A0A077YZZ1_TRITR Loading...

6PF2K and His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 637 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
1M87.4Confident89.3Confident54 Ų5439 Ų3927%0.26619%0.191SC..  0-45.70-91-58.9-66.900114.2E3 T4 V5 C20 Y38 I91M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.12Å; M1-T4 WeakPolarHBondContact O-CA 3.29Å; M1-T4 WeakPolarHBondContact O-CB 3.44Å; M1-T4 PolarHBondContact O-N 3.11Å; M1-V5 PolarHBondContact O-N 3.12Å; M1-C20 WeakPolarHBondContact CE-O 3.16Å; M1-Y38 WeakPolarHBondContact CB-O 3.44Å; M1-Y38 HydrophobicContact CG-CD2 3.95Å; M1-Y38 HydrophobicContact CG-CG 4.33Å; M1-Y38 WeakPolarHBondContact CG-O 3.31Å; M1-I91 HydrophobicContact CB-CD1 3.8Å; M1-I91 HydrophobicContact CB-CG1 4.03Å
2A90.8Very high88.6Confident2 Ų240.7 Ų40.72%0.01723%0.226CC..Hα-helixtrans-48.2-44.617800000113.9T4 V5 L6 V76 I87 I90 I91A2-T4 PolarHBondContact O-N 3.3Å; A2-T4 VanDerWaalsContact O-N 3.14Å; A2-V5 PolarHBondContact O-N 2.89Å; A2-V5 VanDerWaalsContact O-N 3.08Å; A2-L6 PolarHBondContact O-N 3.43Å; A2-V76 HydrophobicContact CB-CG1 4.28Å; A2-V76 HydrophobicContact CB-CG2 4.32Å; A2-I87 HydrophobicContact CB-CG2 3.95Å; A2-I90 HydrophobicContact CB-CB 4.2Å; A2-I90 HydrophobicContact CB-CD1 4.45Å; A2-I90 HydrophobicContact CB-CG2 3.86Å; A2-I91 HydrophobicContact CB-CG1 4.35Å
3E91.8Very high87.9Confident20 Ų2041 Ų419%0.09323%0.227CC..Hα-helixtrans-49.2-42173.1-64.1177.4-173.700112.9M1 M7 R69 R73M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.12Å; E3-M7 WeakPolarHBondContact O-CB 3.17Å; E3-M7 PolarHBondContact O-N 3.46Å; E3-R69 WeakPolarHBondContact OE2-CG 3.29Å; E3-R69 IonicContact OE2-NH1 3.96Å; E3-R69 PolarHBondContact OE2-NH1 3.06Å; E3-R73 HydrophobicContact CG-CB 4.36Å; E3-R73 VanDerWaalsContact OE1-CB 3.31Å; E3-R73 WeakPolarHBondContact OE1-CB 3.38Å; E3-R73 WeakPolarHBondContact OE1-CG 3.39Å; E3-R73 IonicContact OE1-NE 3.75Å; E3-R73 PolarHBondContact OE1-NE 2.69Å; E3-R73 VanDerWaalsContact OE1-NE 3.08Å
4T89.6Confident87.3Confident22 Ų2243.5 Ų43.514%0.13524%0.239CC..Hα-helixtrans-74.6-33.8-176-58.40000111.8M1 A2 N8 C20 R69M1-T4 WeakPolarHBondContact O-CA 3.29Å; M1-T4 WeakPolarHBondContact O-CB 3.44Å; M1-T4 PolarHBondContact O-N 3.11Å; A2-T4 PolarHBondContact O-N 3.3Å; A2-T4 VanDerWaalsContact O-N 3.14Å; T4-N8 PolarHBondContact O-N 3.49Å; T4-N8 VanDerWaalsContact O-N 3.13Å; T4-N8 PolarHBondContact O-ND2 3.42Å; T4-C20 HydrophobicContact CG2-CB 3.98Å; T4-R69 PolarHBondContact OG1-NH1 3.23Å; T4-R69 VanDerWaalsContact OG1-NH1 3.09Å; T4-R69 PolarHBondContact OG1-NH2 3Å
5V91.5Very high86.6Confident6 Ų647.1 Ų47.14%0.03625%0.253CS..Hα-helixtrans-63.1-53.4173174.90000109.6M1 A2 M7 N8 L9 L17 T21 I90M1-V5 PolarHBondContact O-N 3.12Å; A2-V5 PolarHBondContact O-N 2.89Å; A2-V5 VanDerWaalsContact O-N 3.08Å; V5-M7 VanDerWaalsContact C-N 3.33Å; V5-M7 PolarHBondContact O-N 2.98Å; V5-N8 PolarHBondContact O-N 3.35Å; V5-L9 WeakPolarHBondContact O-CB 3.28Å; V5-L9 PolarHBondContact O-N 3.02Å; V5-L17 HydrophobicContact CB-CD2 4.38Å; V5-L17 HydrophobicContact CG1-CD2 4.11Å; V5-T21 HydrophobicContact CG2-CG2 3.83Å; V5-I90 HydrophobicContact CB-CG2 3.99Å; V5-I90 HydrophobicContact CG1-CG2 4.01Å
6L92.3Very high86.1Confident23 Ų2350.9 Ų50.912%0.1226%0.263CS..Hα-helixtrans-61.6-41.2179.4-65.4178.6000112.1A2 N8 L9 L10 L72 F75 V76 I90A2-L6 PolarHBondContact O-N 3.43Å; L6-N8 VanDerWaalsContact C-N 3.34Å; L6-N8 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 3.25Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.36Å; L6-L10 PolarHBondContact O-N 3.07Å; L6-L72 HydrophobicContact CB-CD2 4.42Å; L6-F75 HydrophobicContact CD1-CD1 3.7Å; L6-F75 HydrophobicContact CD1-CE1 3.77Å; L6-V76 HydrophobicContact CD1-CG2 3.61Å; L6-I90 HydrophobicContact CD1-CD1 4.21Å; L6-I90 HydrophobicContact CD2-CG2 4.19Å; L6-I90 HydrophobicContact CG-CG2 4.06Å
7M91.9Very high85.9Confident14 Ų1448 Ų487%0.06925%0.248CC..Hα-helixtrans-60.8-42.5178.7-167.8-170.766.600112.1E3 V5 R11 Y68 L72E3-M7 WeakPolarHBondContact O-CB 3.17Å; E3-M7 PolarHBondContact O-N 3.46Å; V5-M7 VanDerWaalsContact C-N 3.33Å; V5-M7 PolarHBondContact O-N 2.98Å; M7-R11 WeakPolarHBondContact O-CB 3.43Å; M7-R11 WeakPolarHBondContact O-CD 3.4Å; M7-R11 WeakPolarHBondContact O-CG 3.25Å; M7-R11 PolarHBondContact O-N 3.31Å; M7-Y68 HydrophobicContact CB-CE1 4.46Å; M7-Y68 HydrophobicContact CG-CD1 3.81Å; M7-Y68 HydrophobicContact CG-CE1 3.56Å; M7-Y68 HydrophobicContact SD-CD1 4.47Å; M7-L72 HydrophobicContact CB-CD1 3.41Å; M7-L72 VanDerWaalsContact CB-CD1 3.41Å; M7-L72 HydrophobicContact CG-CD1 3.82Å
8N87.8Confident85.3Confident2 Ų249.2 Ų49.21%0.01125%0.252CS..Hα-helixtrans-73.4-37.7178.5-72.4-36.6000111.4T4 V5 L6 R11 G12 D13 L17T4-N8 PolarHBondContact O-N 3.49Å; T4-N8 VanDerWaalsContact O-N 3.13Å; T4-N8 PolarHBondContact O-ND2 3.42Å; V5-N8 PolarHBondContact O-N 3.35Å; L6-N8 VanDerWaalsContact C-N 3.34Å; L6-N8 PolarHBondContact O-N 3.22Å; N8-R11 PolarHBondContact O-N 3.28Å; N8-G12 PolarHBondContact O-N 3.13Å; N8-D13 PolarHBondContact O-N 3.42Å; N8-L17 HydrophobicContact CB-CD2 3.83Å; N8-L17 HydrophobicContact CB-CG 4.31Å
9L88.3Confident84.6Confident80 Ų8052.8 Ų52.842%0.41926%0.262SS..Hα-helixtrans-60-50.7174.9-176.966.3000111.4V5 L6 R11 G12 L14V5-L9 WeakPolarHBondContact O-CB 3.28Å; V5-L9 PolarHBondContact O-N 3.02Å; L6-L9 PolarHBondContact O-N 3.25Å; L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3.34Å; L9-G12 PolarHBondContact O-N 3.27Å; L9-L14 HydrophobicContact CD1-CD2 3.81Å
10L86.6Confident84.4Confident108 Ų10851.6 Ų51.657%0.56526%0.259SS*.Hα-helixtrans-69.2-23.5-179.1-68.7169.3000113.5L6 G12 Y68 L72L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.36Å; L6-L10 PolarHBondContact O-N 3.07Å; L10-G12 VanDerWaalsContact C-N 3.29Å; L10-Y68 WeakPolarHBondContact CB-OH 3.25Å; L10-L72 HydrophobicContact CD1-CD2 3.37Å
11R84.1Confident84.2Confident98 Ų9849.3 Ų49.337%0.3725%0.247SC..THydrogen-bonded Turntrans-82.3-5.4171.7-74174178.4-177.9-3.4113.4M7 N8 L9 D13 Y68M7-R11 WeakPolarHBondContact O-CB 3.43Å; M7-R11 WeakPolarHBondContact O-CD 3.4Å; M7-R11 WeakPolarHBondContact O-CG 3.25Å; M7-R11 PolarHBondContact O-N 3.31Å; N8-R11 PolarHBondContact O-N 3.28Å; L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3.34Å; R11-D13 HydrophobicContact CB-CB 4.44Å; R11-D13 PolarHBondContact O-N 3.04Å; R11-Y68 HydrophobicContact CG-CE1 4.36Å
12G81.1Confident83.9Confident59 Ų5952.6 Ų52.661%0.60826%0.257SS*.THydrogen-bonded Turntrans67.214-171.300000114N8 L9 L10 L14N8-G12 PolarHBondContact O-N 3.13Å; L9-G12 PolarHBondContact O-N 3.27Å; L10-G12 VanDerWaalsContact C-N 3.29Å; G12-L14 PolarHBondContact O-N 2.9Å
13D80.1Confident83.4Confident45 Ų4555 Ų5524%0.24127%0.273CS..  trans-93.965.8-178.5-168.2-12.5000110.7N8 R11 H15 R16N8-D13 PolarHBondContact O-N 3.42Å; R11-D13 HydrophobicContact CB-CB 4.44Å; R11-D13 PolarHBondContact O-N 3.04Å; D13-H15 PolarHBondContact O-N 2.89Å; D13-R16 PolarHBondContact O-N 3.21Å; D13-R16 WeakPolarHBondContact OD1-CG 3.42Å; D13-R16 PolarHBondContact OD1-N 3.05Å; D13-R16 WeakPolarHBondContact OD2-CD 3.32Å; D13-R16 VanDerWaalsContact OD2-CG 3.3Å; D13-R16 WeakPolarHBondContact OD2-CG 3.42Å; D13-R16 IonicContact OD2-CZ 2.97Å; D13-R16 IonicContact OD2-NE 3.98Å; D13-R16 PolarHBondContact OD2-NE 3.33Å
14L79.5Confident82.8Confident76 Ų7659.1 Ų59.140%0.39829%0.294SS..Hα-helixtrans-65.4-26.7-179.7-63.1178.7000112.4L9 G12 R16 L17L9-L14 HydrophobicContact CD1-CD2 3.81Å; G12-L14 PolarHBondContact O-N 2.9Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 2.73Å; L14-L17 HydrophobicContact CD2-CD1 3.7Å; L14-L17 VanDerWaalsContact O-CB 3.31Å; L14-L17 WeakPolarHBondContact O-CB 3.38Å; L14-L17 PolarHBondContact O-N 3.3Å
15H75.8Confident82.1Confident98 Ų9859.1 Ų59.145%0.45430%0.295SS..Hα-helixtrans-60.6-36177.3-66.1-85.1000112.2D13 L17 H18 L103D13-H15 PolarHBondContact O-N 2.89Å; H15-L17 VanDerWaalsContact C-N 3.26Å; H15-L17 PolarHBondContact O-N 2.92Å; H15-H18 PolarHBondContact O-N 3.29Å; H15-L103 PolarHBondContact CE1-O 3.42Å; H15-L103 PolarHBondContact ND1-O 2.89Å
16R79.6Confident81Confident108 Ų10861.5 Ų61.541%0.40832%0.32SS..Hα-helixtrans-67.1-24.5176.2-80.3-174.2-173.5-171.4-4.2113.6D13 L14 H18 R19 C20D13-R16 PolarHBondContact O-N 3.21Å; D13-R16 WeakPolarHBondContact OD1-CG 3.42Å; D13-R16 PolarHBondContact OD1-N 3.05Å; D13-R16 WeakPolarHBondContact OD2-CD 3.32Å; D13-R16 VanDerWaalsContact OD2-CG 3.3Å; D13-R16 WeakPolarHBondContact OD2-CG 3.42Å; D13-R16 IonicContact OD2-CZ 2.97Å; D13-R16 IonicContact OD2-NE 3.98Å; D13-R16 PolarHBondContact OD2-NE 3.33Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 2.73Å; R16-H18 PolarHBondContact O-N 3.11Å; R16-R19 PolarHBondContact O-N 2.7Å; R16-R19 VanDerWaalsContact O-N 3.13Å; R16-C20 WeakPolarHBondContact O-CB 3.45Å; R16-C20 PolarHBondContact O-N 2.83Å; R16-C20 PolarHBondContact O-SG 3.4Å; R16-C20 VanDerWaalsContact O-SG 3.32Å
17L81.9Confident79.5Confident1 Ų164.4 Ų64.41%0.00533%0.333CS..Hα-helixtrans-58.1-36.8180-66.6178.1000111.7V5 N8 L14 H15 R19 C20 T21 L97 A98V5-L17 HydrophobicContact CB-CD2 4.38Å; V5-L17 HydrophobicContact CG1-CD2 4.11Å; N8-L17 HydrophobicContact CB-CD2 3.83Å; N8-L17 HydrophobicContact CB-CG 4.31Å; L14-L17 HydrophobicContact CD2-CD1 3.7Å; L14-L17 VanDerWaalsContact O-CB 3.31Å; L14-L17 WeakPolarHBondContact O-CB 3.38Å; L14-L17 PolarHBondContact O-N 3.3Å; H15-L17 VanDerWaalsContact C-N 3.26Å; H15-L17 PolarHBondContact O-N 2.92Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.06Å; L17-C20 PolarHBondContact O-N 3.44Å; L17-T21 HydrophobicContact CB-CG2 4.5Å; L17-T21 HydrophobicContact CD2-CG2 4.41Å; L17-T21 WeakPolarHBondContact O-CB 3.38Å; L17-T21 VanDerWaalsContact O-CG2 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.44Å; L17-T21 PolarHBondContact O-N 2.84Å; L17-T21 PolarHBondContact O-OG1 3.33Å; L17-L97 HydrophobicContact CD1-CB 4.15Å; L17-L97 HydrophobicContact CD1-CD1 4.46Å; L17-A98 HydrophobicContact CB-CB 4.17Å
18H75.2Confident77.9Confident69 Ų6970.6 Ų70.632%0.31937%0.372SS..Hα-helixtrans-59.2-38.6178.3-162.284.5000113.5H15 R16 R22 A98H15-H18 PolarHBondContact O-N 3.29Å; R16-H18 PolarHBondContact O-N 3.11Å; H18-R22 PolarHBondContact CE1-NH2 3.38Å; H18-R22 VanDerWaalsContact NE2-CZ 3.31Å; H18-R22 PolarHBondContact NE2-NH1 3Å; H18-R22 PolarHBondContact NE2-NH2 3.39Å; H18-A98 HydrophobicContact CB-CB 4.47Å; H18-A98 PolarHBondContact ND1-O 3.28Å
19R73.1Confident76.7Confident119 Ų11978.3 Ų78.345%0.44941%0.413SS..Hα-helixtrans-87.7-30179.3-57.4-176.4-157.5164.78.6113.1R16 L17 S25 K35 L107R16-R19 PolarHBondContact O-N 2.7Å; R16-R19 VanDerWaalsContact O-N 3.13Å; L17-R19 VanDerWaalsContact C-N 3.32Å; L17-R19 PolarHBondContact O-N 3.06Å; R19-S25 VanDerWaalsContact O-CB 3.25Å; R19-S25 WeakPolarHBondContact O-CB 3.44Å; R19-S25 PolarHBondContact O-OG 2.94Å; R19-K35 PolarHBondContact O-NZ 3.46Å; R19-L107 VanDerWaalsContact CZ-CD1 3.43Å; R19-L107 VanDerWaalsContact NH2-CG 3.35Å
20C80Confident75.7Confident28 Ų2875.3 Ų75.319%0.18940%0.402CS..Hα-helixtrans-80.5-38.5-173.3-71.80000111.9M1 T4 R16 L17 K35M1-C20 WeakPolarHBondContact CE-O 3.16Å; T4-C20 HydrophobicContact CG2-CB 3.98Å; R16-C20 WeakPolarHBondContact O-CB 3.45Å; R16-C20 PolarHBondContact O-N 2.83Å; R16-C20 PolarHBondContact O-SG 3.4Å; R16-C20 VanDerWaalsContact O-SG 3.32Å; L17-C20 PolarHBondContact O-N 3.44Å; C20-K35 PolarHBondContact O-NZ 3.45Å
21T80.9Confident75.1Confident3 Ų378.3 Ų78.32%0.01842%0.418CS..SBendtrans-84.9-10-170.560.40000115.3V5 L17 Q95V5-T21 HydrophobicContact CG2-CG2 3.83Å; L17-T21 HydrophobicContact CB-CG2 4.5Å; L17-T21 HydrophobicContact CD2-CG2 4.41Å; L17-T21 WeakPolarHBondContact O-CB 3.38Å; L17-T21 VanDerWaalsContact O-CG2 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.44Å; L17-T21 PolarHBondContact O-N 2.84Å; L17-T21 PolarHBondContact O-OG1 3.33Å; T21-Q95 PolarHBondContact O-NE2 3.28Å
22R79.8Confident74.7Confident123 Ų12377.4 Ų77.446%0.46442%0.424SS..SBendtrans-85.7144.1175.9-67.3-177.4172.7178.8-1.4112.2H18 I24H18-R22 PolarHBondContact CE1-NH2 3.38Å; H18-R22 VanDerWaalsContact NE2-CZ 3.31Å; H18-R22 PolarHBondContact NE2-NH1 3Å; H18-R22 PolarHBondContact NE2-NH2 3.39Å; R22-I24 VanDerWaalsContact C-N 3.26Å; R22-I24 VanDerWaalsContact CB-O 3.25Å; R22-I24 WeakPolarHBondContact CB-O 3.49Å; R22-I24 PolarHBondContact O-N 3.13Å
23P80Confident74.7Confident54 Ų5483 Ų8335%0.35143%0.427SS..SBendtrans-62.4-35.2172.3-16.627.7000112C34 K35 Y38P23-C34 CarbonylContact O-C 3.5Å; P23-K35 PolarHBondContact O-N 2.96Å; P23-Y38 HydrophobicContact CB-CD1 4.24Å; P23-Y38 HydrophobicContact CB-CE1 4.03Å; P23-Y38 HydrophobicContact CG-CD1 4.32Å; P23-Y38 HydrophobicContact CG-CE1 3.67Å
24I79.4Confident74.9Confident106 Ų10684.7 Ų84.754%0.54444%0.442SS..EExtended strand (participates in β ladder)trans-120129.2175.1-58.6172.7000107.5R22 P32 R33R22-I24 VanDerWaalsContact C-N 3.26Å; R22-I24 VanDerWaalsContact CB-O 3.25Å; R22-I24 WeakPolarHBondContact CB-O 3.49Å; R22-I24 PolarHBondContact O-N 3.13Å; I24-P32 HydrophobicContact CG2-CB 4.05Å; I24-R33 WeakPolarHBondContact CA-O 3.36Å
25S75.8Confident75.3Confident22 Ų2283.2 Ų83.215%0.15443%0.432CS..EExtended strand (participates in β ladder)trans-136.9135.5170.552.60000111.9R19 R33R19-S25 VanDerWaalsContact O-CB 3.25Å; R19-S25 WeakPolarHBondContact O-CB 3.44Å; R19-S25 PolarHBondContact O-OG 2.94Å; S25-R33 PolarHBondContact N-O 3.42Å; S25-R33 WeakPolarHBondContact O-CA 3.26Å; S25-R33 WeakPolarHBondContact O-CB 3.38Å; S25-R33 PolarHBondContact O-N 3.5Å
26G68.1Low75.7Confident55 Ų5583.5 Ų83.557%0.56744%0.442SS*.  trans163.9162.4-174.400000109.9
27E60.7Low76.2Confident84 Ų8481.6 Ų81.639%0.39344%0.44SS..  trans-99.3159.1172.1-70.9158.2175.600108.7D29 G30 R109E27-D29 PolarHBondContact O-N 2.93Å; E27-D29 VanDerWaalsContact O-N 3.11Å; E27-G30 PolarHBondContact O-N 3.07Å; E27-G30 VanDerWaalsContact O-N 3.12Å; E27-R109 IonicContact OE2-CZ 3.52Å; E27-R109 IonicContact OE2-NE 3.77Å; E27-R109 PolarHBondContact OE2-NE 3.4Å; E27-R109 VanDerWaalsContact OE2-NE 3.07Å; E27-R109 IonicContact OE2-NH2 3.92Å
28T57.4Low76.4Confident145 Ų14583.2 Ų83.289%0.8945%0.446SS*.THydrogen-bonded Turntrans-53.8-30.1-176.326.80000114.5
29D63.4Low77Confident163 Ų16387.8 Ų87.887%0.87246%0.461SS*.THydrogen-bonded Turntrans-97.35.9-176.2-59.1-25.9000114.1E27E27-D29 PolarHBondContact O-N 2.93Å; E27-D29 VanDerWaalsContact O-N 3.11Å
30G67.3Low77.7Confident18 Ų1884 Ų8419%0.18645%0.454CS..SBendtrans-126.2158.6-179.300000113.5E27 P32E27-G30 PolarHBondContact O-N 3.07Å; E27-G30 VanDerWaalsContact O-N 3.12Å; G30-P32 VanDerWaalsContact O-CD 3.29Å; G30-P32 WeakPolarHBondContact O-CD 3.4Å; G30-P32 VanDerWaalsContact O-N 3.14Å
31L73.6Confident78Confident171 Ų17187.4 Ų87.490%0.89547%0.466SS*.  trans-59.6117.7174.2-160.689000109.8
32P76.1Confident78.1Confident78 Ų7892.6 Ų92.651%0.50649%0.49SS..  trans-69.2136.4-178.327.1-33.5000110.6I24 G30 C34I24-P32 HydrophobicContact CG2-CB 4.05Å; G30-P32 VanDerWaalsContact O-CD 3.29Å; G30-P32 WeakPolarHBondContact O-CD 3.4Å; G30-P32 VanDerWaalsContact O-N 3.14Å; P32-C34 PolarHBondContact O-N 2.89Å
33R81.1Confident78.3Confident178 Ų17895.5 Ų95.567%0.67251%0.506SS*.EExtended strand (participates in β ladder)trans-81.8109.3170.4-177.5175.9-83.6-96.93.5109I24 S25I24-R33 WeakPolarHBondContact CA-O 3.36Å; S25-R33 PolarHBondContact N-O 3.42Å; S25-R33 WeakPolarHBondContact O-CA 3.26Å; S25-R33 WeakPolarHBondContact O-CB 3.38Å; S25-R33 PolarHBondContact O-N 3.5Å
34C84.3Confident78.8Confident80 Ų8098 Ų9854%0.54151%0.513SS..EExtended strand (participates in β ladder)trans-93.3140.2172.7-166.80000111.1P23 P32P23-C34 CarbonylContact O-C 3.5Å; P32-C34 PolarHBondContact O-N 2.89Å
35K87Confident79.4Confident44 Ų4495.8 Ų95.819%0.19150%0.502CS..  trans-132.367.8178.3-56.4175-164.41440108.7R19 C20 P23 L37 Y38R19-K35 PolarHBondContact O-NZ 3.46Å; C20-K35 PolarHBondContact O-NZ 3.45Å; P23-K35 PolarHBondContact O-N 2.96Å; K35-L37 VanDerWaalsContact C-N 3.27Å; K35-L37 PolarHBondContact O-N 2.99Å; K35-Y38 WeakPolarHBondContact O-CB 3.3Å; K35-Y38 WeakPolarHBondContact O-CD1 3.28Å; K35-Y38 PolarHBondContact O-N 2.91Å
36P85.5Confident80Confident104 Ų10497.8 Ų97.868%0.67551%0.513SS*.THydrogen-bonded Turntrans-63.8-33.7-173.525.1-32.2000112.3Y38P36-Y38 PolarHBondContact O-N 3.28Å
37L88.8Confident81.1Confident68 Ų68101 Ų10136%0.35652%0.517SS..THydrogen-bonded Turntrans-96.122.6-176.9-55.4179.1000113.5K35 R39 A40 I45 Y48K35-L37 VanDerWaalsContact C-N 3.27Å; K35-L37 PolarHBondContact O-N 2.99Å; L37-R39 PolarHBondContact O-N 3.31Å; L37-A40 HydrophobicContact CB-CB 4.18Å; L37-A40 WeakPolarHBondContact O-CB 3.33Å; L37-A40 PolarHBondContact O-N 2.85Å; L37-I45 HydrophobicContact CB-CD1 3.97Å; L37-I45 HydrophobicContact CB-CG1 3.89Å; L37-I45 HydrophobicContact CD1-CB 4.46Å; L37-I45 HydrophobicContact CD1-CG1 3.97Å; L37-I45 HydrophobicContact CD1-CG2 4.13Å; L37-Y48 HydrophobicContact CD1-CD1 4.18Å
38Y86.4Confident82.6Confident35 Ų35102.9 Ų102.914%0.13752%0.521CS..THydrogen-bonded Turntrans-63.7-18.2-172.883.2-81.6000114.8M1 P23 K35 P36 I91M1-Y38 WeakPolarHBondContact CB-O 3.44Å; M1-Y38 HydrophobicContact CG-CD2 3.95Å; M1-Y38 HydrophobicContact CG-CG 4.33Å; M1-Y38 WeakPolarHBondContact CG-O 3.31Å; P23-Y38 HydrophobicContact CB-CD1 4.24Å; P23-Y38 HydrophobicContact CB-CE1 4.03Å; P23-Y38 HydrophobicContact CG-CD1 4.32Å; P23-Y38 HydrophobicContact CG-CE1 3.67Å; K35-Y38 WeakPolarHBondContact O-CB 3.3Å; K35-Y38 WeakPolarHBondContact O-CD1 3.28Å; K35-Y38 PolarHBondContact O-N 2.91Å; P36-Y38 PolarHBondContact O-N 3.28Å; Y38-I91 HydrophobicContact CE2-CG2 4.02Å
39R87.6Confident84.3Confident166 Ų16696.5 Ų96.563%0.62648%0.483SS*.THydrogen-bonded Turntrans-93.8-6173.8-66.7-176.3177.1178-3.4113.9L37L37-R39 PolarHBondContact O-N 3.31Å
40A89Confident85.7Confident38 Ų3896.6 Ų96.631%0.31447%0.471SS..SBendtrans-89.4157178.400000111.6L37 I45L37-A40 HydrophobicContact CB-CB 4.18Å; L37-A40 WeakPolarHBondContact O-CB 3.33Å; L37-A40 PolarHBondContact O-N 2.85Å; A40-I45 HydrophobicContact CB-CD1 4.36Å; A40-I45 HydrophobicContact CB-CG1 4.02Å
41F85.2Confident87Confident100 Ų100103.7 Ų103.744%0.43950%0.497SS..  trans-72.4147.6174.6-73.1-76.4000111.5K43 E44 I45 E80 I87F41-K43 PolarHBondContact O-N 3.37Å; F41-E44 HydrophobicContact CB-CB 4.44Å; F41-E44 HydrophobicContact CB-CG 4.05Å; F41-E44 PolarHBondContact N-OE2 3.09Å; F41-E44 VanDerWaalsContact N-OE2 3.08Å; F41-E44 WeakPolarHBondContact O-CB 3.34Å; F41-E44 PolarHBondContact O-N 2.81Å; F41-I45 WeakPolarHBondContact O-CG1 3.27Å; F41-I45 PolarHBondContact O-N 3.08Å; F41-E80 WeakPolarHBondContact CE1-OE1 3.42Å; F41-E80 WeakPolarHBondContact CZ-OE1 3.3Å; F41-I87 HydrophobicContact CE1-CD1 4.1Å; F41-I87 HydrophobicContact CZ-CD1 4.38Å
42Q83.5Confident88Confident112 Ų11298.9 Ų98.952%0.52347%0.472SS..Hα-helixtrans-55.3-40.9177.7-74.4175.4-1.300112.2E44 I45 V46Q42-E44 VanDerWaalsContact C-N 3.34Å; Q42-E44 PolarHBondContact O-N 3.39Å; Q42-I45 PolarHBondContact O-N 2.78Å; Q42-V46 WeakPolarHBondContact O-CG2 3.49Å; Q42-V46 PolarHBondContact O-N 2.84Å
43K85Confident88.9Confident185 Ų185104.2 Ų104.280%0.80449%0.488SS*.Hα-helixtrans-63.4-38.7178-67.1-174176.6-174.70112.6F41 V46 L47F41-K43 PolarHBondContact O-N 3.37Å; K43-V46 PolarHBondContact O-N 3.14Å; K43-L47 WeakPolarHBondContact O-CB 3.19Å; K43-L47 PolarHBondContact O-N 3.14Å
44E90Very high89.4Confident105 Ų105100 Ų10049%0.49148%0.478SS..Hα-helixtrans-69.4-37.5176.5-64.3172.1159.300111.5F41 Q42 V46 L47 Y48F41-E44 HydrophobicContact CB-CB 4.44Å; F41-E44 HydrophobicContact CB-CG 4.05Å; F41-E44 PolarHBondContact N-OE2 3.09Å; F41-E44 VanDerWaalsContact N-OE2 3.08Å; F41-E44 WeakPolarHBondContact O-CB 3.34Å; F41-E44 PolarHBondContact O-N 2.81Å; Q42-E44 VanDerWaalsContact C-N 3.34Å; Q42-E44 PolarHBondContact O-N 3.39Å; E44-V46 VanDerWaalsContact C-N 3.35Å; E44-L47 PolarHBondContact O-N 2.99Å; E44-Y48 VanDerWaalsContact O-CB 3.26Å; E44-Y48 WeakPolarHBondContact O-CB 3.48Å; E44-Y48 PolarHBondContact O-N 3.1Å
45I90.7Very high89.6Confident61 Ų61104.5 Ų104.531%0.31350%0.497SS..Hα-helixtrans-62.5-44.2174.8-63.5167.7000110.4L37 A40 F41 Q42 Y48 A49L37-I45 HydrophobicContact CB-CD1 3.97Å; L37-I45 HydrophobicContact CB-CG1 3.89Å; L37-I45 HydrophobicContact CD1-CB 4.46Å; L37-I45 HydrophobicContact CD1-CG1 3.97Å; L37-I45 HydrophobicContact CD1-CG2 4.13Å; A40-I45 HydrophobicContact CB-CD1 4.36Å; A40-I45 HydrophobicContact CB-CG1 4.02Å; F41-I45 WeakPolarHBondContact O-CG1 3.27Å; F41-I45 PolarHBondContact O-N 3.08Å; Q42-I45 PolarHBondContact O-N 2.78Å; I45-Y48 PolarHBondContact O-N 3.31Å; I45-A49 WeakPolarHBondContact O-CB 2.94Å; I45-A49 PolarHBondContact O-N 2.94Å
46V89.6Confident89.6Confident64 Ų64106.3 Ų106.339%0.38850%0.503SS..Hα-helixtrans-63.9-42.5175.91730000110.9Q42 K43 E44 A49 R50 Y56Q42-V46 WeakPolarHBondContact O-CG2 3.49Å; Q42-V46 PolarHBondContact O-N 2.84Å; K43-V46 PolarHBondContact O-N 3.14Å; E44-V46 VanDerWaalsContact C-N 3.35Å; V46-A49 PolarHBondContact O-N 3.05Å; V46-R50 WeakPolarHBondContact O-CB 3.38Å; V46-R50 PolarHBondContact O-N 3.12Å; V46-Y56 HydrophobicContact CG1-CD2 3.93Å; V46-Y56 HydrophobicContact CG1-CE2 3.81Å
47L90.3Very high89.3Confident123 Ų123109.4 Ų109.464%0.64451%0.506SS*.Hα-helixtrans-63.8-42.8176.3-175.764.2000111.9K43 E44 R50 F51K43-L47 WeakPolarHBondContact O-CB 3.19Å; K43-L47 PolarHBondContact O-N 3.14Å; E44-L47 PolarHBondContact O-N 2.99Å; L47-R50 PolarHBondContact O-N 3.13Å; L47-F51 WeakPolarHBondContact O-CB 3.4Å; L47-F51 PolarHBondContact O-N 2.82Å
48Y92.6Very high88.8Confident122 Ų122109.5 Ų109.548%0.47852%0.516SS..Hα-helixtrans-61.9-44.3175.4175-91.7000111.7L37 E44 I45 R50 F51 N52 L54L37-Y48 HydrophobicContact CD1-CD1 4.18Å; E44-Y48 VanDerWaalsContact O-CB 3.26Å; E44-Y48 WeakPolarHBondContact O-CB 3.48Å; E44-Y48 PolarHBondContact O-N 3.1Å; I45-Y48 PolarHBondContact O-N 3.31Å; Y48-R50 VanDerWaalsContact C-N 3.35Å; Y48-F51 PolarHBondContact O-N 2.93Å; Y48-N52 WeakPolarHBondContact CD2-ND2 3.4Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.31Å; Y48-N52 VanDerWaalsContact CZ-ND2 3.31Å; Y48-N52 PolarHBondContact O-N 3.29Å; Y48-N52 PolarHBondContact O-ND2 3.37Å; Y48-L54 HydrophobicContact CD1-CD1 4.5Å; Y48-L54 HydrophobicContact CE1-CD1 4.18Å
49A93Very high88.4Confident11 Ų11112.4 Ų112.49%0.09154%0.538CS..Hα-helixtrans-61-44.9175.300000111I45 V46 N52 K53 L54 Y56I45-A49 WeakPolarHBondContact O-CB 2.94Å; I45-A49 PolarHBondContact O-N 2.94Å; V46-A49 PolarHBondContact O-N 3.05Å; A49-N52 CarbonylContact O-C 3.57Å; A49-N52 PolarHBondContact O-N 3.49Å; A49-K53 PolarHBondContact O-N 3.07Å; A49-L54 HydrophobicContact CB-CB 4.11Å; A49-L54 HydrophobicContact CB-CD1 4.47Å; A49-L54 PolarHBondContact O-N 3.11Å; A49-Y56 HydrophobicContact CB-CD1 3.96Å; A49-Y56 HydrophobicContact CB-CG 4.2Å
50R92.7Very high87.8Confident165 Ų165111.4 Ų111.462%0.62355%0.545SS*.Hα-helixtrans-61.5-45.1175.4-179.252.8162.9-153.28.8112.4V46 L47 Y48 K53 Y56V46-R50 WeakPolarHBondContact O-CB 3.38Å; V46-R50 PolarHBondContact O-N 3.12Å; L47-R50 PolarHBondContact O-N 3.13Å; Y48-R50 VanDerWaalsContact C-N 3.35Å; R50-K53 PolarHBondContact O-N 2.93Å; R50-Y56 HydrophobicContact CB-CE1 3.97Å; R50-Y56 VanDerWaalsContact CD-OH 3.31Å; R50-Y56 WeakPolarHBondContact CD-OH 3.48Å; R50-Y56 PolarHBondContact NH1-OH 3.33Å
51F94.7Very high87.1Confident168 Ų168113.2 Ų113.274%0.73756%0.555SS**Hα-helixtrans-61.9-43.2179179.3-98000112L47 Y48 K53L47-F51 WeakPolarHBondContact O-CB 3.4Å; L47-F51 PolarHBondContact O-N 2.82Å; Y48-F51 PolarHBondContact O-N 2.93Å; F51-K53 VanDerWaalsContact C-N 3.27Å; F51-K53 PolarHBondContact O-N 3.33Å
52N95.3Very high86.5Confident69 Ų69115.1 Ų115.137%0.36957%0.569SS.*THydrogen-bonded Turntrans-85.66.5178.6-68.4-81.7000113.7Y48 A49 L54Y48-N52 WeakPolarHBondContact CD2-ND2 3.4Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.31Å; Y48-N52 VanDerWaalsContact CZ-ND2 3.31Å; Y48-N52 PolarHBondContact O-N 3.29Å; Y48-N52 PolarHBondContact O-ND2 3.37Å; A49-N52 CarbonylContact O-C 3.57Å; A49-N52 PolarHBondContact O-N 3.49Å; N52-L54 HydrophobicContact CB-CD1 4.37Å; N52-L54 HydrophobicContact CB-CD2 4.36Å; N52-L54 HydrophobicContact CB-CG 3.95Å; N52-L54 PolarHBondContact O-N 3.23Å
53K94.2Very high86.3Confident190 Ų190118.3 Ų118.383%0.82658%0.577SS**THydrogen-bonded Turntrans52.438.7-177.4-54.3179.1-178.4178.40113.4A49 R50 F51A49-K53 PolarHBondContact O-N 3.07Å; R50-K53 PolarHBondContact O-N 2.93Å; F51-K53 VanDerWaalsContact C-N 3.27Å; F51-K53 PolarHBondContact O-N 3.33Å
54L92.5Very high85.8Confident90 Ų90110.8 Ų110.847%0.47155%0.549SS..  trans-78.6154.9172.9-55-179.6000110.1Y48 A49 N52 Y56Y48-L54 HydrophobicContact CD1-CD1 4.5Å; Y48-L54 HydrophobicContact CE1-CD1 4.18Å; A49-L54 HydrophobicContact CB-CB 4.11Å; A49-L54 HydrophobicContact CB-CD1 4.47Å; A49-L54 PolarHBondContact O-N 3.11Å; N52-L54 HydrophobicContact CB-CD1 4.37Å; N52-L54 HydrophobicContact CB-CD2 4.36Å; N52-L54 HydrophobicContact CB-CG 3.95Å; N52-L54 PolarHBondContact O-N 3.23Å; L54-Y56 VanDerWaalsContact O-CD1 3.3Å; L54-Y56 WeakPolarHBondContact O-CD1 3.11Å; L54-Y56 PolarHBondContact O-N 3.13Å
55D88.3Confident85.1Confident174 Ų174110.3 Ų110.393%0.9356%0.557SS**  trans-70.5125.1171.1-69.2-29.1000110.5
56Y85.6Confident84.6Confident83 Ų83110.9 Ų110.933%0.32557%0.567SS.*  trans-145.2154.4176.269.3-83.9000111.5V46 A49 R50 L54 A58V46-Y56 HydrophobicContact CG1-CD2 3.93Å; V46-Y56 HydrophobicContact CG1-CE2 3.81Å; A49-Y56 HydrophobicContact CB-CD1 3.96Å; A49-Y56 HydrophobicContact CB-CG 4.2Å; R50-Y56 HydrophobicContact CB-CE1 3.97Å; R50-Y56 VanDerWaalsContact CD-OH 3.31Å; R50-Y56 WeakPolarHBondContact CD-OH 3.48Å; R50-Y56 PolarHBondContact NH1-OH 3.33Å; L54-Y56 VanDerWaalsContact O-CD1 3.3Å; L54-Y56 WeakPolarHBondContact O-CD1 3.11Å; L54-Y56 PolarHBondContact O-N 3.13Å; Y56-A58 HydrophobicContact CD2-CB 4.22Å; Y56-A58 HydrophobicContact CE2-CB 3.76Å
57F79.7Confident84.2Confident168 Ų168109.6 Ų109.674%0.73756%0.561SS**  trans-94.6121.4175.6-164.6-103.4000109.8T59F57-T59 WeakPolarHBondContact CD1-O 3.16Å; F57-T59 WeakPolarHBondContact CE1-O 3.38Å
58A78.9Confident83.7Confident70 Ų70106.3 Ų106.358%0.57954%0.54SS*.  trans-104.9-12.1-176.500000113.9Y56 D60Y56-A58 HydrophobicContact CD2-CB 4.22Å; Y56-A58 HydrophobicContact CE2-CB 3.76Å; A58-D60 PolarHBondContact O-N 3.32Å
59T78.1Confident83.5Confident96 Ų96104.2 Ų104.259%0.58953%0.532SS*.PPolyproline II helixtrans-77.9122.3-176.4-45.60000109.7F57F57-T59 WeakPolarHBondContact CD1-O 3.16Å; F57-T59 WeakPolarHBondContact CE1-O 3.38Å
60D75.1Confident82.9Confident145 Ų145103.9 Ų103.978%0.77553%0.529SS*.PPolyproline II helixtrans-70.4138.8173.5-79.9-37.9000110.3A58 L62A58-D60 PolarHBondContact O-N 3.32Å; D60-L62 PolarHBondContact O-N 3.07Å
61C75Confident82.6Confident76 Ų76101 Ų10151%0.51452%0.523SS..PPolyproline II helixtrans-71.2126.3170.7174.10000109.2Y63 A64C61-Y63 PolarHBondContact O-N 2.92Å; C61-Y63 PolarHBondContact SG-N 3.02Å; C61-A64 HydrophobicContact CB-CB 4.09Å; C61-A64 WeakPolarHBondContact O-CB 3.34Å; C61-A64 PolarHBondContact O-N 2.82Å
62L71.2Confident82.4Confident140 Ų14093.6 Ų93.673%0.73349%0.49SS*.THydrogen-bonded Turntrans-58-31.4177.7-67.3171.8000112.7D60 A64D60-L62 PolarHBondContact O-N 3.07Å; L62-A64 VanDerWaalsContact C-N 3.31Å
63Y78.7Confident82Confident180 Ų18093.5 Ų93.571%0.70649%0.485SS*.THydrogen-bonded Turntrans-85.40.3176.3-47.6-68.1000113.4C61 S65 S66 S67C61-Y63 PolarHBondContact O-N 2.92Å; C61-Y63 PolarHBondContact SG-N 3.02Å; Y63-S65 VanDerWaalsContact C-N 3.27Å; Y63-S65 PolarHBondContact O-N 2.71Å; Y63-S66 PolarHBondContact O-N 2.91Å; Y63-S66 PolarHBondContact O-OG 3.03Å; Y63-S67 PolarHBondContact O-N 2.86Å
64A76Confident81.8Confident26 Ų2688 Ų8822%0.21546%0.464CS..SBendtrans-60.2-40.3-17700000111.5C61 L62 S66 S67 A70C61-A64 HydrophobicContact CB-CB 4.09Å; C61-A64 WeakPolarHBondContact O-CB 3.34Å; C61-A64 PolarHBondContact O-N 2.82Å; L62-A64 VanDerWaalsContact C-N 3.31Å; A64-S66 VanDerWaalsContact C-N 3.32Å; A64-S66 PolarHBondContact O-N 3.31Å; A64-S67 WeakPolarHBondContact O-CB 3.46Å; A64-S67 PolarHBondContact O-N 3.22Å; A64-S67 PolarHBondContact O-OG 3.44Å; A64-A70 WeakPolarHBondContact O-CB 3.18Å
65S74.8Confident81.7Confident95 Ų9587.8 Ų87.866%0.66446%0.46SS*.THydrogen-bonded Turntrans-63.7-32.9-177.755.10000113.4Y63 A70Y63-S65 VanDerWaalsContact C-N 3.27Å; Y63-S65 PolarHBondContact O-N 2.71Å; S65-A70 WeakPolarHBondContact O-CB 3.22Å
66S79.5Confident81.8Confident73 Ų7380.1 Ų80.151%0.5142%0.419SS..THydrogen-bonded Turntrans-93.53.1179.156.40000113.7Y63 A64Y63-S66 PolarHBondContact O-N 2.91Å; Y63-S66 PolarHBondContact O-OG 3.03Å; A64-S66 VanDerWaalsContact C-N 3.32Å; A64-S66 PolarHBondContact O-N 3.31Å
67S81.6Confident81.9Confident38 Ų3881.3 Ų81.327%0.26643%0.426SS..SBendtrans-75.8149.4-179.174.30000112.3Y63 A64 R69 A70Y63-S67 PolarHBondContact O-N 2.86Å; A64-S67 WeakPolarHBondContact O-CB 3.46Å; A64-S67 PolarHBondContact O-N 3.22Å; A64-S67 PolarHBondContact O-OG 3.44Å; S67-R69 PolarHBondContact O-N 2.9Å; S67-A70 WeakPolarHBondContact O-CB 3.31Å; S67-A70 PolarHBondContact O-N 3.43Å; S67-A70 PolarHBondContact OG-N 3.19Å
68Y81.2Confident82.4Confident54 Ų5480.9 Ų80.921%0.21242%0.42CS..Hα-helixtrans-51.6-33.9171.9-179.4-111.4000112.9M7 L10 R11 L72 I186M7-Y68 HydrophobicContact CB-CE1 4.46Å; M7-Y68 HydrophobicContact CG-CD1 3.81Å; M7-Y68 HydrophobicContact CG-CE1 3.56Å; M7-Y68 HydrophobicContact SD-CD1 4.47Å; L10-Y68 WeakPolarHBondContact CB-OH 3.25Å; R11-Y68 HydrophobicContact CG-CE1 4.36Å; Y68-L72 HydrophobicContact CD1-CD1 4.33Å; Y68-L72 HydrophobicContact CE1-CD1 3.89Å; Y68-I186 HydrophobicContact CD2-CG2 3.49Å; Y68-I186 VanDerWaalsContact CD2-CG2 3.49Å; Y68-I186 HydrophobicContact CE2-CG2 3.36Å; Y68-I186 HydrophobicContact CG-CG2 4.31Å
69R86.7Confident82.9Confident77 Ų7779.9 Ų79.929%0.29140%0.404SS..Hα-helixtrans-69.7-31.9177.5-178.7175.1-75.7-96.73.2112.6E3 T4 S67 L72 R73E3-R69 WeakPolarHBondContact OE2-CG 3.29Å; E3-R69 IonicContact OE2-NH1 3.96Å; E3-R69 PolarHBondContact OE2-NH1 3.06Å; T4-R69 PolarHBondContact OG1-NH1 3.23Å; T4-R69 VanDerWaalsContact OG1-NH1 3.09Å; T4-R69 PolarHBondContact OG1-NH2 3Å; S67-R69 PolarHBondContact O-N 2.9Å; R69-L72 PolarHBondContact O-N 3.16Å; R69-R73 PolarHBondContact O-N 3.29Å
70A82.3Confident83.4Confident4 Ų478 Ų783%0.03339%0.389CS..Hα-helixtrans-64.4-41.7176.400000112.1A64 S65 S67 L72 R73 D74A64-A70 WeakPolarHBondContact O-CB 3.18Å; S65-A70 WeakPolarHBondContact O-CB 3.22Å; S67-A70 WeakPolarHBondContact O-CB 3.31Å; S67-A70 PolarHBondContact O-N 3.43Å; S67-A70 PolarHBondContact OG-N 3.19Å; A70-L72 VanDerWaalsContact C-N 3.25Å; A70-L72 PolarHBondContact O-N 3.24Å; A70-R73 WeakPolarHBondContact O-CA 3.3Å; A70-R73 VanDerWaalsContact O-CB 3.32Å; A70-R73 WeakPolarHBondContact O-CB 3.44Å; A70-R73 PolarHBondContact O-N 2.98Å; A70-D74 PolarHBondContact O-N 3.46Å
71H85.8Confident84Confident106 Ų10678.3 Ų78.349%0.49139%0.39SS..Hα-helixtrans-57.2-40.4174.6-62.6-53.4000112.6D74 F75H71-D74 PolarHBondContact O-N 3.43Å; H71-F75 WeakPolarHBondContact O-CB 3.45Å; H71-F75 PolarHBondContact O-N 2.93Å
72L89.7Confident84.7Confident11 Ų1181.5 Ų81.56%0.05840%0.4CS..Hα-helixtrans-71.1-35.6176.1-61.3177.1000112.5L6 M7 L10 Y68 R69 A70 F75 V76L6-L72 HydrophobicContact CB-CD2 4.42Å; M7-L72 HydrophobicContact CB-CD1 3.41Å; M7-L72 VanDerWaalsContact CB-CD1 3.41Å; M7-L72 HydrophobicContact CG-CD1 3.82Å; L10-L72 HydrophobicContact CD1-CD2 3.37Å; Y68-L72 HydrophobicContact CD1-CD1 4.33Å; Y68-L72 HydrophobicContact CE1-CD1 3.89Å; R69-L72 PolarHBondContact O-N 3.16Å; A70-L72 VanDerWaalsContact C-N 3.25Å; A70-L72 PolarHBondContact O-N 3.24Å; L72-F75 PolarHBondContact O-N 2.88Å; L72-V76 WeakPolarHBondContact O-CB 2.98Å; L72-V76 VanDerWaalsContact O-CG2 3.22Å; L72-V76 WeakPolarHBondContact O-CG2 3.22Å; L72-V76 PolarHBondContact O-N 3.39Å
73R88.1Confident85.7Confident67 Ų6781.6 Ų81.625%0.25339%0.391SS..Hα-helixtrans-60.9-45.7172.5-175.4-178.4-56.31607.6111E3 R69 A70 V76 K77E3-R73 HydrophobicContact CG-CB 4.36Å; E3-R73 VanDerWaalsContact OE1-CB 3.31Å; E3-R73 WeakPolarHBondContact OE1-CB 3.38Å; E3-R73 WeakPolarHBondContact OE1-CG 3.39Å; E3-R73 IonicContact OE1-NE 3.75Å; E3-R73 PolarHBondContact OE1-NE 2.69Å; E3-R73 VanDerWaalsContact OE1-NE 3.08Å; R69-R73 PolarHBondContact O-N 3.29Å; A70-R73 WeakPolarHBondContact O-CA 3.3Å; A70-R73 VanDerWaalsContact O-CB 3.32Å; A70-R73 WeakPolarHBondContact O-CB 3.44Å; A70-R73 PolarHBondContact O-N 2.98Å; R73-V76 PolarHBondContact O-N 3.11Å; R73-K77 HydrophobicContact CG-CD 4.46Å; R73-K77 WeakPolarHBondContact O-CB 3.31Å; R73-K77 WeakPolarHBondContact O-CG 3.2Å; R73-K77 PolarHBondContact O-N 2.84Å
74D88.4Confident86.1Confident75 Ų7577.3 Ų77.340%0.40139%0.385SS..Hα-helixtrans-68.7-36.3179.5-65.2-20.3000111.8A70 H71 R78A70-D74 PolarHBondContact O-N 3.46Å; H71-D74 PolarHBondContact O-N 3.43Å; D74-R78 WeakPolarHBondContact O-CG 3.15Å; D74-R78 PolarHBondContact O-N 3.37Å; D74-R78 PolarHBondContact O-NE 3.34Å
75F90.7Very high87Confident85 Ų8579.6 Ų79.637%0.37340%0.396SS..Hα-helixtrans-62.1-49.1170.1175.4-106.1000112.1L6 H71 L72 K77 R78 L79L6-F75 HydrophobicContact CD1-CD1 3.7Å; L6-F75 HydrophobicContact CD1-CE1 3.77Å; H71-F75 WeakPolarHBondContact O-CB 3.45Å; H71-F75 PolarHBondContact O-N 2.93Å; L72-F75 PolarHBondContact O-N 2.88Å; F75-K77 VanDerWaalsContact C-N 3.34Å; F75-K77 PolarHBondContact O-N 3.35Å; F75-R78 PolarHBondContact O-N 3.17Å; F75-L79 HydrophobicContact CD1-CD1 3.96Å; F75-L79 HydrophobicContact CD1-CG 4.49Å; F75-L79 HydrophobicContact CE1-CD1 3.29Å; F75-L79 HydrophobicContact CE1-CG 4.05Å; F75-L79 HydrophobicContact CE2-CD1 4.2Å; F75-L79 HydrophobicContact CE2-CD2 4.38Å; F75-L79 HydrophobicContact CE2-CG 4.13Å; F75-L79 HydrophobicContact CZ-CD1 3.43Å; F75-L79 VanDerWaalsContact CZ-CD1 3.43Å; F75-L79 HydrophobicContact CZ-CD2 4.19Å; F75-L79 HydrophobicContact CZ-CG 3.86Å; F75-L79 PolarHBondContact O-N 3.33Å
76V90.7Very high87.8Confident13 Ų1375.8 Ų75.88%0.07937%0.371CS..Hα-helixtrans-61.1-42.1178.6170.10000111.3A2 L6 L72 R73 R78 L79 E80 I87A2-V76 HydrophobicContact CB-CG1 4.28Å; A2-V76 HydrophobicContact CB-CG2 4.32Å; L6-V76 HydrophobicContact CD1-CG2 3.61Å; L72-V76 WeakPolarHBondContact O-CB 2.98Å; L72-V76 VanDerWaalsContact O-CG2 3.22Å; L72-V76 WeakPolarHBondContact O-CG2 3.22Å; L72-V76 PolarHBondContact O-N 3.39Å; R73-V76 PolarHBondContact O-N 3.11Å; V76-R78 PolarHBondContact O-N 2.82Å; V76-L79 PolarHBondContact O-N 3.22Å; V76-E80 WeakPolarHBondContact O-CB 3.39Å; V76-E80 PolarHBondContact O-N 3.23Å; V76-I87 HydrophobicContact CG1-CD1 4.17Å; V76-I87 HydrophobicContact CG1-CG1 3.97Å
77K88Confident88.4Confident109 Ų10973.7 Ų73.747%0.47435%0.354SS..Hα-helixtrans-62-40.7175.1-75.8177.2177.1178.20112.5R73 F75 E80 L81R73-K77 HydrophobicContact CG-CD 4.46Å; R73-K77 WeakPolarHBondContact O-CB 3.31Å; R73-K77 WeakPolarHBondContact O-CG 3.2Å; R73-K77 PolarHBondContact O-N 2.84Å; F75-K77 VanDerWaalsContact C-N 3.34Å; F75-K77 PolarHBondContact O-N 3.35Å; K77-E80 WeakPolarHBondContact O-CB 3.49Å; K77-E80 PolarHBondContact O-N 3.31Å; K77-L81 WeakPolarHBondContact O-CG 3.37Å; K77-L81 PolarHBondContact O-N 3.3Å; K77-L81 VanDerWaalsContact O-N 3.12Å
78R91Very high88.9Confident158 Ų15876.3 Ų76.360%0.59636%0.364SS*.Hα-helixtrans-65.4-40175.2-75.9-176.9-69.3-178.80.4112.1D74 F75 V76 L81D74-R78 WeakPolarHBondContact O-CG 3.15Å; D74-R78 PolarHBondContact O-N 3.37Å; D74-R78 PolarHBondContact O-NE 3.34Å; F75-R78 PolarHBondContact O-N 3.17Å; V76-R78 PolarHBondContact O-N 2.82Å; R78-L81 PolarHBondContact O-N 3.06Å
79L89.4Confident89.5Confident50 Ų5076.6 Ų76.626%0.26237%0.369SS..Hα-helixtrans-63.7-41.4173.5-75.2-178.8000112.1F75 V76 L81 I82 R83 I90F75-L79 HydrophobicContact CD1-CD1 3.96Å; F75-L79 HydrophobicContact CD1-CG 4.49Å; F75-L79 HydrophobicContact CE1-CD1 3.29Å; F75-L79 HydrophobicContact CE1-CG 4.05Å; F75-L79 HydrophobicContact CE2-CD1 4.2Å; F75-L79 HydrophobicContact CE2-CD2 4.38Å; F75-L79 HydrophobicContact CE2-CG 4.13Å; F75-L79 HydrophobicContact CZ-CD1 3.43Å; F75-L79 VanDerWaalsContact CZ-CD1 3.43Å; F75-L79 HydrophobicContact CZ-CD2 4.19Å; F75-L79 HydrophobicContact CZ-CG 3.86Å; F75-L79 PolarHBondContact O-N 3.33Å; V76-L79 PolarHBondContact O-N 3.22Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 3.24Å; L79-I82 PolarHBondContact O-N 2.95Å; L79-I82 VanDerWaalsContact O-N 3.1Å; L79-R83 PolarHBondContact O-N 3.03Å; L79-I90 HydrophobicContact CD1-CD1 4.05Å
80E88.5Confident89.8Confident55 Ų5574.1 Ų74.126%0.25736%0.361SS..Hα-helixtrans-59.7-40.7178.3-179.4179.1-157.100112.2F41 V76 K77 I82 R83 P84 I87F41-E80 WeakPolarHBondContact CE1-OE1 3.42Å; F41-E80 WeakPolarHBondContact CZ-OE1 3.3Å; V76-E80 WeakPolarHBondContact O-CB 3.39Å; V76-E80 PolarHBondContact O-N 3.23Å; K77-E80 WeakPolarHBondContact O-CB 3.49Å; K77-E80 PolarHBondContact O-N 3.31Å; E80-I82 PolarHBondContact O-N 2.95Å; E80-R83 CarbonylContact O-C 3.56Å; E80-R83 VanDerWaalsContact O-C 3.3Å; E80-R83 PolarHBondContact O-N 3.13Å; E80-P84 WeakPolarHBondContact O-CA 3.35Å; E80-P84 WeakPolarHBondContact O-CD 3.4Å; E80-P84 VanDerWaalsContact O-N 3.13Å; E80-I87 HydrophobicContact CB-CD1 3.97Å; E80-I87 HydrophobicContact CB-CG1 4.34Å; E80-I87 VanDerWaalsContact CD-CD1 3.46Å; E80-I87 HydrophobicContact CG-CD1 3.8Å
81L86.9Confident90.2Very high152 Ų15274.2 Ų74.280%0.79636%0.361SS*.Hα-helixtrans-60.9-30.8175.6-70.4172.5000113K77 R78 L79K77-L81 WeakPolarHBondContact O-CG 3.37Å; K77-L81 PolarHBondContact O-N 3.3Å; K77-L81 VanDerWaalsContact O-N 3.12Å; R78-L81 PolarHBondContact O-N 3.06Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 3.24Å
82I90.4Very high90.5Very high144 Ų14471 Ų7174%0.73835%0.353SS*.Hα-helixtrans-83.9-45.2179.1-60.5167.7000110.2L79 E80L79-I82 PolarHBondContact O-N 2.95Å; L79-I82 VanDerWaalsContact O-N 3.1Å; E80-I82 PolarHBondContact O-N 2.95Å
83R90.7Very high90.6Very high141 Ų14173.2 Ų73.253%0.53237%0.37SS..  trans-149.1102.8-179.8178.9173.8161.1156.7-5.1109.4L79 E80 V85 A86 D89L79-R83 PolarHBondContact O-N 3.03Å; E80-R83 CarbonylContact O-C 3.56Å; E80-R83 VanDerWaalsContact O-C 3.3Å; E80-R83 PolarHBondContact O-N 3.13Å; R83-V85 HydrophobicContact CG-CB 4.31Å; R83-V85 PolarHBondContact O-N 3.06Å; R83-V85 VanDerWaalsContact O-N 3.14Å; R83-A86 HydrophobicContact CB-CB 4.39Å; R83-A86 HydrophobicContact CG-CB 4.47Å; R83-A86 WeakPolarHBondContact O-CB 3.46Å; R83-A86 PolarHBondContact O-N 3.08Å; R83-D89 IonicContact CZ-OD2 3.15Å; R83-D89 IonicContact NE-OD2 3.85Å; R83-D89 PolarHBondContact NE-OD2 2.94Å; R83-D89 IonicContact NH2-OD2 3.31Å; R83-D89 PolarHBondContact NH2-OD2 3.28Å
84P88.8Confident90.7Very high90 Ų9070 Ų7058%0.58436%0.357SS*.THydrogen-bonded Turntrans-57-34.8-178.7-2935.6000113.6E80 A86 I87E80-P84 WeakPolarHBondContact O-CA 3.35Å; E80-P84 WeakPolarHBondContact O-CD 3.4Å; E80-P84 VanDerWaalsContact O-N 3.13Å; P84-A86 PolarHBondContact O-N 3.14Å; P84-A86 VanDerWaalsContact O-N 3.16Å; P84-I87 PolarHBondContact O-N 2.88Å
85V93.4Very high90.7Very high74 Ų7469.1 Ų69.145%0.44835%0.351SS..THydrogen-bonded Turntrans-63.5-20.1178.3-175.50000112.6R83 I87 L88 D89R83-V85 HydrophobicContact CG-CB 4.31Å; R83-V85 PolarHBondContact O-N 3.06Å; R83-V85 VanDerWaalsContact O-N 3.14Å; V85-I87 PolarHBondContact O-N 3.4Å; V85-I87 VanDerWaalsContact O-N 3.09Å; V85-L88 WeakPolarHBondContact O-CB 3.12Å; V85-L88 PolarHBondContact O-N 3.43Å; V85-D89 PolarHBondContact O-N 3.46Å
86A92.7Very high90.5Very high16 Ų1671 Ų7113%0.13236%0.361CS..Hα-helixtrans-56.7-31.1-179.600000112.9R83 P84 L88 D89 I90R83-A86 HydrophobicContact CB-CB 4.39Å; R83-A86 HydrophobicContact CG-CB 4.47Å; R83-A86 WeakPolarHBondContact O-CB 3.46Å; R83-A86 PolarHBondContact O-N 3.08Å; P84-A86 PolarHBondContact O-N 3.14Å; P84-A86 VanDerWaalsContact O-N 3.16Å; A86-L88 PolarHBondContact O-N 3.09Å; A86-D89 PolarHBondContact O-N 3.11Å; A86-I90 WeakPolarHBondContact O-CB 3.37Å; A86-I90 WeakPolarHBondContact O-CD1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.24Å; A86-I90 PolarHBondContact O-N 3.42Å
87I91.7Very high90.3Very high29 Ų2973.7 Ų73.715%0.14937%0.374CS..Hα-helixtrans-61.9-45175.6-61.8-177.9000110.8A2 F41 V76 E80 P84 V85 I91A2-I87 HydrophobicContact CB-CG2 3.95Å; F41-I87 HydrophobicContact CE1-CD1 4.1Å; F41-I87 HydrophobicContact CZ-CD1 4.38Å; V76-I87 HydrophobicContact CG1-CD1 4.17Å; V76-I87 HydrophobicContact CG1-CG1 3.97Å; E80-I87 HydrophobicContact CB-CD1 3.97Å; E80-I87 HydrophobicContact CB-CG1 4.34Å; E80-I87 VanDerWaalsContact CD-CD1 3.46Å; E80-I87 HydrophobicContact CG-CD1 3.8Å; P84-I87 PolarHBondContact O-N 2.88Å; V85-I87 PolarHBondContact O-N 3.4Å; V85-I87 VanDerWaalsContact O-N 3.09Å; I87-I91 HydrophobicContact CG2-CD1 4.27Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.24Å; I87-I91 PolarHBondContact O-N 2.9Å
88L91.1Very high90Very high92 Ų9268.7 Ų68.748%0.48235%0.353SS..Hα-helixtrans-70-40.4178.2-63.7177.6000110.8V85 A86 I90 I91 A92V85-L88 WeakPolarHBondContact O-CB 3.12Å; V85-L88 PolarHBondContact O-N 3.43Å; A86-L88 PolarHBondContact O-N 3.09Å; L88-I90 VanDerWaalsContact C-N 3.32Å; L88-I90 PolarHBondContact O-N 3.21Å; L88-I91 PolarHBondContact O-N 3.08Å; L88-I91 VanDerWaalsContact O-N 3.13Å; L88-A92 WeakPolarHBondContact O-CB 3.41Å; L88-A92 PolarHBondContact O-N 2.87Å
89D93.7Very high89.2Confident61 Ų6166.8 Ų66.833%0.32636%0.359SS..Hα-helixtrans-60.3-41.3176.6-65.5-23.7000111.3R83 V85 A86 A92 S93R83-D89 IonicContact CZ-OD2 3.15Å; R83-D89 IonicContact NE-OD2 3.85Å; R83-D89 PolarHBondContact NE-OD2 2.94Å; R83-D89 IonicContact NH2-OD2 3.31Å; R83-D89 PolarHBondContact NH2-OD2 3.28Å; V85-D89 PolarHBondContact O-N 3.46Å; A86-D89 PolarHBondContact O-N 3.11Å; D89-A92 PolarHBondContact O-N 3.1Å; D89-S93 VanDerWaalsContact O-CB 3.27Å; D89-S93 WeakPolarHBondContact O-CB 3.25Å; D89-S93 PolarHBondContact O-N 3.43Å; D89-S93 PolarHBondContact O-OG 3.12Å
90I93.8Very high88.3Confident24 Ų2471.5 Ų71.512%0.12338%0.382CS..Hα-helixtrans-63.1-43.7174.2-70.3161.3000111.1A2 V5 L6 L79 A86 L88 S93 G94A2-I90 HydrophobicContact CB-CB 4.2Å; A2-I90 HydrophobicContact CB-CD1 4.45Å; A2-I90 HydrophobicContact CB-CG2 3.86Å; V5-I90 HydrophobicContact CB-CG2 3.99Å; V5-I90 HydrophobicContact CG1-CG2 4.01Å; L6-I90 HydrophobicContact CD1-CD1 4.21Å; L6-I90 HydrophobicContact CD2-CG2 4.19Å; L6-I90 HydrophobicContact CG-CG2 4.06Å; L79-I90 HydrophobicContact CD1-CD1 4.05Å; A86-I90 WeakPolarHBondContact O-CB 3.37Å; A86-I90 WeakPolarHBondContact O-CD1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.24Å; A86-I90 PolarHBondContact O-N 3.42Å; L88-I90 VanDerWaalsContact C-N 3.32Å; L88-I90 PolarHBondContact O-N 3.21Å; I90-S93 PolarHBondContact O-N 3.48Å; I90-G94 PolarHBondContact O-N 2.69Å
91I91.5Very high87.1Confident7 Ų770.3 Ų70.34%0.03638%0.38CS..Hα-helixtrans-64.3-46.1179.1-67.5167.4000110.2M1 A2 Y38 I87 L88 G94 Q95M1-I91 HydrophobicContact CB-CD1 3.8Å; M1-I91 HydrophobicContact CB-CG1 4.03Å; A2-I91 HydrophobicContact CB-CG1 4.35Å; Y38-I91 HydrophobicContact CE2-CG2 4.02Å; I87-I91 HydrophobicContact CG2-CD1 4.27Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.24Å; I87-I91 PolarHBondContact O-N 2.9Å; L88-I91 PolarHBondContact O-N 3.08Å; L88-I91 VanDerWaalsContact O-N 3.13Å; I91-G94 PolarHBondContact O-N 3.49Å; I91-Q95 WeakPolarHBondContact O-CG 3.44Å; I91-Q95 PolarHBondContact O-N 2.93Å
92A90.9Very high85.5Confident37 Ų3768.8 Ų68.831%0.30638%0.381SS..Hα-helixtrans-62-43.6177.100000111.6L88 D89 G94 Q95 Q96L88-A92 WeakPolarHBondContact O-CB 3.41Å; L88-A92 PolarHBondContact O-N 2.87Å; D89-A92 PolarHBondContact O-N 3.1Å; A92-G94 VanDerWaalsContact C-N 3.33Å; A92-G94 PolarHBondContact O-N 3.35Å; A92-Q95 WeakPolarHBondContact O-CB 3.37Å; A92-Q95 PolarHBondContact O-N 2.73Å; A92-Q95 VanDerWaalsContact O-N 3.11Å; A92-Q96 WeakPolarHBondContact O-CG 3.35Å; A92-Q96 PolarHBondContact O-N 2.83Å
93S91.8Very high83.7Confident59 Ų5967.5 Ų67.541%0.41338%0.376SS..Hα-helixtrans-60.6-43.1175-59.30000111.5D89 I90 Q95 Q96 L97D89-S93 VanDerWaalsContact O-CB 3.27Å; D89-S93 WeakPolarHBondContact O-CB 3.25Å; D89-S93 PolarHBondContact O-N 3.43Å; D89-S93 PolarHBondContact O-OG 3.12Å; I90-S93 PolarHBondContact O-N 3.48Å; S93-Q95 VanDerWaalsContact C-N 3.29Å; S93-Q95 PolarHBondContact O-N 2.85Å; S93-Q96 PolarHBondContact O-N 2.99Å; S93-L97 WeakPolarHBondContact O-CB 3.4Å; S93-L97 WeakPolarHBondContact O-CG 3.18Å; S93-L97 PolarHBondContact O-N 2.82Å
94G90.5Very high81.9Confident0 Ų063.8 Ų63.80%038%0.381CS..Hα-helixtrans-61.5-36.2174.300000113.1I90 I91 A92 A98I90-G94 PolarHBondContact O-N 2.69Å; I91-G94 PolarHBondContact O-N 3.49Å; A92-G94 VanDerWaalsContact C-N 3.33Å; A92-G94 PolarHBondContact O-N 3.35Å; G94-A98 VanDerWaalsContact O-CB 3.28Å; G94-A98 WeakPolarHBondContact O-CB 3.29Å; G94-A98 PolarHBondContact O-N 3.21Å; G94-A98 VanDerWaalsContact O-N 3.07Å
95Q87.5Confident80.1Confident56 Ų5669.7 Ų69.726%0.26239%0.392SS..Hα-helixtrans-69.4-42.6175.4-72.4174.8-21.700111.8T21 I91 A92 S93 A98 T99T21-Q95 PolarHBondContact O-NE2 3.28Å; I91-Q95 WeakPolarHBondContact O-CG 3.44Å; I91-Q95 PolarHBondContact O-N 2.93Å; A92-Q95 WeakPolarHBondContact O-CB 3.37Å; A92-Q95 PolarHBondContact O-N 2.73Å; A92-Q95 VanDerWaalsContact O-N 3.11Å; S93-Q95 VanDerWaalsContact C-N 3.29Å; S93-Q95 PolarHBondContact O-N 2.85Å; Q95-A98 WeakPolarHBondContact O-CB 3.31Å; Q95-A98 PolarHBondContact O-N 3.35Å; Q95-T99 PolarHBondContact O-N 3.22Å; Q95-T99 PolarHBondContact O-OG1 3.3Å
96Q87.4Confident78Confident125 Ų12571 Ų7158%0.58440%0.401SS*.Hα-helixtrans-63.8-46.1176.2-69.4176.17.400111.8A92 S93 A98 T99 M100A92-Q96 WeakPolarHBondContact O-CG 3.35Å; A92-Q96 PolarHBondContact O-N 2.83Å; S93-Q96 PolarHBondContact O-N 2.99Å; Q96-A98 VanDerWaalsContact C-N 3.25Å; Q96-A98 PolarHBondContact O-N 3.27Å; Q96-T99 PolarHBondContact O-N 3.44Å; Q96-M100 PolarHBondContact O-N 2.9Å; Q96-M100 VanDerWaalsContact O-N 3.13Å
97L85.6Confident76.2Confident69 Ų6973 Ų7336%0.36141%0.41SS..Hα-helixtrans-59.4-37175-75.1169.2000112.1L17 S93 T99 M100 S101L17-L97 HydrophobicContact CD1-CB 4.15Å; L17-L97 HydrophobicContact CD1-CD1 4.46Å; S93-L97 WeakPolarHBondContact O-CB 3.4Å; S93-L97 WeakPolarHBondContact O-CG 3.18Å; S93-L97 PolarHBondContact O-N 2.82Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 3.37Å; L97-M100 PolarHBondContact O-N 3.02Å; L97-S101 PolarHBondContact O-N 3.25Å
98A81.6Confident74.5Confident4 Ų479.9 Ų79.93%0.03344%0.439CS..Hα-helixtrans-68.4-22.9176.200000114.1L17 H18 G94 Q95 Q96L17-A98 HydrophobicContact CB-CB 4.17Å; H18-A98 HydrophobicContact CB-CB 4.47Å; H18-A98 PolarHBondContact ND1-O 3.28Å; G94-A98 VanDerWaalsContact O-CB 3.28Å; G94-A98 WeakPolarHBondContact O-CB 3.29Å; G94-A98 PolarHBondContact O-N 3.21Å; G94-A98 VanDerWaalsContact O-N 3.07Å; Q95-A98 WeakPolarHBondContact O-CB 3.31Å; Q95-A98 PolarHBondContact O-N 3.35Å; Q96-A98 VanDerWaalsContact C-N 3.25Å; Q96-A98 PolarHBondContact O-N 3.27Å
99T75.3Confident73.2Confident117 Ų11781.8 Ų81.872%0.71844%0.44SS*.Hα-helixtrans-84-30.8174.1-56.50000111.5Q95 Q96 L97Q95-T99 PolarHBondContact O-N 3.22Å; Q95-T99 PolarHBondContact O-OG1 3.3Å; Q96-T99 PolarHBondContact O-N 3.44Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 3.37Å
100M70.5Confident72.2Confident149 Ų14981.6 Ų81.673%0.73444%0.441SS*.Hα-helixtrans-73.3-26.9177.8-68.7-179.717500113.5Q96 L97 S102Q96-M100 PolarHBondContact O-N 2.9Å; Q96-M100 VanDerWaalsContact O-N 3.13Å; L97-M100 PolarHBondContact O-N 3.02Å; M100-S102 PolarHBondContact O-N 3.35Å; M100-S102 VanDerWaalsContact O-N 3.12Å
101S63.4Low71.8Confident31 Ų3187.6 Ų87.622%0.21747%0.467CS..  trans-79.895.5176.971.10000111.1L97 L103L97-S101 PolarHBondContact O-N 3.25Å; S101-L103 PolarHBondContact O-N 3.18Å; S101-L103 VanDerWaalsContact O-N 3.11Å
102S52.4Low71.7Confident119 Ų11987.4 Ų87.483%0.83247%0.466SS*.  trans-68.51.8168.9540000113.6M100 G104M100-S102 PolarHBondContact O-N 3.35Å; M100-S102 VanDerWaalsContact O-N 3.12Å; S102-G104 VanDerWaalsContact C-N 3.26Å; S102-G104 PolarHBondContact O-N 3.39Å; S102-G104 VanDerWaalsContact O-N 3.1Å
103L53.1Low71.7Confident118 Ų11892.2 Ų92.262%0.61848%0.482SS*.  trans-87.142.1-174.6-72.8159.4000113.4H15 S101 R105H15-L103 PolarHBondContact CE1-O 3.42Å; H15-L103 PolarHBondContact ND1-O 2.89Å; S101-L103 PolarHBondContact O-N 3.18Å; S101-L103 VanDerWaalsContact O-N 3.11Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.28Å
104G53.7Low71.6Confident63 Ų6394.4 Ų94.465%0.64949%0.485SS*.  trans-71.284.5167.500000109.8S102 P106S102-G104 VanDerWaalsContact C-N 3.26Å; S102-G104 PolarHBondContact O-N 3.39Å; S102-G104 VanDerWaalsContact O-N 3.1Å; G104-P106 VanDerWaalsContact O-CD 3.28Å; G104-P106 WeakPolarHBondContact O-CD 3.3Å; G104-P106 VanDerWaalsContact O-N 3.15Å
105R50.2Low71.7Confident214 Ų21497.3 Ų97.381%0.80851%0.505SS*.  trans-56121.4163.4-107.4-174-178.7-175.11.2106.8L103 L107L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.28Å; R105-L107 PolarHBondContact O-N 3.49Å
106P50Low71.7Confident100 Ų10096.8 Ų96.865%0.64952%0.515SS*.  trans-59.1116.6166.123.9-30000106.4G104 F108G104-P106 VanDerWaalsContact O-CD 3.28Å; G104-P106 WeakPolarHBondContact O-CD 3.3Å; G104-P106 VanDerWaalsContact O-N 3.15Å; P106-F108 PolarHBondContact O-N 2.93Å; P106-F108 VanDerWaalsContact O-N 3.14Å
107L54.8Low71.6Confident60 Ų6094.1 Ų94.131%0.31451%0.51SS..  trans-75104.1169.7-75.3-175.7000105.6R19 R105 R109R19-L107 VanDerWaalsContact CZ-CD1 3.43Å; R19-L107 VanDerWaalsContact NH2-CG 3.35Å; R105-L107 PolarHBondContact O-N 3.49Å; L107-R109 PolarHBondContact O-N 3.25Å
108F56.6Low71.3Confident173 Ų17394.4 Ų94.476%0.75951%0.514SS*.  trans-57.5113.3159.6-72.8-83.1000106.8P106 T110P106-F108 PolarHBondContact O-N 2.93Å; P106-F108 VanDerWaalsContact O-N 3.14Å; F108-T110 PolarHBondContact O-N 3.28Å; F108-T110 VanDerWaalsContact O-N 3.17Å
109R63.2Low71.2Confident131 Ų13195 Ų9549%0.49452%0.518SS..PPolyproline II helixtrans-60.6118.3167.7-78.1177.6178.1-115.62.7106.8E27 L107 V118E27-R109 IonicContact OE2-CZ 3.52Å; E27-R109 IonicContact OE2-NE 3.77Å; E27-R109 PolarHBondContact OE2-NE 3.4Å; E27-R109 VanDerWaalsContact OE2-NE 3.07Å; E27-R109 IonicContact OE2-NH2 3.92Å; L107-R109 PolarHBondContact O-N 3.25Å; R109-V118 HydrophobicContact CB-CG1 4.03Å; R109-V118 HydrophobicContact CG-CG1 3.94Å
110T72.8Confident71.1Confident58 Ų5892.8 Ų92.836%0.35651%0.507SS..EExtended strand (participates in β ladder)trans-99.7154.3169.5520000108.8F108 S119 N121F108-T110 PolarHBondContact O-N 3.28Å; F108-T110 VanDerWaalsContact O-N 3.17Å; T110-S119 PolarHBondContact N-O 3.09Å; T110-S119 VanDerWaalsContact N-O 3.11Å; T110-S119 PolarHBondContact O-N 3.3Å; T110-S119 PolarHBondContact OG1-O 3.04Å; T110-N121 PolarHBondContact OG1-O 2.92Å
111F85.1Confident71.4Confident150 Ų15089.5 Ų89.566%0.65849%0.493SS*.EExtended strand (participates in β ladder)trans-84.1138.5166.4-63.6-77000108.6H113 G116 V118F111-H113 PolarHBondContact O-N 2.87Å; F111-G116 WeakPolarHBondContact CD1-O 3.18Å; F111-V118 HydrophobicContact CD1-CG2 4.32Å; F111-V118 HydrophobicContact CE1-CG2 4.01Å
112C89.6Confident72.4Confident2 Ų292 Ų921%0.01451%0.511CS..PPolyproline II helixtrans-57.2123.2170-179.30000108.4Q114 C115 G116 S117 S122 C124C112-Q114 PolarHBondContact O-N 3.32Å; C112-C115 VanDerWaalsContact CB-SG 3.57Å; C112-G116 WeakPolarHBondContact O-CA 3.4Å; C112-G116 PolarHBondContact O-N 2.96Å; C112-S117 VanDerWaalsContact CB-O 3.29Å; C112-S117 WeakPolarHBondContact CB-O 3.39Å; C112-S117 PolarHBondContact N-O 3.44Å; C112-S122 WeakPolarHBondContact CA-O 3.3Å; C112-C124 HydrophobicContact CB-CB 3.97Å; C112-C124 PolarHBondContact SG-N 3.26Å
113H91Very high73.9Confident139 Ų13987.7 Ų87.764%0.64448%0.478SS*.THydrogen-bonded Turntrans-65.8-21.1179.970.6-82.6000113.1F111 S122F111-H113 PolarHBondContact O-N 2.87Å; H113-S122 PolarHBondContact N-O 3.06Å; H113-S122 PolarHBondContact ND1-O 2.94Å
114Q89.5Confident75.6Confident104 Ų10482.8 Ų82.849%0.48645%0.453SS..THydrogen-bonded Turntrans-88.9-43-179.6-171.2177.6-1.600113.6C112 L123 C127C112-Q114 PolarHBondContact O-N 3.32Å; Q114-L123 HydrophobicContact CB-CD1 3.83Å; Q114-C127 HydrophobicContact CB-CB 4.49Å; Q114-C127 VanDerWaalsContact OE1-CB 3.32Å
115C91.9Very high77Confident62 Ų6286 Ų8642%0.41945%0.451SS..THydrogen-bonded Turntrans-116.2-3.7-175.770.20000114.8C112 S117 C124C112-C115 VanDerWaalsContact CB-SG 3.57Å; C115-S117 PolarHBondContact O-N 3.46Å; C115-S117 VanDerWaalsContact SG-CB 3.59Å; C115-C124 VanDerWaalsContact SG-SG 3.7Å
116G87.5Confident78.7Confident45 Ų4578.7 Ų78.746%0.46444%0.437SS..  trans70.6-6.4-17700000115F111 C112F111-G116 WeakPolarHBondContact CD1-O 3.18Å; C112-G116 WeakPolarHBondContact O-CA 3.4Å; C112-G116 PolarHBondContact O-N 2.96Å
117S85.1Confident80.5Confident68 Ų6874.4 Ų74.448%0.47641%0.409SS..  trans-68.7149178.2-62.10000112.2C112 C115 S119C112-S117 VanDerWaalsContact CB-O 3.29Å; C112-S117 WeakPolarHBondContact CB-O 3.39Å; C112-S117 PolarHBondContact N-O 3.44Å; C115-S117 PolarHBondContact O-N 3.46Å; C115-S117 VanDerWaalsContact SG-CB 3.59Å; S117-S119 PolarHBondContact O-N 2.86Å
118V80.6Confident82.1Confident76 Ų7673.6 Ų73.646%0.46141%0.41SS..EExtended strand (participates in β ladder)trans-59130.8176.4-176.30000110.8R109 F111R109-V118 HydrophobicContact CB-CG1 4.03Å; R109-V118 HydrophobicContact CG-CG1 3.94Å; F111-V118 HydrophobicContact CD1-CG2 4.32Å; F111-V118 HydrophobicContact CE1-CG2 4.01Å
119S79.4Confident83.4Confident15 Ų1570.8 Ų70.811%0.10540%0.403CS..EExtended strand (participates in β ladder)trans-142155.5180-1680000111.9T110 S117 N121 C124T110-S119 PolarHBondContact N-O 3.09Å; T110-S119 VanDerWaalsContact N-O 3.11Å; T110-S119 PolarHBondContact O-N 3.3Å; T110-S119 PolarHBondContact OG1-O 3.04Å; S117-S119 PolarHBondContact O-N 2.86Å; S119-N121 VanDerWaalsContact C-N 3.27Å; S119-N121 VanDerWaalsContact CB-O 3.25Å; S119-N121 WeakPolarHBondContact CB-O 3.41Å; S119-N121 PolarHBondContact OG-N 2.87Å; S119-N121 PolarHBondContact OG-O 2.84Å; S119-C124 WeakPolarHBondContact OG-CA 3.43Å
120S71.7Confident84.5Confident71 Ų7168.8 Ų68.850%0.49740%0.401SS..SBendtrans-82-8.2168.259.80000113
121N77Confident85Confident80 Ų8069 Ų6943%0.42840%0.398SS..SBendtrans-124.7167.5-179.6-61.6-28.5000109.3T110 S119 L123T110-N121 PolarHBondContact OG1-O 2.92Å; S119-N121 VanDerWaalsContact C-N 3.27Å; S119-N121 VanDerWaalsContact CB-O 3.25Å; S119-N121 WeakPolarHBondContact CB-O 3.41Å; S119-N121 PolarHBondContact OG-N 2.87Å; S119-N121 PolarHBondContact OG-O 2.84Å; N121-L123 WeakPolarHBondContact CB-O 3.06Å; N121-L123 PolarHBondContact O-N 3.04Å
122S84.3Confident84.7Confident85 Ų8563.3 Ų63.359%0.59438%0.382SS*.SBendtrans-62.1-30.6171.856.50000113C112 H113C112-S122 WeakPolarHBondContact CA-O 3.3Å; H113-S122 PolarHBondContact N-O 3.06Å; H113-S122 PolarHBondContact ND1-O 2.94Å
123L85.5Confident84.1Confident27 Ų2768 Ų6814%0.14141%0.406CS..SBendtrans-119.1129175.2-170.768.5000109.6Q114 N121 C127 A128Q114-L123 HydrophobicContact CB-CD1 3.83Å; N121-L123 WeakPolarHBondContact CB-O 3.06Å; N121-L123 PolarHBondContact O-N 3.04Å; L123-C127 HydrophobicContact CD1-CB 3.6Å; L123-C127 HydrophobicContact CG-CB 3.97Å; L123-A128 HydrophobicContact CD2-CB 3.83Å; L123-A128 HydrophobicContact CG-CB 4.32Å
124C87.8Confident83.5Confident16 Ų1668 Ų6811%0.10841%0.406CS..  trans-71.1154.4179.183.30000111.8C112 C115 S119 A126 C127 A128C112-C124 HydrophobicContact CB-CB 3.97Å; C112-C124 PolarHBondContact SG-N 3.26Å; C115-C124 VanDerWaalsContact SG-SG 3.7Å; S119-C124 WeakPolarHBondContact OG-CA 3.43Å; C124-A126 PolarHBondContact O-N 3.34Å; C124-C127 PolarHBondContact O-N 3.48Å; C124-C127 PolarHBondContact SG-N 3.14Å; C124-C127 VanDerWaalsContact SG-N 3.37Å; C124-C127 PolarHBondContact SG-SG 3.2Å; C124-A128 PolarHBondContact O-N 2.85Å
125H83.4Confident82.8Confident131 Ų13172.7 Ų72.761%0.60642%0.419SS*.Hα-helixtrans-58.1-34.8-177.8-102.9-58.4000113.3L129H125-L129 WeakPolarHBondContact O-CB 3.32Å; H125-L129 PolarHBondContact O-N 2.7Å
126A85.9Confident81.2Confident60 Ų6076 Ų7650%0.49643%0.433SS..Hα-helixtrans-66.8-47177.500000111.5C124 L129 L130C124-A126 PolarHBondContact O-N 3.34Å; A126-L129 WeakPolarHBondContact O-CB 3.47Å; A126-L129 PolarHBondContact O-N 3.39Å; A126-L130 WeakPolarHBondContact O-CG 3.43Å; A126-L130 PolarHBondContact O-N 2.74Å
127C88.8Confident79.1Confident10 Ų1077.3 Ų77.37%0.06844%0.435CS..Hα-helixtrans-61.9-43.6174.8-72.40000112Q114 L123 C124 L129 L130 E131Q114-C127 HydrophobicContact CB-CB 4.49Å; Q114-C127 VanDerWaalsContact OE1-CB 3.32Å; L123-C127 HydrophobicContact CD1-CB 3.6Å; L123-C127 HydrophobicContact CG-CB 3.97Å; C124-C127 PolarHBondContact O-N 3.48Å; C124-C127 PolarHBondContact SG-N 3.14Å; C124-C127 VanDerWaalsContact SG-N 3.37Å; C124-C127 PolarHBondContact SG-SG 3.2Å; C127-L129 VanDerWaalsContact C-N 3.29Å; C127-L129 PolarHBondContact O-N 2.78Å; C127-L130 PolarHBondContact O-N 3.28Å; C127-E131 PolarHBondContact O-N 2.82Å
128A87.4Confident76.8Confident42 Ų4280.9 Ų80.935%0.34745%0.447SS..Hα-helixtrans-61.4-36.9175.500000112.7L123 C124 G132L123-A128 HydrophobicContact CD2-CB 3.83Å; L123-A128 HydrophobicContact CG-CB 4.32Å; C124-A128 PolarHBondContact O-N 2.85Å; A128-G132 PolarHBondContact O-N 2.65Å
129L84.2Confident74.7Confident114 Ų11482.6 Ų82.660%0.59746%0.459SS*.Hα-helixtrans-66.4-46.4173.5-97.5152.9000111.8H125 A126 C127 G132 L133H125-L129 WeakPolarHBondContact O-CB 3.32Å; H125-L129 PolarHBondContact O-N 2.7Å; A126-L129 WeakPolarHBondContact O-CB 3.47Å; A126-L129 PolarHBondContact O-N 3.39Å; C127-L129 VanDerWaalsContact C-N 3.29Å; C127-L129 PolarHBondContact O-N 2.78Å; L129-G132 PolarHBondContact O-N 2.9Å; L129-G132 VanDerWaalsContact O-N 3.17Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 3.42Å
130L85.7Confident72.8Confident89 Ų8990 Ų9047%0.46650%0.497SS..Hα-helixtrans-61.9-42.2177.4-71.2170.5000111.6A126 C127 G132 L133 H134A126-L130 WeakPolarHBondContact O-CG 3.43Å; A126-L130 PolarHBondContact O-N 2.74Å; C127-L130 PolarHBondContact O-N 3.28Å; L130-G132 VanDerWaalsContact C-N 3.35Å; L130-G132 PolarHBondContact O-N 3.47Å; L130-L133 PolarHBondContact O-N 3.4Å; L130-H134 WeakPolarHBondContact O-CB 3.34Å; L130-H134 PolarHBondContact O-N 3.32Å
131E83.7Confident70.9Confident63 Ų6395 Ų9529%0.29451%0.513SS..Hα-helixtrans-60.3-44.1171.9-79-170.8-176.800112C127 L133 H134 R135C127-E131 PolarHBondContact O-N 2.82Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.18Å; E131-H134 PolarHBondContact O-N 3.03Å; E131-R135 WeakPolarHBondContact O-CG 3.47Å; E131-R135 PolarHBondContact O-N 3.38Å; E131-R135 IonicContact OE2-NH2 3.93Å
132G78.9Confident68.8Low30 Ų3095.4 Ų95.431%0.30954%0.536SS..Hα-helixtrans-59.8-42.7175.900000112.3A128 L129 L130 R135 L136A128-G132 PolarHBondContact O-N 2.65Å; L129-G132 PolarHBondContact O-N 2.9Å; L129-G132 VanDerWaalsContact O-N 3.17Å; L130-G132 VanDerWaalsContact C-N 3.35Å; L130-G132 PolarHBondContact O-N 3.47Å; G132-R135 PolarHBondContact O-N 2.78Å; G132-L136 VanDerWaalsContact O-CG 3.28Å; G132-L136 WeakPolarHBondContact O-CG 3.5Å; G132-L136 PolarHBondContact O-N 3.45Å; G132-L136 VanDerWaalsContact O-N 3.08Å
133L76.9Confident66.1Low101 Ų10196.9 Ų96.953%0.52954%0.537SS..Hα-helixtrans-65.9-42.3176-71.4169000111.8L129 L130 E131 R135 L136 S137L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 3.42Å; L130-L133 PolarHBondContact O-N 3.4Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.18Å; L133-R135 VanDerWaalsContact C-N 3.26Å; L133-R135 PolarHBondContact O-N 3Å; L133-L136 CarbonylContact O-C 3.58Å; L133-L136 PolarHBondContact O-N 3.44Å; L133-S137 PolarHBondContact O-N 3.42Å; L133-S137 PolarHBondContact O-OG 3.44Å
134H78.4Confident63.6Low138 Ų138107.6 Ų107.664%0.63958%0.575SS**Hα-helixtrans-64.4-30176-67.9168.2000113L130 E131 S137L130-H134 WeakPolarHBondContact O-CB 3.34Å; L130-H134 PolarHBondContact O-N 3.32Å; E131-H134 PolarHBondContact O-N 3.03Å; H134-S137 VanDerWaalsContact C-OG 3.25Å; H134-S137 VanDerWaalsContact CA-OG 3.26Å; H134-S137 WeakPolarHBondContact CA-OG 3.26Å; H134-S137 PolarHBondContact O-OG 3.34Å
135R75.3Confident61Low203 Ų203115.8 Ų115.877%0.76660%0.604SS**Hα-helixtrans-74.9-28.6172.2-69.9176.8-166.8-1767.8112.7E131 G132 L133E131-R135 WeakPolarHBondContact O-CG 3.47Å; E131-R135 PolarHBondContact O-N 3.38Å; E131-R135 IonicContact OE2-NH2 3.93Å; G132-R135 PolarHBondContact O-N 2.78Å; L133-R135 VanDerWaalsContact C-N 3.26Å; L133-R135 PolarHBondContact O-N 3Å
136L57.7Low58.3Low133 Ų133119.2 Ų119.270%0.69662%0.617SS**Hα-helixtrans-86.1-18.8178.4-71.1169.8000113.1G132 L133 I138G132-L136 VanDerWaalsContact O-CG 3.28Å; G132-L136 WeakPolarHBondContact O-CG 3.5Å; G132-L136 PolarHBondContact O-N 3.45Å; G132-L136 VanDerWaalsContact O-N 3.08Å; L133-L136 CarbonylContact O-C 3.58Å; L133-L136 PolarHBondContact O-N 3.44Å; L136-I138 PolarHBondContact O-N 3.21Å
137S43.4Very low55.7Low72 Ų72124.5 Ų124.550%0.50364%0.636SS.*  trans-67.983.3171.541.90000109.8L133 H134L133-S137 PolarHBondContact O-N 3.42Å; L133-S137 PolarHBondContact O-OG 3.44Å; H134-S137 VanDerWaalsContact C-OG 3.25Å; H134-S137 VanDerWaalsContact CA-OG 3.26Å; H134-S137 WeakPolarHBondContact CA-OG 3.26Å; H134-S137 PolarHBondContact O-OG 3.34Å
138I36.6Very low52.6Low142 Ų142129.5 Ų129.573%0.72867%0.671SS**  trans-53.4122.6153.8-58.6167.7000105.4L136 L140L136-I138 PolarHBondContact O-N 3.21Å; I138-L140 PolarHBondContact O-N 3.26Å
139P37Very low49.9Very low112 Ų112133.3 Ų133.373%0.72769%0.691SS**  trans-57.8111.2-179.7-21.631.3000109.6Q141P139-Q141 PolarHBondContact O-N 3Å
140L40Very low47.3Very low171 Ų171134.6 Ų134.690%0.89571%0.706SS**SBendtrans-75.262.7170.8-73.9169.1000108.8I138I138-L140 PolarHBondContact O-N 3.26Å
141Q31.3Very low44.7Very low177 Ų177133.4 Ų133.483%0.82772%0.715SS**SBendtrans-160.4115.9166.2-110165.528.300109P139 D143P139-Q141 PolarHBondContact O-N 3Å; Q141-D143 PolarHBondContact O-N 3.49Å; Q141-D143 VanDerWaalsContact O-N 3.09Å
142G33.6Very low42.1Very low88 Ų88138.3 Ų138.391%0.90774%0.743SS**  trans-63.9108.3176.500000110.7
143D27.1Very low39.6Very low116 Ų116143.2 Ų143.262%0.6277%0.767SS**  trans-134.7101.4148.7-150.4-15.9000107.4Q141 R145Q141-D143 PolarHBondContact O-N 3.49Å; Q141-D143 VanDerWaalsContact O-N 3.09Å; D143-R145 PolarHBondContact O-N 3.4Å; D143-R145 IonicContact OD1-NE 2.78Å; D143-R145 IonicContact OD1-NH2 3.37Å
144R32.3Very low37.3Very low251 Ų251145.3 Ų145.395%0.94778%0.779SS**  trans-72.468.9178.8-73.5-177.3174-173.9-1.7109.5
145R32.9Very low34.9Very low188 Ų188147.6 Ų147.671%0.70980%0.795SS**  trans-141.932.4175.8-89.3-167.8-81.5-172.4-4.3115.3D143D143-R145 PolarHBondContact O-N 3.4Å; D143-R145 IonicContact OD1-NE 2.78Å; D143-R145 IonicContact OD1-NH2 3.37Å
146F26.4Very low32.6Very low203 Ų203143.9 Ų143.989%0.8980%0.795SS**SBendtrans-151.397.4156.2-68.5-80.8000105.3
147L31.3Very low31.1Very low171 Ų171141.2 Ų141.290%0.89579%0.792SS**  -16192.686.3-76.9159000108
148S25.1Very low30.3Very low115 Ų115145.8 Ų145.880%0.80481%0.809SS**  trans-118.191.7158.158.40000107
149T30.1Very low29.8Very low123 Ų123147.6 Ų147.676%0.75581%0.814SS**  trans-126.3118.1155.446.30000106.6G151T149-G151 PolarHBondContact O-N 3.27Å
150P30.3Very low29.3Very low141 Ų141151.1 Ų151.192%0.91682%0.821SS**  trans-78121.7-179.227.3-24.9000109.5
151G30.4Very low28.8Very low63 Ų63150.6 Ų150.665%0.64982%0.817SS**  trans137.972.3174.300000112.1T149T149-G151 PolarHBondContact O-N 3.27Å
152D28.7Very low28.4Very low167 Ų167146.7 Ų146.789%0.89381%0.809SS**  trans-170.981.6147.2-92.3-20.4000107.2D154D152-D154 PolarHBondContact O-N 2.68Å
153T27.2Very low28.1Very low133 Ų133150.8 Ų150.882%0.81681%0.809SS**  trans-70106.2157.140.90000107.1
154D27.8Very low28.1Very low145 Ų145149 Ų14978%0.77581%0.805SS**  trans-170.482.5149.2-89.9-22.8000108.8D152 V156D152-D154 PolarHBondContact O-N 2.68Å; D154-V156 HydrophobicContact CB-CG2 4.12Å; D154-V156 PolarHBondContact O-N 3.26Å
155L27.9Very low27.9Very low186 Ų186143.9 Ų143.997%0.97480%0.796SS**  trans-68.182.2156.8-82.3159.8000107A157L155-A157 PolarHBondContact O-N 2.98Å; L155-A157 VanDerWaalsContact O-N 3.09Å
156V27Very low27.9Very low125 Ų125145.2 Ų145.276%0.75881%0.807SS**  trans-67.7110.4173-174.80000107.5D154D154-V156 HydrophobicContact CB-CG2 4.12Å; D154-V156 PolarHBondContact O-N 3.26Å
157A26.8Very low28Very low77 Ų77143.6 Ų143.664%0.63680%0.802SS**  trans-50.8136.8172.900000110.3L155 E159L155-A157 PolarHBondContact O-N 2.98Å; L155-A157 VanDerWaalsContact O-N 3.09Å; A157-E159 VanDerWaalsContact C-N 3.31Å; A157-E159 PolarHBondContact O-N 3.27Å
158I26.8Very low27.9Very low168 Ų168139.5 Ų139.586%0.86280%0.801SS**  trans-67.992.1173.3-62.3169.9000106.6E160I158-E160 PolarHBondContact O-N 2.81Å
159E25.7Very low28.1Very low179 Ų179144.8 Ų144.884%0.83680%0.804SS**  trans-67.9124.9169.3-81.1-173.9159.500109.5A157 I161A157-E159 VanDerWaalsContact C-N 3.31Å; A157-E159 PolarHBondContact O-N 3.27Å; E159-I161 PolarHBondContact O-N 2.96Å
160E27.3Very low27.9Very low186 Ų186146.6 Ų146.687%0.86981%0.809SS**  trans-55.2130.6176.1-69.9176.2138.400111.3I158 C162I158-E160 PolarHBondContact O-N 2.81Å; E160-C162 PolarHBondContact O-N 3.12Å
161I28.9Very low27.9Very low160 Ų160145.6 Ų145.682%0.82180%0.804SS**  trans-70.9103.8173.1-64.8170.1000107.8E159 L163E159-I161 PolarHBondContact O-N 2.96Å; I161-L163 PolarHBondContact O-N 2.88Å
162C23.9Very low27.7Very low96 Ų96148.8 Ų148.865%0.64981%0.811SS**  trans-61.2124.7171.5-168.50000110.8E160 C164E160-C162 PolarHBondContact O-N 3.12Å; C162-C164 PolarHBondContact O-N 3.24Å; C162-C164 PolarHBondContact SG-SG 2.81Å
163L27.6Very low27.7Very low174 Ų174149.9 Ų149.991%0.91181%0.808SS**  trans-9368175.6-83.9157.7000110.4I161I161-L163 PolarHBondContact O-N 2.88Å
164C26Very low27.9Very low79 Ų79148 Ų14853%0.53480%0.8SS.*  trans-162.7131.6161.457.70000105.9C162C162-C164 PolarHBondContact O-N 3.24Å; C162-C164 PolarHBondContact SG-SG 2.81Å
165D28.2Very low28.1Very low142 Ų142145.8 Ų145.876%0.75980%0.802SS**  -154135.161.7-80.1-42.9000112.3E167D165-E167 VanDerWaalsContact C-N 3.26Å; D165-E167 PolarHBondContact O-N 3.04Å; D165-E167 VanDerWaalsContact O-N 3.17Å
166F32.8Very low28.2Very low216 Ų216143.7 Ų143.795%0.94779%0.79SS**  trans-77.574.6160.6-113.1-93.3000108.1
167E28.3Very low28.4Very low169 Ų169146.4 Ų146.479%0.7980%0.797SS**SBendtrans-164116.5161.9-111.4168.5-144.700109.9D165 R169D165-E167 VanDerWaalsContact C-N 3.26Å; D165-E167 PolarHBondContact O-N 3.04Å; D165-E167 VanDerWaalsContact O-N 3.17Å; E167-R169 PolarHBondContact O-N 3.03Å; E167-R169 VanDerWaalsContact O-N 3.07Å
168G28.8Very low28.5Very low85 Ų85152 Ų15288%0.87681%0.807SS**  trans-58.7110.9-170.500000113.2
169R30.2Very low28.6Very low227 Ų227151.5 Ų151.586%0.85781%0.806SS**  trans-138125.6154.8-86.9-173.2-92.4-162-5.3109.8E167 C171E167-R169 PolarHBondContact O-N 3.03Å; E167-R169 VanDerWaalsContact O-N 3.07Å; R169-C171 PolarHBondContact O-N 3.18Å; R169-C171 VanDerWaalsContact O-N 3.09Å
170D26.7Very low28.7Very low161 Ų161153.6 Ų153.686%0.86181%0.806SS**  trans-54.3106.3179.7-76.4-49.5000111.7T172D170-T172 PolarHBondContact O-N 3.26Å
171C29.5Very low28.8Very low120 Ų120147.5 Ų147.581%0.81178%0.784SS**  trans-94.485.8168.4-151.50000109.1R169 K173R169-C171 PolarHBondContact O-N 3.18Å; R169-C171 VanDerWaalsContact O-N 3.09Å; C171-K173 VanDerWaalsContact C-N 3.28Å; C171-K173 PolarHBondContact O-N 2.7Å
172T26.7Very low29Very low130 Ų130144.7 Ų144.780%0.79878%0.776SS**  trans-71.679.2167.748.90000110.1D170D170-T172 PolarHBondContact O-N 3.26Å
173K28.1Very low29.3Very low190 Ų190147.7 Ų147.783%0.82678%0.775SS**  trans-143121.2162.3-74.6-167179.31750112.6C171C171-K173 VanDerWaalsContact C-N 3.28Å; C171-K173 PolarHBondContact O-N 2.7Å
174S30.4Very low29.5Very low92 Ų92144.7 Ų144.764%0.64377%0.767SS**  trans72.4100.7159.3-156.90000118.7I176S174-I176 PolarHBondContact O-N 3.13Å
175A32.1Very low29.8Very low100 Ų100144.8 Ų144.883%0.82677%0.774SS**THydrogen-bonded Turntrans-68.127.9175.900000115.4
176I29.9Very low30Very low141 Ų141141.2 Ų141.272%0.72375%0.754SS**THydrogen-bonded Turntrans-94-9.9-174.8-62178.3000113S174 K178S174-I176 PolarHBondContact O-N 3.13Å; I176-K178 PolarHBondContact O-N 3.27Å
177M31.4Very low30.1Very low183 Ų183138.8 Ų138.890%0.90175%0.745SS**G310 helixtrans-84.9-0179.7-75.5-15715200116.6N179M177-N179 PolarHBondContact O-N 2.81Å
178K29.9Very low30.3Very low195 Ų195133.3 Ų133.385%0.84873%0.729SS**G310 helixtrans-82.2-0.3-179.3-80.2-172.2178.5178.10116.1I176I176-K178 PolarHBondContact O-N 3.27Å
179N27.7Very low30.5Very low157 Ų157133.3 Ų133.384%0.8471%0.709SS**G310 helixtrans-108.412.6-176.3-90.2-6.6000116.2M177 S181M177-N179 PolarHBondContact O-N 2.81Å; N179-S181 PolarHBondContact O-N 3.3Å
180R28.1Very low30.9Very low222 Ų222128.2 Ų128.284%0.83871%0.705SS**SBendtrans-72.7105.2160-79.6-169.2179.1-175.21.7108.2
181S29.6Very low31.3Very low58 Ų58129.5 Ų129.541%0.40670%0.703SS.*  trans-51133.3170.2-176.40000109.7N179 Y183 C184N179-S181 PolarHBondContact O-N 3.3Å; S181-Y183 PolarHBondContact O-N 2.86Å; S181-Y183 WeakPolarHBondContact OG-CD2 3.39Å; S181-Y183 WeakPolarHBondContact OG-CE2 3.43Å; S181-C184 PolarHBondContact O-N 3.24Å
182P32.6Very low31.3Very low101 Ų101127.9 Ų127.966%0.65669%0.686SS**G310 helixtrans-60.2-2.7179.520.8-30.2000113.9C184 A185P182-C184 PolarHBondContact O-N 3.49Å; P182-A185 PolarHBondContact O-N 3.03Å
183Y30.1Very low31.5Very low160 Ų160124.5 Ų124.563%0.62767%0.668SS**G310 helixtrans-59.5-25.2171-67.5-57.3000114.4S181S181-Y183 PolarHBondContact O-N 2.86Å; S181-Y183 WeakPolarHBondContact OG-CD2 3.39Å; S181-Y183 WeakPolarHBondContact OG-CE2 3.43Å
184C32Very low31.7Very low111 Ų111120.7 Ų120.775%0.7566%0.662SS**G310 helixtrans-78.5-17.9-179.4-83.80000114.9S181 P182S181-C184 PolarHBondContact O-N 3.24Å; P182-C184 PolarHBondContact O-N 3.49Å
185A32.4Very low32Very low80 Ų80120.7 Ų120.766%0.66166%0.662SS**SBendtrans-95.3-7.6-173.100000114.7P182 H187P182-A185 PolarHBondContact O-N 3.03Å; A185-H187 VanDerWaalsContact C-N 3.35Å; A185-H187 PolarHBondContact O-N 3.17Å
186I32.9Very low32.3Very low68 Ų68119.8 Ų119.835%0.34965%0.646SS.*THydrogen-bonded Turntrans-87.92.9-168.2-58.2174.8000113.4Y68 A188Y68-I186 HydrophobicContact CD2-CG2 3.49Å; Y68-I186 VanDerWaalsContact CD2-CG2 3.49Å; Y68-I186 HydrophobicContact CE2-CG2 3.36Å; Y68-I186 HydrophobicContact CG-CG2 4.31Å; I186-A188 VanDerWaalsContact C-N 3.31Å; I186-A188 PolarHBondContact O-N 3.41Å
187H35.8Very low32.7Very low164 Ų164117.4 Ų117.476%0.75964%0.642SS**THydrogen-bonded Turntrans-82.3-1.8176.3-75.1-71000115A185 N189A185-H187 VanDerWaalsContact C-N 3.35Å; A185-H187 PolarHBondContact O-N 3.17Å; H187-N189 PolarHBondContact O-N 2.8Å
188A32.6Very low33.2Very low55 Ų55114.2 Ų114.246%0.45563%0.633SS.*SBendtrans-85.8114.1173.300000110.4I186I186-A188 VanDerWaalsContact C-N 3.31Å; I186-A188 PolarHBondContact O-N 3.41Å
189N31.4Very low34.3Very low84 Ų84110 Ų11045%0.44962%0.616SS.*  trans-53.1123.9164.2-173.7-2.8000108.6H187 F191 I192H187-N189 PolarHBondContact O-N 2.8Å; N189-F191 PolarHBondContact O-N 2.8Å; N189-I192 HydrophobicContact CB-CD1 4.32Å; N189-I192 HydrophobicContact CB-CG1 4.47Å; N189-I192 PolarHBondContact O-N 3.35Å
190P38.5Very low35.4Very low120 Ų120108.1 Ų108.178%0.77961%0.606SS**THydrogen-bonded Turntrans-65.1-6-171.623.4-33.8000115
191F35.4Very low36.9Very low188 Ų188105 Ų10583%0.82560%0.604SS**THydrogen-bonded Turntrans-89.2-3.7171.8-64.2-75.1000114N189N189-F191 PolarHBondContact O-N 2.8Å
192I30.3Very low38.9Very low86 Ų86111.9 Ų111.944%0.44163%0.626SS.*SBendtrans-114.6115.1178.8-57.1177.3000107.4N189 V196N189-I192 HydrophobicContact CB-CD1 4.32Å; N189-I192 HydrophobicContact CB-CG1 4.47Å; N189-I192 PolarHBondContact O-N 3.35Å; I192-V196 HydrophobicContact CG2-CB 4.27Å
193S30.1Very low41.3Very low60 Ų60108.1 Ų108.142%0.4260%0.602SS.*  trans-53.2135.6173.1176.60000110.1S195 V196S193-S195 PolarHBondContact O-N 2.9Å; S193-S195 PolarHBondContact OG-N 3.15Å; S193-S195 PolarHBondContact OG-OG 3.37Å; S193-V196 PolarHBondContact O-N 3.02Å
194P33Very low44.3Very low109 Ų109102.2 Ų102.271%0.70858%0.583SS**G310 helixtrans-52.6-26173.2-25.233.2000113.4V196 S197P194-V196 PolarHBondContact O-N 3.5Å; P194-S197 PolarHBondContact O-N 3.42Å
195S36.6Very low47.3Very low93 Ų9397.2 Ų97.265%0.6555%0.549SS*.G310 helixtrans-68.1-13.517761.90000114.8S193S193-S195 PolarHBondContact O-N 2.9Å; S193-S195 PolarHBondContact OG-N 3.15Å; S193-S195 PolarHBondContact OG-OG 3.37Å
196V37.4Very low50.5Low80 Ų8093.4 Ų93.449%0.48552%0.517SS..G310 helixtrans-101.6-10-179.9-173.50000112.2I192 S193 P194 T198I192-V196 HydrophobicContact CG2-CB 4.27Å; S193-V196 PolarHBondContact O-N 3.02Å; P194-V196 PolarHBondContact O-N 3.5Å; V196-T198 VanDerWaalsContact C-N 3.25Å; V196-T198 PolarHBondContact O-N 2.8Å; V196-T198 VanDerWaalsContact O-N 3.14Å
197S38.7Very low53.6Low91 Ų9190.2 Ų90.264%0.63650%0.501SS*.THydrogen-bonded Turntrans-89.242.1-179.6-172.60000113.3P194 H199P194-S197 PolarHBondContact O-N 3.42Å; S197-H199 VanDerWaalsContact C-N 3.27Å
198T43.3Very low56.6Low116 Ų11682.4 Ų82.471%0.71246%0.464SS*.THydrogen-bonded Turntrans-82.8-1.3168.247.10000113V196 L200V196-T198 VanDerWaalsContact C-N 3.25Å; V196-T198 PolarHBondContact O-N 2.8Å; V196-T198 VanDerWaalsContact O-N 3.14Å; T198-L200 PolarHBondContact O-N 3.48Å
199H51.9Low59.7Low108 Ų10879.8 Ų79.850%0.544%0.443SS..  trans-70.191.3176.3-63.1-60.9000111.2S197 I201S197-H199 VanDerWaalsContact C-N 3.27Å; H199-I201 PolarHBondContact O-N 2.94Å
200L51.6Low62.9Low117 Ų11775.8 Ų75.861%0.61342%0.421SS*.  trans-45.3126.9165.5-72.2168.8000109.6T198 V203 R318T198-L200 PolarHBondContact O-N 3.48Å; L200-V203 HydrophobicContact CB-CG2 3.29Å; L200-V203 HydrophobicContact CD1-CG2 4.17Å; L200-V203 HydrophobicContact CG-CG2 4.38Å; L200-R318 PolarHBondContact O-NH2 3.17Å
201I58.8Low65.7Low155 Ų15570 Ų7080%0.79538%0.384SS*.SBendtrans-76.2-40.1-171.5-62173.9000110.8H199 V203H199-I201 PolarHBondContact O-N 2.94Å; I201-V203 PolarHBondContact O-N 3.19Å
202K71.2Confident68.5Low203 Ų20361.4 Ų61.488%0.88335%0.347SS*.SBendtrans-101.765.4-177.6-65.8-172.1176.2-171.60111.2
203V83.8Confident71.5Confident23 Ų2357.8 Ų57.814%0.13933%0.329CS..  trans-106.7134.7173.1-179.30000108.9L200 I201 N205 M316 R318L200-V203 HydrophobicContact CB-CG2 3.29Å; L200-V203 HydrophobicContact CD1-CG2 4.17Å; L200-V203 HydrophobicContact CG-CG2 4.38Å; I201-V203 PolarHBondContact O-N 3.19Å; V203-N205 PolarHBondContact O-ND2 3.26Å; V203-N205 VanDerWaalsContact O-ND2 3.09Å; V203-M316 WeakPolarHBondContact CG1-O 3.06Å; V203-R318 HydrophobicContact CG1-CB 4.29Å
204P92.7Very high74.4Confident35 Ų3555.1 Ų55.123%0.22731%0.311CS..  trans-53142.1171.1-27.135.8000112.3L284 H290 F317 R318P204-L284 HydrophobicContact CB-CB 3.89Å; P204-L284 HydrophobicContact CB-CD1 3.84Å; P204-L284 HydrophobicContact CB-CD2 4.03Å; P204-L284 HydrophobicContact CB-CG 4.11Å; P204-L284 HydrophobicContact CG-CB 4.28Å; P204-H290 WeakPolarHBondContact CA-O 3.44Å; P204-F317 HydrophobicContact CB-CD1 3.9Å; P204-F317 HydrophobicContact CB-CE1 4.26Å; P204-F317 HydrophobicContact CG-CD1 4.15Å; P204-F317 HydrophobicContact CG-CE1 4.25Å; P204-R318 PolarHBondContact O-N 2.68Å
205N95.6Very high77.3Confident7 Ų750.6 Ų50.64%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-104.2138.3179.5-67.9-109.1000110.6V203 H290 V291 A292 R318 V402V203-N205 PolarHBondContact O-ND2 3.26Å; V203-N205 VanDerWaalsContact O-ND2 3.09Å; N205-H290 PolarHBondContact N-O 3.12Å; N205-V291 HydrophobicContact CB-CG1 4.34Å; N205-V291 HydrophobicContact CB-CG2 4.21Å; N205-V291 CarbonylContact O-C 3.48Å; N205-V291 VanDerWaalsContact O-CA 3.26Å; N205-V291 WeakPolarHBondContact O-CA 3.35Å; N205-A292 PolarHBondContact O-N 2.76Å; N205-R318 CarbonylContact C-O 3.58Å; N205-R318 VanDerWaalsContact CA-O 3.27Å; N205-R318 WeakPolarHBondContact CA-O 3.49Å; N205-R318 WeakPolarHBondContact OD1-CD 3.34Å; N205-R318 WeakPolarHBondContact OD1-CG 3.14Å; N205-V402 HydrophobicContact CB-CG1 4.25Å
206V98.3Very high79.8Confident0 Ų047.2 Ų47.20%026%0.259CS..EExtended strand (participates in β ladder)trans-114.5120.7169.4-172.10000108.7V208 V280 L284 A292 L311 F317 R318 L319 L320V206-V208 HydrophobicContact CG1-CG2 4.25Å; V206-V280 HydrophobicContact CG1-CG1 4.27Å; V206-V280 HydrophobicContact CG2-CG1 4.13Å; V206-L284 HydrophobicContact CG2-CD1 3.5Å; V206-A292 CarbonylContact C-O 3.51Å; V206-A292 WeakPolarHBondContact CA-O 3.49Å; V206-L311 HydrophobicContact CB-CD1 4.13Å; V206-L311 HydrophobicContact CG1-CD1 3.63Å; V206-L311 HydrophobicContact CG1-CD2 4.37Å; V206-L311 HydrophobicContact CG2-CD1 4.5Å; V206-L311 HydrophobicContact CG2-CD2 4.21Å; V206-F317 HydrophobicContact CG2-CB 3.94Å; V206-F317 HydrophobicContact CG2-CD2 3.84Å; V206-F317 HydrophobicContact CG2-CG 4.15Å; V206-R318 PolarHBondContact N-O 2.94Å; V206-L319 HydrophobicContact CB-CD1 4.39Å; V206-L319 WeakPolarHBondContact O-CA 3.34Å; V206-L320 PolarHBondContact O-N 3.28Å
207I98.5Very high82.5Confident0 Ų044.1 Ų44.10%024%0.239CC..EExtended strand (participates in β ladder)trans-100.4114.2176.8-53.1176.3000108M209 L224 L228 V291 A292 I293 F294 L320 V322 I406I207-M209 HydrophobicContact CG2-SD 4.25Å; I207-L224 HydrophobicContact CD1-CD2 3.64Å; I207-L228 HydrophobicContact CD1-CD1 4.4Å; I207-V291 HydrophobicContact CD1-CG1 3.65Å; I207-V291 HydrophobicContact CG1-CG1 3.9Å; I207-A292 PolarHBondContact N-O 3.4Å; I207-I293 HydrophobicContact CB-CB 4.49Å; I207-I293 HydrophobicContact CB-CG1 4.23Å; I207-I293 HydrophobicContact CB-CG2 4.29Å; I207-I293 HydrophobicContact CD1-CD1 4.24Å; I207-I293 HydrophobicContact CD1-CG1 4.08Å; I207-I293 HydrophobicContact CG2-CG2 4.4Å; I207-I293 CarbonylContact O-C 3.54Å; I207-I293 WeakPolarHBondContact O-CA 3.33Å; I207-F294 PolarHBondContact O-N 3.33Å; I207-L320 CarbonylContact C-O 3.59Å; I207-L320 VanDerWaalsContact CA-O 3.29Å; I207-L320 WeakPolarHBondContact CA-O 3.16Å; I207-V322 HydrophobicContact CG2-CB 4.33Å; I207-V322 HydrophobicContact CG2-CG2 3.67Å; I207-I406 HydrophobicContact CD1-CD1 3.33Å; I207-I406 HydrophobicContact CD1-CG1 4.1Å; I207-I406 HydrophobicContact CG1-CD1 4.01Å
208V98.7Very high85.1Confident0 Ų040.9 Ų40.90%022%0.216CC..EExtended strand (participates in β ladder)trans-100.4116.6178.4176.20000109.3V206 F294 N298 L307 L311 L319 L320 F321 V322V206-V208 HydrophobicContact CG1-CG2 4.25Å; V208-F294 HydrophobicContact CG1-CD1 4.44Å; V208-F294 HydrophobicContact CG2-CB 4.19Å; V208-N298 HydrophobicContact CG1-CB 4.07Å; V208-N298 WeakPolarHBondContact CG1-ND2 3.36Å; V208-L307 HydrophobicContact CG1-CD1 3.75Å; V208-L307 HydrophobicContact CG2-CD1 4.39Å; V208-L311 HydrophobicContact CG2-CD1 4.18Å; V208-L319 HydrophobicContact CB-CD1 4.36Å; V208-L319 HydrophobicContact CG2-CD1 3.53Å; V208-L320 PolarHBondContact N-O 3.11Å; V208-F321 HydrophobicContact CB-CD1 3.6Å; V208-F321 HydrophobicContact CB-CE1 3.79Å; V208-F321 HydrophobicContact CB-CG 4.47Å; V208-F321 HydrophobicContact CG1-CD1 3.65Å; V208-F321 HydrophobicContact CG1-CE1 3.68Å; V208-F321 HydrophobicContact CG2-CE1 4.29Å; V208-F321 CarbonylContact O-C 3.58Å; V208-F321 WeakPolarHBondContact O-CA 3.44Å; V208-V322 PolarHBondContact O-N 2.8Å
209M98.6Very high87.3Confident0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-73.8140.2176.1-56.3-54.8-59.800110.5I207 K217 I220 A221 I293 F294 D295 A296 N298 V322I207-M209 HydrophobicContact CG2-SD 4.25Å; M209-K217 HydrophobicContact CB-CB 4.35Å; M209-K217 HydrophobicContact CB-CD 4.26Å; M209-K217 HydrophobicContact CE-CB 4.31Å; M209-I220 HydrophobicContact CE-CB 4.12Å; M209-I220 HydrophobicContact CE-CG2 3.88Å; M209-A221 HydrophobicContact CG-CB 4.14Å; M209-A221 HydrophobicContact SD-CB 4.2Å; M209-I293 HydrophobicContact CG-CG2 3.97Å; M209-I293 HydrophobicContact SD-CG2 3.99Å; M209-F294 PolarHBondContact N-O 3.32Å; M209-D295 HydrophobicContact CG-CB 4.2Å; M209-A296 VanDerWaalsContact O-O 3.1Å; M209-N298 WeakPolarHBondContact O-CB 3.47Å; M209-N298 PolarHBondContact O-ND2 3.34Å; M209-V322 CarbonylContact C-O 3.54Å; M209-V322 WeakPolarHBondContact CA-O 3.45Å; M209-V322 HydrophobicContact CE-CB 4.1Å; M209-V322 HydrophobicContact CE-CG1 3.91Å; M209-V322 HydrophobicContact SD-CB 4.07Å; M209-V322 HydrophobicContact SD-CG1 4.45Å
210V98.3Very high89.3Confident0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-131.4145.5179.7-176.20000110.3K217 T297 N298 F321 V322 E323 S324 L373V210-K217 VanDerWaalsContact C-CD 3.45Å; V210-K217 VanDerWaalsContact O-CD 3.29Å; V210-K217 WeakPolarHBondContact O-CD 3.35Å; V210-T297 WeakPolarHBondContact CA-O 3.42Å; V210-N298 HydrophobicContact CG2-CB 4.21Å; V210-F321 HydrophobicContact CG2-CB 4.21Å; V210-F321 HydrophobicContact CG2-CD1 3.76Å; V210-F321 HydrophobicContact CG2-CG 4.44Å; V210-V322 PolarHBondContact N-O 2.78Å; V210-E323 HydrophobicContact CB-CB 3.91Å; V210-E323 HydrophobicContact CB-CG 4.03Å; V210-E323 HydrophobicContact CG1-CB 4.29Å; V210-E323 HydrophobicContact CG1-CG 3.95Å; V210-E323 VanDerWaalsContact O-CA 3.3Å; V210-E323 WeakPolarHBondContact O-CA 3.38Å; V210-S324 PolarHBondContact O-N 2.67Å; V210-L373 HydrophobicContact CG2-CD1 4.34Å
211G96.6Very high91.5Very high0 Ų027.4 Ų27.40%014%0.14CC..SBendtrans130.1168.5171.300000113.9K217 T297G211-K217 WeakPolarHBondContact O-CD 3.48Å; G211-K217 VanDerWaalsContact O-CE 3.27Å; G211-K217 WeakPolarHBondContact O-CE 3.49Å; G211-K217 PolarHBondContact O-NZ 3.24Å; G211-T297 PolarHBondContact N-O 3.37Å; G211-T297 WeakPolarHBondContact O-CA 3.36Å
212L95.6Very high93.1Very high6 Ų624.7 Ų24.73%0.03112%0.123CC..  trans-65.2159.2-176.2-66.6176.7000113.2R215 K217 Y370L212-R215 HydrophobicContact CB-CG 3.94Å; L212-R215 WeakPolarHBondContact O-CB 3.34Å; L212-R215 WeakPolarHBondContact O-CG 3.23Å; L212-K217 VanDerWaalsContact C-NZ 3.34Å; L212-K217 PolarHBondContact O-NZ 2.95Å; L212-Y370 HydrophobicContact CD1-CD1 3.9Å; L212-Y370 HydrophobicContact CD1-CE1 4.23Å; L212-Y370 HydrophobicContact CD2-CD1 3.95Å; L212-Y370 HydrophobicContact CD2-CD2 4.43Å; L212-Y370 HydrophobicContact CD2-CG 3.83Å; L212-Y370 HydrophobicContact CG-CD1 3.72Å; L212-Y370 HydrophobicContact CG-CE1 3.96Å; L212-Y370 HydrophobicContact CG-CG 4.07Å
213P93.2Very high94.2Very high10 Ų1015.5 Ų15.57%0.0658%0.083CC..THydrogen-bonded Turntrans-57.4156.4171.9-20.331.4000112.9R215 T297 F359 I363 Y366P213-R215 PolarHBondContact O-N 3.21Å; P213-R215 VanDerWaalsContact O-N 3.16Å; P213-R215 PolarHBondContact O-NH1 3.17Å; P213-T297 HydrophobicContact CG-CG2 4.07Å; P213-F359 HydrophobicContact CB-CE1 4.02Å; P213-F359 HydrophobicContact CB-CZ 3.71Å; P213-I363 HydrophobicContact CB-CG1 3.89Å; P213-I363 HydrophobicContact CG-CG1 4.24Å; P213-Y366 HydrophobicContact CG-CD2 3.59Å; P213-Y366 HydrophobicContact CG-CE2 4.09Å; P213-Y366 HydrophobicContact CG-CG 4.26Å
214A91.1Very high94.8Very high5 Ų514.4 Ų14.44%0.0418%0.076CC..THydrogen-bonded Turntrans57.320.2-175.100000116.3N335 I336 K340 F359 I363A214-N335 HydrophobicContact CB-CB 4.29Å; A214-N335 PolarHBondContact O-ND2 3.31Å; A214-I336 HydrophobicContact CB-CD1 4.35Å; A214-I336 HydrophobicContact CB-CG1 3.62Å; A214-K340 HydrophobicContact CB-CG 4.42Å; A214-F359 HydrophobicContact CB-CE1 3.8Å; A214-F359 HydrophobicContact CB-CZ 4.49Å; A214-I363 HydrophobicContact CB-CD1 4.39Å
215R92.9Very high95Very high14 Ų1413.6 Ų13.65%0.0537%0.071CC..SBendtrans-97.823.7174.6-54.7-52.5-172-103.619.5114.5L212 P213 K217 S324 C326 V332L212-R215 HydrophobicContact CB-CG 3.94Å; L212-R215 WeakPolarHBondContact O-CB 3.34Å; L212-R215 WeakPolarHBondContact O-CG 3.23Å; P213-R215 PolarHBondContact O-N 3.21Å; P213-R215 VanDerWaalsContact O-N 3.16Å; P213-R215 PolarHBondContact O-NH1 3.17Å; R215-K217 VanDerWaalsContact C-N 3.31Å; R215-K217 PolarHBondContact O-N 2.9Å; R215-S324 WeakPolarHBondContact O-CB 3.44Å; R215-S324 PolarHBondContact O-OG 2.52Å; R215-C326 WeakPolarHBondContact CD-O 3.34Å; R215-C326 PolarHBondContact NE-O 3.14Å; R215-V332 VanDerWaalsContact NH1-CG1 3.33Å
216G89.8Confident95Very high22 Ų2214.4 Ų14.423%0.2277%0.074CC..SBendtrans74.33.2176.200000117.4T218 Y219 I220G216-T218 PolarHBondContact O-N 2.92Å; G216-Y219 WeakPolarHBondContact O-CB 3.48Å; G216-Y219 PolarHBondContact O-N 3.34Å; G216-I220 WeakPolarHBondContact O-CG1 3.39Å; G216-I220 PolarHBondContact O-N 3.09Å
217K94.1Very high94.9Very high15 Ų1514.4 Ų14.47%0.0657%0.074CC..Hα-helixtrans-50.3-55-179.5-63.2-171.8-54.8-71.80114.2M209 V210 G211 L212 R215 Y219 I220 A221 A296M209-K217 HydrophobicContact CB-CB 4.35Å; M209-K217 HydrophobicContact CB-CD 4.26Å; M209-K217 HydrophobicContact CE-CB 4.31Å; V210-K217 VanDerWaalsContact C-CD 3.45Å; V210-K217 VanDerWaalsContact O-CD 3.29Å; V210-K217 WeakPolarHBondContact O-CD 3.35Å; G211-K217 WeakPolarHBondContact O-CD 3.48Å; G211-K217 VanDerWaalsContact O-CE 3.27Å; G211-K217 WeakPolarHBondContact O-CE 3.49Å; G211-K217 PolarHBondContact O-NZ 3.24Å; L212-K217 VanDerWaalsContact C-NZ 3.34Å; L212-K217 PolarHBondContact O-NZ 2.95Å; R215-K217 VanDerWaalsContact C-N 3.31Å; R215-K217 PolarHBondContact O-N 2.9Å; K217-Y219 PolarHBondContact O-N 2.87Å; K217-I220 PolarHBondContact O-N 3.22Å; K217-A221 WeakPolarHBondContact O-CB 3.36Å; K217-A221 PolarHBondContact O-N 3.37Å; K217-A296 WeakPolarHBondContact CD-O 3.43Å; K217-A296 WeakPolarHBondContact CE-O 3.42Å
218T92.2Very high94.8Very high23 Ų2314.4 Ų14.414%0.1417%0.074CC..Hα-helixtrans-62-34179.8-530000112.3G216 K222 D295G216-T218 PolarHBondContact O-N 2.92Å; T218-K222 HydrophobicContact CG2-CD 4.39Å; T218-K222 WeakPolarHBondContact O-CB 3.42Å; T218-K222 WeakPolarHBondContact O-CG 3.35Å; T218-K222 PolarHBondContact O-N 3Å; T218-D295 VanDerWaalsContact CA-OD2 3.3Å; T218-D295 WeakPolarHBondContact CA-OD2 3.37Å; T218-D295 VanDerWaalsContact CB-OD2 3.26Å; T218-D295 WeakPolarHBondContact CB-OD2 3.35Å; T218-D295 WeakPolarHBondContact CG2-OD2 3.49Å; T218-D295 PolarHBondContact OG1-OD2 2.81Å
219Y90.4Very high94.7Very high46 Ų4617.1 Ų17.118%0.189%0.088CC..Hα-helixtrans-66.2-49175.5174.5-94.9000111G216 K217 A221 K222 K223 H414 I415G216-Y219 WeakPolarHBondContact O-CB 3.48Å; G216-Y219 PolarHBondContact O-N 3.34Å; K217-Y219 PolarHBondContact O-N 2.87Å; Y219-A221 PolarHBondContact O-N 3.26Å; Y219-K222 PolarHBondContact O-N 2.82Å; Y219-K223 HydrophobicContact CD1-CD 4.46Å; Y219-K223 HydrophobicContact CE1-CD 3.71Å; Y219-K223 HydrophobicContact CE1-CG 4.37Å; Y219-K223 HydrophobicContact CE2-CD 4.43Å; Y219-K223 PolarHBondContact O-N 2.98Å; Y219-K223 WeakPolarHBondContact OH-CE 3.4Å; Y219-K223 PolarHBondContact OH-NZ 3.48Å; Y219-H414 PolarHBondContact OH-O 3.5Å; Y219-I415 HydrophobicContact CD1-CG2 4.5Å; Y219-I415 HydrophobicContact CE1-CG2 3.97Å
220I94.1Very high94.6Very high12 Ų1217.9 Ų17.96%0.0629%0.091CC..Hα-helixtrans-58.4-48.3175.6-67.5162.1000110.4M209 G216 K217 K222 K223 L224 I386 L410 I413M209-I220 HydrophobicContact CE-CB 4.12Å; M209-I220 HydrophobicContact CE-CG2 3.88Å; G216-I220 WeakPolarHBondContact O-CG1 3.39Å; G216-I220 PolarHBondContact O-N 3.09Å; K217-I220 PolarHBondContact O-N 3.22Å; I220-K222 PolarHBondContact O-N 3.44Å; I220-K223 PolarHBondContact O-N 3.05Å; I220-L224 VanDerWaalsContact O-CB 3.23Å; I220-L224 WeakPolarHBondContact O-CB 3.5Å; I220-L224 PolarHBondContact O-N 2.86Å; I220-I386 HydrophobicContact CD1-CD1 4.11Å; I220-L410 HydrophobicContact CG2-CD2 3.4Å; I220-I413 HydrophobicContact CG1-CD1 4.13Å; I220-I413 HydrophobicContact CG2-CD1 4.49Å
221A96Very high94.4Very high0 Ų019.3 Ų19.30%010%0.1CC..Hα-helixtrans-57.8-47.5179.200000112.1M209 K217 Y219 L224 C225 V237 I293 D295M209-A221 HydrophobicContact CG-CB 4.14Å; M209-A221 HydrophobicContact SD-CB 4.2Å; K217-A221 WeakPolarHBondContact O-CB 3.36Å; K217-A221 PolarHBondContact O-N 3.37Å; Y219-A221 PolarHBondContact O-N 3.26Å; A221-L224 PolarHBondContact O-N 3Å; A221-C225 VanDerWaalsContact O-CB 3.25Å; A221-C225 WeakPolarHBondContact O-CB 3.34Å; A221-C225 PolarHBondContact O-N 3.43Å; A221-V237 HydrophobicContact CB-CG1 4.33Å; A221-V237 HydrophobicContact CB-CG2 4.43Å; A221-I293 HydrophobicContact CB-CG2 3.82Å; A221-I293 WeakPolarHBondContact O-CD1 3.48Å; A221-D295 HydrophobicContact CB-CB 4.39Å
222K94.3Very high94.2Very high98 Ų9821.7 Ų21.743%0.42613%0.125SC..Hα-helixtrans-66.1-45.1178.6-74.2-173.9175.3-1660112.3T218 Y219 I220 L224 C225 R226 Y599T218-K222 HydrophobicContact CG2-CD 4.39Å; T218-K222 WeakPolarHBondContact O-CB 3.42Å; T218-K222 WeakPolarHBondContact O-CG 3.35Å; T218-K222 PolarHBondContact O-N 3Å; Y219-K222 PolarHBondContact O-N 2.82Å; I220-K222 PolarHBondContact O-N 3.44Å; K222-L224 VanDerWaalsContact C-N 3.35Å; K222-L224 PolarHBondContact O-N 3.28Å; K222-C225 PolarHBondContact O-N 3.22Å; K222-R226 WeakPolarHBondContact O-CB 3.41Å; K222-R226 PolarHBondContact O-N 3.23Å; K222-Y599 HydrophobicContact CD-CD1 4.27Å
223K94Very high94.1Very high10 Ų1022.5 Ų22.54%0.04313%0.129CC..Hα-helixtrans-60.2-45175.6-87.9-160163.9-175.30111.9Y219 I220 R226 Y227 F409 I413 H414 E552Y219-K223 HydrophobicContact CD1-CD 4.46Å; Y219-K223 HydrophobicContact CE1-CD 3.71Å; Y219-K223 HydrophobicContact CE1-CG 4.37Å; Y219-K223 HydrophobicContact CE2-CD 4.43Å; Y219-K223 PolarHBondContact O-N 2.98Å; Y219-K223 WeakPolarHBondContact OH-CE 3.4Å; Y219-K223 PolarHBondContact OH-NZ 3.48Å; I220-K223 PolarHBondContact O-N 3.05Å; K223-R226 PolarHBondContact O-N 2.73Å; K223-Y227 PolarHBondContact O-N 3.21Å; K223-F409 HydrophobicContact CB-CE1 4.07Å; K223-F409 HydrophobicContact CB-CZ 4.1Å; K223-I413 HydrophobicContact CD-CG2 4.24Å; K223-H414 PolarHBondContact NZ-O 3.15Å; K223-E552 IonicContact NZ-OE1 2.72Å; K223-E552 IonicContact NZ-OE2 3.82Å; K223-E552 PolarHBondContact NZ-OE2 3.29Å
224L96.4Very high94.2Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-64.7-44179.4-178.962.1000111.5I207 I220 A221 K222 R226 Y227 L228 I293 I406 F409I207-L224 HydrophobicContact CD1-CD2 3.64Å; I220-L224 VanDerWaalsContact O-CB 3.23Å; I220-L224 WeakPolarHBondContact O-CB 3.5Å; I220-L224 PolarHBondContact O-N 2.86Å; A221-L224 PolarHBondContact O-N 3Å; K222-L224 VanDerWaalsContact C-N 3.35Å; K222-L224 PolarHBondContact O-N 3.28Å; L224-R226 PolarHBondContact O-N 3.47Å; L224-Y227 HydrophobicContact CD1-CD1 4.27Å; L224-Y227 PolarHBondContact O-N 2.9Å; L224-L228 HydrophobicContact CD1-CD1 4.12Å; L224-L228 HydrophobicContact CD1-CG 4.12Å; L224-L228 HydrophobicContact CG-CD1 4Å; L224-L228 HydrophobicContact CG-CG 4.4Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 VanDerWaalsContact O-CG 3.32Å; L224-L228 WeakPolarHBondContact O-CG 3.44Å; L224-L228 PolarHBondContact O-N 3.19Å; L224-I293 HydrophobicContact CB-CD1 4.29Å; L224-I293 HydrophobicContact CD2-CD1 4.16Å; L224-I293 HydrophobicContact CG-CD1 4.21Å; L224-I406 HydrophobicContact CD1-CB 4.35Å; L224-I406 HydrophobicContact CD1-CG1 4Å; L224-I406 HydrophobicContact CD1-CG2 4.13Å; L224-I406 HydrophobicContact CD2-CG1 4.24Å; L224-I406 HydrophobicContact CD2-CG2 3.77Å; L224-F409 HydrophobicContact CB-CD1 4.31Å; L224-F409 HydrophobicContact CB-CE1 4.21Å; L224-F409 HydrophobicContact CD1-CB 4.39Å; L224-F409 HydrophobicContact CD1-CD1 3.57Å; L224-F409 HydrophobicContact CD1-CE1 4.26Å; L224-F409 HydrophobicContact CD1-CG 4.27Å
225C96.9Very high94.5Very high18 Ų1825 Ų2512%0.12214%0.143CC..Hα-helixtrans-56.8-48.4174.5-176.60000111.8A221 K222 L228 N229 T235 V237 I293A221-C225 VanDerWaalsContact O-CB 3.25Å; A221-C225 WeakPolarHBondContact O-CB 3.34Å; A221-C225 PolarHBondContact O-N 3.43Å; K222-C225 PolarHBondContact O-N 3.22Å; C225-L228 PolarHBondContact O-N 3.19Å; C225-N229 WeakPolarHBondContact O-CB 3.34Å; C225-N229 PolarHBondContact O-N 3.29Å; C225-N229 PolarHBondContact O-ND2 3.15Å; C225-N229 PolarHBondContact SG-ND2 3.25Å; C225-N229 VanDerWaalsContact SG-ND2 3.38Å; C225-T235 HydrophobicContact CB-CG2 4.16Å; C225-T235 PolarHBondContact SG-O 2.76Å; C225-V237 HydrophobicContact CB-CG2 3.6Å; C225-I293 HydrophobicContact CB-CD1 4.03Å
226R95.6Very high94.7Very high23 Ų2329.4 Ų29.49%0.08716%0.163CC..Hα-helixtrans-59.1-48.3177178.2173.878.7-176.8-0.5112.1K222 K223 L224 N229 W230 E552 Y572 F573 D575K222-R226 WeakPolarHBondContact O-CB 3.41Å; K222-R226 PolarHBondContact O-N 3.23Å; K223-R226 PolarHBondContact O-N 2.73Å; L224-R226 PolarHBondContact O-N 3.47Å; R226-N229 PolarHBondContact O-N 3.2Å; R226-W230 VanDerWaalsContact O-CB 3.24Å; R226-W230 WeakPolarHBondContact O-CB 3.32Å; R226-W230 PolarHBondContact O-N 2.94Å; R226-E552 IonicContact NH2-OE1 3.64Å; R226-E552 PolarHBondContact NH2-OE1 2.87Å; R226-Y572 WeakPolarHBondContact CD-O 3.37Å; R226-Y572 PolarHBondContact NE-O 3.35Å; R226-F573 PolarHBondContact NH1-O 3.42Å; R226-D575 HydrophobicContact CG-CB 4.24Å; R226-D575 WeakPolarHBondContact CG-OD1 3.39Å
227Y96.2Very high95.1Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-59.7-49.5176.9164.1-107000112.2K223 L224 N229 W230 T231 R405 F409 E545 M549 Y572K223-Y227 PolarHBondContact O-N 3.21Å; L224-Y227 HydrophobicContact CD1-CD1 4.27Å; L224-Y227 PolarHBondContact O-N 2.9Å; Y227-N229 PolarHBondContact O-N 3.33Å; Y227-W230 PolarHBondContact O-N 3.33Å; Y227-T231 HydrophobicContact CD2-CG2 3.88Å; Y227-T231 HydrophobicContact CE2-CG2 3.45Å; Y227-T231 VanDerWaalsContact CE2-CG2 3.45Å; Y227-T231 VanDerWaalsContact O-CG2 3.32Å; Y227-T231 WeakPolarHBondContact O-CG2 3.3Å; Y227-T231 PolarHBondContact O-N 2.87Å; Y227-T231 PolarHBondContact O-OG1 3.37Å; Y227-R405 PolarHBondContact OH-NE 2.87Å; Y227-R405 PolarHBondContact OH-NH2 3.09Å; Y227-R405 VanDerWaalsContact OH-NH2 3.14Å; Y227-F409 VanDerWaalsContact CB-CE2 3.43Å; Y227-F409 HydrophobicContact CD1-CB 3.66Å; Y227-F409 HydrophobicContact CD1-CD1 4.06Å; Y227-F409 AromaticContact CD1-CD2 3.55Å; Y227-F409 HydrophobicContact CD1-CD2 3.55Å; Y227-F409 HydrophobicContact CD1-CE2 4.2Å; Y227-F409 AromaticContact CD1-CG 3.46Å; Y227-F409 HydrophobicContact CD1-CG 3.46Å; Y227-F409 VanDerWaalsContact CD1-CG 3.46Å; Y227-F409 AromaticContact CD2-CD2 3.61Å; Y227-F409 HydrophobicContact CD2-CD2 3.61Å; Y227-F409 AromaticContact CD2-CE2 3.9Å; Y227-F409 HydrophobicContact CD2-CE2 3.9Å; Y227-F409 HydrophobicContact CD2-CG 4.38Å; Y227-F409 HydrophobicContact CE1-CB 3.56Å; Y227-F409 HydrophobicContact CE1-CD2 4.03Å; Y227-F409 AromaticContact CE1-CG 3.89Å; Y227-F409 HydrophobicContact CE1-CG 3.89Å; Y227-F409 HydrophobicContact CE2-CD2 4.09Å; Y227-F409 HydrophobicContact CG-CB 4.33Å; Y227-F409 HydrophobicContact CG-CD1 4.33Å; Y227-F409 AromaticContact CG-CD2 3.31Å; Y227-F409 HydrophobicContact CG-CD2 3.31Å; Y227-F409 AromaticContact CG-CE2 3.57Å; Y227-F409 HydrophobicContact CG-CE2 3.57Å; Y227-F409 AromaticContact CG-CG 3.73Å; Y227-F409 HydrophobicContact CG-CG 3.73Å; Y227-F409 HydrophobicContact CG-CZ 4.16Å; Y227-E545 HydrophobicContact CE2-CG 4.48Å; Y227-E545 WeakPolarHBondContact CE2-OE1 3.01Å; Y227-E545 PolarHBondContact OH-OE1 3.48Å; Y227-M549 HydrophobicContact CD2-CE 3.61Å; Y227-M549 HydrophobicContact CE2-CE 3.3Å; Y227-M549 HydrophobicContact CE2-SD 4.49Å; Y227-Y572 HydrophobicContact CD2-CE2 4.46Å
228L96.7Very high95.3Very high0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-61-46.8-179.4-70.3175.2000111.2I207 L224 C225 W230 T231 G232 I233 T235 V291 I406I207-L228 HydrophobicContact CD1-CD1 4.4Å; L224-L228 HydrophobicContact CD1-CD1 4.12Å; L224-L228 HydrophobicContact CD1-CG 4.12Å; L224-L228 HydrophobicContact CG-CD1 4Å; L224-L228 HydrophobicContact CG-CG 4.4Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 VanDerWaalsContact O-CG 3.32Å; L224-L228 WeakPolarHBondContact O-CG 3.44Å; L224-L228 PolarHBondContact O-N 3.19Å; C225-L228 PolarHBondContact O-N 3.19Å; L228-W230 PolarHBondContact O-N 3.44Å; L228-T231 CarbonylContact O-C 3.51Å; L228-T231 PolarHBondContact O-N 2.79Å; L228-T231 PolarHBondContact O-OG1 2.78Å; L228-G232 PolarHBondContact O-N 3.29Å; L228-I233 CarbonylContact C-O 3.58Å; L228-I233 HydrophobicContact CB-CB 4.13Å; L228-I233 HydrophobicContact CB-CG2 4.42Å; L228-I233 HydrophobicContact CD2-CB 4.4Å; L228-I233 HydrophobicContact CD2-CD1 3.86Å; L228-I233 WeakPolarHBondContact O-CA 3.23Å; L228-I233 WeakPolarHBondContact O-CB 3.28Å; L228-I233 PolarHBondContact O-N 2.96Å; L228-T235 HydrophobicContact CB-CG2 4.45Å; L228-T235 WeakPolarHBondContact CB-OG1 3.19Å; L228-T235 HydrophobicContact CD1-CG2 4.06Å; L228-V291 HydrophobicContact CD1-CG1 4.18Å; L228-I406 HydrophobicContact CD1-CG1 4.36Å; L228-I406 HydrophobicContact CD2-CG1 4.49Å
229N96.2Very high95.4Very high58 Ų5829.6 Ų29.631%0.3116%0.159SC..Hα-helixtrans-60.2-43.3174.9-78-54.7000112.5C225 R226 Y227 T231 G232 I233 V234 T235C225-N229 WeakPolarHBondContact O-CB 3.34Å; C225-N229 PolarHBondContact O-N 3.29Å; C225-N229 PolarHBondContact O-ND2 3.15Å; C225-N229 PolarHBondContact SG-ND2 3.25Å; C225-N229 VanDerWaalsContact SG-ND2 3.38Å; R226-N229 PolarHBondContact O-N 3.2Å; Y227-N229 PolarHBondContact O-N 3.33Å; N229-T231 PolarHBondContact O-N 3.44Å; N229-G232 PolarHBondContact O-N 3.28Å; N229-I233 PolarHBondContact N-O 2.99Å; N229-V234 WeakPolarHBondContact OD1-CA 3.45Å; N229-T235 PolarHBondContact ND2-O 3.02Å; N229-T235 PolarHBondContact OD1-N 3.04Å; N229-T235 PolarHBondContact OD1-O 2.98Å
230W96.3Very high95.6Very high15 Ų1528.7 Ų28.76%0.05716%0.158CC..Hα-helixtrans-61.2-34.5177.5179.382.6000112.1R226 Y227 L228 G232 V541 V544 E545 I548 C568 Y572R226-W230 VanDerWaalsContact O-CB 3.24Å; R226-W230 WeakPolarHBondContact O-CB 3.32Å; R226-W230 PolarHBondContact O-N 2.94Å; Y227-W230 PolarHBondContact O-N 3.33Å; L228-W230 PolarHBondContact O-N 3.44Å; W230-G232 VanDerWaalsContact C-N 3.26Å; W230-G232 PolarHBondContact O-N 2.87Å; W230-V541 HydrophobicContact CD2-CG1 4.21Å; W230-V541 HydrophobicContact CE3-CG1 4.22Å; W230-V541 HydrophobicContact CH2-CG1 3.9Å; W230-V541 WeakPolarHBondContact CH2-O 3.48Å; W230-V541 HydrophobicContact CZ2-CB 4.4Å; W230-V541 HydrophobicContact CZ2-CG1 3.92Å; W230-V541 HydrophobicContact CZ2-CG2 4.32Å; W230-V541 HydrophobicContact CZ3-CG1 4.07Å; W230-V541 WeakPolarHBondContact O-CG1 3.48Å; W230-V544 HydrophobicContact CH2-CG2 3.8Å; W230-V544 HydrophobicContact CZ2-CG2 3.65Å; W230-E545 HydrophobicContact CH2-CB 4.23Å; W230-E545 HydrophobicContact CZ3-CB 4.01Å; W230-E545 HydrophobicContact CZ3-CG 4.47Å; W230-I548 HydrophobicContact CH2-CB 4.45Å; W230-I548 HydrophobicContact CH2-CG1 3.59Å; W230-I548 HydrophobicContact CZ2-CD1 4.45Å; W230-I548 HydrophobicContact CZ2-CG1 3.82Å; W230-I548 HydrophobicContact CZ3-CG1 4.05Å; W230-C568 PolarHBondContact NE1-O 3.32Å; W230-Y572 HydrophobicContact CB-CD2 4.04Å; W230-Y572 AromaticContact CD2-CD2 3.91Å; W230-Y572 HydrophobicContact CD2-CD2 3.91Å; W230-Y572 HydrophobicContact CD2-CG 4.49Å; W230-Y572 HydrophobicContact CE3-CD2 4.21Å; W230-Y572 AromaticContact CG-CD2 3.81Å; W230-Y572 HydrophobicContact CG-CD2 3.81Å; W230-Y572 HydrophobicContact CG-CG 4.44Å
231T94.1Very high95.5Very high31 Ų3128.7 Ų28.719%0.1916%0.16CC..THydrogen-bonded Turntrans-80.50.717463.70000114.4Y227 L228 N229Y227-T231 HydrophobicContact CD2-CG2 3.88Å; Y227-T231 HydrophobicContact CE2-CG2 3.45Å; Y227-T231 VanDerWaalsContact CE2-CG2 3.45Å; Y227-T231 VanDerWaalsContact O-CG2 3.32Å; Y227-T231 WeakPolarHBondContact O-CG2 3.3Å; Y227-T231 PolarHBondContact O-N 2.87Å; Y227-T231 PolarHBondContact O-OG1 3.37Å; L228-T231 CarbonylContact O-C 3.51Å; L228-T231 PolarHBondContact O-N 2.79Å; L228-T231 PolarHBondContact O-OG1 2.78Å; N229-T231 PolarHBondContact O-N 3.44Å
232G92Very high95.3Very high50 Ų5033 Ų3352%0.51518%0.183SC..THydrogen-bonded Turntrans91.22.7-179.200000115.4L228 N229 W230 V234L228-G232 PolarHBondContact O-N 3.29Å; N229-G232 PolarHBondContact O-N 3.28Å; W230-G232 VanDerWaalsContact C-N 3.26Å; W230-G232 PolarHBondContact O-N 2.87Å; G232-V234 PolarHBondContact O-N 2.89Å
233I93.1Very high95.2Very high23 Ų2329.4 Ų29.412%0.11817%0.167CC..  trans-8994.3174.5-57.7170.6000108.6L228 N229 T235 H290 V291 V402L228-I233 CarbonylContact C-O 3.58Å; L228-I233 HydrophobicContact CB-CB 4.13Å; L228-I233 HydrophobicContact CB-CG2 4.42Å; L228-I233 HydrophobicContact CD2-CB 4.4Å; L228-I233 HydrophobicContact CD2-CD1 3.86Å; L228-I233 WeakPolarHBondContact O-CA 3.23Å; L228-I233 WeakPolarHBondContact O-CB 3.28Å; L228-I233 PolarHBondContact O-N 2.96Å; N229-I233 PolarHBondContact N-O 2.99Å; I233-T235 PolarHBondContact O-N 3Å; I233-T235 PolarHBondContact O-OG1 3.44Å; I233-H290 HydrophobicContact CG2-CB 4.07Å; I233-V291 HydrophobicContact CG2-CG2 3.52Å; I233-V402 HydrophobicContact CD1-CG2 4.47Å
234V94.7Very high95.1Very high61 Ų6129.5 Ų29.537%0.3717%0.167SC..  trans-51.1113.7177.8-1730000111.1N229 G232 H290 V291N229-V234 WeakPolarHBondContact OD1-CA 3.45Å; G232-V234 PolarHBondContact O-N 2.89Å; V234-H290 PolarHBondContact N-ND1 2.97Å; V234-H290 PolarHBondContact O-N 3.38Å; V234-V291 PolarHBondContact O-N 2.87Å; V234-V291 VanDerWaalsContact O-N 3.15Å
235T97.6Very high94.7Very high7 Ų732 Ų324%0.04318%0.176CC..EExtended strand (participates in β ladder)trans-135.9142.8-170.9-57.30000111.4C225 L228 N229 I233 V291 I293C225-T235 HydrophobicContact CB-CG2 4.16Å; C225-T235 PolarHBondContact SG-O 2.76Å; L228-T235 HydrophobicContact CB-CG2 4.45Å; L228-T235 WeakPolarHBondContact CB-OG1 3.19Å; L228-T235 HydrophobicContact CD1-CG2 4.06Å; N229-T235 PolarHBondContact ND2-O 3.02Å; N229-T235 PolarHBondContact OD1-N 3.04Å; N229-T235 PolarHBondContact OD1-O 2.98Å; I233-T235 PolarHBondContact O-N 3Å; I233-T235 PolarHBondContact O-OG1 3.44Å; T235-V291 VanDerWaalsContact CA-O 3.23Å; T235-V291 WeakPolarHBondContact CA-O 3.42Å; T235-V291 HydrophobicContact CG2-CB 3.92Å; T235-V291 HydrophobicContact CG2-CG1 3.99Å; T235-I293 HydrophobicContact CG2-CD1 3.94Å; T235-I293 HydrophobicContact CG2-CG1 3.9Å
236K97.8Very high94.3Very high105 Ų10536.6 Ų36.646%0.45720%0.199SC..EExtended strand (participates in β ladder)trans-135.5142.1175.3-174.1176.1177.2-174.30112.4F238 Y283 V291 I293K236-F238 HydrophobicContact CB-CE2 3.96Å; K236-F238 HydrophobicContact CB-CZ 4.4Å; K236-F238 HydrophobicContact CD-CE1 4.36Å; K236-F238 HydrophobicContact CD-CE2 4.18Å; K236-F238 HydrophobicContact CD-CZ 3.85Å; K236-F238 HydrophobicContact CG-CE2 4.02Å; K236-F238 HydrophobicContact CG-CZ 4.21Å; K236-Y283 HydrophobicContact CB-CE1 3.99Å; K236-Y283 HydrophobicContact CB-CE2 4Å; K236-Y283 HydrophobicContact CD-CD2 4.29Å; K236-Y283 HydrophobicContact CD-CE2 4.2Å; K236-Y283 PolarHBondContact N-OH 3.45Å; K236-V291 PolarHBondContact N-O 2.84Å; K236-V291 VanDerWaalsContact N-O 3.1Å; K236-I293 PolarHBondContact O-N 3.13Å
237V97.9Very high93.7Very high34 Ų3441.1 Ų41.121%0.20622%0.217CC..EExtended strand (participates in β ladder)trans-92.9132.3172.2-175.40000110.6A221 C225 I293 D295A221-V237 HydrophobicContact CB-CG1 4.33Å; A221-V237 HydrophobicContact CB-CG2 4.43Å; C225-V237 HydrophobicContact CB-CG2 3.6Å; V237-I293 CarbonylContact C-O 3.53Å; V237-I293 WeakPolarHBondContact CA-O 2.9Å; V237-I293 HydrophobicContact CG2-CB 4.17Å; V237-I293 HydrophobicContact CG2-CD1 4.28Å; V237-D295 HydrophobicContact CG1-CB 3.91Å
238F98Very high92.8Very high4 Ų443.5 Ų43.52%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-112.495.9173.4-62.2-99.5000108K236 D279 V280 Y283 A292 I293 D295K236-F238 HydrophobicContact CB-CE2 3.96Å; K236-F238 HydrophobicContact CB-CZ 4.4Å; K236-F238 HydrophobicContact CD-CE1 4.36Å; K236-F238 HydrophobicContact CD-CE2 4.18Å; K236-F238 HydrophobicContact CD-CZ 3.85Å; K236-F238 HydrophobicContact CG-CE2 4.02Å; K236-F238 HydrophobicContact CG-CZ 4.21Å; F238-D279 HydrophobicContact CD1-CB 4.15Å; F238-D279 HydrophobicContact CE1-CB 3.9Å; F238-V280 HydrophobicContact CB-CG2 3.98Å; F238-V280 HydrophobicContact CD1-CG2 3.81Å; F238-V280 HydrophobicContact CD2-CG2 3.51Å; F238-V280 HydrophobicContact CE1-CG2 4.14Å; F238-V280 HydrophobicContact CE2-CG2 3.86Å; F238-V280 HydrophobicContact CG-CG2 3.48Å; F238-V280 VanDerWaalsContact CG-CG2 3.48Å; F238-V280 HydrophobicContact CZ-CG2 4.16Å; F238-Y283 AromaticContact CE2-CD1 3.89Å; F238-Y283 HydrophobicContact CE2-CD1 3.89Å; F238-Y283 HydrophobicContact CE2-CE1 4.34Å; F238-Y283 HydrophobicContact CE2-CG 4.26Å; F238-Y283 AromaticContact CZ-CD1 3.81Å; F238-Y283 HydrophobicContact CZ-CD1 3.81Å; F238-Y283 HydrophobicContact CZ-CD2 4.37Å; F238-Y283 AromaticContact CZ-CG 3.71Å; F238-Y283 HydrophobicContact CZ-CG 3.71Å; F238-A292 HydrophobicContact CD2-CB 4.09Å; F238-A292 HydrophobicContact CE2-CB 3.73Å; F238-I293 PolarHBondContact N-O 3.02Å; F238-D295 PolarHBondContact O-N 3.12Å
239N95.4Very high91.5Very high26 Ų2651.5 Ų51.514%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-91.8116-176.2-178.3-71.8000110.6G241 D242 Y243 D295N239-G241 PolarHBondContact O-N 3.15Å; N239-G241 VanDerWaalsContact O-N 3.09Å; N239-G241 WeakPolarHBondContact OD1-CA 3.36Å; N239-G241 PolarHBondContact OD1-N 3Å; N239-D242 WeakPolarHBondContact CB-OD2 3.41Å; N239-D242 WeakPolarHBondContact O-CB 3.43Å; N239-D242 PolarHBondContact O-N 3.44Å; N239-D242 PolarHBondContact OD1-N 3.02Å; N239-Y243 WeakPolarHBondContact O-CD2 3.37Å; N239-D295 HydrophobicContact CB-CB 4.48Å; N239-D295 PolarHBondContact ND2-OD2 2.85Å
240L94.2Very high90.1Very high28 Ų2856.7 Ų56.715%0.14729%0.285CS..Hα-helixtrans-63.5-21.1-177-95.765.4000113.6D242 R244 A273 A276 F294 D295 A296L240-D242 VanDerWaalsContact C-N 3.33Å; L240-R244 WeakPolarHBondContact O-CB 3.39Å; L240-R244 PolarHBondContact O-N 2.98Å; L240-A273 HydrophobicContact CD2-CB 3.87Å; L240-A276 HydrophobicContact CD1-CB 3.68Å; L240-A276 HydrophobicContact CG-CB 4.27Å; L240-F294 HydrophobicContact CD1-CD1 4.23Å; L240-F294 HydrophobicContact CD1-CD2 4.05Å; L240-F294 HydrophobicContact CD1-CE1 3.71Å; L240-F294 HydrophobicContact CD1-CE2 3.53Å; L240-F294 HydrophobicContact CD1-CG 4.4Å; L240-F294 HydrophobicContact CD1-CZ 3.35Å; L240-F294 HydrophobicContact CD2-CE1 4.05Å; L240-F294 HydrophobicContact CD2-CZ 3.89Å; L240-F294 HydrophobicContact CG-CZ 4.2Å; L240-D295 PolarHBondContact N-O 2.82Å; L240-A296 HydrophobicContact CB-CB 4.02Å; L240-A296 HydrophobicContact CD1-CB 4.2Å; L240-A296 HydrophobicContact CD2-CB 3.71Å; L240-A296 HydrophobicContact CG-CB 4.18Å
241G91.3Very high88.6Confident11 Ų1163.1 Ų63.111%0.11332%0.315CS..Hα-helixtrans-65-36.3171.300000112.8N239 R245N239-G241 PolarHBondContact O-N 3.15Å; N239-G241 VanDerWaalsContact O-N 3.09Å; N239-G241 WeakPolarHBondContact OD1-CA 3.36Å; N239-G241 PolarHBondContact OD1-N 3Å; G241-R245 VanDerWaalsContact C-NH2 3.31Å; G241-R245 WeakPolarHBondContact O-CG 3.49Å; G241-R245 PolarHBondContact O-N 3.02Å; G241-R245 PolarHBondContact O-NE 3.24Å; G241-R245 PolarHBondContact O-NH1 3.23Å
242D92.1Very high87.6Confident90 Ų9061.7 Ų61.748%0.48131%0.307SS..Hα-helixtrans-67.1-45177.2-69.4-36.1000111N239 L240 R244 R245 L246N239-D242 WeakPolarHBondContact CB-OD2 3.41Å; N239-D242 WeakPolarHBondContact O-CB 3.43Å; N239-D242 PolarHBondContact O-N 3.44Å; N239-D242 PolarHBondContact OD1-N 3.02Å; L240-D242 VanDerWaalsContact C-N 3.33Å; D242-R244 PolarHBondContact O-N 3.14Å; D242-R245 PolarHBondContact O-N 2.97Å; D242-R245 IonicContact OD1-CZ 3.92Å; D242-R245 IonicContact OD1-NE 3.79Å; D242-R245 IonicContact OD1-NH2 3.91Å; D242-R245 PolarHBondContact OD1-NH2 3.44Å; D242-L246 VanDerWaalsContact O-CB 3.27Å; D242-L246 WeakPolarHBondContact O-CB 3.38Å; D242-L246 PolarHBondContact O-N 2.69Å
243Y93.2Very high86.8Confident24 Ų2460.2 Ų60.29%0.09429%0.288CS..Hα-helixtrans-59-47.6174.6-73.7-97.2000111.4N239 R245 L246 Y247 L275 A276 D279N239-Y243 WeakPolarHBondContact O-CD2 3.37Å; Y243-R245 VanDerWaalsContact C-N 3.34Å; Y243-R245 PolarHBondContact O-N 2.97Å; Y243-L246 PolarHBondContact O-N 3.49Å; Y243-Y247 HydrophobicContact CD1-CD2 4.3Å; Y243-Y247 AromaticContact CD1-CE2 3.83Å; Y243-Y247 HydrophobicContact CD1-CE2 3.83Å; Y243-Y247 HydrophobicContact CE1-CE2 4.44Å; Y243-Y247 VanDerWaalsContact O-CD2 3.29Å; Y243-Y247 WeakPolarHBondContact O-CD2 3.45Å; Y243-Y247 PolarHBondContact O-N 2.99Å; Y243-L275 HydrophobicContact CD1-CB 3.99Å; Y243-L275 HydrophobicContact CE1-CB 4.35Å; Y243-A276 HydrophobicContact CD1-CB 4.11Å; Y243-A276 HydrophobicContact CD2-CB 3.82Å; Y243-A276 HydrophobicContact CE1-CB 4.07Å; Y243-A276 HydrophobicContact CE2-CB 3.78Å; Y243-A276 HydrophobicContact CG-CB 4.01Å; Y243-D279 VanDerWaalsContact CE1-OD2 3.26Å; Y243-D279 WeakPolarHBondContact CE1-OD2 3.47Å; Y243-D279 WeakPolarHBondContact OH-CB 3.36Å; Y243-D279 PolarHBondContact OH-OD2 3Å
244R90.7Very high86.3Confident11 Ų1163.4 Ų63.44%0.04230%0.302CS..Hα-helixtrans-55.5-49177-169.6-167.375.2-117.86.1111.8L240 D242 F248 S252 F257 D345L240-R244 WeakPolarHBondContact O-CB 3.39Å; L240-R244 PolarHBondContact O-N 2.98Å; D242-R244 PolarHBondContact O-N 3.14Å; R244-F248 CarbonylContact O-C 3.53Å; R244-F248 WeakPolarHBondContact O-CA 3.39Å; R244-F248 WeakPolarHBondContact O-CB 3.42Å; R244-F248 PolarHBondContact O-N 2.98Å; R244-F248 VanDerWaalsContact O-O 3.11Å; R244-S252 VanDerWaalsContact CD-O 3.3Å; R244-S252 WeakPolarHBondContact CD-O 3.4Å; R244-S252 PolarHBondContact NE-O 2.88Å; R244-F257 HydrophobicContact CG-CE1 4.06Å; R244-F257 HydrophobicContact CG-CZ 4.06Å; R244-D345 IonicContact CZ-OD1 3.46Å; R244-D345 IonicContact CZ-OD2 3.74Å; R244-D345 IonicContact NH1-OD2 3.67Å; R244-D345 IonicContact NH2-OD1 3.23Å; R244-D345 PolarHBondContact NH2-OD1 3.35Å; R244-D345 IonicContact NH2-OD2 3.38Å; R244-D345 PolarHBondContact NH2-OD2 2.91Å
245R89.3Confident85.4Confident52 Ų5260.7 Ų60.720%0.19629%0.285CS..Hα-helixtrans-68.2-34.1180-72.9-177.6-67.3-90-0113.2G241 D242 Y243 K249 D345G241-R245 VanDerWaalsContact C-NH2 3.31Å; G241-R245 WeakPolarHBondContact O-CG 3.49Å; G241-R245 PolarHBondContact O-N 3.02Å; G241-R245 PolarHBondContact O-NE 3.24Å; G241-R245 PolarHBondContact O-NH1 3.23Å; D242-R245 PolarHBondContact O-N 2.97Å; D242-R245 IonicContact OD1-CZ 3.92Å; D242-R245 IonicContact OD1-NE 3.79Å; D242-R245 IonicContact OD1-NH2 3.91Å; D242-R245 PolarHBondContact OD1-NH2 3.44Å; Y243-R245 VanDerWaalsContact C-N 3.34Å; Y243-R245 PolarHBondContact O-N 2.97Å; R245-K249 WeakPolarHBondContact O-CG 3.45Å; R245-D345 WeakPolarHBondContact CD-OD1 3.14Å; R245-D345 IonicContact CZ-OD1 2.78Å; R245-D345 IonicContact NE-OD1 3.19Å; R245-D345 IonicContact NH1-OD1 3.44Å; R245-D345 PolarHBondContact NH1-OD1 2.85Å; R245-D345 IonicContact NH1-OD2 2.8Å
246L87.4Confident84.7Confident115 Ų11565.9 Ų65.960%0.60231%0.312SS*.Hα-helixtrans-72.2-46.8-178-176.961.8000111.8D242 Y243D242-L246 VanDerWaalsContact O-CB 3.27Å; D242-L246 WeakPolarHBondContact O-CB 3.38Å; D242-L246 PolarHBondContact O-N 2.69Å; Y243-L246 PolarHBondContact O-N 3.49Å
247Y83Confident83.9Confident119 Ų11961.7 Ų61.747%0.46729%0.294SS..Hα-helixtrans-94-23.7-172.9-66.4-77.9000113.6Y243 L275Y243-Y247 HydrophobicContact CD1-CD2 4.3Å; Y243-Y247 AromaticContact CD1-CE2 3.83Å; Y243-Y247 HydrophobicContact CD1-CE2 3.83Å; Y243-Y247 HydrophobicContact CE1-CE2 4.44Å; Y243-Y247 VanDerWaalsContact O-CD2 3.29Å; Y243-Y247 WeakPolarHBondContact O-CD2 3.45Å; Y243-Y247 PolarHBondContact O-N 2.99Å; Y247-L275 HydrophobicContact CD1-CD1 4.18Å; Y247-L275 HydrophobicContact CD2-CD1 3.79Å; Y247-L275 HydrophobicContact CE1-CD1 4.31Å; Y247-L275 HydrophobicContact CE2-CD1 3.96Å; Y247-L275 HydrophobicContact CG-CD1 3.92Å
248F77.7Confident83.3Confident50 Ų5060.2 Ų60.222%0.21929%0.285CS..  trans-134.473.3-173.8-53.7-84.1000110R244 S252 V268 Q271 C272R244-F248 CarbonylContact O-C 3.53Å; R244-F248 WeakPolarHBondContact O-CA 3.39Å; R244-F248 WeakPolarHBondContact O-CB 3.42Å; R244-F248 PolarHBondContact O-N 2.98Å; R244-F248 VanDerWaalsContact O-O 3.11Å; F248-S252 WeakPolarHBondContact O-CB 3.46Å; F248-S252 PolarHBondContact O-OG 2.82Å; F248-V268 HydrophobicContact CB-CG1 4.01Å; F248-V268 HydrophobicContact CD1-CG1 3.48Å; F248-V268 VanDerWaalsContact CD1-CG1 3.48Å; F248-V268 HydrophobicContact CD1-CG2 4.24Å; F248-V268 HydrophobicContact CD2-CG1 3.62Å; F248-V268 HydrophobicContact CE1-CG1 3.76Å; F248-V268 HydrophobicContact CE1-CG2 4.2Å; F248-V268 HydrophobicContact CE2-CG1 3.89Å; F248-V268 HydrophobicContact CG-CG1 3.4Å; F248-V268 HydrophobicContact CZ-CG1 3.96Å; F248-Q271 HydrophobicContact CZ-CB 4.18Å; F248-C272 WeakPolarHBondContact CD2-SG 3.32Å; F248-C272 WeakPolarHBondContact CE2-SG 3.37Å
249K69.8Low82.5Confident167 Ų16762.1 Ų62.173%0.72630%0.295SS*.  trans-66.4-49.9-172.6-73.1-177.3179.5178.70113.6R245R245-K249 WeakPolarHBondContact O-CG 3.45Å
250E67.2Low81.6Confident167 Ų16762.1 Ų62.178%0.7830%0.297SS*.SBendtrans-77.8128.1-171.7-64.9-176.8-178.700110.4S252E250-S252 PolarHBondContact O-N 2.65Å; E250-S252 VanDerWaalsContact O-N 3.08Å
251H64.4Low81.1Confident151 Ų15169.6 Ų69.670%0.69933%0.328SS*.SBendtrans65.82.3172.9-54.670.7000117.5S253H251-S253 VanDerWaalsContact C-N 3.34Å; H251-S253 PolarHBondContact O-N 2.77Å
252S72.8Confident80.7Confident1 Ų172 Ų721%0.00734%0.338CS..  trans-81.8-6.4-178.5780000115.5R244 F248 E250 F257R244-S252 VanDerWaalsContact CD-O 3.3Å; R244-S252 WeakPolarHBondContact CD-O 3.4Å; R244-S252 PolarHBondContact NE-O 2.88Å; F248-S252 WeakPolarHBondContact O-CB 3.46Å; F248-S252 PolarHBondContact O-OG 2.82Å; E250-S252 PolarHBondContact O-N 2.65Å; E250-S252 VanDerWaalsContact O-N 3.08Å; S252-F257 WeakPolarHBondContact O-CD1 3.15Å
253S76.3Confident80.3Confident19 Ų1971.1 Ų71.113%0.13334%0.343CS..SBendtrans-93-23.4-176.2-66.30000114.4H251 D345H251-S253 VanDerWaalsContact C-N 3.34Å; H251-S253 PolarHBondContact O-N 2.77Å; S253-D345 WeakPolarHBondContact CB-O 3.41Å
254F80.7Confident79.8Confident90 Ų9076.1 Ų76.140%0.39537%0.371SS..SBendtrans-81.8159.7-176.2-65.3-78.2000112.8D256 F257 F258 I349F254-D256 VanDerWaalsContact C-N 3.29Å; F254-D256 PolarHBondContact O-N 3.11Å; F254-F257 WeakPolarHBondContact O-CB 3.39Å; F254-F257 PolarHBondContact O-N 2.96Å; F254-F258 VanDerWaalsContact O-CD2 3.29Å; F254-F258 WeakPolarHBondContact O-CD2 3.37Å; F254-F258 WeakPolarHBondContact O-CE2 3.37Å; F254-I349 HydrophobicContact CE1-CD1 3.6Å; F254-I349 HydrophobicContact CZ-CD1 4.1Å
255S77.2Confident79.6Confident3 Ų376.3 Ų76.32%0.02137%0.374CS..G310 helixtrans-56.5-36.2-17750.70000114.5F257 F258 D259 D358S255-F257 PolarHBondContact O-N 3.37Å; S255-F258 WeakPolarHBondContact O-CA 3.06Å; S255-F258 WeakPolarHBondContact O-CB 3.49Å; S255-F258 PolarHBondContact O-N 3.24Å; S255-D259 PolarHBondContact O-N 2.89Å; S255-D358 WeakPolarHBondContact CB-O 3.3Å; S255-D358 WeakPolarHBondContact CB-OD1 3.38Å; S255-D358 PolarHBondContact N-OD1 2.84Å; S255-D358 PolarHBondContact N-OD2 2.74Å; S255-D358 PolarHBondContact OG-OD1 2.94Å
256D81.4Confident79.4Confident116 Ų11677.6 Ų77.662%0.6238%0.384SS*.G310 helixtrans-59.7-31.7179.8-66.1-20.1000113F254 F258 D259F254-D256 VanDerWaalsContact C-N 3.29Å; F254-D256 PolarHBondContact O-N 3.11Å; D256-F258 PolarHBondContact O-N 3.26Å; D256-D259 WeakPolarHBondContact O-CB 3.33Å; D256-D259 PolarHBondContact O-N 3.26Å; D256-D259 VanDerWaalsContact O-N 3.15Å
257F82.9Confident79.4Confident17 Ų1775 Ų758%0.07538%0.375CS..G310 helixtrans-61.3-28.5173.4178-93.1000112R244 S252 F254 S255 T265 V268 R269R244-F257 HydrophobicContact CG-CE1 4.06Å; R244-F257 HydrophobicContact CG-CZ 4.06Å; S252-F257 WeakPolarHBondContact O-CD1 3.15Å; F254-F257 WeakPolarHBondContact O-CB 3.39Å; F254-F257 PolarHBondContact O-N 2.96Å; S255-F257 PolarHBondContact O-N 3.37Å; F257-T265 HydrophobicContact CD2-CG2 3.92Å; F257-T265 HydrophobicContact CE2-CG2 4.48Å; F257-T265 HydrophobicContact CG-CG2 4.44Å; F257-T265 WeakPolarHBondContact O-CB 3.34Å; F257-T265 PolarHBondContact O-OG1 3.12Å; F257-V268 HydrophobicContact CE2-CB 4Å; F257-V268 HydrophobicContact CE2-CG1 3.69Å; F257-V268 HydrophobicContact CZ-CB 4.18Å; F257-V268 HydrophobicContact CZ-CG1 3.75Å; F257-R269 HydrophobicContact CD1-CG 4.47Å; F257-R269 HydrophobicContact CE1-CG 3.47Å; F257-R269 VanDerWaalsContact CE1-CG 3.47Å; F257-R269 HydrophobicContact CZ-CG 3.68Å
258F83.4Confident79.6Confident4 Ų470.8 Ų70.82%0.01836%0.362CS..G310 helixtrans-91.7-0.9-178.5-58.2-75.9000113.2F254 S255 D256 T260 R269 R362 H365 Y366F254-F258 VanDerWaalsContact O-CD2 3.29Å; F254-F258 WeakPolarHBondContact O-CD2 3.37Å; F254-F258 WeakPolarHBondContact O-CE2 3.37Å; S255-F258 WeakPolarHBondContact O-CA 3.06Å; S255-F258 WeakPolarHBondContact O-CB 3.49Å; S255-F258 PolarHBondContact O-N 3.24Å; D256-F258 PolarHBondContact O-N 3.26Å; F258-T260 PolarHBondContact O-N 2.91Å; F258-R269 PolarHBondContact O-NH1 2.7Å; F258-R269 VanDerWaalsContact O-NH1 3.1Å; F258-R362 HydrophobicContact CB-CG 4.15Å; F258-R362 HydrophobicContact CD2-CB 4.33Å; F258-R362 HydrophobicContact CD2-CG 3.63Å; F258-R362 HydrophobicContact CE2-CG 4.21Å; F258-R362 VanDerWaalsContact CE2-CZ 3.41Å; F258-R362 VanDerWaalsContact CE2-NE 3.31Å; F258-R362 HydrophobicContact CG-CG 3.82Å; F258-H365 WeakPolarHBondContact O-CB 3.42Å; F258-Y366 HydrophobicContact CB-CE2 4.21Å; F258-Y366 AromaticContact CD1-CE2 3.75Å; F258-Y366 HydrophobicContact CD1-CE2 3.75Å; F258-Y366 AromaticContact CD1-CZ 3.81Å; F258-Y366 WeakPolarHBondContact CD1-OH 3.38Å; F258-Y366 HydrophobicContact CE1-CE2 4.49Å; F258-Y366 HydrophobicContact CG-CE2 4.13Å
259D81.8Confident80.1Confident43 Ų4370.3 Ų70.323%0.2336%0.359CS..  trans-60.4131.7174.8-168.215000110.8S255 D256 K261 T265 R269 H365S255-D259 PolarHBondContact O-N 2.89Å; D256-D259 WeakPolarHBondContact O-CB 3.33Å; D256-D259 PolarHBondContact O-N 3.26Å; D256-D259 VanDerWaalsContact O-N 3.15Å; D259-K261 PolarHBondContact O-N 2.84Å; D259-T265 PolarHBondContact O-OG1 3.06Å; D259-R269 PolarHBondContact O-NH2 3.01Å; D259-H365 WeakPolarHBondContact CA-ND1 3.41Å; D259-H365 IonicContact OD1-CE1 2.73Å; D259-H365 PolarHBondContact OD1-CE1 3.19Å; D259-H365 IonicContact OD1-ND1 3.18Å; D259-H365 PolarHBondContact OD1-ND1 3.29Å
260T77.5Confident81.1Confident27 Ų2765 Ų6517%0.16634%0.337CS..THydrogen-bonded Turntrans-83.2-7-174.367.40000112.4F258 I266 E369F258-T260 PolarHBondContact O-N 2.91Å; T260-I266 WeakPolarHBondContact O-CD1 3.14Å; T260-E369 WeakPolarHBondContact CB-OE1 3.37Å; T260-E369 VanDerWaalsContact CG2-CD 3.49Å; T260-E369 HydrophobicContact CG2-CG 4.3Å; T260-E369 WeakPolarHBondContact CG2-OE1 3.5Å; T260-E369 WeakPolarHBondContact CG2-OE2 3.31Å; T260-E369 PolarHBondContact OG1-OE1 3.26Å
261K82.3Confident82.3Confident185 Ų18561.3 Ų61.380%0.80432%0.319SS*.THydrogen-bonded Turntrans-90.7-13.8175.4-62.7-176.1177.8-175.70114D259 A263D259-K261 PolarHBondContact O-N 2.84Å; K261-A263 PolarHBondContact O-N 3.28Å
262N84.2Confident83.6Confident62 Ų6254.3 Ų54.333%0.33229%0.287SS..  trans-87.7105.9-178.2-174.5-26000110.4D264 T265 I266N262-D264 VanDerWaalsContact C-N 3.31Å; N262-D264 PolarHBondContact O-N 3.04Å; N262-D264 PolarHBondContact OD1-N 3.31Å; N262-D264 VanDerWaalsContact OD1-N 3.13Å; N262-T265 HydrophobicContact CB-CG2 4.04Å; N262-T265 WeakPolarHBondContact CB-OG1 3.32Å; N262-T265 VanDerWaalsContact CG-CG2 3.49Å; N262-T265 WeakPolarHBondContact ND2-CG2 3.11Å; N262-T265 PolarHBondContact O-N 3.19Å; N262-T265 PolarHBondContact O-OG1 2.94Å; N262-T265 VanDerWaalsContact O-OG1 3.06Å; N262-T265 PolarHBondContact OD1-N 2.8Å; N262-I266 VanDerWaalsContact O-CG1 3.29Å; N262-I266 WeakPolarHBondContact O-CG1 3.46Å; N262-I266 PolarHBondContact O-N 2.99Å
263A82.6Confident84.6Confident70 Ų7054.3 Ų54.358%0.57929%0.287SS*.Hα-helixtrans-60.9-37.4-176.700000113K261 I266 S267K261-A263 PolarHBondContact O-N 3.28Å; A263-I266 PolarHBondContact O-N 3.29Å; A263-S267 PolarHBondContact O-N 2.9Å
264D83.9Confident85.4Confident129 Ų12956.5 Ų56.569%0.6930%0.297SS*.Hα-helixtrans-65.2-43.4179.6-63.7-28.8000110.6N262 S267 V268N262-D264 VanDerWaalsContact C-N 3.31Å; N262-D264 PolarHBondContact O-N 3.04Å; N262-D264 PolarHBondContact OD1-N 3.31Å; N262-D264 VanDerWaalsContact OD1-N 3.13Å; D264-S267 WeakPolarHBondContact O-CB 3.44Å; D264-S267 PolarHBondContact O-N 3.32Å; D264-V268 WeakPolarHBondContact O-CG2 3.46Å; D264-V268 PolarHBondContact O-N 2.97Å
265T85.1Confident86.2Confident15 Ų1555.4 Ų55.49%0.09230%0.295CS..Hα-helixtrans-73.4-29.1179.773.70000112.4F257 D259 N262 R269F257-T265 HydrophobicContact CD2-CG2 3.92Å; F257-T265 HydrophobicContact CE2-CG2 4.48Å; F257-T265 HydrophobicContact CG-CG2 4.44Å; F257-T265 WeakPolarHBondContact O-CB 3.34Å; F257-T265 PolarHBondContact O-OG1 3.12Å; D259-T265 PolarHBondContact O-OG1 3.06Å; N262-T265 HydrophobicContact CB-CG2 4.04Å; N262-T265 WeakPolarHBondContact CB-OG1 3.32Å; N262-T265 VanDerWaalsContact CG-CG2 3.49Å; N262-T265 WeakPolarHBondContact ND2-CG2 3.11Å; N262-T265 PolarHBondContact O-N 3.19Å; N262-T265 PolarHBondContact O-OG1 2.94Å; N262-T265 VanDerWaalsContact O-OG1 3.06Å; N262-T265 PolarHBondContact OD1-N 2.8Å; T265-R269 WeakPolarHBondContact O-CB 3.15Å; T265-R269 VanDerWaalsContact O-CG 3.25Å; T265-R269 WeakPolarHBondContact O-CG 3.41Å; T265-R269 PolarHBondContact O-N 3.4Å; T265-R269 PolarHBondContact O-NE 3.3Å; T265-R269 VanDerWaalsContact O-NE 3.12Å; T265-R269 PolarHBondContact OG1-NH2 3.17Å
266I85.3Confident87.1Confident80 Ų8055.2 Ų55.241%0.4129%0.294SS..Hα-helixtrans-62.4-47.4170.1-67.7165.3000110T260 N262 A263 V268 R269 Q270T260-I266 WeakPolarHBondContact O-CD1 3.14Å; N262-I266 VanDerWaalsContact O-CG1 3.29Å; N262-I266 WeakPolarHBondContact O-CG1 3.46Å; N262-I266 PolarHBondContact O-N 2.99Å; A263-I266 PolarHBondContact O-N 3.29Å; I266-V268 PolarHBondContact O-N 3.01Å; I266-R269 VanDerWaalsContact CG1-NH2 3.26Å; I266-R269 PolarHBondContact O-N 3.23Å; I266-Q270 WeakPolarHBondContact O-CB 3.31Å; I266-Q270 PolarHBondContact O-N 3.49Å
267S87.7Confident87.8Confident60 Ų6050.2 Ų50.242%0.4227%0.267SS..Hα-helixtrans-58.7-47.5177.9-176.60000111.6A263 D264 R269 Q270 Q271A263-S267 PolarHBondContact O-N 2.9Å; D264-S267 WeakPolarHBondContact O-CB 3.44Å; D264-S267 PolarHBondContact O-N 3.32Å; S267-R269 PolarHBondContact O-N 3.05Å; S267-Q270 WeakPolarHBondContact O-CB 3.11Å; S267-Q270 PolarHBondContact O-N 2.85Å; S267-Q270 VanDerWaalsContact O-N 3.17Å; S267-Q271 WeakPolarHBondContact O-CG 3.11Å; S267-Q271 PolarHBondContact O-N 2.86Å
268V87.7Confident88.5Confident30 Ų3052.2 Ų52.218%0.18229%0.287CS..Hα-helixtrans-62.2-42.9177.2175.20000112.1F248 F257 D264 I266 Q270 Q271 C272F248-V268 HydrophobicContact CB-CG1 4.01Å; F248-V268 HydrophobicContact CD1-CG1 3.48Å; F248-V268 VanDerWaalsContact CD1-CG1 3.48Å; F248-V268 HydrophobicContact CD1-CG2 4.24Å; F248-V268 HydrophobicContact CD2-CG1 3.62Å; F248-V268 HydrophobicContact CE1-CG1 3.76Å; F248-V268 HydrophobicContact CE1-CG2 4.2Å; F248-V268 HydrophobicContact CE2-CG1 3.89Å; F248-V268 HydrophobicContact CG-CG1 3.4Å; F248-V268 HydrophobicContact CZ-CG1 3.96Å; F257-V268 HydrophobicContact CE2-CB 4Å; F257-V268 HydrophobicContact CE2-CG1 3.69Å; F257-V268 HydrophobicContact CZ-CB 4.18Å; F257-V268 HydrophobicContact CZ-CG1 3.75Å; D264-V268 WeakPolarHBondContact O-CG2 3.46Å; D264-V268 PolarHBondContact O-N 2.97Å; I266-V268 PolarHBondContact O-N 3.01Å; V268-Q270 VanDerWaalsContact C-N 3.27Å; V268-Q270 PolarHBondContact O-N 3.29Å; V268-Q271 PolarHBondContact O-N 3.28Å; V268-C272 PolarHBondContact O-N 3.28Å; V268-C272 PolarHBondContact O-SG 2.83Å
269R88.3Confident89.2Confident41 Ų4153.8 Ų53.816%0.15530%0.296CS..Hα-helixtrans-61.8-36.8175.8-77.5179.5-70.7-174.5-12.1112.2F257 F258 D259 T265 I266 S267 A273F257-R269 HydrophobicContact CD1-CG 4.47Å; F257-R269 HydrophobicContact CE1-CG 3.47Å; F257-R269 VanDerWaalsContact CE1-CG 3.47Å; F257-R269 HydrophobicContact CZ-CG 3.68Å; F258-R269 PolarHBondContact O-NH1 2.7Å; F258-R269 VanDerWaalsContact O-NH1 3.1Å; D259-R269 PolarHBondContact O-NH2 3.01Å; T265-R269 WeakPolarHBondContact O-CB 3.15Å; T265-R269 VanDerWaalsContact O-CG 3.25Å; T265-R269 WeakPolarHBondContact O-CG 3.41Å; T265-R269 PolarHBondContact O-N 3.4Å; T265-R269 PolarHBondContact O-NE 3.3Å; T265-R269 VanDerWaalsContact O-NE 3.12Å; T265-R269 PolarHBondContact OG1-NH2 3.17Å; I266-R269 VanDerWaalsContact CG1-NH2 3.26Å; I266-R269 PolarHBondContact O-N 3.23Å; S267-R269 PolarHBondContact O-N 3.05Å; R269-A273 PolarHBondContact O-N 3.4Å; R269-A273 VanDerWaalsContact O-N 3.15Å
270Q90.3Very high89.9Confident56 Ų5651.8 Ų51.826%0.26229%0.285SS..Hα-helixtrans-67.1-47.7176-176.657.540.400111I266 S267 V268 C272 A273 D274I266-Q270 WeakPolarHBondContact O-CB 3.31Å; I266-Q270 PolarHBondContact O-N 3.49Å; S267-Q270 WeakPolarHBondContact O-CB 3.11Å; S267-Q270 PolarHBondContact O-N 2.85Å; S267-Q270 VanDerWaalsContact O-N 3.17Å; V268-Q270 VanDerWaalsContact C-N 3.27Å; V268-Q270 PolarHBondContact O-N 3.29Å; Q270-C272 VanDerWaalsContact C-N 3.29Å; Q270-C272 PolarHBondContact O-N 3.06Å; Q270-A273 WeakPolarHBondContact O-CA 3.47Å; Q270-A273 WeakPolarHBondContact O-CB 3.33Å; Q270-A273 PolarHBondContact O-N 3.4Å; Q270-D274 VanDerWaalsContact NE2-CG 3.33Å; Q270-D274 PolarHBondContact NE2-OD1 3.23Å; Q270-D274 PolarHBondContact NE2-OD2 3.34Å; Q270-D274 VanDerWaalsContact NE2-OD2 3.16Å; Q270-D274 VanDerWaalsContact O-CG 3.3Å; Q270-D274 PolarHBondContact O-N 2.91Å
271Q91.7Very high90.9Very high89 Ų8950.9 Ų50.942%0.41628%0.28SS..Hα-helixtrans-57.5-40.7175.1-68.5175.818.800112.5F248 S267 V268 A273 D274 L275F248-Q271 HydrophobicContact CZ-CB 4.18Å; S267-Q271 WeakPolarHBondContact O-CG 3.11Å; S267-Q271 PolarHBondContact O-N 2.86Å; V268-Q271 PolarHBondContact O-N 3.28Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 3.2Å; Q271-D274 PolarHBondContact O-N 3.45Å; Q271-L275 WeakPolarHBondContact O-CG 3.42Å; Q271-L275 PolarHBondContact O-N 3.14Å
272C92.1Very high91.6Very high4 Ų447.6 Ų47.63%0.02726%0.262CS..Hα-helixtrans-60.2-41.9174.1-66.50000112.2F248 V268 Q270 A276F248-C272 WeakPolarHBondContact CD2-SG 3.32Å; F248-C272 WeakPolarHBondContact CE2-SG 3.37Å; V268-C272 PolarHBondContact O-N 3.28Å; V268-C272 PolarHBondContact O-SG 2.83Å; Q270-C272 VanDerWaalsContact C-N 3.29Å; Q270-C272 PolarHBondContact O-N 3.06Å; C272-A276 WeakPolarHBondContact O-CB 3.32Å; C272-A276 PolarHBondContact O-N 2.91Å; C272-A276 VanDerWaalsContact O-N 3.15Å
273A93.4Very high92.2Very high0 Ų045.7 Ų45.70%025%0.25CS..Hα-helixtrans-67.3-41.3177.900000111.4L240 R269 Q270 Q271 A276 L277 R303L240-A273 HydrophobicContact CD2-CB 3.87Å; R269-A273 PolarHBondContact O-N 3.4Å; R269-A273 VanDerWaalsContact O-N 3.15Å; Q270-A273 WeakPolarHBondContact O-CA 3.47Å; Q270-A273 WeakPolarHBondContact O-CB 3.33Å; Q270-A273 PolarHBondContact O-N 3.4Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 3.2Å; A273-A276 PolarHBondContact O-N 3.02Å; A273-L277 WeakPolarHBondContact O-CB 3.33Å; A273-L277 VanDerWaalsContact O-CG 3.27Å; A273-L277 WeakPolarHBondContact O-CG 3.36Å; A273-L277 PolarHBondContact O-N 3.5Å; A273-R303 VanDerWaalsContact CB-NH1 3.34Å
274D94.8Very high92.8Very high65 Ų6542.6 Ų42.635%0.34822%0.224SC..Hα-helixtrans-66-42.7179.9-64.6-31000111.7Q270 Q271 A276 L277 A278Q270-D274 VanDerWaalsContact NE2-CG 3.33Å; Q270-D274 PolarHBondContact NE2-OD1 3.23Å; Q270-D274 PolarHBondContact NE2-OD2 3.34Å; Q270-D274 VanDerWaalsContact NE2-OD2 3.16Å; Q270-D274 VanDerWaalsContact O-CG 3.3Å; Q270-D274 PolarHBondContact O-N 2.91Å; Q271-D274 PolarHBondContact O-N 3.45Å; D274-A276 PolarHBondContact O-N 3.37Å; D274-L277 PolarHBondContact O-N 3.46Å; D274-A278 WeakPolarHBondContact O-CB 3.49Å; D274-A278 PolarHBondContact O-N 2.88Å
275L95.7Very high93.2Very high67 Ų6742 Ų4235%0.35122%0.217SC..Hα-helixtrans-60.4-45.8173.3-72.2170.6000111.9Y243 Y247 Q271 L277 A278 D279Y243-L275 HydrophobicContact CD1-CB 3.99Å; Y243-L275 HydrophobicContact CE1-CB 4.35Å; Y247-L275 HydrophobicContact CD1-CD1 4.18Å; Y247-L275 HydrophobicContact CD2-CD1 3.79Å; Y247-L275 HydrophobicContact CE1-CD1 4.31Å; Y247-L275 HydrophobicContact CE2-CD1 3.96Å; Y247-L275 HydrophobicContact CG-CD1 3.92Å; Q271-L275 WeakPolarHBondContact O-CG 3.42Å; Q271-L275 PolarHBondContact O-N 3.14Å; L275-L277 VanDerWaalsContact C-N 3.33Å; L275-L277 PolarHBondContact O-N 2.94Å; L275-A278 PolarHBondContact O-N 2.82Å; L275-D279 PolarHBondContact O-N 3.25Å; L275-D279 VanDerWaalsContact O-N 3.14Å
276A96.6Very high93.5Very high0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-65.5-36.7178.100000112.3L240 Y243 C272 A273 D274 D279 V280 F294L240-A276 HydrophobicContact CD1-CB 3.68Å; L240-A276 HydrophobicContact CG-CB 4.27Å; Y243-A276 HydrophobicContact CD1-CB 4.11Å; Y243-A276 HydrophobicContact CD2-CB 3.82Å; Y243-A276 HydrophobicContact CE1-CB 4.07Å; Y243-A276 HydrophobicContact CE2-CB 3.78Å; Y243-A276 HydrophobicContact CG-CB 4.01Å; C272-A276 WeakPolarHBondContact O-CB 3.32Å; C272-A276 PolarHBondContact O-N 2.91Å; C272-A276 VanDerWaalsContact O-N 3.15Å; A273-A276 PolarHBondContact O-N 3.02Å; D274-A276 PolarHBondContact O-N 3.37Å; A276-D279 PolarHBondContact O-N 2.93Å; A276-V280 WeakPolarHBondContact O-CG2 3.47Å; A276-V280 PolarHBondContact O-N 3.21Å; A276-F294 HydrophobicContact CB-CE2 3.78Å; A276-F294 HydrophobicContact CB-CZ 4.47Å
277L97.1Very high93.3Very high10 Ų1049.2 Ų49.25%0.05225%0.252CS..Hα-helixtrans-68.2-43.6176.6-76.3168.8000112.1A273 D274 L275 D279 V280 C281 F294 F306 L307 L311A273-L277 WeakPolarHBondContact O-CB 3.33Å; A273-L277 VanDerWaalsContact O-CG 3.27Å; A273-L277 WeakPolarHBondContact O-CG 3.36Å; A273-L277 PolarHBondContact O-N 3.5Å; D274-L277 PolarHBondContact O-N 3.46Å; L275-L277 VanDerWaalsContact C-N 3.33Å; L275-L277 PolarHBondContact O-N 2.94Å; L277-D279 VanDerWaalsContact C-N 3.26Å; L277-D279 PolarHBondContact O-N 3.27Å; L277-V280 WeakPolarHBondContact O-CB 3.38Å; L277-V280 PolarHBondContact O-N 2.87Å; L277-V280 VanDerWaalsContact O-N 3.1Å; L277-C281 PolarHBondContact O-N 3.37Å; L277-C281 PolarHBondContact O-SG 3.34Å; L277-F294 HydrophobicContact CD2-CD2 4.05Å; L277-F294 HydrophobicContact CD2-CE2 3.61Å; L277-F294 HydrophobicContact CD2-CZ 3.98Å; L277-F294 HydrophobicContact CG-CE2 3.66Å; L277-F294 HydrophobicContact CG-CZ 3.88Å; L277-F306 HydrophobicContact CD1-CE1 3.64Å; L277-F306 HydrophobicContact CD1-CZ 4.27Å; L277-L307 HydrophobicContact CD1-CD2 3.75Å; L277-L307 HydrophobicContact CD2-CD2 3.57Å; L277-L307 HydrophobicContact CG-CD2 4.15Å; L277-L311 HydrophobicContact CD2-CD1 4.36Å; L277-L311 HydrophobicContact CD2-CD2 3.92Å; L277-L311 HydrophobicContact CD2-CG 4.29Å
278A96.8Very high93.2Very high60 Ų6049.5 Ų49.550%0.49625%0.252SS..Hα-helixtrans-57.8-42175.300000111.5D274 L275 C281 R282D274-A278 WeakPolarHBondContact O-CB 3.49Å; D274-A278 PolarHBondContact O-N 2.88Å; L275-A278 PolarHBondContact O-N 2.82Å; A278-C281 PolarHBondContact O-N 3.31Å; A278-R282 WeakPolarHBondContact O-CB 3.14Å; A278-R282 PolarHBondContact O-N 3.04Å
279D97.7Very high93.2Very high37 Ų3748.2 Ų48.220%0.19825%0.245CC..Hα-helixtrans-66.6-35.9175-83.4-15.7000113.5F238 Y243 L275 A276 L277 R282 Y283F238-D279 HydrophobicContact CD1-CB 4.15Å; F238-D279 HydrophobicContact CE1-CB 3.9Å; Y243-D279 VanDerWaalsContact CE1-OD2 3.26Å; Y243-D279 WeakPolarHBondContact CE1-OD2 3.47Å; Y243-D279 WeakPolarHBondContact OH-CB 3.36Å; Y243-D279 PolarHBondContact OH-OD2 3Å; L275-D279 PolarHBondContact O-N 3.25Å; L275-D279 VanDerWaalsContact O-N 3.14Å; A276-D279 PolarHBondContact O-N 2.93Å; L277-D279 VanDerWaalsContact C-N 3.26Å; L277-D279 PolarHBondContact O-N 3.27Å; D279-R282 IonicContact OD1-CZ 3.9Å; D279-R282 IonicContact OD1-NE 2.93Å; D279-R282 IonicContact OD1-NH2 3.66Å; D279-R282 PolarHBondContact OD1-NH2 3.35Å; D279-Y283 WeakPolarHBondContact O-CB 3.37Å; D279-Y283 PolarHBondContact O-N 2.98Å
280V98.2Very high93.5Very high0 Ų050.5 Ų50.50%026%0.257CS..Hα-helixtrans-63.1-49.5172.8163.80000110.8V206 F238 A276 L277 Y283 L284 A292 F294 L311V206-V280 HydrophobicContact CG1-CG1 4.27Å; V206-V280 HydrophobicContact CG2-CG1 4.13Å; F238-V280 HydrophobicContact CB-CG2 3.98Å; F238-V280 HydrophobicContact CD1-CG2 3.81Å; F238-V280 HydrophobicContact CD2-CG2 3.51Å; F238-V280 HydrophobicContact CE1-CG2 4.14Å; F238-V280 HydrophobicContact CE2-CG2 3.86Å; F238-V280 HydrophobicContact CG-CG2 3.48Å; F238-V280 VanDerWaalsContact CG-CG2 3.48Å; F238-V280 HydrophobicContact CZ-CG2 4.16Å; A276-V280 WeakPolarHBondContact O-CG2 3.47Å; A276-V280 PolarHBondContact O-N 3.21Å; L277-V280 WeakPolarHBondContact O-CB 3.38Å; L277-V280 PolarHBondContact O-N 2.87Å; L277-V280 VanDerWaalsContact O-N 3.1Å; V280-Y283 PolarHBondContact O-N 3.44Å; V280-L284 HydrophobicContact CG1-CD1 4.26Å; V280-L284 WeakPolarHBondContact O-CG 3.34Å; V280-L284 PolarHBondContact O-N 2.85Å; V280-L284 VanDerWaalsContact O-N 3.14Å; V280-A292 HydrophobicContact CB-CB 4.46Å; V280-A292 HydrophobicContact CG1-CB 3.71Å; V280-A292 HydrophobicContact CG2-CB 4.18Å; V280-F294 HydrophobicContact CG2-CD2 4.1Å; V280-L311 HydrophobicContact CG1-CD2 4.19Å
281C97.2Very high93.8Very high9 Ų947.9 Ų47.96%0.06124%0.244CC..Hα-helixtrans-61.1-50.1-178.9-62.20000110.6L277 A278 Y283 L284 E285 H315 F317L277-C281 PolarHBondContact O-N 3.37Å; L277-C281 PolarHBondContact O-SG 3.34Å; A278-C281 PolarHBondContact O-N 3.31Å; C281-Y283 VanDerWaalsContact C-N 3.34Å; C281-Y283 PolarHBondContact O-N 3.47Å; C281-L284 PolarHBondContact O-N 3.3Å; C281-L284 VanDerWaalsContact O-N 3.11Å; C281-E285 WeakPolarHBondContact O-CB 3.31Å; C281-E285 VanDerWaalsContact O-CG 3.32Å; C281-E285 WeakPolarHBondContact O-CG 3.13Å; C281-E285 PolarHBondContact O-N 3.37Å; C281-H315 PolarHBondContact SG-CD2 3.13Å; C281-H315 PolarHBondContact SG-NE2 3.26Å; C281-F317 HydrophobicContact CB-CE2 4.25Å
282R96.7Very high94.1Very high116 Ų11643.6 Ų43.644%0.43823%0.225SC..Hα-helixtrans-56-46.1176.4-176.5174.254.6830.2112.5A278 D279 L284 E285 E286A278-R282 WeakPolarHBondContact O-CB 3.14Å; A278-R282 PolarHBondContact O-N 3.04Å; D279-R282 IonicContact OD1-CZ 3.9Å; D279-R282 IonicContact OD1-NE 2.93Å; D279-R282 IonicContact OD1-NH2 3.66Å; D279-R282 PolarHBondContact OD1-NH2 3.35Å; R282-L284 VanDerWaalsContact C-N 3.28Å; R282-L284 PolarHBondContact O-N 3.12Å; R282-E285 PolarHBondContact O-N 3.09Å; R282-E286 HydrophobicContact CG-CG 4.11Å; R282-E286 WeakPolarHBondContact CG-OE1 3.33Å; R282-E286 IonicContact NH1-OE2 3.96Å; R282-E286 VanDerWaalsContact O-CB 3.3Å; R282-E286 WeakPolarHBondContact O-CB 3.36Å; R282-E286 WeakPolarHBondContact O-CG 3.31Å; R282-E286 PolarHBondContact O-N 2.98Å
283Y97.3Very high94.4Very high21 Ų2143.4 Ų43.48%0.08222%0.223CC..Hα-helixtrans-57.9-38.9178.2169.6-104.9000112.9K236 F238 D279 V280 C281 T288 G289 V291 A292K236-Y283 HydrophobicContact CB-CE1 3.99Å; K236-Y283 HydrophobicContact CB-CE2 4Å; K236-Y283 HydrophobicContact CD-CD2 4.29Å; K236-Y283 HydrophobicContact CD-CE2 4.2Å; K236-Y283 PolarHBondContact N-OH 3.45Å; F238-Y283 AromaticContact CE2-CD1 3.89Å; F238-Y283 HydrophobicContact CE2-CD1 3.89Å; F238-Y283 HydrophobicContact CE2-CE1 4.34Å; F238-Y283 HydrophobicContact CE2-CG 4.26Å; F238-Y283 AromaticContact CZ-CD1 3.81Å; F238-Y283 HydrophobicContact CZ-CD1 3.81Å; F238-Y283 HydrophobicContact CZ-CD2 4.37Å; F238-Y283 AromaticContact CZ-CG 3.71Å; F238-Y283 HydrophobicContact CZ-CG 3.71Å; D279-Y283 WeakPolarHBondContact O-CB 3.37Å; D279-Y283 PolarHBondContact O-N 2.98Å; V280-Y283 PolarHBondContact O-N 3.44Å; C281-Y283 VanDerWaalsContact C-N 3.34Å; C281-Y283 PolarHBondContact O-N 3.47Å; Y283-T288 WeakPolarHBondContact CA-OG1 3.46Å; Y283-T288 WeakPolarHBondContact CD2-OG1 3.33Å; Y283-T288 PolarHBondContact O-N 3.08Å; Y283-T288 PolarHBondContact O-OG1 2.99Å; Y283-G289 PolarHBondContact O-N 3.09Å; Y283-G289 WeakPolarHBondContact OH-CA 3.49Å; Y283-V291 WeakPolarHBondContact CE1-O 3.47Å; Y283-A292 HydrophobicContact CD1-CB 4.14Å; Y283-A292 HydrophobicContact CE1-CB 4.34Å
284L95.1Very high94.7Very high6 Ų643.4 Ų43.43%0.03122%0.223CC..Hα-helixtrans-85.4-32.8-178.8-62.3-178.1000113.3P204 V206 V280 C281 R282 G289 A292 F317P204-L284 HydrophobicContact CB-CB 3.89Å; P204-L284 HydrophobicContact CB-CD1 3.84Å; P204-L284 HydrophobicContact CB-CD2 4.03Å; P204-L284 HydrophobicContact CB-CG 4.11Å; P204-L284 HydrophobicContact CG-CB 4.28Å; V206-L284 HydrophobicContact CG2-CD1 3.5Å; V280-L284 HydrophobicContact CG1-CD1 4.26Å; V280-L284 WeakPolarHBondContact O-CG 3.34Å; V280-L284 PolarHBondContact O-N 2.85Å; V280-L284 VanDerWaalsContact O-N 3.14Å; C281-L284 PolarHBondContact O-N 3.3Å; C281-L284 VanDerWaalsContact O-N 3.11Å; R282-L284 VanDerWaalsContact C-N 3.28Å; R282-L284 PolarHBondContact O-N 3.12Å; L284-G289 WeakPolarHBondContact CD2-O 3.35Å; L284-A292 HydrophobicContact CD1-CB 3.94Å; L284-A292 HydrophobicContact CD2-CB 4.13Å; L284-A292 HydrophobicContact CG-CB 4.17Å; L284-F317 HydrophobicContact CB-CE1 3.81Å; L284-F317 HydrophobicContact CB-CE2 4.38Å; L284-F317 HydrophobicContact CB-CZ 3.73Å; L284-F317 HydrophobicContact CD1-CD1 4.33Å; L284-F317 HydrophobicContact CD1-CD2 4.1Å; L284-F317 HydrophobicContact CD1-CE1 4.33Å; L284-F317 HydrophobicContact CD1-CE2 4.09Å; L284-F317 HydrophobicContact CD1-CG 4.22Å; L284-F317 HydrophobicContact CD1-CZ 4.2Å
285E93.1Very high94.8Very high115 Ų11540.5 Ų40.554%0.53721%0.208SC..Hα-helixtrans-75.9-34.4179.8-72.6172.415500112.9C281 R282 D287 H315 F317C281-E285 WeakPolarHBondContact O-CB 3.31Å; C281-E285 VanDerWaalsContact O-CG 3.32Å; C281-E285 WeakPolarHBondContact O-CG 3.13Å; C281-E285 PolarHBondContact O-N 3.37Å; R282-E285 PolarHBondContact O-N 3.09Å; E285-D287 PolarHBondContact O-N 2.95Å; E285-H315 IonicContact OE1-CE1 3.92Å; E285-H315 PolarHBondContact OE1-CE1 2.93Å; E285-H315 VanDerWaalsContact OE1-CE1 3.29Å; E285-H315 IonicContact OE1-CG 2.67Å; E285-H315 IonicContact OE1-ND1 3.68Å; E285-H315 PolarHBondContact OE1-ND1 3.07Å; E285-F317 HydrophobicContact CG-CE1 4.37Å; E285-F317 HydrophobicContact CG-CZ 3.96Å
286E91.8Very high94.8Very high116 Ų11638 Ų3854%0.54220%0.197SC..THydrogen-bonded Turntrans-77.17.9176.2-67.4176.9171.800113R282 T288R282-E286 HydrophobicContact CG-CG 4.11Å; R282-E286 WeakPolarHBondContact CG-OE1 3.33Å; R282-E286 IonicContact NH1-OE2 3.96Å; R282-E286 VanDerWaalsContact O-CB 3.3Å; R282-E286 WeakPolarHBondContact O-CB 3.36Å; R282-E286 WeakPolarHBondContact O-CG 3.31Å; R282-E286 PolarHBondContact O-N 2.98Å; E286-T288 HydrophobicContact CB-CG2 3.77Å; E286-T288 PolarHBondContact O-N 3.04Å; E286-T288 VanDerWaalsContact O-N 3.11Å
287D80.1Confident94.7Very high131 Ų13139.1 Ų39.170%0.70120%0.204SC*.THydrogen-bonded Turntrans53.827.2-175.3-158.633.1000113.3E285 G289E285-D287 PolarHBondContact O-N 2.95Å; D287-G289 VanDerWaalsContact C-N 3.25Å; D287-G289 PolarHBondContact O-N 3.26Å
288T85.6Confident94.7Very high67 Ų6738.9 Ų38.941%0.41120%0.202SC..SBendtrans-79.2-11.7178.667.90000112.6Y283 E286Y283-T288 WeakPolarHBondContact CA-OG1 3.46Å; Y283-T288 WeakPolarHBondContact CD2-OG1 3.33Å; Y283-T288 PolarHBondContact O-N 3.08Å; Y283-T288 PolarHBondContact O-OG1 2.99Å; E286-T288 HydrophobicContact CB-CG2 3.77Å; E286-T288 PolarHBondContact O-N 3.04Å; E286-T288 VanDerWaalsContact O-N 3.11Å
289G88.4Confident94.5Very high3 Ų336.6 Ų36.63%0.03118%0.183CC..  trans-172.4173.2167.800000114.6Y283 L284 D287Y283-G289 PolarHBondContact O-N 3.09Å; Y283-G289 WeakPolarHBondContact OH-CA 3.49Å; L284-G289 WeakPolarHBondContact CD2-O 3.35Å; D287-G289 VanDerWaalsContact C-N 3.25Å; D287-G289 PolarHBondContact O-N 3.26Å
290H93.2Very high94.4Very high89 Ų8936.1 Ų36.141%0.41218%0.181SC..SBendtrans-100.2-26.6-171.4-53.2120.8000113.3P204 N205 I233 V234P204-H290 WeakPolarHBondContact CA-O 3.44Å; N205-H290 PolarHBondContact N-O 3.12Å; I233-H290 HydrophobicContact CG2-CB 4.07Å; V234-H290 PolarHBondContact N-ND1 2.97Å; V234-H290 PolarHBondContact O-N 3.38Å
291V97.6Very high94.3Very high0 Ų039.6 Ų39.60%020%0.195CC..EExtended strand (participates in β ladder)trans-137.8127.8-175.3-175.20000111.3N205 I207 L228 I233 V234 T235 K236 Y283 V402N205-V291 HydrophobicContact CB-CG1 4.34Å; N205-V291 HydrophobicContact CB-CG2 4.21Å; N205-V291 CarbonylContact O-C 3.48Å; N205-V291 VanDerWaalsContact O-CA 3.26Å; N205-V291 WeakPolarHBondContact O-CA 3.35Å; I207-V291 HydrophobicContact CD1-CG1 3.65Å; I207-V291 HydrophobicContact CG1-CG1 3.9Å; L228-V291 HydrophobicContact CD1-CG1 4.18Å; I233-V291 HydrophobicContact CG2-CG2 3.52Å; V234-V291 PolarHBondContact O-N 2.87Å; V234-V291 VanDerWaalsContact O-N 3.15Å; T235-V291 VanDerWaalsContact CA-O 3.23Å; T235-V291 WeakPolarHBondContact CA-O 3.42Å; T235-V291 HydrophobicContact CG2-CB 3.92Å; T235-V291 HydrophobicContact CG2-CG1 3.99Å; K236-V291 PolarHBondContact N-O 2.84Å; K236-V291 VanDerWaalsContact N-O 3.1Å; Y283-V291 WeakPolarHBondContact CE1-O 3.47Å; V291-V402 HydrophobicContact CG2-CG1 3.81Å
292A98.5Very high94.3Very high0 Ų046.5 Ų46.50%023%0.226CC..EExtended strand (participates in β ladder)trans-108.8132.8170.800000110.4N205 V206 I207 F238 V280 Y283 L284N205-A292 PolarHBondContact O-N 2.76Å; V206-A292 CarbonylContact C-O 3.51Å; V206-A292 WeakPolarHBondContact CA-O 3.49Å; I207-A292 PolarHBondContact N-O 3.4Å; F238-A292 HydrophobicContact CD2-CB 4.09Å; F238-A292 HydrophobicContact CE2-CB 3.73Å; V280-A292 HydrophobicContact CB-CB 4.46Å; V280-A292 HydrophobicContact CG1-CB 3.71Å; V280-A292 HydrophobicContact CG2-CB 4.18Å; Y283-A292 HydrophobicContact CD1-CB 4.14Å; Y283-A292 HydrophobicContact CE1-CB 4.34Å; L284-A292 HydrophobicContact CD1-CB 3.94Å; L284-A292 HydrophobicContact CD2-CB 4.13Å; L284-A292 HydrophobicContact CG-CB 4.17Å
293I98.6Very high94.2Very high0 Ų043.5 Ų43.50%021%0.214CC..EExtended strand (participates in β ladder)trans-106.5109.3174.3-48.9-171.5000109.3I207 M209 A221 L224 C225 T235 K236 V237 F238 D295I207-I293 HydrophobicContact CB-CB 4.49Å; I207-I293 HydrophobicContact CB-CG1 4.23Å; I207-I293 HydrophobicContact CB-CG2 4.29Å; I207-I293 HydrophobicContact CD1-CD1 4.24Å; I207-I293 HydrophobicContact CD1-CG1 4.08Å; I207-I293 HydrophobicContact CG2-CG2 4.4Å; I207-I293 CarbonylContact O-C 3.54Å; I207-I293 WeakPolarHBondContact O-CA 3.33Å; M209-I293 HydrophobicContact CG-CG2 3.97Å; M209-I293 HydrophobicContact SD-CG2 3.99Å; A221-I293 HydrophobicContact CB-CG2 3.82Å; A221-I293 WeakPolarHBondContact O-CD1 3.48Å; L224-I293 HydrophobicContact CB-CD1 4.29Å; L224-I293 HydrophobicContact CD2-CD1 4.16Å; L224-I293 HydrophobicContact CG-CD1 4.21Å; C225-I293 HydrophobicContact CB-CD1 4.03Å; T235-I293 HydrophobicContact CG2-CD1 3.94Å; T235-I293 HydrophobicContact CG2-CG1 3.9Å; K236-I293 PolarHBondContact O-N 3.13Å; V237-I293 CarbonylContact C-O 3.53Å; V237-I293 WeakPolarHBondContact CA-O 2.9Å; V237-I293 HydrophobicContact CG2-CB 4.17Å; V237-I293 HydrophobicContact CG2-CD1 4.28Å; F238-I293 PolarHBondContact N-O 3.02Å; I293-D295 PolarHBondContact O-N 3.14Å
294F98.4Very high94.2Very high0 Ų042.6 Ų42.60%021%0.211CC..EExtended strand (participates in β ladder)trans-8796.6177-166.1-97.4000110I207 V208 M209 L240 A276 L277 V280 A296 L307I207-F294 PolarHBondContact O-N 3.33Å; V208-F294 HydrophobicContact CG1-CD1 4.44Å; V208-F294 HydrophobicContact CG2-CB 4.19Å; M209-F294 PolarHBondContact N-O 3.32Å; L240-F294 HydrophobicContact CD1-CD1 4.23Å; L240-F294 HydrophobicContact CD1-CD2 4.05Å; L240-F294 HydrophobicContact CD1-CE1 3.71Å; L240-F294 HydrophobicContact CD1-CE2 3.53Å; L240-F294 HydrophobicContact CD1-CG 4.4Å; L240-F294 HydrophobicContact CD1-CZ 3.35Å; L240-F294 HydrophobicContact CD2-CE1 4.05Å; L240-F294 HydrophobicContact CD2-CZ 3.89Å; L240-F294 HydrophobicContact CG-CZ 4.2Å; A276-F294 HydrophobicContact CB-CE2 3.78Å; A276-F294 HydrophobicContact CB-CZ 4.47Å; L277-F294 HydrophobicContact CD2-CD2 4.05Å; L277-F294 HydrophobicContact CD2-CE2 3.61Å; L277-F294 HydrophobicContact CD2-CZ 3.98Å; L277-F294 HydrophobicContact CG-CE2 3.66Å; L277-F294 HydrophobicContact CG-CZ 3.88Å; V280-F294 HydrophobicContact CG2-CD2 4.1Å; F294-A296 HydrophobicContact CE1-CB 4.42Å; F294-A296 PolarHBondContact O-N 2.93Å; F294-L307 HydrophobicContact CD1-CD1 4.5Å; F294-L307 HydrophobicContact CD1-CD2 4.42Å; F294-L307 HydrophobicContact CE1-CD1 4.33Å; F294-L307 HydrophobicContact CE1-CD2 3.96Å; F294-L307 HydrophobicContact CZ-CD2 4.19Å
295D97.5Very high94.3Very high3 Ų345.5 Ų45.52%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-93101.6-174.3-178.328.2000111.8M209 T218 A221 V237 F238 N239 L240 I293M209-D295 HydrophobicContact CG-CB 4.2Å; T218-D295 VanDerWaalsContact CA-OD2 3.3Å; T218-D295 WeakPolarHBondContact CA-OD2 3.37Å; T218-D295 VanDerWaalsContact CB-OD2 3.26Å; T218-D295 WeakPolarHBondContact CB-OD2 3.35Å; T218-D295 WeakPolarHBondContact CG2-OD2 3.49Å; T218-D295 PolarHBondContact OG1-OD2 2.81Å; A221-D295 HydrophobicContact CB-CB 4.39Å; V237-D295 HydrophobicContact CG1-CB 3.91Å; F238-D295 PolarHBondContact O-N 3.12Å; N239-D295 HydrophobicContact CB-CB 4.48Å; N239-D295 PolarHBondContact ND2-OD2 2.85Å; L240-D295 PolarHBondContact N-O 2.82Å; I293-D295 PolarHBondContact O-N 3.14Å
296A95.8Very high94.4Very high16 Ų1643 Ų4313%0.13222%0.219CC..SBendtrans-151.6-175.6173.100000111M209 K217 L240 F294M209-A296 VanDerWaalsContact O-O 3.1Å; K217-A296 WeakPolarHBondContact CD-O 3.43Å; K217-A296 WeakPolarHBondContact CE-O 3.42Å; L240-A296 HydrophobicContact CB-CB 4.02Å; L240-A296 HydrophobicContact CD1-CB 4.2Å; L240-A296 HydrophobicContact CD2-CB 3.71Å; L240-A296 HydrophobicContact CG-CB 4.18Å; F294-A296 HydrophobicContact CE1-CB 4.42Å; F294-A296 PolarHBondContact O-N 2.93Å
297T95.1Very high94.7Very high22 Ų2237.5 Ų37.514%0.13519%0.193CC..  trans-76.4-35.617751.20000113V210 G211 P213 S299 Y366V210-T297 WeakPolarHBondContact CA-O 3.42Å; G211-T297 PolarHBondContact N-O 3.37Å; G211-T297 WeakPolarHBondContact O-CA 3.36Å; P213-T297 HydrophobicContact CG-CG2 4.07Å; T297-S299 PolarHBondContact O-N 3.4Å; T297-Y366 HydrophobicContact CG2-CD1 4.08Å; T297-Y366 HydrophobicContact CG2-CD2 4.44Å; T297-Y366 HydrophobicContact CG2-CE1 3.94Å; T297-Y366 HydrophobicContact CG2-CE2 4.33Å; T297-Y366 HydrophobicContact CG2-CG 4.33Å; T297-Y366 WeakPolarHBondContact OG1-CE1 3.46Å
298N96.6Very high95.4Very high5 Ų535.2 Ų35.23%0.02718%0.175CC..  trans41.944.4178.7-59.8-47.6000113V208 M209 V210 T300 R303 R304 L307V208-N298 HydrophobicContact CG1-CB 4.07Å; V208-N298 WeakPolarHBondContact CG1-ND2 3.36Å; M209-N298 WeakPolarHBondContact O-CB 3.47Å; M209-N298 PolarHBondContact O-ND2 3.34Å; V210-N298 HydrophobicContact CG2-CB 4.21Å; N298-T300 PolarHBondContact O-N 3.05Å; N298-R303 HydrophobicContact CB-CG 4.38Å; N298-R304 PolarHBondContact O-NH1 3.16Å; N298-L307 HydrophobicContact CB-CD1 4.42Å
299S92.9Very high95.9Very high12 Ų1234.1 Ų34.18%0.08417%0.17CC..  trans-76.6-17.7-159.949.20000114.9T297 Q371T297-S299 PolarHBondContact O-N 3.4Å; S299-Q371 PolarHBondContact O-N 3.28Å
300T95.2Very high96.2Very high27 Ų2734.9 Ų34.917%0.16617%0.174CC..SBendtrans-109.2150.8-177690000111.8N298 H302 R303 R304 E369N298-T300 PolarHBondContact O-N 3.05Å; T300-H302 VanDerWaalsContact C-N 3.3Å; T300-H302 PolarHBondContact O-N 3.48Å; T300-R303 PolarHBondContact O-N 3.13Å; T300-R303 VanDerWaalsContact OG1-CB 3.3Å; T300-R303 WeakPolarHBondContact OG1-CB 3.1Å; T300-R303 PolarHBondContact OG1-N 2.96Å; T300-R303 VanDerWaalsContact OG1-N 3.13Å; T300-R304 PolarHBondContact O-N 3.43Å; T300-R304 VanDerWaalsContact O-N 3.16Å; T300-E369 HydrophobicContact CG2-CB 4.18Å
301R96.5Very high96.3Very high74 Ų7430.6 Ų30.628%0.27915%0.154SC..Hα-helixtrans-61.2-40.2173-76.8-175.8173.586.813.2112R303 R304 S305 Q371 P372 V377 D378R301-R303 VanDerWaalsContact C-N 3.33Å; R301-R303 PolarHBondContact O-N 2.84Å; R301-R304 VanDerWaalsContact CG-NH2 3.25Å; R301-R304 PolarHBondContact O-N 3.1Å; R301-R304 VanDerWaalsContact O-N 3.13Å; R301-S305 WeakPolarHBondContact O-CB 3.31Å; R301-S305 PolarHBondContact O-N 3.46Å; R301-Q371 HydrophobicContact CG-CB 4.3Å; R301-P372 PolarHBondContact NH2-O 3.27Å; R301-V377 VanDerWaalsContact CZ-CG2 3.46Å; R301-D378 IonicContact CZ-OD2 3.29Å; R301-D378 IonicContact NE-OD1 3.91Å; R301-D378 PolarHBondContact NE-OD1 3.39Å; R301-D378 IonicContact NE-OD2 2.65Å; R301-D378 PolarHBondContact NE-OD2 2.92Å; R301-D378 IonicContact NH2-OD2 3.84Å; R301-D378 PolarHBondContact NH2-OD2 3.26Å
302H95.4Very high96.1Very high154 Ų15432.6 Ų32.671%0.71317%0.166SC*.Hα-helixtrans-56-47175179.7-92.6000111.8T300 R304 S305 F306T300-H302 VanDerWaalsContact C-N 3.3Å; T300-H302 PolarHBondContact O-N 3.48Å; H302-R304 VanDerWaalsContact C-N 3.34Å; H302-R304 PolarHBondContact O-N 3.48Å; H302-S305 PolarHBondContact O-N 2.97Å; H302-F306 WeakPolarHBondContact O-CB 3.46Å; H302-F306 PolarHBondContact O-N 3.46Å
303R95.2Very high95.6Very high52 Ų5237.1 Ų37.120%0.19619%0.191CC..Hα-helixtrans-60.1-43.4176.1175.462.570.8177.3-3111.7A273 N298 T300 R301 F306 L307A273-R303 VanDerWaalsContact CB-NH1 3.34Å; N298-R303 HydrophobicContact CB-CG 4.38Å; T300-R303 PolarHBondContact O-N 3.13Å; T300-R303 VanDerWaalsContact OG1-CB 3.3Å; T300-R303 WeakPolarHBondContact OG1-CB 3.1Å; T300-R303 PolarHBondContact OG1-N 2.96Å; T300-R303 VanDerWaalsContact OG1-N 3.13Å; R301-R303 VanDerWaalsContact C-N 3.33Å; R301-R303 PolarHBondContact O-N 2.84Å; R303-F306 PolarHBondContact O-N 3.31Å; R303-L307 HydrophobicContact CG-CD1 4.19Å; R303-L307 VanDerWaalsContact O-CG 3.27Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 2.78Å
304R97.4Very high95.3Very high3 Ų343.5 Ų43.51%0.01122%0.221CC..Hα-helixtrans-68.6-36.3179.2-65.1-169.8-62.6-94.313.3112.7N298 T300 R301 H302 L307 R308 F321 Q371 D378N298-R304 PolarHBondContact O-NH1 3.16Å; T300-R304 PolarHBondContact O-N 3.43Å; T300-R304 VanDerWaalsContact O-N 3.16Å; R301-R304 VanDerWaalsContact CG-NH2 3.25Å; R301-R304 PolarHBondContact O-N 3.1Å; R301-R304 VanDerWaalsContact O-N 3.13Å; H302-R304 VanDerWaalsContact C-N 3.34Å; H302-R304 PolarHBondContact O-N 3.48Å; R304-L307 PolarHBondContact O-N 3.08Å; R304-R308 PolarHBondContact O-N 3.06Å; R304-F321 HydrophobicContact CB-CE1 3.81Å; R304-F321 HydrophobicContact CB-CZ 3.85Å; R304-F321 HydrophobicContact CG-CD1 4.23Å; R304-F321 HydrophobicContact CG-CE1 3.67Å; R304-F321 HydrophobicContact CG-CZ 4.23Å; R304-Q371 VanDerWaalsContact CZ-O 3.31Å; R304-Q371 PolarHBondContact NH1-O 2.87Å; R304-Q371 PolarHBondContact NH2-O 3.41Å; R304-D378 IonicContact NH2-OD1 2.94Å; R304-D378 IonicContact NH2-OD2 3.85Å
305S96.8Very high94.9Very high66 Ų6646.1 Ų46.146%0.46223%0.233SC..Hα-helixtrans-63.7-45.7172.8-167.60000111.4R301 H302 L307 R308 S309R301-S305 WeakPolarHBondContact O-CB 3.31Å; R301-S305 PolarHBondContact O-N 3.46Å; H302-S305 PolarHBondContact O-N 2.97Å; S305-L307 PolarHBondContact O-N 3.35Å; S305-R308 WeakPolarHBondContact O-CB 3.45Å; S305-R308 PolarHBondContact O-N 3.37Å; S305-S309 PolarHBondContact O-N 3.15Å; S305-S309 PolarHBondContact O-OG 3.33Å
306F95.9Very high94.5Very high63 Ų6352.2 Ų52.228%0.27626%0.263SS..Hα-helixtrans-57.2-47.8173.9168.6-100.2000111.7L277 H302 R303 R308 S309 C310L277-F306 HydrophobicContact CD1-CE1 3.64Å; L277-F306 HydrophobicContact CD1-CZ 4.27Å; H302-F306 WeakPolarHBondContact O-CB 3.46Å; H302-F306 PolarHBondContact O-N 3.46Å; R303-F306 PolarHBondContact O-N 3.31Å; F306-R308 VanDerWaalsContact C-N 3.32Å; F306-R308 PolarHBondContact O-N 3.28Å; F306-S309 PolarHBondContact O-N 3.07Å; F306-C310 PolarHBondContact O-N 3.49Å; F306-C310 PolarHBondContact O-SG 2.87Å
307L97.5Very high94.3Very high0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-61.4-39.3177.6-71170.7000112.4V208 L277 F294 N298 R303 R304 S305 L311V208-L307 HydrophobicContact CG1-CD1 3.75Å; V208-L307 HydrophobicContact CG2-CD1 4.39Å; L277-L307 HydrophobicContact CD1-CD2 3.75Å; L277-L307 HydrophobicContact CD2-CD2 3.57Å; L277-L307 HydrophobicContact CG-CD2 4.15Å; F294-L307 HydrophobicContact CD1-CD1 4.5Å; F294-L307 HydrophobicContact CD1-CD2 4.42Å; F294-L307 HydrophobicContact CE1-CD1 4.33Å; F294-L307 HydrophobicContact CE1-CD2 3.96Å; F294-L307 HydrophobicContact CZ-CD2 4.19Å; N298-L307 HydrophobicContact CB-CD1 4.42Å; R303-L307 HydrophobicContact CG-CD1 4.19Å; R303-L307 VanDerWaalsContact O-CG 3.27Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 2.78Å; R304-L307 PolarHBondContact O-N 3.08Å; S305-L307 PolarHBondContact O-N 3.35Å; L307-L311 HydrophobicContact CB-CD1 4.39Å; L307-L311 VanDerWaalsContact O-CB 3.26Å; L307-L311 WeakPolarHBondContact O-CB 3.41Å; L307-L311 WeakPolarHBondContact O-CD1 3.45Å; L307-L311 WeakPolarHBondContact O-CG 3.5Å; L307-L311 PolarHBondContact O-N 3.16Å
308R95.9Very high94.2Very high84 Ų8452.7 Ų52.732%0.31726%0.259SS..Hα-helixtrans-61.3-48173.6176.6-170.4176.1172.110111.2R304 S305 F306 C310 L311 V312 D313 L319 D380R304-R308 PolarHBondContact O-N 3.06Å; S305-R308 WeakPolarHBondContact O-CB 3.45Å; S305-R308 PolarHBondContact O-N 3.37Å; F306-R308 VanDerWaalsContact C-N 3.32Å; F306-R308 PolarHBondContact O-N 3.28Å; R308-C310 VanDerWaalsContact C-N 3.34Å; R308-C310 PolarHBondContact O-N 2.86Å; R308-L311 PolarHBondContact O-N 2.83Å; R308-V312 HydrophobicContact CG-CB 4.24Å; R308-V312 HydrophobicContact CG-CG2 4.12Å; R308-V312 WeakPolarHBondContact O-CA 3.46Å; R308-V312 VanDerWaalsContact O-CB 3.25Å; R308-V312 WeakPolarHBondContact O-CB 3.18Å; R308-V312 PolarHBondContact O-N 3.24Å; R308-D313 PolarHBondContact O-N 3.35Å; R308-L319 HydrophobicContact CB-CD2 3.96Å; R308-L319 HydrophobicContact CG-CD2 4.41Å; R308-D380 IonicContact CZ-OD2 3.89Å; R308-D380 IonicContact NH1-OD2 2.67Å; R308-D380 PolarHBondContact NH1-OD2 3.48Å; R308-D380 IonicContact NH2-OD2 2.87Å; R308-D380 PolarHBondContact NH2-OD2 2.92Å
309S94.9Very high94.2Very high44 Ų4453.2 Ų53.231%0.30826%0.261SS..Iπ-helixtrans-63.7-40.2-178.8-65.40000112.9S305 F306 D313 Q314S305-S309 PolarHBondContact O-N 3.15Å; S305-S309 PolarHBondContact O-OG 3.33Å; F306-S309 PolarHBondContact O-N 3.07Å; S309-D313 VanDerWaalsContact CA-OD2 3.25Å; S309-D313 WeakPolarHBondContact CA-OD2 3.3Å; S309-D313 WeakPolarHBondContact O-CB 3.44Å; S309-D313 PolarHBondContact O-N 3.36Å; S309-D313 PolarHBondContact OG-OD2 3.42Å; S309-D313 VanDerWaalsContact OG-OD2 3.12Å; S309-Q314 WeakPolarHBondContact O-CG 3.3Å; S309-Q314 PolarHBondContact O-N 3.21Å; S309-Q314 VanDerWaalsContact O-N 3.11Å
310C95.6Very high94.5Very high18 Ų1852.6 Ų52.612%0.12226%0.257CS..Iπ-helixtrans-64.6-58.5172.1-65.40000111.3F306 R308 Q314 H315F306-C310 PolarHBondContact O-N 3.49Å; F306-C310 PolarHBondContact O-SG 2.87Å; R308-C310 VanDerWaalsContact C-N 3.34Å; R308-C310 PolarHBondContact O-N 2.86Å; C310-Q314 WeakPolarHBondContact O-CB 3.16Å; C310-H315 PolarHBondContact O-CD2 3.46Å; C310-H315 PolarHBondContact O-N 3.46Å
311L95.1Very high94.6Very high0 Ų051.4 Ų51.40%025%0.25CC..Iπ-helixtrans-77.8-34.7-165.8-60.3168.7000113.7V206 V208 L277 V280 L307 R308 F317 L319V206-L311 HydrophobicContact CB-CD1 4.13Å; V206-L311 HydrophobicContact CG1-CD1 3.63Å; V206-L311 HydrophobicContact CG1-CD2 4.37Å; V206-L311 HydrophobicContact CG2-CD1 4.5Å; V206-L311 HydrophobicContact CG2-CD2 4.21Å; V208-L311 HydrophobicContact CG2-CD1 4.18Å; L277-L311 HydrophobicContact CD2-CD1 4.36Å; L277-L311 HydrophobicContact CD2-CD2 3.92Å; L277-L311 HydrophobicContact CD2-CG 4.29Å; V280-L311 HydrophobicContact CG1-CD2 4.19Å; L307-L311 HydrophobicContact CB-CD1 4.39Å; L307-L311 VanDerWaalsContact O-CB 3.26Å; L307-L311 WeakPolarHBondContact O-CB 3.41Å; L307-L311 WeakPolarHBondContact O-CD1 3.45Å; L307-L311 WeakPolarHBondContact O-CG 3.5Å; L307-L311 PolarHBondContact O-N 3.16Å; R308-L311 PolarHBondContact O-N 2.83Å; L311-F317 HydrophobicContact CB-CD2 4.44Å; L311-F317 HydrophobicContact CD2-CD2 4.21Å; L311-F317 VanDerWaalsContact O-CB 3.29Å; L311-F317 WeakPolarHBondContact O-CB 3.25Å; L311-F317 PolarHBondContact O-N 2.88Å; L311-L319 HydrophobicContact CD1-CD1 3.94Å
312V92.5Very high94.7Very high41 Ų4147.9 Ų47.925%0.24824%0.237CC..Iπ-helixtrans-97-56.5-176.7-173.40000110.2R308 M316 L319R308-V312 HydrophobicContact CG-CB 4.24Å; R308-V312 HydrophobicContact CG-CG2 4.12Å; R308-V312 WeakPolarHBondContact O-CA 3.46Å; R308-V312 VanDerWaalsContact O-CB 3.25Å; R308-V312 WeakPolarHBondContact O-CB 3.18Å; R308-V312 PolarHBondContact O-N 3.24Å; V312-M316 WeakPolarHBondContact O-CA 3.28Å; V312-M316 PolarHBondContact O-N 3.43Å; V312-L319 HydrophobicContact CG2-CB 3.57Å; V312-L319 HydrophobicContact CG2-CD2 3.88Å; V312-L319 HydrophobicContact CG2-CG 4.39Å
313D90Very high94.9Very high96 Ų9640.6 Ų40.651%0.51320%0.203SC..Iπ-helixtrans-72.6-35.6-170.2-51.3-24.6000111.9R308 S309R308-D313 PolarHBondContact O-N 3.35Å; S309-D313 VanDerWaalsContact CA-OD2 3.25Å; S309-D313 WeakPolarHBondContact CA-OD2 3.3Å; S309-D313 WeakPolarHBondContact O-CB 3.44Å; S309-D313 PolarHBondContact O-N 3.36Å; S309-D313 PolarHBondContact OG-OD2 3.42Å; S309-D313 VanDerWaalsContact OG-OD2 3.12Å
314Q91.2Very high94.9Very high134 Ų13438.4 Ų38.463%0.62620%0.196SC*.Iπ-helixtrans-90.4-40.6179.9-60.6168.31.600113.4S309 C310S309-Q314 WeakPolarHBondContact O-CG 3.3Å; S309-Q314 PolarHBondContact O-N 3.21Å; S309-Q314 VanDerWaalsContact O-N 3.11Å; C310-Q314 WeakPolarHBondContact O-CB 3.16Å
315H89.4Confident94.8Very high55 Ų5539.3 Ų39.326%0.25520%0.201SC..THydrogen-bonded Turntrans-109.1-3.3-172.5-65.9-77.7000114.7C281 E285 C310 F317C281-H315 PolarHBondContact SG-CD2 3.13Å; C281-H315 PolarHBondContact SG-NE2 3.26Å; E285-H315 IonicContact OE1-CE1 3.92Å; E285-H315 PolarHBondContact OE1-CE1 2.93Å; E285-H315 VanDerWaalsContact OE1-CE1 3.29Å; E285-H315 IonicContact OE1-CG 2.67Å; E285-H315 IonicContact OE1-ND1 3.68Å; E285-H315 PolarHBondContact OE1-ND1 3.07Å; C310-H315 PolarHBondContact O-CD2 3.46Å; C310-H315 PolarHBondContact O-N 3.46Å; H315-F317 HydrophobicContact CB-CD1 4.36Å; H315-F317 HydrophobicContact CB-CD2 3.66Å; H315-F317 HydrophobicContact CB-CE1 4.15Å; H315-F317 HydrophobicContact CB-CE2 3.42Å; H315-F317 VanDerWaalsContact CB-CE2 3.42Å; H315-F317 HydrophobicContact CB-CG 4.13Å; H315-F317 HydrophobicContact CB-CZ 3.69Å; H315-F317 AromaticContact CG-CE2 3.93Å; H315-F317 PolarHBondContact O-N 3.12Å; H315-F317 VanDerWaalsContact O-N 3.12Å
316M90.7Very high94.6Very high131 Ų13136.3 Ų36.365%0.64518%0.18SC*.  trans57.923.8178.6-61.7-66.6-69.500114.4V203 V312V203-M316 WeakPolarHBondContact CG1-O 3.06Å; V312-M316 WeakPolarHBondContact O-CA 3.28Å; V312-M316 PolarHBondContact O-N 3.43Å
317F91.7Very high94.2Very high13 Ų1338.6 Ų38.66%0.05720%0.196CC..PPolyproline II helixtrans-74.7156.6175.1-55.8-39.9000112P204 V206 C281 L284 E285 L311 H315P204-F317 HydrophobicContact CB-CD1 3.9Å; P204-F317 HydrophobicContact CB-CE1 4.26Å; P204-F317 HydrophobicContact CG-CD1 4.15Å; P204-F317 HydrophobicContact CG-CE1 4.25Å; V206-F317 HydrophobicContact CG2-CB 3.94Å; V206-F317 HydrophobicContact CG2-CD2 3.84Å; V206-F317 HydrophobicContact CG2-CG 4.15Å; C281-F317 HydrophobicContact CB-CE2 4.25Å; L284-F317 HydrophobicContact CB-CE1 3.81Å; L284-F317 HydrophobicContact CB-CE2 4.38Å; L284-F317 HydrophobicContact CB-CZ 3.73Å; L284-F317 HydrophobicContact CD1-CD1 4.33Å; L284-F317 HydrophobicContact CD1-CD2 4.1Å; L284-F317 HydrophobicContact CD1-CE1 4.33Å; L284-F317 HydrophobicContact CD1-CE2 4.09Å; L284-F317 HydrophobicContact CD1-CG 4.22Å; L284-F317 HydrophobicContact CD1-CZ 4.2Å; E285-F317 HydrophobicContact CG-CE1 4.37Å; E285-F317 HydrophobicContact CG-CZ 3.96Å; L311-F317 HydrophobicContact CB-CD2 4.44Å; L311-F317 HydrophobicContact CD2-CD2 4.21Å; L311-F317 VanDerWaalsContact O-CB 3.29Å; L311-F317 WeakPolarHBondContact O-CB 3.25Å; L311-F317 PolarHBondContact O-N 2.88Å; H315-F317 HydrophobicContact CB-CD1 4.36Å; H315-F317 HydrophobicContact CB-CD2 3.66Å; H315-F317 HydrophobicContact CB-CE1 4.15Å; H315-F317 HydrophobicContact CB-CE2 3.42Å; H315-F317 VanDerWaalsContact CB-CE2 3.42Å; H315-F317 HydrophobicContact CB-CG 4.13Å; H315-F317 HydrophobicContact CB-CZ 3.69Å; H315-F317 AromaticContact CG-CE2 3.93Å; H315-F317 PolarHBondContact O-N 3.12Å; H315-F317 VanDerWaalsContact O-N 3.12Å
318R92.4Very high93.8Very high35 Ų3541.1 Ų41.113%0.13221%0.209CC..EExtended strand (participates in β ladder)trans-85.7117.3173.2-178.2168.2-64.8147.111.7110.3L200 V203 P204 N205 V206 Q403L200-R318 PolarHBondContact O-NH2 3.17Å; V203-R318 HydrophobicContact CG1-CB 4.29Å; P204-R318 PolarHBondContact O-N 2.68Å; N205-R318 CarbonylContact C-O 3.58Å; N205-R318 VanDerWaalsContact CA-O 3.27Å; N205-R318 WeakPolarHBondContact CA-O 3.49Å; N205-R318 WeakPolarHBondContact OD1-CD 3.34Å; N205-R318 WeakPolarHBondContact OD1-CG 3.14Å; V206-R318 PolarHBondContact N-O 2.94Å; R318-Q403 VanDerWaalsContact CG-NE2 3.31Å
319L96.3Very high93.5Very high15 Ų1541.9 Ų41.98%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-94.9137-177.6-174.958.3000112.2V206 V208 R308 L311 V312 F321 Q403V206-L319 HydrophobicContact CB-CD1 4.39Å; V206-L319 WeakPolarHBondContact O-CA 3.34Å; V208-L319 HydrophobicContact CB-CD1 4.36Å; V208-L319 HydrophobicContact CG2-CD1 3.53Å; R308-L319 HydrophobicContact CB-CD2 3.96Å; R308-L319 HydrophobicContact CG-CD2 4.41Å; L311-L319 HydrophobicContact CD1-CD1 3.94Å; V312-L319 HydrophobicContact CG2-CB 3.57Å; V312-L319 HydrophobicContact CG2-CD2 3.88Å; V312-L319 HydrophobicContact CG2-CG 4.39Å; L319-F321 HydrophobicContact CD1-CE2 4.48Å; L319-F321 HydrophobicContact CD1-CZ 4.4Å; L319-F321 HydrophobicContact CD2-CE2 3.54Å; L319-F321 HydrophobicContact CD2-CZ 3.61Å; L319-F321 HydrophobicContact CG-CD2 4.35Å; L319-F321 HydrophobicContact CG-CE2 3.81Å; L319-F321 HydrophobicContact CG-CZ 4.12Å; L319-Q403 PolarHBondContact O-NE2 3.41Å; L319-Q403 VanDerWaalsContact O-NE2 3.15Å
320L98.2Very high93.3Very high0 Ų044.5 Ų44.50%024%0.239CC..EExtended strand (participates in β ladder)trans-134.2125.9169.8177.865.1000109.5V206 I207 V208 V322 I384 I398 Q403 I406V206-L320 PolarHBondContact O-N 3.28Å; I207-L320 CarbonylContact C-O 3.59Å; I207-L320 VanDerWaalsContact CA-O 3.29Å; I207-L320 WeakPolarHBondContact CA-O 3.16Å; V208-L320 PolarHBondContact N-O 3.11Å; L320-V322 HydrophobicContact CD2-CG2 4.19Å; L320-V322 HydrophobicContact CG-CG2 4.23Å; L320-I384 HydrophobicContact CD1-CD1 4.44Å; L320-I384 HydrophobicContact CD1-CG1 4.29Å; L320-I384 HydrophobicContact CD2-CD1 4.09Å; L320-I398 HydrophobicContact CD1-CD1 3.51Å; L320-Q403 HydrophobicContact CB-CG 4.33Å; L320-Q403 HydrophobicContact CD2-CB 4.28Å; L320-Q403 HydrophobicContact CD2-CG 4.12Å; L320-I406 HydrophobicContact CD2-CB 4.28Å; L320-I406 HydrophobicContact CD2-CD1 3.86Å; L320-I406 HydrophobicContact CD2-CG2 3.9Å
321F98.7Very high92.9Very high2 Ų245.2 Ų45.21%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-91.7136.7169.6-62.8-88.6000111.2V208 V210 R304 L319 L373 L381 S382 F383 I384V208-F321 HydrophobicContact CB-CD1 3.6Å; V208-F321 HydrophobicContact CB-CE1 3.79Å; V208-F321 HydrophobicContact CB-CG 4.47Å; V208-F321 HydrophobicContact CG1-CD1 3.65Å; V208-F321 HydrophobicContact CG1-CE1 3.68Å; V208-F321 HydrophobicContact CG2-CE1 4.29Å; V208-F321 CarbonylContact O-C 3.58Å; V208-F321 WeakPolarHBondContact O-CA 3.44Å; V210-F321 HydrophobicContact CG2-CB 4.21Å; V210-F321 HydrophobicContact CG2-CD1 3.76Å; V210-F321 HydrophobicContact CG2-CG 4.44Å; R304-F321 HydrophobicContact CB-CE1 3.81Å; R304-F321 HydrophobicContact CB-CZ 3.85Å; R304-F321 HydrophobicContact CG-CD1 4.23Å; R304-F321 HydrophobicContact CG-CE1 3.67Å; R304-F321 HydrophobicContact CG-CZ 4.23Å; L319-F321 HydrophobicContact CD1-CE2 4.48Å; L319-F321 HydrophobicContact CD1-CZ 4.4Å; L319-F321 HydrophobicContact CD2-CE2 3.54Å; L319-F321 HydrophobicContact CD2-CZ 3.61Å; L319-F321 HydrophobicContact CG-CD2 4.35Å; L319-F321 HydrophobicContact CG-CE2 3.81Å; L319-F321 HydrophobicContact CG-CZ 4.12Å; F321-L373 HydrophobicContact CB-CD1 3.7Å; F321-L381 HydrophobicContact CD2-CB 4.41Å; F321-L381 HydrophobicContact CD2-CD1 4.2Å; F321-L381 HydrophobicContact CE2-CD1 3.87Å; F321-L381 HydrophobicContact CE2-CD2 4.25Å; F321-L381 HydrophobicContact CE2-CG 4.45Å; F321-S382 PolarHBondContact N-O 3.05Å; F321-F383 HydrophobicContact CB-CB 3.84Å; F321-F383 CarbonylContact O-C 3.58Å; F321-F383 WeakPolarHBondContact O-CA 3.45Å; F321-F383 WeakPolarHBondContact O-CB 3.26Å; F321-I384 PolarHBondContact O-N 3.23Å
322V98.6Very high92.6Very high0 Ų045.8 Ų45.80%025%0.245CC..EExtended strand (participates in β ladder)trans-122.7106.1173.8179.60000108.8I207 V208 M209 V210 L320 I384 I386 L410I207-V322 HydrophobicContact CG2-CB 4.33Å; I207-V322 HydrophobicContact CG2-CG2 3.67Å; V208-V322 PolarHBondContact O-N 2.8Å; M209-V322 CarbonylContact C-O 3.54Å; M209-V322 WeakPolarHBondContact CA-O 3.45Å; M209-V322 HydrophobicContact CE-CB 4.1Å; M209-V322 HydrophobicContact CE-CG1 3.91Å; M209-V322 HydrophobicContact SD-CB 4.07Å; M209-V322 HydrophobicContact SD-CG1 4.45Å; V210-V322 PolarHBondContact N-O 2.78Å; L320-V322 HydrophobicContact CD2-CG2 4.19Å; L320-V322 HydrophobicContact CG-CG2 4.23Å; V322-I384 CarbonylContact C-O 3.59Å; V322-I384 WeakPolarHBondContact CA-O 3.32Å; V322-I384 HydrophobicContact CG2-CB 4.49Å; V322-I384 HydrophobicContact CG2-CD1 4.38Å; V322-I386 HydrophobicContact CG1-CD1 4.12Å; V322-L410 HydrophobicContact CG1-CD1 3.86Å; V322-L410 HydrophobicContact CG2-CD1 4.2Å
323E98.4Very high92.5Very high0 Ų046.3 Ų46.30%025%0.246CC..EExtended strand (participates in β ladder)trans-97.2126-179.5-172.5172.6-137.500111.5V210 V325 Y370 P372 L373 I384 K385 I386V210-E323 HydrophobicContact CB-CB 3.91Å; V210-E323 HydrophobicContact CB-CG 4.03Å; V210-E323 HydrophobicContact CG1-CB 4.29Å; V210-E323 HydrophobicContact CG1-CG 3.95Å; V210-E323 VanDerWaalsContact O-CA 3.3Å; V210-E323 WeakPolarHBondContact O-CA 3.38Å; E323-V325 HydrophobicContact CG-CG2 3.77Å; E323-Y370 PolarHBondContact OE1-OH 3.43Å; E323-P372 VanDerWaalsContact OE1-CA 3.28Å; E323-P372 WeakPolarHBondContact OE1-CA 3.22Å; E323-L373 HydrophobicContact CB-CD1 3.86Å; E323-L373 PolarHBondContact OE1-N 3.02Å; E323-L373 WeakPolarHBondContact OE2-CB 3.1Å; E323-L373 PolarHBondContact OE2-N 3.48Å; E323-L373 VanDerWaalsContact OE2-N 3.13Å; E323-I384 PolarHBondContact N-O 3.3Å; E323-K385 HydrophobicContact CB-CG 4.25Å; E323-K385 WeakPolarHBondContact O-CA 3.24Å; E323-K385 WeakPolarHBondContact OE2-CD 3.23Å; E323-K385 WeakPolarHBondContact OE2-CE 3.35Å; E323-K385 IonicContact OE2-NZ 3.5Å; E323-K385 PolarHBondContact OE2-NZ 3.4Å; E323-I386 PolarHBondContact O-N 2.96Å
324S96.4Very high92.4Very high7 Ų744.5 Ų44.55%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-104112.5172.1-169.90000110.3V210 R215V210-S324 PolarHBondContact O-N 2.67Å; R215-S324 WeakPolarHBondContact O-CB 3.44Å; R215-S324 PolarHBondContact O-OG 2.52Å
325V95.5Very high92.2Very high21 Ų2140 Ų4013%0.12722%0.219CC..EExtended strand (participates in β ladder)trans-111.7124.8-179.1-172.90000108.7E323 I386 Y387 D388E323-V325 HydrophobicContact CG-CG2 3.77Å; V325-I386 PolarHBondContact N-O 3.23Å; V325-Y387 HydrophobicContact CB-CD1 4.04Å; V325-Y387 HydrophobicContact CB-CE1 4.48Å; V325-Y387 HydrophobicContact CG1-CD1 4.18Å; V325-Y387 HydrophobicContact CG2-CD1 4.48Å; V325-Y387 HydrophobicContact CG2-CE1 4.47Å; V325-Y387 CarbonylContact O-C 3.56Å; V325-Y387 WeakPolarHBondContact O-CA 3.48Å; V325-D388 PolarHBondContact O-N 2.68Å
326C92.2Very high92.2Very high4 Ų437.4 Ų37.43%0.02721%0.207CC..  trans-155.8118175.7176.10000108.3R215R215-C326 WeakPolarHBondContact CD-O 3.34Å; R215-C326 PolarHBondContact NE-O 3.14Å
327D86.5Confident92.1Very high111 Ų11134.9 Ų34.959%0.59419%0.194SC*.  trans-109.43.8179.7-68-43000112.9P329D327-P329 VanDerWaalsContact O-CD 3.3Å; D327-P329 WeakPolarHBondContact O-CD 3.42Å
328D90Very high91.7Very high52 Ų5239.3 Ų39.328%0.27822%0.218SC..  trans-61.8113.1172.3-173.7-39.2000110.3T330 I331 V332D328-T330 VanDerWaalsContact C-N 3.27Å; D328-T330 PolarHBondContact O-N 3.09Å; D328-T330 WeakPolarHBondContact OD1-CA 3.26Å; D328-T330 VanDerWaalsContact OD1-CB 3.31Å; D328-T330 WeakPolarHBondContact OD1-CB 3.19Å; D328-T330 PolarHBondContact OD1-N 3.23Å; D328-I331 HydrophobicContact CB-CB 4.13Å; D328-I331 HydrophobicContact CB-CD1 3.87Å; D328-I331 HydrophobicContact CB-CG1 3.98Å; D328-I331 PolarHBondContact O-N 3.22Å; D328-I331 PolarHBondContact OD1-N 3.32Å; D328-V332 VanDerWaalsContact O-CG2 3.26Å; D328-V332 WeakPolarHBondContact O-CG2 3.39Å; D328-V332 PolarHBondContact O-N 3.45Å; D328-V332 VanDerWaalsContact O-N 3.09Å
329P89.8Confident91.3Very high101 Ų10138.8 Ų38.866%0.65622%0.219SC*.Hα-helixtrans-65.6-30.7-175.625.9-32.6000112.3D327 D333D327-P329 VanDerWaalsContact O-CD 3.3Å; D327-P329 WeakPolarHBondContact O-CD 3.42Å; P329-D333 VanDerWaalsContact O-CB 3.3Å; P329-D333 WeakPolarHBondContact O-CB 3.34Å; P329-D333 PolarHBondContact O-N 3.02Å
330T90.4Very high90.9Very high98 Ų9840.1 Ų40.160%0.60122%0.224SC*.Hα-helixtrans-67.4-48.3178.6-57.70000110.3D328 V332 D333 T334D328-T330 VanDerWaalsContact C-N 3.27Å; D328-T330 PolarHBondContact O-N 3.09Å; D328-T330 WeakPolarHBondContact OD1-CA 3.26Å; D328-T330 VanDerWaalsContact OD1-CB 3.31Å; D328-T330 WeakPolarHBondContact OD1-CB 3.19Å; D328-T330 PolarHBondContact OD1-N 3.23Å; T330-V332 VanDerWaalsContact C-N 3.3Å; T330-V332 PolarHBondContact O-N 3.14Å; T330-D333 PolarHBondContact O-N 3.09Å; T330-T334 PolarHBondContact O-N 3.21Å; T330-T334 PolarHBondContact O-OG1 3.05Å; T330-T334 VanDerWaalsContact O-OG1 3.05Å
331I87.1Confident90.3Very high33 Ų3340.8 Ų40.817%0.16923%0.228CC..Hα-helixtrans-62.9-40.8179-61.9179000110.9D328 N335 V389 I415D328-I331 HydrophobicContact CB-CB 4.13Å; D328-I331 HydrophobicContact CB-CD1 3.87Å; D328-I331 HydrophobicContact CB-CG1 3.98Å; D328-I331 PolarHBondContact O-N 3.22Å; D328-I331 PolarHBondContact OD1-N 3.32Å; I331-N335 WeakPolarHBondContact O-CB 3.3Å; I331-N335 VanDerWaalsContact O-CG 3.26Å; I331-N335 PolarHBondContact O-N 3.47Å; I331-N335 PolarHBondContact O-ND2 3.27Å; I331-V389 HydrophobicContact CD1-CG2 3.68Å; I331-V389 HydrophobicContact CG2-CG2 3.88Å; I331-I415 HydrophobicContact CG2-CD1 4.29Å
332V88.5Confident89.6Confident13 Ų1345.3 Ų45.38%0.07925%0.252CS..Hα-helixtrans-64.5-45.4177.9172.10000110.8R215 D328 T330 N335 I336R215-V332 VanDerWaalsContact NH1-CG1 3.33Å; D328-V332 VanDerWaalsContact O-CG2 3.26Å; D328-V332 WeakPolarHBondContact O-CG2 3.39Å; D328-V332 PolarHBondContact O-N 3.45Å; D328-V332 VanDerWaalsContact O-N 3.09Å; T330-V332 VanDerWaalsContact C-N 3.3Å; T330-V332 PolarHBondContact O-N 3.14Å; V332-N335 PolarHBondContact O-N 2.83Å; V332-I336 HydrophobicContact CG1-CD1 3.86Å; V332-I336 VanDerWaalsContact O-CG1 3.24Å; V332-I336 WeakPolarHBondContact O-CG1 3.33Å; V332-I336 PolarHBondContact O-N 3.28Å
333D90.7Very high89Confident51 Ų5145.7 Ų45.727%0.27326%0.255SS..Hα-helixtrans-63-47179.8-161.864.2000111.8P329 T330 N335 I336 Q337 K356P329-D333 VanDerWaalsContact O-CB 3.3Å; P329-D333 WeakPolarHBondContact O-CB 3.34Å; P329-D333 PolarHBondContact O-N 3.02Å; T330-D333 PolarHBondContact O-N 3.09Å; D333-N335 PolarHBondContact O-N 2.78Å; D333-I336 WeakPolarHBondContact O-CB 3.28Å; D333-I336 PolarHBondContact O-N 3.45Å; D333-I336 VanDerWaalsContact O-N 3.09Å; D333-Q337 WeakPolarHBondContact O-CG 3.15Å; D333-Q337 PolarHBondContact O-N 2.78Å; D333-Q337 PolarHBondContact OD2-NE2 2.89Å; D333-K356 VanDerWaalsContact CG-NZ 3.32Å; D333-K356 WeakPolarHBondContact OD1-CE 3.45Å; D333-K356 IonicContact OD1-NZ 3.96Å; D333-K356 PolarHBondContact OD1-NZ 3.28Å; D333-K356 IonicContact OD2-NZ 2.69Å; D333-K356 PolarHBondContact OD2-NZ 3.02Å
334T87.8Confident88.5Confident59 Ų5949.4 Ų49.436%0.36228%0.279SS..Hα-helixtrans-57.9-47.1175.2-57.10000111.5T330 I336 Q337 D338T330-T334 PolarHBondContact O-N 3.21Å; T330-T334 PolarHBondContact O-OG1 3.05Å; T330-T334 VanDerWaalsContact O-OG1 3.05Å; T334-I336 VanDerWaalsContact C-N 3.25Å; T334-I336 PolarHBondContact O-N 2.89Å; T334-Q337 PolarHBondContact O-N 3.08Å; T334-D338 VanDerWaalsContact CG2-OD2 3.25Å; T334-D338 WeakPolarHBondContact CG2-OD2 3.35Å; T334-D338 WeakPolarHBondContact O-CB 3.38Å; T334-D338 PolarHBondContact O-N 3.13Å
335N87.7Confident87.9Confident39 Ų3949.9 Ų49.921%0.20928%0.281CS..Hα-helixtrans-61.2-34.5177-78.2-28.7000112.7A214 I331 V332 D333 V339 K340A214-N335 HydrophobicContact CB-CB 4.29Å; A214-N335 PolarHBondContact O-ND2 3.31Å; I331-N335 WeakPolarHBondContact O-CB 3.3Å; I331-N335 VanDerWaalsContact O-CG 3.26Å; I331-N335 PolarHBondContact O-N 3.47Å; I331-N335 PolarHBondContact O-ND2 3.27Å; V332-N335 PolarHBondContact O-N 2.83Å; D333-N335 PolarHBondContact O-N 2.78Å; N335-V339 WeakPolarHBondContact O-CB 3.16Å; N335-V339 PolarHBondContact O-N 2.75Å; N335-K340 PolarHBondContact O-N 3.45Å
336I90Very high87.6Confident0 Ų049.1 Ų49.10%028%0.276CS..Iπ-helixtrans-68.2-52.6176.4-68.2166.7000109.6A214 V332 D333 T334 K340 V341 K356 F359 L360 I363A214-I336 HydrophobicContact CB-CD1 4.35Å; A214-I336 HydrophobicContact CB-CG1 3.62Å; V332-I336 HydrophobicContact CG1-CD1 3.86Å; V332-I336 VanDerWaalsContact O-CG1 3.24Å; V332-I336 WeakPolarHBondContact O-CG1 3.33Å; V332-I336 PolarHBondContact O-N 3.28Å; D333-I336 WeakPolarHBondContact O-CB 3.28Å; D333-I336 PolarHBondContact O-N 3.45Å; D333-I336 VanDerWaalsContact O-N 3.09Å; T334-I336 VanDerWaalsContact C-N 3.25Å; T334-I336 PolarHBondContact O-N 2.89Å; I336-K340 CarbonylContact O-C 3.38Å; I336-K340 WeakPolarHBondContact O-CA 3.42Å; I336-K340 WeakPolarHBondContact O-CB 3.48Å; I336-K340 PolarHBondContact O-N 2.84Å; I336-V341 HydrophobicContact CG2-CG2 4.17Å; I336-V341 WeakPolarHBondContact O-CG2 3.42Å; I336-V341 PolarHBondContact O-N 2.83Å; I336-K356 HydrophobicContact CG2-CG 4.09Å; I336-F359 HydrophobicContact CD1-CD1 4.18Å; I336-F359 HydrophobicContact CG1-CD1 3.83Å; I336-F359 HydrophobicContact CG1-CE1 4.03Å; I336-F359 HydrophobicContact CG2-CD1 4.18Å; I336-L360 HydrophobicContact CD1-CD2 3.77Å; I336-I363 HydrophobicContact CD1-CD1 3.78Å; I336-I363 HydrophobicContact CG1-CD1 4.47Å
337Q88Confident87.2Confident79 Ų7957 Ų5737%0.36931%0.31SS..Iπ-helixtrans-63-48-176.4-72.3179.3-22.900112.6D333 T334 N342 K356D333-Q337 WeakPolarHBondContact O-CG 3.15Å; D333-Q337 PolarHBondContact O-N 2.78Å; D333-Q337 PolarHBondContact OD2-NE2 2.89Å; T334-Q337 PolarHBondContact O-N 3.08Å; Q337-N342 PolarHBondContact O-ND2 2.87Å; Q337-K356 HydrophobicContact CG-CD 4.47Å
338D83.3Confident87.1Confident105 Ų10559.1 Ų59.156%0.56132%0.321SS*.Iπ-helixtrans-79.6-35.7-172-68.6-16.1000112.5T334 N342T334-D338 VanDerWaalsContact CG2-OD2 3.25Å; T334-D338 WeakPolarHBondContact CG2-OD2 3.35Å; T334-D338 WeakPolarHBondContact O-CB 3.38Å; T334-D338 PolarHBondContact O-N 3.13Å; D338-N342 PolarHBondContact O-ND2 3.29Å
339V84.3Confident86.8Confident25 Ų2558.6 Ų58.615%0.15232%0.317CS..Iπ-helixtrans-115-39.2-167.5-174.10000113N335 A598 Y599N335-V339 WeakPolarHBondContact O-CB 3.16Å; N335-V339 PolarHBondContact O-N 2.75Å; V339-A598 HydrophobicContact CG1-CB 4.44Å; V339-A598 HydrophobicContact CG2-CB 3.66Å; V339-Y599 HydrophobicContact CG1-CE2 3.86Å; V339-Y599 VanDerWaalsContact CG1-OH 3.24Å; V339-Y599 WeakPolarHBondContact CG1-OH 3.21Å
340K86.3Confident86.5Confident42 Ų4258.7 Ų58.718%0.18333%0.327CS..Iπ-helixtrans-90-41.9-170.8-59.8-58.8-179.3-170.50113.1A214 N335 I336 N342 S343 Y346 F359A214-K340 HydrophobicContact CB-CG 4.42Å; N335-K340 PolarHBondContact O-N 3.45Å; I336-K340 CarbonylContact O-C 3.38Å; I336-K340 WeakPolarHBondContact O-CA 3.42Å; I336-K340 WeakPolarHBondContact O-CB 3.48Å; I336-K340 PolarHBondContact O-N 2.84Å; K340-N342 PolarHBondContact O-N 2.79Å; K340-S343 WeakPolarHBondContact O-CB 3.35Å; K340-S343 PolarHBondContact O-N 3.29Å; K340-S343 PolarHBondContact O-OG 3.22Å; K340-Y346 WeakPolarHBondContact O-CD2 3.44Å; K340-F359 HydrophobicContact CB-CD1 4.28Å; K340-F359 HydrophobicContact CB-CD2 4.23Å; K340-F359 HydrophobicContact CB-CE1 4.07Å; K340-F359 HydrophobicContact CB-CE2 3.98Å; K340-F359 HydrophobicContact CB-CG 4.34Å; K340-F359 HydrophobicContact CB-CZ 3.89Å; K340-F359 HydrophobicContact CD-CE2 4.13Å; K340-F359 HydrophobicContact CD-CZ 3.81Å; K340-F359 HydrophobicContact CG-CE1 3.84Å; K340-F359 HydrophobicContact CG-CE2 4.07Å; K340-F359 HydrophobicContact CG-CZ 3.56Å
341V85.7Confident86.5Confident14 Ų1457.7 Ų57.79%0.08532%0.318CS..THydrogen-bonded Turntrans-60.9-33.4173.9173.40000111.1I336 S343 K352 A355 K356I336-V341 HydrophobicContact CG2-CG2 4.17Å; I336-V341 WeakPolarHBondContact O-CG2 3.42Å; I336-V341 PolarHBondContact O-N 2.83Å; V341-S343 VanDerWaalsContact C-N 3.31Å; V341-S343 PolarHBondContact O-N 3.47Å; V341-K352 HydrophobicContact CG1-CB 3.83Å; V341-K352 HydrophobicContact CG1-CD 4.16Å; V341-K352 HydrophobicContact CG1-CG 3.75Å; V341-A355 HydrophobicContact CG1-CB 4.17Å; V341-K356 HydrophobicContact CG2-CB 4.17Å
342N85Confident86.6Confident97 Ų9762.2 Ų62.252%0.51934%0.336SS..THydrogen-bonded Turntrans-89.410.8176.3-53.6-50.9000113.6Q337 D338 K340Q337-N342 PolarHBondContact O-ND2 2.87Å; D338-N342 PolarHBondContact O-ND2 3.29Å; K340-N342 PolarHBondContact O-N 2.79Å
343S86.4Confident86.7Confident8 Ų866.6 Ų66.66%0.05636%0.356CS..SBendtrans-79.8163.7-177770000112.2K340 V341 D345 Y346 K347K340-S343 WeakPolarHBondContact O-CB 3.35Å; K340-S343 PolarHBondContact O-N 3.29Å; K340-S343 PolarHBondContact O-OG 3.22Å; V341-S343 VanDerWaalsContact C-N 3.31Å; V341-S343 PolarHBondContact O-N 3.47Å; S343-D345 PolarHBondContact O-N 3.13Å; S343-D345 PolarHBondContact OG-N 2.92Å; S343-Y346 PolarHBondContact O-N 3.24Å; S343-K347 PolarHBondContact O-N 2.87Å
344P86.5Confident86.7Confident78 Ų7869.2 Ų69.251%0.50637%0.368SS..G310 helixtrans-56.7-18.9176-26.936.1000114.8Y346P344-Y346 VanDerWaalsContact C-N 3.29Å; P344-Y346 PolarHBondContact O-N 2.79Å
345D85.6Confident86.8Confident17 Ų1766.5 Ų66.59%0.09135%0.351CS..G310 helixtrans-68.7-28.4178.6-66.5-3.8000111.9R244 R245 S253 S343 R362R244-D345 IonicContact CZ-OD1 3.46Å; R244-D345 IonicContact CZ-OD2 3.74Å; R244-D345 IonicContact NH1-OD2 3.67Å; R244-D345 IonicContact NH2-OD1 3.23Å; R244-D345 PolarHBondContact NH2-OD1 3.35Å; R244-D345 IonicContact NH2-OD2 3.38Å; R244-D345 PolarHBondContact NH2-OD2 2.91Å; R245-D345 WeakPolarHBondContact CD-OD1 3.14Å; R245-D345 IonicContact CZ-OD1 2.78Å; R245-D345 IonicContact NE-OD1 3.19Å; R245-D345 IonicContact NH1-OD1 3.44Å; R245-D345 PolarHBondContact NH1-OD1 2.85Å; R245-D345 IonicContact NH1-OD2 2.8Å; S253-D345 WeakPolarHBondContact CB-O 3.41Å; S343-D345 PolarHBondContact O-N 3.13Å; S343-D345 PolarHBondContact OG-N 2.92Å; D345-R362 IonicContact OD2-CZ 3.81Å; D345-R362 IonicContact OD2-NH1 3.68Å; D345-R362 PolarHBondContact OD2-NH1 3.31Å; D345-R362 IonicContact OD2-NH2 2.78Å
346Y87.8Confident87Confident5 Ų566 Ų662%0.0235%0.347CS..G310 helixtrans-122.319.1-175.2-57.1-61.5000113K340 S343 P344 D348 I349 A355 D358 F359K340-Y346 WeakPolarHBondContact O-CD2 3.44Å; S343-Y346 PolarHBondContact O-N 3.24Å; P344-Y346 VanDerWaalsContact C-N 3.29Å; P344-Y346 PolarHBondContact O-N 2.79Å; Y346-D348 PolarHBondContact O-N 3.25Å; Y346-D348 VanDerWaalsContact O-N 3.14Å; Y346-I349 HydrophobicContact CD1-CD1 3.56Å; Y346-I349 HydrophobicContact CD1-CG1 4.38Å; Y346-I349 HydrophobicContact CE1-CD1 4.3Å; Y346-I349 HydrophobicContact CG-CD1 4.47Å; Y346-I349 PolarHBondContact O-N 2.77Å; Y346-A355 HydrophobicContact CD1-CB 4.03Å; Y346-A355 HydrophobicContact CD2-CB 4.22Å; Y346-A355 HydrophobicContact CG-CB 3.84Å; Y346-D358 HydrophobicContact CE1-CB 4.25Å; Y346-D358 VanDerWaalsContact CE1-OD2 3.29Å; Y346-D358 WeakPolarHBondContact CE1-OD2 3.33Å; Y346-D358 PolarHBondContact OH-OD2 2.83Å; Y346-F359 HydrophobicContact CE2-CB 4.02Å; Y346-F359 AromaticContact CE2-CD2 3.67Å; Y346-F359 HydrophobicContact CE2-CD2 3.67Å; Y346-F359 HydrophobicContact CE2-CG 4.26Å; Y346-F359 WeakPolarHBondContact OH-CA 3.49Å; Y346-F359 WeakPolarHBondContact OH-CB 3.47Å; Y346-F359 PolarHBondContact OH-N 3.14Å
347K83.8Confident87.1Confident171 Ų17170.2 Ų70.274%0.74337%0.37SS*.THydrogen-bonded Turntrans-53.6-37-175.8-174.4-175174.7-169.90113.1S343S343-K347 PolarHBondContact O-N 2.87Å
348D83.8Confident87.3Confident155 Ų15567.3 Ų67.383%0.82936%0.357SS*.THydrogen-bonded Turntrans-96.34.4-176.5-53.9-45.4000113.2Y346Y346-D348 PolarHBondContact O-N 3.25Å; Y346-D348 VanDerWaalsContact O-N 3.14Å
349I83.8Confident87.7Confident40 Ų4062.6 Ų62.621%0.20533%0.331CS..  trans-96.1110.9177.4-53.2-166.3000109.3F254 Y346 D351 M354 A355F254-I349 HydrophobicContact CE1-CD1 3.6Å; F254-I349 HydrophobicContact CZ-CD1 4.1Å; Y346-I349 HydrophobicContact CD1-CD1 3.56Å; Y346-I349 HydrophobicContact CD1-CG1 4.38Å; Y346-I349 HydrophobicContact CE1-CD1 4.3Å; Y346-I349 HydrophobicContact CG-CD1 4.47Å; Y346-I349 PolarHBondContact O-N 2.77Å; I349-D351 WeakPolarHBondContact CG2-O 3.37Å; I349-M354 HydrophobicContact CG2-SD 4.41Å; I349-A355 HydrophobicContact CG2-CB 4.32Å
350A84.2Confident88.1Confident103 Ų10364.8 Ų64.885%0.85134%0.342SS*.  trans-71.7-34.3176.900000112.8K352A350-K352 PolarHBondContact O-N 3.44Å
351D90.1Very high88.4Confident78 Ų7868.7 Ų68.742%0.41736%0.359SS..  trans-79.8102.7179.1-176-7.5000111.2I349 E353 M354 A355I349-D351 WeakPolarHBondContact CG2-O 3.37Å; D351-E353 VanDerWaalsContact C-N 3.3Å; D351-E353 PolarHBondContact O-N 3.14Å; D351-E353 WeakPolarHBondContact OD1-CA 3.44Å; D351-E353 WeakPolarHBondContact OD1-CB 3.31Å; D351-E353 PolarHBondContact OD1-N 2.88Å; D351-M354 HydrophobicContact CB-CB 3.82Å; D351-M354 HydrophobicContact CB-CE 4.46Å; D351-M354 PolarHBondContact O-N 2.9Å; D351-M354 PolarHBondContact OD1-N 2.94Å; D351-M354 VanDerWaalsContact OD1-N 3.08Å; D351-M354 WeakPolarHBondContact OD2-CB 3.35Å; D351-A355 PolarHBondContact O-N 2.78Å; D351-A355 VanDerWaalsContact O-N 3.08Å
352K89.3Confident88.7Confident127 Ų12769.2 Ų69.255%0.55236%0.359SS*.Hα-helixtrans-65.2-30.4178.3-68.2-167.9176-1730113.3V341 A350 K356V341-K352 HydrophobicContact CG1-CB 3.83Å; V341-K352 HydrophobicContact CG1-CD 4.16Å; V341-K352 HydrophobicContact CG1-CG 3.75Å; A350-K352 PolarHBondContact O-N 3.44Å; K352-K356 WeakPolarHBondContact O-CB 3.49Å; K352-K356 PolarHBondContact O-N 3.32Å
353E91.4Very high89.1Confident105 Ų10564.8 Ų64.849%0.49134%0.336SS..Hα-helixtrans-74.4-39.3177.9-71.7-57.1133.500110.9D351 A355 K356 N357D351-E353 VanDerWaalsContact C-N 3.3Å; D351-E353 PolarHBondContact O-N 3.14Å; D351-E353 WeakPolarHBondContact OD1-CA 3.44Å; D351-E353 WeakPolarHBondContact OD1-CB 3.31Å; D351-E353 PolarHBondContact OD1-N 2.88Å; E353-A355 PolarHBondContact O-N 3.34Å; E353-K356 PolarHBondContact O-N 3.03Å; E353-N357 WeakPolarHBondContact O-CB 3.17Å; E353-N357 VanDerWaalsContact O-CG 3.31Å; E353-N357 PolarHBondContact O-N 2.73Å; E353-N357 PolarHBondContact O-ND2 3.44Å
354M89.9Confident89.4Confident107 Ų10768 Ų6853%0.52735%0.35SS..Hα-helixtrans-58.8-47.4170.5-175.5-172.9-61.300111.4I349 D351 K356 N357 D358I349-M354 HydrophobicContact CG2-SD 4.41Å; D351-M354 HydrophobicContact CB-CB 3.82Å; D351-M354 HydrophobicContact CB-CE 4.46Å; D351-M354 PolarHBondContact O-N 2.9Å; D351-M354 PolarHBondContact OD1-N 2.94Å; D351-M354 VanDerWaalsContact OD1-N 3.08Å; D351-M354 WeakPolarHBondContact OD2-CB 3.35Å; M354-K356 PolarHBondContact O-N 3.4Å; M354-N357 PolarHBondContact O-N 3.18Å; M354-D358 WeakPolarHBondContact O-CB 3.08Å; M354-D358 PolarHBondContact O-N 3.34Å
355A90.8Very high89.6Confident1 Ų165.5 Ų65.51%0.00833%0.331CS..Hα-helixtrans-61.2-42.2177.300000112.3V341 Y346 I349 D351 E353 F359V341-A355 HydrophobicContact CG1-CB 4.17Å; Y346-A355 HydrophobicContact CD1-CB 4.03Å; Y346-A355 HydrophobicContact CD2-CB 4.22Å; Y346-A355 HydrophobicContact CG-CB 3.84Å; I349-A355 HydrophobicContact CG2-CB 4.32Å; D351-A355 PolarHBondContact O-N 2.78Å; D351-A355 VanDerWaalsContact O-N 3.08Å; E353-A355 PolarHBondContact O-N 3.34Å; A355-F359 WeakPolarHBondContact O-CB 3.47Å; A355-F359 PolarHBondContact O-N 2.96Å
356K92.1Very high89.9Confident30 Ų3066.1 Ų66.113%0.1333%0.332CS..Hα-helixtrans-60.5-48.2175.1177.6173.3177170.70111.5D333 I336 Q337 V341 K352 E353 M354 F359 L360D333-K356 VanDerWaalsContact CG-NZ 3.32Å; D333-K356 WeakPolarHBondContact OD1-CE 3.45Å; D333-K356 IonicContact OD1-NZ 3.96Å; D333-K356 PolarHBondContact OD1-NZ 3.28Å; D333-K356 IonicContact OD2-NZ 2.69Å; D333-K356 PolarHBondContact OD2-NZ 3.02Å; I336-K356 HydrophobicContact CG2-CG 4.09Å; Q337-K356 HydrophobicContact CG-CD 4.47Å; V341-K356 HydrophobicContact CG2-CB 4.17Å; K352-K356 WeakPolarHBondContact O-CB 3.49Å; K352-K356 PolarHBondContact O-N 3.32Å; E353-K356 PolarHBondContact O-N 3.03Å; M354-K356 PolarHBondContact O-N 3.4Å; K356-F359 PolarHBondContact O-N 3.24Å; K356-L360 HydrophobicContact CG-CD1 4.34Å; K356-L360 WeakPolarHBondContact O-CG 3.33Å; K356-L360 PolarHBondContact O-N 2.97Å
357N92.2Very high90.2Very high87 Ų8771.3 Ų71.347%0.46535%0.352SS..Hα-helixtrans-64.4-42.8-179.8-74.8-39.6000112.6E353 M354 F359 L360 K361E353-N357 WeakPolarHBondContact O-CB 3.17Å; E353-N357 VanDerWaalsContact O-CG 3.31Å; E353-N357 PolarHBondContact O-N 2.73Å; E353-N357 PolarHBondContact O-ND2 3.44Å; M354-N357 PolarHBondContact O-N 3.18Å; N357-F359 VanDerWaalsContact C-N 3.34Å; N357-L360 PolarHBondContact O-N 3.43Å; N357-K361 WeakPolarHBondContact O-CG 3.48Å; N357-K361 PolarHBondContact O-N 3.24Å; N357-K361 VanDerWaalsContact O-N 3.11Å
358D91.6Very high90.6Very high19 Ų1969.8 Ų69.810%0.10235%0.345CS..Hα-helixtrans-60.2-44.4172.9-178.377.4000111.2S255 Y346 M354 L360 K361 R362S255-D358 WeakPolarHBondContact CB-O 3.3Å; S255-D358 WeakPolarHBondContact CB-OD1 3.38Å; S255-D358 PolarHBondContact N-OD1 2.84Å; S255-D358 PolarHBondContact N-OD2 2.74Å; S255-D358 PolarHBondContact OG-OD1 2.94Å; Y346-D358 HydrophobicContact CE1-CB 4.25Å; Y346-D358 VanDerWaalsContact CE1-OD2 3.29Å; Y346-D358 WeakPolarHBondContact CE1-OD2 3.33Å; Y346-D358 PolarHBondContact OH-OD2 2.83Å; M354-D358 WeakPolarHBondContact O-CB 3.08Å; M354-D358 PolarHBondContact O-N 3.34Å; D358-L360 VanDerWaalsContact C-N 3.32Å; D358-L360 PolarHBondContact O-N 3.32Å; D358-K361 WeakPolarHBondContact O-CB 3.35Å; D358-K361 PolarHBondContact O-N 3.42Å; D358-K361 VanDerWaalsContact O-N 3.17Å; D358-R362 PolarHBondContact O-N 2.92Å
359F91.7Very high91Very high5 Ų566.6 Ų66.62%0.02233%0.325CS..Hα-helixtrans-65.6-34.6178.9-162.9-94.5000113.1P213 A214 I336 K340 Y346 A355 K356 N357 R362 I363P213-F359 HydrophobicContact CB-CE1 4.02Å; P213-F359 HydrophobicContact CB-CZ 3.71Å; A214-F359 HydrophobicContact CB-CE1 3.8Å; A214-F359 HydrophobicContact CB-CZ 4.49Å; I336-F359 HydrophobicContact CD1-CD1 4.18Å; I336-F359 HydrophobicContact CG1-CD1 3.83Å; I336-F359 HydrophobicContact CG1-CE1 4.03Å; I336-F359 HydrophobicContact CG2-CD1 4.18Å; K340-F359 HydrophobicContact CB-CD1 4.28Å; K340-F359 HydrophobicContact CB-CD2 4.23Å; K340-F359 HydrophobicContact CB-CE1 4.07Å; K340-F359 HydrophobicContact CB-CE2 3.98Å; K340-F359 HydrophobicContact CB-CG 4.34Å; K340-F359 HydrophobicContact CB-CZ 3.89Å; K340-F359 HydrophobicContact CD-CE2 4.13Å; K340-F359 HydrophobicContact CD-CZ 3.81Å; K340-F359 HydrophobicContact CG-CE1 3.84Å; K340-F359 HydrophobicContact CG-CE2 4.07Å; K340-F359 HydrophobicContact CG-CZ 3.56Å; Y346-F359 HydrophobicContact CE2-CB 4.02Å; Y346-F359 AromaticContact CE2-CD2 3.67Å; Y346-F359 HydrophobicContact CE2-CD2 3.67Å; Y346-F359 HydrophobicContact CE2-CG 4.26Å; Y346-F359 WeakPolarHBondContact OH-CA 3.49Å; Y346-F359 WeakPolarHBondContact OH-CB 3.47Å; Y346-F359 PolarHBondContact OH-N 3.14Å; A355-F359 WeakPolarHBondContact O-CB 3.47Å; A355-F359 PolarHBondContact O-N 2.96Å; K356-F359 PolarHBondContact O-N 3.24Å; N357-F359 VanDerWaalsContact C-N 3.34Å; F359-R362 WeakPolarHBondContact O-CB 3.46Å; F359-R362 PolarHBondContact O-N 2.96Å; F359-I363 HydrophobicContact CD1-CD1 3.88Å; F359-I363 HydrophobicContact CD1-CG1 4.25Å; F359-I363 HydrophobicContact CE1-CD1 3.81Å; F359-I363 HydrophobicContact CE1-CG1 4.05Å; F359-I363 PolarHBondContact O-N 2.84Å
360L93Very high91.6Very high71 Ų7166.8 Ų66.837%0.37232%0.324SS..Hα-helixtrans-63.7-42.3172.9-73.4171.7000111.7I336 K356 N357 D358 R362 I363 E364I336-L360 HydrophobicContact CD1-CD2 3.77Å; K356-L360 HydrophobicContact CG-CD1 4.34Å; K356-L360 WeakPolarHBondContact O-CG 3.33Å; K356-L360 PolarHBondContact O-N 2.97Å; N357-L360 PolarHBondContact O-N 3.43Å; D358-L360 VanDerWaalsContact C-N 3.32Å; D358-L360 PolarHBondContact O-N 3.32Å; L360-R362 VanDerWaalsContact C-N 3.31Å; L360-R362 PolarHBondContact O-N 3.15Å; L360-I363 HydrophobicContact CD2-CD1 4.43Å; L360-I363 WeakPolarHBondContact O-CB 3.45Å; L360-I363 PolarHBondContact O-N 3.31Å; L360-E364 PolarHBondContact O-N 3.44Å
361K92.8Very high92.2Very high125 Ų12565.7 Ų65.754%0.54330%0.301SS..Hα-helixtrans-59.7-42.9172.5-68.6175.3-178.1178.60111.4N357 D358 I363 E364 H365N357-K361 WeakPolarHBondContact O-CG 3.48Å; N357-K361 PolarHBondContact O-N 3.24Å; N357-K361 VanDerWaalsContact O-N 3.11Å; D358-K361 WeakPolarHBondContact O-CB 3.35Å; D358-K361 PolarHBondContact O-N 3.42Å; D358-K361 VanDerWaalsContact O-N 3.17Å; K361-I363 VanDerWaalsContact C-N 3.33Å; K361-I363 PolarHBondContact O-N 2.93Å; K361-E364 WeakPolarHBondContact O-CB 3.18Å; K361-E364 PolarHBondContact O-N 2.81Å; K361-H365 PolarHBondContact O-CD2 3.29Å; K361-H365 PolarHBondContact O-N 3.22Å
362R91.7Very high92.6Very high25 Ų2564.4 Ų64.49%0.09430%0.297CS..Hα-helixtrans-57.7-43.1174.6176.5177.6-178.1177.23112.3F258 D345 D358 F359 L360 E364 H365 Y366F258-R362 HydrophobicContact CB-CG 4.15Å; F258-R362 HydrophobicContact CD2-CB 4.33Å; F258-R362 HydrophobicContact CD2-CG 3.63Å; F258-R362 HydrophobicContact CE2-CG 4.21Å; F258-R362 VanDerWaalsContact CE2-CZ 3.41Å; F258-R362 VanDerWaalsContact CE2-NE 3.31Å; F258-R362 HydrophobicContact CG-CG 3.82Å; D345-R362 IonicContact OD2-CZ 3.81Å; D345-R362 IonicContact OD2-NH1 3.68Å; D345-R362 PolarHBondContact OD2-NH1 3.31Å; D345-R362 IonicContact OD2-NH2 2.78Å; D358-R362 PolarHBondContact O-N 2.92Å; F359-R362 WeakPolarHBondContact O-CB 3.46Å; F359-R362 PolarHBondContact O-N 2.96Å; L360-R362 VanDerWaalsContact C-N 3.31Å; L360-R362 PolarHBondContact O-N 3.15Å; R362-E364 VanDerWaalsContact C-N 3.29Å; R362-E364 PolarHBondContact O-N 3.47Å; R362-H365 PolarHBondContact O-N 2.94Å; R362-Y366 HydrophobicContact CG-CD2 4.28Å; R362-Y366 HydrophobicContact CG-CE2 4.11Å; R362-Y366 VanDerWaalsContact O-CD2 3.29Å; R362-Y366 WeakPolarHBondContact O-CD2 2.88Å; R362-Y366 PolarHBondContact O-N 3.01Å
363I92.5Very high93Very high4 Ų458.5 Ų58.52%0.02127%0.271CS..Hα-helixtrans-59.9-43174.4-70165.6000110.4P213 A214 I336 F359 L360 K361 H365 Y366 R367P213-I363 HydrophobicContact CB-CG1 3.89Å; P213-I363 HydrophobicContact CG-CG1 4.24Å; A214-I363 HydrophobicContact CB-CD1 4.39Å; I336-I363 HydrophobicContact CD1-CD1 3.78Å; I336-I363 HydrophobicContact CG1-CD1 4.47Å; F359-I363 HydrophobicContact CD1-CD1 3.88Å; F359-I363 HydrophobicContact CD1-CG1 4.25Å; F359-I363 HydrophobicContact CE1-CD1 3.81Å; F359-I363 HydrophobicContact CE1-CG1 4.05Å; F359-I363 PolarHBondContact O-N 2.84Å; L360-I363 HydrophobicContact CD2-CD1 4.43Å; L360-I363 WeakPolarHBondContact O-CB 3.45Å; L360-I363 PolarHBondContact O-N 3.31Å; K361-I363 VanDerWaalsContact C-N 3.33Å; K361-I363 PolarHBondContact O-N 2.93Å; I363-H365 PolarHBondContact O-N 3.42Å; I363-Y366 PolarHBondContact O-N 3.22Å; I363-R367 WeakPolarHBondContact O-CB 3.5Å; I363-R367 PolarHBondContact O-N 3.33Å
364E92.6Very high93.3Very high76 Ų7656.6 Ų56.636%0.35527%0.265SS..Hα-helixtrans-64.9-37.7-178.3-169.752.7-145.700112.8L360 K361 R362 Y366 R367 K368L360-E364 PolarHBondContact O-N 3.44Å; K361-E364 WeakPolarHBondContact O-CB 3.18Å; K361-E364 PolarHBondContact O-N 2.81Å; R362-E364 VanDerWaalsContact C-N 3.29Å; R362-E364 PolarHBondContact O-N 3.47Å; E364-Y366 PolarHBondContact O-N 2.96Å; E364-R367 PolarHBondContact O-N 2.77Å; E364-R367 IonicContact OE2-CZ 2.82Å; E364-R367 IonicContact OE2-NH1 3.82Å; E364-R367 PolarHBondContact OE2-NH1 3.45Å; E364-K368 WeakPolarHBondContact O-CG 3.27Å; E364-K368 PolarHBondContact O-N 3.21Å
365H91.2Very high93.6Very high25 Ų2553.9 Ų53.912%0.11626%0.255CS..Hα-helixtrans-59.8-44.4171.9-69.9-71.2000112.2F258 D259 K361 R362 I363F258-H365 WeakPolarHBondContact O-CB 3.42Å; D259-H365 WeakPolarHBondContact CA-ND1 3.41Å; D259-H365 IonicContact OD1-CE1 2.73Å; D259-H365 PolarHBondContact OD1-CE1 3.19Å; D259-H365 IonicContact OD1-ND1 3.18Å; D259-H365 PolarHBondContact OD1-ND1 3.29Å; K361-H365 PolarHBondContact O-CD2 3.29Å; K361-H365 PolarHBondContact O-N 3.22Å; R362-H365 PolarHBondContact O-N 2.94Å; I363-H365 PolarHBondContact O-N 3.42Å
366Y92.3Very high93.8Very high30 Ų3058 Ų5812%0.11828%0.284CS..Hα-helixtrans-69.1-34.7176.4-79-71.9000113P213 F258 T297 R362 I363 E364 K368 E369 Y370P213-Y366 HydrophobicContact CG-CD2 3.59Å; P213-Y366 HydrophobicContact CG-CE2 4.09Å; P213-Y366 HydrophobicContact CG-CG 4.26Å; F258-Y366 HydrophobicContact CB-CE2 4.21Å; F258-Y366 AromaticContact CD1-CE2 3.75Å; F258-Y366 HydrophobicContact CD1-CE2 3.75Å; F258-Y366 AromaticContact CD1-CZ 3.81Å; F258-Y366 WeakPolarHBondContact CD1-OH 3.38Å; F258-Y366 HydrophobicContact CE1-CE2 4.49Å; F258-Y366 HydrophobicContact CG-CE2 4.13Å; T297-Y366 HydrophobicContact CG2-CD1 4.08Å; T297-Y366 HydrophobicContact CG2-CD2 4.44Å; T297-Y366 HydrophobicContact CG2-CE1 3.94Å; T297-Y366 HydrophobicContact CG2-CE2 4.33Å; T297-Y366 HydrophobicContact CG2-CG 4.33Å; T297-Y366 WeakPolarHBondContact OG1-CE1 3.46Å; R362-Y366 HydrophobicContact CG-CD2 4.28Å; R362-Y366 HydrophobicContact CG-CE2 4.11Å; R362-Y366 VanDerWaalsContact O-CD2 3.29Å; R362-Y366 WeakPolarHBondContact O-CD2 2.88Å; R362-Y366 PolarHBondContact O-N 3.01Å; I363-Y366 PolarHBondContact O-N 3.22Å; E364-Y366 PolarHBondContact O-N 2.96Å; Y366-K368 VanDerWaalsContact C-N 3.31Å; Y366-K368 PolarHBondContact O-N 3.39Å; Y366-E369 PolarHBondContact O-N 2.95Å; Y366-Y370 WeakPolarHBondContact O-CB 3.43Å; Y366-Y370 PolarHBondContact O-N 2.87Å; Y366-Y370 VanDerWaalsContact O-N 3.17Å
367R93.4Very high94Very high114 Ų11460.7 Ų60.743%0.4330%0.302SS..Hα-helixtrans-61.7-38.3-178-177.3-179.8-81.2141.7-13112I363 E364 E369 Y370I363-R367 WeakPolarHBondContact O-CB 3.5Å; I363-R367 PolarHBondContact O-N 3.33Å; E364-R367 PolarHBondContact O-N 2.77Å; E364-R367 IonicContact OE2-CZ 2.82Å; E364-R367 IonicContact OE2-NH1 3.82Å; E364-R367 PolarHBondContact OE2-NH1 3.45Å; R367-E369 PolarHBondContact O-N 3.17Å; R367-Y370 PolarHBondContact O-N 3.45Å
368K93.1Very high94.2Very high139 Ų13957 Ų5760%0.60428%0.283SS*.THydrogen-bonded Turntrans-58.6-30.4-178.7-71.3169.4-175.7171.90114.3E364 Y366E364-K368 WeakPolarHBondContact O-CG 3.27Å; E364-K368 PolarHBondContact O-N 3.21Å; Y366-K368 VanDerWaalsContact C-N 3.31Å; Y366-K368 PolarHBondContact O-N 3.39Å
369E91.2Very high94.2Very high87 Ų8759.3 Ų59.341%0.40730%0.3SS..THydrogen-bonded Turntrans-113.53.6-178-64.4-176.9176.900113T260 T300 Y366 R367 Q371T260-E369 WeakPolarHBondContact CB-OE1 3.37Å; T260-E369 VanDerWaalsContact CG2-CD 3.49Å; T260-E369 HydrophobicContact CG2-CG 4.3Å; T260-E369 WeakPolarHBondContact CG2-OE1 3.5Å; T260-E369 WeakPolarHBondContact CG2-OE2 3.31Å; T260-E369 PolarHBondContact OG1-OE1 3.26Å; T300-E369 HydrophobicContact CG2-CB 4.18Å; Y366-E369 PolarHBondContact O-N 2.95Å; R367-E369 PolarHBondContact O-N 3.17Å; E369-Q371 PolarHBondContact O-N 3.26Å
370Y96.3Very high94.2Very high45 Ų4563 Ų6318%0.17632%0.321CS..  trans-69.2120.3-174.4178.7-136.5000111.2L212 E323 Y366 R367 P372L212-Y370 HydrophobicContact CD1-CD1 3.9Å; L212-Y370 HydrophobicContact CD1-CE1 4.23Å; L212-Y370 HydrophobicContact CD2-CD1 3.95Å; L212-Y370 HydrophobicContact CD2-CD2 4.43Å; L212-Y370 HydrophobicContact CD2-CG 3.83Å; L212-Y370 HydrophobicContact CG-CD1 3.72Å; L212-Y370 HydrophobicContact CG-CE1 3.96Å; L212-Y370 HydrophobicContact CG-CG 4.07Å; E323-Y370 PolarHBondContact OE1-OH 3.43Å; Y366-Y370 WeakPolarHBondContact O-CB 3.43Å; Y366-Y370 PolarHBondContact O-N 2.87Å; Y366-Y370 VanDerWaalsContact O-N 3.17Å; R367-Y370 PolarHBondContact O-N 3.45Å; Y370-P372 HydrophobicContact CD1-CG 4.17Å; Y370-P372 HydrophobicContact CE1-CB 4.45Å; Y370-P372 HydrophobicContact CE1-CG 3.77Å; Y370-P372 HydrophobicContact CE2-CG 4.39Å
371Q97.4Very high94.3Very high79 Ų7960.5 Ų60.537%0.36931%0.307SS..  trans-11795177.3-68.8173.6-25.700107.9S299 R301 R304 E369S299-Q371 PolarHBondContact O-N 3.28Å; R301-Q371 HydrophobicContact CG-CB 4.3Å; R304-Q371 VanDerWaalsContact CZ-O 3.31Å; R304-Q371 PolarHBondContact NH1-O 2.87Å; R304-Q371 PolarHBondContact NH2-O 3.41Å; E369-Q371 PolarHBondContact O-N 3.26Å
372P97.5Very high94.5Very high52 Ų5255.6 Ų55.634%0.33829%0.289SS..  trans-58156.5-179.1-21.230.7000112.2R301 E323 Y370R301-P372 PolarHBondContact NH2-O 3.27Å; E323-P372 VanDerWaalsContact OE1-CA 3.28Å; E323-P372 WeakPolarHBondContact OE1-CA 3.22Å; Y370-P372 HydrophobicContact CD1-CG 4.17Å; Y370-P372 HydrophobicContact CE1-CB 4.45Å; Y370-P372 HydrophobicContact CE1-CG 3.77Å; Y370-P372 HydrophobicContact CE2-CG 4.39Å
373L98.1Very high94.8Very high2 Ų254.4 Ų54.41%0.0128%0.284CS..  trans-64.1135.4169.4-70166000109.9V210 F321 E323 D378 L381 F383 K385V210-L373 HydrophobicContact CG2-CD1 4.34Å; F321-L373 HydrophobicContact CB-CD1 3.7Å; E323-L373 HydrophobicContact CB-CD1 3.86Å; E323-L373 PolarHBondContact OE1-N 3.02Å; E323-L373 WeakPolarHBondContact OE2-CB 3.1Å; E323-L373 PolarHBondContact OE2-N 3.48Å; E323-L373 VanDerWaalsContact OE2-N 3.13Å; L373-D378 HydrophobicContact CD2-CB 4.37Å; L373-L381 HydrophobicContact CD2-CD1 4.27Å; L373-F383 HydrophobicContact CB-CD2 4.05Å; L373-F383 HydrophobicContact CB-CE2 4.05Å; L373-F383 HydrophobicContact CB-CG 4.43Å; L373-F383 HydrophobicContact CB-CZ 4.45Å; L373-F383 HydrophobicContact CD1-CB 3.73Å; L373-F383 HydrophobicContact CD1-CD2 4.01Å; L373-F383 HydrophobicContact CD1-CG 3.94Å; L373-K385 HydrophobicContact CB-CD 4.2Å; L373-K385 HydrophobicContact CB-CG 4.46Å; L373-K385 WeakPolarHBondContact O-CD 3.34Å; L373-K385 PolarHBondContact O-NZ 3.29Å
374D97.4Very high95.1Very high66 Ų6654.3 Ų54.335%0.35328%0.284SS..  trans-140.1121.4-176.5-175.3-31.3000109.9S376 V377 D378D374-S376 PolarHBondContact O-N 3.36Å; D374-S376 WeakPolarHBondContact OD1-CB 3.31Å; D374-S376 PolarHBondContact OD1-N 2.87Å; D374-S376 PolarHBondContact OD1-OG 3.37Å; D374-S376 PolarHBondContact OD2-OG 2.92Å; D374-V377 HydrophobicContact CB-CG2 3.79Å; D374-V377 PolarHBondContact O-N 2.58Å; D374-V377 VanDerWaalsContact O-N 3.14Å; D374-D378 PolarHBondContact N-OD2 3.38Å; D374-D378 WeakPolarHBondContact O-CA 3.45Å; D374-D378 VanDerWaalsContact O-CB 3.31Å; D374-D378 WeakPolarHBondContact O-CB 3.47Å; D374-D378 PolarHBondContact O-N 3.24Å
375P96.1Very high95.3Very high49 Ų4951.2 Ų51.232%0.31827%0.269SS..THydrogen-bonded Turntrans-54.5-26.4-180-23.331.1000114.9S379 F383 L394P375-S379 WeakPolarHBondContact O-CA 3.45Å; P375-S379 VanDerWaalsContact O-CB 3.25Å; P375-S379 WeakPolarHBondContact O-CB 3.45Å; P375-F383 HydrophobicContact CB-CZ 4.47Å; P375-F383 HydrophobicContact CG-CZ 4.01Å; P375-L394 HydrophobicContact CG-CD1 3.71Å; P375-L394 HydrophobicContact CG-CD2 4.18Å
376S96.4Very high95.6Very high88 Ų8850.3 Ų50.362%0.61527%0.265SS*.THydrogen-bonded Turntrans-72.2-28.8-178.3640000113.5D374D374-S376 PolarHBondContact O-N 3.36Å; D374-S376 WeakPolarHBondContact OD1-CB 3.31Å; D374-S376 PolarHBondContact OD1-N 2.87Å; D374-S376 PolarHBondContact OD1-OG 3.37Å; D374-S376 PolarHBondContact OD2-OG 2.92Å
377V96.1Very high95.7Very high86 Ų8650.4 Ų50.452%0.52127%0.265SS..THydrogen-bonded Turntrans-122.9-22.3-175.1-66.50000113.5R301 D374R301-V377 VanDerWaalsContact CZ-CG2 3.46Å; D374-V377 HydrophobicContact CB-CG2 3.79Å; D374-V377 PolarHBondContact O-N 2.58Å; D374-V377 VanDerWaalsContact O-N 3.14Å
378D95.9Very high95.6Very high10 Ų1048 Ų485%0.05326%0.261CS..SBendtrans-103.230.4175.2-57-78.5000110.3R301 R304 L373 D374 D380 L381 F383R301-D378 IonicContact CZ-OD2 3.29Å; R301-D378 IonicContact NE-OD1 3.91Å; R301-D378 PolarHBondContact NE-OD1 3.39Å; R301-D378 IonicContact NE-OD2 2.65Å; R301-D378 PolarHBondContact NE-OD2 2.92Å; R301-D378 IonicContact NH2-OD2 3.84Å; R301-D378 PolarHBondContact NH2-OD2 3.26Å; R304-D378 IonicContact NH2-OD1 2.94Å; R304-D378 IonicContact NH2-OD2 3.85Å; L373-D378 HydrophobicContact CD2-CB 4.37Å; D374-D378 PolarHBondContact N-OD2 3.38Å; D374-D378 WeakPolarHBondContact O-CA 3.45Å; D374-D378 VanDerWaalsContact O-CB 3.31Å; D374-D378 WeakPolarHBondContact O-CB 3.47Å; D374-D378 PolarHBondContact O-N 3.24Å; D378-D380 PolarHBondContact O-N 3.39Å; D378-D380 VanDerWaalsContact O-N 3.14Å; D378-L381 HydrophobicContact CB-CD1 4Å; D378-L381 HydrophobicContact CB-CG 4.34Å; D378-L381 PolarHBondContact O-N 3.27Å; D378-L381 VanDerWaalsContact O-N 3.09Å; D378-F383 HydrophobicContact CB-CE1 4.34Å
379S92.1Very high95.3Very high67 Ų6743.6 Ų43.647%0.46925%0.246SC..THydrogen-bonded Turntrans-61.2-24-165.467.30000115.6P375 Q396 N397P375-S379 WeakPolarHBondContact O-CA 3.45Å; P375-S379 VanDerWaalsContact O-CB 3.25Å; P375-S379 WeakPolarHBondContact O-CB 3.45Å; S379-Q396 PolarHBondContact O-NE2 2.9Å; S379-N397 PolarHBondContact O-ND2 3.03Å
380D90.7Very high95.3Very high84 Ų8440.7 Ų40.745%0.44924%0.239SC..THydrogen-bonded Turntrans-94.6-7-178.565.3-39.8000113.3R308 D378R308-D380 IonicContact CZ-OD2 3.89Å; R308-D380 IonicContact NH1-OD2 2.67Å; R308-D380 PolarHBondContact NH1-OD2 3.48Å; R308-D380 IonicContact NH2-OD2 2.87Å; R308-D380 PolarHBondContact NH2-OD2 2.92Å; D378-D380 PolarHBondContact O-N 3.39Å; D378-D380 VanDerWaalsContact O-N 3.14Å
381L95Very high95Very high17 Ų1746.3 Ų46.39%0.08926%0.264CS..SBendtrans-84.3144.8178.8-56.9-173.3000111.7F321 L373 D378 F383 N397F321-L381 HydrophobicContact CD2-CB 4.41Å; F321-L381 HydrophobicContact CD2-CD1 4.2Å; F321-L381 HydrophobicContact CE2-CD1 3.87Å; F321-L381 HydrophobicContact CE2-CD2 4.25Å; F321-L381 HydrophobicContact CE2-CG 4.45Å; L373-L381 HydrophobicContact CD2-CD1 4.27Å; D378-L381 HydrophobicContact CB-CD1 4Å; D378-L381 HydrophobicContact CB-CG 4.34Å; D378-L381 PolarHBondContact O-N 3.27Å; D378-L381 VanDerWaalsContact O-N 3.09Å; L381-F383 HydrophobicContact CB-CD1 4.06Å; L381-F383 WeakPolarHBondContact O-CD1 3.48Å; L381-N397 PolarHBondContact O-ND2 3.05Å
382S96.7Very high94.9Very high23 Ų2349.5 Ų49.516%0.16127%0.273CS..  trans-82.7119.2164.9-57.90000109.6F321 Q396 N397F321-S382 PolarHBondContact N-O 3.05Å; S382-Q396 WeakPolarHBondContact CA-O 3.32Å; S382-N397 VanDerWaalsContact CB-O 3.25Å; S382-N397 WeakPolarHBondContact CB-O 3.29Å; S382-N397 PolarHBondContact OG-O 2.83Å
383F98.2Very high94.8Very high0 Ų049.3 Ų49.30%027%0.267CS..EExtended strand (participates in β ladder)trans-153.2157.417966.5-92.8000116F321 L373 P375 D378 L381 K385 L394 Q396F321-F383 HydrophobicContact CB-CB 3.84Å; F321-F383 CarbonylContact O-C 3.58Å; F321-F383 WeakPolarHBondContact O-CA 3.45Å; F321-F383 WeakPolarHBondContact O-CB 3.26Å; L373-F383 HydrophobicContact CB-CD2 4.05Å; L373-F383 HydrophobicContact CB-CE2 4.05Å; L373-F383 HydrophobicContact CB-CG 4.43Å; L373-F383 HydrophobicContact CB-CZ 4.45Å; L373-F383 HydrophobicContact CD1-CB 3.73Å; L373-F383 HydrophobicContact CD1-CD2 4.01Å; L373-F383 HydrophobicContact CD1-CG 3.94Å; P375-F383 HydrophobicContact CB-CZ 4.47Å; P375-F383 HydrophobicContact CG-CZ 4.01Å; D378-F383 HydrophobicContact CB-CE1 4.34Å; L381-F383 HydrophobicContact CB-CD1 4.06Å; L381-F383 WeakPolarHBondContact O-CD1 3.48Å; F383-K385 HydrophobicContact CD2-CD 4.4Å; F383-K385 HydrophobicContact CD2-CG 3.83Å; F383-K385 HydrophobicContact CE2-CD 3.99Å; F383-K385 HydrophobicContact CE2-CG 3.88Å; F383-L394 HydrophobicContact CD2-CD2 4.19Å; F383-L394 HydrophobicContact CE2-CD2 3.48Å; F383-L394 VanDerWaalsContact CE2-CD2 3.48Å; F383-L394 HydrophobicContact CZ-CD2 4.12Å; F383-Q396 HydrophobicContact CD1-CB 3.93Å; F383-Q396 HydrophobicContact CD1-CG 4.02Å; F383-Q396 HydrophobicContact CD2-CB 4.32Å; F383-Q396 HydrophobicContact CE1-CB 3.73Å; F383-Q396 HydrophobicContact CE1-CG 3.58Å; F383-Q396 HydrophobicContact CE2-CB 4.14Å; F383-Q396 HydrophobicContact CG-CB 4.22Å; F383-Q396 HydrophobicContact CZ-CB 3.83Å; F383-Q396 HydrophobicContact CZ-CG 4.01Å; F383-Q396 PolarHBondContact N-O 2.86Å; F383-Q396 PolarHBondContact O-N 3.05Å
384I98.4Very high94.8Very high1 Ų151.3 Ų51.31%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-121.7125.3173-56.3167.6000107.7L320 F321 V322 E323 I386 F393 L394 V395 I398 I406 V407 L410L320-I384 HydrophobicContact CD1-CD1 4.44Å; L320-I384 HydrophobicContact CD1-CG1 4.29Å; L320-I384 HydrophobicContact CD2-CD1 4.09Å; F321-I384 PolarHBondContact O-N 3.23Å; V322-I384 CarbonylContact C-O 3.59Å; V322-I384 WeakPolarHBondContact CA-O 3.32Å; V322-I384 HydrophobicContact CG2-CB 4.49Å; V322-I384 HydrophobicContact CG2-CD1 4.38Å; E323-I384 PolarHBondContact N-O 3.3Å; I384-I386 HydrophobicContact CG2-CG1 4.13Å; I384-F393 HydrophobicContact CG2-CD1 4.41Å; I384-L394 CarbonylContact C-O 3.52Å; I384-L394 VanDerWaalsContact CA-O 3.32Å; I384-L394 WeakPolarHBondContact CA-O 3.35Å; I384-V395 HydrophobicContact CG2-CG2 4.43Å; I384-I398 HydrophobicContact CD1-CD1 4.35Å; I384-I398 HydrophobicContact CG1-CD1 3.98Å; I384-I406 HydrophobicContact CD1-CG2 3.96Å; I384-V407 HydrophobicContact CD1-CB 4.37Å; I384-V407 HydrophobicContact CD1-CG2 3.47Å; I384-V407 VanDerWaalsContact CD1-CG2 3.47Å; I384-V407 HydrophobicContact CG1-CG2 4Å; I384-L410 HydrophobicContact CD1-CD1 3.86Å; I384-L410 HydrophobicContact CG2-CD1 4.41Å
385K98Very high94.8Very high12 Ų1251.2 Ų51.25%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-104.3127.4166.6-56.6-172.358136.20109.7E323 L373 F383 Y387 F393 L394E323-K385 HydrophobicContact CB-CG 4.25Å; E323-K385 WeakPolarHBondContact O-CA 3.24Å; E323-K385 WeakPolarHBondContact OE2-CD 3.23Å; E323-K385 WeakPolarHBondContact OE2-CE 3.35Å; E323-K385 IonicContact OE2-NZ 3.5Å; E323-K385 PolarHBondContact OE2-NZ 3.4Å; L373-K385 HydrophobicContact CB-CD 4.2Å; L373-K385 HydrophobicContact CB-CG 4.46Å; L373-K385 WeakPolarHBondContact O-CD 3.34Å; L373-K385 PolarHBondContact O-NZ 3.29Å; F383-K385 HydrophobicContact CD2-CD 4.4Å; F383-K385 HydrophobicContact CD2-CG 3.83Å; F383-K385 HydrophobicContact CE2-CD 3.99Å; F383-K385 HydrophobicContact CE2-CG 3.88Å; K385-Y387 HydrophobicContact CB-CD2 4.36Å; K385-Y387 HydrophobicContact CB-CE2 3.67Å; K385-Y387 WeakPolarHBondContact CD-OH 3.36Å; K385-Y387 WeakPolarHBondContact CE-OH 3.37Å; K385-F393 CarbonylContact O-C 3.55Å; K385-F393 VanDerWaalsContact O-CA 3.28Å; K385-F393 WeakPolarHBondContact O-CA 3.43Å; K385-L394 HydrophobicContact CB-CB 4.21Å; K385-L394 PolarHBondContact N-O 3.25Å; K385-L394 PolarHBondContact O-N 3.45Å
386I97.1Very high94.8Very high6 Ų651.2 Ų51.23%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-107.8116.9175.7-50.6178.8000107.1I220 V322 E323 V325 I384 F393 L410I220-I386 HydrophobicContact CD1-CD1 4.11Å; V322-I386 HydrophobicContact CG1-CD1 4.12Å; E323-I386 PolarHBondContact O-N 2.96Å; V325-I386 PolarHBondContact N-O 3.23Å; I384-I386 HydrophobicContact CG2-CG1 4.13Å; I386-F393 HydrophobicContact CB-CD1 4.43Å; I386-F393 HydrophobicContact CB-CE1 4.21Å; I386-F393 HydrophobicContact CD1-CE1 4.22Å; I386-F393 HydrophobicContact CG1-CD1 3.96Å; I386-F393 HydrophobicContact CG1-CE1 3.77Å; I386-F393 HydrophobicContact CG2-CD1 4.36Å; I386-F393 HydrophobicContact CG2-CE1 3.75Å; I386-F393 HydrophobicContact CG2-CZ 4.17Å; I386-L410 HydrophobicContact CD1-CB 4.23Å; I386-L410 HydrophobicContact CD1-CD1 4.18Å; I386-L410 HydrophobicContact CD1-CD2 4.13Å; I386-L410 HydrophobicContact CD1-CG 4.41Å
387Y94.5Very high94.7Very high31 Ų3150.5 Ų50.512%0.12226%0.264CS..EExtended strand (participates in β ladder)trans-103.5137.8-179.1-60.3-90.7000111V325 K385 V389 G390 K391 R392 L394V325-Y387 HydrophobicContact CB-CD1 4.04Å; V325-Y387 HydrophobicContact CB-CE1 4.48Å; V325-Y387 HydrophobicContact CG1-CD1 4.18Å; V325-Y387 HydrophobicContact CG2-CD1 4.48Å; V325-Y387 HydrophobicContact CG2-CE1 4.47Å; V325-Y387 CarbonylContact O-C 3.56Å; V325-Y387 WeakPolarHBondContact O-CA 3.48Å; K385-Y387 HydrophobicContact CB-CD2 4.36Å; K385-Y387 HydrophobicContact CB-CE2 3.67Å; K385-Y387 WeakPolarHBondContact CD-OH 3.36Å; K385-Y387 WeakPolarHBondContact CE-OH 3.37Å; Y387-V389 PolarHBondContact O-N 3.42Å; Y387-G390 PolarHBondContact O-N 2.97Å; Y387-K391 PolarHBondContact O-N 3.49Å; Y387-R392 VanDerWaalsContact CD1-NH2 3.35Å; Y387-R392 HydrophobicContact CD2-CB 4.22Å; Y387-R392 HydrophobicContact CD2-CG 4.11Å; Y387-R392 WeakPolarHBondContact CD2-O 3.17Å; Y387-R392 PolarHBondContact N-O 3.27Å; Y387-R392 PolarHBondContact O-N 2.77Å; Y387-L394 HydrophobicContact CE2-CB 4.02Å
388D90.5Very high94.6Very high64 Ų6448.5 Ų48.534%0.34225%0.25SS..THydrogen-bonded Turntrans48.348171.1-55.4-44000112.5V325 K391V325-D388 PolarHBondContact O-N 2.68Å; D388-K391 HydrophobicContact CB-CB 4.26Å; D388-K391 HydrophobicContact CB-CD 3.91Å; D388-K391 HydrophobicContact CB-CG 4.37Å; D388-K391 WeakPolarHBondContact O-CG 3.35Å
389V88.1Confident94.1Very high47 Ų4750 Ų5029%0.28526%0.26SS..THydrogen-bonded Turntrans61.144.9179.3-153.40000113.5I331 Y387 I415I331-V389 HydrophobicContact CD1-CG2 3.68Å; I331-V389 HydrophobicContact CG2-CG2 3.88Å; Y387-V389 PolarHBondContact O-N 3.42Å; V389-I415 HydrophobicContact CB-CD1 4.33Å; V389-I415 HydrophobicContact CG1-CB 4.18Å; V389-I415 HydrophobicContact CG1-CD1 3.66Å; V389-I415 HydrophobicContact CG1-CG1 3.69Å; V389-I415 HydrophobicContact CG1-CG2 3.49Å; V389-I415 VanDerWaalsContact CG1-CG2 3.49Å; V389-I415 HydrophobicContact CG2-CD1 4.11Å
390G90.6Very high93.7Very high25 Ų2548.5 Ų48.526%0.25826%0.255SS..THydrogen-bonded Turntrans8912.1172.700000114.4Y387 R392 F393Y387-G390 PolarHBondContact O-N 2.97Å; G390-R392 VanDerWaalsContact C-N 3.28Å; G390-R392 PolarHBondContact O-N 3.29Å; G390-F393 WeakPolarHBondContact O-CE2 3.28Å
391K90.2Very high93.5Very high164 Ų16450.3 Ų50.371%0.71326%0.26SS*.THydrogen-bonded Turntrans-67.2-31.1171.7-72.5179.7-175.7173.70112.4Y387 D388Y387-K391 PolarHBondContact O-N 3.49Å; D388-K391 HydrophobicContact CB-CB 4.26Å; D388-K391 HydrophobicContact CB-CD 3.91Å; D388-K391 HydrophobicContact CB-CG 4.37Å; D388-K391 WeakPolarHBondContact O-CG 3.35Å
392R94.5Very high93.4Very high145 Ų14550.7 Ų50.755%0.54726%0.263SS..EExtended strand (participates in β ladder)trans-144.1147.2177.3179.6178.669.5133.4-2.3110.5Y387 G390Y387-R392 VanDerWaalsContact CD1-NH2 3.35Å; Y387-R392 HydrophobicContact CD2-CB 4.22Å; Y387-R392 HydrophobicContact CD2-CG 4.11Å; Y387-R392 WeakPolarHBondContact CD2-O 3.17Å; Y387-R392 PolarHBondContact N-O 3.27Å; Y387-R392 PolarHBondContact O-N 2.77Å; G390-R392 VanDerWaalsContact C-N 3.28Å; G390-R392 PolarHBondContact O-N 3.29Å
393F96.2Very high93.3Very high49 Ų4949.6 Ų49.622%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-124.8145.3176.1-63.6-94.9000110.4I384 K385 I386 G390 L410 M411I384-F393 HydrophobicContact CG2-CD1 4.41Å; K385-F393 CarbonylContact O-C 3.55Å; K385-F393 VanDerWaalsContact O-CA 3.28Å; K385-F393 WeakPolarHBondContact O-CA 3.43Å; I386-F393 HydrophobicContact CB-CD1 4.43Å; I386-F393 HydrophobicContact CB-CE1 4.21Å; I386-F393 HydrophobicContact CD1-CE1 4.22Å; I386-F393 HydrophobicContact CG1-CD1 3.96Å; I386-F393 HydrophobicContact CG1-CE1 3.77Å; I386-F393 HydrophobicContact CG2-CD1 4.36Å; I386-F393 HydrophobicContact CG2-CE1 3.75Å; I386-F393 HydrophobicContact CG2-CZ 4.17Å; G390-F393 WeakPolarHBondContact O-CE2 3.28Å; F393-L410 HydrophobicContact CE1-CB 4.42Å; F393-L410 WeakPolarHBondContact CE1-O 3.35Å; F393-L410 VanDerWaalsContact CZ-O 3.25Å; F393-L410 WeakPolarHBondContact CZ-O 3.47Å; F393-M411 HydrophobicContact CD1-CG 4.17Å; F393-M411 HydrophobicContact CD2-CG 4.1Å; F393-M411 HydrophobicContact CE1-CG 4.23Å; F393-M411 HydrophobicContact CE2-CB 4.43Å; F393-M411 HydrophobicContact CE2-CG 4.16Å; F393-M411 HydrophobicContact CG-CG 4.11Å; F393-M411 HydrophobicContact CZ-CB 4.43Å; F393-M411 HydrophobicContact CZ-CG 4.25Å
394L97.6Very high93.1Very high44 Ų4452.5 Ų52.523%0.2328%0.276CS..EExtended strand (participates in β ladder)trans-123.4127.6162.7-178.8163000107.3P375 F383 I384 K385 Y387 Q396P375-L394 HydrophobicContact CG-CD1 3.71Å; P375-L394 HydrophobicContact CG-CD2 4.18Å; F383-L394 HydrophobicContact CD2-CD2 4.19Å; F383-L394 HydrophobicContact CE2-CD2 3.48Å; F383-L394 VanDerWaalsContact CE2-CD2 3.48Å; F383-L394 HydrophobicContact CZ-CD2 4.12Å; I384-L394 CarbonylContact C-O 3.52Å; I384-L394 VanDerWaalsContact CA-O 3.32Å; I384-L394 WeakPolarHBondContact CA-O 3.35Å; K385-L394 HydrophobicContact CB-CB 4.21Å; K385-L394 PolarHBondContact N-O 3.25Å; K385-L394 PolarHBondContact O-N 3.45Å; Y387-L394 HydrophobicContact CE2-CB 4.02Å; L394-Q396 HydrophobicContact CD2-CB 4.17Å
395V98Very high93Very high63 Ų6354.7 Ų54.738%0.38228%0.284SS..EExtended strand (participates in β ladder)trans-125119.7-174.4179.50000108.1I384 I398 V407I384-V395 HydrophobicContact CG2-CG2 4.43Å; V395-I398 HydrophobicContact CG1-CB 4.32Å; V395-I398 HydrophobicContact CG1-CD1 3.99Å; V395-I398 HydrophobicContact CG1-CG1 3.17Å; V395-V407 HydrophobicContact CG1-CG1 4.41Å; V395-V407 HydrophobicContact CG1-CG2 3.81Å; V395-V407 HydrophobicContact CG2-CG1 3.99Å; V395-V407 HydrophobicContact CG2-CG2 4.39Å
396Q96.4Very high92.9Very high50 Ų5054.1 Ų54.123%0.23428%0.281CS..EExtended strand (participates in β ladder)trans-126.1135.3-173.9176.766.5-12.300111S379 S382 F383 L394 I398S379-Q396 PolarHBondContact O-NE2 2.9Å; S382-Q396 WeakPolarHBondContact CA-O 3.32Å; F383-Q396 HydrophobicContact CD1-CB 3.93Å; F383-Q396 HydrophobicContact CD1-CG 4.02Å; F383-Q396 HydrophobicContact CD2-CB 4.32Å; F383-Q396 HydrophobicContact CE1-CB 3.73Å; F383-Q396 HydrophobicContact CE1-CG 3.58Å; F383-Q396 HydrophobicContact CE2-CB 4.14Å; F383-Q396 HydrophobicContact CG-CB 4.22Å; F383-Q396 HydrophobicContact CZ-CB 3.83Å; F383-Q396 HydrophobicContact CZ-CG 4.01Å; F383-Q396 PolarHBondContact N-O 2.86Å; F383-Q396 PolarHBondContact O-N 3.05Å; L394-Q396 HydrophobicContact CD2-CB 4.17Å; Q396-I398 VanDerWaalsContact C-N 3.3Å; Q396-I398 PolarHBondContact O-N 3.42Å; Q396-I398 VanDerWaalsContact O-N 3.16Å
397N94.4Very high92.9Very high72 Ų7254.8 Ų54.839%0.38529%0.286SS..SBendtrans46.444173-62.1-21.4000114.9S379 L381 S382 V399S379-N397 PolarHBondContact O-ND2 3.03Å; L381-N397 PolarHBondContact O-ND2 3.05Å; S382-N397 VanDerWaalsContact CB-O 3.25Å; S382-N397 WeakPolarHBondContact CB-O 3.29Å; S382-N397 PolarHBondContact OG-O 2.83Å; N397-V399 PolarHBondContact O-N 3.43Å
398I93.4Very high93Very high45 Ų4558.1 Ų58.123%0.23130%0.299CS..  trans-72.7129.4179.1-64.5-57.4000110.9L320 I384 V395 Q396 Q403 V407L320-I398 HydrophobicContact CD1-CD1 3.51Å; I384-I398 HydrophobicContact CD1-CD1 4.35Å; I384-I398 HydrophobicContact CG1-CD1 3.98Å; V395-I398 HydrophobicContact CG1-CB 4.32Å; V395-I398 HydrophobicContact CG1-CD1 3.99Å; V395-I398 HydrophobicContact CG1-CG1 3.17Å; Q396-I398 VanDerWaalsContact C-N 3.3Å; Q396-I398 PolarHBondContact O-N 3.42Å; Q396-I398 VanDerWaalsContact O-N 3.16Å; I398-Q403 HydrophobicContact CD1-CB 4.47Å; I398-Q403 HydrophobicContact CG2-CB 3.65Å; I398-V407 HydrophobicContact CD1-CG2 4.08Å; I398-V407 HydrophobicContact CG1-CG2 3.94Å; I398-V407 HydrophobicContact CG2-CG2 4.37Å
399V85.5Confident93.3Very high42 Ų4255.1 Ų55.126%0.25528%0.283SS..  trans-125.1125.4-176.4-176.70000111.6N397 Q403N397-V399 PolarHBondContact O-N 3.43Å; V399-Q403 WeakPolarHBondContact O-CG 3.44Å
400G83.9Confident93.7Very high35 Ų3552.9 Ų52.936%0.36127%0.269SS..Hα-helixtrans79177.9170.400000114.9S404G400-S404 WeakPolarHBondContact O-CB 3.35Å; G400-S404 PolarHBondContact O-N 3.09Å; G400-S404 PolarHBondContact O-OG 2.89Å
401H87.4Confident93.8Very high121 Ų12156.3 Ų56.356%0.5628%0.28SS*.Hα-helixtrans-65.3-46.7-170.7175.5-109.6000113.3S404 R405H401-S404 PolarHBondContact O-N 3.09Å; H401-R405 WeakPolarHBondContact CE1-CD 3.38Å; H401-R405 WeakPolarHBondContact NE2-CD 3.37Å; H401-R405 WeakPolarHBondContact O-CG 3.25Å; H401-R405 PolarHBondContact O-N 3.17Å
402V92.3Very high93.9Very high25 Ų2549.2 Ų49.215%0.15225%0.25CC..Hα-helixtrans-60.9-50.4-176.8176.10000111N205 I233 V291 S404 R405 I406N205-V402 HydrophobicContact CB-CG1 4.25Å; I233-V402 HydrophobicContact CD1-CG2 4.47Å; V291-V402 HydrophobicContact CG2-CG1 3.81Å; V402-S404 VanDerWaalsContact C-N 3.34Å; V402-S404 PolarHBondContact O-N 3.07Å; V402-R405 PolarHBondContact O-N 2.85Å; V402-I406 HydrophobicContact CG1-CD1 3.83Å; V402-I406 WeakPolarHBondContact O-CD1 3.13Å; V402-I406 VanDerWaalsContact O-CG1 3.26Å; V402-I406 WeakPolarHBondContact O-CG1 3.28Å; V402-I406 PolarHBondContact O-N 3.26Å
403Q94.8Very high93.7Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-63.9-37.9178.5-59.6-168.3-7.300112.6R318 L319 L320 I398 V399 R405 I406 V407R318-Q403 VanDerWaalsContact CG-NE2 3.31Å; L319-Q403 PolarHBondContact O-NE2 3.41Å; L319-Q403 VanDerWaalsContact O-NE2 3.15Å; L320-Q403 HydrophobicContact CB-CG 4.33Å; L320-Q403 HydrophobicContact CD2-CB 4.28Å; L320-Q403 HydrophobicContact CD2-CG 4.12Å; I398-Q403 HydrophobicContact CD1-CB 4.47Å; I398-Q403 HydrophobicContact CG2-CB 3.65Å; V399-Q403 WeakPolarHBondContact O-CG 3.44Å; Q403-R405 VanDerWaalsContact C-N 3.35Å; Q403-R405 PolarHBondContact O-N 2.93Å; Q403-I406 WeakPolarHBondContact O-CB 3.39Å; Q403-I406 PolarHBondContact O-N 3.49Å; Q403-V407 WeakPolarHBondContact O-CG2 3.44Å; Q403-V407 PolarHBondContact O-N 3Å
404S94.3Very high93Very high62 Ų6242.3 Ų42.343%0.43423%0.225SC..Hα-helixtrans-63.3-39.8175.3-57.20000112.2G400 H401 V402 V407 Y408G400-S404 WeakPolarHBondContact O-CB 3.35Å; G400-S404 PolarHBondContact O-N 3.09Å; G400-S404 PolarHBondContact O-OG 2.89Å; H401-S404 PolarHBondContact O-N 3.09Å; V402-S404 VanDerWaalsContact C-N 3.34Å; V402-S404 PolarHBondContact O-N 3.07Å; S404-V407 PolarHBondContact O-N 3.33Å; S404-Y408 PolarHBondContact O-N 2.72Å
405R94.5Very high91.9Very high46 Ų4643.7 Ų43.717%0.17423%0.232CC..Hα-helixtrans-66.4-37.2173.6-74.1-176.574.493.2-4112.6Y227 H401 V402 Q403 V407 Y408 F409 E545Y227-R405 PolarHBondContact OH-NE 2.87Å; Y227-R405 PolarHBondContact OH-NH2 3.09Å; Y227-R405 VanDerWaalsContact OH-NH2 3.14Å; H401-R405 WeakPolarHBondContact CE1-CD 3.38Å; H401-R405 WeakPolarHBondContact NE2-CD 3.37Å; H401-R405 WeakPolarHBondContact O-CG 3.25Å; H401-R405 PolarHBondContact O-N 3.17Å; V402-R405 PolarHBondContact O-N 2.85Å; Q403-R405 VanDerWaalsContact C-N 3.35Å; Q403-R405 PolarHBondContact O-N 2.93Å; R405-V407 VanDerWaalsContact C-N 3.35Å; R405-Y408 WeakPolarHBondContact O-CB 3.12Å; R405-Y408 PolarHBondContact O-N 3.31Å; R405-F409 WeakPolarHBondContact O-CB 3.35Å; R405-F409 PolarHBondContact O-N 2.87Å; R405-E545 IonicContact CZ-OE1 2.97Å; R405-E545 IonicContact CZ-OE2 3.74Å; R405-E545 IonicContact NH1-OE1 3.29Å; R405-E545 IonicContact NH1-OE2 3.51Å; R405-E545 PolarHBondContact NH1-OE2 2.79Å; R405-E545 IonicContact NH2-OE1 3.53Å; R405-E545 PolarHBondContact NH2-OE1 3.3Å; R405-E545 IonicContact NH2-OE2 2.61Å; R405-E545 PolarHBondContact NH2-OE2 3.5Å
406I97.5Very high90.9Very high0 Ų045.1 Ų45.10%024%0.236CC..Hα-helixtrans-60.7-46.3174.6-67.5158.8000110I207 L224 L228 L320 I384 V402 Q403 Y408 F409 L410I207-I406 HydrophobicContact CD1-CD1 3.33Å; I207-I406 HydrophobicContact CD1-CG1 4.1Å; I207-I406 HydrophobicContact CG1-CD1 4.01Å; L224-I406 HydrophobicContact CD1-CB 4.35Å; L224-I406 HydrophobicContact CD1-CG1 4Å; L224-I406 HydrophobicContact CD1-CG2 4.13Å; L224-I406 HydrophobicContact CD2-CG1 4.24Å; L224-I406 HydrophobicContact CD2-CG2 3.77Å; L228-I406 HydrophobicContact CD1-CG1 4.36Å; L228-I406 HydrophobicContact CD2-CG1 4.49Å; L320-I406 HydrophobicContact CD2-CB 4.28Å; L320-I406 HydrophobicContact CD2-CD1 3.86Å; L320-I406 HydrophobicContact CD2-CG2 3.9Å; I384-I406 HydrophobicContact CD1-CG2 3.96Å; V402-I406 HydrophobicContact CG1-CD1 3.83Å; V402-I406 WeakPolarHBondContact O-CD1 3.13Å; V402-I406 VanDerWaalsContact O-CG1 3.26Å; V402-I406 WeakPolarHBondContact O-CG1 3.28Å; V402-I406 PolarHBondContact O-N 3.26Å; Q403-I406 WeakPolarHBondContact O-CB 3.39Å; Q403-I406 PolarHBondContact O-N 3.49Å; I406-Y408 PolarHBondContact O-N 2.83Å; I406-F409 PolarHBondContact O-N 3.42Å; I406-L410 HydrophobicContact CG2-CD1 3.52Å; I406-L410 HydrophobicContact CG2-CG 4.11Å; I406-L410 WeakPolarHBondContact O-CB 3.38Å; I406-L410 WeakPolarHBondContact O-CG 3.32Å; I406-L410 PolarHBondContact O-N 3.5Å
407V97.4Very high90.2Very high21 Ų2148.4 Ų48.413%0.12726%0.262CS..Hα-helixtrans-56.7-51.41741760000110.6I384 V395 I398 Q403 S404 R405 F409 L410 M411I384-V407 HydrophobicContact CD1-CB 4.37Å; I384-V407 HydrophobicContact CD1-CG2 3.47Å; I384-V407 VanDerWaalsContact CD1-CG2 3.47Å; I384-V407 HydrophobicContact CG1-CG2 4Å; V395-V407 HydrophobicContact CG1-CG1 4.41Å; V395-V407 HydrophobicContact CG1-CG2 3.81Å; V395-V407 HydrophobicContact CG2-CG1 3.99Å; V395-V407 HydrophobicContact CG2-CG2 4.39Å; I398-V407 HydrophobicContact CD1-CG2 4.08Å; I398-V407 HydrophobicContact CG1-CG2 3.94Å; I398-V407 HydrophobicContact CG2-CG2 4.37Å; Q403-V407 WeakPolarHBondContact O-CG2 3.44Å; Q403-V407 PolarHBondContact O-N 3Å; S404-V407 PolarHBondContact O-N 3.33Å; R405-V407 VanDerWaalsContact C-N 3.35Å; V407-F409 VanDerWaalsContact C-N 3.34Å; V407-F409 PolarHBondContact O-N 3.34Å; V407-L410 PolarHBondContact O-N 3.32Å; V407-M411 HydrophobicContact CG1-CG 4.36Å; V407-M411 HydrophobicContact CG1-SD 3.76Å; V407-M411 VanDerWaalsContact O-CG 3.29Å; V407-M411 WeakPolarHBondContact O-CG 3.5Å; V407-M411 PolarHBondContact O-N 3.05Å
408Y95.4Very high89.9Confident101 Ų10145.6 Ų45.640%0.39625%0.246SC..Hα-helixtrans-54.6-48.3179.3174.8-118.1000112.1S404 R405 I406 N412 M549S404-Y408 PolarHBondContact O-N 2.72Å; R405-Y408 WeakPolarHBondContact O-CB 3.12Å; R405-Y408 PolarHBondContact O-N 3.31Å; I406-Y408 PolarHBondContact O-N 2.83Å; Y408-N412 PolarHBondContact O-ND2 3.16Å; Y408-M549 HydrophobicContact CD1-CG 4.44Å; Y408-M549 HydrophobicContact CD1-SD 4.36Å; Y408-M549 HydrophobicContact CE1-CG 3.5Å; Y408-M549 HydrophobicContact CE1-SD 3.95Å; Y408-M549 WeakPolarHBondContact OH-CG 3.25Å
409F96.8Very high90Very high0 Ų044.3 Ų44.30%024%0.242CC..Hα-helixtrans-64.7-48.5178.8-179.9-105.8000112.6K223 L224 Y227 R405 I406 V407 M411 N412 I413 M549 Y572K223-F409 HydrophobicContact CB-CE1 4.07Å; K223-F409 HydrophobicContact CB-CZ 4.1Å; L224-F409 HydrophobicContact CB-CD1 4.31Å; L224-F409 HydrophobicContact CB-CE1 4.21Å; L224-F409 HydrophobicContact CD1-CB 4.39Å; L224-F409 HydrophobicContact CD1-CD1 3.57Å; L224-F409 HydrophobicContact CD1-CE1 4.26Å; L224-F409 HydrophobicContact CD1-CG 4.27Å; Y227-F409 VanDerWaalsContact CB-CE2 3.43Å; Y227-F409 HydrophobicContact CD1-CB 3.66Å; Y227-F409 HydrophobicContact CD1-CD1 4.06Å; Y227-F409 AromaticContact CD1-CD2 3.55Å; Y227-F409 HydrophobicContact CD1-CD2 3.55Å; Y227-F409 HydrophobicContact CD1-CE2 4.2Å; Y227-F409 AromaticContact CD1-CG 3.46Å; Y227-F409 HydrophobicContact CD1-CG 3.46Å; Y227-F409 VanDerWaalsContact CD1-CG 3.46Å; Y227-F409 AromaticContact CD2-CD2 3.61Å; Y227-F409 HydrophobicContact CD2-CD2 3.61Å; Y227-F409 AromaticContact CD2-CE2 3.9Å; Y227-F409 HydrophobicContact CD2-CE2 3.9Å; Y227-F409 HydrophobicContact CD2-CG 4.38Å; Y227-F409 HydrophobicContact CE1-CB 3.56Å; Y227-F409 HydrophobicContact CE1-CD2 4.03Å; Y227-F409 AromaticContact CE1-CG 3.89Å; Y227-F409 HydrophobicContact CE1-CG 3.89Å; Y227-F409 HydrophobicContact CE2-CD2 4.09Å; Y227-F409 HydrophobicContact CG-CB 4.33Å; Y227-F409 HydrophobicContact CG-CD1 4.33Å; Y227-F409 AromaticContact CG-CD2 3.31Å; Y227-F409 HydrophobicContact CG-CD2 3.31Å; Y227-F409 AromaticContact CG-CE2 3.57Å; Y227-F409 HydrophobicContact CG-CE2 3.57Å; Y227-F409 AromaticContact CG-CG 3.73Å; Y227-F409 HydrophobicContact CG-CG 3.73Å; Y227-F409 HydrophobicContact CG-CZ 4.16Å; R405-F409 WeakPolarHBondContact O-CB 3.35Å; R405-F409 PolarHBondContact O-N 2.87Å; I406-F409 PolarHBondContact O-N 3.42Å; V407-F409 VanDerWaalsContact C-N 3.34Å; V407-F409 PolarHBondContact O-N 3.34Å; F409-M411 PolarHBondContact O-N 2.86Å; F409-N412 PolarHBondContact O-N 3.27Å; F409-I413 HydrophobicContact CD1-CG2 4.13Å; F409-I413 HydrophobicContact CD2-CG2 4.41Å; F409-I413 HydrophobicContact CE1-CG2 3.59Å; F409-I413 HydrophobicContact CE2-CG2 3.9Å; F409-I413 HydrophobicContact CZ-CG2 3.47Å; F409-I413 VanDerWaalsContact CZ-CG2 3.47Å; F409-I413 PolarHBondContact O-N 3.24Å; F409-M549 HydrophobicContact CD2-CE 3.85Å; F409-M549 HydrophobicContact CD2-SD 3.85Å; F409-M549 HydrophobicContact CE2-CE 4.3Å; F409-Y572 WeakPolarHBondContact CE2-OH 3.46Å
410L95.9Very high90.5Very high1 Ų142.3 Ų42.31%0.00523%0.229CC..Hα-helixtrans-63.1-28.7-176.7-68.4174.8000112.8I220 V322 I384 I386 F393 I406 V407 N412 I413I220-L410 HydrophobicContact CG2-CD2 3.4Å; V322-L410 HydrophobicContact CG1-CD1 3.86Å; V322-L410 HydrophobicContact CG2-CD1 4.2Å; I384-L410 HydrophobicContact CD1-CD1 3.86Å; I384-L410 HydrophobicContact CG2-CD1 4.41Å; I386-L410 HydrophobicContact CD1-CB 4.23Å; I386-L410 HydrophobicContact CD1-CD1 4.18Å; I386-L410 HydrophobicContact CD1-CD2 4.13Å; I386-L410 HydrophobicContact CD1-CG 4.41Å; F393-L410 HydrophobicContact CE1-CB 4.42Å; F393-L410 WeakPolarHBondContact CE1-O 3.35Å; F393-L410 VanDerWaalsContact CZ-O 3.25Å; F393-L410 WeakPolarHBondContact CZ-O 3.47Å; I406-L410 HydrophobicContact CG2-CD1 3.52Å; I406-L410 HydrophobicContact CG2-CG 4.11Å; I406-L410 WeakPolarHBondContact O-CB 3.38Å; I406-L410 WeakPolarHBondContact O-CG 3.32Å; I406-L410 PolarHBondContact O-N 3.5Å; V407-L410 PolarHBondContact O-N 3.32Å; L410-N412 PolarHBondContact O-N 2.9Å; L410-I413 HydrophobicContact CD2-CD1 3.98Å; L410-I413 WeakPolarHBondContact O-CG1 3.39Å
411M94Very high91.2Very high96 Ų9640.7 Ų40.747%0.47321%0.212SC..THydrogen-bonded Turntrans-72-13.5174.5-71.7179.87000114.1F393 V407 F409F393-M411 HydrophobicContact CD1-CG 4.17Å; F393-M411 HydrophobicContact CD2-CG 4.1Å; F393-M411 HydrophobicContact CE1-CG 4.23Å; F393-M411 HydrophobicContact CE2-CB 4.43Å; F393-M411 HydrophobicContact CE2-CG 4.16Å; F393-M411 HydrophobicContact CG-CG 4.11Å; F393-M411 HydrophobicContact CZ-CB 4.43Å; F393-M411 HydrophobicContact CZ-CG 4.25Å; V407-M411 HydrophobicContact CG1-CG 4.36Å; V407-M411 HydrophobicContact CG1-SD 3.76Å; V407-M411 VanDerWaalsContact O-CG 3.29Å; V407-M411 WeakPolarHBondContact O-CG 3.5Å; V407-M411 PolarHBondContact O-N 3.05Å; F409-M411 PolarHBondContact O-N 2.86Å
412N92Very high91.7Very high15 Ų1535 Ų358%0.0819%0.186CC..THydrogen-bonded Turntrans-111.9-4.2-173.8-68.8-49.9000114Y408 F409 L410 M549 E552 R553Y408-N412 PolarHBondContact O-ND2 3.16Å; F409-N412 PolarHBondContact O-N 3.27Å; L410-N412 PolarHBondContact O-N 2.9Å; N412-M549 HydrophobicContact CB-CB 4.35Å; N412-M549 HydrophobicContact CB-SD 4.23Å; N412-E552 CarbonylContact O-C 3.55Å; N412-E552 VanDerWaalsContact O-O 3.06Å; N412-R553 HydrophobicContact CB-CG 3.97Å; N412-R553 WeakPolarHBondContact O-CG 3.42Å; N412-R553 PolarHBondContact O-N 2.69Å; N412-R553 VanDerWaalsContact OD1-CD 3.3Å; N412-R553 WeakPolarHBondContact OD1-CD 3.43Å; N412-R553 PolarHBondContact OD1-NH1 2.62Å
413I89.5Confident92Very high24 Ų2433.9 Ų33.912%0.12318%0.179CC..  trans-86.3138.5178.959.5171.1000112.2I220 K223 F409 L410I220-I413 HydrophobicContact CG1-CD1 4.13Å; I220-I413 HydrophobicContact CG2-CD1 4.49Å; K223-I413 HydrophobicContact CD-CG2 4.24Å; F409-I413 HydrophobicContact CD1-CG2 4.13Å; F409-I413 HydrophobicContact CD2-CG2 4.41Å; F409-I413 HydrophobicContact CE1-CG2 3.59Å; F409-I413 HydrophobicContact CE2-CG2 3.9Å; F409-I413 HydrophobicContact CZ-CG2 3.47Å; F409-I413 VanDerWaalsContact CZ-CG2 3.47Å; F409-I413 PolarHBondContact O-N 3.24Å; L410-I413 HydrophobicContact CD2-CD1 3.98Å; L410-I413 WeakPolarHBondContact O-CG1 3.39Å
414H81.5Confident92.2Very high25 Ų2534.2 Ų34.212%0.11618%0.18CC..  trans-124.6168.1166.776.980.6000113.1Y219 K223 L416 R418 E552 R553 Q554Y219-H414 PolarHBondContact OH-O 3.5Å; K223-H414 PolarHBondContact NZ-O 3.15Å; H414-L416 PolarHBondContact CE1-O 3.44Å; H414-L416 VanDerWaalsContact CE1-O 3.26Å; H414-L416 PolarHBondContact ND1-N 2.96Å; H414-L416 PolarHBondContact ND1-O 3.49Å; H414-R418 PolarHBondContact CE1-NH1 2.9Å; H414-R418 VanDerWaalsContact NE2-CZ 3.35Å; H414-R418 PolarHBondContact NE2-NH1 2.94Å; H414-E552 PolarHBondContact CD2-O 3.4Å; H414-E552 PolarHBondContact N-O 3.05Å; H414-E552 PolarHBondContact NE2-O 3.4Å; H414-R553 PolarHBondContact CD2-O 3.4Å; H414-R553 VanDerWaalsContact CD2-O 3.29Å; H414-Q554 PolarHBondContact NE2-O 3.41Å; H414-Q554 VanDerWaalsContact NE2-O 3.13Å
415I76.1Confident92.4Very high74 Ų7431.3 Ų31.338%0.37916%0.16SC..  trans-107.1-10.7179.266.1165000115.1Y219 I331 V389Y219-I415 HydrophobicContact CD1-CG2 4.5Å; Y219-I415 HydrophobicContact CE1-CG2 3.97Å; I331-I415 HydrophobicContact CG2-CD1 4.29Å; V389-I415 HydrophobicContact CB-CD1 4.33Å; V389-I415 HydrophobicContact CG1-CB 4.18Å; V389-I415 HydrophobicContact CG1-CD1 3.66Å; V389-I415 HydrophobicContact CG1-CG1 3.69Å; V389-I415 HydrophobicContact CG1-CG2 3.49Å; V389-I415 VanDerWaalsContact CG1-CG2 3.49Å; V389-I415 HydrophobicContact CG2-CD1 4.11Å
416L76.3Confident92.6Very high92 Ų9229.1 Ų29.148%0.48215%0.152SC..  trans-53.6133.3-179.2-61174.6000111.9H414 R418 E555H414-L416 PolarHBondContact CE1-O 3.44Å; H414-L416 VanDerWaalsContact CE1-O 3.26Å; H414-L416 PolarHBondContact ND1-N 2.96Å; H414-L416 PolarHBondContact ND1-O 3.49Å; L416-R418 PolarHBondContact O-N 3.41Å; L416-E555 HydrophobicContact CD1-CG 4.44Å
417P80.9Confident92.7Very high120 Ų12029.2 Ų29.278%0.77915%0.152SC*.  trans-57.2135.2170.1-22.433000110.7
418R89.5Confident92.8Very high12 Ų1228.3 Ų28.35%0.04515%0.147CC..  trans-155.8163.7-17966.1176.6-176.1-72.112112.5H414 L416 L551 E552 Q554 E555 P596H414-R418 PolarHBondContact CE1-NH1 2.9Å; H414-R418 VanDerWaalsContact NE2-CZ 3.35Å; H414-R418 PolarHBondContact NE2-NH1 2.94Å; L416-R418 PolarHBondContact O-N 3.41Å; R418-L551 PolarHBondContact NE-O 3.13Å; R418-L551 PolarHBondContact NH2-O 3.28Å; R418-E552 IonicContact NH2-OE2 3.94Å; R418-E552 PolarHBondContact NH2-OE2 2.94Å; R418-Q554 WeakPolarHBondContact CD-O 3.18Å; R418-Q554 PolarHBondContact NE-O 2.78Å; R418-E555 HydrophobicContact CB-CB 4.29Å; R418-P596 HydrophobicContact CG-CG 4.28Å; R418-P596 WeakPolarHBondContact O-CD 3.41Å
419S94.2Very high92.9Very high19 Ų1925.8 Ų25.813%0.13314%0.139CC..  trans-113.6128.3166.3-65.10000110.8F421 N556 V557 K593 L594S419-F421 VanDerWaalsContact CB-CE2 3.42Å; S419-N556 PolarHBondContact N-OD1 2.99Å; S419-N556 VanDerWaalsContact N-OD1 3.14Å; S419-N556 WeakPolarHBondContact O-CA 3.46Å; S419-V557 PolarHBondContact O-N 2.73Å; S419-K593 VanDerWaalsContact OG-CE 3.32Å; S419-K593 WeakPolarHBondContact OG-CE 3.44Å; S419-L594 WeakPolarHBondContact CA-O 3.39Å
420I96.6Very high93Very high0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-103.8122.2168.4-61.5168.8000107.1L422 L551 F573 L594I420-L422 HydrophobicContact CG2-CD2 3.88Å; I420-L422 HydrophobicContact CG2-CG 4.38Å; I420-L551 HydrophobicContact CD1-CB 4.27Å; I420-L551 HydrophobicContact CG2-CD2 4.11Å; I420-F573 HydrophobicContact CD1-CD1 4.3Å; I420-F573 HydrophobicContact CD1-CE1 3.47Å; I420-F573 VanDerWaalsContact CD1-CE1 3.47Å; I420-F573 HydrophobicContact CD1-CE2 3.96Å; I420-F573 HydrophobicContact CD1-CZ 3.29Å; I420-L594 HydrophobicContact CB-CB 4.2Å; I420-L594 PolarHBondContact N-O 2.87Å; I420-L594 WeakPolarHBondContact O-CA 3.25Å; I420-L594 WeakPolarHBondContact O-CB 3.21Å; I420-L594 PolarHBondContact O-N 2.89Å
421F98.5Very high93.1Very high1 Ų129.2 Ų29.20%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-103.6129177.8-55.5-93.9000108.7S419 F457 V462 L465 V557 L558 V559 V591 V592 K593S419-F421 VanDerWaalsContact CB-CE2 3.42Å; F421-F457 HydrophobicContact CB-CZ 4.1Å; F421-F457 AromaticContact CD1-CE1 3.95Å; F421-F457 HydrophobicContact CD1-CE1 3.95Å; F421-F457 AromaticContact CD1-CZ 3.91Å; F421-F457 HydrophobicContact CD1-CZ 3.91Å; F421-F457 HydrophobicContact CD2-CE1 4.17Å; F421-F457 HydrophobicContact CE1-CE1 4.08Å; F421-F457 HydrophobicContact CE1-CZ 4.44Å; F421-F457 HydrophobicContact CE2-CE1 4.32Å; F421-F457 AromaticContact CG-CE1 3.99Å; F421-F457 HydrophobicContact CG-CE1 3.99Å; F421-F457 AromaticContact CG-CZ 3.94Å; F421-F457 HydrophobicContact CG-CZ 3.94Å; F421-F457 HydrophobicContact CZ-CE1 4.26Å; F421-V462 HydrophobicContact CE2-CG1 4.1Å; F421-V462 HydrophobicContact CE2-CG2 4.32Å; F421-V462 HydrophobicContact CZ-CG2 4.06Å; F421-L465 HydrophobicContact CD2-CD1 4.43Å; F421-V557 PolarHBondContact N-O 3.32Å; F421-L558 HydrophobicContact CB-CB 4.13Å; F421-L558 HydrophobicContact CB-CD1 3.54Å; F421-L558 HydrophobicContact CB-CG 4.43Å; F421-L558 CarbonylContact O-C 3.52Å; F421-L558 WeakPolarHBondContact O-CA 3.45Å; F421-V559 PolarHBondContact O-N 2.88Å; F421-V591 HydrophobicContact CB-CG1 4.08Å; F421-V591 HydrophobicContact CD1-CG1 3.91Å; F421-V591 HydrophobicContact CG-CG1 4.49Å; F421-V592 CarbonylContact C-O 3.3Å; F421-V592 WeakPolarHBondContact CA-O 3.44Å; F421-K593 HydrophobicContact CD1-CB 4.01Å; F421-K593 HydrophobicContact CD1-CD 4.48Å; F421-K593 HydrophobicContact CD1-CG 3.97Å; F421-K593 HydrophobicContact CE1-CB 4.09Å; F421-K593 HydrophobicContact CE1-CD 3.72Å; F421-K593 HydrophobicContact CE1-CG 3.63Å; F421-K593 HydrophobicContact CZ-CD 4.33Å; F421-K593 HydrophobicContact CZ-CG 4.32Å
422L98.7Very high93.2Very high2 Ų231.4 Ų31.41%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-117.4132.3175.3-54.3-178.6000108.6I420 V559 L566 L569 L570 V592 L594I420-L422 HydrophobicContact CG2-CD2 3.88Å; I420-L422 HydrophobicContact CG2-CG 4.38Å; L422-V559 HydrophobicContact CD2-CB 3.77Å; L422-V559 HydrophobicContact CD2-CG2 3.9Å; L422-L566 HydrophobicContact CB-CD2 4.05Å; L422-L566 HydrophobicContact CD2-CD2 4.28Å; L422-L569 HydrophobicContact CD1-CB 4.19Å; L422-L569 HydrophobicContact CD2-CD1 4.14Å; L422-L570 HydrophobicContact CD1-CB 4.48Å; L422-L570 HydrophobicContact CD1-CD1 4.39Å; L422-V592 HydrophobicContact CB-CB 4.2Å; L422-V592 PolarHBondContact N-O 3.46Å; L422-V592 PolarHBondContact O-N 3.5Å; L422-L594 HydrophobicContact CD1-CD1 3.62Å; L422-L594 HydrophobicContact CG-CD1 4.08Å
423T98.8Very high93.4Very high1 Ų135.3 Ų35.31%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-146.5147.1171.1-165.80000111.8Y449 L453 L558 V559 V560 A561 L566 T590T423-Y449 PolarHBondContact OG1-OH 2.82Å; T423-L453 HydrophobicContact CG2-CD2 4.15Å; T423-L558 HydrophobicContact CG2-CD1 3.88Å; T423-V559 PolarHBondContact N-O 3.47Å; T423-V559 VanDerWaalsContact O-O 3.06Å; T423-V560 HydrophobicContact CG2-CG2 4.01Å; T423-V560 WeakPolarHBondContact O-CA 3.42Å; T423-A561 PolarHBondContact O-N 3.34Å; T423-L566 VanDerWaalsContact O-CD1 3.3Å; T423-L566 WeakPolarHBondContact O-CD1 3.48Å; T423-T590 PolarHBondContact OG1-O 2.77Å
424R98.7Very high93.7Very high6 Ų635.8 Ų35.82%0.02319%0.187CC..EExtended strand (participates in β ladder)trans-69.8154.4166.3-68.6174.663.9170.92108.2A561 L566 V586 L588 T615R424-A561 CarbonylContact C-O 3.59Å; R424-A561 WeakPolarHBondContact CA-O 3.38Å; R424-L566 HydrophobicContact CB-CD1 4.38Å; R424-L566 HydrophobicContact CG-CD1 3.64Å; R424-V586 WeakPolarHBondContact CD-O 3.2Å; R424-V586 HydrophobicContact CG-CG1 3.89Å; R424-V586 PolarHBondContact NH1-O 3.31Å; R424-L588 HydrophobicContact CB-CD2 3.92Å; R424-T615 PolarHBondContact NH1-OG1 3.08Å; R424-T615 PolarHBondContact NH2-OG1 3.04Å
425H98.7Very high94.5Very high2 Ų237.8 Ų37.81%0.00919%0.194CC..PPolyproline II helixtrans-49157.6158.65773.2000111.2N431 R474 A475 T478 V560 A561 H562 L588H425-N431 PolarHBondContact CE1-OD1 3.21Å; H425-R474 HydrophobicContact CB-CB 4.27Å; H425-R474 HydrophobicContact CB-CG 4.24Å; H425-R474 WeakPolarHBondContact CE1-CD 3.43Å; H425-R474 PolarHBondContact CE1-NE 3.43Å; H425-R474 WeakPolarHBondContact NE2-CD 3.31Å; H425-R474 PolarHBondContact NE2-NE 2.65Å; H425-A475 HydrophobicContact CB-CB 4.09Å; H425-T478 WeakPolarHBondContact CA-OG1 3.41Å; H425-V560 HydrophobicContact CB-CG1 4.47Å; H425-A561 PolarHBondContact CD2-O 3.45Å; H425-A561 PolarHBondContact N-O 3.48Å; H425-H562 AromaticContact CD2-CE1 3.49Å; H425-H562 PolarHBondContact CD2-CE1 3.06Å; H425-H562 VanDerWaalsContact CD2-CE1 3.49Å; H425-H562 AromaticContact CD2-CG 3.93Å; H425-H562 AromaticContact CD2-ND1 2.98Å; H425-H562 PolarHBondContact CD2-ND1 3Å; H425-H562 AromaticContact NE2-CE1 3.8Å; H425-H562 AromaticContact NE2-CG 4Å; H425-H562 AromaticContact NE2-ND1 2.99Å; H425-H562 PolarHBondContact NE2-ND1 3.47Å; H425-L588 VanDerWaalsContact O-CD2 3.32Å; H425-L588 WeakPolarHBondContact O-CD2 3.32Å
426G98.7Very high95.3Very high0 Ų035.2 Ų35.20%018%0.181CC..SBendtrans-54.5161.1168.600000112.1S428 L442 Y449 T478G426-S428 PolarHBondContact O-N 3.47Å; G426-L442 VanDerWaalsContact C-CD2 3.46Å; G426-L442 WeakPolarHBondContact O-CD2 3.46Å; G426-Y449 VanDerWaalsContact CA-CD1 3.49Å; G426-T478 PolarHBondContact N-OG1 3.4Å
427E98.7Very high96.2Very high2 Ų231.8 Ų31.81%0.00917%0.167CC..PPolyproline II helixtrans-48.9126.7175.3-175.8-171.6-104.400110.1N431 S443 G446 L588 H589 A612 V613E427-N431 HydrophobicContact CG-CB 4.17Å; E427-S443 PolarHBondContact O-N 2.89Å; E427-S443 PolarHBondContact O-OG 2.85Å; E427-S443 PolarHBondContact OE2-OG 2.83Å; E427-G446 WeakPolarHBondContact O-CA 3.34Å; E427-L588 HydrophobicContact CB-CD1 4.3Å; E427-L588 HydrophobicContact CG-CD1 4.38Å; E427-H589 WeakPolarHBondContact CB-NE2 3.43Å; E427-H589 PolarHBondContact N-NE2 3Å; E427-A612 HydrophobicContact CB-CB 4.44Å; E427-A612 WeakPolarHBondContact OE1-CA 3.4Å; E427-V613 HydrophobicContact CG-CG2 4.35Å; E427-V613 PolarHBondContact OE1-N 3.33Å
428S98.7Very high96.8Very high1 Ų126.7 Ų26.71%0.00714%0.136CC..BIsolated β-bridgetrans-100162.3177.267.80000111.8G426 F430 N431 R432 S440 P441G426-S428 PolarHBondContact O-N 3.47Å; S428-F430 PolarHBondContact O-N 3.42Å; S428-N431 WeakPolarHBondContact CB-OD1 3.23Å; S428-N431 PolarHBondContact N-OD1 3.47Å; S428-N431 WeakPolarHBondContact O-CB 3.32Å; S428-N431 PolarHBondContact O-N 3.41Å; S428-N431 PolarHBondContact OG-N 3.07Å; S428-N431 PolarHBondContact OG-OD1 2.85Å; S428-R432 PolarHBondContact O-N 2.81Å; S428-S440 WeakPolarHBondContact CB-OG 3.49Å; S428-P441 WeakPolarHBondContact CA-O 3.14Å; S428-P441 WeakPolarHBondContact CB-O 3.41Å
429E98.5Very high97.1Very high48 Ų4829.5 Ų29.522%0.22415%0.152CC..Hα-helixtrans-55.7-39.1174.6-69.9-64.7129.500111.5N431 R432 M433 P441 S443E429-N431 PolarHBondContact O-N 3.47Å; E429-R432 VanDerWaalsContact CD-NH1 3.29Å; E429-R432 PolarHBondContact O-N 3.48Å; E429-R432 IonicContact OE1-CZ 3.08Å; E429-R432 IonicContact OE1-NH1 2.68Å; E429-R432 PolarHBondContact OE1-NH1 2.95Å; E429-R432 IonicContact OE2-CZ 3.44Å; E429-R432 IonicContact OE2-NH1 2.84Å; E429-R432 PolarHBondContact OE2-NH1 3.37Å; E429-R432 IonicContact OE2-NH2 2.95Å; E429-R432 PolarHBondContact OE2-NH2 3.48Å; E429-M433 VanDerWaalsContact O-CG 3.23Å; E429-M433 WeakPolarHBondContact O-CG 3.48Å; E429-M433 PolarHBondContact O-N 2.93Å; E429-P441 HydrophobicContact CG-CG 4.39Å; E429-P441 PolarHBondContact N-O 2.78Å; E429-S443 VanDerWaalsContact OE1-CA 3.24Å; E429-S443 WeakPolarHBondContact OE1-CA 3.09Å; E429-S443 WeakPolarHBondContact OE1-CB 3.44Å
430F98Very high97.3Very high53 Ų5328.9 Ų28.923%0.23215%0.148CC..Hα-helixtrans-69.9-30.5175.8-81.818.6000113.4S428 M433 G434 R435 S440S428-F430 PolarHBondContact O-N 3.42Å; F430-M433 HydrophobicContact CD1-SD 4.31Å; F430-M433 CarbonylContact O-C 3.59Å; F430-M433 PolarHBondContact O-N 2.98Å; F430-G434 PolarHBondContact O-N 2.82Å; F430-R435 HydrophobicContact CB-CB 4.08Å; F430-R435 HydrophobicContact CD2-CB 4.02Å; F430-R435 HydrophobicContact CG-CB 3.99Å; F430-R435 PolarHBondContact O-N 3.45Å; F430-S440 WeakPolarHBondContact CB-OG 3.4Å; F430-S440 VanDerWaalsContact CD1-CB 3.46Å; F430-S440 PolarHBondContact N-OG 2.85Å
431N97.8Very high97.4Very high21 Ų2131.8 Ų31.811%0.11217%0.167CC..Hα-helixtrans-63.9-47.5170.4-59.1131.4000110.5H425 E427 S428 E429 M433 G434 L588 V613 T615H425-N431 PolarHBondContact CE1-OD1 3.21Å; E427-N431 HydrophobicContact CG-CB 4.17Å; S428-N431 WeakPolarHBondContact CB-OD1 3.23Å; S428-N431 PolarHBondContact N-OD1 3.47Å; S428-N431 WeakPolarHBondContact O-CB 3.32Å; S428-N431 PolarHBondContact O-N 3.41Å; S428-N431 PolarHBondContact OG-N 3.07Å; S428-N431 PolarHBondContact OG-OD1 2.85Å; E429-N431 PolarHBondContact O-N 3.47Å; N431-M433 PolarHBondContact O-N 2.96Å; N431-G434 PolarHBondContact O-N 3.05Å; N431-L588 HydrophobicContact CB-CD1 4.29Å; N431-V613 HydrophobicContact CB-CG2 3.84Å; N431-T615 HydrophobicContact CB-CG2 4.43Å
432R97Very high97.4Very high141 Ų14132.2 Ų32.253%0.53217%0.169SC..Hα-helixtrans-58.1-36.3177.7-164.4-177.878.1-137-7.6112S428 E429 G434S428-R432 PolarHBondContact O-N 2.81Å; E429-R432 VanDerWaalsContact CD-NH1 3.29Å; E429-R432 PolarHBondContact O-N 3.48Å; E429-R432 IonicContact OE1-CZ 3.08Å; E429-R432 IonicContact OE1-NH1 2.68Å; E429-R432 PolarHBondContact OE1-NH1 2.95Å; E429-R432 IonicContact OE2-CZ 3.44Å; E429-R432 IonicContact OE2-NH1 2.84Å; E429-R432 PolarHBondContact OE2-NH1 3.37Å; E429-R432 IonicContact OE2-NH2 2.95Å; E429-R432 PolarHBondContact OE2-NH2 3.48Å; R432-G434 VanDerWaalsContact C-N 3.35Å
433M96.8Very high97.4Very high98 Ų9832.2 Ų32.248%0.48317%0.169SC..THydrogen-bonded Turntrans-83-5.7177.3-63.3172.478.700114.2E429 F430 N431 R435E429-M433 VanDerWaalsContact O-CG 3.23Å; E429-M433 WeakPolarHBondContact O-CG 3.48Å; E429-M433 PolarHBondContact O-N 2.93Å; F430-M433 HydrophobicContact CD1-SD 4.31Å; F430-M433 CarbonylContact O-C 3.59Å; F430-M433 PolarHBondContact O-N 2.98Å; N431-M433 PolarHBondContact O-N 2.96Å; M433-R435 VanDerWaalsContact C-N 3.31Å; M433-R435 HydrophobicContact CB-CG 4.13Å; M433-R435 PolarHBondContact O-N 2.86Å
434G95.5Very high97.4Very high33 Ų3340.2 Ų40.234%0.3421%0.207SC..THydrogen-bonded Turntrans67.624.5-176.500000114.8F430 N431 R432 T507F430-G434 PolarHBondContact O-N 2.82Å; N431-G434 PolarHBondContact O-N 3.05Å; R432-G434 VanDerWaalsContact C-N 3.35Å; G434-T507 WeakPolarHBondContact O-CA 3.4Å
435R97.2Very high97.4Very high67 Ų6745.2 Ų45.225%0.25323%0.226SC..BIsolated β-bridgetrans-89.5143.2-179.5-69.6-178.2175.6-65.8-10.5111.8F430 M433 G505 L506 T507 E510F430-R435 HydrophobicContact CB-CB 4.08Å; F430-R435 HydrophobicContact CD2-CB 4.02Å; F430-R435 HydrophobicContact CG-CB 3.99Å; F430-R435 PolarHBondContact O-N 3.45Å; M433-R435 VanDerWaalsContact C-N 3.31Å; M433-R435 HydrophobicContact CB-CG 4.13Å; M433-R435 PolarHBondContact O-N 2.86Å; R435-G505 WeakPolarHBondContact CD-O 3.07Å; R435-G505 WeakPolarHBondContact CG-O 3.49Å; R435-G505 PolarHBondContact NH1-O 2.97Å; R435-L506 CarbonylContact C-O 3.58Å; R435-L506 WeakPolarHBondContact CA-O 3.27Å; R435-T507 HydrophobicContact CG-CG2 3.76Å; R435-E510 IonicContact CZ-OE1 3.44Å; R435-E510 IonicContact CZ-OE2 3.07Å; R435-E510 IonicContact NH1-OE1 3.21Å; R435-E510 PolarHBondContact NH1-OE1 3.33Å; R435-E510 IonicContact NH1-OE2 3.29Å; R435-E510 PolarHBondContact NH1-OE2 2.53Å; R435-E510 IonicContact NH2-OE1 2.81Å; R435-E510 PolarHBondContact NH2-OE1 2.87Å; R435-E510 VanDerWaalsContact NH2-OE1 3.11Å; R435-E510 IonicContact NH2-OE2 3.39Å
436L93.8Very high97.4Very high21 Ų2145.1 Ų45.111%0.1123%0.225CC..  trans-79.6143.5177.9-65.4174.3000111.4G438 A500 C503 G505 L506 Y508 V511L436-G438 PolarHBondContact O-N 3.41Å; L436-A500 HydrophobicContact CB-CB 4.49Å; L436-C503 HydrophobicContact CD1-CB 4.39Å; L436-G505 WeakPolarHBondContact O-CA 3.29Å; L436-G505 PolarHBondContact O-N 2.89Å; L436-L506 WeakPolarHBondContact CB-O 3.49Å; L436-L506 WeakPolarHBondContact CG-O 3.49Å; L436-L506 PolarHBondContact N-O 3.01Å; L436-Y508 HydrophobicContact CD1-CD1 4.46Å; L436-Y508 HydrophobicContact CD1-CE1 4.36Å; L436-Y508 HydrophobicContact CD2-CE1 3.87Å; L436-Y508 HydrophobicContact CD2-CE2 3.98Å; L436-V511 HydrophobicContact CD1-CG2 3.89Å
437G94.2Very high97.4Very high19 Ų1948.8 Ų48.820%0.19624%0.244CC..SBendtrans59.2-13317200000114E504G437-E504 WeakPolarHBondContact CA-OE2 3.21Å
438G93.6Very high97.4Very high13 Ų1352 Ų5213%0.13426%0.261CS..  trans75.7-171.8176.700000113.7L436 R474 E504L436-G438 PolarHBondContact O-N 3.41Å; G438-R474 PolarHBondContact O-NH1 2.84Å; G438-R474 PolarHBondContact O-NH2 2.59Å; G438-E504 WeakPolarHBondContact CA-OE2 3.34Å; G438-E504 PolarHBondContact N-OE2 3.13Å
439D97.2Very high97.4Very high71 Ų7152 Ų5238%0.3826%0.261SS..  trans-135.342.7177.8-157.615.6000112.7K472 I473D439-K472 HydrophobicContact CB-CD 4.11Å; D439-K472 WeakPolarHBondContact OD1-CA 3.01Å; D439-K472 VanDerWaalsContact OD1-CB 3.31Å; D439-K472 WeakPolarHBondContact OD1-CB 3.22Å; D439-K472 WeakPolarHBondContact OD1-CD 3.35Å; D439-I473 PolarHBondContact OD1-N 2.89Å
440S97.8Very high97.4Very high7 Ų749.7 Ų49.75%0.04925%0.25CS..PPolyproline II helixtrans-69.9154.7179.871.10000112.3S428 F430 R474S428-S440 WeakPolarHBondContact CB-OG 3.49Å; F430-S440 WeakPolarHBondContact CB-OG 3.4Å; F430-S440 VanDerWaalsContact CD1-CB 3.46Å; F430-S440 PolarHBondContact N-OG 2.85Å; S440-R474 WeakPolarHBondContact O-CB 3.47Å
441P98.5Very high97.4Very high60 Ų6053 Ų5339%0.3926%0.264SS..PPolyproline II helixtrans-70.7172.9169.632.4-36.8000112.5S428 E429 I473S428-P441 WeakPolarHBondContact CA-O 3.14Å; S428-P441 WeakPolarHBondContact CB-O 3.41Å; E429-P441 HydrophobicContact CG-CG 4.39Å; E429-P441 PolarHBondContact N-O 2.78Å; P441-I473 HydrophobicContact CB-CG2 4.14Å
442L98.8Very high97.5Very high10 Ų1056.8 Ų56.85%0.05228%0.277CS..BIsolated β-bridgetrans-63.2147.4169.6-68.3179.4000112.1G426 L447 A450 R474 Q477G426-L442 VanDerWaalsContact C-CD2 3.46Å; G426-L442 WeakPolarHBondContact O-CD2 3.46Å; L442-L447 HydrophobicContact CB-CD2 4.24Å; L442-L447 HydrophobicContact CB-CG 4.03Å; L442-L447 HydrophobicContact CD1-CD2 3.97Å; L442-L447 HydrophobicContact CD1-CG 4.4Å; L442-A450 HydrophobicContact CD1-CB 4.33Å; L442-R474 HydrophobicContact CD2-CB 3.92Å; L442-R474 WeakPolarHBondContact CD2-O 3.37Å; L442-R474 HydrophobicContact CG-CB 4.41Å; L442-Q477 HydrophobicContact CD1-CB 3.62Å; L442-Q477 HydrophobicContact CG-CB 3.96Å
443S98.7Very high97.5Very high2 Ų250 Ų501%0.01425%0.252CS..PPolyproline II helixtrans-76.1172.9164.482.90000110.7E427 E429 R445 G446 L447E427-S443 PolarHBondContact O-N 2.89Å; E427-S443 PolarHBondContact O-OG 2.85Å; E427-S443 PolarHBondContact OE2-OG 2.83Å; E429-S443 VanDerWaalsContact OE1-CA 3.24Å; E429-S443 WeakPolarHBondContact OE1-CA 3.09Å; E429-S443 WeakPolarHBondContact OE1-CB 3.44Å; S443-R445 VanDerWaalsContact C-N 3.27Å; S443-R445 PolarHBondContact O-N 2.75Å; S443-R445 PolarHBondContact OG-N 3.19Å; S443-G446 PolarHBondContact O-N 3.44Å; S443-G446 VanDerWaalsContact O-N 3.15Å; S443-G446 PolarHBondContact OG-N 2.85Å; S443-G446 VanDerWaalsContact OG-N 3.13Å; S443-L447 PolarHBondContact O-N 2.81Å
444Q98.5Very high97.6Very high170 Ų17045.7 Ų45.779%0.79423%0.231SC*.Hα-helixtrans-58.4-39.8172.8-68.5-177-2.600112.4L447 L448Q444-L447 PolarHBondContact O-N 3.46Å; Q444-L448 PolarHBondContact O-N 3.13Å
445R98.6Very high97.7Very high111 Ų11148.6 Ų48.642%0.41924%0.239SC..Hα-helixtrans-67.7-38.9175.3-70.5174.3169.2174.7-2.8111.1S443 L447 L448 Y449 V610 E611S443-R445 VanDerWaalsContact C-N 3.27Å; S443-R445 PolarHBondContact O-N 2.75Å; S443-R445 PolarHBondContact OG-N 3.19Å; R445-L447 PolarHBondContact O-N 2.87Å; R445-L448 PolarHBondContact O-N 3.41Å; R445-Y449 PolarHBondContact O-N 3.41Å; R445-V610 HydrophobicContact CB-CG1 4.31Å; R445-V610 WeakPolarHBondContact O-CG1 3.29Å; R445-E611 WeakPolarHBondContact CD-O 3.46Å; R445-E611 IonicContact CZ-OE2 2.93Å; R445-E611 VanDerWaalsContact CZ-OE2 3.29Å; R445-E611 IonicContact NE-OE2 3.65Å; R445-E611 IonicContact NH1-OE2 2.85Å; R445-E611 IonicContact NH2-OE2 3.04Å; R445-E611 PolarHBondContact NH2-OE2 3.05Å
446G98.8Very high97.8Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-61.9-40.7173.600000113.6E427 S443 Y449 A450E427-G446 WeakPolarHBondContact O-CA 3.34Å; S443-G446 PolarHBondContact O-N 3.44Å; S443-G446 VanDerWaalsContact O-N 3.15Å; S443-G446 PolarHBondContact OG-N 2.85Å; S443-G446 VanDerWaalsContact OG-N 3.13Å; G446-Y449 PolarHBondContact O-N 3.5Å; G446-A450 PolarHBondContact O-N 2.82Å
447L98.7Very high98Very high77 Ų7746.7 Ų46.740%0.40323%0.231SC..Hα-helixtrans-65.2-39.9173.7-73.3169.4000112.1L442 S443 Q444 R445 A450 K451L442-L447 HydrophobicContact CB-CD2 4.24Å; L442-L447 HydrophobicContact CB-CG 4.03Å; L442-L447 HydrophobicContact CD1-CD2 3.97Å; L442-L447 HydrophobicContact CD1-CG 4.4Å; S443-L447 PolarHBondContact O-N 2.81Å; Q444-L447 PolarHBondContact O-N 3.46Å; R445-L447 PolarHBondContact O-N 2.87Å; L447-A450 PolarHBondContact O-N 3.49Å; L447-K451 WeakPolarHBondContact O-CG 3.43Å; L447-K451 PolarHBondContact O-N 2.91Å; L447-K451 VanDerWaalsContact O-N 3.12Å
448L98.6Very high98.1Very high69 Ų6950 Ų5036%0.36124%0.241SC..Hα-helixtrans-63-44.2174.4179.859.2000111.1Q444 R445 K451 R452 V610Q444-L448 PolarHBondContact O-N 3.13Å; R445-L448 PolarHBondContact O-N 3.41Å; L448-K451 PolarHBondContact O-N 3.15Å; L448-R452 HydrophobicContact CD1-CG 4.42Å; L448-R452 VanDerWaalsContact O-CG 3.31Å; L448-R452 WeakPolarHBondContact O-CG 3.26Å; L448-R452 PolarHBondContact O-N 2.8Å; L448-V610 HydrophobicContact CB-CG1 4.25Å; L448-V610 HydrophobicContact CD2-CG1 4.11Å; L448-V610 HydrophobicContact CD2-CG2 4.22Å; L448-V610 HydrophobicContact CG-CG1 4.19Å; L448-V610 HydrophobicContact CG-CG2 3.97Å
449Y98.8Very high98.3Very high0 Ų052.2 Ų52.20%026%0.263CS..Hα-helixtrans-58.4-47.9174169.6-108.3000112.1T423 G426 R445 G446 K451 R452 L453 T478 H589 F608T423-Y449 PolarHBondContact OG1-OH 2.82Å; G426-Y449 VanDerWaalsContact CA-CD1 3.49Å; R445-Y449 PolarHBondContact O-N 3.41Å; G446-Y449 PolarHBondContact O-N 3.5Å; Y449-K451 VanDerWaalsContact C-N 3.26Å; Y449-K451 PolarHBondContact O-N 3.4Å; Y449-R452 PolarHBondContact O-N 2.96Å; Y449-R452 VanDerWaalsContact O-N 3.12Å; Y449-L453 HydrophobicContact CE1-CD2 4.12Å; Y449-L453 HydrophobicContact CE2-CB 4.42Å; Y449-L453 HydrophobicContact CE2-CD1 4.43Å; Y449-L453 WeakPolarHBondContact O-CB 3.01Å; Y449-L453 PolarHBondContact O-N 2.9Å; Y449-L453 WeakPolarHBondContact OH-CD1 3.43Å; Y449-T478 HydrophobicContact CE1-CG2 4.36Å; Y449-H589 WeakPolarHBondContact CB-CD2 3.47Å; Y449-H589 WeakPolarHBondContact CB-NE2 3.38Å; Y449-H589 AromaticContact CD1-CD2 3.53Å; Y449-H589 VanDerWaalsContact CD2-CA 3.48Å; Y449-H589 HydrophobicContact CD2-CB 3.53Å; Y449-H589 AromaticContact CD2-CD2 3.83Å; Y449-H589 AromaticContact CD2-CG 3.73Å; Y449-H589 HydrophobicContact CE2-CB 3.96Å; Y449-H589 HydrophobicContact CG-CB 3.94Å; Y449-H589 AromaticContact CG-CD2 3.24Å; Y449-H589 AromaticContact CG-CG 3.59Å; Y449-H589 AromaticContact CG-NE2 3.89Å; Y449-F608 HydrophobicContact CD2-CB 3.98Å; Y449-F608 HydrophobicContact CD2-CD1 4.48Å; Y449-F608 HydrophobicContact CD2-CD2 4.38Å; Y449-F608 HydrophobicContact CD2-CG 4.03Å; Y449-F608 HydrophobicContact CE2-CB 4.07Å; Y449-F608 HydrophobicContact CE2-CD1 4.27Å; Y449-F608 AromaticContact CE2-CD2 3.61Å; Y449-F608 HydrophobicContact CE2-CD2 3.61Å; Y449-F608 HydrophobicContact CE2-CE2 4.12Å; Y449-F608 AromaticContact CE2-CG 3.7Å; Y449-F608 HydrophobicContact CE2-CG 3.7Å
450A98.7Very high98.2Very high0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-59-36.6179.700000112.7L442 G446 L447 S454 T478 L481L442-A450 HydrophobicContact CD1-CB 4.33Å; G446-A450 PolarHBondContact O-N 2.82Å; L447-A450 PolarHBondContact O-N 3.49Å; A450-S454 PolarHBondContact O-N 3.1Å; A450-T478 HydrophobicContact CB-CG2 4.11Å; A450-L481 HydrophobicContact CB-CD1 3.78Å
451K98.5Very high98Very high122 Ų12260.6 Ų60.653%0.5330%0.299SS..Hα-helixtrans-63.9-51.8172.1-70.4175.4-178.7-177.70111.6L447 L448 Y449 L453 S454 D455 L481L447-K451 WeakPolarHBondContact O-CG 3.43Å; L447-K451 PolarHBondContact O-N 2.91Å; L447-K451 VanDerWaalsContact O-N 3.12Å; L448-K451 PolarHBondContact O-N 3.15Å; Y449-K451 VanDerWaalsContact C-N 3.26Å; Y449-K451 PolarHBondContact O-N 3.4Å; K451-L453 VanDerWaalsContact C-N 3.25Å; K451-L453 PolarHBondContact O-N 2.91Å; K451-S454 WeakPolarHBondContact O-CA 3.46Å; K451-S454 WeakPolarHBondContact O-CB 3.48Å; K451-S454 PolarHBondContact O-N 3.31Å; K451-D455 PolarHBondContact O-N 2.95Å; K451-L481 HydrophobicContact CG-CD1 3.67Å
452R98.5Very high97.9Very high101 Ų10158.8 Ų58.838%0.38129%0.287SS..Hα-helixtrans-61.7-34.7-180-62.7-70.8179.668.7-0.5112.5L448 Y449 D455 Y456 F608 D609 V610L448-R452 HydrophobicContact CD1-CG 4.42Å; L448-R452 VanDerWaalsContact O-CG 3.31Å; L448-R452 WeakPolarHBondContact O-CG 3.26Å; L448-R452 PolarHBondContact O-N 2.8Å; Y449-R452 PolarHBondContact O-N 2.96Å; Y449-R452 VanDerWaalsContact O-N 3.12Å; R452-D455 PolarHBondContact O-N 2.85Å; R452-Y456 WeakPolarHBondContact O-CB 3.23Å; R452-Y456 PolarHBondContact O-N 2.91Å; R452-F608 HydrophobicContact CB-CD1 3.8Å; R452-F608 HydrophobicContact CB-CE1 4.3Å; R452-F608 WeakPolarHBondContact O-CE1 3.15Å; R452-D609 PolarHBondContact NH1-O 2.62Å; R452-V610 HydrophobicContact CG-CG2 4.11Å
453L98.6Very high97.7Very high0 Ų062.9 Ų62.90%031%0.314CS..Hα-helixtrans-61.7-44.8174.1-173.965.8000110.9T423 Y449 K451 Y456 F457 T478 L482 V591 F608T423-L453 HydrophobicContact CG2-CD2 4.15Å; Y449-L453 HydrophobicContact CE1-CD2 4.12Å; Y449-L453 HydrophobicContact CE2-CB 4.42Å; Y449-L453 HydrophobicContact CE2-CD1 4.43Å; Y449-L453 WeakPolarHBondContact O-CB 3.01Å; Y449-L453 PolarHBondContact O-N 2.9Å; Y449-L453 WeakPolarHBondContact OH-CD1 3.43Å; K451-L453 VanDerWaalsContact C-N 3.25Å; K451-L453 PolarHBondContact O-N 2.91Å; L453-Y456 PolarHBondContact O-N 2.79Å; L453-F457 HydrophobicContact CD1-CD2 3.98Å; L453-F457 HydrophobicContact CD1-CE2 3.61Å; L453-F457 HydrophobicContact CG-CD2 4.17Å; L453-F457 HydrophobicContact CG-CE2 4.18Å; L453-F457 WeakPolarHBondContact O-CD2 3.29Å; L453-F457 PolarHBondContact O-N 2.91Å; L453-F457 VanDerWaalsContact O-N 3.1Å; L453-T478 HydrophobicContact CD2-CG2 3.95Å; L453-L482 HydrophobicContact CD2-CD1 4.18Å; L453-L482 HydrophobicContact CD2-CD2 4.43Å; L453-L482 HydrophobicContact CG-CD2 4.16Å; L453-V591 HydrophobicContact CD1-CG2 3.36Å; L453-F608 HydrophobicContact CD1-CE1 4.47Å; L453-F608 HydrophobicContact CD1-CE2 4.17Å; L453-F608 HydrophobicContact CD1-CZ 3.79Å
454S98.3Very high97.5Very high7 Ų766.4 Ų66.45%0.04933%0.333CS..Hα-helixtrans-61.7-47.8174.2-169.90000111.9A450 K451 Y456 F457 Q458 L481A450-S454 PolarHBondContact O-N 3.1Å; K451-S454 WeakPolarHBondContact O-CA 3.46Å; K451-S454 WeakPolarHBondContact O-CB 3.48Å; K451-S454 PolarHBondContact O-N 3.31Å; S454-Y456 VanDerWaalsContact C-N 3.27Å; S454-Y456 PolarHBondContact O-N 2.86Å; S454-F457 PolarHBondContact O-N 3.38Å; S454-Q458 WeakPolarHBondContact O-CB 3.27Å; S454-Q458 WeakPolarHBondContact O-CG 3.49Å; S454-Q458 PolarHBondContact O-N 3.14Å; S454-Q458 PolarHBondContact OG-NE2 3.09Å; S454-L481 WeakPolarHBondContact CB-O 3.21Å; S454-L481 PolarHBondContact OG-O 3.43Å
455D98.1Very high97.4Very high93 Ų9358.4 Ų58.450%0.49730%0.296SS..Hα-helixtrans-57.4-41.8177.4-58.8-26.8000111.4K451 R452 Q458 G459K451-D455 PolarHBondContact O-N 2.95Å; R452-D455 PolarHBondContact O-N 2.85Å; D455-Q458 PolarHBondContact O-N 3.37Å; D455-G459 PolarHBondContact O-N 3Å
456Y98.4Very high97.3Very high48 Ų4854.1 Ų54.119%0.18828%0.28CS..Hα-helixtrans-61.1-51.6176.3172.6-100.4000112.2R452 L453 S454 Q458 G459 E460 I606 F608R452-Y456 WeakPolarHBondContact O-CB 3.23Å; R452-Y456 PolarHBondContact O-N 2.91Å; L453-Y456 PolarHBondContact O-N 2.79Å; S454-Y456 VanDerWaalsContact C-N 3.27Å; S454-Y456 PolarHBondContact O-N 2.86Å; Y456-Q458 VanDerWaalsContact C-N 3.32Å; Y456-Q458 PolarHBondContact O-N 2.96Å; Y456-G459 PolarHBondContact O-N 3.45Å; Y456-G459 VanDerWaalsContact O-N 3.13Å; Y456-E460 HydrophobicContact CD1-CG 4.27Å; Y456-E460 HydrophobicContact CD2-CG 4.08Å; Y456-E460 HydrophobicContact CE1-CG 3.79Å; Y456-E460 HydrophobicContact CE2-CG 3.54Å; Y456-E460 WeakPolarHBondContact CE2-OE1 3.49Å; Y456-E460 HydrophobicContact CG-CG 4.4Å; Y456-E460 WeakPolarHBondContact O-CG 3.26Å; Y456-E460 PolarHBondContact O-N 2.83Å; Y456-I606 HydrophobicContact CE1-CD1 4.24Å; Y456-I606 HydrophobicContact CE2-CG2 4.09Å; Y456-I606 VanDerWaalsContact OH-CD1 3.27Å; Y456-I606 WeakPolarHBondContact OH-CD1 3.46Å; Y456-F608 AromaticContact CD1-CZ 3.94Å; Y456-F608 HydrophobicContact CD1-CZ 3.94Å; Y456-F608 HydrophobicContact CD2-CZ 4.39Å; Y456-F608 HydrophobicContact CG-CE1 4.11Å; Y456-F608 AromaticContact CG-CZ 3.74Å; Y456-F608 HydrophobicContact CG-CZ 3.74Å
457F98.2Very high97.3Very high1 Ų154.1 Ų54.10%0.00428%0.28CS..Hα-helixtrans-70.5-27.3-178.9-80.6-73.2000113.4F421 L453 S454 Q461 V462 L465 L482 C485 L558 V591F421-F457 HydrophobicContact CB-CZ 4.1Å; F421-F457 AromaticContact CD1-CE1 3.95Å; F421-F457 HydrophobicContact CD1-CE1 3.95Å; F421-F457 AromaticContact CD1-CZ 3.91Å; F421-F457 HydrophobicContact CD1-CZ 3.91Å; F421-F457 HydrophobicContact CD2-CE1 4.17Å; F421-F457 HydrophobicContact CE1-CE1 4.08Å; F421-F457 HydrophobicContact CE1-CZ 4.44Å; F421-F457 HydrophobicContact CE2-CE1 4.32Å; F421-F457 AromaticContact CG-CE1 3.99Å; F421-F457 HydrophobicContact CG-CE1 3.99Å; F421-F457 AromaticContact CG-CZ 3.94Å; F421-F457 HydrophobicContact CG-CZ 3.94Å; F421-F457 HydrophobicContact CZ-CE1 4.26Å; L453-F457 HydrophobicContact CD1-CD2 3.98Å; L453-F457 HydrophobicContact CD1-CE2 3.61Å; L453-F457 HydrophobicContact CG-CD2 4.17Å; L453-F457 HydrophobicContact CG-CE2 4.18Å; L453-F457 WeakPolarHBondContact O-CD2 3.29Å; L453-F457 PolarHBondContact O-N 2.91Å; L453-F457 VanDerWaalsContact O-N 3.1Å; S454-F457 PolarHBondContact O-N 3.38Å; F457-Q461 PolarHBondContact O-N 3.4Å; F457-Q461 VanDerWaalsContact O-N 3.16Å; F457-V462 HydrophobicContact CD1-CG2 3.97Å; F457-V462 HydrophobicContact CE1-CG2 4.23Å; F457-L465 HydrophobicContact CB-CD2 4Å; F457-L465 HydrophobicContact CD1-CD1 4.46Å; F457-L465 HydrophobicContact CD1-CD2 3.5Å; F457-L465 VanDerWaalsContact CD1-CD2 3.5Å; F457-L465 HydrophobicContact CE1-CD1 4.35Å; F457-L465 HydrophobicContact CE1-CD2 4.13Å; F457-L465 HydrophobicContact CG-CD2 3.83Å; F457-L482 HydrophobicContact CB-CD2 4.39Å; F457-L482 HydrophobicContact CD2-CD2 3.96Å; F457-C485 HydrophobicContact CB-CB 4.26Å; F457-L558 HydrophobicContact CD2-CD2 3.93Å; F457-L558 HydrophobicContact CE2-CD1 4.12Å; F457-L558 HydrophobicContact CE2-CD2 3.46Å; F457-L558 VanDerWaalsContact CE2-CD2 3.46Å; F457-L558 HydrophobicContact CE2-CG 4.39Å; F457-L558 HydrophobicContact CZ-CD1 3.98Å; F457-L558 HydrophobicContact CZ-CD2 3.8Å; F457-L558 HydrophobicContact CZ-CG 4.35Å; F457-V591 HydrophobicContact CE2-CG2 4.36Å; F457-V591 HydrophobicContact CZ-CG1 4.36Å
458Q97.3Very high97.3Very high89 Ų8950.6 Ų50.642%0.41626%0.261SS..Hα-helixtrans-67.1-38.5168.7-73.1178.454.500111.8S454 D455 Y456 Q461 C485S454-Q458 WeakPolarHBondContact O-CB 3.27Å; S454-Q458 WeakPolarHBondContact O-CG 3.49Å; S454-Q458 PolarHBondContact O-N 3.14Å; S454-Q458 PolarHBondContact OG-NE2 3.09Å; D455-Q458 PolarHBondContact O-N 3.37Å; Y456-Q458 VanDerWaalsContact C-N 3.32Å; Y456-Q458 PolarHBondContact O-N 2.96Å; Q458-Q461 WeakPolarHBondContact O-CG 3.35Å; Q458-C485 HydrophobicContact CG-CB 3.76Å
459G96.9Very high97.3Very high58 Ų5847.3 Ų47.360%0.59824%0.244SC*.Hα-helixtrans-70.6-42.7176.200000113.5D455 Y456 Q461D455-G459 PolarHBondContact O-N 3Å; Y456-G459 PolarHBondContact O-N 3.45Å; Y456-G459 VanDerWaalsContact O-N 3.13Å; G459-Q461 VanDerWaalsContact C-N 3.29Å; G459-Q461 PolarHBondContact O-N 3.37Å
460E95.4Very high97.3Very high97 Ų9747.3 Ų47.345%0.45324%0.244SC..Hα-helixtrans-69.8-24.8178.5-70.5-74.513500113.2Y456 V462Y456-E460 HydrophobicContact CD1-CG 4.27Å; Y456-E460 HydrophobicContact CD2-CG 4.08Å; Y456-E460 HydrophobicContact CE1-CG 3.79Å; Y456-E460 HydrophobicContact CE2-CG 3.54Å; Y456-E460 WeakPolarHBondContact CE2-OE1 3.49Å; Y456-E460 HydrophobicContact CG-CG 4.4Å; Y456-E460 WeakPolarHBondContact O-CG 3.26Å; Y456-E460 PolarHBondContact O-N 2.83Å; E460-V462 VanDerWaalsContact C-N 3.33Å; E460-V462 HydrophobicContact CB-CG2 4.03Å; E460-V462 PolarHBondContact O-N 2.79Å
461Q93.8Very high97.3Very high157 Ų15752 Ų5273%0.73427%0.266SS*.THydrogen-bonded Turntrans49.550.8-179-59.7-176.523.200112.8F457 Q458 G459 P463F457-Q461 PolarHBondContact O-N 3.4Å; F457-Q461 VanDerWaalsContact O-N 3.16Å; Q458-Q461 WeakPolarHBondContact O-CG 3.35Å; G459-Q461 VanDerWaalsContact C-N 3.29Å; G459-Q461 PolarHBondContact O-N 3.37Å; Q461-P463 VanDerWaalsContact O-CD 3.31Å; Q461-P463 WeakPolarHBondContact O-CD 3.25Å
462V95.3Very high97.3Very high22 Ų2248.6 Ų48.613%0.13325%0.251CS..  trans-61.9121.31801800000109.8F421 F457 E460 D464 L465 N556F421-V462 HydrophobicContact CE2-CG1 4.1Å; F421-V462 HydrophobicContact CE2-CG2 4.32Å; F421-V462 HydrophobicContact CZ-CG2 4.06Å; F457-V462 HydrophobicContact CD1-CG2 3.97Å; F457-V462 HydrophobicContact CE1-CG2 4.23Å; E460-V462 VanDerWaalsContact C-N 3.33Å; E460-V462 HydrophobicContact CB-CG2 4.03Å; E460-V462 PolarHBondContact O-N 2.79Å; V462-D464 PolarHBondContact O-N 3.14Å; V462-L465 HydrophobicContact CB-CB 4.22Å; V462-L465 HydrophobicContact CB-CD1 4.38Å; V462-L465 HydrophobicContact CG1-CB 4.27Å; V462-L465 HydrophobicContact CG1-CD1 4.09Å; V462-N556 HydrophobicContact CG1-CB 3.65Å
463P94.1Very high97.3Very high96 Ų9647.3 Ų47.362%0.62325%0.251SS*.THydrogen-bonded Turntrans-64.2135.4-179.2-22.233.2000111.9Q461 L465 N556Q461-P463 VanDerWaalsContact O-CD 3.31Å; Q461-P463 WeakPolarHBondContact O-CD 3.25Å; P463-L465 VanDerWaalsContact C-N 3.28Å; P463-L465 PolarHBondContact O-N 3.04Å; P463-N556 PolarHBondContact O-ND2 3.48Å
464D94.4Very high97.3Very high77 Ų7747.5 Ų47.541%0.41225%0.252SS..THydrogen-bonded Turntrans4747.8178.7-168.735.3000113.6V462 R466 T487V462-D464 PolarHBondContact O-N 3.14Å; D464-R466 PolarHBondContact O-N 2.87Å; D464-R466 IonicContact OD2-CZ 2.78Å; D464-R466 IonicContact OD2-NH1 3.39Å; D464-R466 IonicContact OD2-NH2 3.64Å; D464-T487 WeakPolarHBondContact CA-OG1 3.32Å; D464-T487 WeakPolarHBondContact OD1-CB 3.49Å; D464-T487 WeakPolarHBondContact OD1-CG2 3.31Å; D464-T487 PolarHBondContact OD1-OG1 3.43Å
465L97.2Very high97.3Very high2 Ų247.2 Ų47.21%0.0125%0.249CC..  trans-68.3105.5-179.5-178.965000110.6F421 F457 V462 P463 V467 A486 T487 L558F421-L465 HydrophobicContact CD2-CD1 4.43Å; F457-L465 HydrophobicContact CB-CD2 4Å; F457-L465 HydrophobicContact CD1-CD1 4.46Å; F457-L465 HydrophobicContact CD1-CD2 3.5Å; F457-L465 VanDerWaalsContact CD1-CD2 3.5Å; F457-L465 HydrophobicContact CE1-CD1 4.35Å; F457-L465 HydrophobicContact CE1-CD2 4.13Å; F457-L465 HydrophobicContact CG-CD2 3.83Å; V462-L465 HydrophobicContact CB-CB 4.22Å; V462-L465 HydrophobicContact CB-CD1 4.38Å; V462-L465 HydrophobicContact CG1-CB 4.27Å; V462-L465 HydrophobicContact CG1-CD1 4.09Å; P463-L465 VanDerWaalsContact C-N 3.28Å; P463-L465 PolarHBondContact O-N 3.04Å; L465-V467 HydrophobicContact CG-CG2 4.38Å; L465-A486 CarbonylContact O-C 3.55Å; L465-A486 VanDerWaalsContact O-CA 3.31Å; L465-A486 WeakPolarHBondContact O-CA 3.26Å; L465-T487 PolarHBondContact O-N 2.87Å; L465-L558 HydrophobicContact CD1-CB 3.97Å
466R97.6Very high97.4Very high21 Ų2144.9 Ų44.98%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-86.1136170.4-65.7167.2-75.6-126.4-32.1110.2D464 Y488 E555 N556 V557 L558D464-R466 PolarHBondContact O-N 2.87Å; D464-R466 IonicContact OD2-CZ 2.78Å; D464-R466 IonicContact OD2-NH1 3.39Å; D464-R466 IonicContact OD2-NH2 3.64Å; R466-Y488 HydrophobicContact CB-CE2 4.28Å; R466-Y488 WeakPolarHBondContact CD-OH 3.38Å; R466-Y488 HydrophobicContact CG-CD1 4.34Å; R466-Y488 HydrophobicContact CG-CE1 3.6Å; R466-Y488 HydrophobicContact CG-CE2 4.12Å; R466-E555 VanDerWaalsContact NH2-N 3.13Å; R466-N556 PolarHBondContact N-O 3.05Å; R466-N556 PolarHBondContact NE-O 2.8Å; R466-V557 HydrophobicContact CB-CG2 4.38Å; R466-V557 CarbonylContact O-C 3.49Å; R466-V557 WeakPolarHBondContact O-CA 3.29Å; R466-L558 PolarHBondContact O-N 3.29Å
467V98.7Very high97.4Very high0 Ų045.8 Ų45.80%024%0.244CC..EExtended strand (participates in β ladder)trans-113.7122.3178.4177.90000109.9L465 A479 L482 A486 Y488 I489 E490 L558 V560L465-V467 HydrophobicContact CG-CG2 4.38Å; V467-A479 HydrophobicContact CG1-CB 4.1Å; V467-L482 HydrophobicContact CG1-CD1 3.94Å; V467-L482 HydrophobicContact CG2-CB 4.27Å; V467-L482 HydrophobicContact CG2-CD1 4.16Å; V467-A486 HydrophobicContact CB-CB 4.25Å; V467-A486 HydrophobicContact CG2-CB 3.54Å; V467-Y488 PolarHBondContact N-O 2.84Å; V467-I489 HydrophobicContact CB-CG1 3.99Å; V467-I489 HydrophobicContact CG1-CG1 4.28Å; V467-I489 HydrophobicContact CG1-CG2 4.35Å; V467-I489 CarbonylContact O-C 3.58Å; V467-I489 VanDerWaalsContact O-CA 3.32Å; V467-I489 WeakPolarHBondContact O-CA 3.3Å; V467-E490 PolarHBondContact O-N 2.84Å; V467-L558 CarbonylContact C-O 3.57Å; V467-L558 WeakPolarHBondContact CA-O 3.25Å; V467-L558 HydrophobicContact CG2-CB 4.35Å; V467-L558 HydrophobicContact CG2-CD2 4.31Å; V467-V560 HydrophobicContact CG1-CG2 4.25Å
468W98.7Very high97.4Very high3 Ų345.7 Ų45.71%0.01124%0.244CC..EExtended strand (participates in β ladder)trans-110.7128173.1-59.4-16.1000109.6L495 V547 E550 L551 Q554 V557 L558 V559 V560W468-L495 HydrophobicContact CB-CD1 3.83Å; W468-V547 HydrophobicContact CE3-CG1 4.26Å; W468-V547 HydrophobicContact CZ3-CG1 4.17Å; W468-E550 HydrophobicContact CH2-CB 3.47Å; W468-E550 VanDerWaalsContact CH2-CB 3.47Å; W468-E550 HydrophobicContact CZ2-CB 4.3Å; W468-E550 HydrophobicContact CZ3-CB 4.02Å; W468-L551 HydrophobicContact CE3-CD2 4.01Å; W468-L551 HydrophobicContact CE3-CG 4.49Å; W468-L551 HydrophobicContact CH2-CD2 4.02Å; W468-L551 HydrophobicContact CH2-CG 4.4Å; W468-L551 HydrophobicContact CZ3-CD2 3.43Å; W468-L551 VanDerWaalsContact CZ3-CD2 3.43Å; W468-L551 HydrophobicContact CZ3-CG 3.69Å; W468-Q554 HydrophobicContact CH2-CG 3.85Å; W468-Q554 HydrophobicContact CZ2-CG 3.79Å; W468-V557 HydrophobicContact CD2-CG1 3.63Å; W468-V557 HydrophobicContact CE3-CG1 3.83Å; W468-V557 HydrophobicContact CG-CG1 4.06Å; W468-V557 HydrophobicContact CH2-CG1 4.3Å; W468-V557 HydrophobicContact CH2-CG2 4.41Å; W468-V557 HydrophobicContact CZ2-CG1 4.18Å; W468-V557 HydrophobicContact CZ2-CG2 4.24Å; W468-V557 HydrophobicContact CZ3-CG1 4.18Å; W468-L558 PolarHBondContact N-O 2.82Å; W468-V559 HydrophobicContact CE3-CG2 4.25Å; W468-V559 CarbonylContact O-C 3.58Å; W468-V559 WeakPolarHBondContact O-CA 3.36Å; W468-V560 PolarHBondContact O-N 3.19Å
469S98.7Very high97.5Very high0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-122.3153.2-179.5-169.40000110.6A475 E490 H491 W492 V560S469-A475 PolarHBondContact OG-O 3.19Å; S469-E490 PolarHBondContact N-O 3.32Å; S469-H491 CarbonylContact O-C 3.56Å; S469-H491 WeakPolarHBondContact O-CA 3.37Å; S469-W492 PolarHBondContact O-N 3.11Å; S469-V560 WeakPolarHBondContact CA-O 3.47Å
470S98.7Very high97.5Very high0 Ų046 Ų460%023%0.228CC..  trans-65.4172.3162.487.80000111.3K472 A475 V476 L495 D496 V560 H562S470-K472 VanDerWaalsContact C-N 3.33Å; S470-K472 PolarHBondContact OG-N 3.3Å; S470-A475 WeakPolarHBondContact OG-CB 3.42Å; S470-V476 WeakPolarHBondContact O-CG2 3.3Å; S470-L495 VanDerWaalsContact CB-C 3.46Å; S470-L495 WeakPolarHBondContact CB-O 3.25Å; S470-D496 WeakPolarHBondContact CB-OD1 3.26Å; S470-V560 PolarHBondContact N-O 3.2Å; S470-V560 VanDerWaalsContact N-O 3.11Å; S470-H562 VanDerWaalsContact CB-NE2 3.31Å; S470-H562 WeakPolarHBondContact CB-NE2 3.38Å; S470-H562 PolarHBondContact OG-CE1 3.06Å; S470-H562 PolarHBondContact OG-NE2 3.08Å
471Q98.3Very high97.7Very high98 Ų9843.8 Ų43.846%0.45822%0.219SC..SBendtrans-87-6.6176.7-64.4-172.9-25.100112.8H491 D496Q471-H491 HydrophobicContact CG-CB 4.15Å; Q471-D496 PolarHBondContact N-OD1 3.44Å
472K98.1Very high97.9Very high51 Ų5136.3 Ų36.322%0.22218%0.184CC..SBendtrans-69.8137.7179.9-61.3-64179.4175.70111.1D439 S470 R474 A475 V476 H562D439-K472 HydrophobicContact CB-CD 4.11Å; D439-K472 WeakPolarHBondContact OD1-CA 3.01Å; D439-K472 VanDerWaalsContact OD1-CB 3.31Å; D439-K472 WeakPolarHBondContact OD1-CB 3.22Å; D439-K472 WeakPolarHBondContact OD1-CD 3.35Å; S470-K472 VanDerWaalsContact C-N 3.33Å; S470-K472 PolarHBondContact OG-N 3.3Å; K472-R474 VanDerWaalsContact C-N 3.29Å; K472-R474 HydrophobicContact CB-CG 4.36Å; K472-R474 PolarHBondContact O-N 3.48Å; K472-R474 VanDerWaalsContact O-N 3.12Å; K472-A475 PolarHBondContact O-N 2.91Å; K472-V476 WeakPolarHBondContact O-CG2 3.44Å; K472-V476 PolarHBondContact O-N 3.07Å; K472-H562 WeakPolarHBondContact CG-NE2 3.16Å
473I98.6Very high97.9Very high73 Ų7337.1 Ų37.137%0.37420%0.197SC..Hα-helixtrans-47.9-49-174-65.2178.4000111.5D439 P441 A475 V476 Q477D439-I473 PolarHBondContact OD1-N 2.89Å; P441-I473 HydrophobicContact CB-CG2 4.14Å; I473-A475 VanDerWaalsContact C-N 3.34Å; I473-A475 PolarHBondContact O-N 3.25Å; I473-V476 PolarHBondContact O-N 3.34Å; I473-Q477 HydrophobicContact CG2-CG 4.12Å; I473-Q477 WeakPolarHBondContact O-CB 3.41Å; I473-Q477 VanDerWaalsContact O-CG 3.24Å; I473-Q477 WeakPolarHBondContact O-CG 3.36Å; I473-Q477 PolarHBondContact O-N 3.02Å
474R98.6Very high98Very high5 Ų537.3 Ų37.32%0.01920%0.198CC..Hα-helixtrans-56.9-40177.956.3-168.6-175.6-85.84.3114.5H425 G438 S440 L442 K472 T478 H562H425-R474 HydrophobicContact CB-CB 4.27Å; H425-R474 HydrophobicContact CB-CG 4.24Å; H425-R474 WeakPolarHBondContact CE1-CD 3.43Å; H425-R474 PolarHBondContact CE1-NE 3.43Å; H425-R474 WeakPolarHBondContact NE2-CD 3.31Å; H425-R474 PolarHBondContact NE2-NE 2.65Å; G438-R474 PolarHBondContact O-NH1 2.84Å; G438-R474 PolarHBondContact O-NH2 2.59Å; S440-R474 WeakPolarHBondContact O-CB 3.47Å; L442-R474 HydrophobicContact CD2-CB 3.92Å; L442-R474 WeakPolarHBondContact CD2-O 3.37Å; L442-R474 HydrophobicContact CG-CB 4.41Å; K472-R474 VanDerWaalsContact C-N 3.29Å; K472-R474 HydrophobicContact CB-CG 4.36Å; K472-R474 PolarHBondContact O-N 3.48Å; K472-R474 VanDerWaalsContact O-N 3.12Å; R474-T478 PolarHBondContact O-N 2.98Å; R474-T478 PolarHBondContact O-OG1 3.24Å; R474-H562 PolarHBondContact NE-CE1 2.69Å; R474-H562 PolarHBondContact NE-ND1 2.65Å; R474-H562 PolarHBondContact NH2-CE1 3.06Å; R474-H562 VanDerWaalsContact NH2-CE1 3.34Å; R474-H562 PolarHBondContact NH2-ND1 3.2Å
475A98.8Very high98.1Very high0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-76.7-40.8178.500000111.3H425 S469 S470 K472 I473 Q477 T478 A479 V560H425-A475 HydrophobicContact CB-CB 4.09Å; S469-A475 PolarHBondContact OG-O 3.19Å; S470-A475 WeakPolarHBondContact OG-CB 3.42Å; K472-A475 PolarHBondContact O-N 2.91Å; I473-A475 VanDerWaalsContact C-N 3.34Å; I473-A475 PolarHBondContact O-N 3.25Å; A475-Q477 PolarHBondContact O-N 3.37Å; A475-T478 PolarHBondContact O-N 3.26Å; A475-A479 WeakPolarHBondContact O-CB 3.41Å; A475-A479 PolarHBondContact O-N 3.09Å; A475-V560 HydrophobicContact CB-CG1 4.24Å
476V98.7Very high98.1Very high44 Ų4435.7 Ų35.727%0.26719%0.193SC..Hα-helixtrans-59.6-46.5173.7176.50000110.8S470 K472 I473 T478 A479 F480S470-V476 WeakPolarHBondContact O-CG2 3.3Å; K472-V476 WeakPolarHBondContact O-CG2 3.44Å; K472-V476 PolarHBondContact O-N 3.07Å; I473-V476 PolarHBondContact O-N 3.34Å; V476-T478 VanDerWaalsContact C-N 3.32Å; V476-T478 PolarHBondContact O-N 3.27Å; V476-A479 PolarHBondContact O-N 3.05Å; V476-F480 VanDerWaalsContact O-CB 3.28Å; V476-F480 WeakPolarHBondContact O-CB 3.44Å; V476-F480 PolarHBondContact O-N 2.93Å
477Q98.7Very high98Very high67 Ų6738.5 Ų38.531%0.31321%0.213SC..Hα-helixtrans-62.7-36.7177.1-74.8177-28.900112.7L442 I473 A475L442-Q477 HydrophobicContact CD1-CB 3.62Å; L442-Q477 HydrophobicContact CG-CB 3.96Å; I473-Q477 HydrophobicContact CG2-CG 4.12Å; I473-Q477 WeakPolarHBondContact O-CB 3.41Å; I473-Q477 VanDerWaalsContact O-CG 3.24Å; I473-Q477 WeakPolarHBondContact O-CG 3.36Å; I473-Q477 PolarHBondContact O-N 3.02Å; A475-Q477 PolarHBondContact O-N 3.37Å
478T98.8Very high98Very high0 Ų042.6 Ų42.60%023%0.229CC..Hα-helixtrans-67.1-47.9174.9-560000110.3H425 G426 Y449 A450 L453 R474 A475 V476 F480 V560H425-T478 WeakPolarHBondContact CA-OG1 3.41Å; G426-T478 PolarHBondContact N-OG1 3.4Å; Y449-T478 HydrophobicContact CE1-CG2 4.36Å; A450-T478 HydrophobicContact CB-CG2 4.11Å; L453-T478 HydrophobicContact CD2-CG2 3.95Å; R474-T478 PolarHBondContact O-N 2.98Å; R474-T478 PolarHBondContact O-OG1 3.24Å; A475-T478 PolarHBondContact O-N 3.26Å; V476-T478 VanDerWaalsContact C-N 3.32Å; V476-T478 PolarHBondContact O-N 3.27Å; T478-F480 PolarHBondContact O-N 2.91Å; T478-V560 HydrophobicContact CG2-CG1 3.85Å
479A98.7Very high98Very high0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-67.2-34.5-178.600000113V467 A475 V476 L481 L482 I489 V560V467-A479 HydrophobicContact CG1-CB 4.1Å; A475-A479 WeakPolarHBondContact O-CB 3.41Å; A475-A479 PolarHBondContact O-N 3.09Å; V476-A479 PolarHBondContact O-N 3.05Å; A479-L481 PolarHBondContact O-N 2.88Å; A479-L482 VanDerWaalsContact O-CB 3.3Å; A479-L482 WeakPolarHBondContact O-CB 2.89Å; A479-L482 PolarHBondContact O-N 3.48Å; A479-I489 HydrophobicContact CB-CG2 4.15Å; A479-I489 VanDerWaalsContact O-CD1 3.23Å; A479-I489 WeakPolarHBondContact O-CD1 3.4Å; A479-V560 HydrophobicContact CB-CB 4.48Å; A479-V560 HydrophobicContact CB-CG2 4.34Å
480F98.5Very high98Very high154 Ų15448.2 Ų48.268%0.67526%0.257SS*.Hα-helixtrans-54.7-38.2-179179.4-98.7000112.8V476 T478 L482 G483V476-F480 VanDerWaalsContact O-CB 3.28Å; V476-F480 WeakPolarHBondContact O-CB 3.44Å; V476-F480 PolarHBondContact O-N 2.93Å; T478-F480 PolarHBondContact O-N 2.91Å; F480-L482 PolarHBondContact O-N 3.2Å; F480-G483 PolarHBondContact O-N 3.12Å
481L97.9Very high97.9Very high50 Ų5052.4 Ų52.426%0.26228%0.276SS..THydrogen-bonded Turntrans-74.3-10.2179.5-62-172.6000114A450 K451 S454 A479 G483 P484A450-L481 HydrophobicContact CB-CD1 3.78Å; K451-L481 HydrophobicContact CG-CD1 3.67Å; S454-L481 WeakPolarHBondContact CB-O 3.21Å; S454-L481 PolarHBondContact OG-O 3.43Å; A479-L481 PolarHBondContact O-N 2.88Å; L481-G483 VanDerWaalsContact C-N 3.3Å; L481-P484 WeakPolarHBondContact O-CD 3.34Å
482L98.3Very high97.9Very high0 Ų050.7 Ų50.70%027%0.265CS..THydrogen-bonded Turntrans-83.3-4174.5-65.8163.8000113.2L453 F457 V467 A479 F480 P484 C485 A486 L558 V560L453-L482 HydrophobicContact CD2-CD1 4.18Å; L453-L482 HydrophobicContact CD2-CD2 4.43Å; L453-L482 HydrophobicContact CG-CD2 4.16Å; F457-L482 HydrophobicContact CB-CD2 4.39Å; F457-L482 HydrophobicContact CD2-CD2 3.96Å; V467-L482 HydrophobicContact CG1-CD1 3.94Å; V467-L482 HydrophobicContact CG2-CB 4.27Å; V467-L482 HydrophobicContact CG2-CD1 4.16Å; A479-L482 VanDerWaalsContact O-CB 3.3Å; A479-L482 WeakPolarHBondContact O-CB 2.89Å; A479-L482 PolarHBondContact O-N 3.48Å; F480-L482 PolarHBondContact O-N 3.2Å; L482-P484 VanDerWaalsContact C-N 3.27Å; L482-P484 VanDerWaalsContact O-N 3.13Å; L482-C485 PolarHBondContact O-N 3.01Å; L482-C485 PolarHBondContact O-SG 3.11Å; L482-A486 WeakPolarHBondContact O-CB 3.25Å; L482-A486 PolarHBondContact O-N 2.92Å; L482-L558 HydrophobicContact CD1-CD2 3.44Å; L482-L558 VanDerWaalsContact CD1-CD2 3.44Å; L482-L558 HydrophobicContact CD2-CD2 4.26Å; L482-V560 HydrophobicContact CD1-CG2 4.18Å
483G96.7Very high97.9Very high39 Ų3955.3 Ų55.340%0.40229%0.285SS..THydrogen-bonded Turntrans-46.9-40.7179.100000115.2F480 L481 C485F480-G483 PolarHBondContact O-N 3.12Å; L481-G483 VanDerWaalsContact C-N 3.3Å; G483-C485 VanDerWaalsContact C-N 3.33Å; G483-C485 PolarHBondContact O-N 2.93Å
484P95.9Very high97.8Very high100 Ų10052.9 Ų52.965%0.64928%0.276SS*.THydrogen-bonded Turntrans-66.3-24.4178.2-24.535.9000115.9L481 L482L481-P484 WeakPolarHBondContact O-CD 3.34Å; L482-P484 VanDerWaalsContact C-N 3.27Å; L482-P484 VanDerWaalsContact O-N 3.13Å
485C95.3Very high97.8Very high26 Ų2652.6 Ų52.618%0.17628%0.275CS..THydrogen-bonded Turntrans-113.9-7.4-177.855.30000114.2F457 Q458 L482 G483F457-C485 HydrophobicContact CB-CB 4.26Å; Q458-C485 HydrophobicContact CG-CB 3.76Å; L482-C485 PolarHBondContact O-N 3.01Å; L482-C485 PolarHBondContact O-SG 3.11Å; G483-C485 VanDerWaalsContact C-N 3.33Å; G483-C485 PolarHBondContact O-N 2.93Å
486A97.3Very high97.8Very high18 Ų1853.7 Ų53.715%0.14928%0.281CS..  trans-90.6139.6177.700000111.4L465 V467 L482 Y488 I489L465-A486 CarbonylContact O-C 3.55Å; L465-A486 VanDerWaalsContact O-CA 3.31Å; L465-A486 WeakPolarHBondContact O-CA 3.26Å; V467-A486 HydrophobicContact CB-CB 4.25Å; V467-A486 HydrophobicContact CG2-CB 3.54Å; L482-A486 WeakPolarHBondContact O-CB 3.25Å; L482-A486 PolarHBondContact O-N 2.92Å; A486-Y488 VanDerWaalsContact C-N 3.28Å; A486-I489 HydrophobicContact CB-CG1 4.1Å
487T97.1Very high97.8Very high81 Ų8153 Ų5350%0.49728%0.275SS..SBendtrans-60.7-44.5166.2-52.60000109.9D464 L465D464-T487 WeakPolarHBondContact CA-OG1 3.32Å; D464-T487 WeakPolarHBondContact OD1-CB 3.49Å; D464-T487 WeakPolarHBondContact OD1-CG2 3.31Å; D464-T487 PolarHBondContact OD1-OG1 3.43Å; L465-T487 PolarHBondContact O-N 2.87Å
488Y97.6Very high97.7Very high86 Ų8650.8 Ų50.834%0.33727%0.265SS..EExtended strand (participates in β ladder)trans-160.4163173.259.5-100.2000110.7R466 V467 A486 E490R466-Y488 HydrophobicContact CB-CE2 4.28Å; R466-Y488 WeakPolarHBondContact CD-OH 3.38Å; R466-Y488 HydrophobicContact CG-CD1 4.34Å; R466-Y488 HydrophobicContact CG-CE1 3.6Å; R466-Y488 HydrophobicContact CG-CE2 4.12Å; V467-Y488 PolarHBondContact N-O 2.84Å; A486-Y488 VanDerWaalsContact C-N 3.28Å; Y488-E490 HydrophobicContact CD2-CG 3.8Å; Y488-E490 VanDerWaalsContact CE2-CD 3.47Å; Y488-E490 HydrophobicContact CE2-CG 3.76Å; Y488-E490 WeakPolarHBondContact CE2-OE1 3.17Å
489I98.4Very high97.6Very high51 Ų5154 Ų5426%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-118.7127.1175.2-59.8163.8000108.7V467 A479 A486V467-I489 HydrophobicContact CB-CG1 3.99Å; V467-I489 HydrophobicContact CG1-CG1 4.28Å; V467-I489 HydrophobicContact CG1-CG2 4.35Å; V467-I489 CarbonylContact O-C 3.58Å; V467-I489 VanDerWaalsContact O-CA 3.32Å; V467-I489 WeakPolarHBondContact O-CA 3.3Å; A479-I489 HydrophobicContact CB-CG2 4.15Å; A479-I489 VanDerWaalsContact O-CD1 3.23Å; A479-I489 WeakPolarHBondContact O-CD1 3.4Å; A486-I489 HydrophobicContact CB-CG1 4.1Å
490E98.1Very high97.5Very high70 Ų7054.1 Ų54.133%0.32728%0.283SS..EExtended strand (participates in β ladder)trans-117.9148.4174.2-75.3175.3-171.900111.8V467 S469 Y488 W492V467-E490 PolarHBondContact O-N 2.84Å; S469-E490 PolarHBondContact N-O 3.32Å; Y488-E490 HydrophobicContact CD2-CG 3.8Å; Y488-E490 VanDerWaalsContact CE2-CD 3.47Å; Y488-E490 HydrophobicContact CE2-CG 3.76Å; Y488-E490 WeakPolarHBondContact CE2-OE1 3.17Å; E490-W492 PolarHBondContact OE2-NE1 3.14Å
491H97.6Very high97.3Very high87 Ų8747.5 Ų47.540%0.40326%0.258SS..EExtended strand (participates in β ladder)trans-115112.3-178.5-59.8-67.1000111.7S469 Q471S469-H491 CarbonylContact O-C 3.56Å; S469-H491 WeakPolarHBondContact O-CA 3.37Å; Q471-H491 HydrophobicContact CG-CB 4.15Å
492W98.2Very high97.1Very high62 Ų6248 Ų4824%0.23526%0.261CS..  trans-110.3118-171.6-70.356.8000110.5S469 E490 A494 L495 V547 E550S469-W492 PolarHBondContact O-N 3.11Å; E490-W492 PolarHBondContact OE2-NE1 3.14Å; W492-A494 PolarHBondContact O-N 3.33Å; W492-L495 HydrophobicContact CB-CB 4.25Å; W492-L495 HydrophobicContact CB-CD1 3.92Å; W492-L495 HydrophobicContact CB-CG 3.91Å; W492-L495 HydrophobicContact CG-CD1 4.37Å; W492-L495 WeakPolarHBondContact O-CB 2.94Å; W492-L495 PolarHBondContact O-N 3.34Å; W492-V547 HydrophobicContact CE3-CG2 3.97Å; W492-V547 HydrophobicContact CZ3-CG2 4.35Å; W492-E550 HydrophobicContact CH2-CB 4.45Å; W492-E550 HydrophobicContact CH2-CG 3.89Å; W492-E550 HydrophobicContact CZ3-CG 4.49Å
493K97.2Very high96.9Very high149 Ų14948 Ų4865%0.64826%0.261SS*.G310 helixtrans-59.2-32.1172.6-172.8177.9179-177.30112.3L495 D496K493-L495 PolarHBondContact O-N 2.64Å; K493-L495 VanDerWaalsContact O-N 3.15Å; K493-D496 WeakPolarHBondContact O-CB 3.41Å; K493-D496 PolarHBondContact O-N 3.27Å
494A97.6Very high96.9Very high21 Ų2149.2 Ų49.217%0.17426%0.256CS..G310 helixtrans-62.3-18.2175.700000113.3W492 R543 V544 V547W492-A494 PolarHBondContact O-N 3.33Å; A494-R543 VanDerWaalsContact C-NH1 3.34Å; A494-R543 HydrophobicContact CB-CG 4.34Å; A494-R543 PolarHBondContact O-NH1 3.31Å; A494-V544 WeakPolarHBondContact O-CG1 3.44Å; A494-V547 HydrophobicContact CB-CG2 3.85Å
495L98.7Very high96.9Very high0 Ų045.2 Ų45.20%023%0.233CC..G310 helixtrans-91.9-0175-68.8178000113.7W468 S470 W492 K493 V547 V559 A561 H562 V565 L569W468-L495 HydrophobicContact CB-CD1 3.83Å; S470-L495 VanDerWaalsContact CB-C 3.46Å; S470-L495 WeakPolarHBondContact CB-O 3.25Å; W492-L495 HydrophobicContact CB-CB 4.25Å; W492-L495 HydrophobicContact CB-CD1 3.92Å; W492-L495 HydrophobicContact CB-CG 3.91Å; W492-L495 HydrophobicContact CG-CD1 4.37Å; W492-L495 WeakPolarHBondContact O-CB 2.94Å; W492-L495 PolarHBondContact O-N 3.34Å; K493-L495 PolarHBondContact O-N 2.64Å; K493-L495 VanDerWaalsContact O-N 3.15Å; L495-V547 HydrophobicContact CD2-CG1 3.93Å; L495-V547 HydrophobicContact CD2-CG2 4.15Å; L495-V547 HydrophobicContact CG-CG2 4.39Å; L495-V559 HydrophobicContact CD1-CG1 3.81Å; L495-V559 HydrophobicContact CD2-CG1 3.73Å; L495-V559 HydrophobicContact CG-CG1 4.44Å; L495-A561 HydrophobicContact CB-CB 4.34Å; L495-A561 HydrophobicContact CD2-CB 4.39Å; L495-H562 PolarHBondContact O-CD2 3.41Å; L495-H562 VanDerWaalsContact O-CD2 3.23Å; L495-V565 HydrophobicContact CD2-CG1 3.84Å; L495-L569 HydrophobicContact CD2-CD1 4.31Å
496D98.5Very high97Very high22 Ų2244.8 Ų44.812%0.11823%0.229CC..SBendtrans-63.7146.5175.9-76.4-1.3000111.3S470 Q471 K493 R543 V565S470-D496 WeakPolarHBondContact CB-OD1 3.26Å; Q471-D496 PolarHBondContact N-OD1 3.44Å; K493-D496 WeakPolarHBondContact O-CB 3.41Å; K493-D496 PolarHBondContact O-N 3.27Å; D496-R543 PolarHBondContact O-NH1 2.88Å; D496-R543 PolarHBondContact O-NH2 3Å; D496-V565 WeakPolarHBondContact O-CG2 3.29Å
497E98.2Very high96.9Very high31 Ų3145.2 Ų45.215%0.14523%0.23CC..PPolyproline II helixtrans-54.6152.9179.2-172.956.4-62.900110.8D499 R543 H562 Q563 A564E497-D499 PolarHBondContact O-N 2.75Å; E497-R543 PolarHBondContact O-NH2 3.38Å; E497-H562 HydrophobicContact CB-CB 3.69Å; E497-H562 HydrophobicContact CG-CB 3.9Å; E497-H562 PolarHBondContact N-CD2 2.81Å; E497-H562 PolarHBondContact N-NE2 2.88Å; E497-H562 WeakPolarHBondContact OE1-CB 3.48Å; E497-H562 WeakPolarHBondContact OE2-CB 3.39Å; E497-Q563 PolarHBondContact OE2-N 2.61Å; E497-A564 WeakPolarHBondContact OE1-CB 3.36Å; E497-A564 PolarHBondContact OE1-N 3.4Å; E497-A564 VanDerWaalsContact OE1-N 3.09Å
498I98Very high96.6Very high19 Ų1943.7 Ų43.710%0.09722%0.215CC..PPolyproline II helixtrans-50.5128.9172.2-167.8170.7000110.4A500 Y531 E535 Y537 L540 A564I498-A500 PolarHBondContact O-N 2.77Å; I498-Y531 HydrophobicContact CD1-CE2 4.49Å; I498-E535 HydrophobicContact CG1-CB 3.87Å; I498-Y537 HydrophobicContact CD1-CD2 4.27Å; I498-Y537 HydrophobicContact CD1-CE2 4.48Å; I498-L540 HydrophobicContact CB-CD2 4.29Å; I498-A564 HydrophobicContact CB-CB 3.76Å; I498-A564 HydrophobicContact CG2-CB 3.55Å
499D96.7Very high96.5Very high67 Ų6743 Ų4336%0.35823%0.227SC..  trans-73.3112.3177.2-169.4-21.1000110E497 G501 G534 E535E497-D499 PolarHBondContact O-N 2.75Å; D499-G501 PolarHBondContact O-N 2.82Å; D499-G501 WeakPolarHBondContact OD1-CA 3.44Å; D499-G501 PolarHBondContact OD1-N 3.37Å; D499-G534 WeakPolarHBondContact O-CA 3.27Å; D499-E535 HydrophobicContact CB-CB 4.43Å; D499-E535 HydrophobicContact CB-CG 3.99Å; D499-E535 PolarHBondContact N-OE2 3.31Å; D499-E535 PolarHBondContact O-N 2.94Å
500A95.6Very high96.4Very high3 Ų342.6 Ų42.63%0.02522%0.224CC..  trans-79.62.9179.800000113.3L436 I498 I502 C503 E504 Y531L436-A500 HydrophobicContact CB-CB 4.49Å; I498-A500 PolarHBondContact O-N 2.77Å; A500-I502 PolarHBondContact O-N 2.9Å; A500-C503 HydrophobicContact CB-CB 4.23Å; A500-C503 WeakPolarHBondContact O-CA 3.48Å; A500-C503 WeakPolarHBondContact O-CB 3.47Å; A500-C503 PolarHBondContact O-N 3.5Å; A500-E504 HydrophobicContact CB-CG 4.08Å; A500-E504 WeakPolarHBondContact CB-OE1 3.18Å; A500-E504 PolarHBondContact N-OE1 3.28Å; A500-Y531 HydrophobicContact CB-CD1 4.4Å; A500-Y531 HydrophobicContact CB-CE1 4.37Å; A500-Y531 HydrophobicContact CB-CE2 4.46Å; A500-Y531 HydrophobicContact CB-CG 4.48Å; A500-Y531 WeakPolarHBondContact O-CB 3.36Å; A500-Y531 WeakPolarHBondContact O-CD1 3.36Å
501G94.8Very high96.3Very high15 Ų1539.7 Ų39.716%0.15521%0.211CC..G310 helixtrans54.2-124.4175.800000112.6D499 C503 E504 P532D499-G501 PolarHBondContact O-N 2.82Å; D499-G501 WeakPolarHBondContact OD1-CA 3.44Å; D499-G501 PolarHBondContact OD1-N 3.37Å; G501-C503 PolarHBondContact O-N 3.25Å; G501-E504 VanDerWaalsContact O-CB 3.26Å; G501-E504 WeakPolarHBondContact O-CB 3.46Å; G501-E504 WeakPolarHBondContact O-CG 3.43Å; G501-E504 PolarHBondContact O-N 2.99Å; G501-P532 WeakPolarHBondContact CA-O 3.27Å
502I93.7Very high96.2Very high62 Ų6239.8 Ų39.832%0.31821%0.214SC..G310 helixtrans-61.5-15.217864.7170000114.4A500 Y515 P532A500-I502 PolarHBondContact O-N 2.9Å; I502-Y515 HydrophobicContact CB-CE2 4.43Å; I502-Y515 HydrophobicContact CD1-CD1 4.03Å; I502-Y515 HydrophobicContact CD1-CD2 4.24Å; I502-Y515 HydrophobicContact CD1-CE1 3.9Å; I502-Y515 HydrophobicContact CD1-CE2 4.09Å; I502-Y515 HydrophobicContact CD1-CG 4.21Å; I502-Y515 HydrophobicContact CG1-CE2 4.22Å; I502-P532 HydrophobicContact CD1-CB 3.86Å; I502-P532 HydrophobicContact CD1-CG 3.86Å; I502-P532 HydrophobicContact CG1-CB 4.06Å; I502-P532 HydrophobicContact CG1-CG 4.28Å; I502-P532 HydrophobicContact CG2-CB 4.41Å; I502-P532 PolarHBondContact N-O 3.24Å; I502-P532 VanDerWaalsContact N-O 3.09Å
503C94.9Very high96.1Very high0 Ų044.3 Ų44.30%024%0.238CC..G310 helixtrans-93.80.1178.1-620000113.2L436 A500 G501 G505 L506 V511 Y531L436-C503 HydrophobicContact CD1-CB 4.39Å; A500-C503 HydrophobicContact CB-CB 4.23Å; A500-C503 WeakPolarHBondContact O-CA 3.48Å; A500-C503 WeakPolarHBondContact O-CB 3.47Å; A500-C503 PolarHBondContact O-N 3.5Å; G501-C503 PolarHBondContact O-N 3.25Å; C503-G505 PolarHBondContact O-N 2.87Å; C503-L506 WeakPolarHBondContact O-CB 3.34Å; C503-L506 PolarHBondContact O-N 3.44Å; C503-V511 HydrophobicContact CB-CG2 3.97Å; C503-Y531 HydrophobicContact CB-CD1 4.04Å; C503-Y531 HydrophobicContact CB-CE1 4.08Å
504E95.5Very high96.1Very high63 Ų6344.2 Ų44.229%0.29423%0.233SC..THydrogen-bonded Turntrans-55.5134.5177.3-84-67.6148.900112.4G437 G438 A500 G501 L506G437-E504 WeakPolarHBondContact CA-OE2 3.21Å; G438-E504 WeakPolarHBondContact CA-OE2 3.34Å; G438-E504 PolarHBondContact N-OE2 3.13Å; A500-E504 HydrophobicContact CB-CG 4.08Å; A500-E504 WeakPolarHBondContact CB-OE1 3.18Å; A500-E504 PolarHBondContact N-OE1 3.28Å; G501-E504 VanDerWaalsContact O-CB 3.26Å; G501-E504 WeakPolarHBondContact O-CB 3.46Å; G501-E504 WeakPolarHBondContact O-CG 3.43Å; G501-E504 PolarHBondContact O-N 2.99Å; E504-L506 PolarHBondContact O-N 2.91Å; E504-L506 VanDerWaalsContact O-N 3.14Å
505G95.6Very high96Very high17 Ų1747 Ų4718%0.17524%0.24CC..THydrogen-bonded Turntrans70.7-1.4-179.900000115.1R435 L436 C503R435-G505 WeakPolarHBondContact CD-O 3.07Å; R435-G505 WeakPolarHBondContact CG-O 3.49Å; R435-G505 PolarHBondContact NH1-O 2.97Å; L436-G505 WeakPolarHBondContact O-CA 3.29Å; L436-G505 PolarHBondContact O-N 2.89Å; C503-G505 PolarHBondContact O-N 2.87Å
506L96.8Very high95.8Very high16 Ų1650.5 Ų50.58%0.08426%0.263CS..  trans-87.4148.2178.4-59.5-174.9000112R435 L436 C503 E504 E510 V511 Y515R435-L506 CarbonylContact C-O 3.58Å; R435-L506 WeakPolarHBondContact CA-O 3.27Å; L436-L506 WeakPolarHBondContact CB-O 3.49Å; L436-L506 WeakPolarHBondContact CG-O 3.49Å; L436-L506 PolarHBondContact N-O 3.01Å; C503-L506 WeakPolarHBondContact O-CB 3.34Å; C503-L506 PolarHBondContact O-N 3.44Å; E504-L506 PolarHBondContact O-N 2.91Å; E504-L506 VanDerWaalsContact O-N 3.14Å; L506-E510 WeakPolarHBondContact CA-OE2 3.3Å; L506-E510 HydrophobicContact CB-CB 4.18Å; L506-E510 HydrophobicContact CD2-CB 4.38Å; L506-V511 HydrophobicContact CB-CG2 3.69Å; L506-V511 HydrophobicContact CD1-CG2 4.12Å; L506-Y515 HydrophobicContact CD1-CD2 4.37Å; L506-Y515 HydrophobicContact CD1-CE2 3.92Å
507T95.8Very high95.6Very high28 Ų2856 Ų5617%0.17229%0.288CS..BIsolated β-bridgetrans-74.7159.8164.668.80000110.5G434 R435 A509 E510 V511G434-T507 WeakPolarHBondContact O-CA 3.4Å; R435-T507 HydrophobicContact CG-CG2 3.76Å; T507-A509 PolarHBondContact O-N 2.73Å; T507-E510 PolarHBondContact N-OE2 2.71Å; T507-E510 PolarHBondContact O-N 2.77Å; T507-E510 VanDerWaalsContact O-N 3.15Å; T507-E510 VanDerWaalsContact OG1-CG 3.3Å; T507-E510 WeakPolarHBondContact OG1-CG 3.26Å; T507-E510 PolarHBondContact OG1-N 3.36Å; T507-E510 PolarHBondContact OG1-OE2 2.78Å; T507-V511 WeakPolarHBondContact O-CG2 3.28Å; T507-V511 PolarHBondContact O-N 3.16Å
508Y91.3Very high95.3Very high49 Ų4956.3 Ų56.319%0.19229%0.289CS..Hα-helixtrans-60-32.4176.2-74.3-73.5000113.9L436 V511 L512 F519 R617L436-Y508 HydrophobicContact CD1-CD1 4.46Å; L436-Y508 HydrophobicContact CD1-CE1 4.36Å; L436-Y508 HydrophobicContact CD2-CE1 3.87Å; L436-Y508 HydrophobicContact CD2-CE2 3.98Å; Y508-V511 PolarHBondContact O-N 2.71Å; Y508-L512 WeakPolarHBondContact O-CB 3.39Å; Y508-L512 PolarHBondContact O-N 3.09Å; Y508-F519 HydrophobicContact CD1-CE2 4.26Å; Y508-R617 VanDerWaalsContact CD1-NH1 3.34Å
509A94.8Very high95Very high71 Ų7157 Ų5759%0.58729%0.292SS*.Hα-helixtrans-66.7-45.3175.300000110.8T507 V511 L512 E513T507-A509 PolarHBondContact O-N 2.73Å; A509-V511 VanDerWaalsContact C-N 3.33Å; A509-V511 PolarHBondContact O-N 2.94Å; A509-L512 PolarHBondContact O-N 3.01Å; A509-E513 WeakPolarHBondContact O-CB 3.24Å; A509-E513 PolarHBondContact O-N 3.29Å
510E97.4Very high94.7Very high43 Ų4359.1 Ų59.120%0.20130%0.299CS..Hα-helixtrans-63.1-36.4175-70165.8157.800111.9R435 L506 T507 R514R435-E510 IonicContact CZ-OE1 3.44Å; R435-E510 IonicContact CZ-OE2 3.07Å; R435-E510 IonicContact NH1-OE1 3.21Å; R435-E510 PolarHBondContact NH1-OE1 3.33Å; R435-E510 IonicContact NH1-OE2 3.29Å; R435-E510 PolarHBondContact NH1-OE2 2.53Å; R435-E510 IonicContact NH2-OE1 2.81Å; R435-E510 PolarHBondContact NH2-OE1 2.87Å; R435-E510 VanDerWaalsContact NH2-OE1 3.11Å; R435-E510 IonicContact NH2-OE2 3.39Å; L506-E510 WeakPolarHBondContact CA-OE2 3.3Å; L506-E510 HydrophobicContact CB-CB 4.18Å; L506-E510 HydrophobicContact CD2-CB 4.38Å; T507-E510 PolarHBondContact N-OE2 2.71Å; T507-E510 PolarHBondContact O-N 2.77Å; T507-E510 VanDerWaalsContact O-N 3.15Å; T507-E510 VanDerWaalsContact OG1-CG 3.3Å; T507-E510 WeakPolarHBondContact OG1-CG 3.26Å; T507-E510 PolarHBondContact OG1-N 3.36Å; T507-E510 PolarHBondContact OG1-OE2 2.78Å; E510-R514 VanDerWaalsContact O-CB 3.31Å; E510-R514 WeakPolarHBondContact O-CB 3.11Å; E510-R514 VanDerWaalsContact O-CG 3.29Å; E510-R514 WeakPolarHBondContact O-CG 3.37Å; E510-R514 PolarHBondContact O-N 3.27Å
511V95.2Very high94.6Very high8 Ų862 Ų625%0.04831%0.314CS..Hα-helixtrans-66.4-44.9174.9175.30000111.2L436 C503 L506 T507 Y508 A509 E513 R514 Y515 F519L436-V511 HydrophobicContact CD1-CG2 3.89Å; C503-V511 HydrophobicContact CB-CG2 3.97Å; L506-V511 HydrophobicContact CB-CG2 3.69Å; L506-V511 HydrophobicContact CD1-CG2 4.12Å; T507-V511 WeakPolarHBondContact O-CG2 3.28Å; T507-V511 PolarHBondContact O-N 3.16Å; Y508-V511 PolarHBondContact O-N 2.71Å; A509-V511 VanDerWaalsContact C-N 3.33Å; A509-V511 PolarHBondContact O-N 2.94Å; V511-E513 VanDerWaalsContact C-N 3.29Å; V511-E513 PolarHBondContact O-N 3.34Å; V511-R514 PolarHBondContact O-N 2.88Å; V511-Y515 CarbonylContact O-C 3.19Å; V511-Y515 VanDerWaalsContact O-C 3.3Å; V511-Y515 WeakPolarHBondContact O-CA 3.37Å; V511-Y515 PolarHBondContact O-N 2.93Å; V511-F519 HydrophobicContact CB-CD2 4.5Å; V511-F519 HydrophobicContact CG1-CB 4.39Å; V511-F519 HydrophobicContact CG1-CD2 4.12Å
512L95Very high94.5Very high89 Ų8962.4 Ų62.447%0.46631%0.311SS..Hα-helixtrans-62.2-39.3178179.562.4000111.5Y508 A509 P516 F519Y508-L512 WeakPolarHBondContact O-CB 3.39Å; Y508-L512 PolarHBondContact O-N 3.09Å; A509-L512 PolarHBondContact O-N 3.01Å; L512-P516 WeakPolarHBondContact O-CA 3.21Å; L512-P516 WeakPolarHBondContact O-CB 3.38Å; L512-F519 HydrophobicContact CB-CD2 3.91Å; L512-F519 HydrophobicContact CB-CE2 4.11Å; L512-F519 HydrophobicContact CB-CG 4.27Å; L512-F519 HydrophobicContact CD1-CB 4.18Å; L512-F519 HydrophobicContact CD1-CD1 3.76Å; L512-F519 HydrophobicContact CD1-CD2 4.29Å; L512-F519 HydrophobicContact CD1-CE1 4.16Å; L512-F519 HydrophobicContact CD1-CG 3.83Å
513E97.2Very high94.3Very high158 Ų15861.2 Ų61.274%0.73831%0.305SS*.Hα-helixtrans-69.6-47.4177.9-174-175.3177.500112.3A509 V511A509-E513 WeakPolarHBondContact O-CB 3.24Å; A509-E513 PolarHBondContact O-N 3.29Å; V511-E513 VanDerWaalsContact C-N 3.29Å; V511-E513 PolarHBondContact O-N 3.34Å
514R96.8Very high94.1Very high146 Ų14666.4 Ų66.455%0.55133%0.329SS*.Hα-helixtrans-83-34.7-173.9-66.2-179.2-174.7-167.32.8113.8E510 V511E510-R514 VanDerWaalsContact O-CB 3.31Å; E510-R514 WeakPolarHBondContact O-CB 3.11Å; E510-R514 VanDerWaalsContact O-CG 3.29Å; E510-R514 WeakPolarHBondContact O-CG 3.37Å; E510-R514 PolarHBondContact O-N 3.27Å; V511-R514 PolarHBondContact O-N 2.88Å
515Y95.8Very high93.8Very high79 Ų7966.2 Ų66.231%0.3133%0.33SS..  trans-137.260.2-172.5-49.9-62.1000111.4I502 L506 V511 E517 Q518 F519I502-Y515 HydrophobicContact CB-CE2 4.43Å; I502-Y515 HydrophobicContact CD1-CD1 4.03Å; I502-Y515 HydrophobicContact CD1-CD2 4.24Å; I502-Y515 HydrophobicContact CD1-CE1 3.9Å; I502-Y515 HydrophobicContact CD1-CE2 4.09Å; I502-Y515 HydrophobicContact CD1-CG 4.21Å; I502-Y515 HydrophobicContact CG1-CE2 4.22Å; L506-Y515 HydrophobicContact CD1-CD2 4.37Å; L506-Y515 HydrophobicContact CD1-CE2 3.92Å; V511-Y515 CarbonylContact O-C 3.19Å; V511-Y515 VanDerWaalsContact O-C 3.3Å; V511-Y515 WeakPolarHBondContact O-CA 3.37Å; V511-Y515 PolarHBondContact O-N 2.93Å; Y515-E517 VanDerWaalsContact C-N 3.29Å; Y515-E517 PolarHBondContact O-N 2.92Å; Y515-Q518 WeakPolarHBondContact O-CB 3.3Å; Y515-Q518 PolarHBondContact O-N 3.43Å; Y515-Q518 VanDerWaalsContact O-N 3.09Å; Y515-F519 PolarHBondContact O-N 3.38Å
516P94.8Very high93.8Very high75 Ų7565.8 Ų65.849%0.48732%0.324SS..Hα-helixtrans-59.1-37.4-174.422.2-33.5000113.3L512 F519 H520L512-P516 WeakPolarHBondContact O-CA 3.21Å; L512-P516 WeakPolarHBondContact O-CB 3.38Å; P516-F519 WeakPolarHBondContact O-CB 3.3Å; P516-F519 PolarHBondContact O-N 2.92Å; P516-H520 PolarHBondContact O-N 3.29Å
517E93.8Very high93.7Very high136 Ų13665.8 Ų65.864%0.63632%0.323SS*.Hα-helixtrans-62.2-45.7176.1-173.8-174.2-17400111.5Y515 F519 H520 L521Y515-E517 VanDerWaalsContact C-N 3.29Å; Y515-E517 PolarHBondContact O-N 2.92Å; E517-F519 VanDerWaalsContact C-N 3.32Å; E517-F519 PolarHBondContact O-N 3.27Å; E517-H520 PolarHBondContact O-N 2.67Å; E517-L521 HydrophobicContact CG-CD1 4.06Å; E517-L521 HydrophobicContact CG-CG 4.44Å; E517-L521 WeakPolarHBondContact O-CG 3.47Å; E517-L521 PolarHBondContact O-N 3.17Å
518Q92.6Very high93.6Very high38 Ų3868.2 Ų68.218%0.17833%0.332CS..Hα-helixtrans-64.3-39.4178.5-58.7-55.5-47.900111.4Y515 H520 R522 Y529 P532Y515-Q518 WeakPolarHBondContact O-CB 3.3Å; Y515-Q518 PolarHBondContact O-N 3.43Å; Y515-Q518 VanDerWaalsContact O-N 3.09Å; Q518-H520 VanDerWaalsContact C-N 3.35Å; Q518-H520 PolarHBondContact O-N 3.11Å; Q518-R522 WeakPolarHBondContact O-CB 3.2Å; Q518-R522 PolarHBondContact O-N 3.38Å; Q518-R522 VanDerWaalsContact O-N 3.14Å; Q518-Y529 PolarHBondContact OE1-OH 3.37Å; Q518-P532 HydrophobicContact CG-CG 4.36Å; Q518-P532 VanDerWaalsContact OE1-CG 3.32Å
519F90.5Very high93.8Very high34 Ų3467 Ų6715%0.14933%0.328CS..Hα-helixtrans-59.2-45.9173.7-171.1-79.2000111.3Y508 V511 L512 Y515 P516 E517 D523 R617Y508-F519 HydrophobicContact CD1-CE2 4.26Å; V511-F519 HydrophobicContact CB-CD2 4.5Å; V511-F519 HydrophobicContact CG1-CB 4.39Å; V511-F519 HydrophobicContact CG1-CD2 4.12Å; L512-F519 HydrophobicContact CB-CD2 3.91Å; L512-F519 HydrophobicContact CB-CE2 4.11Å; L512-F519 HydrophobicContact CB-CG 4.27Å; L512-F519 HydrophobicContact CD1-CB 4.18Å; L512-F519 HydrophobicContact CD1-CD1 3.76Å; L512-F519 HydrophobicContact CD1-CD2 4.29Å; L512-F519 HydrophobicContact CD1-CE1 4.16Å; L512-F519 HydrophobicContact CD1-CG 3.83Å; Y515-F519 PolarHBondContact O-N 3.38Å; P516-F519 WeakPolarHBondContact O-CB 3.3Å; P516-F519 PolarHBondContact O-N 2.92Å; E517-F519 VanDerWaalsContact C-N 3.32Å; E517-F519 PolarHBondContact O-N 3.27Å; F519-D523 WeakPolarHBondContact CE1-OD2 3.47Å; F519-D523 PolarHBondContact O-N 3.09Å; F519-R617 VanDerWaalsContact CZ-NH1 3.31Å
520H91.6Very high93.8Very high111 Ų11169.9 Ų69.951%0.51432%0.323SS..Hα-helixtrans-68.5-46.4-179.4-17457.9000113P516 E517 Q518 R522 D523 Q524P516-H520 PolarHBondContact O-N 3.29Å; E517-H520 PolarHBondContact O-N 2.67Å; Q518-H520 VanDerWaalsContact C-N 3.35Å; Q518-H520 PolarHBondContact O-N 3.11Å; H520-R522 VanDerWaalsContact C-N 3.27Å; H520-R522 PolarHBondContact O-N 3.4Å; H520-D523 PolarHBondContact O-N 3.3Å; H520-Q524 PolarHBondContact CD2-NE2 2.99Å; H520-Q524 PolarHBondContact NE2-NE2 3.43Å; H520-Q524 PolarHBondContact O-N 3.39Å; H520-Q524 VanDerWaalsContact O-N 3.15Å
521L92.2Very high93.6Very high65 Ų6568.5 Ų68.534%0.3432%0.316SS..Hα-helixtrans-57.9-40.8178.3-72172.6000111.8E517 D523 Q524 D525 Y529E517-L521 HydrophobicContact CG-CD1 4.06Å; E517-L521 HydrophobicContact CG-CG 4.44Å; E517-L521 WeakPolarHBondContact O-CG 3.47Å; E517-L521 PolarHBondContact O-N 3.17Å; L521-D523 VanDerWaalsContact C-N 3.31Å; L521-D523 PolarHBondContact O-N 3.18Å; L521-Q524 PolarHBondContact O-N 3.34Å; L521-D525 PolarHBondContact O-N 2.99Å; L521-Y529 HydrophobicContact CB-CD2 3.84Å; L521-Y529 HydrophobicContact CB-CE2 4.02Å
522R92.8Very high93.5Very high22 Ų2270.1 Ų70.18%0.08333%0.327CS..Hα-helixtrans-62.1-36.6175.6-177.3-177.4169.9-81.711.3113.2Q518 H520 K526 Y529 Y531Q518-R522 WeakPolarHBondContact O-CB 3.2Å; Q518-R522 PolarHBondContact O-N 3.38Å; Q518-R522 VanDerWaalsContact O-N 3.14Å; H520-R522 VanDerWaalsContact C-N 3.27Å; H520-R522 PolarHBondContact O-N 3.4Å; R522-K526 HydrophobicContact CG-CG 4.42Å; R522-K526 WeakPolarHBondContact O-CA 3.33Å; R522-K526 VanDerWaalsContact O-CB 3.3Å; R522-K526 WeakPolarHBondContact O-CB 3.42Å; R522-K526 PolarHBondContact O-N 3.33Å; R522-Y529 HydrophobicContact CB-CD1 3.55Å; R522-Y529 HydrophobicContact CB-CD2 4.13Å; R522-Y529 HydrophobicContact CB-CE1 3.68Å; R522-Y529 HydrophobicContact CB-CE2 4.23Å; R522-Y529 HydrophobicContact CB-CG 3.78Å; R522-Y529 HydrophobicContact CG-CD1 3.6Å; R522-Y529 HydrophobicContact CG-CE1 3.87Å; R522-Y529 HydrophobicContact CG-CG 4.2Å; R522-Y531 WeakPolarHBondContact CD-OH 3.34Å; R522-Y531 PolarHBondContact NE-OH 3.43Å
523D89.5Confident93.4Very high38 Ų3871.2 Ų71.220%0.20334%0.342CS..Hα-helixtrans-77.3-25.7-178.3-83.92.3000112.4F519 H520 L521 P620F519-D523 WeakPolarHBondContact CE1-OD2 3.47Å; F519-D523 PolarHBondContact O-N 3.09Å; H520-D523 PolarHBondContact O-N 3.3Å; L521-D523 VanDerWaalsContact C-N 3.31Å; L521-D523 PolarHBondContact O-N 3.18Å; D523-P620 HydrophobicContact CB-CG 3.89Å
524Q90.4Very high93.2Very high108 Ų10864 Ų6451%0.50531%0.309SS..Hα-helixtrans-70.6-53.5175-68.9180-1.400112.7H520 L521H520-Q524 PolarHBondContact CD2-NE2 2.99Å; H520-Q524 PolarHBondContact NE2-NE2 3.43Å; H520-Q524 PolarHBondContact O-N 3.39Å; H520-Q524 VanDerWaalsContact O-N 3.15Å; L521-Q524 PolarHBondContact O-N 3.34Å
525D91Very high93.1Very high60 Ų6058.6 Ų58.632%0.32129%0.291SS..  trans-138.979-179.6-170.7-9.6000111L521 F527 H528 Y529L521-D525 PolarHBondContact O-N 2.99Å; D525-F527 PolarHBondContact O-N 2.72Å; D525-F527 VanDerWaalsContact O-N 3.16Å; D525-F527 PolarHBondContact OD1-N 3.4Å; D525-H528 VanDerWaalsContact CG-ND1 3.3Å; D525-H528 PolarHBondContact O-N 3.12Å; D525-H528 IonicContact OD1-CG 3.75Å; D525-H528 PolarHBondContact OD1-N 2.97Å; D525-H528 IonicContact OD1-ND1 3.69Å; D525-H528 PolarHBondContact OD1-ND1 2.89Å; D525-H528 IonicContact OD2-CE1 3.44Å; D525-H528 IonicContact OD2-CG 2.79Å; D525-H528 IonicContact OD2-ND1 3.44Å; D525-H528 PolarHBondContact OD2-ND1 2.99Å; D525-Y529 WeakPolarHBondContact O-CB 3.25Å; D525-Y529 PolarHBondContact O-N 3.3Å
526K94.8Very high93.2Very high8 Ų855 Ų554%0.03528%0.277CS..THydrogen-bonded Turntrans-61.7-24.2-176.3-167.7174.4175.2-1720114.2R522 Y537 P582 Y583R522-K526 HydrophobicContact CG-CG 4.42Å; R522-K526 WeakPolarHBondContact O-CA 3.33Å; R522-K526 VanDerWaalsContact O-CB 3.3Å; R522-K526 WeakPolarHBondContact O-CB 3.42Å; R522-K526 PolarHBondContact O-N 3.33Å; K526-Y537 HydrophobicContact CG-CD2 4.43Å; K526-Y537 HydrophobicContact CG-CE2 4.21Å; K526-Y537 WeakPolarHBondContact O-CD2 3.34Å; K526-P582 HydrophobicContact CB-CB 4.12Å; K526-P582 HydrophobicContact CD-CB 3.71Å; K526-P582 HydrophobicContact CG-CB 3.82Å; K526-P582 PolarHBondContact NZ-O 2.99Å; K526-Y583 HydrophobicContact CB-CE2 4.48Å; K526-Y583 WeakPolarHBondContact CB-OH 3.36Å; K526-Y583 HydrophobicContact CD-CD1 4.41Å; K526-Y583 HydrophobicContact CD-CE1 3.66Å
527F95.2Very high93.3Very high15 Ų1552.2 Ų52.27%0.06626%0.257CS..THydrogen-bonded Turntrans-75.7-50.4-178.6-179.8-98.5000111D525 Y537 E538 V541 W578 M581 P582D525-F527 PolarHBondContact O-N 2.72Å; D525-F527 VanDerWaalsContact O-N 3.16Å; D525-F527 PolarHBondContact OD1-N 3.4Å; F527-Y537 PolarHBondContact O-N 3.42Å; F527-E538 HydrophobicContact CE1-CB 3.87Å; F527-E538 HydrophobicContact CE1-CG 4.18Å; F527-E538 HydrophobicContact CZ-CB 3.97Å; F527-E538 HydrophobicContact CZ-CG 4.32Å; F527-E538 PolarHBondContact O-N 3.18Å; F527-V541 HydrophobicContact CE2-CG2 4.25Å; F527-W578 HydrophobicContact CB-CE3 3.78Å; F527-W578 HydrophobicContact CB-CZ3 4.39Å; F527-W578 HydrophobicContact CD1-CB 3.8Å; F527-W578 HydrophobicContact CD1-CD2 4.22Å; F527-W578 AromaticContact CD1-CE3 3.84Å; F527-W578 HydrophobicContact CD1-CE3 3.84Å; F527-W578 HydrophobicContact CD1-CG 4.26Å; F527-W578 HydrophobicContact CD2-CB 3.77Å; F527-W578 HydrophobicContact CE1-CB 3.74Å; F527-W578 HydrophobicContact CE1-CG 4.34Å; F527-W578 HydrophobicContact CE2-CB 3.71Å; F527-W578 HydrophobicContact CG-CB 3.82Å; F527-W578 AromaticContact CG-CE3 3.93Å; F527-W578 HydrophobicContact CG-CE3 3.93Å; F527-W578 HydrophobicContact CZ-CB 3.69Å; F527-M581 HydrophobicContact CD2-SD 4.26Å; F527-M581 HydrophobicContact CE2-CE 4.2Å; F527-M581 HydrophobicContact CE2-SD 3.82Å; F527-P582 HydrophobicContact CB-CG 3.86Å; F527-P582 HydrophobicContact CD2-CG 4.15Å
528H93.5Very high93.4Very high80 Ų8050.6 Ų50.637%0.3725%0.25SC..THydrogen-bonded Turntrans-85.8-18.2-177.8-56.3104.1000113.5D525 R530 E538 W578D525-H528 VanDerWaalsContact CG-ND1 3.3Å; D525-H528 PolarHBondContact O-N 3.12Å; D525-H528 IonicContact OD1-CG 3.75Å; D525-H528 PolarHBondContact OD1-N 2.97Å; D525-H528 IonicContact OD1-ND1 3.69Å; D525-H528 PolarHBondContact OD1-ND1 2.89Å; D525-H528 IonicContact OD2-CE1 3.44Å; D525-H528 IonicContact OD2-CG 2.79Å; D525-H528 IonicContact OD2-ND1 3.44Å; D525-H528 PolarHBondContact OD2-ND1 2.99Å; H528-R530 PolarHBondContact O-N 2.91Å; H528-E538 IonicContact CD2-OE2 2.88Å; H528-W578 AromaticContact CE1-CE3 3.64Å; H528-W578 AromaticContact CE1-CH2 3.7Å; H528-W578 AromaticContact CE1-CZ3 3.43Å; H528-W578 VanDerWaalsContact CE1-CZ3 3.43Å; H528-W578 WeakPolarHBondContact CE1-CZ3 3.25Å; H528-W578 AromaticContact ND1-CZ3 3.78Å
529Y94.7Very high93.6Very high24 Ų2450.5 Ų50.59%0.09425%0.25CS..  trans-59.9124.5174.5170.2-94.4000111Q518 L521 R522 D525 Y531 S536Q518-Y529 PolarHBondContact OE1-OH 3.37Å; L521-Y529 HydrophobicContact CB-CD2 3.84Å; L521-Y529 HydrophobicContact CB-CE2 4.02Å; R522-Y529 HydrophobicContact CB-CD1 3.55Å; R522-Y529 HydrophobicContact CB-CD2 4.13Å; R522-Y529 HydrophobicContact CB-CE1 3.68Å; R522-Y529 HydrophobicContact CB-CE2 4.23Å; R522-Y529 HydrophobicContact CB-CG 3.78Å; R522-Y529 HydrophobicContact CG-CD1 3.6Å; R522-Y529 HydrophobicContact CG-CE1 3.87Å; R522-Y529 HydrophobicContact CG-CG 4.2Å; D525-Y529 WeakPolarHBondContact O-CB 3.25Å; D525-Y529 PolarHBondContact O-N 3.3Å; Y529-Y531 AromaticContact CE1-CD1 3.68Å; Y529-Y531 HydrophobicContact CE1-CD1 3.68Å; Y529-Y531 HydrophobicContact CE1-CD2 4.05Å; Y529-Y531 AromaticContact CE1-CE1 3.83Å; Y529-Y531 HydrophobicContact CE1-CE1 3.83Å; Y529-Y531 HydrophobicContact CE1-CE2 4.21Å; Y529-Y531 AromaticContact CE1-CG 3.79Å; Y529-Y531 HydrophobicContact CE1-CG 3.79Å; Y529-S536 VanDerWaalsContact O-CA 3.31Å; Y529-S536 WeakPolarHBondContact O-CA 3.48Å; Y529-S536 WeakPolarHBondContact O-CB 3.22Å
530R95.8Very high93.9Very high130 Ų13048.9 Ų48.949%0.49124%0.243SC..  trans-106.3126.5175.2-170.5-173.5-171.9113.514.3109.6H528 G534 D539H528-R530 PolarHBondContact O-N 2.91Å; R530-G534 PolarHBondContact NE-O 3.1Å; R530-G534 PolarHBondContact NH2-O 3.36Å; R530-D539 IonicContact CZ-OD1 3.74Å; R530-D539 IonicContact CZ-OD2 3.66Å; R530-D539 IonicContact NE-OD2 2.69Å; R530-D539 PolarHBondContact NE-OD2 3.01Å; R530-D539 VanDerWaalsContact NH1-CG 3.27Å; R530-D539 IonicContact NH1-OD1 3.14Å; R530-D539 PolarHBondContact NH1-OD1 2.91Å; R530-D539 IonicContact NH1-OD2 3.71Å; R530-D539 PolarHBondContact NH1-OD2 3.09Å; R530-D539 IonicContact NH2-OD1 3.77Å; R530-D539 IonicContact NH2-OD2 3.11Å; R530-D539 PolarHBondContact NH2-OD2 3.49Å
531Y92.3Very high94.2Very high15 Ų1544 Ų446%0.05922%0.221CC..  trans-61.2135.7170.2-70.3-85.1000110.3I498 A500 C503 R522 Y529 S533 G534 E535I498-Y531 HydrophobicContact CD1-CE2 4.49Å; A500-Y531 HydrophobicContact CB-CD1 4.4Å; A500-Y531 HydrophobicContact CB-CE1 4.37Å; A500-Y531 HydrophobicContact CB-CE2 4.46Å; A500-Y531 HydrophobicContact CB-CG 4.48Å; A500-Y531 WeakPolarHBondContact O-CB 3.36Å; A500-Y531 WeakPolarHBondContact O-CD1 3.36Å; C503-Y531 HydrophobicContact CB-CD1 4.04Å; C503-Y531 HydrophobicContact CB-CE1 4.08Å; R522-Y531 WeakPolarHBondContact CD-OH 3.34Å; R522-Y531 PolarHBondContact NE-OH 3.43Å; Y529-Y531 AromaticContact CE1-CD1 3.68Å; Y529-Y531 HydrophobicContact CE1-CD1 3.68Å; Y529-Y531 HydrophobicContact CE1-CD2 4.05Å; Y529-Y531 AromaticContact CE1-CE1 3.83Å; Y529-Y531 HydrophobicContact CE1-CE1 3.83Å; Y529-Y531 HydrophobicContact CE1-CE2 4.21Å; Y529-Y531 AromaticContact CE1-CG 3.79Å; Y529-Y531 HydrophobicContact CE1-CG 3.79Å; Y531-S533 PolarHBondContact O-N 3.4Å; Y531-G534 CarbonylContact O-C 3.3Å; Y531-G534 WeakPolarHBondContact O-CA 3.2Å; Y531-G534 PolarHBondContact O-N 2.92Å; Y531-E535 WeakPolarHBondContact CD2-O 3.43Å; Y531-E535 PolarHBondContact N-O 3.41Å
532P92.8Very high94.3Very high42 Ų4244 Ų4427%0.27323%0.23SC..THydrogen-bonded Turntrans-56.8128.1172.4-25.534.2000110.9G501 I502 Q518 G534G501-P532 WeakPolarHBondContact CA-O 3.27Å; I502-P532 HydrophobicContact CD1-CB 3.86Å; I502-P532 HydrophobicContact CD1-CG 3.86Å; I502-P532 HydrophobicContact CG1-CB 4.06Å; I502-P532 HydrophobicContact CG1-CG 4.28Å; I502-P532 HydrophobicContact CG2-CB 4.41Å; I502-P532 PolarHBondContact N-O 3.24Å; I502-P532 VanDerWaalsContact N-O 3.09Å; Q518-P532 HydrophobicContact CG-CG 4.36Å; Q518-P532 VanDerWaalsContact OE1-CG 3.32Å; P532-G534 PolarHBondContact O-N 3.46Å
533S92.7Very high94.5Very high112 Ų11245.5 Ų45.578%0.78324%0.236SC*.THydrogen-bonded Turntrans61.415.7-171.6-48.30000115.6Y531Y531-S533 PolarHBondContact O-N 3.4Å
534G93.4Very high94.9Very high5 Ų543.7 Ų43.75%0.05223%0.226CC..SBendtrans-130.6-147.4178.200000112.8D499 R530 Y531 P532D499-G534 WeakPolarHBondContact O-CA 3.27Å; R530-G534 PolarHBondContact NE-O 3.1Å; R530-G534 PolarHBondContact NH2-O 3.36Å; Y531-G534 CarbonylContact O-C 3.3Å; Y531-G534 WeakPolarHBondContact O-CA 3.2Å; Y531-G534 PolarHBondContact O-N 2.92Å; P532-G534 PolarHBondContact O-N 3.46Å
535E95.8Very high95.2Very high33 Ų3339.7 Ų39.715%0.15421%0.208CC..  trans-117.6157.9-172.9-68.1177.4131.700112.5I498 D499 Y531 D539 R543I498-E535 HydrophobicContact CG1-CB 3.87Å; D499-E535 HydrophobicContact CB-CB 4.43Å; D499-E535 HydrophobicContact CB-CG 3.99Å; D499-E535 PolarHBondContact N-OE2 3.31Å; D499-E535 PolarHBondContact O-N 2.94Å; Y531-E535 WeakPolarHBondContact CD2-O 3.43Å; Y531-E535 PolarHBondContact N-O 3.41Å; E535-D539 WeakPolarHBondContact CA-OD2 3.47Å; E535-D539 HydrophobicContact CB-CB 4.1Å; E535-D539 HydrophobicContact CG-CB 4.33Å; E535-R543 IonicContact OE1-CZ 2.78Å; E535-R543 IonicContact OE1-NE 2.69Å; E535-R543 PolarHBondContact OE1-NE 3Å; E535-R543 IonicContact OE1-NH2 2.89Å; E535-R543 PolarHBondContact OE1-NH2 2.81Å; E535-R543 IonicContact OE2-CZ 3.56Å; E535-R543 IonicContact OE2-NE 2.82Å; E535-R543 IonicContact OE2-NH2 3.6Å; E535-R543 PolarHBondContact OE2-NH2 3.47Å
536S96.2Very high95.5Very high4 Ų439.7 Ų39.73%0.02821%0.211CC..  trans-99.8174.2160.368.60000111.3Y529 E538 D539 L540Y529-S536 VanDerWaalsContact O-CA 3.31Å; Y529-S536 WeakPolarHBondContact O-CA 3.48Å; Y529-S536 WeakPolarHBondContact O-CB 3.22Å; S536-E538 PolarHBondContact O-N 3.4Å; S536-E538 WeakPolarHBondContact OG-CB 3.42Å; S536-E538 PolarHBondContact OG-N 3.13Å; S536-D539 PolarHBondContact N-OD2 2.62Å; S536-D539 PolarHBondContact O-N 3.07Å; S536-D539 PolarHBondContact OG-N 3.16Å; S536-D539 PolarHBondContact OG-OD2 3.29Å; S536-L540 WeakPolarHBondContact O-CB 3.43Å; S536-L540 PolarHBondContact O-N 2.85Å
537Y97.7Very high95.6Very high16 Ų1639.3 Ų39.36%0.06321%0.209CC..Hα-helixtrans-65.1-30.7168.2-90-89.5000111.7I498 K526 F527 L540 V541 A564 R567 M581 P582I498-Y537 HydrophobicContact CD1-CD2 4.27Å; I498-Y537 HydrophobicContact CD1-CE2 4.48Å; K526-Y537 HydrophobicContact CG-CD2 4.43Å; K526-Y537 HydrophobicContact CG-CE2 4.21Å; K526-Y537 WeakPolarHBondContact O-CD2 3.34Å; F527-Y537 PolarHBondContact O-N 3.42Å; Y537-L540 HydrophobicContact CD1-CD2 4.44Å; Y537-L540 WeakPolarHBondContact O-CB 3.43Å; Y537-L540 PolarHBondContact O-N 3.39Å; Y537-V541 WeakPolarHBondContact O-CG2 3.24Å; Y537-V541 PolarHBondContact O-N 3.03Å; Y537-A564 HydrophobicContact CE1-CB 3.81Å; Y537-R567 HydrophobicContact CE1-CB 4.33Å; Y537-R567 WeakPolarHBondContact OH-CD 3.46Å; Y537-R567 PolarHBondContact OH-NH1 2.77Å; Y537-R567 VanDerWaalsContact OH-NH1 3.12Å; Y537-M581 HydrophobicContact CD1-SD 4.46Å; Y537-P582 HydrophobicContact CD1-CB 4.47Å; Y537-P582 HydrophobicContact CD1-CG 4.34Å; Y537-P582 HydrophobicContact CD2-CB 3.95Å; Y537-P582 HydrophobicContact CD2-CG 4.06Å; Y537-P582 HydrophobicContact CE1-CB 4.31Å; Y537-P582 HydrophobicContact CE2-CB 3.75Å; Y537-P582 HydrophobicContact CE2-CG 4.36Å; Y537-P582 HydrophobicContact CG-CB 4.3Å; Y537-P582 HydrophobicContact CG-CG 4.04Å
538E96.3Very high95.6Very high103 Ų10338.6 Ų38.648%0.48121%0.206SC..Hα-helixtrans-65.8-45.5174-171.2178.5-162.200111.9F527 H528 S536 L540 V541 A542F527-E538 HydrophobicContact CE1-CB 3.87Å; F527-E538 HydrophobicContact CE1-CG 4.18Å; F527-E538 HydrophobicContact CZ-CB 3.97Å; F527-E538 HydrophobicContact CZ-CG 4.32Å; F527-E538 PolarHBondContact O-N 3.18Å; H528-E538 IonicContact CD2-OE2 2.88Å; S536-E538 PolarHBondContact O-N 3.4Å; S536-E538 WeakPolarHBondContact OG-CB 3.42Å; S536-E538 PolarHBondContact OG-N 3.13Å; E538-L540 PolarHBondContact O-N 2.8Å; E538-V541 PolarHBondContact O-N 3.21Å; E538-A542 PolarHBondContact O-N 3.17Å; E538-A542 VanDerWaalsContact O-N 3.13Å
539D96.7Very high95.7Very high36 Ų3634.8 Ų34.819%0.19319%0.189CC..Hα-helixtrans-57.9-42.3172.2-68.3-53.7000110.5R530 E535 S536 A542 R543R530-D539 IonicContact CZ-OD1 3.74Å; R530-D539 IonicContact CZ-OD2 3.66Å; R530-D539 IonicContact NE-OD2 2.69Å; R530-D539 PolarHBondContact NE-OD2 3.01Å; R530-D539 VanDerWaalsContact NH1-CG 3.27Å; R530-D539 IonicContact NH1-OD1 3.14Å; R530-D539 PolarHBondContact NH1-OD1 2.91Å; R530-D539 IonicContact NH1-OD2 3.71Å; R530-D539 PolarHBondContact NH1-OD2 3.09Å; R530-D539 IonicContact NH2-OD1 3.77Å; R530-D539 IonicContact NH2-OD2 3.11Å; R530-D539 PolarHBondContact NH2-OD2 3.49Å; E535-D539 WeakPolarHBondContact CA-OD2 3.47Å; E535-D539 HydrophobicContact CB-CB 4.1Å; E535-D539 HydrophobicContact CG-CB 4.33Å; S536-D539 PolarHBondContact N-OD2 2.62Å; S536-D539 PolarHBondContact O-N 3.07Å; S536-D539 PolarHBondContact OG-N 3.16Å; S536-D539 PolarHBondContact OG-OD2 3.29Å; D539-A542 PolarHBondContact O-N 3.3Å; D539-R543 WeakPolarHBondContact O-CB 3.14Å; D539-R543 PolarHBondContact O-N 2.88Å
540L97.4Very high95.7Very high0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-63.7-43.5178.7179.460.8000112I498 S536 Y537 E538 A542 R543 V544 A564 V565 C568I498-L540 HydrophobicContact CB-CD2 4.29Å; S536-L540 WeakPolarHBondContact O-CB 3.43Å; S536-L540 PolarHBondContact O-N 2.85Å; Y537-L540 HydrophobicContact CD1-CD2 4.44Å; Y537-L540 WeakPolarHBondContact O-CB 3.43Å; Y537-L540 PolarHBondContact O-N 3.39Å; E538-L540 PolarHBondContact O-N 2.8Å; L540-A542 VanDerWaalsContact C-N 3.34Å; L540-A542 PolarHBondContact O-N 3.25Å; L540-R543 VanDerWaalsContact CD1-CZ 3.42Å; L540-R543 VanDerWaalsContact CD1-NH2 3.31Å; L540-R543 CarbonylContact O-C 3.17Å; L540-R543 PolarHBondContact O-N 3.47Å; L540-R543 VanDerWaalsContact O-N 3.12Å; L540-V544 HydrophobicContact CD1-CG1 3.8Å; L540-V544 HydrophobicContact CG-CG1 4.35Å; L540-V544 WeakPolarHBondContact O-CG1 3.14Å; L540-V544 VanDerWaalsContact O-CG2 3.25Å; L540-V544 WeakPolarHBondContact O-CG2 3.46Å; L540-V544 PolarHBondContact O-N 2.87Å; L540-A564 HydrophobicContact CD2-CB 3.66Å; L540-V565 HydrophobicContact CD1-CG2 4.09Å; L540-C568 VanDerWaalsContact CD2-SG 3.55Å
541V97.3Very high95.6Very high8 Ų830.2 Ų30.25%0.04817%0.174CC..Hα-helixtrans-56.1-48.1174.6163.80000110.7W230 F527 Y537 E538 R543 V544 E545 C568 M581W230-V541 HydrophobicContact CD2-CG1 4.21Å; W230-V541 HydrophobicContact CE3-CG1 4.22Å; W230-V541 HydrophobicContact CH2-CG1 3.9Å; W230-V541 WeakPolarHBondContact CH2-O 3.48Å; W230-V541 HydrophobicContact CZ2-CB 4.4Å; W230-V541 HydrophobicContact CZ2-CG1 3.92Å; W230-V541 HydrophobicContact CZ2-CG2 4.32Å; W230-V541 HydrophobicContact CZ3-CG1 4.07Å; W230-V541 WeakPolarHBondContact O-CG1 3.48Å; F527-V541 HydrophobicContact CE2-CG2 4.25Å; Y537-V541 WeakPolarHBondContact O-CG2 3.24Å; Y537-V541 PolarHBondContact O-N 3.03Å; E538-V541 PolarHBondContact O-N 3.21Å; V541-R543 VanDerWaalsContact C-N 3.28Å; V541-R543 PolarHBondContact O-N 3Å; V541-V544 PolarHBondContact O-N 2.67Å; V541-E545 PolarHBondContact O-N 3.14Å; V541-E545 VanDerWaalsContact O-N 3.09Å; V541-C568 HydrophobicContact CG2-CB 4.45Å; V541-M581 HydrophobicContact CG2-CE 3.82Å; V541-M581 HydrophobicContact CG2-SD 3.63Å
542A94.6Very high95.6Very high65 Ų6529.6 Ų29.654%0.53717%0.171SC..Hα-helixtrans-61.5-37.7176.900000112.1E538 D539 L540E538-A542 PolarHBondContact O-N 3.17Å; E538-A542 VanDerWaalsContact O-N 3.13Å; D539-A542 PolarHBondContact O-N 3.3Å; L540-A542 VanDerWaalsContact C-N 3.34Å; L540-A542 PolarHBondContact O-N 3.25Å
543R96.7Very high95.5Very high54 Ų5433.6 Ų33.620%0.20418%0.181CC..Hα-helixtrans-70.9-35.8177.4176.3165.860.290.3-22.9113.5A494 D496 E497 E535 D539 L540 V541 P546A494-R543 VanDerWaalsContact C-NH1 3.34Å; A494-R543 HydrophobicContact CB-CG 4.34Å; A494-R543 PolarHBondContact O-NH1 3.31Å; D496-R543 PolarHBondContact O-NH1 2.88Å; D496-R543 PolarHBondContact O-NH2 3Å; E497-R543 PolarHBondContact O-NH2 3.38Å; E535-R543 IonicContact OE1-CZ 2.78Å; E535-R543 IonicContact OE1-NE 2.69Å; E535-R543 PolarHBondContact OE1-NE 3Å; E535-R543 IonicContact OE1-NH2 2.89Å; E535-R543 PolarHBondContact OE1-NH2 2.81Å; E535-R543 IonicContact OE2-CZ 3.56Å; E535-R543 IonicContact OE2-NE 2.82Å; E535-R543 IonicContact OE2-NH2 3.6Å; E535-R543 PolarHBondContact OE2-NH2 3.47Å; D539-R543 WeakPolarHBondContact O-CB 3.14Å; D539-R543 PolarHBondContact O-N 2.88Å; L540-R543 VanDerWaalsContact CD1-CZ 3.42Å; L540-R543 VanDerWaalsContact CD1-NH2 3.31Å; L540-R543 CarbonylContact O-C 3.17Å; L540-R543 PolarHBondContact O-N 3.47Å; L540-R543 VanDerWaalsContact O-N 3.12Å; V541-R543 VanDerWaalsContact C-N 3.28Å; V541-R543 PolarHBondContact O-N 3Å; R543-P546 WeakPolarHBondContact O-CD 3.38Å
544V97.9Very high95.3Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-88.1-6.3-178.3-61.30000113.5W230 A494 L540 V541 V547 I548 V565 C568 L569W230-V544 HydrophobicContact CH2-CG2 3.8Å; W230-V544 HydrophobicContact CZ2-CG2 3.65Å; A494-V544 WeakPolarHBondContact O-CG1 3.44Å; L540-V544 HydrophobicContact CD1-CG1 3.8Å; L540-V544 HydrophobicContact CG-CG1 4.35Å; L540-V544 WeakPolarHBondContact O-CG1 3.14Å; L540-V544 VanDerWaalsContact O-CG2 3.25Å; L540-V544 WeakPolarHBondContact O-CG2 3.46Å; L540-V544 PolarHBondContact O-N 2.87Å; V541-V544 PolarHBondContact O-N 2.67Å; V544-V547 WeakPolarHBondContact O-CA 3.41Å; V544-V547 VanDerWaalsContact O-CB 3.28Å; V544-V547 WeakPolarHBondContact O-CB 3.49Å; V544-V547 PolarHBondContact O-N 2.89Å; V544-I548 PolarHBondContact O-N 3.5Å; V544-I548 VanDerWaalsContact O-N 3.08Å; V544-V565 HydrophobicContact CG1-CG1 4.19Å; V544-C568 HydrophobicContact CG2-CB 3.91Å; V544-L569 HydrophobicContact CB-CD2 4.33Å; V544-L569 HydrophobicContact CG2-CD2 4.49Å
545E96.9Very high95.2Very high23 Ų2333.9 Ų33.911%0.10717%0.168CC..Hα-helixtrans-50.7-46.9176.5171.5174.9-160.900113.5Y227 W230 R405 V541 V547 I548 M549Y227-E545 HydrophobicContact CE2-CG 4.48Å; Y227-E545 WeakPolarHBondContact CE2-OE1 3.01Å; Y227-E545 PolarHBondContact OH-OE1 3.48Å; W230-E545 HydrophobicContact CH2-CB 4.23Å; W230-E545 HydrophobicContact CZ3-CB 4.01Å; W230-E545 HydrophobicContact CZ3-CG 4.47Å; R405-E545 IonicContact CZ-OE1 2.97Å; R405-E545 IonicContact CZ-OE2 3.74Å; R405-E545 IonicContact NH1-OE1 3.29Å; R405-E545 IonicContact NH1-OE2 3.51Å; R405-E545 PolarHBondContact NH1-OE2 2.79Å; R405-E545 IonicContact NH2-OE1 3.53Å; R405-E545 PolarHBondContact NH2-OE1 3.3Å; R405-E545 IonicContact NH2-OE2 2.61Å; R405-E545 PolarHBondContact NH2-OE2 3.5Å; V541-E545 PolarHBondContact O-N 3.14Å; V541-E545 VanDerWaalsContact O-N 3.09Å; E545-V547 PolarHBondContact O-N 3.32Å; E545-I548 WeakPolarHBondContact O-CB 3.48Å; E545-I548 PolarHBondContact O-N 3.45Å; E545-I548 VanDerWaalsContact O-N 3.08Å; E545-M549 HydrophobicContact CG-CE 4.26Å; E545-M549 PolarHBondContact O-N 2.93Å
546P96Very high95.2Very high60 Ų6033.3 Ų33.339%0.3917%0.166SC..Hα-helixtrans-60.2-32.5176.4-24.635.7000113.2R543 M549 E550R543-P546 WeakPolarHBondContact O-CD 3.38Å; P546-M549 PolarHBondContact O-N 2.6Å; P546-E550 PolarHBondContact O-N 2.83Å; P546-E550 VanDerWaalsContact O-N 3.09Å
547V97.6Very high95.3Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-67.3-42175.1-177.90000110.4W468 W492 A494 L495 V544 E545 M549 E550 L551 L569W468-V547 HydrophobicContact CE3-CG1 4.26Å; W468-V547 HydrophobicContact CZ3-CG1 4.17Å; W492-V547 HydrophobicContact CE3-CG2 3.97Å; W492-V547 HydrophobicContact CZ3-CG2 4.35Å; A494-V547 HydrophobicContact CB-CG2 3.85Å; L495-V547 HydrophobicContact CD2-CG1 3.93Å; L495-V547 HydrophobicContact CD2-CG2 4.15Å; L495-V547 HydrophobicContact CG-CG2 4.39Å; V544-V547 WeakPolarHBondContact O-CA 3.41Å; V544-V547 VanDerWaalsContact O-CB 3.28Å; V544-V547 WeakPolarHBondContact O-CB 3.49Å; V544-V547 PolarHBondContact O-N 2.89Å; E545-V547 PolarHBondContact O-N 3.32Å; V547-M549 VanDerWaalsContact C-N 3.31Å; V547-M549 PolarHBondContact O-N 2.87Å; V547-E550 PolarHBondContact O-N 2.97Å; V547-L551 HydrophobicContact CG1-CD1 4.13Å; V547-L551 HydrophobicContact CG1-CG 4.29Å; V547-L551 WeakPolarHBondContact O-CB 3.42Å; V547-L551 WeakPolarHBondContact O-CG 3.43Å; V547-L551 PolarHBondContact O-N 2.99Å; V547-L569 HydrophobicContact CG1-CD2 4.17Å
548I95.9Very high95.3Very high0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-59.9-43.1174.5-66.2-61.7000110.9W230 V544 E545 E550 L551 E552 L569 Y572 F573W230-I548 HydrophobicContact CH2-CB 4.45Å; W230-I548 HydrophobicContact CH2-CG1 3.59Å; W230-I548 HydrophobicContact CZ2-CD1 4.45Å; W230-I548 HydrophobicContact CZ2-CG1 3.82Å; W230-I548 HydrophobicContact CZ3-CG1 4.05Å; V544-I548 PolarHBondContact O-N 3.5Å; V544-I548 VanDerWaalsContact O-N 3.08Å; E545-I548 WeakPolarHBondContact O-CB 3.48Å; E545-I548 PolarHBondContact O-N 3.45Å; E545-I548 VanDerWaalsContact O-N 3.08Å; I548-E550 VanDerWaalsContact C-N 3.33Å; I548-E550 PolarHBondContact O-N 3.44Å; I548-L551 PolarHBondContact O-N 3.15Å; I548-E552 HydrophobicContact CG2-CG 4.46Å; I548-E552 WeakPolarHBondContact O-CB 3.26Å; I548-E552 WeakPolarHBondContact O-CG 3.48Å; I548-E552 PolarHBondContact O-N 3.03Å; I548-L569 HydrophobicContact CD1-CD2 3.51Å; I548-L569 HydrophobicContact CG1-CD2 4.15Å; I548-Y572 HydrophobicContact CD1-CD1 3.7Å; I548-Y572 HydrophobicContact CD1-CE1 4.49Å; I548-Y572 HydrophobicContact CD1-CG 3.73Å; I548-Y572 HydrophobicContact CG1-CG 4.29Å; I548-Y572 HydrophobicContact CG2-CD1 3.77Å; I548-Y572 HydrophobicContact CG2-CD2 3.89Å; I548-Y572 HydrophobicContact CG2-CE1 3.56Å; I548-Y572 HydrophobicContact CG2-CE2 3.68Å; I548-Y572 HydrophobicContact CG2-CG 3.93Å; I548-F573 HydrophobicContact CD1-CE2 4.29Å
549M95.1Very high95.4Very high1 Ų127.4 Ų27.41%0.00514%0.139CC..Hα-helixtrans-61.7-42.8178.8-65.5-50.8113.800111.7Y227 Y408 F409 N412 E545 P546 V547 E552 R553Y227-M549 HydrophobicContact CD2-CE 3.61Å; Y227-M549 HydrophobicContact CE2-CE 3.3Å; Y227-M549 HydrophobicContact CE2-SD 4.49Å; Y408-M549 HydrophobicContact CD1-CG 4.44Å; Y408-M549 HydrophobicContact CD1-SD 4.36Å; Y408-M549 HydrophobicContact CE1-CG 3.5Å; Y408-M549 HydrophobicContact CE1-SD 3.95Å; Y408-M549 WeakPolarHBondContact OH-CG 3.25Å; F409-M549 HydrophobicContact CD2-CE 3.85Å; F409-M549 HydrophobicContact CD2-SD 3.85Å; F409-M549 HydrophobicContact CE2-CE 4.3Å; N412-M549 HydrophobicContact CB-CB 4.35Å; N412-M549 HydrophobicContact CB-SD 4.23Å; E545-M549 HydrophobicContact CG-CE 4.26Å; E545-M549 PolarHBondContact O-N 2.93Å; P546-M549 PolarHBondContact O-N 2.6Å; V547-M549 VanDerWaalsContact C-N 3.31Å; V547-M549 PolarHBondContact O-N 2.87Å; M549-E552 PolarHBondContact O-N 3.35Å; M549-R553 WeakPolarHBondContact O-CG 3.46Å; M549-R553 PolarHBondContact O-N 3.15Å
550E94.8Very high95.5Very high57 Ų5725.7 Ų25.727%0.26613%0.13SC..Hα-helixtrans-68.4-42.9175.3-67.1-60.7148.200111.7W468 W492 P546 V547 I548 E552 R553 Q554W468-E550 HydrophobicContact CH2-CB 3.47Å; W468-E550 VanDerWaalsContact CH2-CB 3.47Å; W468-E550 HydrophobicContact CZ2-CB 4.3Å; W468-E550 HydrophobicContact CZ3-CB 4.02Å; W492-E550 HydrophobicContact CH2-CB 4.45Å; W492-E550 HydrophobicContact CH2-CG 3.89Å; W492-E550 HydrophobicContact CZ3-CG 4.49Å; P546-E550 PolarHBondContact O-N 2.83Å; P546-E550 VanDerWaalsContact O-N 3.09Å; V547-E550 PolarHBondContact O-N 2.97Å; I548-E550 VanDerWaalsContact C-N 3.33Å; I548-E550 PolarHBondContact O-N 3.44Å; E550-E552 PolarHBondContact O-N 3.47Å; E550-E552 VanDerWaalsContact O-N 3.13Å; E550-R553 WeakPolarHBondContact O-CA 3.3Å; E550-R553 WeakPolarHBondContact O-CB 3.39Å; E550-R553 PolarHBondContact O-N 2.67Å; E550-Q554 WeakPolarHBondContact O-CG 3.43Å; E550-Q554 PolarHBondContact O-N 3.22Å; E550-Q554 PolarHBondContact OE2-NE2 3.48Å; E550-Q554 VanDerWaalsContact OE2-NE2 3.12Å
551L94.6Very high95.6Very high1 Ų125.7 Ų25.71%0.00513%0.13CC..Hα-helixtrans-60.5-25173.8-69.9176.7000113.3R418 I420 W468 V547 I548 V557 V559 L569 F573R418-L551 PolarHBondContact NE-O 3.13Å; R418-L551 PolarHBondContact NH2-O 3.28Å; I420-L551 HydrophobicContact CD1-CB 4.27Å; I420-L551 HydrophobicContact CG2-CD2 4.11Å; W468-L551 HydrophobicContact CE3-CD2 4.01Å; W468-L551 HydrophobicContact CE3-CG 4.49Å; W468-L551 HydrophobicContact CH2-CD2 4.02Å; W468-L551 HydrophobicContact CH2-CG 4.4Å; W468-L551 HydrophobicContact CZ3-CD2 3.43Å; W468-L551 VanDerWaalsContact CZ3-CD2 3.43Å; W468-L551 HydrophobicContact CZ3-CG 3.69Å; V547-L551 HydrophobicContact CG1-CD1 4.13Å; V547-L551 HydrophobicContact CG1-CG 4.29Å; V547-L551 WeakPolarHBondContact O-CB 3.42Å; V547-L551 WeakPolarHBondContact O-CG 3.43Å; V547-L551 PolarHBondContact O-N 2.99Å; I548-L551 PolarHBondContact O-N 3.15Å; L551-V557 HydrophobicContact CD2-CB 4.06Å; L551-V557 HydrophobicContact CD2-CG1 3.9Å; L551-V557 HydrophobicContact CD2-CG2 4.43Å; L551-V559 HydrophobicContact CD2-CG2 4.05Å; L551-L569 HydrophobicContact CD1-CD1 4.39Å; L551-L569 HydrophobicContact CD1-CD2 4.36Å; L551-F573 HydrophobicContact CB-CE2 4.39Å; L551-F573 HydrophobicContact CB-CZ 3.89Å; L551-F573 HydrophobicContact CD1-CE2 3.84Å; L551-F573 HydrophobicContact CD1-CZ 4.2Å
552E92Very high95.7Very high1 Ų125.3 Ų25.31%0.00513%0.128CC..Hα-helixtrans-78.8-15.7172.5-78-72.1-164.300114.3K223 R226 N412 H414 R418 I548 M549 E550 Y572K223-E552 IonicContact NZ-OE1 2.72Å; K223-E552 IonicContact NZ-OE2 3.82Å; K223-E552 PolarHBondContact NZ-OE2 3.29Å; R226-E552 IonicContact NH2-OE1 3.64Å; R226-E552 PolarHBondContact NH2-OE1 2.87Å; N412-E552 CarbonylContact O-C 3.55Å; N412-E552 VanDerWaalsContact O-O 3.06Å; H414-E552 PolarHBondContact CD2-O 3.4Å; H414-E552 PolarHBondContact N-O 3.05Å; H414-E552 PolarHBondContact NE2-O 3.4Å; R418-E552 IonicContact NH2-OE2 3.94Å; R418-E552 PolarHBondContact NH2-OE2 2.94Å; I548-E552 HydrophobicContact CG2-CG 4.46Å; I548-E552 WeakPolarHBondContact O-CB 3.26Å; I548-E552 WeakPolarHBondContact O-CG 3.48Å; I548-E552 PolarHBondContact O-N 3.03Å; M549-E552 PolarHBondContact O-N 3.35Å; E550-E552 PolarHBondContact O-N 3.47Å; E550-E552 VanDerWaalsContact O-N 3.13Å; E552-Y572 HydrophobicContact CG-CE1 4.12Å; E552-Y572 WeakPolarHBondContact OE1-CE1 3.38Å; E552-Y572 PolarHBondContact OE1-OH 2.87Å
553R89.4Confident95.8Very high126 Ų12623.1 Ų23.148%0.47511%0.106SC..Hα-helixtrans-99.1-31.9177.7-68.6174.874.194.85.6114N412 H414 M549 E550N412-R553 HydrophobicContact CB-CG 3.97Å; N412-R553 WeakPolarHBondContact O-CG 3.42Å; N412-R553 PolarHBondContact O-N 2.69Å; N412-R553 VanDerWaalsContact OD1-CD 3.3Å; N412-R553 WeakPolarHBondContact OD1-CD 3.43Å; N412-R553 PolarHBondContact OD1-NH1 2.62Å; H414-R553 PolarHBondContact CD2-O 3.4Å; H414-R553 VanDerWaalsContact CD2-O 3.29Å; M549-R553 WeakPolarHBondContact O-CG 3.46Å; M549-R553 PolarHBondContact O-N 3.15Å; E550-R553 WeakPolarHBondContact O-CA 3.3Å; E550-R553 WeakPolarHBondContact O-CB 3.39Å; E550-R553 PolarHBondContact O-N 2.67Å
554Q89.8Confident95.9Very high39 Ų3920.7 Ų20.718%0.18210%0.098CC..  trans-94.7155.7-170.2-54.1-68.3-35.800111.5H414 R418 W468 E550 V557H414-Q554 PolarHBondContact NE2-O 3.41Å; H414-Q554 VanDerWaalsContact NE2-O 3.13Å; R418-Q554 WeakPolarHBondContact CD-O 3.18Å; R418-Q554 PolarHBondContact NE-O 2.78Å; W468-Q554 HydrophobicContact CH2-CG 3.85Å; W468-Q554 HydrophobicContact CZ2-CG 3.79Å; E550-Q554 WeakPolarHBondContact O-CG 3.43Å; E550-Q554 PolarHBondContact O-N 3.22Å; E550-Q554 PolarHBondContact OE2-NE2 3.48Å; E550-Q554 VanDerWaalsContact OE2-NE2 3.12Å; Q554-V557 HydrophobicContact CB-CG2 3.63Å; Q554-V557 HydrophobicContact CG-CG2 4.47Å
555E91.3Very high95.9Very high84 Ų8420.7 Ų20.739%0.39310%0.098SC..SBendtrans-84.1-114.8175.9-60176.1-153.100111.6L416 R418 R466 V557L416-E555 HydrophobicContact CD1-CG 4.44Å; R418-E555 HydrophobicContact CB-CB 4.29Å; R466-E555 VanDerWaalsContact NH2-N 3.13Å; E555-V557 PolarHBondContact O-N 3.39Å
556N95.2Very high96Very high21 Ų2119.7 Ų19.711%0.1129%0.093CC..SBendtrans-71.7117.3-178.5-61.4-41.4000110.5S419 V462 P463 R466S419-N556 PolarHBondContact N-OD1 2.99Å; S419-N556 VanDerWaalsContact N-OD1 3.14Å; S419-N556 WeakPolarHBondContact O-CA 3.46Å; V462-N556 HydrophobicContact CG1-CB 3.65Å; P463-N556 PolarHBondContact O-ND2 3.48Å; R466-N556 PolarHBondContact N-O 3.05Å; R466-N556 PolarHBondContact NE-O 2.8Å
557V97.3Very high96.1Very high0 Ų016.9 Ų16.90%08%0.075CC..EExtended strand (participates in β ladder)trans-137.1133.7179.1-177.60000109.3S419 F421 R466 W468 L551 Q554 E555 V559S419-V557 PolarHBondContact O-N 2.73Å; F421-V557 PolarHBondContact N-O 3.32Å; R466-V557 HydrophobicContact CB-CG2 4.38Å; R466-V557 CarbonylContact O-C 3.49Å; R466-V557 WeakPolarHBondContact O-CA 3.29Å; W468-V557 HydrophobicContact CD2-CG1 3.63Å; W468-V557 HydrophobicContact CE3-CG1 3.83Å; W468-V557 HydrophobicContact CG-CG1 4.06Å; W468-V557 HydrophobicContact CH2-CG1 4.3Å; W468-V557 HydrophobicContact CH2-CG2 4.41Å; W468-V557 HydrophobicContact CZ2-CG1 4.18Å; W468-V557 HydrophobicContact CZ2-CG2 4.24Å; W468-V557 HydrophobicContact CZ3-CG1 4.18Å; L551-V557 HydrophobicContact CD2-CB 4.06Å; L551-V557 HydrophobicContact CD2-CG1 3.9Å; L551-V557 HydrophobicContact CD2-CG2 4.43Å; Q554-V557 HydrophobicContact CB-CG2 3.63Å; Q554-V557 HydrophobicContact CG-CG2 4.47Å; E555-V557 PolarHBondContact O-N 3.39Å; V557-V559 HydrophobicContact CG1-CG2 4.11Å
558L98.6Very high96.2Very high0 Ų016.9 Ų16.90%08%0.075CC..EExtended strand (participates in β ladder)trans-106.8120.8167170.365.2000110.2F421 T423 F457 L465 R466 V467 W468 L482 V560F421-L558 HydrophobicContact CB-CB 4.13Å; F421-L558 HydrophobicContact CB-CD1 3.54Å; F421-L558 HydrophobicContact CB-CG 4.43Å; F421-L558 CarbonylContact O-C 3.52Å; F421-L558 WeakPolarHBondContact O-CA 3.45Å; T423-L558 HydrophobicContact CG2-CD1 3.88Å; F457-L558 HydrophobicContact CD2-CD2 3.93Å; F457-L558 HydrophobicContact CE2-CD1 4.12Å; F457-L558 HydrophobicContact CE2-CD2 3.46Å; F457-L558 VanDerWaalsContact CE2-CD2 3.46Å; F457-L558 HydrophobicContact CE2-CG 4.39Å; F457-L558 HydrophobicContact CZ-CD1 3.98Å; F457-L558 HydrophobicContact CZ-CD2 3.8Å; F457-L558 HydrophobicContact CZ-CG 4.35Å; L465-L558 HydrophobicContact CD1-CB 3.97Å; R466-L558 PolarHBondContact O-N 3.29Å; V467-L558 CarbonylContact C-O 3.57Å; V467-L558 WeakPolarHBondContact CA-O 3.25Å; V467-L558 HydrophobicContact CG2-CB 4.35Å; V467-L558 HydrophobicContact CG2-CD2 4.31Å; W468-L558 PolarHBondContact N-O 2.82Å; L482-L558 HydrophobicContact CD1-CD2 3.44Å; L482-L558 VanDerWaalsContact CD1-CD2 3.44Å; L482-L558 HydrophobicContact CD2-CD2 4.26Å; L558-V560 HydrophobicContact CD2-CG2 4.46Å; L558-V560 HydrophobicContact CG-CG2 4.24Å
559V98.8Very high96.3Very high0 Ų016.9 Ų16.90%08%0.075CC..EExtended strand (participates in β ladder)trans-101.1116.1176.1-176.30000109.7F421 L422 T423 W468 L495 L551 V557 A561 L566 L569F421-V559 PolarHBondContact O-N 2.88Å; L422-V559 HydrophobicContact CD2-CB 3.77Å; L422-V559 HydrophobicContact CD2-CG2 3.9Å; T423-V559 PolarHBondContact N-O 3.47Å; T423-V559 VanDerWaalsContact O-O 3.06Å; W468-V559 HydrophobicContact CE3-CG2 4.25Å; W468-V559 CarbonylContact O-C 3.58Å; W468-V559 WeakPolarHBondContact O-CA 3.36Å; L495-V559 HydrophobicContact CD1-CG1 3.81Å; L495-V559 HydrophobicContact CD2-CG1 3.73Å; L495-V559 HydrophobicContact CG-CG1 4.44Å; L551-V559 HydrophobicContact CD2-CG2 4.05Å; V557-V559 HydrophobicContact CG1-CG2 4.11Å; V559-A561 HydrophobicContact CG1-CB 4.08Å; V559-L566 HydrophobicContact CG1-CD2 4.16Å; V559-L569 HydrophobicContact CG1-CD1 4.04Å
560V98.9Very high96.4Very high0 Ų017.1 Ų17.10%08%0.076CC..EExtended strand (participates in β ladder)trans-100.6100173.6-175.20000108.9T423 H425 V467 W468 S469 S470 A475 T478 A479 L482 L558T423-V560 HydrophobicContact CG2-CG2 4.01Å; T423-V560 WeakPolarHBondContact O-CA 3.42Å; H425-V560 HydrophobicContact CB-CG1 4.47Å; V467-V560 HydrophobicContact CG1-CG2 4.25Å; W468-V560 PolarHBondContact O-N 3.19Å; S469-V560 WeakPolarHBondContact CA-O 3.47Å; S470-V560 PolarHBondContact N-O 3.2Å; S470-V560 VanDerWaalsContact N-O 3.11Å; A475-V560 HydrophobicContact CB-CG1 4.24Å; T478-V560 HydrophobicContact CG2-CG1 3.85Å; A479-V560 HydrophobicContact CB-CB 4.48Å; A479-V560 HydrophobicContact CB-CG2 4.34Å; L482-V560 HydrophobicContact CD1-CG2 4.18Å; L558-V560 HydrophobicContact CD2-CG2 4.46Å; L558-V560 HydrophobicContact CG-CG2 4.24Å
561A98.7Very high96.5Very high0 Ų014.4 Ų14.40%06%0.063CC..EExtended strand (participates in β ladder)trans-139.8-142.1-174.800000111.7T423 R424 H425 L495 V559 V565 L566T423-A561 PolarHBondContact O-N 3.34Å; R424-A561 CarbonylContact C-O 3.59Å; R424-A561 WeakPolarHBondContact CA-O 3.38Å; H425-A561 PolarHBondContact CD2-O 3.45Å; H425-A561 PolarHBondContact N-O 3.48Å; L495-A561 HydrophobicContact CB-CB 4.34Å; L495-A561 HydrophobicContact CD2-CB 4.39Å; V559-A561 HydrophobicContact CG1-CB 4.08Å; A561-V565 HydrophobicContact CB-CB 4.29Å; A561-V565 HydrophobicContact CB-CG1 3.99Å; A561-L566 HydrophobicContact CB-CD2 3.87Å; A561-L566 HydrophobicContact CB-CG 4.09Å
562H98.6Very high96.6Very high0 Ų014.4 Ų14.40%06%0.063CC..  trans-131.5175.9-167.5-49.8-84.7000112.6H425 S470 K472 R474 L495 E497 V565 L566H425-H562 AromaticContact CD2-CE1 3.49Å; H425-H562 PolarHBondContact CD2-CE1 3.06Å; H425-H562 VanDerWaalsContact CD2-CE1 3.49Å; H425-H562 AromaticContact CD2-CG 3.93Å; H425-H562 AromaticContact CD2-ND1 2.98Å; H425-H562 PolarHBondContact CD2-ND1 3Å; H425-H562 AromaticContact NE2-CE1 3.8Å; H425-H562 AromaticContact NE2-CG 4Å; H425-H562 AromaticContact NE2-ND1 2.99Å; H425-H562 PolarHBondContact NE2-ND1 3.47Å; S470-H562 VanDerWaalsContact CB-NE2 3.31Å; S470-H562 WeakPolarHBondContact CB-NE2 3.38Å; S470-H562 PolarHBondContact OG-CE1 3.06Å; S470-H562 PolarHBondContact OG-NE2 3.08Å; K472-H562 WeakPolarHBondContact CG-NE2 3.16Å; R474-H562 PolarHBondContact NE-CE1 2.69Å; R474-H562 PolarHBondContact NE-ND1 2.65Å; R474-H562 PolarHBondContact NH2-CE1 3.06Å; R474-H562 VanDerWaalsContact NH2-CE1 3.34Å; R474-H562 PolarHBondContact NH2-ND1 3.2Å; L495-H562 PolarHBondContact O-CD2 3.41Å; L495-H562 VanDerWaalsContact O-CD2 3.23Å; E497-H562 HydrophobicContact CB-CB 3.69Å; E497-H562 HydrophobicContact CG-CB 3.9Å; E497-H562 PolarHBondContact N-CD2 2.81Å; E497-H562 PolarHBondContact N-NE2 2.88Å; E497-H562 WeakPolarHBondContact OE1-CB 3.48Å; E497-H562 WeakPolarHBondContact OE2-CB 3.39Å; H562-V565 HydrophobicContact CB-CG2 4.49Å; H562-L566 VanDerWaalsContact O-CB 3.3Å; H562-L566 WeakPolarHBondContact O-CB 3.38Å; H562-L566 WeakPolarHBondContact O-CG 3.45Å; H562-L566 PolarHBondContact O-N 3.19Å
563Q98.1Very high96.8Very high19 Ų1914.4 Ų14.49%0.0896%0.063CC..Hα-helixtrans-65.4-48-169.1-174.9171.9-53.100111.9E497 R567 T615E497-Q563 PolarHBondContact OE2-N 2.61Å; Q563-R567 VanDerWaalsContact O-CD 3.31Å; Q563-R567 WeakPolarHBondContact O-CD 3.49Å; Q563-R567 WeakPolarHBondContact O-CG 3.29Å; Q563-R567 PolarHBondContact O-N 2.98Å; Q563-T615 PolarHBondContact NE2-O 3.37Å; Q563-T615 PolarHBondContact OE1-OG1 3.29Å; Q563-T615 VanDerWaalsContact OE1-OG1 3.07Å
564A98.1Very high97.1Very high3 Ų310.6 Ų10.63%0.0255%0.052CC..Hα-helixtrans-70.7-42.8-177.400000111.6E497 I498 Y537 L540 L566 R567 C568E497-A564 WeakPolarHBondContact OE1-CB 3.36Å; E497-A564 PolarHBondContact OE1-N 3.4Å; E497-A564 VanDerWaalsContact OE1-N 3.09Å; I498-A564 HydrophobicContact CB-CB 3.76Å; I498-A564 HydrophobicContact CG2-CB 3.55Å; Y537-A564 HydrophobicContact CE1-CB 3.81Å; L540-A564 HydrophobicContact CD2-CB 3.66Å; A564-L566 PolarHBondContact O-N 3Å; A564-R567 WeakPolarHBondContact O-CB 3.38Å; A564-R567 PolarHBondContact O-N 3.44Å; A564-C568 PolarHBondContact O-N 3.34Å; A564-C568 VanDerWaalsContact O-N 3.14Å; A564-C568 PolarHBondContact O-SG 3.34Å
565V98.7Very high97.3Very high0 Ų013.8 Ų13.80%07%0.07CC..Hα-helixtrans-57.6-51.6178.6179.30000111L495 D496 L540 V544 A561 H562 R567 C568 L569L495-V565 HydrophobicContact CD2-CG1 3.84Å; D496-V565 WeakPolarHBondContact O-CG2 3.29Å; L540-V565 HydrophobicContact CD1-CG2 4.09Å; V544-V565 HydrophobicContact CG1-CG1 4.19Å; A561-V565 HydrophobicContact CB-CB 4.29Å; A561-V565 HydrophobicContact CB-CG1 3.99Å; H562-V565 HydrophobicContact CB-CG2 4.49Å; V565-R567 VanDerWaalsContact C-N 3.26Å; V565-R567 PolarHBondContact O-N 3.31Å; V565-C568 WeakPolarHBondContact O-CB 3.27Å; V565-C568 PolarHBondContact O-N 2.94Å; V565-C568 VanDerWaalsContact O-N 3.09Å; V565-L569 HydrophobicContact CG1-CD1 4.45Å; V565-L569 WeakPolarHBondContact O-CG 3.45Å; V565-L569 PolarHBondContact O-N 2.94Å
566L98.7Very high97.5Very high1 Ų113.1 Ų13.11%0.0057%0.066CC..Hα-helixtrans-68.2-27-177.9-64.9178.9000112.6L422 T423 R424 V559 A561 H562 A564 L569 L570 V586L422-L566 HydrophobicContact CB-CD2 4.05Å; L422-L566 HydrophobicContact CD2-CD2 4.28Å; T423-L566 VanDerWaalsContact O-CD1 3.3Å; T423-L566 WeakPolarHBondContact O-CD1 3.48Å; R424-L566 HydrophobicContact CB-CD1 4.38Å; R424-L566 HydrophobicContact CG-CD1 3.64Å; V559-L566 HydrophobicContact CG1-CD2 4.16Å; A561-L566 HydrophobicContact CB-CD2 3.87Å; A561-L566 HydrophobicContact CB-CG 4.09Å; H562-L566 VanDerWaalsContact O-CB 3.3Å; H562-L566 WeakPolarHBondContact O-CB 3.38Å; H562-L566 WeakPolarHBondContact O-CG 3.45Å; H562-L566 PolarHBondContact O-N 3.19Å; A564-L566 PolarHBondContact O-N 3Å; L566-L569 HydrophobicContact CD2-CD1 4.06Å; L566-L570 WeakPolarHBondContact O-CB 3.4Å; L566-L570 PolarHBondContact O-N 3.29Å; L566-V586 HydrophobicContact CB-CG1 3.89Å; L566-V586 HydrophobicContact CB-CG2 4.28Å; L566-V586 HydrophobicContact CD1-CG1 3.79Å
567R98.5Very high97.5Very high2 Ų215.5 Ų15.51%0.0088%0.079CC..Hα-helixtrans-63.9-43.6170-74.6167169.1-168.7-17111.7Y537 Q563 A564 V565 L570 A571 M581 P582 L584 V586 H616Y537-R567 HydrophobicContact CE1-CB 4.33Å; Y537-R567 WeakPolarHBondContact OH-CD 3.46Å; Y537-R567 PolarHBondContact OH-NH1 2.77Å; Y537-R567 VanDerWaalsContact OH-NH1 3.12Å; Q563-R567 VanDerWaalsContact O-CD 3.31Å; Q563-R567 WeakPolarHBondContact O-CD 3.49Å; Q563-R567 WeakPolarHBondContact O-CG 3.29Å; Q563-R567 PolarHBondContact O-N 2.98Å; A564-R567 WeakPolarHBondContact O-CB 3.38Å; A564-R567 PolarHBondContact O-N 3.44Å; V565-R567 VanDerWaalsContact C-N 3.26Å; V565-R567 PolarHBondContact O-N 3.31Å; R567-L570 PolarHBondContact O-N 3.25Å; R567-A571 VanDerWaalsContact O-CB 3.23Å; R567-A571 WeakPolarHBondContact O-CB 3.42Å; R567-A571 PolarHBondContact O-N 2.97Å; R567-M581 WeakPolarHBondContact CB-O 3.36Å; R567-P582 PolarHBondContact NH1-O 3.22Å; R567-L584 HydrophobicContact CG-CB 4.1Å; R567-L584 PolarHBondContact NE-O 3.1Å; R567-L584 PolarHBondContact NH2-O 2.67Å; R567-L584 VanDerWaalsContact NH2-O 3.17Å; R567-V586 HydrophobicContact CG-CG2 3.85Å; R567-H616 PolarHBondContact NH2-CE1 3.11Å; R567-H616 VanDerWaalsContact NH2-CE1 3.28Å; R567-H616 PolarHBondContact NH2-ND1 3.01Å; R567-H616 VanDerWaalsContact NH2-ND1 3.11Å
568C98.5Very high97.3Very high0 Ų020.5 Ų20.50%010%0.098CC..Hα-helixtrans-62.6-44.7176.2-64.40000111.7W230 L540 V541 V544 A564 V565 Y572 M581W230-C568 PolarHBondContact NE1-O 3.32Å; L540-C568 VanDerWaalsContact CD2-SG 3.55Å; V541-C568 HydrophobicContact CG2-CB 4.45Å; V544-C568 HydrophobicContact CG2-CB 3.91Å; A564-C568 PolarHBondContact O-N 3.34Å; A564-C568 VanDerWaalsContact O-N 3.14Å; A564-C568 PolarHBondContact O-SG 3.34Å; V565-C568 WeakPolarHBondContact O-CB 3.27Å; V565-C568 PolarHBondContact O-N 2.94Å; V565-C568 VanDerWaalsContact O-N 3.09Å; C568-Y572 PolarHBondContact O-N 2.91Å; C568-M581 HydrophobicContact CB-SD 4.27Å; C568-M581 VanDerWaalsContact SG-SD 3.67Å
569L98.3Very high97.1Very high0 Ų025.2 Ų25.20%012%0.118CC..Hα-helixtrans-64.6-45.6176.8-59.3-177000111.7L422 L495 V544 V547 I548 L551 V559 V565 L566 A571 Y572 F573L422-L569 HydrophobicContact CD1-CB 4.19Å; L422-L569 HydrophobicContact CD2-CD1 4.14Å; L495-L569 HydrophobicContact CD2-CD1 4.31Å; V544-L569 HydrophobicContact CB-CD2 4.33Å; V544-L569 HydrophobicContact CG2-CD2 4.49Å; V547-L569 HydrophobicContact CG1-CD2 4.17Å; I548-L569 HydrophobicContact CD1-CD2 3.51Å; I548-L569 HydrophobicContact CG1-CD2 4.15Å; L551-L569 HydrophobicContact CD1-CD1 4.39Å; L551-L569 HydrophobicContact CD1-CD2 4.36Å; V559-L569 HydrophobicContact CG1-CD1 4.04Å; V565-L569 HydrophobicContact CG1-CD1 4.45Å; V565-L569 WeakPolarHBondContact O-CG 3.45Å; V565-L569 PolarHBondContact O-N 2.94Å; L566-L569 HydrophobicContact CD2-CD1 4.06Å; L569-A571 VanDerWaalsContact C-N 3.35Å; L569-A571 PolarHBondContact O-N 3.47Å; L569-Y572 WeakPolarHBondContact O-CB 3.38Å; L569-Y572 PolarHBondContact O-N 3.04Å; L569-F573 VanDerWaalsContact O-CD2 3.28Å; L569-F573 WeakPolarHBondContact O-CD2 3.48Å; L569-F573 PolarHBondContact O-N 3.24Å
570L97.8Very high96.9Very high5 Ų529.2 Ų29.23%0.02614%0.137CC..Hα-helixtrans-65-40-179.8-17065000111.4L422 L566 R567 Y572 F573 L574 L584 V586 V592 L594 M603L422-L570 HydrophobicContact CD1-CB 4.48Å; L422-L570 HydrophobicContact CD1-CD1 4.39Å; L566-L570 WeakPolarHBondContact O-CB 3.4Å; L566-L570 PolarHBondContact O-N 3.29Å; R567-L570 PolarHBondContact O-N 3.25Å; L570-Y572 VanDerWaalsContact C-N 3.28Å; L570-Y572 PolarHBondContact O-N 3.42Å; L570-F573 PolarHBondContact O-N 3.16Å; L570-L574 HydrophobicContact CD1-CD1 3.68Å; L570-L574 HydrophobicContact CD1-CG 3.86Å; L570-L574 HydrophobicContact CD2-CD1 4.15Å; L570-L574 HydrophobicContact CG-CD1 3.62Å; L570-L574 HydrophobicContact CG-CG 4.05Å; L570-L574 VanDerWaalsContact O-CB 3.32Å; L570-L574 WeakPolarHBondContact O-CB 3.44Å; L570-L574 WeakPolarHBondContact O-CG 3.42Å; L570-L574 PolarHBondContact O-N 3.5Å; L570-L584 HydrophobicContact CB-CD1 4.26Å; L570-L584 HydrophobicContact CD2-CB 4.38Å; L570-L584 HydrophobicContact CD2-CD1 4.4Å; L570-L584 HydrophobicContact CG-CD1 4.35Å; L570-V586 HydrophobicContact CD2-CG2 4.37Å; L570-V592 HydrophobicContact CD1-CG1 4.02Å; L570-L594 HydrophobicContact CD1-CD1 4.11Å; L570-L594 HydrophobicContact CD1-CD2 3.82Å; L570-L594 HydrophobicContact CD1-CG 4.43Å; L570-M603 HydrophobicContact CD1-SD 4.02Å; L570-M603 HydrophobicContact CD2-SD 4.43Å
571A97.5Very high96.8Very high1 Ų129.3 Ų29.31%0.00814%0.138CC..Hα-helixtrans-60.3-38.9176.200000112.2R567 L569 D575 K576 M581 L584R567-A571 VanDerWaalsContact O-CB 3.23Å; R567-A571 WeakPolarHBondContact O-CB 3.42Å; R567-A571 PolarHBondContact O-N 2.97Å; L569-A571 VanDerWaalsContact C-N 3.35Å; L569-A571 PolarHBondContact O-N 3.47Å; A571-D575 PolarHBondContact O-N 3.32Å; A571-D575 VanDerWaalsContact O-N 3.07Å; A571-K576 HydrophobicContact CB-CB 4.03Å; A571-K576 PolarHBondContact O-N 2.96Å; A571-M581 HydrophobicContact CB-CB 3.76Å; A571-M581 HydrophobicContact CB-CE 3.84Å; A571-M581 HydrophobicContact CB-CG 3.66Å; A571-M581 HydrophobicContact CB-SD 4.43Å; A571-L584 HydrophobicContact CB-CD1 3.71Å
572Y96.9Very high96.7Very high0 Ų029.4 Ų29.40%014%0.138CC..Hα-helixtrans-60.6-52.9173.6175.1-98.3000111.8R226 Y227 W230 F409 I548 E552 C568 L569 L570 L574 D575R226-Y572 WeakPolarHBondContact CD-O 3.37Å; R226-Y572 PolarHBondContact NE-O 3.35Å; Y227-Y572 HydrophobicContact CD2-CE2 4.46Å; W230-Y572 HydrophobicContact CB-CD2 4.04Å; W230-Y572 AromaticContact CD2-CD2 3.91Å; W230-Y572 HydrophobicContact CD2-CD2 3.91Å; W230-Y572 HydrophobicContact CD2-CG 4.49Å; W230-Y572 HydrophobicContact CE3-CD2 4.21Å; W230-Y572 AromaticContact CG-CD2 3.81Å; W230-Y572 HydrophobicContact CG-CD2 3.81Å; W230-Y572 HydrophobicContact CG-CG 4.44Å; F409-Y572 WeakPolarHBondContact CE2-OH 3.46Å; I548-Y572 HydrophobicContact CD1-CD1 3.7Å; I548-Y572 HydrophobicContact CD1-CE1 4.49Å; I548-Y572 HydrophobicContact CD1-CG 3.73Å; I548-Y572 HydrophobicContact CG1-CG 4.29Å; I548-Y572 HydrophobicContact CG2-CD1 3.77Å; I548-Y572 HydrophobicContact CG2-CD2 3.89Å; I548-Y572 HydrophobicContact CG2-CE1 3.56Å; I548-Y572 HydrophobicContact CG2-CE2 3.68Å; I548-Y572 HydrophobicContact CG2-CG 3.93Å; E552-Y572 HydrophobicContact CG-CE1 4.12Å; E552-Y572 WeakPolarHBondContact OE1-CE1 3.38Å; E552-Y572 PolarHBondContact OE1-OH 2.87Å; C568-Y572 PolarHBondContact O-N 2.91Å; L569-Y572 WeakPolarHBondContact O-CB 3.38Å; L569-Y572 PolarHBondContact O-N 3.04Å; L570-Y572 VanDerWaalsContact C-N 3.28Å; L570-Y572 PolarHBondContact O-N 3.42Å; Y572-L574 PolarHBondContact O-N 2.93Å; Y572-D575 PolarHBondContact O-N 3.3Å
573F95Very high96.6Very high2 Ų231.1 Ų31.11%0.00915%0.145CC..Hα-helixtrans-71.2-32-174.9-74.6-70.8000113.7R226 I420 I548 L551 L569 L570 L594 C601R226-F573 PolarHBondContact NH1-O 3.42Å; I420-F573 HydrophobicContact CD1-CD1 4.3Å; I420-F573 HydrophobicContact CD1-CE1 3.47Å; I420-F573 VanDerWaalsContact CD1-CE1 3.47Å; I420-F573 HydrophobicContact CD1-CE2 3.96Å; I420-F573 HydrophobicContact CD1-CZ 3.29Å; I548-F573 HydrophobicContact CD1-CE2 4.29Å; L551-F573 HydrophobicContact CB-CE2 4.39Å; L551-F573 HydrophobicContact CB-CZ 3.89Å; L551-F573 HydrophobicContact CD1-CE2 3.84Å; L551-F573 HydrophobicContact CD1-CZ 4.2Å; L569-F573 VanDerWaalsContact O-CD2 3.28Å; L569-F573 WeakPolarHBondContact O-CD2 3.48Å; L569-F573 PolarHBondContact O-N 3.24Å; L570-F573 PolarHBondContact O-N 3.16Å; F573-L594 HydrophobicContact CB-CD1 3.81Å; F573-L594 HydrophobicContact CD2-CD1 3.75Å; F573-L594 HydrophobicContact CG-CD1 3.9Å; F573-C601 HydrophobicContact CB-CB 4.38Å; F573-C601 VanDerWaalsContact O-CB 3.22Å; F573-C601 WeakPolarHBondContact O-CB 3.48Å
574L95.3Very high96.6Very high46 Ų4631.3 Ų31.324%0.24115%0.146CC..THydrogen-bonded Turntrans-90.13.2179.2-59.6-171.8000114.1L570 Y572 K576 L594 C601 M603L570-L574 HydrophobicContact CD1-CD1 3.68Å; L570-L574 HydrophobicContact CD1-CG 3.86Å; L570-L574 HydrophobicContact CD2-CD1 4.15Å; L570-L574 HydrophobicContact CG-CD1 3.62Å; L570-L574 HydrophobicContact CG-CG 4.05Å; L570-L574 VanDerWaalsContact O-CB 3.32Å; L570-L574 WeakPolarHBondContact O-CB 3.44Å; L570-L574 WeakPolarHBondContact O-CG 3.42Å; L570-L574 PolarHBondContact O-N 3.5Å; Y572-L574 PolarHBondContact O-N 2.93Å; L574-K576 HydrophobicContact CB-CG 3.9Å; L574-K576 PolarHBondContact O-N 2.93Å; L574-L594 HydrophobicContact CD2-CD2 4.14Å; L574-C601 HydrophobicContact CD2-CB 4.45Å; L574-M603 HydrophobicContact CD1-SD 3.86Å; L574-M603 HydrophobicContact CD2-CB 4.19Å
575D94.9Very high96.6Very high105 Ų10537.7 Ų37.756%0.56117%0.17SC*.THydrogen-bonded Turntrans55.349.2-179.6-160.928.9000112.4R226 A571 Y572R226-D575 HydrophobicContact CG-CB 4.24Å; R226-D575 WeakPolarHBondContact CG-OD1 3.39Å; A571-D575 PolarHBondContact O-N 3.32Å; A571-D575 VanDerWaalsContact O-N 3.07Å; Y572-D575 PolarHBondContact O-N 3.3Å
576K96Very high96.5Very high70 Ų7038 Ų3830%0.30417%0.172SC..  trans-100.3136.8179.2-62.1-61-165.9165.50110.9A571 L574 E580 L584A571-K576 HydrophobicContact CB-CB 4.03Å; A571-K576 PolarHBondContact O-N 2.96Å; L574-K576 HydrophobicContact CB-CG 3.9Å; L574-K576 PolarHBondContact O-N 2.93Å; K576-E580 HydrophobicContact CB-CB 4.38Å; K576-E580 IonicContact NZ-OE1 3.64Å; K576-E580 PolarHBondContact NZ-OE1 3Å; K576-E580 IonicContact NZ-OE2 3.71Å; K576-L584 HydrophobicContact CB-CD1 4.31Å; K576-L584 HydrophobicContact CG-CD1 4.36Å; K576-L584 HydrophobicContact CG-CD2 4.11Å
577D94.2Very high96.4Very high71 Ų7140.3 Ų40.338%0.3819%0.186SC..  trans-74.7172.1-178.678.410.5000112.4K579 E580 M581D577-K579 PolarHBondContact O-N 3.4Å; D577-K579 WeakPolarHBondContact OD1-CA 3.45Å; D577-K579 VanDerWaalsContact OD1-CB 3.25Å; D577-K579 WeakPolarHBondContact OD1-CB 3.3Å; D577-K579 PolarHBondContact OD1-N 3.48Å; D577-E580 PolarHBondContact O-N 3.17Å; D577-E580 PolarHBondContact OD1-N 3.28Å; D577-M581 WeakPolarHBondContact O-CB 2.99Å; D577-M581 PolarHBondContact O-N 3.37Å
578W93.5Very high96.4Very high105 Ų10540.9 Ų40.940%0.39819%0.19SC..THydrogen-bonded Turntrans-63.2-22.2179.165.3-98.2000113.5F527 H528 P582F527-W578 HydrophobicContact CB-CE3 3.78Å; F527-W578 HydrophobicContact CB-CZ3 4.39Å; F527-W578 HydrophobicContact CD1-CB 3.8Å; F527-W578 HydrophobicContact CD1-CD2 4.22Å; F527-W578 AromaticContact CD1-CE3 3.84Å; F527-W578 HydrophobicContact CD1-CE3 3.84Å; F527-W578 HydrophobicContact CD1-CG 4.26Å; F527-W578 HydrophobicContact CD2-CB 3.77Å; F527-W578 HydrophobicContact CE1-CB 3.74Å; F527-W578 HydrophobicContact CE1-CG 4.34Å; F527-W578 HydrophobicContact CE2-CB 3.71Å; F527-W578 HydrophobicContact CG-CB 3.82Å; F527-W578 AromaticContact CG-CE3 3.93Å; F527-W578 HydrophobicContact CG-CE3 3.93Å; F527-W578 HydrophobicContact CZ-CB 3.69Å; H528-W578 AromaticContact CE1-CE3 3.64Å; H528-W578 AromaticContact CE1-CH2 3.7Å; H528-W578 AromaticContact CE1-CZ3 3.43Å; H528-W578 VanDerWaalsContact CE1-CZ3 3.43Å; H528-W578 WeakPolarHBondContact CE1-CZ3 3.25Å; H528-W578 AromaticContact ND1-CZ3 3.78Å; W578-P582 WeakPolarHBondContact O-CD 3.49Å
579K93.2Very high96.4Very high100 Ų10041 Ų4144%0.43519%0.19SC..THydrogen-bonded Turntrans-76.2-37.1178.7-58173.8-179.2171.50110.9D577 Y583D577-K579 PolarHBondContact O-N 3.4Å; D577-K579 WeakPolarHBondContact OD1-CA 3.45Å; D577-K579 VanDerWaalsContact OD1-CB 3.25Å; D577-K579 WeakPolarHBondContact OD1-CB 3.3Å; D577-K579 PolarHBondContact OD1-N 3.48Å; K579-Y583 VanDerWaalsContact O-CD2 3.31Å; K579-Y583 WeakPolarHBondContact O-CD2 3.11Å
580E95.7Very high96.5Very high84 Ų8441.2 Ų41.239%0.39319%0.192SC..THydrogen-bonded Turntrans-82.6-35.8177.4-68.8-177.982.200112.5K576 D577 Y583 L584K576-E580 HydrophobicContact CB-CB 4.38Å; K576-E580 IonicContact NZ-OE1 3.64Å; K576-E580 PolarHBondContact NZ-OE1 3Å; K576-E580 IonicContact NZ-OE2 3.71Å; D577-E580 PolarHBondContact O-N 3.17Å; D577-E580 PolarHBondContact OD1-N 3.28Å; E580-Y583 CarbonylContact O-C 3.51Å; E580-Y583 WeakPolarHBondContact O-CA 3.48Å; E580-Y583 PolarHBondContact O-N 3.16Å; E580-L584 PolarHBondContact O-N 3.44Å
581M96.8Very high96.5Very high2 Ų241 Ų411%0.0119%0.191CC..G310 helixtrans-48.6-51.5-171.3172.7-166.4-51.600114.2F527 Y537 V541 R567 C568 A571 D577 Y583 L584F527-M581 HydrophobicContact CD2-SD 4.26Å; F527-M581 HydrophobicContact CE2-CE 4.2Å; F527-M581 HydrophobicContact CE2-SD 3.82Å; Y537-M581 HydrophobicContact CD1-SD 4.46Å; V541-M581 HydrophobicContact CG2-CE 3.82Å; V541-M581 HydrophobicContact CG2-SD 3.63Å; R567-M581 WeakPolarHBondContact CB-O 3.36Å; C568-M581 HydrophobicContact CB-SD 4.27Å; C568-M581 VanDerWaalsContact SG-SD 3.67Å; A571-M581 HydrophobicContact CB-CB 3.76Å; A571-M581 HydrophobicContact CB-CE 3.84Å; A571-M581 HydrophobicContact CB-CG 3.66Å; A571-M581 HydrophobicContact CB-SD 4.43Å; D577-M581 WeakPolarHBondContact O-CB 2.99Å; D577-M581 PolarHBondContact O-N 3.37Å; M581-Y583 PolarHBondContact O-N 3.21Å; M581-L584 PolarHBondContact O-N 2.94Å
582P97.2Very high96.6Very high1 Ų141.1 Ų41.11%0.00619%0.191CC..G310 helixtrans-66.2-3.8-179.3-22.334.8000115.1K526 F527 Y537 R567 W578K526-P582 HydrophobicContact CB-CB 4.12Å; K526-P582 HydrophobicContact CD-CB 3.71Å; K526-P582 HydrophobicContact CG-CB 3.82Å; K526-P582 PolarHBondContact NZ-O 2.99Å; F527-P582 HydrophobicContact CB-CG 3.86Å; F527-P582 HydrophobicContact CD2-CG 4.15Å; Y537-P582 HydrophobicContact CD1-CB 4.47Å; Y537-P582 HydrophobicContact CD1-CG 4.34Å; Y537-P582 HydrophobicContact CD2-CB 3.95Å; Y537-P582 HydrophobicContact CD2-CG 4.06Å; Y537-P582 HydrophobicContact CE1-CB 4.31Å; Y537-P582 HydrophobicContact CE2-CB 3.75Å; Y537-P582 HydrophobicContact CE2-CG 4.36Å; Y537-P582 HydrophobicContact CG-CB 4.3Å; Y537-P582 HydrophobicContact CG-CG 4.04Å; R567-P582 PolarHBondContact NH1-O 3.22Å; W578-P582 WeakPolarHBondContact O-CD 3.49Å
583Y96.7Very high96.6Very high37 Ų3743.6 Ų43.615%0.14520%0.202CC..G310 helixtrans-122.54.1-175.8-53.7-76.1000113K526 K579 E580 M581 R585 H616 R619K526-Y583 HydrophobicContact CB-CE2 4.48Å; K526-Y583 WeakPolarHBondContact CB-OH 3.36Å; K526-Y583 HydrophobicContact CD-CD1 4.41Å; K526-Y583 HydrophobicContact CD-CE1 3.66Å; K579-Y583 VanDerWaalsContact O-CD2 3.31Å; K579-Y583 WeakPolarHBondContact O-CD2 3.11Å; E580-Y583 CarbonylContact O-C 3.51Å; E580-Y583 WeakPolarHBondContact O-CA 3.48Å; E580-Y583 PolarHBondContact O-N 3.16Å; M581-Y583 PolarHBondContact O-N 3.21Å; Y583-R585 PolarHBondContact O-N 3.12Å; Y583-H616 PolarHBondContact O-CE1 2.78Å; Y583-H616 VanDerWaalsContact O-CE1 3.26Å; Y583-R619 HydrophobicContact CD1-CB 3.71Å; Y583-R619 HydrophobicContact CD1-CG 4.37Å; Y583-R619 HydrophobicContact CD2-CB 4.26Å; Y583-R619 HydrophobicContact CD2-CG 4.38Å; Y583-R619 VanDerWaalsContact CE1-CA 3.45Å; Y583-R619 HydrophobicContact CE1-CB 3.72Å; Y583-R619 HydrophobicContact CE1-CG 3.97Å; Y583-R619 HydrophobicContact CE2-CB 4.26Å; Y583-R619 HydrophobicContact CE2-CG 3.96Å; Y583-R619 HydrophobicContact CG-CB 3.98Å
584L97.5Very high96.7Very high22 Ų2243.5 Ų43.512%0.11520%0.201CC..  trans-60.3138.4171.5-63.8174.4000110.5R567 L570 A571 K576 E580 M581R567-L584 HydrophobicContact CG-CB 4.1Å; R567-L584 PolarHBondContact NE-O 3.1Å; R567-L584 PolarHBondContact NH2-O 2.67Å; R567-L584 VanDerWaalsContact NH2-O 3.17Å; L570-L584 HydrophobicContact CB-CD1 4.26Å; L570-L584 HydrophobicContact CD2-CB 4.38Å; L570-L584 HydrophobicContact CD2-CD1 4.4Å; L570-L584 HydrophobicContact CG-CD1 4.35Å; A571-L584 HydrophobicContact CB-CD1 3.71Å; K576-L584 HydrophobicContact CB-CD1 4.31Å; K576-L584 HydrophobicContact CG-CD1 4.36Å; K576-L584 HydrophobicContact CG-CD2 4.11Å; E580-L584 PolarHBondContact O-N 3.44Å; M581-L584 PolarHBondContact O-N 2.94Å
585R96.9Very high96.6Very high137 Ų13743.2 Ų43.252%0.51720%0.202SC..  trans-80.7124.1178.1-80.9-174.4174.6-109.6-1.2109.7Y583 D614 H616 D618Y583-R585 PolarHBondContact O-N 3.12Å; R585-D614 IonicContact NH1-OD2 3.25Å; R585-H616 WeakPolarHBondContact CG-CE1 3.43Å; R585-H616 VanDerWaalsContact CZ-CD2 3.42Å; R585-H616 PolarHBondContact NH2-CD2 3.36Å; R585-H616 VanDerWaalsContact NH2-CD2 3.31Å; R585-D618 IonicContact CZ-OD1 3.17Å; R585-D618 IonicContact NE-OD1 3.73Å; R585-D618 IonicContact NH2-OD1 3.29Å; R585-D618 PolarHBondContact NH2-OD1 3.04Å; R585-D618 IonicContact NH2-OD2 2.67Å; R585-D618 PolarHBondContact NH2-OD2 3.03Å
586V97.4Very high96.3Very high7 Ų739.4 Ų39.44%0.04218%0.183CC..  trans-13483.5173.9-1690000107.2R424 L566 R567 L570R424-V586 WeakPolarHBondContact CD-O 3.2Å; R424-V586 HydrophobicContact CG-CG1 3.89Å; R424-V586 PolarHBondContact NH1-O 3.31Å; L566-V586 HydrophobicContact CB-CG1 3.89Å; L566-V586 HydrophobicContact CB-CG2 4.28Å; L566-V586 HydrophobicContact CD1-CG1 3.79Å; R567-V586 HydrophobicContact CG-CG2 3.85Å; L570-V586 HydrophobicContact CD2-CG2 4.37Å
587P97.7Very high95.6Very high49 Ų4939.7 Ų39.732%0.31819%0.19SC..  trans-67.6154.3-175.625.5-31000111.7T590P587-T590 HydrophobicContact CG-CG2 4.09Å
588L98.5Very high94.6Very high14 Ų1438 Ų387%0.07319%0.187CC..THydrogen-bonded Turntrans-66.4158.3168.1-75.8171.3000110.3R424 H425 E427 N431 T590 A612 V613R424-L588 HydrophobicContact CB-CD2 3.92Å; H425-L588 VanDerWaalsContact O-CD2 3.32Å; H425-L588 WeakPolarHBondContact O-CD2 3.32Å; E427-L588 HydrophobicContact CB-CD1 4.3Å; E427-L588 HydrophobicContact CG-CD1 4.38Å; N431-L588 HydrophobicContact CB-CD1 4.29Å; L588-T590 PolarHBondContact O-N 2.83Å; L588-T590 VanDerWaalsContact O-N 3.13Å; L588-T590 PolarHBondContact O-OG1 2.61Å; L588-T590 VanDerWaalsContact O-OG1 3.14Å; L588-A612 HydrophobicContact CB-CB 3.64Å; L588-A612 HydrophobicContact CD1-CB 4.06Å; L588-V613 HydrophobicContact CD1-CG2 4.12Å
589H98.6Very high93.6Very high2 Ų238.8 Ų38.81%0.00919%0.19CC..THydrogen-bonded Turntrans54.534174.6-56.5174.9000114.2E427 Y449 F608 V610 E611E427-H589 WeakPolarHBondContact CB-NE2 3.43Å; E427-H589 PolarHBondContact N-NE2 3Å; Y449-H589 WeakPolarHBondContact CB-CD2 3.47Å; Y449-H589 WeakPolarHBondContact CB-NE2 3.38Å; Y449-H589 AromaticContact CD1-CD2 3.53Å; Y449-H589 VanDerWaalsContact CD2-CA 3.48Å; Y449-H589 HydrophobicContact CD2-CB 3.53Å; Y449-H589 AromaticContact CD2-CD2 3.83Å; Y449-H589 AromaticContact CD2-CG 3.73Å; Y449-H589 HydrophobicContact CE2-CB 3.96Å; Y449-H589 HydrophobicContact CG-CB 3.94Å; Y449-H589 AromaticContact CG-CD2 3.24Å; Y449-H589 AromaticContact CG-CG 3.59Å; Y449-H589 AromaticContact CG-NE2 3.89Å; H589-F608 WeakPolarHBondContact O-CB 3.46Å; H589-F608 PolarHBondContact O-N 2.81Å; H589-V610 WeakPolarHBondContact ND1-CG1 3.5Å; H589-V610 PolarHBondContact ND1-O 2.87Å; H589-E611 PolarHBondContact CE1-O 3.08Å; H589-E611 VanDerWaalsContact CE1-O 3.24Å; H589-E611 PolarHBondContact ND1-O 2.93Å
590T98.7Very high93.1Very high6 Ų635.3 Ų35.34%0.03718%0.183CC..EExtended strand (participates in β ladder)trans-136.7136.9-179.5-55.30000108.6T423 P587 L588 L605 I606T423-T590 PolarHBondContact OG1-O 2.77Å; P587-T590 HydrophobicContact CG-CG2 4.09Å; L588-T590 PolarHBondContact O-N 2.83Å; L588-T590 VanDerWaalsContact O-N 3.13Å; L588-T590 PolarHBondContact O-OG1 2.61Å; L588-T590 VanDerWaalsContact O-OG1 3.14Å; T590-L605 HydrophobicContact CG2-CB 4.25Å; T590-L605 HydrophobicContact CG2-CD2 4.39Å; T590-I606 CarbonylContact C-O 3.49Å; T590-I606 WeakPolarHBondContact CA-O 3.29Å
591V98.7Very high92.9Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-98.7129.7170173.40000108.2F421 L453 F457 I606 F608F421-V591 HydrophobicContact CB-CG1 4.08Å; F421-V591 HydrophobicContact CD1-CG1 3.91Å; F421-V591 HydrophobicContact CG-CG1 4.49Å; L453-V591 HydrophobicContact CD1-CG2 3.36Å; F457-V591 HydrophobicContact CE2-CG2 4.36Å; F457-V591 HydrophobicContact CZ-CG1 4.36Å; V591-I606 HydrophobicContact CB-CB 4.24Å; V591-I606 HydrophobicContact CB-CD1 4.35Å; V591-I606 HydrophobicContact CG1-CD1 4.19Å; V591-I606 PolarHBondContact N-O 3.36Å; V591-I606 PolarHBondContact O-N 3.15Å; V591-F608 HydrophobicContact CB-CE2 4.28Å; V591-F608 HydrophobicContact CG2-CE2 3.67Å; V591-F608 HydrophobicContact CG2-CZ 4.2Å
592V98.5Very high92.8Very high3 Ų337.7 Ų37.72%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-94.5112.4169.2-172.90000107.3F421 L422 L570 L594 M603 L605F421-V592 CarbonylContact C-O 3.3Å; F421-V592 WeakPolarHBondContact CA-O 3.44Å; L422-V592 HydrophobicContact CB-CB 4.2Å; L422-V592 PolarHBondContact N-O 3.46Å; L422-V592 PolarHBondContact O-N 3.5Å; L570-V592 HydrophobicContact CD1-CG1 4.02Å; V592-L594 HydrophobicContact CG1-CD2 4.06Å; V592-L594 HydrophobicContact CG1-CG 4.23Å; V592-M603 HydrophobicContact CG1-CG 3.51Å; V592-M603 HydrophobicContact CG1-SD 3.78Å; V592-L605 HydrophobicContact CB-CD2 4.22Å; V592-L605 HydrophobicContact CG1-CD2 4.1Å; V592-L605 HydrophobicContact CG2-CD2 3.72Å
593K98Very high92.7Very high52 Ų5241.4 Ų41.423%0.22621%0.212CC..EExtended strand (participates in β ladder)trans-93.6116.7173.5-179.1179.6-174.4171.30109S419 F421 M603 D604 I606S419-K593 VanDerWaalsContact OG-CE 3.32Å; S419-K593 WeakPolarHBondContact OG-CE 3.44Å; F421-K593 HydrophobicContact CD1-CB 4.01Å; F421-K593 HydrophobicContact CD1-CD 4.48Å; F421-K593 HydrophobicContact CD1-CG 3.97Å; F421-K593 HydrophobicContact CE1-CB 4.09Å; F421-K593 HydrophobicContact CE1-CD 3.72Å; F421-K593 HydrophobicContact CE1-CG 3.63Å; F421-K593 HydrophobicContact CZ-CD 4.33Å; F421-K593 HydrophobicContact CZ-CG 4.32Å; K593-M603 WeakPolarHBondContact O-CA 3.36Å; K593-D604 HydrophobicContact CB-CB 4.33Å; K593-D604 PolarHBondContact N-O 3.19Å; K593-D604 PolarHBondContact O-N 3.23Å; K593-I606 HydrophobicContact CB-CD1 4.11Å
594L96.8Very high92.8Very high0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-103.6123.5176.9-64.7176.9000109.5S419 I420 L422 L570 F573 L574 V592 K602 M603S419-L594 WeakPolarHBondContact CA-O 3.39Å; I420-L594 HydrophobicContact CB-CB 4.2Å; I420-L594 PolarHBondContact N-O 2.87Å; I420-L594 WeakPolarHBondContact O-CA 3.25Å; I420-L594 WeakPolarHBondContact O-CB 3.21Å; I420-L594 PolarHBondContact O-N 2.89Å; L422-L594 HydrophobicContact CD1-CD1 3.62Å; L422-L594 HydrophobicContact CG-CD1 4.08Å; L570-L594 HydrophobicContact CD1-CD1 4.11Å; L570-L594 HydrophobicContact CD1-CD2 3.82Å; L570-L594 HydrophobicContact CD1-CG 4.43Å; F573-L594 HydrophobicContact CB-CD1 3.81Å; F573-L594 HydrophobicContact CD2-CD1 3.75Å; F573-L594 HydrophobicContact CG-CD1 3.9Å; L574-L594 HydrophobicContact CD2-CD2 4.14Å; V592-L594 HydrophobicContact CG1-CD2 4.06Å; V592-L594 HydrophobicContact CG1-CG 4.23Å; L594-K602 CarbonylContact C-O 3.59Å; L594-K602 WeakPolarHBondContact CA-O 3.38Å; L594-M603 HydrophobicContact CD2-CB 3.98Å; L594-M603 HydrophobicContact CD2-CG 3.95Å
595T93.3Very high92.8Very high41 Ų4146 Ų4625%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-115.6101.4173.5-50.70000108.6V597 K602T595-V597 PolarHBondContact O-N 3.18Å; T595-K602 PolarHBondContact N-O 3.44Å; T595-K602 PolarHBondContact O-N 2.86Å
596P87.6Confident92.9Very high24 Ų2441.4 Ų41.416%0.15622%0.224CC..EExtended strand (participates in β ladder)trans-57.2133174.5-24.835.5000111.4R418R418-P596 HydrophobicContact CG-CG 4.28Å; R418-P596 WeakPolarHBondContact O-CD 3.41Å
597V83.2Confident92.9Very high76 Ų7649.4 Ų49.446%0.46126%0.259SS..EExtended strand (participates in β ladder)trans-128.2169.1177-650000110T595 Y599 G600T595-V597 PolarHBondContact O-N 3.18Å; V597-Y599 PolarHBondContact O-N 3.26Å; V597-G600 WeakPolarHBondContact CG2-O 3.29Å; V597-G600 PolarHBondContact N-O 3.14Å; V597-G600 PolarHBondContact O-N 3.43Å
598A72Confident92.9Very high37 Ų3748.1 Ų48.131%0.30625%0.248SC..THydrogen-bonded Turntrans-54.9-32-17300000114.9V339V339-A598 HydrophobicContact CG1-CB 4.44Å; V339-A598 HydrophobicContact CG2-CB 3.66Å
599Y71.9Confident92.8Very high120 Ų12054.7 Ų54.747%0.47128%0.283SS..THydrogen-bonded Turntrans-117.715.5-176.9-64.3-67.3000114.2K222 V339 V597K222-Y599 HydrophobicContact CD-CD1 4.27Å; V339-Y599 HydrophobicContact CG1-CE2 3.86Å; V339-Y599 VanDerWaalsContact CG1-OH 3.24Å; V339-Y599 WeakPolarHBondContact CG1-OH 3.21Å; V597-Y599 PolarHBondContact O-N 3.26Å
600G84.7Confident92.8Very high27 Ų2755.2 Ų55.228%0.27829%0.287SS..EExtended strand (participates in β ladder)trans163.5-144.9-178.400000113.3V597V597-G600 WeakPolarHBondContact CG2-O 3.29Å; V597-G600 PolarHBondContact N-O 3.14Å; V597-G600 PolarHBondContact O-N 3.43Å
601C90.8Very high92.7Very high24 Ų2461.3 Ų61.316%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-143.7127.6177-168.30000109.5F573 L574F573-C601 HydrophobicContact CB-CB 4.38Å; F573-C601 VanDerWaalsContact O-CB 3.22Å; F573-C601 WeakPolarHBondContact O-CB 3.48Å; L574-C601 HydrophobicContact CD2-CB 4.45Å
602K93.4Very high92.6Very high113 Ų11363 Ų6349%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-78.7134.6171.6-174.1-171.8177.9-1350108.8L594 T595 D604L594-K602 CarbonylContact C-O 3.59Å; L594-K602 WeakPolarHBondContact CA-O 3.38Å; T595-K602 PolarHBondContact N-O 3.44Å; T595-K602 PolarHBondContact O-N 2.86Å; K602-D604 VanDerWaalsContact CE-OD1 3.26Å; K602-D604 WeakPolarHBondContact CE-OD1 3.5Å; K602-D604 WeakPolarHBondContact CE-OD2 3.42Å; K602-D604 IonicContact NZ-OD1 3.9Å; K602-D604 PolarHBondContact NZ-OD1 3.17Å; K602-D604 IonicContact NZ-OD2 2.62Å; K602-D604 PolarHBondContact NZ-OD2 3.37Å
603M96.5Very high92.5Very high78 Ų7865 Ų6538%0.38434%0.341SS..EExtended strand (participates in β ladder)trans-117.4123.7176.8-175.4-17773.200110.5L570 L574 V592 K593 L594 L605L570-M603 HydrophobicContact CD1-SD 4.02Å; L570-M603 HydrophobicContact CD2-SD 4.43Å; L574-M603 HydrophobicContact CD1-SD 3.86Å; L574-M603 HydrophobicContact CD2-CB 4.19Å; V592-M603 HydrophobicContact CG1-CG 3.51Å; V592-M603 HydrophobicContact CG1-SD 3.78Å; K593-M603 WeakPolarHBondContact O-CA 3.36Å; L594-M603 HydrophobicContact CD2-CB 3.98Å; L594-M603 HydrophobicContact CD2-CG 3.95Å; M603-L605 HydrophobicContact CE-CD2 4.47Å; M603-L605 HydrophobicContact SD-CD2 4.4Å
604D97.7Very high92.3Very high55 Ų5567.8 Ų67.829%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-115.7138.7170.9-61.3-63000109.3K593 K602K593-D604 HydrophobicContact CB-CB 4.33Å; K593-D604 PolarHBondContact N-O 3.19Å; K593-D604 PolarHBondContact O-N 3.23Å; K602-D604 VanDerWaalsContact CE-OD1 3.26Å; K602-D604 WeakPolarHBondContact CE-OD1 3.5Å; K602-D604 WeakPolarHBondContact CE-OD2 3.42Å; K602-D604 IonicContact NZ-OD1 3.9Å; K602-D604 PolarHBondContact NZ-OD1 3.17Å; K602-D604 IonicContact NZ-OD2 2.62Å; K602-D604 PolarHBondContact NZ-OD2 3.37Å
605L98.1Very high92.1Very high102 Ų10269.2 Ų69.253%0.53437%0.367SS..EExtended strand (participates in β ladder)trans-106.9120.8177.7-63-179.3000110.3T590 V592 M603T590-L605 HydrophobicContact CG2-CB 4.25Å; T590-L605 HydrophobicContact CG2-CD2 4.39Å; V592-L605 HydrophobicContact CB-CD2 4.22Å; V592-L605 HydrophobicContact CG1-CD2 4.1Å; V592-L605 HydrophobicContact CG2-CD2 3.72Å; M603-L605 HydrophobicContact CE-CD2 4.47Å; M603-L605 HydrophobicContact SD-CD2 4.4Å
606I98Very high92.1Very high39 Ų3968.6 Ų68.620%0.236%0.361CS..EExtended strand (participates in β ladder)trans-108.496.8178.7-57.3146.3000107.5Y456 T590 V591 K593 F608Y456-I606 HydrophobicContact CE1-CD1 4.24Å; Y456-I606 HydrophobicContact CE2-CG2 4.09Å; Y456-I606 VanDerWaalsContact OH-CD1 3.27Å; Y456-I606 WeakPolarHBondContact OH-CD1 3.46Å; T590-I606 CarbonylContact C-O 3.49Å; T590-I606 WeakPolarHBondContact CA-O 3.29Å; V591-I606 HydrophobicContact CB-CB 4.24Å; V591-I606 HydrophobicContact CB-CD1 4.35Å; V591-I606 HydrophobicContact CG1-CD1 4.19Å; V591-I606 PolarHBondContact N-O 3.36Å; V591-I606 PolarHBondContact O-N 3.15Å; K593-I606 HydrophobicContact CB-CD1 4.11Å; I606-F608 HydrophobicContact CG2-CE2 3.95Å; I606-F608 HydrophobicContact CG2-CZ 4.38Å; I606-F608 WeakPolarHBondContact O-CD2 3.41Å
607K98Very high92.1Very high176 Ų17671.4 Ų71.477%0.76537%0.369SS*.EExtended strand (participates in β ladder)trans-87133.1179.9-174.1178.1179.5-1750110.2
608F98.2Very high92.4Very high22 Ų2272.7 Ų72.710%0.09637%0.373CS..  trans-93.9145.3178.5-70-108.4000110.4Y449 R452 L453 Y456 H589 V591 I606 V610Y449-F608 HydrophobicContact CD2-CB 3.98Å; Y449-F608 HydrophobicContact CD2-CD1 4.48Å; Y449-F608 HydrophobicContact CD2-CD2 4.38Å; Y449-F608 HydrophobicContact CD2-CG 4.03Å; Y449-F608 HydrophobicContact CE2-CB 4.07Å; Y449-F608 HydrophobicContact CE2-CD1 4.27Å; Y449-F608 AromaticContact CE2-CD2 3.61Å; Y449-F608 HydrophobicContact CE2-CD2 3.61Å; Y449-F608 HydrophobicContact CE2-CE2 4.12Å; Y449-F608 AromaticContact CE2-CG 3.7Å; Y449-F608 HydrophobicContact CE2-CG 3.7Å; R452-F608 HydrophobicContact CB-CD1 3.8Å; R452-F608 HydrophobicContact CB-CE1 4.3Å; R452-F608 WeakPolarHBondContact O-CE1 3.15Å; L453-F608 HydrophobicContact CD1-CE1 4.47Å; L453-F608 HydrophobicContact CD1-CE2 4.17Å; L453-F608 HydrophobicContact CD1-CZ 3.79Å; Y456-F608 AromaticContact CD1-CZ 3.94Å; Y456-F608 HydrophobicContact CD1-CZ 3.94Å; Y456-F608 HydrophobicContact CD2-CZ 4.39Å; Y456-F608 HydrophobicContact CG-CE1 4.11Å; Y456-F608 AromaticContact CG-CZ 3.74Å; Y456-F608 HydrophobicContact CG-CZ 3.74Å; H589-F608 WeakPolarHBondContact O-CB 3.46Å; H589-F608 PolarHBondContact O-N 2.81Å; V591-F608 HydrophobicContact CB-CE2 4.28Å; V591-F608 HydrophobicContact CG2-CE2 3.67Å; V591-F608 HydrophobicContact CG2-CZ 4.2Å; I606-F608 HydrophobicContact CG2-CE2 3.95Å; I606-F608 HydrophobicContact CG2-CZ 4.38Å; I606-F608 WeakPolarHBondContact O-CD2 3.41Å; F608-V610 PolarHBondContact O-N 3.18Å
609D96.9Very high93.1Very high152 Ų15278 Ų7881%0.81339%0.385SS*.SBendtrans-77.467.1175.5-17131000111.1R452R452-D609 PolarHBondContact NH1-O 2.62Å
610V97.7Very high93.7Very high13 Ų1374.3 Ų74.38%0.07938%0.376CS..  trans-144.5113.7175.3-175.10000107.6R445 L448 R452 H589 F608R445-V610 HydrophobicContact CB-CG1 4.31Å; R445-V610 WeakPolarHBondContact O-CG1 3.29Å; L448-V610 HydrophobicContact CB-CG1 4.25Å; L448-V610 HydrophobicContact CD2-CG1 4.11Å; L448-V610 HydrophobicContact CD2-CG2 4.22Å; L448-V610 HydrophobicContact CG-CG1 4.19Å; L448-V610 HydrophobicContact CG-CG2 3.97Å; R452-V610 HydrophobicContact CG-CG2 4.11Å; H589-V610 WeakPolarHBondContact ND1-CG1 3.5Å; H589-V610 PolarHBondContact ND1-O 2.87Å; F608-V610 PolarHBondContact O-N 3.18Å
611E96.8Very high93.2Very high134 Ų13480.7 Ų80.763%0.62640%0.404SS*.  trans-56.8146.9178.3-64.9-177.2158.500112.2R445 H589R445-E611 WeakPolarHBondContact CD-O 3.46Å; R445-E611 IonicContact CZ-OE2 2.93Å; R445-E611 VanDerWaalsContact CZ-OE2 3.29Å; R445-E611 IonicContact NE-OE2 3.65Å; R445-E611 IonicContact NH1-OE2 2.85Å; R445-E611 IonicContact NH2-OE2 3.04Å; R445-E611 PolarHBondContact NH2-OE2 3.05Å; H589-E611 PolarHBondContact CE1-O 3.08Å; H589-E611 VanDerWaalsContact CE1-O 3.24Å; H589-E611 PolarHBondContact ND1-O 2.93Å
612A96.9Very high91.7Very high36 Ų3683.6 Ų83.630%0.29842%0.421SS..  trans-150.1155.8172.200000110E427 L588E427-A612 HydrophobicContact CB-CB 4.44Å; E427-A612 WeakPolarHBondContact OE1-CA 3.4Å; L588-A612 HydrophobicContact CB-CB 3.64Å; L588-A612 HydrophobicContact CD1-CB 4.06Å
613V96.1Very high89.1Confident45 Ų4583.6 Ų83.627%0.27343%0.433SS..  trans-62.1143.9167.7-64.80000111.9E427 N431 L588 T615E427-V613 HydrophobicContact CG-CG2 4.35Å; E427-V613 PolarHBondContact OE1-N 3.33Å; N431-V613 HydrophobicContact CB-CG2 3.84Å; L588-V613 HydrophobicContact CD1-CG2 4.12Å; V613-T615 HydrophobicContact CG2-CG2 4.05Å
614D94.7Very high86.4Confident110 Ų11086.4 Ų86.459%0.58845%0.449SS*.  trans-84.8124.8165.6-166.5-0.3000109.5R585 H616R585-D614 IonicContact NH1-OD2 3.25Å; D614-H616 WeakPolarHBondContact OD1-CB 3.08Å; D614-H616 PolarHBondContact OD1-N 3.02Å
615T91.8Very high83.3Confident30 Ų3089.2 Ų89.218%0.18447%0.47CS..  trans-112.16179.245.80000111.8R424 N431 Q563 V613R424-T615 PolarHBondContact NH1-OG1 3.08Å; R424-T615 PolarHBondContact NH2-OG1 3.04Å; N431-T615 HydrophobicContact CB-CG2 4.43Å; Q563-T615 PolarHBondContact NE2-O 3.37Å; Q563-T615 PolarHBondContact OE1-OG1 3.29Å; Q563-T615 VanDerWaalsContact OE1-OG1 3.07Å; V613-T615 HydrophobicContact CG2-CG2 4.05Å
616H92.3Very high80.1Confident27 Ų2789.8 Ų89.813%0.12548%0.477CS..  trans-69141175.2-169.476.6000111.2R567 Y583 R585 D614 D618R567-H616 PolarHBondContact NH2-CE1 3.11Å; R567-H616 VanDerWaalsContact NH2-CE1 3.28Å; R567-H616 PolarHBondContact NH2-ND1 3.01Å; R567-H616 VanDerWaalsContact NH2-ND1 3.11Å; Y583-H616 PolarHBondContact O-CE1 2.78Å; Y583-H616 VanDerWaalsContact O-CE1 3.26Å; R585-H616 WeakPolarHBondContact CG-CE1 3.43Å; R585-H616 VanDerWaalsContact CZ-CD2 3.42Å; R585-H616 PolarHBondContact NH2-CD2 3.36Å; R585-H616 VanDerWaalsContact NH2-CD2 3.31Å; D614-H616 WeakPolarHBondContact OD1-CB 3.08Å; D614-H616 PolarHBondContact OD1-N 3.02Å; H616-D618 IonicContact CD2-OD1 2.91Å; H616-D618 PolarHBondContact CD2-OD1 3.06Å; H616-D618 VanDerWaalsContact CD2-OD1 3.31Å; H616-D618 IonicContact NE2-OD1 3.93Å; H616-D618 PolarHBondContact NE2-OD1 3.45Å; H616-D618 VanDerWaalsContact NE2-OD1 3.15Å
617R88.8Confident76.9Confident83 Ų8393.4 Ų93.431%0.31351%0.507SS..  trans-125.7121.4166.1-77.4-172.7165.9-154.4-6.5107.6Y508 F519Y508-R617 VanDerWaalsContact CD1-NH1 3.34Å; F519-R617 VanDerWaalsContact CZ-NH1 3.31Å
618D89.1Confident73.6Confident103 Ų10393.3 Ų93.355%0.55151%0.509SS*.PPolyproline II helixtrans-65.2163174.8-61.2-58000110.2R585 H616R585-D618 IonicContact CZ-OD1 3.17Å; R585-D618 IonicContact NE-OD1 3.73Å; R585-D618 IonicContact NH2-OD1 3.29Å; R585-D618 PolarHBondContact NH2-OD1 3.04Å; R585-D618 IonicContact NH2-OD2 2.67Å; R585-D618 PolarHBondContact NH2-OD2 3.03Å; H616-D618 IonicContact CD2-OD1 2.91Å; H616-D618 PolarHBondContact CD2-OD1 3.06Å; H616-D618 VanDerWaalsContact CD2-OD1 3.31Å; H616-D618 IonicContact NE2-OD1 3.93Å; H616-D618 PolarHBondContact NE2-OD1 3.45Å; H616-D618 VanDerWaalsContact NE2-OD1 3.15Å
619R87Confident70.5Confident149 Ų14999.7 Ų99.756%0.56254%0.544SS*.PPolyproline II helixtrans-63.9129.5175.2-174.9173.3-179177.90.8109.3Y583 N621Y583-R619 HydrophobicContact CD1-CB 3.71Å; Y583-R619 HydrophobicContact CD1-CG 4.37Å; Y583-R619 HydrophobicContact CD2-CB 4.26Å; Y583-R619 HydrophobicContact CD2-CG 4.38Å; Y583-R619 VanDerWaalsContact CE1-CA 3.45Å; Y583-R619 HydrophobicContact CE1-CB 3.72Å; Y583-R619 HydrophobicContact CE1-CG 3.97Å; Y583-R619 HydrophobicContact CE2-CB 4.26Å; Y583-R619 HydrophobicContact CE2-CG 3.96Å; Y583-R619 HydrophobicContact CG-CB 3.98Å; R619-N621 PolarHBondContact O-N 3.34Å
620P83.5Confident67.3Low43 Ų43100 Ų10028%0.27955%0.546SS..PPolyproline II helixtrans-58.3136.4174.1-21.531.7000110.4D523 V622D523-P620 HydrophobicContact CB-CG 3.89Å; P620-V622 HydrophobicContact CB-CG2 4.07Å; P620-V622 PolarHBondContact O-N 3.29Å
621N74.7Confident64.1Low161 Ų161103.2 Ų103.286%0.86158%0.582SS**  trans-71.476.8165.1-74.7-18.2000107.7R619 C623R619-N621 PolarHBondContact O-N 3.34Å; N621-C623 PolarHBondContact O-N 3.37Å
622V58.9Low61Low85 Ų85100.2 Ų100.252%0.51559%0.587SS.*  trans-72.293166.9-1700000105.5P620 I624P620-V622 HydrophobicContact CB-CG2 4.07Å; P620-V622 PolarHBondContact O-N 3.29Å; V622-I624 PolarHBondContact O-N 3.08Å
623C39.4Very low57.9Low112 Ų112106.8 Ų106.876%0.75762%0.616SS**  trans-58.497.1157.4-710000105.3N621 P625N621-C623 PolarHBondContact O-N 3.37Å; C623-P625 WeakPolarHBondContact O-CD 3.43Å
624I39.2Very low55Low138 Ų138109.4 Ų109.471%0.70864%0.642SS**  trans-55.9114.9162.6-58.2172.1000103.5V622 T626V622-I624 PolarHBondContact O-N 3.08Å; I624-T626 VanDerWaalsContact C-N 3.33Å; I624-T626 PolarHBondContact O-N 3.45Å
625P33.1Very low52.1Low114 Ų114112.7 Ų112.774%0.7465%0.654SS**  trans-60.9106.4175.6-16.530.1000105.9C623 S627C623-P625 WeakPolarHBondContact O-CD 3.43Å; P625-S627 PolarHBondContact O-N 3.24Å
626T31.2Very low49.2Very low113 Ų113120.7 Ų120.769%0.69369%0.686SS**  trans-61.193.9165.544.90000105.4I624 Q628I624-T626 VanDerWaalsContact C-N 3.33Å; I624-T626 PolarHBondContact O-N 3.45Å; T626-Q628 VanDerWaalsContact C-N 3.27Å; T626-Q628 PolarHBondContact O-N 3.42Å
627S31.1Very low46.7Very low116 Ų116131.2 Ų131.281%0.81174%0.742SS**  trans12.369.3165.762.30000113.9P625P625-S627 PolarHBondContact O-N 3.24Å
628Q29.1Very low44.6Very low173 Ų173133.6 Ų133.681%0.80876%0.763SS**  trans-92.3108.8165.8-81.5-166.3-5.700105.7T626 N630T626-Q628 VanDerWaalsContact C-N 3.27Å; T626-Q628 PolarHBondContact O-N 3.42Å; Q628-N630 PolarHBondContact O-N 3.13Å; Q628-N630 VanDerWaalsContact O-N 3.13Å
629N32.1Very low42.2Very low157 Ų157135.2 Ų135.284%0.8477%0.774SS**  trans-17.4108.9160.5-78.4-22.9000112.4
630N30.4Very low39.7Very low158 Ų158134.4 Ų134.485%0.84579%0.786SS**  trans-137.289.8152.9-88.5-24.3000107.2Q628Q628-N630 PolarHBondContact O-N 3.13Å; Q628-N630 VanDerWaalsContact O-N 3.13Å
631G29.2Very low37.1Very low81 Ų81139.8 Ų139.884%0.83582%0.816SS**  trans-56.5137.7146.600000108.2
632G33.1Very low34.8Very low71 Ų71138.5 Ų138.573%0.73281%0.813SS**  trans11858.7176.500000114.2
633L30.3Very low33.2Very low174 Ų174142.1 Ų142.191%0.91183%0.833SS**  trans-150.251.3149.4-140.683.7000110.5
634A35.4Very low32.7Very low99 Ų99144.2 Ų144.282%0.81884%0.838SS**  trans-112.716.6169.900000112.4
635E33.6Very low32.3Very low179 Ų179144.7 Ų144.784%0.83685%0.848SS**SBendtrans-123.4119.5168.6-75.7-173.1166.500109.5
636K31.8Very low32.2Very low199 Ų199147.3 Ų147.387%0.86586%0.857SS**  trans91.567.1178.3-55.8178.8177.8177.20116.6
637L39Very low32.3Very low247 Ų247150.4 Ų150.4100%1.29387%0.872SS**  -1700120.1-93.1159.8000107.3

Retrieved 637 of 637 residues in 518.1 ms (Link to these results)

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