Å; F408-K428 HydrophobicContact CD1-CG 4.1Å; F408-K428 HydrophobicContact CE1-CB 3.84Å; F408-K428 HydrophobicContact CE1-CD 3.76Å; F408-K428 HydrophobicContact CE1-CG 3.57Å; F408-K428 HydrophobicContact CZ-CD 4.16Å; F408-K428 HydrophobicContact CZ-CG 4.05Å; K428-Y430 HydrophobicContact CD-CD2 4.48Å; K428-Y430 HydrophobicContact CD-CE2 3.73Å; K428-Y430 HydrophobicContact CG-CD2 4.23Å; K428-Y430 HydrophobicContact CG-CE2 3.91Å; K428-Y430 PolarHBondContact NZ-OH 3.41Å
429I97.8Very high93.7Very high0 Ų038.2 Ų38.20%023%0.233CC..EExtended strand (participates in β ladder)trans-88.9120.1173.8-55.4179.1000108.1V399 C401 A406 V407 V409 H427 A433 I435 V437V399-I429 HydrophobicContact CB-CD1 4.08Å; V399-I429 HydrophobicContact CG1-CD1 3.9Å; C401-I429 HydrophobicContact CB-CG2 4.05Å; A406-I429 VanDerWaalsContact CA-O 3.25Å; A406-I429 WeakPolarHBondContact CA-O 3.35Å; A406-I429 WeakPolarHBondContact CB-O 3.44Å; V407-I429 HydrophobicContact CG2-CB 3.86Å; V407-I429 HydrophobicContact CG2-CD1 4.49Å; V407-I429 HydrophobicContact CG2-CG2 4.44Å; V407-I429 PolarHBondContact N-O 2.85Å; V407-I429 PolarHBondContact O-N 3.15Å; V409-I429 HydrophobicContact CB-CD1 4.29Å; V409-I429 HydrophobicContact CG2-CD1 3.52Å; V409-I429 HydrophobicContact CG2-CG1 4.17Å; H427-I429 PolarHBondContact O-N 3.13Å; I429-A433 HydrophobicContact CG2-CB 3.82Å; I429-I435 HydrophobicContact CD1-CG2 3.68Å; I429-I435 HydrophobicContact CG1-CG2 4.11Å; I429-I435 HydrophobicContact CG2-CG2 4.22Å; I429-V437 HydrophobicContact CD1-CG1 4.09Å
430Y97.9Very high94.1Very high70 Ų7035 Ų3528%0.27520%0.199SC..PPolyproline II helixtrans-79.1158.9-177.3-79.8-110.2000112.1H290 H291 C401 K428 S432 A433H290-Y430 HydrophobicContact CB-CE2 4.2Å; H290-Y430 AromaticContact ND1-CE2 3.71Å; H290-Y430 AromaticContact ND1-CZ 3.74Å; H290-Y430 PolarHBondContact ND1-OH 3.19Å; H291-Y430 WeakPolarHBondContact O-CD2 3.16Å; H291-Y430 PolarHBondContact O-N 3.43Å; H291-Y430 VanDerWaalsContact O-N 3.08Å; C401-Y430 VanDerWaalsContact CB-O 3.26Å; C401-Y430 WeakPolarHBondContact CB-O 3.42Å; K428-Y430 HydrophobicContact CD-CD2 4.48Å; K428-Y430 HydrophobicContact CD-CE2 3.73Å; K428-Y430 HydrophobicContact CG-CD2 4.23Å; K428-Y430 HydrophobicContact CG-CE2 3.91Å; K428-Y430 PolarHBondContact NZ-OH 3.41Å; Y430-S432 PolarHBondContact O-N 2.98Å; Y430-A433 WeakPolarHBondContact O-CB 3.4Å; Y430-A433 PolarHBondContact O-N 3.45Å
431P97.9Very high94.3Very high40 Ų4035.4 Ų35.426%0.2620%0.2SC..THydrogen-bonded Turntrans-47.6139.7171-30.337.7000112.6S403 D404 A433S403-P431 WeakPolarHBondContact O-CB 3.42Å; D404-P431 VanDerWaalsContact O-CG 3.28Å; D404-P431 WeakPolarHBondContact O-CG 3.29Å; P431-A433 PolarHBondContact O-N 2.91Å; P431-A433 VanDerWaalsContact O-N 3.08Å
432S94.6Very high94.8Very high98 Ų9833.5 Ų33.569%0.68518%0.182SC*.THydrogen-bonded Turntrans61.50.1-174.6-53.90000116.6C401 Y430C401-S432 VanDerWaalsContact O-CA 3.3Å; C401-S432 WeakPolarHBondContact O-CA 3.48Å; C401-S432 PolarHBondContact O-N 3.22Å; Y430-S432 PolarHBondContact O-N 2.98Å
433A96.3Very high95.4Very high3 Ų329.6 Ų29.63%0.02516%0.157CC..  trans-70.9146.6173.900000111.2P293 R400 C401 I429 Y430 P431P293-A433 HydrophobicContact CB-CB 4.28Å; R400-A433 WeakPolarHBondContact CA-O 3.19Å; C401-A433 PolarHBondContact N-O 3.36Å; I429-A433 HydrophobicContact CG2-CB 3.82Å; Y430-A433 WeakPolarHBondContact O-CB 3.4Å; Y430-A433 PolarHBondContact O-N 3.45Å; P431-A433 PolarHBondContact O-N 2.91Å; P431-A433 VanDerWaalsContact O-N 3.08Å
434Y97.6Very high95.8Very high77 Ų7729.3 Ų29.330%0.30215%0.147SC..EExtended strand (participates in β ladder)trans-135.6116.2179.2176.6-114.2000109.2E390 K392 W398 V399 R400E390-Y434 VanDerWaalsContact CD-OH 3.26Å; E390-Y434 PolarHBondContact OE1-OH 2.95Å; E390-Y434 VanDerWaalsContact OE2-CE2 3.26Å; E390-Y434 WeakPolarHBondContact OE2-CE2 3.49Å; E390-Y434 VanDerWaalsContact OE2-CZ 3.27Å; E390-Y434 PolarHBondContact OE2-OH 3.43Å; K392-Y434 VanDerWaalsContact CE-OH 3.22Å; K392-Y434 WeakPolarHBondContact CE-OH 3.29Å; K392-Y434 PolarHBondContact NZ-OH 2.88Å; W398-Y434 HydrophobicContact CB-CE2 3.78Å; W398-Y434 HydrophobicContact CD2-CE1 4.28Å; W398-Y434 AromaticContact CE3-CD1 3.94Å; W398-Y434 HydrophobicContact CE3-CD1 3.94Å; W398-Y434 HydrophobicContact CE3-CD2 4.47Å; W398-Y434 AromaticContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE1 3.53Å; W398-Y434 HydrophobicContact CE3-CE2 4.15Å; W398-Y434 HydrophobicContact CE3-CG 4.41Å; W398-Y434 AromaticContact CE3-CZ 3.67Å; W398-Y434 HydrophobicContact CG-CE2 4.43Å; W398-Y434 HydrophobicContact CZ3-CD1 4.18Å; W398-Y434 AromaticContact CZ3-CE1 3.92Å; W398-Y434 HydrophobicContact CZ3-CE1 3.92Å; V399-Y434 WeakPolarHBondContact O-CA 3.35Å; R400-Y434 HydrophobicContact CB-CD2 3.82Å; R400-Y434 HydrophobicContact CG-CD2 4.28Å
435I97.6Very high96.2Very high34 Ų3433 Ų3317%0.17416%0.157CC..EExtended strand (participates in β ladder)trans-146.7144.4-166.4-173.6169000111.7H291 W398 V399 L414 I429 V437H291-I435 HydrophobicContact CB-CD1 4.09Å; H291-I435 WeakPolarHBondContact ND1-CD1 3.44Å; W398-I435 CarbonylContact C-O 3.58Å; W398-I435 WeakPolarHBondContact CA-O 3.33Å; V399-I435 PolarHBondContact N-O 2.97Å; V399-I435 PolarHBondContact O-N 3.25Å; L414-I435 HydrophobicContact CD2-CD1 4.12Å; L414-I435 HydrophobicContact CD2-CG1 4.5Å; I429-I435 HydrophobicContact CD1-CG2 3.68Å; I429-I435 HydrophobicContact CG1-CG2 4.11Å; I429-I435 HydrophobicContact CG2-CG2 4.22Å; I435-V437 HydrophobicContact CG2-CG1 4.1Å
436K98.1Very high96.3Very high31 Ų3134.4 Ų34.414%0.13516%0.163CC..EExtended strand (participates in β ladder)trans-69.9125.6169.9-168176.7-171.2174.30108.9D396 W398 Y413 L414 F438 D439D396-K436 VanDerWaalsContact CG-CE 3.49Å; D396-K436 VanDerWaalsContact CG-NZ 3.32Å; D396-K436 IonicContact OD1-NZ 2.85Å; D396-K436 VanDerWaalsContact OD2-CE 3.26Å; D396-K436 WeakPolarHBondContact OD2-CE 3.4Å; D396-K436 IonicContact OD2-NZ 2.71Å; D396-K436 PolarHBondContact OD2-NZ 2.75Å; W398-K436 HydrophobicContact CD2-CB 3.91Å; W398-K436 HydrophobicContact CD2-CG 4.45Å; W398-K436 HydrophobicContact CE3-CB 4.17Å; W398-K436 HydrophobicContact CH2-CB 4Å; W398-K436 HydrophobicContact CZ2-CB 3.74Å; W398-K436 HydrophobicContact CZ2-CD 4.24Å; W398-K436 HydrophobicContact CZ2-CG 4.22Å; W398-K436 HydrophobicContact CZ3-CB 4.21Å; Y413-K436 HydrophobicContact CE1-CB 4.12Å; Y413-K436 HydrophobicContact CE1-CD 4.27Å; Y413-K436 HydrophobicContact CE1-CG 4.01Å; Y413-K436 WeakPolarHBondContact CE1-O 3.25Å; L414-K436 WeakPolarHBondContact CD2-O 3.36Å; K436-F438 WeakPolarHBondContact CE-O 3.45Å; K436-D439 IonicContact NZ-OD2 2.7Å; K436-D439 PolarHBondContact NZ-OD2 3.22Å
437V98.2Very high96.1Very high0 Ų034.3 Ų34.30%016%0.162CC..EExtended strand (participates in β ladder)trans-114.2-6.8179.1-55.20000113V397 V399 S411 L414 I429 I435 L501V397-V437 HydrophobicContact CB-CG2 4.24Å; V397-V437 HydrophobicContact CG1-CG2 4.17Å; V397-V437 PolarHBondContact O-N 2.87Å; V399-V437 HydrophobicContact CB-CG1 3.84Å; V399-V437 HydrophobicContact CG2-CB 4.18Å; V399-V437 HydrophobicContact CG2-CG1 3.53Å; V399-V437 HydrophobicContact CG2-CG2 3.57Å; S411-V437 WeakPolarHBondContact CB-O 3.33Å; S411-V437 PolarHBondContact OG-O 3.32Å; L414-V437 HydrophobicContact CD1-CB 4.37Å; L414-V437 HydrophobicContact CD1-CG1 4.13Å; I429-V437 HydrophobicContact CD1-CG1 4.09Å; I435-V437 HydrophobicContact CG2-CG1 4.1Å; V437-L501 HydrophobicContact CG2-CD1 3.66Å; V437-L501 HydrophobicContact CG2-CD2 4.28Å
438F98.4Very high95.9Very high8 Ų838.7 Ų38.74%0.03518%0.183CC..EExtended strand (participates in β ladder)trans-153.9142178.6-178.5-96.6000111G395 V397 K436 L440 C443 L498 L501 L529 A532G395-F438 VanDerWaalsContact O-CD1 3.31Å; G395-F438 WeakPolarHBondContact O-CD1 3.47Å; G395-F438 WeakPolarHBondContact O-CE1 3.34Å; V397-F438 HydrophobicContact CB-CB 3.9Å; V397-F438 HydrophobicContact CG2-CB 4.11Å; V397-F438 HydrophobicContact CG2-CD1 4.12Å; V397-F438 HydrophobicContact CG2-CG 4.44Å; V397-F438 PolarHBondContact N-O 3.06Å; V397-F438 VanDerWaalsContact N-O 3.14Å; V397-F438 PolarHBondContact O-N 3.46Å; K436-F438 WeakPolarHBondContact CE-O 3.45Å; F438-L440 HydrophobicContact CE1-CB 4.02Å; F438-L440 HydrophobicContact CE1-CD1 3.8Å; F438-L440 HydrophobicContact CZ-CD1 4.16Å; F438-C443 HydrophobicContact CE1-CB 4.4Å; F438-C443 HydrophobicContact CE2-CB 3.62Å; F438-C443 VanDerWaalsContact CE2-SG 3.58Å; F438-C443 HydrophobicContact CZ-CB 3.44Å; F438-C443 VanDerWaalsContact CZ-CB 3.44Å; F438-C443 VanDerWaalsContact CZ-SG 3.59Å; F438-L498 WeakPolarHBondContact CE2-O 3.36Å; F438-L501 HydrophobicContact CB-CD1 4.27Å; F438-L501 HydrophobicContact CB-CD2 4.48Å; F438-L529 HydrophobicContact CB-CD1 4.15Å; F438-L529 HydrophobicContact CD1-CD1 3.53Å; F438-L529 HydrophobicContact CD2-CD1 3.61Å; F438-L529 HydrophobicContact CE1-CD1 3.71Å; F438-L529 HydrophobicContact CE2-CD1 3.79Å; F438-L529 HydrophobicContact CG-CD1 3.48Å; F438-L529 VanDerWaalsContact CG-CD1 3.48Å; F438-L529 HydrophobicContact CZ-CD1 3.83Å; F438-A532 HydrophobicContact CE1-CB 4.42Å; F438-A532 HydrophobicContact CZ-CB 3.76Å
439D97.3Very high95.5Very high29 Ų2942.4 Ų42.416%0.15520%0.201CC..  trans-127.2117.4175.4-177-67.9000109.5D396 Y413 K436 R441 Q442 C443D396-D439 WeakPolarHBondContact OD1-CA 3.43Å; Y413-D439 HydrophobicContact CD2-CB 3.65Å; Y413-D439 HydrophobicContact CE2-CB 3.77Å; Y413-D439 HydrophobicContact CG-CB 4.49Å; K436-D439 IonicContact NZ-OD2 2.7Å; K436-D439 PolarHBondContact NZ-OD2 3.22Å; D439-R441 PolarHBondContact O-N 3.02Å; D439-R441 PolarHBondContact OD1-N 2.82Å; D439-R441 VanDerWaalsContact OD1-N 3.07Å; D439-Q442 HydrophobicContact CB-CB 3.82Å; D439-Q442 PolarHBondContact O-N 3.19Å; D439-Q442 WeakPolarHBondContact OD1-CB 3.37Å; D439-Q442 PolarHBondContact OD1-N 2.94Å; D439-C443 VanDerWaalsContact O-CB 3.29Å; D439-C443 WeakPolarHBondContact O-CB 3.48Å; D439-C443 PolarHBondContact O-N 2.57Å
440L96.4Very high95.1Very high3 Ų344.6 Ų44.62%0.01621%0.211CC..Hα-helixtrans-67.9-35.6-172.6-171.371.5000111.9I314 E394 D396 F438 C443 H444 R531 A532 L535I314-L440 HydrophobicContact CD1-CB 4.05Å; I314-L440 HydrophobicContact CD1-CD2 3.59Å; I314-L440 HydrophobicContact CD1-CG 3.58Å; E394-L440 HydrophobicContact CB-CD2 3.87Å; E394-L440 HydrophobicContact CG-CD2 3.73Å; D396-L440 PolarHBondContact OD1-N 3.02Å; F438-L440 HydrophobicContact CE1-CB 4.02Å; F438-L440 HydrophobicContact CE1-CD1 3.8Å; F438-L440 HydrophobicContact CZ-CD1 4.16Å; L440-C443 PolarHBondContact O-N 3.42Å; L440-H444 WeakPolarHBondContact O-CB 3.5Å; L440-H444 PolarHBondContact O-N 2.61Å; L440-R531 HydrophobicContact CD1-CB 4.43Å; L440-R531 HydrophobicContact CD1-CG 4.13Å; L440-R531 HydrophobicContact CD2-CG 3.63Å; L440-A532 HydrophobicContact CD1-CB 3.99Å; L440-L535 HydrophobicContact CD1-CD1 3.93Å; L440-L535 HydrophobicContact CD2-CD1 4.19Å; L440-L535 HydrophobicContact CG-CD1 3.95Å
441R94.1Very high94.6Very high67 Ų6741.5 Ų41.525%0.25320%0.2SC..Hα-helixtrans-72.1-37.8179.4-67.5-176.1-178.8-93.2-24.3111.7P312 I314 E394 D439 R445P312-R441 PolarHBondContact O-NH1 3.28Å; P312-R441 PolarHBondContact O-NH2 3.22Å; I314-R441 HydrophobicContact CD1-CB 4.35Å; I314-R441 HydrophobicContact CD1-CG 3.56Å; I314-R441 HydrophobicContact CG1-CG 3.88Å; E394-R441 IonicContact OE2-NH2 3.58Å; D439-R441 PolarHBondContact O-N 3.02Å; D439-R441 PolarHBondContact OD1-N 2.82Å; D439-R441 VanDerWaalsContact OD1-N 3.07Å; R441-R445 WeakPolarHBondContact O-CG 3.25Å; R441-R445 PolarHBondContact O-N 2.69Å; R441-R445 PolarHBondContact O-NE 2.96Å
442Q93.7Very high94.1Very high12 Ų1242 Ų426%0.05621%0.208CC..Hα-helixtrans-65.2-47173.4-163.1-161.886.900110.3E417 D439 R445 Q446E417-Q442 PolarHBondContact OE1-NE2 3Å; D439-Q442 HydrophobicContact CB-CB 3.82Å; D439-Q442 PolarHBondContact O-N 3.19Å; D439-Q442 WeakPolarHBondContact OD1-CB 3.37Å; D439-Q442 PolarHBondContact OD1-N 2.94Å; Q442-R445 PolarHBondContact O-N 2.81Å; Q442-Q446 WeakPolarHBondContact O-CB 3.48Å; Q442-Q446 PolarHBondContact O-N 3.04Å
443C95.3Very high93.7Very high7 Ų740.2 Ų40.25%0.04719%0.192CC..Hα-helixtrans-57.7-50.8177.1-171.50000111.8F438 D439 L440 R445 Q446 M447F438-C443 HydrophobicContact CE1-CB 4.4Å; F438-C443 HydrophobicContact CE2-CB 3.62Å; F438-C443 VanDerWaalsContact CE2-SG 3.58Å; F438-C443 HydrophobicContact CZ-CB 3.44Å; F438-C443 VanDerWaalsContact CZ-CB 3.44Å; F438-C443 VanDerWaalsContact CZ-SG 3.59Å; D439-C443 VanDerWaalsContact O-CB 3.29Å; D439-C443 WeakPolarHBondContact O-CB 3.48Å; D439-C443 PolarHBondContact O-N 2.57Å; L440-C443 PolarHBondContact O-N 3.42Å; C443-R445 PolarHBondContact O-N 3.45Å; C443-Q446 WeakPolarHBondContact O-CB 3.36Å; C443-Q446 PolarHBondContact O-N 3.12Å; C443-Q446 VanDerWaalsContact O-N 3.1Å; C443-M447 WeakPolarHBondContact O-CG 3.26Å; C443-M447 PolarHBondContact O-N 3.41Å; C443-M447 WeakPolarHBondContact SG-CE 3.33Å
444H94.7Very high93.1Very high24 Ų2440.7 Ų40.711%0.11120%0.197CC..Hα-helixtrans-59.6-47.1178.8-177.1-125.6000113.1I314 L440 Q446 M447 Q448 L535I314-H444 HydrophobicContact CG2-CB 4.11Å; I314-H444 WeakPolarHBondContact CG2-ND1 3.35Å; L440-H444 WeakPolarHBondContact O-CB 3.5Å; L440-H444 PolarHBondContact O-N 2.61Å; H444-Q446 VanDerWaalsContact C-N 3.25Å; H444-Q446 PolarHBondContact O-N 3.24Å; H444-M447 WeakPolarHBondContact O-CB 3.4Å; H444-M447 PolarHBondContact O-N 3.26Å; H444-Q448 VanDerWaalsContact CE1-CD 3.46Å; H444-Q448 PolarHBondContact CE1-NE2 2.89Å; H444-Q448 PolarHBondContact NE2-NE2 3.41Å; H444-Q448 WeakPolarHBondContact O-CG 3.11Å; H444-Q448 PolarHBondContact O-N 3.02Å; H444-L535 HydrophobicContact CB-CD1 4.21Å
445R93Very high92.3Very high144 Ų14441.2 Ų41.254%0.54320%0.202SC..Hα-helixtrans-60.3-36.5175.1-73.4179.4-63.7-134.7-1.8112.3R441 Q442 C443 Q449R441-R445 WeakPolarHBondContact O-CG 3.25Å; R441-R445 PolarHBondContact O-N 2.69Å; R441-R445 PolarHBondContact O-NE 2.96Å; Q442-R445 PolarHBondContact O-N 2.81Å; C443-R445 PolarHBondContact O-N 3.45Å; R445-Q449 WeakPolarHBondContact O-CB 3.49Å; R445-Q449 PolarHBondContact O-N 3.04Å
446Q91.3Very high91.6Very high30 Ų3042.6 Ų42.614%0.1422%0.218CC..Hα-helixtrans-70.7-39.5177.7-174.9170.1-14.400111.9Q442 C443 H444 Q449 Q450 L498Q442-Q446 WeakPolarHBondContact O-CB 3.48Å; Q442-Q446 PolarHBondContact O-N 3.04Å; C443-Q446 WeakPolarHBondContact O-CB 3.36Å; C443-Q446 PolarHBondContact O-N 3.12Å; C443-Q446 VanDerWaalsContact O-N 3.1Å; H444-Q446 VanDerWaalsContact C-N 3.25Å; H444-Q446 PolarHBondContact O-N 3.24Å; Q446-Q449 PolarHBondContact O-N 3.18Å; Q446-Q450 HydrophobicContact CG-CG 4.35Å; Q446-Q450 WeakPolarHBondContact O-CB 3.45Å; Q446-Q450 WeakPolarHBondContact O-CG 3.29Å; Q446-Q450 PolarHBondContact O-N 3.21Å; Q446-L498 HydrophobicContact CB-CD1 4.3Å; Q446-L498 HydrophobicContact CG-CD1 3.89Å; Q446-L498 HydrophobicContact CG-CD2 4.38Å
447M92.7Very high90.8Very high1 Ų141.4 Ų41.41%0.00521%0.214CC..Hα-helixtrans-58.5-52.9172.1-69.1161.3166.300111.1C443 H444 Q449 Q450 A451 L498 C499 A532 L536C443-M447 WeakPolarHBondContact O-CG 3.26Å; C443-M447 PolarHBondContact O-N 3.41Å; C443-M447 WeakPolarHBondContact SG-CE 3.33Å; H444-M447 WeakPolarHBondContact O-CB 3.4Å; H444-M447 PolarHBondContact O-N 3.26Å; M447-Q449 VanDerWaalsContact C-N 3.32Å; M447-Q449 PolarHBondContact O-N 2.75Å; M447-Q450 PolarHBondContact O-N 3.45Å; M447-A451 WeakPolarHBondContact O-CB 3.45Å; M447-A451 PolarHBondContact O-N 3.13Å; M447-L498 HydrophobicContact CE-CB 4.23Å; M447-L498 HydrophobicContact CG-CD1 3.81Å; M447-C499 WeakPolarHBondContact CE-SG 3.3Å; M447-A532 HydrophobicContact CE-CB 4.44Å; M447-L536 HydrophobicContact CE-CB 3.89Å; M447-L536 HydrophobicContact CG-CD1 4.46Å; M447-L536 HydrophobicContact SD-CB 4.15Å
448Q92.3Very high90Very high93 Ų9344 Ų4444%0.43524%0.235SC..Hα-helixtrans-56.8-44.4178.3-70177.8-41.300111.9H444 A452 V539H444-Q448 VanDerWaalsContact CE1-CD 3.46Å; H444-Q448 PolarHBondContact CE1-NE2 2.89Å; H444-Q448 PolarHBondContact NE2-NE2 3.41Å; H444-Q448 WeakPolarHBondContact O-CG 3.11Å; H444-Q448 PolarHBondContact O-N 3.02Å; Q448-A452 WeakPolarHBondContact O-CB 3.31Å; Q448-A452 PolarHBondContact O-N 3.43Å; Q448-V539 HydrophobicContact CG-CG2 3.83Å
449Q90.5Very high89.1Confident120 Ų12046.4 Ų46.456%0.56126%0.257SS*.Hα-helixtrans-66.8-45.7179-177.659.176.500112.4R445 Q446 M447 A452 T453R445-Q449 WeakPolarHBondContact O-CB 3.49Å; R445-Q449 PolarHBondContact O-N 3.04Å; Q446-Q449 PolarHBondContact O-N 3.18Å; M447-Q449 VanDerWaalsContact C-N 3.32Å; M447-Q449 PolarHBondContact O-N 2.75Å; Q449-A452 PolarHBondContact O-N 3.44Å; Q449-T453 PolarHBondContact NE2-OG1 2.93Å; Q449-T453 WeakPolarHBondContact O-CB 3.3Å; Q449-T453 PolarHBondContact O-N 3.27Å; Q449-T453 PolarHBondContact O-OG1 2.94Å
450Q88.9Confident88.2Confident45 Ų4546.9 Ų46.921%0.2127%0.265CS..Hα-helixtrans-67.5-39.6179-73.8-175.6-3.400111.5Q446 M447 T453 A454 I490 L495Q446-Q450 HydrophobicContact CG-CG 4.35Å; Q446-Q450 WeakPolarHBondContact O-CB 3.45Å; Q446-Q450 WeakPolarHBondContact O-CG 3.29Å; Q446-Q450 PolarHBondContact O-N 3.21Å; M447-Q450 PolarHBondContact O-N 3.45Å; Q450-T453 PolarHBondContact O-N 3.23Å; Q450-A454 WeakPolarHBondContact O-CB 3.48Å; Q450-A454 PolarHBondContact O-N 3.46Å; Q450-I490 HydrophobicContact CB-CD1 4.35Å; Q450-I490 HydrophobicContact CB-CG2 4.38Å; Q450-L495 HydrophobicContact CB-CD2 3.49Å; Q450-L495 VanDerWaalsContact CB-CD2 3.49Å
451A88Confident87.2Confident5 Ų550 Ų504%0.04128%0.279CS..Hα-helixtrans-57.1-52.7172.200000112M447 T453 A454 Q455 V539 M543M447-A451 WeakPolarHBondContact O-CB 3.45Å; M447-A451 PolarHBondContact O-N 3.13Å; A451-T453 VanDerWaalsContact C-N 3.34Å; A451-T453 PolarHBondContact O-N 2.76Å; A451-A454 WeakPolarHBondContact O-CB 3.19Å; A451-A454 PolarHBondContact O-N 3.38Å; A451-Q455 WeakPolarHBondContact O-CB 3.43Å; A451-Q455 PolarHBondContact O-N 2.98Å; A451-V539 HydrophobicContact CB-CG1 3.63Å; A451-M543 HydrophobicContact CB-CE 3.36Å
452A87.3Confident86.1Confident52 Ų5249.8 Ų49.843%0.4329%0.292SS..Hα-helixtrans-62.5-39.4178.700000112.3Q448 Q449 A456Q448-A452 WeakPolarHBondContact O-CB 3.31Å; Q448-A452 PolarHBondContact O-N 3.43Å; Q449-A452 PolarHBondContact O-N 3.44Å; A452-A456 VanDerWaalsContact O-CB 3.32Å; A452-A456 WeakPolarHBondContact O-CB 3.32Å; A452-A456 PolarHBondContact O-N 2.91Å
453T85.9Confident85.2Confident59 Ų5951.5 Ų51.536%0.36231%0.308SS..Hα-helixtrans-65.8-41.7175.4-64.50000112.1Q449 Q450 A451 A456 A457 A487 I490Q449-T453 PolarHBondContact NE2-OG1 2.93Å; Q449-T453 WeakPolarHBondContact O-CB 3.3Å; Q449-T453 PolarHBondContact O-N 3.27Å; Q449-T453 PolarHBondContact O-OG1 2.94Å; Q450-T453 PolarHBondContact O-N 3.23Å; A451-T453 VanDerWaalsContact C-N 3.34Å; A451-T453 PolarHBondContact O-N 2.76Å; T453-A456 PolarHBondContact O-N 3.17Å; T453-A457 WeakPolarHBondContact O-CB 3.21Å; T453-A457 PolarHBondContact O-N 3.19Å; T453-A487 HydrophobicContact CG2-CB 4.26Å; T453-I490 HydrophobicContact CG2-CD1 4.44Å
454A83.5Confident84Confident14 Ų1454 Ų5412%0.11633%0.329CS..Hα-helixtrans-61.3-46.817600000111.6Q450 A451 A457 A458 I490Q450-A454 WeakPolarHBondContact O-CB 3.48Å; Q450-A454 PolarHBondContact O-N 3.46Å; A451-A454 WeakPolarHBondContact O-CB 3.19Å; A451-A454 PolarHBondContact O-N 3.38Å; A454-A457 PolarHBondContact O-N 3.37Å; A454-A458 WeakPolarHBondContact O-CB 3.44Å; A454-A458 PolarHBondContact O-N 2.97Å; A454-I490 HydrophobicContact CB-CB 3.86Å; A454-I490 HydrophobicContact CB-CD1 4.38Å; A454-I490 HydrophobicContact CB-CG2 4.24Å
455Q81.7Confident82.7Confident88 Ų8859.2 Ų59.241%0.41136%0.362SS..Hα-helixtrans-64-44.4178.4-172.1-169-3200112A451 A457 A458 A459 P544A451-Q455 WeakPolarHBondContact O-CB 3.43Å; A451-Q455 PolarHBondContact O-N 2.98Å; Q455-A457 VanDerWaalsContact C-N 3.29Å; Q455-A457 PolarHBondContact O-N 3.43Å; Q455-A458 PolarHBondContact O-N 3.32Å; Q455-A459 WeakPolarHBondContact O-CB 3.41Å; Q455-A459 PolarHBondContact O-N 3.03Å; Q455-P544 VanDerWaalsContact NE2-CD 3.3Å
456A83.1Confident81.4Confident63 Ų6354.4 Ų54.452%0.52135%0.353SS..Hα-helixtrans-62.1-37.7176.400000112A452 T453 A460A452-A456 VanDerWaalsContact O-CB 3.32Å; A452-A456 WeakPolarHBondContact O-CB 3.32Å; A452-A456 PolarHBondContact O-N 2.91Å; T453-A456 PolarHBondContact O-N 3.17Å; A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.34Å; A456-A460 PolarHBondContact O-N 3.22Å
457A80.9Confident79.7Confident6 Ų656 Ų565%0.0538%0.378CS..Hα-helixtrans-68.5-44175.800000112.5T453 A454 Q455 A460 Q461 A487 A488T453-A457 WeakPolarHBondContact O-CB 3.21Å; T453-A457 PolarHBondContact O-N 3.19Å; A454-A457 PolarHBondContact O-N 3.37Å; Q455-A457 VanDerWaalsContact C-N 3.29Å; Q455-A457 PolarHBondContact O-N 3.43Å; A457-A460 PolarHBondContact O-N 3.43Å; A457-Q461 WeakPolarHBondContact O-CB 3.28Å; A457-Q461 WeakPolarHBondContact O-CG 3.43Å; A457-Q461 PolarHBondContact O-N 2.94Å; A457-A487 HydrophobicContact CB-CB 3.39Å; A457-A487 WeakPolarHBondContact CB-O 3.25Å; A457-A488 HydrophobicContact CB-CB 4.14Å
458A80.3Confident77.9Confident53 Ų5362 Ų6244%0.43841%0.41SS..Hα-helixtrans-60.7-44.1175.100000111.6A454 Q455 Q461 A462A454-A458 WeakPolarHBondContact O-CB 3.44Å; A454-A458 PolarHBondContact O-N 2.97Å; Q455-A458 PolarHBondContact O-N 3.32Å; A458-Q461 PolarHBondContact O-N 2.92Å; A458-A462 WeakPolarHBondContact O-CB 3.4Å; A458-A462 PolarHBondContact O-N 3.07Å
459A79.8Confident75.9Confident60 Ų6063.7 Ų63.750%0.49642%0.42SS..Hα-helixtrans-63.2-42.9175.500000112.3Q455 Q461 A462 A463Q455-A459 WeakPolarHBondContact O-CB 3.41Å; Q455-A459 PolarHBondContact O-N 3.03Å; A459-Q461 VanDerWaalsContact C-N 3.34Å; A459-Q461 PolarHBondContact O-N 2.89Å; A459-A462 PolarHBondContact O-N 2.81Å; A459-A463 WeakPolarHBondContact O-CB 3.45Å; A459-A463 PolarHBondContact O-N 3.42Å
460A78.4Confident73.7Confident38 Ų3864 Ų6431%0.31443%0.433SS..Hα-helixtrans-66-35.1176.700000112.7A456 A457 A464 L484A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.34Å; A456-A460 PolarHBondContact O-N 3.22Å; A457-A460 PolarHBondContact O-N 3.43Å; A460-A464 WeakPolarHBondContact O-CB 3.39Å; A460-A464 PolarHBondContact O-N 3.37Å; A460-L484 HydrophobicContact CB-CD2 3.63Å
461Q76.3Confident71.7Confident70 Ų7063.9 Ų63.933%0.32744%0.444SS..Hα-helixtrans-67.3-44.7171.9-73.4-176.7-1.800111.9A457 A458 A459 A463 A464 V465 L484 A488A457-Q461 WeakPolarHBondContact O-CB 3.28Å; A457-Q461 WeakPolarHBondContact O-CG 3.43Å; A457-Q461 PolarHBondContact O-N 2.94Å; A458-Q461 PolarHBondContact O-N 2.92Å; A459-Q461 VanDerWaalsContact C-N 3.34Å; A459-Q461 PolarHBondContact O-N 2.89Å; Q461-A463 PolarHBondContact O-N 2.82Å; Q461-A464 PolarHBondContact O-N 3.3Å; Q461-V465 WeakPolarHBondContact O-CG2 3.42Å; Q461-V465 PolarHBondContact O-N 2.78Å; Q461-L484 PolarHBondContact NE2-O 3.37Å; Q461-A488 VanDerWaalsContact CD-CB 3.42Å; Q461-A488 VanDerWaalsContact OE1-CB 3.3Å
462A71.4Confident69.6Low62 Ų6270.9 Ų70.951%0.51249%0.489SS..Hα-helixtrans-59.2-46175.300000111.8A458 A459 A464 V465 A466A458-A462 WeakPolarHBondContact O-CB 3.4Å; A458-A462 PolarHBondContact O-N 3.07Å; A459-A462 PolarHBondContact O-N 2.81Å; A462-A464 PolarHBondContact O-N 3.03Å; A462-V465 PolarHBondContact O-N 2.99Å; A462-A466 WeakPolarHBondContact O-CB 3.49Å; A462-A466 PolarHBondContact O-N 3Å
463A73.2Confident67.6Low48 Ų4871.4 Ų71.440%0.39750%0.499SS..Hα-helixtrans-63.7-37.7176.900000113A459 Q461 V465 A466 G467A459-A463 WeakPolarHBondContact O-CB 3.45Å; A459-A463 PolarHBondContact O-N 3.42Å; Q461-A463 PolarHBondContact O-N 2.82Å; A463-V465 VanDerWaalsContact C-N 3.35Å; A463-A466 PolarHBondContact O-N 3.46Å; A463-G467 PolarHBondContact O-N 3.22Å
464A70Confident65.8Low59 Ų5974.2 Ų74.249%0.48852%0.521SS..Hα-helixtrans-66-35.6175.100000112.5A460 Q461 A462A460-A464 WeakPolarHBondContact O-CB 3.39Å; A460-A464 PolarHBondContact O-N 3.37Å; Q461-A464 PolarHBondContact O-N 3.3Å; A462-A464 PolarHBondContact O-N 3.03Å
465V68.9Low63.7Low134 Ų13479.7 Ų79.781%0.81255%0.553SS**Hα-helixtrans-72.7-34.2173.71740000111.6Q461 A462 A463 G467Q461-V465 WeakPolarHBondContact O-CG2 3.42Å; Q461-V465 PolarHBondContact O-N 2.78Å; A462-V465 PolarHBondContact O-N 2.99Å; A463-V465 VanDerWaalsContact C-N 3.35Å; V465-G467 PolarHBondContact O-N 2.87Å
466A64.4Low62.1Low43 Ų4379.6 Ų79.636%0.35558%0.576SS.*THydrogen-bonded Turntrans-73.6-7175.800000114.5A462 A463 N468 L551A462-A466 WeakPolarHBondContact O-CB 3.49Å; A462-A466 PolarHBondContact O-N 3Å; A463-A466 PolarHBondContact O-N 3.46Å; A466-N468 VanDerWaalsContact C-N 3.26Å; A466-N468 PolarHBondContact O-N 3.26Å; A466-L551 HydrophobicContact CB-CD2 3.67Å
467G56.8Low60Low64 Ų6479.5 Ų79.566%0.6658%0.581SS**THydrogen-bonded Turntrans72.87.917500000116A463 V465 I469A463-G467 PolarHBondContact O-N 3.22Å; V465-G467 PolarHBondContact O-N 2.87Å; G467-I469 PolarHBondContact O-N 3.4Å
468N53.3Low58.3Low126 Ų12687.4 Ų87.467%0.67462%0.62SS**  trans-100.679.8-168.2-152.8-0.9000112.2A466A466-N468 VanDerWaalsContact C-N 3.26Å; A466-N468 PolarHBondContact O-N 3.26Å
469I51.4Low56.3Low128 Ų12888.3 Ų88.366%0.65663%0.628SS**  trans-106112.1171.2-57.3179000109.3G467 G471G467-I469 PolarHBondContact O-N 3.4Å; I469-G471 PolarHBondContact O-N 3.42Å
470P44.1Very low54.3Low127 Ų12790.3 Ų90.383%0.82564%0.636SS**  trans-72.7111.1176.3-1529.9000111.2
471G47Very low52.7Low42 Ų4292.3 Ų92.343%0.43365%0.652SS.*  trans-167.5140.3173.700000113I469 G473I469-G471 PolarHBondContact O-N 3.42Å; G471-G473 PolarHBondContact O-N 3.38Å
472P44.1Very low51.1Low153 Ų15395.9 Ų95.999%0.99467%0.672SS**THydrogen-bonded Turntrans-77.166.4178.233.6-35.6000110.8
473G45Very low49.6Very low63 Ų6398.5 Ų98.565%0.64969%0.687SS**THydrogen-bonded Turntrans-169.625.1-17600000112.7G471 V475G471-G473 PolarHBondContact O-N 3.38Å; G473-V475 VanDerWaalsContact C-N 3.28Å; G473-V475 PolarHBondContact O-N 3.07Å
474S47.1Very low48Very low117 Ų11799.7 Ų99.782%0.81869%0.686SS**  trans-71.282.3-178.4-167.70000111.4
475V40.5Very low46.6Very low129 Ų129100.9 Ų100.978%0.78269%0.691SS**  trans-94.8119.4151.6-74.60000106.9G473 G477G473-V475 VanDerWaalsContact C-N 3.28Å; G473-V475 PolarHBondContact O-N 3.07Å; V475-G477 PolarHBondContact O-N 3.44Å
476G47.5Very low45.3Very low86 Ų8699 Ų9989%0.88769%0.689SS**  trans-63120.5-177.400000111.4
477G39.7Very low44.2Very low61 Ų6198.4 Ų98.463%0.62969%0.685SS**  trans158.6119.1172.800000115.5V475 A479V475-G477 PolarHBondContact O-N 3.44Å; G477-A479 PolarHBondContact O-N 2.8Å
478I43.9Very low43.5Very low172 Ų17297.2 Ų97.288%0.88267%0.668SS**  trans49.161.6142.3-30.1175.2000116
479A38.9Very low43.2Very low73 Ų7393.8 Ų93.860%0.60366%0.663SS**  trans-64.5132.2158.100000109.2G477 A481G477-A479 PolarHBondContact O-N 2.8Å; A479-A481 PolarHBondContact O-N 3.34Å
480P39Very low43.4Very low102 Ų10289.9 Ų89.966%0.66264%0.643SS**  trans-70.7106.2-176.426.7-33.2000110.9I482P480-I482 HydrophobicContact CB-CD1 3.98Å; P480-I482 HydrophobicContact CB-CG1 4.05Å; P480-I482 PolarHBondContact O-N 3.37Å
481A44.1Very low44.4Very low79 Ų7985.2 Ų85.265%0.65362%0.618SS**THydrogen-bonded Turntrans-67.120.2177.700000114.7A479A479-A481 PolarHBondContact O-N 3.34Å
482I42.4Very low45.9Very low145 Ų14587.2 Ų87.274%0.74462%0.621SS**THydrogen-bonded Turntrans-80.5-26.8-167.5-51.3176000111.4P480P480-I482 HydrophobicContact CB-CD1 3.98Å; P480-I482 HydrophobicContact CB-CG1 4.05Å; P480-I482 PolarHBondContact O-N 3.37Å
483S39.6Very low47.6Very low117 Ų11785 Ų8582%0.81860%0.601SS**SBendtrans-98.6-1.8-178.7-59.30000115.4
484L41.3Very low49.5Very low73 Ų7384.6 Ų84.638%0.38258%0.584SS.*SBendtrans-103.6-10-178-83.1160.7000114.1A460 Q461A460-L484 HydrophobicContact CB-CD2 3.63Å; Q461-L484 PolarHBondContact NE2-O 3.37Å
485S40.2Very low51.4Low84 Ų8479.1 Ų79.159%0.58755%0.546SS*.THydrogen-bonded Turntrans-73.5-36.6-176.1-172.60000113.3A487S485-A487 VanDerWaalsContact C-N 3.33Å; S485-A487 PolarHBondContact O-N 3.37Å
486A42Very low53.9Low94 Ų9478 Ų7878%0.77753%0.528SS*.THydrogen-bonded Turntrans-66.8-27.8-172.100000114.8
487A40.4Very low56.1Low32 Ų3279.8 Ų79.826%0.26451%0.508SS..THydrogen-bonded Turntrans-92.5-18.6-17300000114T453 A457 S485 G489T453-A487 HydrophobicContact CG2-CB 4.26Å; A457-A487 HydrophobicContact CB-CB 3.39Å; A457-A487 WeakPolarHBondContact CB-O 3.25Å; S485-A487 VanDerWaalsContact C-N 3.33Å; S485-A487 PolarHBondContact O-N 3.37Å; A487-G489 VanDerWaalsContact C-N 3.27Å
488A42.7Very low58.6Low38 Ų3877.3 Ų77.331%0.31448%0.48SS..THydrogen-bonded Turntrans-85.20.6173.300000113.2A457 Q461A457-A488 HydrophobicContact CB-CB 4.14Å; Q461-A488 VanDerWaalsContact CD-CB 3.42Å; Q461-A488 VanDerWaalsContact OE1-CB 3.3Å
489G45.7Very low61.2Low54 Ų5469.1 Ų69.156%0.55744%0.438SS*.THydrogen-bonded Turntrans-85.40.5177.900000115A487 G491A487-G489 VanDerWaalsContact C-N 3.27Å; G489-G491 PolarHBondContact O-N 3.44Å; G489-G491 VanDerWaalsContact O-N 3.16Å
490I55.3Low63.9Low46 Ų4666.8 Ų66.824%0.23642%0.415CS..  trans-79.197178.1-57.6175.3000108.3Q450 T453 A454 D494 L495Q450-I490 HydrophobicContact CB-CD1 4.35Å; Q450-I490 HydrophobicContact CB-CG2 4.38Å; T453-I490 HydrophobicContact CG2-CD1 4.44Å; A454-I490 HydrophobicContact CB-CB 3.86Å; A454-I490 HydrophobicContact CB-CD1 4.38Å; A454-I490 HydrophobicContact CB-CG2 4.24Å; I490-D494 HydrophobicContact CG2-CB 4.43Å; I490-L495 HydrophobicContact CG2-CD2 4.24Å; I490-L495 HydrophobicContact CG2-CG 4.22Å
491G66.8Low66.8Low29 Ų2962.3 Ų62.330%0.29939%0.385SS..  trans-78.9166174.400000112.5G489 D493 D494 L495G489-G491 PolarHBondContact O-N 3.44Å; G489-G491 VanDerWaalsContact O-N 3.16Å; G491-D493 PolarHBondContact O-N 3.45Å; G491-D494 PolarHBondContact N-OD2 3.3Å; G491-D494 PolarHBondContact O-N 3Å; G491-L495 PolarHBondContact O-N 3Å
492V78.3Confident69.4Low84 Ų8461.7 Ų61.751%0.50937%0.366SS..Hα-helixtrans-53.1-34.5166.9174.90000110.9D494 L495 R496 L540V492-D494 VanDerWaalsContact C-N 3.34Å; V492-D494 PolarHBondContact O-N 3.47Å; V492-L495 PolarHBondContact O-N 2.92Å; V492-R496 WeakPolarHBondContact O-CB 3.34Å; V492-R496 PolarHBondContact O-N 3.14Å; V492-L540 HydrophobicContact CG1-CD1 3.82Å; V492-L540 HydrophobicContact CG2-CD1 4.38Å; V492-L540 HydrophobicContact CG2-CD2 4.02Å
493D79.5Confident72Confident107 Ų10755 Ų5557%0.57233%0.332SS*.Hα-helixtrans-63.8-31.6175.7-69.6-59.2000114G491 R497G491-D493 PolarHBondContact O-N 3.45Å; D493-R497 VanDerWaalsContact O-CG 3.31Å; D493-R497 WeakPolarHBondContact O-CG 3.45Å; D493-R497 PolarHBondContact O-N 3.1Å
494D83.8Confident74.9Confident54 Ų5449.4 Ų49.429%0.28929%0.293SS..Hα-helixtrans-76.5-39.6178.2-62.4-58.9000111.2I490 G491 V492 R496 R497I490-D494 HydrophobicContact CG2-CB 4.43Å; G491-D494 PolarHBondContact N-OD2 3.3Å; G491-D494 PolarHBondContact O-N 3Å; V492-D494 VanDerWaalsContact C-N 3.34Å; V492-D494 PolarHBondContact O-N 3.47Å; D494-R496 VanDerWaalsContact C-N 3.33Å; D494-R497 WeakPolarHBondContact O-CB 3.35Å; D494-R497 PolarHBondContact O-N 2.89Å; D494-R497 IonicContact OD1-CZ 3.22Å; D494-R497 IonicContact OD1-NE 3.79Å; D494-R497 IonicContact OD1-NH1 3.13Å; D494-R497 IonicContact OD1-NH2 3.15Å
495L88.8Confident77.6Confident3 Ų346 Ų462%0.01628%0.275CS..Hα-helixtrans-62.9-40.7170.3-61.5173.3000111.3Q450 I490 G491 V492 R497 L498 L536 L540Q450-L495 HydrophobicContact CB-CD2 3.49Å; Q450-L495 VanDerWaalsContact CB-CD2 3.49Å; I490-L495 HydrophobicContact CG2-CD2 4.24Å; I490-L495 HydrophobicContact CG2-CG 4.22Å; G491-L495 PolarHBondContact O-N 3Å; V492-L495 PolarHBondContact O-N 2.92Å; L495-R497 VanDerWaalsContact C-N 3.27Å; L495-R497 PolarHBondContact O-N 2.62Å; L495-L498 VanDerWaalsContact O-CB 3.29Å; L495-L498 WeakPolarHBondContact O-CB 3.45Å; L495-L498 WeakPolarHBondContact O-CG 3.12Å; L495-L498 PolarHBondContact O-N 3.05Å; L495-L498 VanDerWaalsContact O-N 3.11Å; L495-L536 HydrophobicContact CB-CD1 3.54Å; L495-L536 HydrophobicContact CB-CD2 4.21Å; L495-L536 HydrophobicContact CD1-CD1 4.02Å; L495-L536 HydrophobicContact CG-CD1 4.35Å; L495-L540 HydrophobicContact CD1-CD2 4.03Å
496R92.3Very high80.3Confident106 Ų10642.9 Ų42.940%0.425%0.252SS..Hα-helixtrans-59.6-35.6176.5-175.3-174.3173.1113.31.4112.2V492 D494 L498 C499 I500 H528 L533 L536V492-R496 WeakPolarHBondContact O-CB 3.34Å; V492-R496 PolarHBondContact O-N 3.14Å; D494-R496 VanDerWaalsContact C-N 3.33Å; R496-L498 PolarHBondContact O-N 2.92Å; R496-C499 VanDerWaalsContact O-CB 3.29Å; R496-C499 WeakPolarHBondContact O-CB 3.44Å; R496-C499 PolarHBondContact O-N 3.02Å; R496-I500 HydrophobicContact CG-CD1 4.14Å; R496-H528 PolarHBondContact NH2-CD2 3.34Å; R496-H528 VanDerWaalsContact NH2-CD2 3.3Å; R496-H528 PolarHBondContact NH2-NE2 3.33Å; R496-L533 HydrophobicContact CG-CD2 4.12Å; R496-L536 HydrophobicContact CB-CD2 4.14Å
497R92.8Very high82.9Confident123 Ų12342.8 Ų42.846%0.46423%0.234SC..Hα-helixtrans-60.8-28.1177.2-71167-162-16110.1112.8Y412 D493 D494 L495 C499 I500Y412-R497 HydrophobicContact CE2-CB 3.77Å; Y412-R497 WeakPolarHBondContact CE2-O 3.39Å; D493-R497 VanDerWaalsContact O-CG 3.31Å; D493-R497 WeakPolarHBondContact O-CG 3.45Å; D493-R497 PolarHBondContact O-N 3.1Å; D494-R497 WeakPolarHBondContact O-CB 3.35Å; D494-R497 PolarHBondContact O-N 2.89Å; D494-R497 IonicContact OD1-CZ 3.22Å; D494-R497 IonicContact OD1-NE 3.79Å; D494-R497 IonicContact OD1-NH1 3.13Å; D494-R497 IonicContact OD1-NH2 3.15Å; L495-R497 VanDerWaalsContact C-N 3.27Å; L495-R497 PolarHBondContact O-N 2.62Å; R497-C499 PolarHBondContact O-N 3.33Å; R497-I500 PolarHBondContact O-N 3.2Å; R497-I500 VanDerWaalsContact O-N 3.14Å
498L93.7Very high85.6Confident9 Ų941.3 Ų41.35%0.04722%0.222CC..Hα-helixtrans-62.6-27.2173.5-54.9177.7000112.2Y412 F438 Q446 M447 L495 R496 I500Y412-L498 HydrophobicContact CD1-CD2 4.39Å; Y412-L498 HydrophobicContact CD2-CD2 4.02Å; Y412-L498 HydrophobicContact CG-CD2 3.93Å; F438-L498 WeakPolarHBondContact CE2-O 3.36Å; Q446-L498 HydrophobicContact CB-CD1 4.3Å; Q446-L498 HydrophobicContact CG-CD1 3.89Å; Q446-L498 HydrophobicContact CG-CD2 4.38Å; M447-L498 HydrophobicContact CE-CB 4.23Å; M447-L498 HydrophobicContact CG-CD1 3.81Å; L495-L498 VanDerWaalsContact O-CB 3.29Å; L495-L498 WeakPolarHBondContact O-CB 3.45Å; L495-L498 WeakPolarHBondContact O-CG 3.12Å; L495-L498 PolarHBondContact O-N 3.05Å; L495-L498 VanDerWaalsContact O-N 3.11Å; R496-L498 PolarHBondContact O-N 2.92Å; L498-I500 VanDerWaalsContact C-N 3.3Å; L498-I500 PolarHBondContact O-N 2.79Å
499C96.9Very high88.2Confident0 Ų040.3 Ų40.30%021%0.21CC..THydrogen-bonded Turntrans-83.6-0.7178.3-48.40000114M447 R496 R497 L529 A532 L533M447-C499 WeakPolarHBondContact CE-SG 3.3Å; R496-C499 VanDerWaalsContact O-CB 3.29Å; R496-C499 WeakPolarHBondContact O-CB 3.44Å; R496-C499 PolarHBondContact O-N 3.02Å; R497-C499 PolarHBondContact O-N 3.33Å; C499-L529 WeakPolarHBondContact O-CB 3.32Å; C499-L529 PolarHBondContact O-N 2.9Å; C499-A532 HydrophobicContact CB-CB 4.01Å; C499-L533 HydrophobicContact CB-CD2 3.64Å; C499-L533 HydrophobicContact CB-CG 3.75Å
500I97.6Very high90.4Very high23 Ų2338 Ų3812%0.11819%0.186CC..EExtended strand (participates in β ladder)trans-120.7124.9-167.8-62.2172.8000109.8R496 R497 L498 R502 E526 I527R496-I500 HydrophobicContact CG-CD1 4.14Å; R497-I500 PolarHBondContact O-N 3.2Å; R497-I500 VanDerWaalsContact O-N 3.14Å; L498-I500 VanDerWaalsContact C-N 3.3Å; L498-I500 PolarHBondContact O-N 2.79Å; I500-R502 HydrophobicContact CG2-CG 4.22Å; I500-E526 HydrophobicContact CG2-CG 3.54Å; I500-I527 WeakPolarHBondContact CA-O 3.32Å
501L98.3Very high92Very high8 Ų839.8 Ų39.84%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-98.9144.8165.9-63.6167.7000109V397 V437 F438 I527 L529V397-L501 HydrophobicContact CB-CD1 4.33Å; V397-L501 HydrophobicContact CG1-CD1 4.25Å; V437-L501 HydrophobicContact CG2-CD1 3.66Å; V437-L501 HydrophobicContact CG2-CD2 4.28Å; F438-L501 HydrophobicContact CB-CD1 4.27Å; F438-L501 HydrophobicContact CB-CD2 4.48Å; L501-I527 HydrophobicContact CB-CB 4.27Å; L501-I527 HydrophobicContact CB-CD1 4.18Å; L501-I527 PolarHBondContact N-O 2.93Å; L501-I527 PolarHBondContact O-N 3.22Å; L501-L529 HydrophobicContact CD1-CD1 4.13Å; L501-L529 HydrophobicContact CG-CD1 4.35Å
502R98.6Very high93.1Very high67 Ų6742.8 Ų42.825%0.25321%0.21SC..EExtended strand (participates in β ladder)trans-127.3141.2171.4-67.1-176.7173.8147.40.6110.6V409 Q410 I500 I518 W524 I525 E526V409-R502 CarbonylContact C-O 3.48Å; V409-R502 WeakPolarHBondContact CA-O 3.16Å; Q410-R502 HydrophobicContact CB-CB 4.06Å; Q410-R502 PolarHBondContact N-O 2.99Å; Q410-R502 PolarHBondContact O-N 3.43Å; I500-R502 HydrophobicContact CG2-CG 4.22Å; R502-I518 HydrophobicContact CB-CD1 3.76Å; R502-W524 HydrophobicContact CG-CZ3 4.17Å; R502-I525 WeakPolarHBondContact CA-O 3.47Å; R502-E526 HydrophobicContact CG-CB 4.49Å; R502-E526 HydrophobicContact CG-CG 4.13Å; R502-E526 IonicContact CZ-OE2 2.72Å; R502-E526 IonicContact NE-OE2 2.74Å; R502-E526 PolarHBondContact NE-OE2 2.95Å; R502-E526 IonicContact NH2-OE2 3.93Å; R502-E526 PolarHBondContact NH2-OE2 2.58Å
503M98.5Very high93.8Very high4 Ų441 Ų412%0.0219%0.194CC..EExtended strand (participates in β ladder)trans-143.6123.6-174.1153.8161.430.500111.2V387 L389 V407 F408 V409 F505 W524 I525 I527V387-M503 HydrophobicContact CB-SD 4.32Å; V387-M503 HydrophobicContact CG1-SD 3.77Å; V387-M503 HydrophobicContact CG2-CE 3.95Å; V387-M503 HydrophobicContact CG2-SD 3.86Å; L389-M503 HydrophobicContact CD2-CE 3.73Å; V407-M503 HydrophobicContact CB-CG 4.39Å; V407-M503 HydrophobicContact CB-SD 4.1Å; V407-M503 HydrophobicContact CG1-SD 4.37Å; V407-M503 HydrophobicContact CG2-SD 4.03Å; F408-M503 CarbonylContact O-C 3.54Å; F408-M503 VanDerWaalsContact O-CA 3.29Å; F408-M503 WeakPolarHBondContact O-CA 3.44Å; V409-M503 HydrophobicContact CG2-CB 4.28Å; M503-F505 HydrophobicContact SD-CE1 4.48Å; M503-W524 CarbonylContact O-C 3.46Å; M503-W524 VanDerWaalsContact O-CA 3.25Å; M503-W524 WeakPolarHBondContact O-CA 3.44Å; M503-W524 VanDerWaalsContact O-CB 3.26Å; M503-W524 WeakPolarHBondContact O-CB 3.4Å; M503-I525 HydrophobicContact CB-CG1 4.02Å; M503-I525 HydrophobicContact CE-CD1 3.86Å; M503-I525 HydrophobicContact CE-CG1 4.41Å; M503-I525 HydrophobicContact CG-CD1 4.37Å; M503-I525 HydrophobicContact CG-CG1 4.03Å; M503-I525 PolarHBondContact N-O 3.43Å; M503-I525 PolarHBondContact O-N 2.74Å; M503-I525 HydrophobicContact SD-CD1 4.46Å; M503-I527 HydrophobicContact CB-CD1 4.47Å; M503-I527 HydrophobicContact CE-CD1 4.31Å
504S98.7Very high94.5Very high0 Ų041 Ų410%020%0.2CC..EExtended strand (participates in β ladder)trans-101.1138170.6-166.60000111.6V407 F408 K507 T521 C523V407-S504 WeakPolarHBondContact CA-O 3.38Å; F408-S504 PolarHBondContact N-O 2.86Å; F408-S504 PolarHBondContact O-N 2.84Å; S504-K507 PolarHBondContact OG-O 2.87Å; S504-T521 WeakPolarHBondContact OG-CB 3.49Å; S504-T521 WeakPolarHBondContact OG-CG2 3.41Å; S504-T521 PolarHBondContact OG-OG1 3.25Å; S504-C523 PolarHBondContact OG-O 2.97Å
505F98.5Very high95.1Very high2 Ų241 Ų411%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-87.8139.4174.8-60.9-81.8000110.1V350 L364 I383 V387 V407 M503 K507 C523 I525V350-F505 HydrophobicContact CG1-CZ 4.13Å; L364-F505 HydrophobicContact CD1-CE2 3.87Å; L364-F505 HydrophobicContact CD1-CZ 4.29Å; I383-F505 HydrophobicContact CD1-CD2 4.43Å; I383-F505 HydrophobicContact CG1-CB 3.95Å; I383-F505 HydrophobicContact CG1-CG 4.13Å; I383-F505 HydrophobicContact CG2-CD1 4.12Å; I383-F505 HydrophobicContact CG2-CE1 4.28Å; I383-F505 HydrophobicContact CG2-CG 4.42Å; V387-F505 HydrophobicContact CG1-CE1 4.15Å; V387-F505 HydrophobicContact CG2-CE1 4.02Å; V387-F505 HydrophobicContact CG2-CZ 4.26Å; V407-F505 HydrophobicContact CG1-CD1 3.81Å; V407-F505 HydrophobicContact CG1-CE1 4.35Å; M503-F505 HydrophobicContact SD-CE1 4.48Å; F505-K507 PolarHBondContact O-N 3.34Å; F505-C523 PolarHBondContact N-O 3.16Å; F505-C523 VanDerWaalsContact N-O 3.12Å; F505-I525 HydrophobicContact CE2-CD1 4.22Å; F505-I525 HydrophobicContact CE2-CG1 4Å; F505-I525 HydrophobicContact CE2-CG2 4.17Å; F505-I525 HydrophobicContact CZ-CD1 3.96Å; F505-I525 HydrophobicContact CZ-CG1 4.22Å
506V97.2Very high95.3Very high18 Ų1846.6 Ų46.611%0.10922%0.222CC..SBendtrans69.1-34.6168.2-169.60000115.6H382 H405 A406H382-V506 HydrophobicContact CB-CB 4.48Å; H382-V506 HydrophobicContact CB-CG1 3.95Å; H382-V506 HydrophobicContact CB-CG2 3.62Å; H405-V506 HydrophobicContact CB-CG2 4.26Å; A406-V506 PolarHBondContact O-N 3.45Å
507K97.5Very high95.5Very high91 Ų9143.8 Ų43.840%0.39622%0.219SC..  trans-127.9121.6-172.9-56.6-59.4177.3-164.80112.2F408 S504 F505 P522F408-K507 VanDerWaalsContact CD2-C 3.42Å; S504-K507 PolarHBondContact OG-O 2.87Å; F505-K507 PolarHBondContact O-N 3.34Å; K507-P522 HydrophobicContact CB-CG 4.39Å; K507-P522 HydrophobicContact CG-CG 3.88Å
508G95.8Very high95.7Very high1 Ų138.1 Ų38.11%0.0120%0.198CC..  trans-75.4165.4170.500000113.7F408 R515F408-G508 VanDerWaalsContact CD2-N 3.32Å; F408-G508 VanDerWaalsContact CE2-N 3.28Å; F408-G508 VanDerWaalsContact CG-CA 3.44Å; G508-R515 PolarHBondContact O-NE 3.46Å; G508-R515 PolarHBondContact O-NH2 3.17Å
509W97.3Very high95.9Very high18 Ų1842.8 Ų42.87%0.06822%0.218CC..  trans-134171.4172.274.892.5000109.3F408 Q410 V426 Y513 R515 I518 T521F408-W509 HydrophobicContact CB-CE3 4.15Å; F408-W509 HydrophobicContact CB-CH2 4.33Å; F408-W509 HydrophobicContact CB-CZ3 3.58Å; F408-W509 WeakPolarHBondContact O-CH2 3.49Å; F408-W509 VanDerWaalsContact O-CZ3 3.29Å; F408-W509 WeakPolarHBondContact O-CZ3 3.5Å; Q410-W509 HydrophobicContact CB-CH2 4.35Å; Q410-W509 HydrophobicContact CB-CZ2 4Å; V426-W509 HydrophobicContact CB-CZ2 4.43Å; V426-W509 HydrophobicContact CG1-CD2 4.26Å; V426-W509 HydrophobicContact CG1-CE3 4.21Å; V426-W509 HydrophobicContact CG1-CH2 3.89Å; V426-W509 HydrophobicContact CG1-CZ2 3.91Å; V426-W509 HydrophobicContact CG1-CZ3 4.05Å; V426-W509 HydrophobicContact CG2-CD2 4.17Å; V426-W509 HydrophobicContact CG2-CG 4.47Å; V426-W509 HydrophobicContact CG2-CZ2 3.75Å; V426-W509 WeakPolarHBondContact CG2-O 3.49Å; W509-Y513 VanDerWaalsContact C-CD2 3.49Å; W509-Y513 WeakPolarHBondContact O-CD2 3.49Å; W509-R515 CarbonylContact C-O 3.58Å; W509-R515 VanDerWaalsContact CA-O 3.22Å; W509-R515 WeakPolarHBondContact CA-O 3.33Å; W509-R515 HydrophobicContact CB-CB 4.04Å; W509-R515 WeakPolarHBondContact CB-O 3.5Å; W509-I518 HydrophobicContact CD2-CB 3.78Å; W509-I518 HydrophobicContact CD2-CG1 4.09Å; W509-I518 HydrophobicContact CE3-CB 4Å; W509-I518 HydrophobicContact CE3-CD1 4.24Å; W509-I518 HydrophobicContact CE3-CG1 3.75Å; W509-I518 HydrophobicContact CG-CB 4.27Å; W509-I518 HydrophobicContact CH2-CB 4.39Å; W509-I518 HydrophobicContact CH2-CD1 3.69Å; W509-I518 HydrophobicContact CH2-CG1 4.09Å; W509-I518 HydrophobicContact CZ2-CB 4.2Å; W509-I518 HydrophobicContact CZ2-CD1 4.21Å; W509-I518 HydrophobicContact CZ2-CG1 4.4Å; W509-I518 HydrophobicContact CZ3-CB 4.28Å; W509-I518 HydrophobicContact CZ3-CD1 3.7Å; W509-I518 HydrophobicContact CZ3-CG1 3.73Å; W509-T521 HydrophobicContact CB-CG2 4.04Å; W509-T521 HydrophobicContact CE3-CG2 4.09Å
510G92.9Very high95.9Very high5 Ų546.3 Ų46.35%0.05223%0.234CC..SBendtrans110.4-177.7-176.900000112.4D512 Y513 R515G510-D512 PolarHBondContact O-N 3.49Å; G510-D512 VanDerWaalsContact O-N 3.16Å; G510-Y513 PolarHBondContact O-N 3.21Å; G510-Y513 VanDerWaalsContact O-O 3.11Å; G510-R515 PolarHBondContact N-O 3Å
511P88.4Confident95.9Very high84 Ų8445.2 Ų45.255%0.54523%0.228SC..THydrogen-bonded Turntrans-56.7-32.5-175.3-26.735.7000114.5H287 Y513H287-P511 HydrophobicContact CB-CG 4.07Å; H287-P511 WeakPolarHBondContact ND1-CD 3.43Å; P511-Y513 PolarHBondContact O-N 3.15Å
512D90.1Very high95.9Very high92 Ų9245.4 Ų45.449%0.49223%0.23SC..THydrogen-bonded Turntrans-76.33.1178.1-58.9-58.3000113.5H287 L288 G510H287-D512 WeakPolarHBondContact CB-OD2 3.38Å; H287-D512 PolarHBondContact N-OD2 3Å; L288-D512 HydrophobicContact CB-CB 4.33Å; L288-D512 WeakPolarHBondContact CB-OD2 3.48Å; L288-D512 PolarHBondContact N-OD2 3.47Å; G510-D512 PolarHBondContact O-N 3.49Å; G510-D512 VanDerWaalsContact O-N 3.16Å
513Y93.3Very high95.9Very high45 Ų4542.2 Ų42.218%0.17622%0.218CC..SBendtrans-133.7156.7-173.7-67.2-78.8000112.7L288 F408 W509 G510 P511 R515 Q516L288-Y513 HydrophobicContact CD1-CE2 3.91Å; L288-Y513 WeakPolarHBondContact CD1-OH 3.25Å; L288-Y513 HydrophobicContact CD2-CE2 4.11Å; L288-Y513 WeakPolarHBondContact CD2-OH 3.49Å; L288-Y513 HydrophobicContact CG-CE2 4.42Å; F408-Y513 HydrophobicContact CE1-CE1 4.49Å; F408-Y513 AromaticContact CE1-CZ 3.87Å; F408-Y513 VanDerWaalsContact CE1-OH 3.23Å; F408-Y513 WeakPolarHBondContact CE1-OH 3.21Å; W509-Y513 VanDerWaalsContact C-CD2 3.49Å; W509-Y513 WeakPolarHBondContact O-CD2 3.49Å; G510-Y513 PolarHBondContact O-N 3.21Å; G510-Y513 VanDerWaalsContact O-O 3.11Å; P511-Y513 PolarHBondContact O-N 3.15Å; Y513-R515 PolarHBondContact O-N 3.24Å; Y513-R515 VanDerWaalsContact O-N 3.12Å; Y513-Q516 PolarHBondContact O-NE2 3.45Å
514P92.9Very high95.9Very high107 Ų10742.1 Ų42.170%0.69522%0.218SC*.SBendtrans-70.4-2.8173.430.9-37.8000114
515R96.8Very high95.9Very high54 Ų5442.1 Ų42.120%0.20422%0.218CC..  trans-113.3124.5179.4-74.2166.4-68.9-72.5-13.8108.3G508 W509 G510 Y513 E520G508-R515 PolarHBondContact O-NE 3.46Å; G508-R515 PolarHBondContact O-NH2 3.17Å; W509-R515 CarbonylContact C-O 3.58Å; W509-R515 VanDerWaalsContact CA-O 3.22Å; W509-R515 WeakPolarHBondContact CA-O 3.33Å; W509-R515 HydrophobicContact CB-CB 4.04Å; W509-R515 WeakPolarHBondContact CB-O 3.5Å; G510-R515 PolarHBondContact N-O 3Å; Y513-R515 PolarHBondContact O-N 3.24Å; Y513-R515 VanDerWaalsContact O-N 3.12Å; R515-E520 VanDerWaalsContact CA-OE2 3.26Å; R515-E520 WeakPolarHBondContact CA-OE2 3.44Å; R515-E520 HydrophobicContact CB-CB 3.94Å; R515-E520 WeakPolarHBondContact CD-O 3.23Å; R515-E520 HydrophobicContact CG-CB 3.81Å; R515-E520 WeakPolarHBondContact CG-O 3.34Å
516Q94.1Very high95.9Very high121 Ų12143.2 Ų43.257%0.56522%0.223SC*.SBendtrans-84.7-38-176.9-59.3-54.2-54.100111.8Y513 E520Y513-Q516 PolarHBondContact O-NE2 3.45Å; Q516-E520 PolarHBondContact N-OE1 2.76Å; Q516-E520 PolarHBondContact N-OE2 3.24Å
517S95.8Very high96Very high47 Ų4742.4 Ų42.433%0.32922%0.218SC..SBendtrans-112154.2178-170.30000113K519 E520S517-K519 PolarHBondContact O-N 3.32Å; S517-K519 PolarHBondContact OG-N 2.9Å; S517-E520 WeakPolarHBondContact CB-OE1 3.12Å; S517-E520 PolarHBondContact N-OE1 3.44Å; S517-E520 WeakPolarHBondContact O-CB 3.33Å; S517-E520 PolarHBondContact O-N 2.99Å
518I97.6Very high96.1Very high4 Ų439.3 Ų39.32%0.02121%0.205CC..G310 helixtrans-58.2-28.7167.8-163176.2000112.2R502 W509 E520 T521 W524R502-I518 HydrophobicContact CB-CD1 3.76Å; W509-I518 HydrophobicContact CD2-CB 3.78Å; W509-I518 HydrophobicContact CD2-CG1 4.09Å; W509-I518 HydrophobicContact CE3-CB 4Å; W509-I518 HydrophobicContact CE3-CD1 4.24Å; W509-I518 HydrophobicContact CE3-CG1 3.75Å; W509-I518 HydrophobicContact CG-CB 4.27Å; W509-I518 HydrophobicContact CH2-CB 4.39Å; W509-I518 HydrophobicContact CH2-CD1 3.69Å; W509-I518 HydrophobicContact CH2-CG1 4.09Å; W509-I518 HydrophobicContact CZ2-CB 4.2Å; W509-I518 HydrophobicContact CZ2-CD1 4.21Å; W509-I518 HydrophobicContact CZ2-CG1 4.4Å; W509-I518 HydrophobicContact CZ3-CB 4.28Å; W509-I518 HydrophobicContact CZ3-CD1 3.7Å; W509-I518 HydrophobicContact CZ3-CG1 3.73Å; I518-E520 PolarHBondContact O-N 2.98Å; I518-E520 VanDerWaalsContact O-N 3.16Å; I518-T521 HydrophobicContact CG1-CG2 4.37Å; I518-T521 VanDerWaalsContact O-CB 3.3Å; I518-T521 WeakPolarHBondContact O-CB 3.4Å; I518-T521 WeakPolarHBondContact O-CG2 3.2Å; I518-T521 PolarHBondContact O-N 3.49Å; I518-T521 PolarHBondContact O-OG1 3.01Å; I518-W524 HydrophobicContact CD1-CB 4.04Å; I518-W524 HydrophobicContact CD1-CD2 3.91Å; I518-W524 HydrophobicContact CD1-CE3 3.59Å; I518-W524 HydrophobicContact CD1-CG 4.13Å; I518-W524 HydrophobicContact CD1-CZ3 4.36Å; I518-W524 HydrophobicContact CG1-CB 4.04Å; I518-W524 HydrophobicContact CG1-CD2 3.87Å; I518-W524 HydrophobicContact CG1-CE3 4.04Å; I518-W524 HydrophobicContact CG1-CG 3.88Å; I518-W524 HydrophobicContact CG2-CD2 4.41Å; I518-W524 HydrophobicContact CG2-CE3 4.29Å; I518-W524 HydrophobicContact CG2-CH2 4.41Å; I518-W524 HydrophobicContact CG2-CZ3 4.27Å; I518-W524 PolarHBondContact O-NE1 3.24Å
519K97.5Very high96.2Very high107 Ų10739.6 Ų39.647%0.46521%0.206SC..G310 helixtrans-65.7-11.9174.3-65.1-169.6173.7-168.70114M331 D332 S517 W524M331-K519 CarbonylContact C-O 3.58Å; M331-K519 WeakPolarHBondContact CA-O 3.33Å; D332-K519 HydrophobicContact CB-CB 4.43Å; D332-K519 PolarHBondContact N-O 3.39Å; S517-K519 PolarHBondContact O-N 3.32Å; S517-K519 PolarHBondContact OG-N 2.9Å; K519-W524 HydrophobicContact CG-CZ2 3.99Å
520E97.3Very high96.2Very high74 Ų7440.7 Ų40.735%0.34621%0.212SC..G310 helixtrans-95.31172.1-60.4157.7-126.400112R515 Q516 S517 I518R515-E520 VanDerWaalsContact CA-OE2 3.26Å; R515-E520 WeakPolarHBondContact CA-OE2 3.44Å; R515-E520 HydrophobicContact CB-CB 3.94Å; R515-E520 WeakPolarHBondContact CD-O 3.23Å; R515-E520 HydrophobicContact CG-CB 3.81Å; R515-E520 WeakPolarHBondContact CG-O 3.34Å; Q516-E520 PolarHBondContact N-OE1 2.76Å; Q516-E520 PolarHBondContact N-OE2 3.24Å; S517-E520 WeakPolarHBondContact CB-OE1 3.12Å; S517-E520 PolarHBondContact N-OE1 3.44Å; S517-E520 WeakPolarHBondContact O-CB 3.33Å; S517-E520 PolarHBondContact O-N 2.99Å; I518-E520 PolarHBondContact O-N 2.98Å; I518-E520 VanDerWaalsContact O-N 3.16Å
521T98Very high96.4Very high0 Ų041.3 Ų41.30%021%0.213CC..SBendtrans-85.4143.3176.472.40000110.9M331 S504 W509 I518 C523M331-T521 WeakPolarHBondContact CA-O 3.2Å; M331-T521 PolarHBondContact N-O 2.78Å; S504-T521 WeakPolarHBondContact OG-CB 3.49Å; S504-T521 WeakPolarHBondContact OG-CG2 3.41Å; S504-T521 PolarHBondContact OG-OG1 3.25Å; W509-T521 HydrophobicContact CB-CG2 4.04Å; W509-T521 HydrophobicContact CE3-CG2 4.09Å; I518-T521 HydrophobicContact CG1-CG2 4.37Å; I518-T521 VanDerWaalsContact O-CB 3.3Å; I518-T521 WeakPolarHBondContact O-CB 3.4Å; I518-T521 WeakPolarHBondContact O-CG2 3.2Å; I518-T521 PolarHBondContact O-N 3.49Å; I518-T521 PolarHBondContact O-OG1 3.01Å; T521-C523 VanDerWaalsContact C-N 3.31Å; T521-C523 PolarHBondContact O-N 2.96Å
522P97.9Very high96.8Very high13 Ų1337.4 Ų37.48%0.08419%0.187CC..SBendtrans-66-30.2-17023.9-34.3000114.1E330 I376 A379 K507E330-P522 VanDerWaalsContact CA-O 3.31Å; E330-P522 WeakPolarHBondContact CA-O 3.33Å; I376-P522 HydrophobicContact CB-CB 4.39Å; I376-P522 HydrophobicContact CG1-CB 3.96Å; I376-P522 WeakPolarHBondContact CG2-O 3.45Å; A379-P522 HydrophobicContact CB-CB 3.61Å; A379-P522 HydrophobicContact CB-CG 3.36Å; K507-P522 HydrophobicContact CB-CG 4.39Å; K507-P522 HydrophobicContact CG-CG 3.88Å
523C98.1Very high97.1Very high0 Ų035 Ų350%017%0.174CC..SBendtrans-156.1119.2-17750.60000110.4Y328 F329 R380 I383 S504 F505 T521Y328-C523 HydrophobicContact CE2-CB 3.92Å; Y328-C523 WeakPolarHBondContact OH-CB 3.28Å; F329-C523 WeakPolarHBondContact O-CA 3.47Å; R380-C523 HydrophobicContact CG-CB 4.37Å; I383-C523 HydrophobicContact CD1-CB 4.4Å; S504-C523 PolarHBondContact OG-O 2.97Å; F505-C523 PolarHBondContact N-O 3.16Å; F505-C523 VanDerWaalsContact N-O 3.12Å; T521-C523 VanDerWaalsContact C-N 3.31Å; T521-C523 PolarHBondContact O-N 2.96Å
524W98.8Very high97.2Very high2 Ų235.1 Ų35.11%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-148.7166.1-177.264.9-80.1000111.9Y328 F329 M331 R502 M503 I518 K519 E526Y328-W524 VanDerWaalsContact CD2-O 3.29Å; Y328-W524 WeakPolarHBondContact CD2-O 3.43Å; F329-W524 HydrophobicContact CB-CD2 3.85Å; F329-W524 HydrophobicContact CB-CG 4.12Å; F329-W524 HydrophobicContact CB-CH2 4.42Å; F329-W524 HydrophobicContact CB-CZ2 3.66Å; F329-W524 VanDerWaalsContact CB-NE1 3.33Å; F329-W524 HydrophobicContact CD1-CH2 4.31Å; F329-W524 AromaticContact CD1-CZ2 3.83Å; F329-W524 HydrophobicContact CD1-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CD2 4.35Å; F329-W524 HydrophobicContact CD2-CE3 4.27Å; F329-W524 AromaticContact CD2-CH2 3.75Å; F329-W524 HydrophobicContact CD2-CH2 3.75Å; F329-W524 AromaticContact CD2-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CZ2 3.83Å; F329-W524 HydrophobicContact CD2-CZ3 4Å; F329-W524 HydrophobicContact CE1-CZ2 4.43Å; F329-W524 HydrophobicContact CE2-CH2 4.01Å; F329-W524 HydrophobicContact CE2-CZ2 4.43Å; F329-W524 HydrophobicContact CE2-CZ3 4.36Å; F329-W524 HydrophobicContact CG-CD2 4.33Å; F329-W524 AromaticContact CG-CE2 3.75Å; F329-W524 AromaticContact CG-CH2 3.92Å; F329-W524 HydrophobicContact CG-CH2 3.92Å; F329-W524 AromaticContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ2 3.51Å; F329-W524 HydrophobicContact CG-CZ3 4.5Å; F329-W524 HydrophobicContact CZ-CH2 4.42Å; F329-W524 PolarHBondContact N-O 3.29Å; F329-W524 PolarHBondContact O-N 2.94Å; M331-W524 PolarHBondContact O-NE1 3.42Å; R502-W524 HydrophobicContact CG-CZ3 4.17Å; M503-W524 CarbonylContact O-C 3.46Å; M503-W524 VanDerWaalsContact O-CA 3.25Å; M503-W524 WeakPolarHBondContact O-CA 3.44Å; M503-W524 VanDerWaalsContact O-CB 3.26Å; M503-W524 WeakPolarHBondContact O-CB 3.4Å; I518-W524 HydrophobicContact CD1-CB 4.04Å; I518-W524 HydrophobicContact CD1-CD2 3.91Å; I518-W524 HydrophobicContact CD1-CE3 3.59Å; I518-W524 HydrophobicContact CD1-CG 4.13Å; I518-W524 HydrophobicContact CD1-CZ3 4.36Å; I518-W524 HydrophobicContact CG1-CB 4.04Å; I518-W524 HydrophobicContact CG1-CD2 3.87Å; I518-W524 HydrophobicContact CG1-CE3 4.04Å; I518-W524 HydrophobicContact CG1-CG 3.88Å; I518-W524 HydrophobicContact CG2-CD2 4.41Å; I518-W524 HydrophobicContact CG2-CE3 4.29Å; I518-W524 HydrophobicContact CG2-CH2 4.41Å; I518-W524 HydrophobicContact CG2-CZ3 4.27Å; I518-W524 PolarHBondContact O-NE1 3.24Å; K519-W524 HydrophobicContact CG-CZ2 3.99Å; W524-E526 HydrophobicContact CZ3-CB 3.94Å
525I98.8Very high97.3Very high0 Ų030.1 Ų30.10%014%0.144CC..EExtended strand (participates in β ladder)trans-128145.5177.349.3171.1000111.9I326 A327 Y328 V350 R502 M503 F505 I527I326-I525 HydrophobicContact CG2-CB 3.89Å; I326-I525 HydrophobicContact CG2-CD1 4.11Å; I326-I525 HydrophobicContact CG2-CG2 3.88Å; A327-I525 CarbonylContact O-C 3.55Å; A327-I525 VanDerWaalsContact O-CA 3.27Å; A327-I525 WeakPolarHBondContact O-CA 3.35Å; Y328-I525 HydrophobicContact CD2-CG2 3.9Å; Y328-I525 HydrophobicContact CG-CG2 4.48Å; V350-I525 HydrophobicContact CB-CD1 4.46Å; V350-I525 HydrophobicContact CG1-CD1 4.23Å; V350-I525 HydrophobicContact CG2-CD1 4.34Å; R502-I525 WeakPolarHBondContact CA-O 3.47Å; M503-I525 HydrophobicContact CB-CG1 4.02Å; M503-I525 HydrophobicContact CE-CD1 3.86Å; M503-I525 HydrophobicContact CE-CG1 4.41Å; M503-I525 HydrophobicContact CG-CD1 4.37Å; M503-I525 HydrophobicContact CG-CG1 4.03Å; M503-I525 PolarHBondContact N-O 3.43Å; M503-I525 PolarHBondContact O-N 2.74Å; M503-I525 HydrophobicContact SD-CD1 4.46Å; F505-I525 HydrophobicContact CE2-CD1 4.22Å; F505-I525 HydrophobicContact CE2-CG1 4Å; F505-I525 HydrophobicContact CE2-CG2 4.17Å; F505-I525 HydrophobicContact CZ-CD1 3.96Å; F505-I525 HydrophobicContact CZ-CG1 4.22Å; I525-I527 HydrophobicContact CD1-CD1 4.03Å; I525-I527 HydrophobicContact CD1-CG1 4.41Å; I525-I527 HydrophobicContact CG1-CD1 4.02Å
526E98.8Very high97.1Very high25 Ų2527.9 Ų27.912%0.11714%0.136CC..EExtended strand (participates in β ladder)trans-110.7126.8169.4-172.1168.475.800109.3I326 A327 F329 I500 R502 W524 H528I326-E526 CarbonylContact C-O 3.59Å; I326-E526 WeakPolarHBondContact CA-O 3.36Å; A327-E526 PolarHBondContact N-O 3.18Å; A327-E526 PolarHBondContact O-N 2.96Å; F329-E526 HydrophobicContact CE2-CB 4.01Å; I500-E526 HydrophobicContact CG2-CG 3.54Å; R502-E526 HydrophobicContact CG-CB 4.49Å; R502-E526 HydrophobicContact CG-CG 4.13Å; R502-E526 IonicContact CZ-OE2 2.72Å; R502-E526 IonicContact NE-OE2 2.74Å; R502-E526 PolarHBondContact NE-OE2 2.95Å; R502-E526 IonicContact NH2-OE2 3.93Å; R502-E526 PolarHBondContact NH2-OE2 2.58Å; W524-E526 HydrophobicContact CZ3-CB 3.94Å; E526-H528 IonicContact OE1-CE1 3.71Å; E526-H528 PolarHBondContact OE1-CE1 2.91Å; E526-H528 VanDerWaalsContact OE1-CE1 3.27Å
527I98.8Very high97Very high1 Ų126.4 Ų26.41%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-115.8114.8-176.7-50.388000108.4C324 I326 L389 I500 L501 M503 I525 L529C324-I527 HydrophobicContact CB-CG2 3.84Å; I326-I527 HydrophobicContact CG1-CG1 4.26Å; I326-I527 HydrophobicContact CG1-CG2 4.24Å; I326-I527 HydrophobicContact CG2-CG1 4.38Å; L389-I527 HydrophobicContact CD1-CG1 3.97Å; L389-I527 HydrophobicContact CD1-CG2 4.32Å; I500-I527 WeakPolarHBondContact CA-O 3.32Å; L501-I527 HydrophobicContact CB-CB 4.27Å; L501-I527 HydrophobicContact CB-CD1 4.18Å; L501-I527 PolarHBondContact N-O 2.93Å; L501-I527 PolarHBondContact O-N 3.22Å; M503-I527 HydrophobicContact CB-CD1 4.47Å; M503-I527 HydrophobicContact CE-CD1 4.31Å; I525-I527 HydrophobicContact CD1-CD1 4.03Å; I525-I527 HydrophobicContact CD1-CG1 4.41Å; I525-I527 HydrophobicContact CG1-CD1 4.02Å; I527-L529 HydrophobicContact CG2-CD2 3.97Å
528H98.5Very high96.7Very high26 Ų2627.8 Ų27.812%0.1213%0.133CC..EExtended strand (participates in β ladder)trans-91.4124.6172.5-73.874.7000109.7C324 S325 R496 E526 H530 L533C324-H528 CarbonylContact C-O 3.6Å; C324-H528 WeakPolarHBondContact CA-O 3.48Å; C324-H528 VanDerWaalsContact CB-O 3.23Å; C324-H528 WeakPolarHBondContact CB-O 3.42Å; S325-H528 PolarHBondContact N-O 2.96Å; S325-H528 PolarHBondContact O-N 3.3Å; R496-H528 PolarHBondContact NH2-CD2 3.34Å; R496-H528 VanDerWaalsContact NH2-CD2 3.3Å; R496-H528 PolarHBondContact NH2-NE2 3.33Å; E526-H528 IonicContact OE1-CE1 3.71Å; E526-H528 PolarHBondContact OE1-CE1 2.91Å; E526-H528 VanDerWaalsContact OE1-CE1 3.27Å; H528-H530 PolarHBondContact O-CD2 3.32Å; H528-L533 HydrophobicContact CB-CD1 4.14Å
529L98.4Very high96.4Very high6 Ų628 Ų283%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-94.1111.4-179.3-57.1-179.6000110.5W323 C324 V397 F438 C499 L501 I527 A532 L533W323-L529 HydrophobicContact CE3-CD2 4.47Å; W323-L529 HydrophobicContact CZ3-CD2 4.16Å; C324-L529 HydrophobicContact CB-CD2 4.02Å; V397-L529 HydrophobicContact CG2-CD1 3.88Å; V397-L529 HydrophobicContact CG2-CD2 3.77Å; V397-L529 HydrophobicContact CG2-CG 4.49Å; F438-L529 HydrophobicContact CB-CD1 4.15Å; F438-L529 HydrophobicContact CD1-CD1 3.53Å; F438-L529 HydrophobicContact CD2-CD1 3.61Å; F438-L529 HydrophobicContact CE1-CD1 3.71Å; F438-L529 HydrophobicContact CE2-CD1 3.79Å; F438-L529 HydrophobicContact CG-CD1 3.48Å; F438-L529 VanDerWaalsContact CG-CD1 3.48Å; F438-L529 HydrophobicContact CZ-CD1 3.83Å; C499-L529 WeakPolarHBondContact O-CB 3.32Å; C499-L529 PolarHBondContact O-N 2.9Å; L501-L529 HydrophobicContact CD1-CD1 4.13Å; L501-L529 HydrophobicContact CG-CD1 4.35Å; I527-L529 HydrophobicContact CG2-CD2 3.97Å; L529-A532 HydrophobicContact CB-CB 4.05Å; L529-A532 PolarHBondContact O-N 3.32Å; L529-L533 WeakPolarHBondContact O-CG 3.41Å; L529-L533 PolarHBondContact O-N 3.09Å
530H97.8Very high95.9Very high41 Ų4125 Ų2519%0.1912%0.123CC..Hα-helixtrans-72.3-37.1-166.3-71.7-159000112.4P320 Y322 W323 S325 H528 A532 L533 Q534P320-H530 HydrophobicContact CB-CB 3.97Å; P320-H530 HydrophobicContact CG-CB 3.94Å; Y322-H530 WeakPolarHBondContact O-CB 3.49Å; Y322-H530 PolarHBondContact O-ND1 3.05Å; W323-H530 PolarHBondContact O-N 3.32Å; S325-H530 WeakPolarHBondContact CB-NE2 3.34Å; S325-H530 PolarHBondContact N-NE2 3.48Å; S325-H530 PolarHBondContact OG-NE2 3.02Å; H528-H530 PolarHBondContact O-CD2 3.32Å; H530-A532 VanDerWaalsContact C-N 3.32Å; H530-A532 PolarHBondContact O-N 3.23Å; H530-L533 PolarHBondContact O-N 3.34Å; H530-Q534 WeakPolarHBondContact O-CG 3.5Å; H530-Q534 PolarHBondContact O-N 2.84Å
531R97.1Very high95.3Very high19 Ų1928.2 Ų28.27%0.07214%0.138CC..Hα-helixtrans-64.3-36.9174.4-175.757.1171.7-173.2-2.8112.3S315 H317 E394 L440 Q534 L535S315-R531 PolarHBondContact O-NH2 3.02Å; H317-R531 PolarHBondContact O-NH1 2.95Å; E394-R531 HydrophobicContact CG-CG 4.48Å; E394-R531 IonicContact OE1-CZ 3.16Å; E394-R531 IonicContact OE1-NE 3.21Å; E394-R531 PolarHBondContact OE1-NE 3.03Å; E394-R531 VanDerWaalsContact OE1-NE 3.16Å; E394-R531 IonicContact OE1-NH2 2.72Å; E394-R531 PolarHBondContact OE1-NH2 2.91Å; L440-R531 HydrophobicContact CD1-CB 4.43Å; L440-R531 HydrophobicContact CD1-CG 4.13Å; L440-R531 HydrophobicContact CD2-CG 3.63Å; R531-Q534 VanDerWaalsContact CD-OE1 3.25Å; R531-Q534 PolarHBondContact O-N 3.28Å; R531-L535 WeakPolarHBondContact O-CG 3.39Å; R531-L535 PolarHBondContact O-N 3.48Å; R531-L535 VanDerWaalsContact O-N 3.13Å
532A96.8Very high94.4Very high1 Ų133.1 Ų33.11%0.00817%0.168CC..Hα-helixtrans-67.7-38.8174.600000111.7F438 L440 M447 C499 L529 H530 L535 L536F438-A532 HydrophobicContact CE1-CB 4.42Å; F438-A532 HydrophobicContact CZ-CB 3.76Å; L440-A532 HydrophobicContact CD1-CB 3.99Å; M447-A532 HydrophobicContact CE-CB 4.44Å; C499-A532 HydrophobicContact CB-CB 4.01Å; L529-A532 HydrophobicContact CB-CB 4.05Å; L529-A532 PolarHBondContact O-N 3.32Å; H530-A532 VanDerWaalsContact C-N 3.32Å; H530-A532 PolarHBondContact O-N 3.23Å; A532-L535 PolarHBondContact O-N 3.46Å; A532-L536 WeakPolarHBondContact O-CB 3.34Å; A532-L536 PolarHBondContact O-N 3.18Å
533L96.4Very high93.2Very high41 Ų4135.1 Ų35.122%0.21518%0.177CC..Hα-helixtrans-65.8-37.2174.4-70.5166.1000112.7R496 C499 H528 L529 H530 L536 D537R496-L533 HydrophobicContact CG-CD2 4.12Å; C499-L533 HydrophobicContact CB-CD2 3.64Å; C499-L533 HydrophobicContact CB-CG 3.75Å; H528-L533 HydrophobicContact CB-CD1 4.14Å; L529-L533 WeakPolarHBondContact O-CG 3.41Å; L529-L533 PolarHBondContact O-N 3.09Å; H530-L533 PolarHBondContact O-N 3.34Å; L533-L536 PolarHBondContact O-N 2.59Å; L533-D537 PolarHBondContact O-N 3.22Å
534Q94.9Very high91.6Very high49 Ų4939.3 Ų39.323%0.22920%0.204CC..Hα-helixtrans-61.6-46.1172.2-73.9179.3-35.700111.8P318 H530 R531 L536 D537 E538P318-Q534 PolarHBondContact O-NE2 3.39Å; H530-Q534 WeakPolarHBondContact O-CG 3.5Å; H530-Q534 PolarHBondContact O-N 2.84Å; R531-Q534 VanDerWaalsContact CD-OE1 3.25Å; R531-Q534 PolarHBondContact O-N 3.28Å; Q534-L536 VanDerWaalsContact C-N 3.3Å; Q534-L536 PolarHBondContact O-N 2.81Å; Q534-D537 WeakPolarHBondContact O-CB 3.44Å; Q534-D537 PolarHBondContact O-N 3.1Å; Q534-E538 PolarHBondContact O-N 3.33Å
535L94.8Very high89.6Confident2 Ų246.5 Ų46.51%0.0124%0.241CC..Hα-helixtrans-66.1-33.8177.6-67.5175.4000112.1I314 S315 L440 H444 R531 A532 E538 V539I314-L535 HydrophobicContact CB-CD1 4.26Å; I314-L535 HydrophobicContact CB-CD2 4.43Å; I314-L535 HydrophobicContact CD1-CD1 4.18Å; I314-L535 HydrophobicContact CG2-CD1 3.83Å; I314-L535 HydrophobicContact CG2-CD2 3.9Å; S315-L535 VanDerWaalsContact CB-CD2 3.46Å; L440-L535 HydrophobicContact CD1-CD1 3.93Å; L440-L535 HydrophobicContact CD2-CD1 4.19Å; L440-L535 HydrophobicContact CG-CD1 3.95Å; H444-L535 HydrophobicContact CB-CD1 4.21Å; R531-L535 WeakPolarHBondContact O-CG 3.39Å; R531-L535 PolarHBondContact O-N 3.48Å; R531-L535 VanDerWaalsContact O-N 3.13Å; A532-L535 PolarHBondContact O-N 3.46Å; L535-E538 PolarHBondContact O-N 3.39Å; L535-V539 WeakPolarHBondContact O-CG2 3.44Å; L535-V539 PolarHBondContact O-N 2.97Å
536L93.8Very high87.5Confident7 Ų751 Ų514%0.03728%0.278CS..Hα-helixtrans-64-44.6171.8176.956.2000111.6M447 L495 R496 A532 L533 Q534 E538 V539 L540M447-L536 HydrophobicContact CE-CB 3.89Å; M447-L536 HydrophobicContact CG-CD1 4.46Å; M447-L536 HydrophobicContact SD-CB 4.15Å; L495-L536 HydrophobicContact CB-CD1 3.54Å; L495-L536 HydrophobicContact CB-CD2 4.21Å; L495-L536 HydrophobicContact CD1-CD1 4.02Å; L495-L536 HydrophobicContact CG-CD1 4.35Å; R496-L536 HydrophobicContact CB-CD2 4.14Å; A532-L536 WeakPolarHBondContact O-CB 3.34Å; A532-L536 PolarHBondContact O-N 3.18Å; L533-L536 PolarHBondContact O-N 2.59Å; Q534-L536 VanDerWaalsContact C-N 3.3Å; Q534-L536 PolarHBondContact O-N 2.81Å; L536-E538 VanDerWaalsContact C-N 3.32Å; L536-E538 PolarHBondContact O-N 3.21Å; L536-V539 PolarHBondContact O-N 3.35Å; L536-L540 HydrophobicContact CD1-CD1 4.03Å; L536-L540 HydrophobicContact CD1-CG 4.02Å; L536-L540 HydrophobicContact CG-CD1 3.95Å; L536-L540 HydrophobicContact CG-CG 4.4Å; L536-L540 VanDerWaalsContact O-CG 3.28Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 2.82Å
537D91.3Very high84.9Confident90 Ų9056.2 Ų56.248%0.48131%0.307SS..Hα-helixtrans-60.1-42.6176.7-169.475.9000111.4L533 Q534 L540 H541L533-D537 PolarHBondContact O-N 3.22Å; Q534-D537 WeakPolarHBondContact O-CB 3.44Å; Q534-D537 PolarHBondContact O-N 3.1Å; D537-L540 PolarHBondContact O-N 3.05Å; D537-H541 PolarHBondContact O-N 3.27Å; D537-H541 PolarHBondContact O-ND1 2.87Å; D537-H541 IonicContact OD1-CE1 3.79Å; D537-H541 PolarHBondContact OD1-CE1 3.42Å; D537-H541 IonicContact OD1-ND1 2.58Å; D537-H541 IonicContact OD2-CE1 3.45Å; D537-H541 PolarHBondContact OD2-CE1 3.24Å; D537-H541 IonicContact OD2-ND1 3.15Å; D537-H541 PolarHBondContact OD2-ND1 3.27Å
538E90.6Very high82.4Confident76 Ų7661.9 Ų61.936%0.35534%0.344SS..Hα-helixtrans-58.9-48.7172.6-170177.3156.400111.7S315 Q534 L535 L536 L540 H541 T542S315-E538 WeakPolarHBondContact CB-OE2 3.44Å; S315-E538 PolarHBondContact OG-OE2 3.35Å; Q534-E538 PolarHBondContact O-N 3.33Å; L535-E538 PolarHBondContact O-N 3.39Å; L536-E538 VanDerWaalsContact C-N 3.32Å; L536-E538 PolarHBondContact O-N 3.21Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3.37Å; E538-H541 PolarHBondContact O-N 3.31Å; E538-T542 WeakPolarHBondContact O-CG2 3.37Å; E538-T542 PolarHBondContact O-N 2.91Å; E538-T542 VanDerWaalsContact O-N 3.1Å
539V89.8Confident79.9Confident7 Ų769 Ų694%0.04238%0.377CS..Hα-helixtrans-59.5-42.3177.1168.90000111.8Q448 A451 L535 L536 T542 M543Q448-V539 HydrophobicContact CG-CG2 3.83Å; A451-V539 HydrophobicContact CB-CG1 3.63Å; L535-V539 WeakPolarHBondContact O-CG2 3.44Å; L535-V539 PolarHBondContact O-N 2.97Å; L536-V539 PolarHBondContact O-N 3.35Å; V539-T542 PolarHBondContact O-N 3.22Å; V539-T542 PolarHBondContact O-OG1 3.4Å; V539-M543 PolarHBondContact O-N 3.25Å
540L87.4Confident77.1Confident45 Ų4573.3 Ų73.324%0.23641%0.406CS..Hα-helixtrans-66.9-38.2179-68.9170.7000112.3V492 L495 L536 D537 E538 T542 M543V492-L540 HydrophobicContact CG1-CD1 3.82Å; V492-L540 HydrophobicContact CG2-CD1 4.38Å; V492-L540 HydrophobicContact CG2-CD2 4.02Å; L495-L540 HydrophobicContact CD1-CD2 4.03Å; L536-L540 HydrophobicContact CD1-CD1 4.03Å; L536-L540 HydrophobicContact CD1-CG 4.02Å; L536-L540 HydrophobicContact CG-CD1 3.95Å; L536-L540 HydrophobicContact CG-CG 4.4Å; L536-L540 VanDerWaalsContact O-CG 3.28Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 2.82Å; D537-L540 PolarHBondContact O-N 3.05Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3.37Å; L540-T542 VanDerWaalsContact C-N 3.27Å; L540-T542 PolarHBondContact O-N 3.38Å; L540-M543 HydrophobicContact CD2-CE 4.31Å; L540-M543 HydrophobicContact CD2-SD 4.28Å; L540-M543 WeakPolarHBondContact O-CB 3.46Å; L540-M543 PolarHBondContact O-N 2.78Å
541H84.6Confident74.6Confident141 Ų14178.5 Ų78.565%0.65343%0.434SS*.Hα-helixtrans-68.8-23.1174.2-7599.3000113.5D537 E538D537-H541 PolarHBondContact O-N 3.27Å; D537-H541 PolarHBondContact O-ND1 2.87Å; D537-H541 IonicContact OD1-CE1 3.79Å; D537-H541 PolarHBondContact OD1-CE1 3.42Å; D537-H541 IonicContact OD1-ND1 2.58Å; D537-H541 IonicContact OD2-CE1 3.45Å; D537-H541 PolarHBondContact OD2-CE1 3.24Å; D537-H541 IonicContact OD2-ND1 3.15Å; D537-H541 PolarHBondContact OD2-ND1 3.27Å; E538-H541 PolarHBondContact O-N 3.31Å
542T79.8Confident72.2Confident104 Ų10487.9 Ų87.964%0.63849%0.486SS*.THydrogen-bonded Turntrans-82-9173.962.20000114.6E538 V539 L540E538-T542 WeakPolarHBondContact O-CG2 3.37Å; E538-T542 PolarHBondContact O-N 2.91Å; E538-T542 VanDerWaalsContact O-N 3.1Å; V539-T542 PolarHBondContact O-N 3.22Å; V539-T542 PolarHBondContact O-OG1 3.4Å; L540-T542 VanDerWaalsContact C-N 3.27Å; L540-T542 PolarHBondContact O-N 3.38Å
543M72.8Confident71Confident54 Ų5492.2 Ų92.227%0.26651%0.51SS..SBendtrans-65.9133.8170.5-69.8-171.6168.800109.7A451 V539 L540 I545A451-M543 HydrophobicContact CB-CE 3.36Å; V539-M543 PolarHBondContact O-N 3.25Å; L540-M543 HydrophobicContact CD2-CE 4.31Å; L540-M543 HydrophobicContact CD2-SD 4.28Å; L540-M543 WeakPolarHBondContact O-CB 3.46Å; L540-M543 PolarHBondContact O-N 2.78Å; M543-I545 PolarHBondContact O-N 3.1Å
544P64.2Low69.6Low88 Ų8894.9 Ų94.957%0.57153%0.525SS*.PPolyproline II helixtrans-56.1128.6175.6-26.236.4000111Q455 A546Q455-P544 VanDerWaalsContact NE2-CD 3.3Å; P544-A546 PolarHBondContact O-N 3.12Å
545I57Low68.2Low153 Ų15397.4 Ų97.479%0.78554%0.541SS*.PPolyproline II helixtrans-55.4132.2165.7-61.1172.5000106.7M543 D547M543-I545 PolarHBondContact O-N 3.1Å; I545-D547 PolarHBondContact O-N 3.16Å
546A53.8Low66.7Low95 Ų95103.1 Ų103.179%0.78557%0.573SS**  trans-71.575.8177.400000110.1P544P544-A546 PolarHBondContact O-N 3.12Å
547D44.6Very low65Low134 Ų134109.1 Ų109.172%0.71761%0.606SS**  trans-55.9128.1166.1-97.8-28.7000108I545 Q549I545-D547 PolarHBondContact O-N 3.16Å; D547-Q549 PolarHBondContact O-N 3.16Å
548P46.5Very low63.2Low121 Ų121110.3 Ų110.379%0.78662%0.615SS**  trans-64.4100.4176.7-18.431000109.3P550P548-P550 WeakPolarHBondContact O-CD 3.24Å
549Q45Very low61.3Low174 Ų174112.8 Ų112.881%0.81363%0.633SS**  trans-64.3123.1167.3-73.9-139.7-5300108.2D547 L551D547-Q549 PolarHBondContact O-N 3.16Å; Q549-L551 PolarHBondContact O-N 3.31Å
550P41Very low59.1Low98 Ų98120.9 Ų120.964%0.63668%0.678SS**  trans-61.6132.3168.827.1-32.4000108.5P548 D552P548-P550 WeakPolarHBondContact O-CD 3.24Å; P550-D552 VanDerWaalsContact C-N 3.29Å; P550-D552 PolarHBondContact O-N 2.58Å; P550-D552 VanDerWaalsContact O-N 3.16Å
551L44.6Very low56.7Low150 Ų150127.3 Ų127.379%0.78572%0.715SS**  trans-84.278.3172.4-67.4169.7000108A466 Q549A466-L551 HydrophobicContact CB-CD2 3.67Å; Q549-L551 PolarHBondContact O-N 3.31Å
552D46.8Very low54.2Low215 Ų215126 Ų126100%1.1572%0.721SS**  trans-95.90172.7-70.2-36.7000111.6P550P550-D552 VanDerWaalsContact C-N 3.29Å; P550-D552 PolarHBondContact O-N 2.58Å; P550-D552 VanDerWaalsContact O-N 3.16Å

Retrieved 552 of 552 residues in 87 ms (Link to these results)

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