A0A3Q0KUB9_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KUB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,321 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
1M54.7Low56.8Low90 Ų9086 Ų8644%0.44341%0.41SS..  0-700-161.91749400111.2H3 H4 L5 I628M1-H3 VanDerWaalsContact C-N 3.27Å; M1-H3 PolarHBondContact O-N 2.9Å; M1-H4 PolarHBondContact O-N 3.18Å; M1-L5 HydrophobicContact CG-CD1 4.42Å; M1-L5 PolarHBondContact O-N 3.2Å; M1-I628 HydrophobicContact CE-CD1 4.27Å; M1-I628 HydrophobicContact CE-CG1 4.44Å; M1-I628 HydrophobicContact CG-CD1 3.97Å; M1-I628 HydrophobicContact CG-CG1 4.44Å; M1-I628 HydrophobicContact SD-CD1 3.86Å; M1-I628 HydrophobicContact SD-CG1 3.78Å
2K55.4Low56.4Low111 Ų11183.8 Ų83.848%0.48341%0.405SS..Hα-helixtrans-49.1-45.7175-169.9171.4-175.5163.70113.2H4 L5 Q6K2-H4 PolarHBondContact O-N 3.33Å; K2-L5 PolarHBondContact O-N 3.32Å; K2-Q6 WeakPolarHBondContact O-CB 3.26Å; K2-Q6 PolarHBondContact O-N 3.4Å
3H57Low55.8Low145 Ų14590.8 Ų90.867%0.67144%0.438SS*.Hα-helixtrans-62.7-32.9175.1-169.9-68.4000114.4M1 C7M1-H3 VanDerWaalsContact C-N 3.27Å; M1-H3 PolarHBondContact O-N 2.9Å; H3-C7 WeakPolarHBondContact O-CB 3.13Å; H3-C7 PolarHBondContact O-N 3.06Å
4H58.8Low54.9Low73 Ų7395.4 Ų95.434%0.33847%0.465SS..Hα-helixtrans-76.8-43.5178.2-87.338.1000111.3M1 K2 Q6 C7 L8M1-H4 PolarHBondContact O-N 3.18Å; K2-H4 PolarHBondContact O-N 3.33Å; H4-Q6 PolarHBondContact O-N 3.35Å; H4-C7 WeakPolarHBondContact O-CB 3.3Å; H4-C7 PolarHBondContact O-N 3.25Å; H4-L8 PolarHBondContact O-N 3.12Å
5L60.8Low54.4Low5 Ų593.9 Ų93.93%0.02648%0.475CS..Hα-helixtrans-60.5-36171.8-65.8169.8000111.1M1 K2 W9 V27 I628 I679 I682M1-L5 HydrophobicContact CG-CD1 4.42Å; M1-L5 PolarHBondContact O-N 3.2Å; K2-L5 PolarHBondContact O-N 3.32Å; L5-W9 PolarHBondContact O-N 2.81Å; L5-V27 HydrophobicContact CD2-CG2 3.68Å; L5-I628 HydrophobicContact CD1-CD1 3.91Å; L5-I628 HydrophobicContact CD2-CD1 4.3Å; L5-I628 HydrophobicContact CG-CD1 4.49Å; L5-I679 HydrophobicContact CD2-CD1 4.23Å; L5-I679 HydrophobicContact CD2-CG1 3.71Å; L5-I682 HydrophobicContact CB-CD1 3.41Å; L5-I682 VanDerWaalsContact CB-CD1 3.41Å; L5-I682 HydrophobicContact CD1-CD1 3.44Å; L5-I682 VanDerWaalsContact CD1-CD1 3.44Å; L5-I682 HydrophobicContact CG-CD1 4.05Å
6Q59.5Low54.2Low69 Ų6991.5 Ų91.532%0.32247%0.467SS..Hα-helixtrans-75.6-19173.8-167.8157.210.900113.9K2 H4 W9 N686K2-Q6 WeakPolarHBondContact O-CB 3.26Å; K2-Q6 PolarHBondContact O-N 3.4Å; H4-Q6 PolarHBondContact O-N 3.35Å; Q6-W9 WeakPolarHBondContact O-CB 3.47Å; Q6-N686 PolarHBondContact NE2-ND2 3.46Å
7C55.5Low54.4Low61 Ų6187.4 Ų87.441%0.41245%0.447SS..Hα-helixtrans-81.9-39.3170.5-171.30000110.7H3 H4 W9 N10H3-C7 WeakPolarHBondContact O-CB 3.13Å; H3-C7 PolarHBondContact O-N 3.06Å; H4-C7 WeakPolarHBondContact O-CB 3.3Å; H4-C7 PolarHBondContact O-N 3.25Å; C7-W9 PolarHBondContact O-N 3.35Å; C7-N10 PolarHBondContact O-N 2.81Å
8L56.8Low54.9Low31 Ų3190.7 Ų90.716%0.16247%0.465CS..Hα-helixtrans-59.6-37.8169.5-74.1167.8000111.5H4 N10 K11 V23 V27H4-L8 PolarHBondContact O-N 3.12Å; L8-N10 PolarHBondContact O-N 2.93Å; L8-K11 PolarHBondContact O-N 3.48Å; L8-V23 HydrophobicContact CD1-CG1 3.95Å; L8-V23 HydrophobicContact CD2-CG2 4.15Å; L8-V27 HydrophobicContact CD1-CG2 3.98Å
9W54.3Low55.5Low72 Ų7286.8 Ų86.827%0.27345%0.445SS..Hα-helixtrans-50.5-52.4170.2173.7-64.9000113L5 Q6 C7 K11 V12 I682 K683 N686L5-W9 PolarHBondContact O-N 2.81Å; Q6-W9 WeakPolarHBondContact O-CB 3.47Å; C7-W9 PolarHBondContact O-N 3.35Å; W9-K11 PolarHBondContact O-N 3.32Å; W9-V12 PolarHBondContact O-N 3.45Å; W9-V12 VanDerWaalsContact O-N 3.15Å; W9-I682 HydrophobicContact CE3-CG2 3.99Å; W9-I682 HydrophobicContact CZ3-CG2 3.98Å; W9-I682 WeakPolarHBondContact CZ3-O 3.46Å; W9-K683 HydrophobicContact CD2-CG 4.3Å; W9-K683 HydrophobicContact CE3-CB 4.47Å; W9-K683 HydrophobicContact CE3-CG 3.57Å; W9-K683 HydrophobicContact CH2-CB 3.93Å; W9-K683 HydrophobicContact CH2-CG 3.64Å; W9-K683 HydrophobicContact CZ2-CG 4.28Å; W9-K683 HydrophobicContact CZ3-CB 3.78Å; W9-K683 HydrophobicContact CZ3-CG 3.33Å; W9-K683 VanDerWaalsContact CZ3-N 3.33Å; W9-N686 HydrophobicContact CH2-CB 3.71Å; W9-N686 HydrophobicContact CZ3-CB 4.04Å; W9-N686 VanDerWaalsContact CZ3-ND2 3.26Å; W9-N686 WeakPolarHBondContact CZ3-ND2 3.42Å
10N57.2Low56.4Low120 Ų12086.4 Ų86.464%0.64244%0.444SS*.THydrogen-bonded Turntrans-65.9-12-174.1-71.1-3.9000112.7C7 L8C7-N10 PolarHBondContact O-N 2.81Å; L8-N10 PolarHBondContact O-N 2.93Å
11K55.6Low57Low169 Ų16983.6 Ų83.674%0.73543%0.431SS*.THydrogen-bonded Turntrans-94.8-15.7178.8-66.7-172.3176-171.60114L8 W9L8-K11 PolarHBondContact O-N 3.48Å; W9-K11 PolarHBondContact O-N 3.32Å
12V51.7Low57.7Low59 Ų5983.1 Ų83.136%0.35843%0.43SS..  trans-114.587.7-173.2-173.90000108.8W9W9-V12 PolarHBondContact O-N 3.45Å; W9-V12 VanDerWaalsContact O-N 3.15Å
13E48.3Very low58.6Low176 Ų17678.7 Ų78.782%0.82241%0.413SS*.  trans-76.1-25.1-167.2-106.7178.3-178.900115.3
14N43.7Very low59.5Low154 Ų15471.8 Ų71.882%0.82438%0.381SS*.SBendtrans-160.8152.2175.3-82.3-49.1000110
15A46.7Very low60.3Low74 Ų7471.3 Ų71.361%0.61238%0.376SS*.SBendtrans87.1163.6-178.900000116.2
16P52.1Low60.9Low55 Ų5572.9 Ų72.936%0.35739%0.386SS..  trans-59.4142.2-172-9.119.9000110.7I18 P761P16-I18 PolarHBondContact O-N 2.74Å; P16-P761 HydrophobicContact CB-CG 3.64Å; P16-P761 HydrophobicContact CG-CG 3.39Å
17V57.7Low61.7Low21 Ų2170 Ų7013%0.12737%0.373CS..  trans-71.5100.2-177.5-177.40000109.1V19 I679V17-V19 HydrophobicContact CG1-CG2 4.36Å; V17-V19 PolarHBondContact O-N 3.01Å; V17-I679 HydrophobicContact CB-CG2 4.38Å; V17-I679 HydrophobicContact CG1-CD1 3.74Å; V17-I679 HydrophobicContact CG1-CG2 4.11Å; V17-I679 HydrophobicContact CG2-CG2 3.81Å
18I62.1Low62.8Low148 Ų14867.1 Ų67.176%0.75935%0.353SS*.  trans-72.6112.4169.8-58.3173.8000107.7P16 N20P16-I18 PolarHBondContact O-N 2.74Å; I18-N20 PolarHBondContact O-N 2.85Å
19V67.8Low63.6Low16 Ų1668.4 Ų68.410%0.09736%0.356CS..  trans-84.290.3177.7178.80000109.1V17 V23 V24 I675 T676 I679V17-V19 HydrophobicContact CG1-CG2 4.36Å; V17-V19 PolarHBondContact O-N 3.01Å; V19-V23 HydrophobicContact CG1-CB 4.18Å; V19-V23 HydrophobicContact CG1-CG1 3.87Å; V19-V24 HydrophobicContact CG1-CG2 3.8Å; V19-I675 HydrophobicContact CG1-CB 4.2Å; V19-I675 HydrophobicContact CG1-CD1 4.19Å; V19-I675 HydrophobicContact CG1-CG2 3.95Å; V19-I675 HydrophobicContact CG2-CB 4.46Å; V19-I675 HydrophobicContact CG2-CG2 4.07Å; V19-T676 WeakPolarHBondContact CG2-OG1 3.16Å; V19-I679 HydrophobicContact CG2-CD1 4.45Å
20N71.9Confident64.6Low78 Ų7866 Ų6642%0.41735%0.348SS..  trans-78.3172.817473.97.7000112.4I18 D22 V23 V24I18-N20 PolarHBondContact O-N 2.85Å; N20-D22 VanDerWaalsContact C-N 3.26Å; N20-D22 PolarHBondContact O-N 2.99Å; N20-D22 PolarHBondContact OD1-N 2.93Å; N20-V23 WeakPolarHBondContact O-CB 3.28Å; N20-V23 PolarHBondContact O-N 2.68Å; N20-V23 VanDerWaalsContact O-N 3.15Å; N20-V23 VanDerWaalsContact OD1-CG2 3.32Å; N20-V23 WeakPolarHBondContact OD1-CG2 3.47Å; N20-V23 PolarHBondContact OD1-N 2.93Å; N20-V24 PolarHBondContact O-N 2.9Å
21T69.9Low65Low28 Ų2863.4 Ų63.417%0.17233%0.334CS..Hα-helixtrans-56.1-37.6-179.7-55.80000112.8V24 R25 L564T21-V24 PolarHBondContact O-N 2.82Å; T21-R25 WeakPolarHBondContact O-CG 3.34Å; T21-R25 PolarHBondContact O-N 3.4Å; T21-L564 HydrophobicContact CG2-CD1 3.86Å; T21-L564 HydrophobicContact CG2-CG 4.14Å
22D70Confident65.6Low80 Ų8058.7 Ų58.743%0.42831%0.314SS..Hα-helixtrans-68.8-35179.9-64.1-36.1000113.1N20 V24 R25 T26N20-D22 VanDerWaalsContact C-N 3.26Å; N20-D22 PolarHBondContact O-N 2.99Å; N20-D22 PolarHBondContact OD1-N 2.93Å; D22-V24 VanDerWaalsContact C-N 3.34Å; D22-R25 PolarHBondContact O-N 3.4Å; D22-R25 IonicContact OD1-CZ 3.72Å; D22-R25 IonicContact OD1-NH1 3.06Å; D22-R25 PolarHBondContact OD1-NH1 3.06Å; D22-T26 WeakPolarHBondContact O-CB 3.23Å; D22-T26 PolarHBondContact O-N 3.25Å; D22-T26 PolarHBondContact O-OG1 3.48Å
23V72.9Confident66.4Low18 Ų1859.6 Ų59.611%0.10932%0.321CS..Hα-helixtrans-60.5-47.1171171.90000109.4L8 V19 N20 R25 T26 V27 I675 I679L8-V23 HydrophobicContact CD1-CG1 3.95Å; L8-V23 HydrophobicContact CD2-CG2 4.15Å; V19-V23 HydrophobicContact CG1-CB 4.18Å; V19-V23 HydrophobicContact CG1-CG1 3.87Å; N20-V23 WeakPolarHBondContact O-CB 3.28Å; N20-V23 PolarHBondContact O-N 2.68Å; N20-V23 VanDerWaalsContact O-N 3.15Å; N20-V23 VanDerWaalsContact OD1-CG2 3.32Å; N20-V23 WeakPolarHBondContact OD1-CG2 3.47Å; N20-V23 PolarHBondContact OD1-N 2.93Å; V23-R25 PolarHBondContact O-N 3.18Å; V23-T26 PolarHBondContact O-N 3.08Å; V23-V27 HydrophobicContact CG1-CG2 4.1Å; V23-V27 VanDerWaalsContact O-CB 3.26Å; V23-V27 WeakPolarHBondContact O-CB 3.44Å; V23-V27 WeakPolarHBondContact O-CG2 3.31Å; V23-V27 PolarHBondContact O-N 3.25Å; V23-I675 HydrophobicContact CG1-CG2 4.11Å; V23-I679 HydrophobicContact CG1-CD1 4.42Å
24V76.2Confident67.4Low0 Ų052.2 Ų52.20%029%0.29CS..Hα-helixtrans-62.9-45.9179.8-169.70000111.4V19 N20 T21 D22 T26 V27 Y28 L564 P670 R672 I675V19-V24 HydrophobicContact CG1-CG2 3.8Å; N20-V24 PolarHBondContact O-N 2.9Å; T21-V24 PolarHBondContact O-N 2.82Å; D22-V24 VanDerWaalsContact C-N 3.34Å; V24-T26 VanDerWaalsContact C-N 3.29Å; V24-T26 PolarHBondContact O-N 2.81Å; V24-V27 PolarHBondContact O-N 3.18Å; V24-Y28 HydrophobicContact CG1-CD2 3.71Å; V24-Y28 HydrophobicContact CG1-CE2 4.02Å; V24-Y28 PolarHBondContact O-N 3.12Å; V24-L564 HydrophobicContact CB-CD1 3.81Å; V24-L564 HydrophobicContact CB-CD2 3.82Å; V24-L564 HydrophobicContact CB-CG 4.4Å; V24-L564 HydrophobicContact CG1-CD1 4.16Å; V24-L564 HydrophobicContact CG1-CD2 3.32Å; V24-L564 HydrophobicContact CG1-CG 4.36Å; V24-L564 HydrophobicContact CG2-CD1 3.68Å; V24-L564 HydrophobicContact CG2-CD2 4.41Å; V24-P670 HydrophobicContact CG1-CB 3.6Å; V24-P670 HydrophobicContact CG1-CG 4.17Å; V24-R672 HydrophobicContact CG2-CG 4.14Å; V24-I675 HydrophobicContact CB-CD1 4.19Å; V24-I675 HydrophobicContact CG1-CD1 3.89Å; V24-I675 HydrophobicContact CG2-CD1 3.83Å
25R75Confident68.9Low63 Ų6346.5 Ų46.524%0.23826%0.262CS..Hα-helixtrans-59.9-39.9176-66.3-179.9-172.6140.4-6.3112.2T21 D22 V23 R29 F30 N31 M561T21-R25 WeakPolarHBondContact O-CG 3.34Å; T21-R25 PolarHBondContact O-N 3.4Å; D22-R25 PolarHBondContact O-N 3.4Å; D22-R25 IonicContact OD1-CZ 3.72Å; D22-R25 IonicContact OD1-NH1 3.06Å; D22-R25 PolarHBondContact OD1-NH1 3.06Å; V23-R25 PolarHBondContact O-N 3.18Å; R25-R29 CarbonylContact O-C 3.6Å; R25-R29 VanDerWaalsContact O-CA 3.28Å; R25-R29 WeakPolarHBondContact O-CA 3.47Å; R25-R29 PolarHBondContact O-N 3.14Å; R25-F30 HydrophobicContact CB-CB 4.06Å; R25-F30 HydrophobicContact CB-CD2 4.24Å; R25-F30 HydrophobicContact CG-CB 4.27Å; R25-F30 HydrophobicContact CG-CD2 4.08Å; R25-F30 PolarHBondContact O-N 3.05Å; R25-N31 WeakPolarHBondContact CB-OD1 3.43Å; R25-N31 WeakPolarHBondContact CD-OD1 3.3Å; R25-M561 PolarHBondContact NH2-O 3.48Å
26T74.1Confident70Confident38 Ų3846 Ų4623%0.23325%0.254CS..Hα-helixtrans-67.2-41.3177.4-58.70000111.5D22 V23 V24 R29 N31D22-T26 WeakPolarHBondContact O-CB 3.23Å; D22-T26 PolarHBondContact O-N 3.25Å; D22-T26 PolarHBondContact O-OG1 3.48Å; V23-T26 PolarHBondContact O-N 3.08Å; V24-T26 VanDerWaalsContact C-N 3.29Å; V24-T26 PolarHBondContact O-N 2.81Å; T26-R29 PolarHBondContact O-N 3.17Å; T26-N31 PolarHBondContact OG1-ND2 3.25Å; T26-N31 VanDerWaalsContact OG1-ND2 3.11Å
27V75.8Confident70.8Confident9 Ų946.2 Ų46.26%0.05525%0.249CC..Hα-helixtrans-67.7-46.9-177162.20000112L5 L8 V23 V24 R29 I628 I675L5-V27 HydrophobicContact CD2-CG2 3.68Å; L8-V27 HydrophobicContact CD1-CG2 3.98Å; V23-V27 HydrophobicContact CG1-CG2 4.1Å; V23-V27 VanDerWaalsContact O-CB 3.26Å; V23-V27 WeakPolarHBondContact O-CB 3.44Å; V23-V27 WeakPolarHBondContact O-CG2 3.31Å; V23-V27 PolarHBondContact O-N 3.25Å; V24-V27 PolarHBondContact O-N 3.18Å; V27-R29 VanDerWaalsContact C-N 3.29Å; V27-I628 HydrophobicContact CG1-CB 4.41Å; V27-I628 HydrophobicContact CG1-CD1 3.19Å; V27-I628 HydrophobicContact CG1-CG1 3.45Å; V27-I628 VanDerWaalsContact CG1-CG1 3.45Å; V27-I675 HydrophobicContact CG1-CD1 4.22Å; V27-I675 HydrophobicContact CG1-CG1 4.15Å; V27-I675 HydrophobicContact CG2-CG2 4.12Å
28Y78.3Confident71.1Confident1 Ų147 Ų470%0.00426%0.261CS..Hα-helixtrans-84.5-2.4175.6-74.5-86.8000113.9V24 F30 S48 L569 V626 P627 I628 Y635 P670 I675V24-Y28 HydrophobicContact CG1-CD2 3.71Å; V24-Y28 HydrophobicContact CG1-CE2 4.02Å; V24-Y28 PolarHBondContact O-N 3.12Å; Y28-F30 HydrophobicContact CD1-CZ 4.48Å; Y28-F30 HydrophobicContact CG-CE1 4.33Å; Y28-F30 HydrophobicContact CG-CE2 4.46Å; Y28-F30 AromaticContact CG-CZ 3.91Å; Y28-F30 HydrophobicContact CG-CZ 3.91Å; Y28-S48 PolarHBondContact O-OG 3.38Å; Y28-L569 HydrophobicContact CD1-CD1 3.55Å; Y28-L569 HydrophobicContact CD1-CD2 4.47Å; Y28-L569 HydrophobicContact CE1-CD1 3.34Å; Y28-L569 HydrophobicContact CG-CD1 4.43Å; Y28-V626 PolarHBondContact OH-O 3.28Å; Y28-P627 VanDerWaalsContact OH-C 3.32Å; Y28-I628 PolarHBondContact OH-N 2.74Å; Y28-Y635 HydrophobicContact CD1-CE2 4.2Å; Y28-P670 HydrophobicContact CD2-CB 3.97Å; Y28-P670 HydrophobicContact CD2-CG 4.34Å; Y28-P670 HydrophobicContact CE2-CB 3.52Å; Y28-P670 HydrophobicContact CE2-CG 4.28Å; Y28-I675 HydrophobicContact CE2-CD1 3.98Å; Y28-I675 HydrophobicContact CE2-CG1 4.47Å
29R74.4Confident71.3Confident57 Ų5746 Ų4622%0.21526%0.258CS..THydrogen-bonded Turntrans66.335.2177-47.6178.8-167.6177.54.7114.8R25 T26 V27 N31 Y46R25-R29 CarbonylContact O-C 3.6Å; R25-R29 VanDerWaalsContact O-CA 3.28Å; R25-R29 WeakPolarHBondContact O-CA 3.47Å; R25-R29 PolarHBondContact O-N 3.14Å; T26-R29 PolarHBondContact O-N 3.17Å; V27-R29 VanDerWaalsContact C-N 3.29Å; R29-N31 VanDerWaalsContact C-N 3.26Å; R29-N31 PolarHBondContact O-N 2.99Å; R29-Y46 WeakPolarHBondContact CD-O 3.33Å; R29-Y46 PolarHBondContact NH1-O 2.99Å
30F74.3Confident71.3Confident22 Ų2246.4 Ų46.410%0.09626%0.261CS..THydrogen-bonded Turntrans-71.1-21.5172.2-51.4-28.2000112.7R25 Y28 Q32 L545 V567 L569 A637 P670R25-F30 HydrophobicContact CB-CB 4.06Å; R25-F30 HydrophobicContact CB-CD2 4.24Å; R25-F30 HydrophobicContact CG-CB 4.27Å; R25-F30 HydrophobicContact CG-CD2 4.08Å; R25-F30 PolarHBondContact O-N 3.05Å; Y28-F30 HydrophobicContact CD1-CZ 4.48Å; Y28-F30 HydrophobicContact CG-CE1 4.33Å; Y28-F30 HydrophobicContact CG-CE2 4.46Å; Y28-F30 AromaticContact CG-CZ 3.91Å; Y28-F30 HydrophobicContact CG-CZ 3.91Å; F30-Q32 PolarHBondContact O-N 2.72Å; F30-L545 HydrophobicContact CD1-CD1 4.43Å; F30-V567 HydrophobicContact CD2-CG1 4.39Å; F30-V567 HydrophobicContact CE1-CG1 4.11Å; F30-V567 HydrophobicContact CE2-CB 4.34Å; F30-V567 HydrophobicContact CE2-CG1 3.78Å; F30-V567 HydrophobicContact CZ-CG1 3.61Å; F30-L569 HydrophobicContact CE1-CD2 3.96Å; F30-L569 HydrophobicContact CZ-CD2 3.92Å; F30-A637 HydrophobicContact CD1-CB 3.9Å; F30-A637 HydrophobicContact CE1-CB 3.43Å; F30-A637 VanDerWaalsContact CE1-CB 3.43Å; F30-A637 HydrophobicContact CZ-CB 4.32Å; F30-P670 HydrophobicContact CE2-CG 4.21Å; F30-P670 HydrophobicContact CZ-CG 4.21Å
31N65.7Low71Confident66 Ų6649.8 Ų49.835%0.35328%0.275SS..THydrogen-bonded Turntrans-75.3-3.9-178-69.9-13.8000114.6R25 T26 R29R25-N31 WeakPolarHBondContact CB-OD1 3.43Å; R25-N31 WeakPolarHBondContact CD-OD1 3.3Å; T26-N31 PolarHBondContact OG1-ND2 3.25Å; T26-N31 VanDerWaalsContact OG1-ND2 3.11Å; R29-N31 VanDerWaalsContact C-N 3.26Å; R29-N31 PolarHBondContact O-N 2.99Å
32Q70.1Confident71Confident70 Ų7053.5 Ų53.533%0.32730%0.297SS..SBendtrans-88.1138.1178.2-63.3-174.3-26.800109.5F30 A34 L47F30-Q32 PolarHBondContact O-N 2.72Å; Q32-A34 PolarHBondContact O-N 3.35Å; Q32-L47 HydrophobicContact CB-CD1 3.91Å; Q32-L47 HydrophobicContact CB-CG 4.39Å; Q32-L47 VanDerWaalsContact OE1-CD1 3.24Å
33P68.1Low70.7Confident78 Ų7851.1 Ų51.151%0.50629%0.286SS..PPolyproline II helixtrans-56.5133.6176.524.1-32.6000109.3I549P33-I549 HydrophobicContact CB-CD1 4.27Å; P33-I549 HydrophobicContact CG-CD1 4.49Å
34A68.7Low70.9Confident20 Ų2051.6 Ų51.617%0.16529%0.29CS..PPolyproline II helixtrans-61.7142.9175.400000108.9Q32 S36 D547Q32-A34 PolarHBondContact O-N 3.35Å; A34-S36 PolarHBondContact O-N 3.4Å; A34-D547 PolarHBondContact N-OD1 3.4Å
35C74.4Confident70.8Confident34 Ų3458.3 Ų58.323%0.2332%0.319CS..PPolyproline II helixtrans-58.3131.9169.1-57.20000108.2C40 N52C35-C40 VanDerWaalsContact CB-SG 3.6Å; C35-C40 PolarHBondContact SG-SG 2.92Å; C35-N52 WeakPolarHBondContact CB-ND2 3.27Å
36S70.9Confident70.7Confident63 Ų6363.9 Ų63.944%0.44134%0.341SS..PPolyproline II helixtrans-54.3145.516536.50000109.4A34 G38 N39 N52A34-S36 PolarHBondContact O-N 3.4Å; S36-G38 PolarHBondContact O-N 3.21Å; S36-N39 PolarHBondContact O-N 3.21Å; S36-N39 PolarHBondContact OG-ND2 3.22Å; S36-N52 PolarHBondContact O-ND2 3.23Å
37F68Low71Confident60 Ų6063.2 Ų63.226%0.26334%0.336SS..THydrogen-bonded Turntrans-55.3134.2178.6-72.7-66.7000109.8N39 L51 N52 L60 L540 K544F37-N39 VanDerWaalsContact C-N 3.35Å; F37-N39 PolarHBondContact O-N 2.84Å; F37-L51 HydrophobicContact CE1-CB 4.39Å; F37-N52 WeakPolarHBondContact CA-OD1 3.14Å; F37-N52 WeakPolarHBondContact CD1-OD1 3Å; F37-L60 HydrophobicContact CB-CD1 4Å; F37-L60 WeakPolarHBondContact O-CD1 3.3Å; F37-L540 HydrophobicContact CD1-CD1 4.1Å; F37-L540 HydrophobicContact CE1-CB 3.62Å; F37-L540 HydrophobicContact CE1-CD1 3.81Å; F37-L540 HydrophobicContact CE1-CD2 4.32Å; F37-L540 HydrophobicContact CE1-CG 4.15Å; F37-L540 HydrophobicContact CE2-CB 4.46Å; F37-L540 HydrophobicContact CZ-CB 3.58Å; F37-K544 HydrophobicContact CE2-CD 4.45Å
38G63.7Low71.4Confident37 Ų3763.3 Ų63.338%0.38134%0.337SS..THydrogen-bonded Turntrans86.7-22.2178.200000117.3S36 C40 N52 L60S36-G38 PolarHBondContact O-N 3.21Å; G38-C40 PolarHBondContact O-N 3.11Å; G38-N52 PolarHBondContact N-OD1 2.8Å; G38-L60 VanDerWaalsContact N-CD1 3.3Å
39N66.5Low71.7Confident127 Ų12763.6 Ų63.668%0.67934%0.339SS*.SBendtrans-66.9-6.2179.4-79.413.5000113.8S36 F37S36-N39 PolarHBondContact O-N 3.21Å; S36-N39 PolarHBondContact OG-ND2 3.22Å; F37-N39 VanDerWaalsContact C-N 3.35Å; F37-N39 PolarHBondContact O-N 2.84Å
40C69.1Low72.2Confident25 Ų2560.9 Ų60.917%0.16933%0.329CS..  trans-130.3104.5177.1-50.30000110.1C35 G38 T42 C44 N52C35-C40 VanDerWaalsContact CB-SG 3.6Å; C35-C40 PolarHBondContact SG-SG 2.92Å; G38-C40 PolarHBondContact O-N 3.11Å; C40-T42 PolarHBondContact O-N 2.82Å; C40-C44 PolarHBondContact SG-SG 3.16Å; C40-N52 HydrophobicContact CB-CB 3.76Å; C40-N52 WeakPolarHBondContact O-CB 3.35Å
41Q65.2Low72.7Confident150 Ų15060.2 Ų60.270%0.70133%0.326SS*.SBendtrans-66.2-22.4175-66.6-179.30.100112.7
42T69.3Low73.4Confident106 Ų10657.6 Ų57.665%0.6531%0.312SS*.SBendtrans-118.2153.4177.862.30000110.4C40 C44C40-T42 PolarHBondContact O-N 2.82Å; T42-C44 PolarHBondContact O-N 2.8Å
43T65.2Low73.9Confident30 Ų3055.8 Ų55.818%0.18431%0.312CS..  trans-57.2113.3173.956.80000110.2K45 N52 G53 L54T43-K45 PolarHBondContact O-N 2.86Å; T43-N52 WeakPolarHBondContact CA-O 3.47Å; T43-G53 VanDerWaalsContact CG2-O 3.23Å; T43-G53 WeakPolarHBondContact CG2-O 3.44Å; T43-L54 HydrophobicContact CG2-CD2 3.75Å; T43-L54 HydrophobicContact CG2-CG 4.4Å
44C75.7Confident74.5Confident28 Ų2852.1 Ų52.119%0.18929%0.288CS..  trans-59.2106.6174.7-74.30000109.9C40 T42 Y46 L47 C50C40-C44 PolarHBondContact SG-SG 3.16Å; T42-C44 PolarHBondContact O-N 2.8Å; C44-Y46 PolarHBondContact O-N 2.86Å; C44-L47 HydrophobicContact CB-CB 4.07Å; C44-C50 HydrophobicContact CB-CB 3.76Å
45K74.1Confident74.9Confident140 Ų14052.2 Ų52.261%0.60929%0.286SS*.SBendtrans-67.7-19.4178.7-65-176.5-179.9178.80112.8T43T43-K45 PolarHBondContact O-N 2.86Å
46Y73.8Confident74.8Confident180 Ų18059 Ų5971%0.70631%0.311SS*.SBendtrans-95.1-20-173.3-56.9-70.8000114.1R29 C44R29-Y46 WeakPolarHBondContact CD-O 3.33Å; R29-Y46 PolarHBondContact NH1-O 2.99Å; C44-Y46 PolarHBondContact O-N 2.86Å
47L80.9Confident74.4Confident25 Ų2559.3 Ų59.313%0.13131%0.311CS..  trans-116.7106.9-174.5-137.8112.2000108.8Q32 C44 S49 C50Q32-L47 HydrophobicContact CB-CD1 3.91Å; Q32-L47 HydrophobicContact CB-CG 4.39Å; Q32-L47 VanDerWaalsContact OE1-CD1 3.24Å; C44-L47 HydrophobicContact CB-CB 4.07Å; L47-S49 VanDerWaalsContact C-N 3.28Å; L47-S49 VanDerWaalsContact CD2-OG 3.27Å; L47-S49 WeakPolarHBondContact CD2-OG 3.48Å; L47-S49 PolarHBondContact O-N 2.82Å; L47-C50 HydrophobicContact CB-CB 3.95Å; L47-C50 HydrophobicContact CD2-CB 4.02Å; L47-C50 WeakPolarHBondContact O-CB 3.16Å; L47-C50 PolarHBondContact O-N 2.99Å
48S83.5Confident73.9Confident10 Ų1060.7 Ų60.77%0.0732%0.321CS..THydrogen-bonded Turntrans-68.9-24.8-176.850.80000113Y28 R636 A637Y28-S48 PolarHBondContact O-OG 3.38Å; S48-R636 WeakPolarHBondContact O-CA 3.43Å; S48-R636 WeakPolarHBondContact O-CD 3.41Å; S48-A637 PolarHBondContact O-N 2.98Å
49S84.4Confident73.6Confident7 Ų760 Ų605%0.04931%0.309CS..THydrogen-bonded Turntrans-82.6-8.217652.70000114.1L47 L51L47-S49 VanDerWaalsContact C-N 3.28Å; L47-S49 VanDerWaalsContact CD2-OG 3.27Å; L47-S49 WeakPolarHBondContact CD2-OG 3.48Å; L47-S49 PolarHBondContact O-N 2.82Å; S49-L51 PolarHBondContact O-N 3.12Å
50C85.5Confident73Confident1 Ų157.3 Ų57.31%0.00729%0.294CS..  trans-78.3115.2-179.2179.40000111.1C44 L47 R636C44-C50 HydrophobicContact CB-CB 3.76Å; L47-C50 HydrophobicContact CB-CB 3.95Å; L47-C50 HydrophobicContact CD2-CB 4.02Å; L47-C50 WeakPolarHBondContact O-CB 3.16Å; L47-C50 PolarHBondContact O-N 2.99Å; C50-R636 VanDerWaalsContact O-CD 3.31Å; C50-R636 WeakPolarHBondContact O-CD 3.23Å; C50-R636 PolarHBondContact O-NE 3.36Å
51L85Confident72.1Confident8 Ų861.7 Ų61.74%0.04232%0.316CS..  trans-92.3-3.7176.5-54.5-177.1000113.2F37 S49 L54 L540 L543 L575 V638F37-L51 HydrophobicContact CE1-CB 4.39Å; S49-L51 PolarHBondContact O-N 3.12Å; L51-L54 HydrophobicContact CB-CD1 4.25Å; L51-L54 HydrophobicContact CD2-CD1 4.08Å; L51-L54 WeakPolarHBondContact O-CB 3.1Å; L51-L54 WeakPolarHBondContact O-CG 3.43Å; L51-L540 HydrophobicContact CB-CD2 3.92Å; L51-L540 HydrophobicContact CD1-CD2 4.02Å; L51-L543 HydrophobicContact CD1-CB 3.68Å; L51-L575 HydrophobicContact CD2-CD2 3.96Å; L51-V638 HydrophobicContact CD2-CG1 4.04Å
52N80.1Confident71Confident11 Ų1159.3 Ų59.36%0.05931%0.305CS..THydrogen-bonded Turntrans-65.6147.7178.2-66.2-30.8000111.8C35 S36 F37 G38 C40 T43 L54C35-N52 WeakPolarHBondContact CB-ND2 3.27Å; S36-N52 PolarHBondContact O-ND2 3.23Å; F37-N52 WeakPolarHBondContact CA-OD1 3.14Å; F37-N52 WeakPolarHBondContact CD1-OD1 3Å; G38-N52 PolarHBondContact N-OD1 2.8Å; C40-N52 HydrophobicContact CB-CB 3.76Å; C40-N52 WeakPolarHBondContact O-CB 3.35Å; T43-N52 WeakPolarHBondContact CA-O 3.47Å; N52-L54 PolarHBondContact O-N 3.09Å
53G79.2Confident69.6Low31 Ų3162.6 Ų62.632%0.3231%0.313SS..THydrogen-bonded Turntrans71.27.7-178.600000115T43T43-G53 VanDerWaalsContact CG2-O 3.23Å; T43-G53 WeakPolarHBondContact CG2-O 3.44Å
54L81.8Confident68.4Low1 Ų165.8 Ų65.81%0.00533%0.332CS..  trans-82.8-20.2170.2-62177.7000112.4T43 L51 N52 T572 L575 R576 L579 N580 R636T43-L54 HydrophobicContact CG2-CD2 3.75Å; T43-L54 HydrophobicContact CG2-CG 4.4Å; L51-L54 HydrophobicContact CB-CD1 4.25Å; L51-L54 HydrophobicContact CD2-CD1 4.08Å; L51-L54 WeakPolarHBondContact O-CB 3.1Å; L51-L54 WeakPolarHBondContact O-CG 3.43Å; N52-L54 PolarHBondContact O-N 3.09Å; L54-T572 HydrophobicContact CD2-CG2 3.68Å; L54-L575 HydrophobicContact CD1-CD2 3.73Å; L54-L575 HydrophobicContact CD1-CG 4.09Å; L54-R576 HydrophobicContact CD2-CB 4.44Å; L54-R576 WeakPolarHBondContact O-CG 3.47Å; L54-L579 HydrophobicContact CB-CD1 3.87Å; L54-L579 HydrophobicContact CD1-CD1 4.01Å; L54-N580 PolarHBondContact O-ND2 2.87Å; L54-R636 HydrophobicContact CD1-CG 4.32Å
55L77.9Confident66.4Low22 Ų2269.3 Ų69.312%0.11536%0.356CS..SBendtrans-88.2141.1175.3-65.4171.4000110.1T57 V59 L536 L540 L579L55-T57 VanDerWaalsContact C-N 3.28Å; L55-T57 WeakPolarHBondContact CB-O 3.23Å; L55-V59 HydrophobicContact CD1-CG2 3.29Å; L55-L536 HydrophobicContact CD1-CB 4.4Å; L55-L536 HydrophobicContact CD1-CD1 4.05Å; L55-L536 HydrophobicContact CD2-CD1 4.01Å; L55-L536 HydrophobicContact CD2-CD2 3.94Å; L55-L540 HydrophobicContact CD1-CD1 3.73Å; L55-L579 HydrophobicContact CD2-CB 3.77Å; L55-L579 WeakPolarHBondContact CD2-O 3.41Å
56K70.6Confident64.3Low177 Ų17769.3 Ų69.377%0.7736%0.363SS*.SBendtrans-69.5-31.4170.8-72.8175.3-178.8175.80111.3N580K56-N580 WeakPolarHBondContact CB-OD1 3.41Å; K56-N580 HydrophobicContact CD-CB 4.41Å; K56-N580 WeakPolarHBondContact CG-OD1 3.49Å; K56-N580 PolarHBondContact N-OD1 2.89Å
57T63.2Low62.4Low70 Ų7069.6 Ų69.643%0.42937%0.368SS..SBendtrans-90.3130177370000110.6L55 V59L55-T57 VanDerWaalsContact C-N 3.28Å; L55-T57 WeakPolarHBondContact CB-O 3.23Å; T57-V59 PolarHBondContact O-N 3.47Å; T57-V59 VanDerWaalsContact O-N 3.07Å
58N58Low60.2Low89 Ų8974.9 Ų74.948%0.47640%0.401SS..  trans-75.296.1171.1-79.7-15.3000108.9L60 N61N58-L60 PolarHBondContact O-N 3.36Å; N58-N61 HydrophobicContact CB-CB 4.19Å
59V57Low57.6Low21 Ų2183.2 Ų83.213%0.12744%0.439CS..THydrogen-bonded Turntrans-57.1-22.7-178.2-176.90000113.3L55 T57 K533 L536 L537L55-V59 HydrophobicContact CD1-CG2 3.29Å; T57-V59 PolarHBondContact O-N 3.47Å; T57-V59 VanDerWaalsContact O-N 3.07Å; V59-K533 HydrophobicContact CG1-CB 4.38Å; V59-K533 HydrophobicContact CG1-CD 4.3Å; V59-K533 HydrophobicContact CG1-CG 3.71Å; V59-K533 WeakPolarHBondContact O-CD 3.5Å; V59-K533 WeakPolarHBondContact O-CE 3.27Å; V59-K533 PolarHBondContact O-NZ 3.26Å; V59-L536 HydrophobicContact CG2-CD1 4.49Å; V59-L537 HydrophobicContact CG1-CD1 4.09Å; V59-L537 HydrophobicContact CG1-CD2 3.79Å; V59-L537 HydrophobicContact CG1-CG 3.72Å
60L54.5Low55.2Low71 Ų7188.8 Ų88.837%0.37248%0.478SS..THydrogen-bonded Turntrans-110.9-12.2-171.5-76.8158.1000116F37 G38 N58 E62F37-L60 HydrophobicContact CB-CD1 4Å; F37-L60 WeakPolarHBondContact O-CD1 3.3Å; G38-L60 VanDerWaalsContact N-CD1 3.3Å; N58-L60 PolarHBondContact O-N 3.36Å; L60-E62 PolarHBondContact O-N 3.46Å
61N48.4Very low52.5Low118 Ų11895 Ų9563%0.63151%0.507SS*.SBendtrans-82.2-1.6178.3-77.121.6000113.6N58N58-N61 HydrophobicContact CB-CB 4.19Å
62E43Very low50.1Low100 Ų10097.8 Ų97.847%0.46753%0.527SS..SBendtrans-103.779.5168-66.5-178.2164.500106.6L60 K529 K533L60-E62 PolarHBondContact O-N 3.46Å; E62-K529 IonicContact OE1-NZ 2.64Å; E62-K529 PolarHBondContact OE1-NZ 2.8Å; E62-K533 PolarHBondContact O-NZ 3.43Å
63E40.7Very low48.2Very low174 Ų174101.9 Ų101.981%0.81356%0.557SS**  trans-60.1137.7167.1-81.8177.8168.700109.1
64T38.3Very low46.2Very low97 Ų97102.1 Ų102.160%0.59556%0.556SS**  trans-56131.9177.135.60000110D66T64-D66 PolarHBondContact O-N 3.01Å
65C33.7Very low44.1Very low102 Ų102107 Ų10769%0.68958%0.578SS**  trans-69.165.3164.6-167.70000109
66D30.3Very low42.1Very low141 Ų141112.1 Ų112.175%0.75460%0.6SS**  trans-93103157.1-91.4-27.7000106.2T64 T68T64-D66 PolarHBondContact O-N 3.01Å; D66-T68 PolarHBondContact O-N 3.26Å; D66-T68 VanDerWaalsContact O-N 3.07Å
67K33.5Very low40.6Very low185 Ų185108.3 Ų108.380%0.80459%0.587SS**SBendtrans-49.5110.7171.7-62.2168.6178.7174.60108.9
68T35.2Very low39.5Very low136 Ų136107.7 Ų107.783%0.83458%0.581SS**  trans161.464.1139.551.90000110.3D66D66-T68 PolarHBondContact O-N 3.26Å; D66-T68 VanDerWaalsContact O-N 3.07Å
69E28.7Very low38.6Very low185 Ų185107.9 Ų107.986%0.86459%0.586SS**SBendtrans-130.8131.5151.9-73.4-166.1170.400107.7E71E69-E71 PolarHBondContact O-N 2.93Å
70S33.7Very low38Very low124 Ų124112.3 Ų112.387%0.86761%0.605SS**  trans-61.493.5-175.349.40000110.4S72S70-S72 PolarHBondContact O-N 3.24Å
71E30.2Very low37.8Very low133 Ų133112.5 Ų112.562%0.62161%0.612SS**  trans-50.2125.9173.9-70.2174.4170.200110.1E69E69-E71 PolarHBondContact O-N 2.93Å
72S34.5Very low38.7Very low66 Ų66109.3 Ų109.346%0.46259%0.591SS.*  trans-63.2148.7-177.470.60000111.1S70 A74 E75S70-S72 PolarHBondContact O-N 3.24Å; S72-A74 PolarHBondContact O-N 2.94Å; S72-E75 PolarHBondContact O-N 3.46Å
73S39.4Very low40.8Very low96 Ų96104.9 Ų104.967%0.67157%0.571SS**Hα-helixtrans-53.3-23.7179.4-47.70000114L77S73-L77 WeakPolarHBondContact O-CG 3.47Å; S73-L77 PolarHBondContact O-N 3.39Å
74A38.5Very low43.2Very low37 Ų3796.6 Ų96.631%0.30653%0.532SS..Hα-helixtrans-68.9-36176.300000112.9S72 L77 L78S72-A74 PolarHBondContact O-N 2.94Å; A74-L77 PolarHBondContact O-N 3.48Å; A74-L78 WeakPolarHBondContact O-CD1 3.28Å; A74-L78 VanDerWaalsContact O-CG 3.31Å; A74-L78 WeakPolarHBondContact O-CG 3.12Å; A74-L78 PolarHBondContact O-N 3.12Å
75E37.7Very low45.9Very low102 Ų10292 Ų9248%0.47750%0.504SS..Hα-helixtrans-73.6-34.1176.7-79.4171.2152.100111.8S72 L78 T79S72-E75 PolarHBondContact O-N 3.46Å; E75-L78 PolarHBondContact O-N 2.93Å; E75-T79 WeakPolarHBondContact O-CB 3.35Å; E75-T79 WeakPolarHBondContact O-CG2 3.49Å; E75-T79 PolarHBondContact O-N 3.22Å; E75-T79 PolarHBondContact O-OG1 3.07Å
76K34.5Very low48.7Very low131 Ų13191 Ų9157%0.5749%0.488SS*.Hα-helixtrans-67.9-31.5173-76.4-177.7178175.70113.6L78 T79K76-L78 VanDerWaalsContact C-N 3.32Å; K76-T79 WeakPolarHBondContact CA-OG1 3.25Å; K76-T79 PolarHBondContact O-OG1 2.94Å
77L39.3Very low51.6Low96 Ų9686.6 Ų86.650%0.50346%0.464SS..Hα-helixtrans-73.3-24.8174.4-77.5163.6000112.6S73 A74S73-L77 WeakPolarHBondContact O-CG 3.47Å; S73-L77 PolarHBondContact O-N 3.39Å; A74-L77 PolarHBondContact O-N 3.48Å
78L41.3Very low54.2Low58 Ų5881.3 Ų81.330%0.30444%0.44SS..Hα-helixtrans-86-15178.3-71.7164.6000114A74 E75 K76 L415A74-L78 WeakPolarHBondContact O-CD1 3.28Å; A74-L78 VanDerWaalsContact O-CG 3.31Å; A74-L78 WeakPolarHBondContact O-CG 3.12Å; A74-L78 PolarHBondContact O-N 3.12Å; E75-L78 PolarHBondContact O-N 2.93Å; K76-L78 VanDerWaalsContact C-N 3.32Å; L78-L415 HydrophobicContact CD2-CD1 3.96Å
79T37.7Very low56.6Low92 Ų9277.2 Ų77.256%0.56443%0.425SS*.  trans-110.817.9-164.9470000116.1E75 K76 S81E75-T79 WeakPolarHBondContact O-CB 3.35Å; E75-T79 WeakPolarHBondContact O-CG2 3.49Å; E75-T79 PolarHBondContact O-N 3.22Å; E75-T79 PolarHBondContact O-OG1 3.07Å; K76-T79 WeakPolarHBondContact CA-OG1 3.25Å; K76-T79 PolarHBondContact O-OG1 2.94Å; T79-S81 PolarHBondContact O-N 3.42Å
80H45.1Very low59.4Low114 Ų11469.6 Ų69.653%0.52839%0.392SS..SBendtrans-71.969.6154.1-68.881.7000107.8R82 Y356 N393H80-R82 PolarHBondContact O-N 3.12Å; H80-Y356 HydrophobicContact CB-CE1 4.32Å; H80-N393 PolarHBondContact O-ND2 2.6Å
81S49.9Very low62.1Low76 Ų7663.7 Ų63.753%0.53135%0.351SS..  trans-64.192.3-170.4-175.90000108.4T79T79-S81 PolarHBondContact O-N 3.42Å
82R68.2Low65.1Low51 Ų5157.4 Ų57.419%0.19232%0.321CS..PPolyproline II helixtrans-68.4139159.9-79-168.1175.6-140.9-1.6107.6H80 G84 D354 V391H80-R82 PolarHBondContact O-N 3.12Å; R82-G84 PolarHBondContact O-N 2.84Å; R82-D354 IonicContact CZ-OD1 3.69Å; R82-D354 IonicContact CZ-OD2 2.77Å; R82-D354 IonicContact NE-OD2 3.21Å; R82-D354 PolarHBondContact NE-OD2 3.08Å; R82-D354 VanDerWaalsContact NE-OD2 3.11Å; R82-D354 IonicContact NH2-OD1 2.71Å; R82-D354 PolarHBondContact NH2-OD1 3.41Å; R82-D354 IonicContact NH2-OD2 3.44Å; R82-D354 PolarHBondContact NH2-OD2 3.1Å; R82-V391 HydrophobicContact CB-CG1 3.87Å; R82-V391 WeakPolarHBondContact O-CB 3.39Å
83N86.4Confident67.9Low6 Ų654.3 Ų54.33%0.03230%0.299CS..PPolyproline II helixtrans-71128.7-175.3-58.2-73.9000110.9Q99 Q133 L134 N137 G140 V142N83-Q99 PolarHBondContact O-NE2 3.14Å; N83-Q133 PolarHBondContact ND2-O 3.12Å; N83-L134 HydrophobicContact CB-CD2 4.19Å; N83-L134 PolarHBondContact ND2-O 3.48Å; N83-L134 WeakPolarHBondContact O-CD2 3.34Å; N83-N137 PolarHBondContact ND2-O 2.86Å; N83-N137 PolarHBondContact OD1-O 3.21Å; N83-G140 CarbonylContact C-O 3.59Å; N83-G140 WeakPolarHBondContact CA-O 3.48Å; N83-G140 WeakPolarHBondContact OD1-CA 3.3Å; N83-G140 PolarHBondContact OD1-N 3.25Å; N83-V142 HydrophobicContact CB-CG2 3.6Å
84G91.5Very high70.6Confident0 Ų049.7 Ų49.70%027%0.268CS..EExtended strand (participates in β ladder)trans-79.5168.5169.900000112R82 G140 I141 V142 D388R82-G84 PolarHBondContact O-N 2.84Å; G84-G140 PolarHBondContact N-O 3.41Å; G84-I141 CarbonylContact O-C 3.55Å; G84-I141 WeakPolarHBondContact O-CA 3.47Å; G84-V142 PolarHBondContact O-N 3.46Å; G84-D388 CarbonylContact C-O 3.56Å; G84-D388 WeakPolarHBondContact CA-O 3.35Å
85L94.2Very high73.3Confident0 Ų048.1 Ų48.10%025%0.254CS..EExtended strand (participates in β ladder)trans-111.5130.3179.2-71.8160.6000110.6N87 N95 L98 Q99 I130 L134 V142 P144 D388 I389L85-N87 PolarHBondContact O-N 2.77Å; L85-N95 HydrophobicContact CB-CB 4Å; L85-N95 HydrophobicContact CD1-CB 4.13Å; L85-N95 WeakPolarHBondContact CD1-O 3.31Å; L85-N95 PolarHBondContact O-ND2 3.02Å; L85-L98 HydrophobicContact CD1-CB 3.63Å; L85-L98 HydrophobicContact CD1-CD1 4.06Å; L85-Q99 HydrophobicContact CD1-CG 3.95Å; L85-I130 HydrophobicContact CD2-CG2 4.02Å; L85-L134 HydrophobicContact CD2-CD2 4.39Å; L85-L134 HydrophobicContact CG-CD2 4.33Å; L85-V142 WeakPolarHBondContact CA-O 3.26Å; L85-V142 HydrophobicContact CD2-CB 3.65Å; L85-V142 HydrophobicContact CD2-CG1 3.57Å; L85-P144 HydrophobicContact CB-CG 4.5Å; L85-P144 HydrophobicContact CD2-CB 4.27Å; L85-P144 HydrophobicContact CD2-CG 4.33Å; L85-D388 PolarHBondContact N-O 2.7Å; L85-D388 CarbonylContact O-C 3.48Å; L85-D388 VanDerWaalsContact O-CA 3.27Å; L85-D388 WeakPolarHBondContact O-CA 3.22Å; L85-D388 WeakPolarHBondContact O-CB 3.45Å; L85-I389 PolarHBondContact O-N 2.77Å; L85-I389 VanDerWaalsContact O-N 3.12Å
86K92.8Very high76Confident83 Ų8343.4 Ų43.436%0.36123%0.232SC..  trans-61130.1175-175.8-178.9174.9-166.40110.5Y88 N95 I141 V142 D143 P144K86-Y88 HydrophobicContact CB-CE2 4.43Å; K86-Y88 HydrophobicContact CD-CE2 3.93Å; K86-Y88 HydrophobicContact CG-CE2 4.1Å; K86-Y88 PolarHBondContact NZ-OH 2.99Å; K86-N95 PolarHBondContact O-ND2 2.82Å; K86-I141 HydrophobicContact CB-CG2 4.41Å; K86-V142 PolarHBondContact N-O 3Å; K86-D143 IonicContact NZ-OD2 2.76Å; K86-D143 PolarHBondContact NZ-OD2 3.27Å; K86-D143 VanDerWaalsContact NZ-OD2 3.09Å; K86-P144 WeakPolarHBondContact O-CD 3.25Å; K86-P144 VanDerWaalsContact O-CG 3.27Å; K86-P144 WeakPolarHBondContact O-CG 3.18Å
87N91.2Very high79Confident48 Ų4837.1 Ų37.126%0.25721%0.205SC..  trans-93.9130.2175.6-172.9-12.5000110.2L85 G89 T91 D388L85-N87 PolarHBondContact O-N 2.77Å; N87-G89 VanDerWaalsContact C-N 3.35Å; N87-G89 PolarHBondContact ND2-O 3.37Å; N87-G89 VanDerWaalsContact OD1-C 3.27Å; N87-G89 PolarHBondContact OD1-N 3.42Å; N87-G89 PolarHBondContact OD1-O 3.34Å; N87-T91 PolarHBondContact OD1-N 2.9Å; N87-T91 PolarHBondContact OD1-OG1 3.5Å; N87-T91 VanDerWaalsContact OD1-OG1 3.09Å; N87-D388 HydrophobicContact CB-CB 3.99Å; N87-D388 WeakPolarHBondContact CB-OD2 3.48Å; N87-D388 PolarHBondContact ND2-OD2 3.3Å
88Y88.2Confident81.7Confident73 Ų7332.6 Ų32.629%0.28618%0.181SC..  trans-95.216.1179.4-80.5-93.4000113.4K86 T91 D143 I148 N155K86-Y88 HydrophobicContact CB-CE2 4.43Å; K86-Y88 HydrophobicContact CD-CE2 3.93Å; K86-Y88 HydrophobicContact CG-CE2 4.1Å; K86-Y88 PolarHBondContact NZ-OH 2.99Å; Y88-T91 PolarHBondContact N-OG1 2.74Å; Y88-D143 WeakPolarHBondContact CE2-OD1 3.24Å; Y88-D143 VanDerWaalsContact CZ-OD1 3.27Å; Y88-D143 PolarHBondContact OH-OD1 3.48Å; Y88-D143 PolarHBondContact OH-OD2 3.29Å; Y88-I148 HydrophobicContact CD2-CD1 3.52Å; Y88-I148 HydrophobicContact CE2-CD1 4.24Å; Y88-I148 HydrophobicContact CG-CD1 4.01Å; Y88-N155 WeakPolarHBondContact O-CB 3.35Å
89G85Confident84.3Confident51 Ų5130 Ų3053%0.52617%0.168SC..SBendtrans122.6-90.9-179.900000110.2N87N87-G89 VanDerWaalsContact C-N 3.35Å; N87-G89 PolarHBondContact ND2-O 3.37Å; N87-G89 VanDerWaalsContact OD1-C 3.27Å; N87-G89 PolarHBondContact OD1-N 3.42Å; N87-G89 PolarHBondContact OD1-O 3.34Å
90S87.2Confident87Confident25 Ų2525.6 Ų25.618%0.17514%0.141CC..SBendtrans-93.118.1-179.4-71.50000113.9Y93 N155 T156 E157S90-Y93 VanDerWaalsContact O-CD1 3.26Å; S90-Y93 WeakPolarHBondContact O-CD1 3.43Å; S90-Y93 WeakPolarHBondContact O-CE1 3.5Å; S90-N155 WeakPolarHBondContact CB-O 3.35Å; S90-N155 PolarHBondContact N-O 2.99Å; S90-T156 PolarHBondContact OG-O 2.92Å; S90-E157 WeakPolarHBondContact CB-O 3.44Å
91T91.8Very high89.4Confident0 Ų020.2 Ų20.20%012%0.116CC..  trans-97.113-171.366.30000114.7N87 Y88 Y93 L94 N95 I148N87-T91 PolarHBondContact OD1-N 2.9Å; N87-T91 PolarHBondContact OD1-OG1 3.5Å; N87-T91 VanDerWaalsContact OD1-OG1 3.09Å; Y88-T91 PolarHBondContact N-OG1 2.74Å; T91-Y93 VanDerWaalsContact C-N 3.29Å; T91-Y93 PolarHBondContact O-N 2.94Å; T91-L94 WeakPolarHBondContact O-CB 3.44Å; T91-L94 PolarHBondContact O-N 3.02Å; T91-L94 VanDerWaalsContact O-N 3.16Å; T91-N95 PolarHBondContact O-N 2.8Å; T91-N95 VanDerWaalsContact O-N 3.12Å; T91-I148 HydrophobicContact CG2-CD1 3.89Å; T91-I148 HydrophobicContact CG2-CG1 4.39Å
92C93.2Very high91.5Very high1 Ų117.1 Ų17.11%0.0079%0.093CC..Hα-helixtrans-63.8-29.4-179.157.10000114L94 N95 A96 H347C92-L94 VanDerWaalsContact C-N 3.34Å; C92-N95 PolarHBondContact O-N 3.12Å; C92-A96 WeakPolarHBondContact O-CB 3.16Å; C92-A96 PolarHBondContact O-N 2.66Å; C92-H347 WeakPolarHBondContact CB-CE1 3.36Å; C92-H347 PolarHBondContact SG-ND1 2.94Å; C92-H347 VanDerWaalsContact SG-ND1 3.4Å
93Y93.1Very high92.4Very high0 Ų016.2 Ų16.20%09%0.089CC..Hα-helixtrans-60.6-45173.369.1-89.1000110.9S90 T91 A96 F97 Q159 F164S90-Y93 VanDerWaalsContact O-CD1 3.26Å; S90-Y93 WeakPolarHBondContact O-CD1 3.43Å; S90-Y93 WeakPolarHBondContact O-CE1 3.5Å; T91-Y93 VanDerWaalsContact C-N 3.29Å; T91-Y93 PolarHBondContact O-N 2.94Å; Y93-A96 PolarHBondContact O-N 3.46Å; Y93-F97 WeakPolarHBondContact O-CD2 3.25Å; Y93-F97 PolarHBondContact O-N 2.87Å; Y93-F97 VanDerWaalsContact O-N 3.07Å; Y93-Q159 HydrophobicContact CD2-CB 4.24Å; Y93-Q159 HydrophobicContact CE1-CB 4.13Å; Y93-Q159 HydrophobicContact CE1-CG 4.04Å; Y93-Q159 HydrophobicContact CE2-CB 3.8Å; Y93-Q159 HydrophobicContact CE2-CG 3.9Å; Y93-Q159 VanDerWaalsContact CZ-CG 3.47Å; Y93-Q159 VanDerWaalsContact OH-CG 3.24Å; Y93-Q159 WeakPolarHBondContact OH-CG 3.22Å; Y93-F164 HydrophobicContact CD2-CB 4.41Å; Y93-F164 HydrophobicContact CD2-CD1 4.01Å; Y93-F164 HydrophobicContact CD2-CD2 4.31Å; Y93-F164 HydrophobicContact CD2-CE1 4.44Å; Y93-F164 AromaticContact CD2-CG 3.96Å; Y93-F164 HydrophobicContact CD2-CG 3.96Å; Y93-F164 HydrophobicContact CE2-CB 4.42Å; Y93-F164 HydrophobicContact CE2-CD1 4.11Å; Y93-F164 AromaticContact CE2-CD2 3.64Å; Y93-F164 HydrophobicContact CE2-CD2 3.64Å; Y93-F164 HydrophobicContact CE2-CE1 4.36Å; Y93-F164 AromaticContact CE2-CE2 3.91Å; Y93-F164 HydrophobicContact CE2-CE2 3.91Å; Y93-F164 AromaticContact CE2-CG 3.77Å; Y93-F164 HydrophobicContact CE2-CG 3.77Å; Y93-F164 HydrophobicContact CE2-CZ 4.29Å
94L95.2Very high92.6Very high0 Ų016.1 Ų16.10%09%0.089CC..Hα-helixtrans-63.3-47.9176.9172.867.7000110.4T91 C92 A96 F97 L98 L147 I148 L153 F164T91-L94 WeakPolarHBondContact O-CB 3.44Å; T91-L94 PolarHBondContact O-N 3.02Å; T91-L94 VanDerWaalsContact O-N 3.16Å; C92-L94 VanDerWaalsContact C-N 3.34Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 2.9Å; L94-F97 CarbonylContact O-C 3.55Å; L94-F97 PolarHBondContact O-N 3.35Å; L94-F97 VanDerWaalsContact O-N 3.16Å; L94-L98 HydrophobicContact CD1-CD1 4.06Å; L94-L98 HydrophobicContact CD1-CD2 4.41Å; L94-L98 HydrophobicContact CD1-CG 3.98Å; L94-L98 HydrophobicContact CD2-CD1 4.39Å; L94-L98 HydrophobicContact CG-CD1 3.83Å; L94-L98 HydrophobicContact CG-CG 4.18Å; L94-L98 WeakPolarHBondContact O-CG 3.11Å; L94-L98 PolarHBondContact O-N 2.83Å; L94-L147 HydrophobicContact CD1-CD2 4.27Å; L94-I148 HydrophobicContact CD2-CD1 4.31Å; L94-I148 HydrophobicContact CD2-CG1 3.59Å; L94-L153 HydrophobicContact CD2-CD1 3.92Å; L94-F164 HydrophobicContact CD1-CE1 4.04Å; L94-F164 HydrophobicContact CD1-CE2 4.49Å; L94-F164 HydrophobicContact CD1-CZ 3.55Å
95N95.6Very high92.4Very high3 Ų318 Ų182%0.01610%0.097CC..Hα-helixtrans-58.2-45.2-180-72.2-9.4000112L85 K86 T91 C92 F97 L98 Q99 D388L85-N95 HydrophobicContact CB-CB 4Å; L85-N95 HydrophobicContact CD1-CB 4.13Å; L85-N95 WeakPolarHBondContact CD1-O 3.31Å; L85-N95 PolarHBondContact O-ND2 3.02Å; K86-N95 PolarHBondContact O-ND2 2.82Å; T91-N95 PolarHBondContact O-N 2.8Å; T91-N95 VanDerWaalsContact O-N 3.12Å; C92-N95 PolarHBondContact O-N 3.12Å; N95-F97 VanDerWaalsContact C-N 3.34Å; N95-F97 PolarHBondContact O-N 2.9Å; N95-L98 PolarHBondContact O-N 2.85Å; N95-Q99 WeakPolarHBondContact O-CG 3.49Å; N95-Q99 PolarHBondContact O-N 3.46Å; N95-Q99 VanDerWaalsContact O-N 3.08Å; N95-D388 PolarHBondContact ND2-OD1 2.78Å
96A95.4Very high92.2Very high3 Ų319.8 Ų19.83%0.02511%0.105CC..Hα-helixtrans-63.2-41177.700000111.7C92 Y93 L94 Q99 L100 L336 A350C92-A96 WeakPolarHBondContact O-CB 3.16Å; C92-A96 PolarHBondContact O-N 2.66Å; Y93-A96 PolarHBondContact O-N 3.46Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 2.9Å; A96-Q99 PolarHBondContact O-N 3.42Å; A96-L100 PolarHBondContact O-N 2.87Å; A96-L100 VanDerWaalsContact O-N 3.1Å; A96-L336 HydrophobicContact CB-CD1 3.34Å; A96-A350 HydrophobicContact CB-CB 4.05Å; A96-A350 WeakPolarHBondContact O-CB 3.28Å
97F96.5Very high92.2Very high0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-66.6-41.4174-82.6-54.6000113.6Y93 L94 N95 Q99 L100 Y101 A161 F164 H165 L336 M486 F488Y93-F97 WeakPolarHBondContact O-CD2 3.25Å; Y93-F97 PolarHBondContact O-N 2.87Å; Y93-F97 VanDerWaalsContact O-N 3.07Å; L94-F97 CarbonylContact O-C 3.55Å; L94-F97 PolarHBondContact O-N 3.35Å; L94-F97 VanDerWaalsContact O-N 3.16Å; N95-F97 VanDerWaalsContact C-N 3.34Å; N95-F97 PolarHBondContact O-N 2.9Å; F97-Q99 VanDerWaalsContact C-N 3.28Å; F97-Q99 PolarHBondContact O-N 2.95Å; F97-L100 HydrophobicContact CD1-CD1 4.1Å; F97-L100 CarbonylContact O-C 3.52Å; F97-L100 WeakPolarHBondContact O-CA 3.5Å; F97-L100 WeakPolarHBondContact O-CB 3.34Å; F97-L100 PolarHBondContact O-N 3.26Å; F97-L100 VanDerWaalsContact O-N 3.11Å; F97-Y101 HydrophobicContact CB-CD2 4.21Å; F97-Y101 HydrophobicContact CB-CE1 4.21Å; F97-Y101 HydrophobicContact CB-CE2 3.59Å; F97-Y101 AromaticContact CD1-CE1 3.72Å; F97-Y101 HydrophobicContact CD1-CE1 3.72Å; F97-Y101 HydrophobicContact CD1-CE2 4.43Å; F97-Y101 AromaticContact CD1-CZ 3.55Å; F97-Y101 VanDerWaalsContact CD1-OH 3.23Å; F97-Y101 WeakPolarHBondContact CD1-OH 3.21Å; F97-Y101 HydrophobicContact CG-CE1 4.31Å; F97-Y101 HydrophobicContact CG-CE2 4.22Å; F97-Y101 AromaticContact CG-CZ 3.74Å; F97-Y101 WeakPolarHBondContact CG-OH 3.14Å; F97-Y101 WeakPolarHBondContact O-CB 3.5Å; F97-Y101 WeakPolarHBondContact O-CD1 3.23Å; F97-Y101 VanDerWaalsContact O-CD2 3.27Å; F97-Y101 WeakPolarHBondContact O-CD2 3.32Å; F97-Y101 PolarHBondContact O-N 3.1Å; F97-A161 HydrophobicContact CE2-CB 3.63Å; F97-A161 WeakPolarHBondContact CE2-O 3.4Å; F97-A161 HydrophobicContact CZ-CB 3.85Å; F97-A161 WeakPolarHBondContact CZ-O 3.43Å; F97-F164 HydrophobicContact CB-CE1 4.49Å; F97-F164 AromaticContact CD2-CD1 3.6Å; F97-F164 HydrophobicContact CD2-CD1 3.6Å; F97-F164 AromaticContact CD2-CE1 3.93Å; F97-F164 HydrophobicContact CD2-CE1 3.93Å; F97-F164 AromaticContact CE2-CD1 3.86Å; F97-F164 HydrophobicContact CE2-CD1 3.86Å; F97-F164 HydrophobicContact CG-CD1 4.48Å; F97-F164 HydrophobicContact CG-CE1 4.5Å; F97-H165 HydrophobicContact CE1-CB 3.82Å; F97-H165 HydrophobicContact CE2-CB 4.33Å; F97-H165 HydrophobicContact CZ-CB 3.67Å; F97-L336 HydrophobicContact CE1-CD2 3.98Å; F97-L336 HydrophobicContact CE2-CD2 4.25Å; F97-L336 HydrophobicContact CZ-CD2 3.69Å; F97-M486 HydrophobicContact CE1-CE 4.34Å; F97-M486 HydrophobicContact CE1-SD 3.79Å; F97-M486 HydrophobicContact CZ-CE 4.49Å; F97-M486 HydrophobicContact CZ-SD 3.55Å; F97-M486 VanDerWaalsContact CZ-SD 3.55Å; F97-F488 HydrophobicContact CE1-CZ 4.22Å
98L97.1Very high92.3Very high0 Ų014.7 Ų14.70%08%0.08CC..Hα-helixtrans-60.4-39.8177-72.7172.4000111.5L85 L94 N95 F102 L127 I130 F131 P144 L147L85-L98 HydrophobicContact CD1-CB 3.63Å; L85-L98 HydrophobicContact CD1-CD1 4.06Å; L94-L98 HydrophobicContact CD1-CD1 4.06Å; L94-L98 HydrophobicContact CD1-CD2 4.41Å; L94-L98 HydrophobicContact CD1-CG 3.98Å; L94-L98 HydrophobicContact CD2-CD1 4.39Å; L94-L98 HydrophobicContact CG-CD1 3.83Å; L94-L98 HydrophobicContact CG-CG 4.18Å; L94-L98 WeakPolarHBondContact O-CG 3.11Å; L94-L98 PolarHBondContact O-N 2.83Å; N95-L98 PolarHBondContact O-N 2.85Å; L98-F102 WeakPolarHBondContact O-CB 3.48Å; L98-F102 PolarHBondContact O-N 2.9Å; L98-L127 HydrophobicContact CD2-CD2 3.72Å; L98-I130 HydrophobicContact CD1-CD1 4.29Å; L98-I130 HydrophobicContact CD1-CG2 4.4Å; L98-F131 HydrophobicContact CD2-CE1 4.37Å; L98-P144 HydrophobicContact CD1-CB 4.02Å; L98-L147 HydrophobicContact CD1-CD2 4.15Å; L98-L147 HydrophobicContact CD2-CD2 3.73Å; L98-L147 HydrophobicContact CG-CD2 4.47Å
99Q95Very high92.5Very high4 Ų415.9 Ų15.92%0.0199%0.087CC..Hα-helixtrans-63.1-43.2173.5-67.6-75.23.700111.6N83 L85 N95 A96 F97 R103 A350 L352 C386N83-Q99 PolarHBondContact O-NE2 3.14Å; L85-Q99 HydrophobicContact CD1-CG 3.95Å; N95-Q99 WeakPolarHBondContact O-CG 3.49Å; N95-Q99 PolarHBondContact O-N 3.46Å; N95-Q99 VanDerWaalsContact O-N 3.08Å; A96-Q99 PolarHBondContact O-N 3.42Å; F97-Q99 VanDerWaalsContact C-N 3.28Å; F97-Q99 PolarHBondContact O-N 2.95Å; Q99-R103 PolarHBondContact O-N 3.02Å; Q99-A350 HydrophobicContact CB-CB 4.17Å; Q99-L352 HydrophobicContact CB-CD1 3.92Å; Q99-L352 VanDerWaalsContact O-CD1 3.28Å; Q99-L352 WeakPolarHBondContact O-CD1 3.15Å; Q99-C386 HydrophobicContact CB-CB 4.08Å; Q99-C386 HydrophobicContact CG-CB 3.72Å
100L94.4Very high92.8Very high0 Ų013.8 Ų13.80%06%0.064CC..Hα-helixtrans-61.5-53.1174.3-80.5158.8000112A96 F97 F102 R103 F104 L336 A350 L352 F488A96-L100 PolarHBondContact O-N 2.87Å; A96-L100 VanDerWaalsContact O-N 3.1Å; F97-L100 HydrophobicContact CD1-CD1 4.1Å; F97-L100 CarbonylContact O-C 3.52Å; F97-L100 WeakPolarHBondContact O-CA 3.5Å; F97-L100 WeakPolarHBondContact O-CB 3.34Å; F97-L100 PolarHBondContact O-N 3.26Å; F97-L100 VanDerWaalsContact O-N 3.11Å; L100-F102 VanDerWaalsContact C-N 3.32Å; L100-F102 PolarHBondContact O-N 3.39Å; L100-R103 WeakPolarHBondContact O-CA 3.15Å; L100-R103 VanDerWaalsContact O-CB 3.29Å; L100-R103 WeakPolarHBondContact O-CB 3.42Å; L100-R103 PolarHBondContact O-N 3.15Å; L100-F104 HydrophobicContact CB-CZ 4.43Å; L100-F104 HydrophobicContact CD2-CZ 4.45Å; L100-F104 PolarHBondContact O-N 3.5Å; L100-L336 HydrophobicContact CD1-CB 4.21Å; L100-L336 HydrophobicContact CD1-CD1 4.12Å; L100-A350 HydrophobicContact CD1-CB 4.41Å; L100-A350 HydrophobicContact CG-CB 4.13Å; L100-L352 HydrophobicContact CB-CD2 4.42Å; L100-L352 HydrophobicContact CD2-CD2 3.24Å; L100-L352 HydrophobicContact CG-CD2 3.73Å; L100-F488 HydrophobicContact CD1-CD2 4.15Å; L100-F488 HydrophobicContact CD1-CE2 3.51Å; L100-F488 HydrophobicContact CD1-CZ 3.93Å; L100-F488 HydrophobicContact CD2-CD2 3.57Å; L100-F488 HydrophobicContact CD2-CE2 3.83Å; L100-F488 HydrophobicContact CD2-CG 4.08Å; L100-F488 HydrophobicContact CG-CE2 4.32Å
101Y95.3Very high93.1Very high1 Ų112.6 Ų12.60%0.0046%0.056CC..Hα-helixtrans-63.9-38.9-177.2-58.4-21000112F97 R103 F104 L107 H165 F168 M169F97-Y101 HydrophobicContact CB-CD2 4.21Å; F97-Y101 HydrophobicContact CB-CE1 4.21Å; F97-Y101 HydrophobicContact CB-CE2 3.59Å; F97-Y101 AromaticContact CD1-CE1 3.72Å; F97-Y101 HydrophobicContact CD1-CE1 3.72Å; F97-Y101 HydrophobicContact CD1-CE2 4.43Å; F97-Y101 AromaticContact CD1-CZ 3.55Å; F97-Y101 VanDerWaalsContact CD1-OH 3.23Å; F97-Y101 WeakPolarHBondContact CD1-OH 3.21Å; F97-Y101 HydrophobicContact CG-CE1 4.31Å; F97-Y101 HydrophobicContact CG-CE2 4.22Å; F97-Y101 AromaticContact CG-CZ 3.74Å; F97-Y101 WeakPolarHBondContact CG-OH 3.14Å; F97-Y101 WeakPolarHBondContact O-CB 3.5Å; F97-Y101 WeakPolarHBondContact O-CD1 3.23Å; F97-Y101 VanDerWaalsContact O-CD2 3.27Å; F97-Y101 WeakPolarHBondContact O-CD2 3.32Å; F97-Y101 PolarHBondContact O-N 3.1Å; Y101-R103 PolarHBondContact O-N 2.87Å; Y101-F104 HydrophobicContact CD1-CD2 4.33Å; Y101-F104 HydrophobicContact CD1-CE2 4.03Å; Y101-F104 PolarHBondContact O-N 3.13Å; Y101-L107 HydrophobicContact CG-CD2 4.28Å; Y101-H165 AromaticContact CE1-CE1 3.94Å; Y101-H165 AromaticContact CE1-ND1 3.56Å; Y101-H165 AromaticContact CZ-ND1 3.63Å; Y101-H165 PolarHBondContact OH-ND1 3.45Å; Y101-F168 HydrophobicContact CD2-CD1 4.05Å; Y101-F168 AromaticContact CD2-CE1 3.66Å; Y101-F168 HydrophobicContact CD2-CE1 3.66Å; Y101-F168 AromaticContact CE2-CD1 3.36Å; Y101-F168 HydrophobicContact CE2-CD1 3.36Å; Y101-F168 AromaticContact CE2-CE1 3.44Å; Y101-F168 HydrophobicContact CE2-CE1 3.44Å; Y101-F168 VanDerWaalsContact CE2-CE1 3.44Å; Y101-F168 HydrophobicContact CE2-CG 4.48Å; Y101-M169 HydrophobicContact CD1-CE 3.39Å; Y101-M169 HydrophobicContact CD2-CE 4.1Å; Y101-M169 HydrophobicContact CE1-CE 3.07Å; Y101-M169 HydrophobicContact CE2-CE 3.8Å; Y101-M169 HydrophobicContact CG-CE 3.9Å
102F93.3Very high93.3Very high10 Ų1013.2 Ų13.24%0.0446%0.058CC..Hα-helixtrans-56.9-38.3172.2174.2-109.7000110.6L98 L100 F104 R108 F131 L134 Q135L98-F102 WeakPolarHBondContact O-CB 3.48Å; L98-F102 PolarHBondContact O-N 2.9Å; L100-F102 VanDerWaalsContact C-N 3.32Å; L100-F102 PolarHBondContact O-N 3.39Å; F102-F104 VanDerWaalsContact C-N 3.31Å; F102-F104 PolarHBondContact O-N 3.27Å; F102-R108 HydrophobicContact CD2-CG 4.39Å; F102-R108 VanDerWaalsContact CE2-NE 3.32Å; F102-R108 VanDerWaalsContact CZ-CZ 3.43Å; F102-R108 PolarHBondContact O-NE 3.29Å; F102-R108 PolarHBondContact O-NH2 3.05Å; F102-F131 HydrophobicContact CB-CD1 4.09Å; F102-F131 HydrophobicContact CB-CE1 3.87Å; F102-F131 HydrophobicContact CB-CZ 4.15Å; F102-F131 HydrophobicContact CD2-CB 3.99Å; F102-F131 HydrophobicContact CD2-CD1 4.04Å; F102-F131 HydrophobicContact CD2-CD2 4.33Å; F102-F131 AromaticContact CD2-CG 3.88Å; F102-F131 HydrophobicContact CD2-CG 3.88Å; F102-F131 HydrophobicContact CE2-CB 4.39Å; F102-F131 VanDerWaalsContact CE2-O 3.3Å; F102-F131 WeakPolarHBondContact CE2-O 3.33Å; F102-L134 HydrophobicContact CB-CD1 3.88Å; F102-L134 HydrophobicContact CD1-CB 4.21Å; F102-L134 HydrophobicContact CD1-CD1 4.29Å; F102-L134 HydrophobicContact CD2-CB 4Å; F102-L134 HydrophobicContact CD2-CD1 4.15Å; F102-L134 HydrophobicContact CE1-CB 4.07Å; F102-L134 HydrophobicContact CE2-CB 3.85Å; F102-L134 HydrophobicContact CG-CB 4.18Å; F102-L134 HydrophobicContact CG-CD1 3.85Å; F102-L134 HydrophobicContact CZ-CB 3.88Å; F102-Q135 HydrophobicContact CE2-CB 3.99Å; F102-Q135 HydrophobicContact CZ-CB 3.88Å
103R88.5Confident93.2Very high32 Ų3218.4 Ų18.412%0.1219%0.086CC..Hα-helixtrans-66.2-29.2-179.6-175.957.2-173-176.4-3.3113.5Q99 L100 Y101 K105 L352 R353 D354 S355Q99-R103 PolarHBondContact O-N 3.02Å; L100-R103 WeakPolarHBondContact O-CA 3.15Å; L100-R103 VanDerWaalsContact O-CB 3.29Å; L100-R103 WeakPolarHBondContact O-CB 3.42Å; L100-R103 PolarHBondContact O-N 3.15Å; Y101-R103 PolarHBondContact O-N 2.87Å; R103-K105 PolarHBondContact O-N 3.23Å; R103-K105 VanDerWaalsContact O-N 3.16Å; R103-L352 HydrophobicContact CB-CD1 4.47Å; R103-R353 PolarHBondContact NE-O 2.98Å; R103-R353 PolarHBondContact NH2-O 3.1Å; R103-D354 IonicContact CZ-OD1 3.63Å; R103-D354 IonicContact NH1-OD1 3.56Å; R103-D354 PolarHBondContact NH1-OD1 3.48Å; R103-D354 IonicContact NH2-OD1 3.57Å; R103-S355 PolarHBondContact NH2-OG 3.49Å
104F89.5Confident93Very high5 Ų518.8 Ų18.82%0.0229%0.088CC..  trans-74.2103.3178.3-51.3-35000110.2L100 Y101 F102 E106 L107 R108 L187 L265 F488L100-F104 HydrophobicContact CB-CZ 4.43Å; L100-F104 HydrophobicContact CD2-CZ 4.45Å; L100-F104 PolarHBondContact O-N 3.5Å; Y101-F104 HydrophobicContact CD1-CD2 4.33Å; Y101-F104 HydrophobicContact CD1-CE2 4.03Å; Y101-F104 PolarHBondContact O-N 3.13Å; F102-F104 VanDerWaalsContact C-N 3.31Å; F102-F104 PolarHBondContact O-N 3.27Å; F104-E106 PolarHBondContact O-N 3.08Å; F104-L107 HydrophobicContact CB-CB 4.01Å; F104-L107 HydrophobicContact CD2-CD2 4.38Å; F104-L107 PolarHBondContact O-N 3.11Å; F104-R108 PolarHBondContact O-N 3.46Å; F104-L187 HydrophobicContact CB-CD2 4.44Å; F104-L265 HydrophobicContact CD1-CD1 3.82Å; F104-L265 HydrophobicContact CD1-CD2 3.88Å; F104-L265 HydrophobicContact CD2-CD2 3.54Å; F104-L265 HydrophobicContact CE1-CD1 3.45Å; F104-L265 VanDerWaalsContact CE1-CD1 3.45Å; F104-L265 HydrophobicContact CE1-CD2 3.7Å; F104-L265 HydrophobicContact CE1-CG 4.23Å; F104-L265 HydrophobicContact CE2-CD2 3.33Å; F104-L265 HydrophobicContact CG-CD2 3.84Å; F104-L265 HydrophobicContact CZ-CD1 3.9Å; F104-L265 HydrophobicContact CZ-CD2 3.44Å; F104-L265 VanDerWaalsContact CZ-CD2 3.44Å; F104-L265 HydrophobicContact CZ-CG 4.27Å; F104-F488 HydrophobicContact CE2-CD1 4.42Å; F104-F488 HydrophobicContact CZ-CB 4.34Å; F104-F488 AromaticContact CZ-CD1 3.8Å; F104-F488 HydrophobicContact CZ-CD1 3.8Å; F104-F488 HydrophobicContact CZ-CE1 4.42Å; F104-F488 HydrophobicContact CZ-CG 4.18Å
105K88.8Confident92.6Very high39 Ų3922.1 Ų22.117%0.1711%0.11CC..Hα-helixtrans-62.7-40.1-169.1-67.3-174.5-176.2-174.90112.5R103 R108 K109 L497 I501R103-K105 PolarHBondContact O-N 3.23Å; R103-K105 VanDerWaalsContact O-N 3.16Å; K105-R108 PolarHBondContact O-N 2.74Å; K105-K109 WeakPolarHBondContact O-CB 3.49Å; K105-K109 PolarHBondContact O-N 2.86Å; K105-L497 HydrophobicContact CD-CB 4.35Å; K105-L497 PolarHBondContact NZ-O 3.47Å; K105-I501 HydrophobicContact CB-CG1 4.15Å
106E89.2Confident91.9Very high38 Ų3823.8 Ų23.818%0.17812%0.122CC..Hα-helixtrans-64.1-41.4178.5-62.991.8147.100111.3F104 A110 L187 N494 L497F104-E106 PolarHBondContact O-N 3.08Å; E106-A110 WeakPolarHBondContact O-CB 3.49Å; E106-A110 PolarHBondContact O-N 3.48Å; E106-L187 HydrophobicContact CB-CD1 4.15Å; E106-L187 HydrophobicContact CB-CD2 4.13Å; E106-L187 HydrophobicContact CG-CD1 4.33Å; E106-N494 PolarHBondContact OE1-ND2 3.28Å; E106-L497 HydrophobicContact CG-CD1 3.48Å; E106-L497 VanDerWaalsContact CG-CD1 3.48Å; E106-L497 WeakPolarHBondContact OE1-CD1 3.33Å
107L92.5Very high91.1Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-66.3-43.6174.8-179.359000111.1Y101 F104 A110 I111 M169 L172 F176 I184 L187Y101-L107 HydrophobicContact CG-CD2 4.28Å; F104-L107 HydrophobicContact CB-CB 4.01Å; F104-L107 HydrophobicContact CD2-CD2 4.38Å; F104-L107 PolarHBondContact O-N 3.11Å; L107-A110 PolarHBondContact O-N 2.95Å; L107-I111 HydrophobicContact CD1-CD1 4.07Å; L107-I111 HydrophobicContact CD1-CG1 4.46Å; L107-I111 HydrophobicContact CG-CD1 4Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 2.87Å; L107-M169 HydrophobicContact CD2-CE 4.24Å; L107-L172 HydrophobicContact CD1-CD1 4.31Å; L107-F176 HydrophobicContact CD1-CE2 3.81Å; L107-F176 HydrophobicContact CD1-CZ 3.85Å; L107-I184 HydrophobicContact CD1-CD1 3.83Å; L107-L187 HydrophobicContact CB-CD2 4Å
108R92.6Very high90.2Very high23 Ų2334.1 Ų34.19%0.08718%0.178CC..Hα-helixtrans-60.8-46.6176.5-168-165.3-53.7177.74.1111.7F102 F104 K105 I111 Y112 F131F102-R108 HydrophobicContact CD2-CG 4.39Å; F102-R108 VanDerWaalsContact CE2-NE 3.32Å; F102-R108 VanDerWaalsContact CZ-CZ 3.43Å; F102-R108 PolarHBondContact O-NE 3.29Å; F102-R108 PolarHBondContact O-NH2 3.05Å; F104-R108 PolarHBondContact O-N 3.46Å; K105-R108 PolarHBondContact O-N 2.74Å; R108-I111 PolarHBondContact O-N 3.37Å; R108-Y112 HydrophobicContact CG-CD2 4.35Å; R108-Y112 HydrophobicContact CG-CE2 3.81Å; R108-Y112 PolarHBondContact O-N 2.98Å; R108-F131 HydrophobicContact CB-CD2 4.21Å; R108-F131 HydrophobicContact CB-CE2 4.39Å; R108-F131 HydrophobicContact CG-CB 4.48Å; R108-F131 HydrophobicContact CG-CD2 3.74Å; R108-F131 HydrophobicContact CG-CE2 4.38Å; R108-F131 HydrophobicContact CG-CG 4.48Å
109K92.4Very high89.4Confident98 Ų9834.6 Ų34.643%0.42618%0.181SC..Hα-helixtrans-58.9-49.4176.4-176.6177.7178.7173.90110.7K105 I111 Y112 D113 I501K105-K109 WeakPolarHBondContact O-CB 3.49Å; K105-K109 PolarHBondContact O-N 2.86Å; K109-I111 VanDerWaalsContact C-N 3.3Å; K109-I111 PolarHBondContact O-N 3.49Å; K109-Y112 PolarHBondContact O-N 3.08Å; K109-Y112 VanDerWaalsContact O-N 3.09Å; K109-D113 WeakPolarHBondContact CG-OD2 3.42Å; K109-D113 WeakPolarHBondContact O-CB 3.47Å; K109-D113 VanDerWaalsContact O-CG 3.27Å; K109-D113 PolarHBondContact O-N 2.98Å; K109-I501 HydrophobicContact CB-CD1 3.9Å; K109-I501 HydrophobicContact CB-CG1 4.34Å; K109-I501 HydrophobicContact CB-CG2 4.11Å; K109-I501 HydrophobicContact CD-CD1 4.04Å; K109-I501 HydrophobicContact CG-CD1 4.25Å
110A92.2Very high88.8Confident7 Ų743.9 Ų43.96%0.05822%0.224CC..Hα-helixtrans-56.5-43.7176.600000112.5E106 L107 Y112 D113 I114 F176 V183E106-A110 WeakPolarHBondContact O-CB 3.49Å; E106-A110 PolarHBondContact O-N 3.48Å; L107-A110 PolarHBondContact O-N 2.95Å; A110-Y112 VanDerWaalsContact C-N 3.34Å; A110-Y112 PolarHBondContact O-N 3.04Å; A110-D113 PolarHBondContact O-N 3.42Å; A110-I114 VanDerWaalsContact O-CD1 3.23Å; A110-I114 WeakPolarHBondContact O-CD1 3.49Å; A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 3.29Å; A110-F176 HydrophobicContact CB-CE2 4.4Å; A110-F176 HydrophobicContact CB-CZ 4.3Å; A110-V183 HydrophobicContact CB-CB 4Å; A110-V183 HydrophobicContact CB-CG1 3.89Å; A110-V183 HydrophobicContact CB-CG2 3.45Å; A110-V183 VanDerWaalsContact CB-CG2 3.45Å
111I94.4Very high88.4Confident1 Ų145.7 Ų45.71%0.00524%0.235CC..Hα-helixtrans-63.3-39.3177.2-73.7164.9000111.5L107 R108 K109 L127 Q128 F131 F176L107-I111 HydrophobicContact CD1-CD1 4.07Å; L107-I111 HydrophobicContact CD1-CG1 4.46Å; L107-I111 HydrophobicContact CG-CD1 4Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 2.87Å; R108-I111 PolarHBondContact O-N 3.37Å; K109-I111 VanDerWaalsContact C-N 3.3Å; K109-I111 PolarHBondContact O-N 3.49Å; I111-L127 HydrophobicContact CD1-CB 4.47Å; I111-L127 HydrophobicContact CD1-CD1 4.34Å; I111-L127 HydrophobicContact CG2-CB 3.93Å; I111-Q128 HydrophobicContact CG2-CG 3.74Å; I111-Q128 VanDerWaalsContact O-CG 3.28Å; I111-Q128 WeakPolarHBondContact O-CG 3.48Å; I111-Q128 PolarHBondContact O-NE2 2.93Å; I111-F131 HydrophobicContact CB-CD2 4.48Å; I111-F131 HydrophobicContact CD1-CD2 4Å; I111-F131 HydrophobicContact CD1-CE2 3.41Å; I111-F131 VanDerWaalsContact CD1-CE2 3.41Å; I111-F131 HydrophobicContact CD1-CZ 4.06Å; I111-F131 HydrophobicContact CG2-CD2 4.28Å; I111-F176 HydrophobicContact CG1-CE1 4.34Å; I111-F176 HydrophobicContact CG1-CZ 4.01Å
112Y94.4Very high88.1Confident12 Ų1246.7 Ų46.75%0.04725%0.245CC..Hα-helixtrans-71.4-33.1175.7-68.8-23.7000113.8R108 K109 A110 I114 Q128 F131 S132 Q135 I501 V503 P504 L507R108-Y112 HydrophobicContact CG-CD2 4.35Å; R108-Y112 HydrophobicContact CG-CE2 3.81Å; R108-Y112 PolarHBondContact O-N 2.98Å; K109-Y112 PolarHBondContact O-N 3.08Å; K109-Y112 VanDerWaalsContact O-N 3.09Å; A110-Y112 VanDerWaalsContact C-N 3.34Å; A110-Y112 PolarHBondContact O-N 3.04Å; Y112-I114 VanDerWaalsContact C-N 3.31Å; Y112-I114 PolarHBondContact O-N 2.97Å; Y112-Q128 HydrophobicContact CD1-CG 4.49Å; Y112-F131 HydrophobicContact CE1-CB 3.87Å; Y112-F131 PolarHBondContact OH-O 2.91Å; Y112-F131 VanDerWaalsContact OH-O 3.14Å; Y112-S132 WeakPolarHBondContact OH-CA 3.03Å; Y112-S132 PolarHBondContact OH-N 3.41Å; Y112-Q135 PolarHBondContact OH-OE1 3.1Å; Y112-I501 HydrophobicContact CD2-CG2 3.65Å; Y112-I501 HydrophobicContact CE2-CG2 3.91Å; Y112-V503 HydrophobicContact CE2-CG2 4.08Å; Y112-P504 HydrophobicContact CG-CG 4.32Å; Y112-L507 HydrophobicContact CD1-CD1 4.14Å; Y112-L507 HydrophobicContact CE1-CD1 4.48Å
113D91.3Very high88.1Confident111 Ų11146.2 Ų46.259%0.59424%0.243SC*.Hα-helixtrans-76.4-17.3-176.8-70.8-15.1000112.9K109 A110K109-D113 WeakPolarHBondContact CG-OD2 3.42Å; K109-D113 WeakPolarHBondContact O-CB 3.47Å; K109-D113 VanDerWaalsContact O-CG 3.27Å; K109-D113 PolarHBondContact O-N 2.98Å; A110-D113 PolarHBondContact O-N 3.42Å
114I90.4Very high88.4Confident8 Ų844.7 Ų44.74%0.04124%0.238CC..SBendtrans-78.8126.3179.5-66.9158.9000110.6A110 Y112 S116 I124 Q128 F176 V179A110-I114 VanDerWaalsContact O-CD1 3.23Å; A110-I114 WeakPolarHBondContact O-CD1 3.49Å; A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 3.29Å; Y112-I114 VanDerWaalsContact C-N 3.31Å; Y112-I114 PolarHBondContact O-N 2.97Å; I114-S116 PolarHBondContact O-N 3.38Å; I114-I124 HydrophobicContact CB-CG2 4.08Å; I114-I124 HydrophobicContact CG2-CG2 3.86Å; I114-Q128 PolarHBondContact O-NE2 2.82Å; I114-F176 HydrophobicContact CD1-CD1 3.06Å; I114-F176 HydrophobicContact CD1-CE1 3.07Å; I114-F176 HydrophobicContact CD1-CG 4.15Å; I114-F176 HydrophobicContact CD1-CZ 4.18Å; I114-F176 HydrophobicContact CG1-CD1 4.41Å; I114-V179 HydrophobicContact CG1-CG2 4.09Å
115P86.2Confident88.6Confident70 Ų7047.9 Ų47.946%0.45525%0.252SS..  trans-59.7124.9173.7-21.732.7000110.8Q117 A118P115-Q117 PolarHBondContact O-N 3.4Å; P115-Q117 VanDerWaalsContact O-N 3.08Å; P115-A118 HydrophobicContact CB-CB 4.46Å; P115-A118 VanDerWaalsContact O-CB 3.25Å; P115-A118 WeakPolarHBondContact O-CB 3.39Å; P115-A118 PolarHBondContact O-N 2.91Å
116S80.2Confident88.9Confident37 Ų3748.3 Ų48.326%0.25926%0.255SS..G310 helixtrans-58.1-28.3-176.9-42.70000112.9I114 A118 Q128I114-S116 PolarHBondContact O-N 3.38Å; S116-A118 PolarHBondContact O-N 3.48Å; S116-Q128 PolarHBondContact OG-OE1 2.91Å
117Q78.8Confident89.2Confident170 Ų17046.6 Ų46.679%0.79425%0.247SC*.G310 helixtrans-74.6-11178.5-49.990.15.200113.6P115 D119P115-Q117 PolarHBondContact O-N 3.4Å; P115-Q117 VanDerWaalsContact O-N 3.08Å; Q117-D119 PolarHBondContact O-N 3.42Å
118A77.4Confident89.4Confident51 Ų5146.8 Ų46.842%0.42125%0.248SC..G310 helixtrans-76.1-13178.600000113P115 S116 V179P115-A118 HydrophobicContact CB-CB 4.46Å; P115-A118 VanDerWaalsContact O-CB 3.25Å; P115-A118 WeakPolarHBondContact O-CB 3.39Å; P115-A118 PolarHBondContact O-N 2.91Å; S116-A118 PolarHBondContact O-N 3.48Å; A118-V179 HydrophobicContact CB-CG1 3.74Å
119D81.3Confident89.4Confident9 Ų947 Ų475%0.04825%0.251CS..  trans-11899.1179.3177.729.5000111.2Q117 T121 G122 I123 I124 R175Q117-D119 PolarHBondContact O-N 3.42Å; D119-T121 PolarHBondContact O-N 2.87Å; D119-T121 VanDerWaalsContact O-N 3.12Å; D119-T121 WeakPolarHBondContact OD1-CB 3.15Å; D119-T121 PolarHBondContact OD1-N 3.36Å; D119-T121 PolarHBondContact OD1-OG1 3Å; D119-T121 PolarHBondContact OD2-OG1 3.39Å; D119-T121 VanDerWaalsContact OD2-OG1 3.04Å; D119-G122 PolarHBondContact O-N 3.32Å; D119-G122 VanDerWaalsContact O-N 3.11Å; D119-I123 PolarHBondContact OD2-N 3.08Å; D119-I124 HydrophobicContact CB-CB 4.03Å; D119-I124 HydrophobicContact CB-CG1 3.87Å; D119-I124 WeakPolarHBondContact OD2-CG1 3.26Å; D119-I124 PolarHBondContact OD2-N 3.34Å; D119-R175 IonicContact OD1-CZ 3.21Å; D119-R175 IonicContact OD1-NE 3.68Å; D119-R175 PolarHBondContact OD1-NE 3.48Å
120E81.8Confident89.6Confident200 Ų20042.4 Ų42.494%0.93523%0.231SC*.THydrogen-bonded Turntrans-60.7-20.4178.6-63-175.6170.700113.3G122E120-G122 VanDerWaalsContact C-N 3.29Å; E120-G122 PolarHBondContact O-N 2.87Å
121T85.5Confident89.7Confident38 Ų3842.1 Ų42.123%0.23323%0.228CC..THydrogen-bonded Turntrans-78.2-14.8179.868.80000113.4D119 I123 R175 F1321D119-T121 PolarHBondContact O-N 2.87Å; D119-T121 VanDerWaalsContact O-N 3.12Å; D119-T121 WeakPolarHBondContact OD1-CB 3.15Å; D119-T121 PolarHBondContact OD1-N 3.36Å; D119-T121 PolarHBondContact OD1-OG1 3Å; D119-T121 PolarHBondContact OD2-OG1 3.39Å; D119-T121 VanDerWaalsContact OD2-OG1 3.04Å; T121-I123 PolarHBondContact O-N 3.39Å; T121-I123 WeakPolarHBondContact OG1-CD1 3.49Å; T121-I123 VanDerWaalsContact OG1-CG1 3.22Å; T121-I123 WeakPolarHBondContact OG1-CG1 3.09Å; T121-I123 PolarHBondContact OG1-N 3.26Å; T121-R175 VanDerWaalsContact CG2-NH2 3.31Å; T121-F1321 HydrophobicContact CG2-CD1 4.2Å; T121-F1321 HydrophobicContact CG2-CE1 4.08Å
122G90.3Very high89.7Confident21 Ų2142 Ų4222%0.21623%0.228CC..SBendtrans72.13-175.600000114.6D119 E120 H125 Q126D119-G122 PolarHBondContact O-N 3.32Å; D119-G122 VanDerWaalsContact O-N 3.11Å; E120-G122 VanDerWaalsContact C-N 3.29Å; E120-G122 PolarHBondContact O-N 2.87Å; G122-H125 PolarHBondContact O-N 3.27Å; G122-Q126 VanDerWaalsContact O-CG 3.29Å; G122-Q126 WeakPolarHBondContact O-CG 3.36Å; G122-Q126 PolarHBondContact O-N 2.92Å
123I92.9Very high89.6Confident0 Ų042.7 Ų42.70%023%0.231CC..Hα-helixtrans-63.8-47.6-177.2-66.7168.1000110.8D119 T121 H125 Q126 L127 L147 A150 L151 L171D119-I123 PolarHBondContact OD2-N 3.08Å; T121-I123 PolarHBondContact O-N 3.39Å; T121-I123 WeakPolarHBondContact OG1-CD1 3.49Å; T121-I123 VanDerWaalsContact OG1-CG1 3.22Å; T121-I123 WeakPolarHBondContact OG1-CG1 3.09Å; T121-I123 PolarHBondContact OG1-N 3.26Å; I123-H125 VanDerWaalsContact C-N 3.31Å; I123-H125 PolarHBondContact O-N 3.41Å; I123-Q126 PolarHBondContact O-N 2.92Å; I123-L127 HydrophobicContact CG2-CD1 4.2Å; I123-L127 WeakPolarHBondContact O-CG 3.17Å; I123-L127 PolarHBondContact O-N 2.63Å; I123-L147 HydrophobicContact CG2-CD1 4.01Å; I123-A150 HydrophobicContact CG1-CB 3.92Å; I123-L151 HydrophobicContact CD1-CD2 3.74Å; I123-L151 HydrophobicContact CG1-CD2 4.04Å; I123-L151 HydrophobicContact CG2-CD2 4.11Å; I123-L171 HydrophobicContact CD1-CD2 4.04Å
124I94.1Very high89.6Confident0 Ų037.9 Ų37.90%021%0.205CC..Hα-helixtrans-61.8-42.5176.7-62.1-59.1000110.5I114 D119 Q126 L127 Q128 L172 R175 F176I114-I124 HydrophobicContact CB-CG2 4.08Å; I114-I124 HydrophobicContact CG2-CG2 3.86Å; D119-I124 HydrophobicContact CB-CB 4.03Å; D119-I124 HydrophobicContact CB-CG1 3.87Å; D119-I124 WeakPolarHBondContact OD2-CG1 3.26Å; D119-I124 PolarHBondContact OD2-N 3.34Å; I124-Q126 PolarHBondContact O-N 2.91Å; I124-L127 PolarHBondContact O-N 2.79Å; I124-Q128 HydrophobicContact CG2-CG 4.39Å; I124-Q128 VanDerWaalsContact O-CG 3.29Å; I124-Q128 WeakPolarHBondContact O-CG 3.23Å; I124-Q128 PolarHBondContact O-N 3.12Å; I124-L172 HydrophobicContact CD1-CD2 3.9Å; I124-R175 HydrophobicContact CD1-CB 4.19Å; I124-R175 HydrophobicContact CG1-CB 4.29Å; I124-F176 HydrophobicContact CD1-CE1 4.02Å
125H94Very high89.6Confident72 Ų7240.3 Ų40.333%0.33322%0.217SC..Hα-helixtrans-61.2-43.7177.2-176.861.1000112.1G122 I123 L127 Q128 L129G122-H125 PolarHBondContact O-N 3.27Å; I123-H125 VanDerWaalsContact C-N 3.31Å; I123-H125 PolarHBondContact O-N 3.41Å; H125-L127 PolarHBondContact O-N 3.28Å; H125-Q128 WeakPolarHBondContact O-CB 3.44Å; H125-Q128 PolarHBondContact O-N 3.39Å; H125-L129 WeakPolarHBondContact O-CG 3.42Å; H125-L129 PolarHBondContact O-N 3.44Å
126Q95.2Very high89.6Confident49 Ų4938.9 Ų38.923%0.22921%0.205CC..Hα-helixtrans-64.9-38.1176.1-67.4-61.3-30.100112.2G122 I123 I124 L129 I130 L147 A150G122-Q126 VanDerWaalsContact O-CG 3.29Å; G122-Q126 WeakPolarHBondContact O-CG 3.36Å; G122-Q126 PolarHBondContact O-N 2.92Å; I123-Q126 PolarHBondContact O-N 2.92Å; I124-Q126 PolarHBondContact O-N 2.91Å; Q126-L129 PolarHBondContact O-N 2.74Å; Q126-I130 WeakPolarHBondContact O-CB 3.48Å; Q126-I130 VanDerWaalsContact O-CG1 3.26Å; Q126-I130 WeakPolarHBondContact O-CG1 3.2Å; Q126-I130 PolarHBondContact O-N 3.11Å; Q126-L147 HydrophobicContact CB-CB 3.95Å; Q126-L147 HydrophobicContact CB-CD1 4.08Å; Q126-A150 HydrophobicContact CG-CB 4.41Å
127L96.4Very high89.7Confident1 Ų137.7 Ų37.71%0.00520%0.196CC..Hα-helixtrans-65-40173.5-72.7166.8000112.4L98 I111 I123 I124 H125 L129 I130 F131 L147 F168 L172L98-L127 HydrophobicContact CD2-CD2 3.72Å; I111-L127 HydrophobicContact CD1-CB 4.47Å; I111-L127 HydrophobicContact CD1-CD1 4.34Å; I111-L127 HydrophobicContact CG2-CB 3.93Å; I123-L127 HydrophobicContact CG2-CD1 4.2Å; I123-L127 WeakPolarHBondContact O-CG 3.17Å; I123-L127 PolarHBondContact O-N 2.63Å; I124-L127 PolarHBondContact O-N 2.79Å; H125-L127 PolarHBondContact O-N 3.28Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L127-I130 PolarHBondContact O-N 3.19Å; L127-F131 HydrophobicContact CD2-CE1 4.46Å; L127-F131 VanDerWaalsContact O-CB 3.28Å; L127-F131 WeakPolarHBondContact O-CB 3.46Å; L127-F131 WeakPolarHBondContact O-CG 3.48Å; L127-F131 PolarHBondContact O-N 2.84Å; L127-L147 HydrophobicContact CD2-CD1 4.4Å; L127-L147 HydrophobicContact CD2-CD2 3.75Å; L127-L147 HydrophobicContact CG-CD1 4.17Å; L127-L147 HydrophobicContact CG-CD2 4.4Å; L127-F168 HydrophobicContact CD1-CZ 3.86Å; L127-F168 HydrophobicContact CD2-CZ 4Å; L127-F168 HydrophobicContact CG-CZ 4.47Å; L127-L172 HydrophobicContact CD1-CD2 3.64Å
128Q95.5Very high89.4Confident4 Ų435.6 Ų35.62%0.01919%0.19CC..Hα-helixtrans-60-44.3174.2-74.8171.3-22.800111.6I111 Y112 I114 S116 I124 H125 S132 L507I111-Q128 HydrophobicContact CG2-CG 3.74Å; I111-Q128 VanDerWaalsContact O-CG 3.28Å; I111-Q128 WeakPolarHBondContact O-CG 3.48Å; I111-Q128 PolarHBondContact O-NE2 2.93Å; Y112-Q128 HydrophobicContact CD1-CG 4.49Å; I114-Q128 PolarHBondContact O-NE2 2.82Å; S116-Q128 PolarHBondContact OG-OE1 2.91Å; I124-Q128 HydrophobicContact CG2-CG 4.39Å; I124-Q128 VanDerWaalsContact O-CG 3.29Å; I124-Q128 WeakPolarHBondContact O-CG 3.23Å; I124-Q128 PolarHBondContact O-N 3.12Å; H125-Q128 WeakPolarHBondContact O-CB 3.44Å; H125-Q128 PolarHBondContact O-N 3.39Å; Q128-S132 WeakPolarHBondContact O-CB 3.19Å; Q128-S132 PolarHBondContact O-N 2.99Å; Q128-S132 PolarHBondContact O-OG 2.88Å; Q128-L507 HydrophobicContact CB-CD1 3.81Å; Q128-L507 HydrophobicContact CB-CD2 4.12Å; Q128-L507 HydrophobicContact CG-CD1 4.25Å
129L93.8Very high89.1Confident29 Ų2934.9 Ų34.915%0.15218%0.182CC..Hα-helixtrans-62.6-50.8174.9-69.1176.4000111.4H125 Q126 L127 F131 S132 Q133 L507 T510 I511H125-L129 WeakPolarHBondContact O-CG 3.42Å; H125-L129 PolarHBondContact O-N 3.44Å; Q126-L129 PolarHBondContact O-N 2.74Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L129-F131 PolarHBondContact O-N 2.78Å; L129-S132 WeakPolarHBondContact CA-OG 3.22Å; L129-S132 PolarHBondContact O-N 3.02Å; L129-S132 PolarHBondContact O-OG 3.45Å; L129-Q133 WeakPolarHBondContact O-CB 3.32Å; L129-Q133 WeakPolarHBondContact O-CG 3.38Å; L129-Q133 PolarHBondContact O-N 2.94Å; L129-L507 HydrophobicContact CD2-CD2 4.25Å; L129-T510 HydrophobicContact CD2-CG2 4.1Å; L129-I511 HydrophobicContact CD2-CD1 4.42Å
130I95.2Very high89Confident1 Ų135 Ų351%0.00519%0.186CC..Hα-helixtrans-60.2-46.8179.9-68.6165.6000110.8L85 L98 Q126 L127 Q133 L134 V142 P144 L147L85-I130 HydrophobicContact CD2-CG2 4.02Å; L98-I130 HydrophobicContact CD1-CD1 4.29Å; L98-I130 HydrophobicContact CD1-CG2 4.4Å; Q126-I130 WeakPolarHBondContact O-CB 3.48Å; Q126-I130 VanDerWaalsContact O-CG1 3.26Å; Q126-I130 WeakPolarHBondContact O-CG1 3.2Å; Q126-I130 PolarHBondContact O-N 3.11Å; L127-I130 PolarHBondContact O-N 3.19Å; I130-Q133 PolarHBondContact O-N 3.49Å; I130-L134 HydrophobicContact CG2-CD1 3.97Å; I130-L134 HydrophobicContact CG2-CG 4.37Å; I130-L134 WeakPolarHBondContact O-CB 3.27Å; I130-L134 VanDerWaalsContact O-CG 3.28Å; I130-L134 WeakPolarHBondContact O-CG 3.15Å; I130-L134 PolarHBondContact O-N 2.97Å; I130-V142 HydrophobicContact CB-CG1 4.42Å; I130-V142 HydrophobicContact CG1-CG1 4.43Å; I130-V142 HydrophobicContact CG2-CG1 4.07Å; I130-P144 HydrophobicContact CD1-CB 4.04Å; I130-L147 HydrophobicContact CD1-CB 3.58Å; I130-L147 HydrophobicContact CD1-CD2 3.78Å; I130-L147 HydrophobicContact CD1-CG 4.3Å
131F95.4Very high89.2Confident0 Ų029.5 Ų29.50%016%0.161CC..Hα-helixtrans-69.7-39.6-177.4-76.910.8000112L98 F102 R108 I111 Y112 L127 L129 Q133 L134 Q135L98-F131 HydrophobicContact CD2-CE1 4.37Å; F102-F131 HydrophobicContact CB-CD1 4.09Å; F102-F131 HydrophobicContact CB-CE1 3.87Å; F102-F131 HydrophobicContact CB-CZ 4.15Å; F102-F131 HydrophobicContact CD2-CB 3.99Å; F102-F131 HydrophobicContact CD2-CD1 4.04Å; F102-F131 HydrophobicContact CD2-CD2 4.33Å; F102-F131 AromaticContact CD2-CG 3.88Å; F102-F131 HydrophobicContact CD2-CG 3.88Å; F102-F131 HydrophobicContact CE2-CB 4.39Å; F102-F131 VanDerWaalsContact CE2-O 3.3Å; F102-F131 WeakPolarHBondContact CE2-O 3.33Å; R108-F131 HydrophobicContact CB-CD2 4.21Å; R108-F131 HydrophobicContact CB-CE2 4.39Å; R108-F131 HydrophobicContact CG-CB 4.48Å; R108-F131 HydrophobicContact CG-CD2 3.74Å; R108-F131 HydrophobicContact CG-CE2 4.38Å; R108-F131 HydrophobicContact CG-CG 4.48Å; I111-F131 HydrophobicContact CB-CD2 4.48Å; I111-F131 HydrophobicContact CD1-CD2 4Å; I111-F131 HydrophobicContact CD1-CE2 3.41Å; I111-F131 VanDerWaalsContact CD1-CE2 3.41Å; I111-F131 HydrophobicContact CD1-CZ 4.06Å; I111-F131 HydrophobicContact CG2-CD2 4.28Å; Y112-F131 HydrophobicContact CE1-CB 3.87Å; Y112-F131 PolarHBondContact OH-O 2.91Å; Y112-F131 VanDerWaalsContact OH-O 3.14Å; L127-F131 HydrophobicContact CD2-CE1 4.46Å; L127-F131 VanDerWaalsContact O-CB 3.28Å; L127-F131 WeakPolarHBondContact O-CB 3.46Å; L127-F131 WeakPolarHBondContact O-CG 3.48Å; L127-F131 PolarHBondContact O-N 2.84Å; L129-F131 PolarHBondContact O-N 2.78Å; F131-Q133 VanDerWaalsContact C-N 3.34Å; F131-L134 HydrophobicContact CD1-CD1 4.29Å; F131-L134 PolarHBondContact O-N 3.16Å; F131-Q135 WeakPolarHBondContact O-CB 3.18Å; F131-Q135 PolarHBondContact O-N 3.01Å
132S93.7Very high89.5Confident0 Ų027.7 Ų27.70%015%0.151CC..Hα-helixtrans-66.3-37174.958.10000111.7Y112 Q128 L129 Q135 L136 I511Y112-S132 WeakPolarHBondContact OH-CA 3.03Å; Y112-S132 PolarHBondContact OH-N 3.41Å; Q128-S132 WeakPolarHBondContact O-CB 3.19Å; Q128-S132 PolarHBondContact O-N 2.99Å; Q128-S132 PolarHBondContact O-OG 2.88Å; L129-S132 WeakPolarHBondContact CA-OG 3.22Å; L129-S132 PolarHBondContact O-N 3.02Å; L129-S132 PolarHBondContact O-OG 3.45Å; S132-Q135 PolarHBondContact O-N 3.44Å; S132-L136 WeakPolarHBondContact O-CB 3.36Å; S132-L136 PolarHBondContact O-N 2.96Å; S132-I511 WeakPolarHBondContact OG-CD1 3.45Å; S132-I511 WeakPolarHBondContact OG-CG1 3.11Å
133Q91.9Very high89.6Confident25 Ų2530 Ų3012%0.11716%0.158CC..Hα-helixtrans-65.8-47.2171.5-72.6175.6-34.200111.8N83 L129 I130 F131 Q135 L136 N137 V142 I511N83-Q133 PolarHBondContact ND2-O 3.12Å; L129-Q133 WeakPolarHBondContact O-CB 3.32Å; L129-Q133 WeakPolarHBondContact O-CG 3.38Å; L129-Q133 PolarHBondContact O-N 2.94Å; I130-Q133 PolarHBondContact O-N 3.49Å; F131-Q133 VanDerWaalsContact C-N 3.34Å; Q133-Q135 PolarHBondContact O-N 3.14Å; Q133-Q135 VanDerWaalsContact O-N 3.12Å; Q133-L136 PolarHBondContact O-N 2.93Å; Q133-N137 HydrophobicContact CB-CB 4.28Å; Q133-N137 WeakPolarHBondContact O-CA 3.45Å; Q133-N137 WeakPolarHBondContact O-CB 3.25Å; Q133-N137 PolarHBondContact O-N 3.1Å; Q133-V142 HydrophobicContact CB-CB 4.38Å; Q133-V142 HydrophobicContact CB-CG1 3.87Å; Q133-V142 HydrophobicContact CB-CG2 3.69Å; Q133-I511 HydrophobicContact CG-CD1 3.45Å; Q133-I511 VanDerWaalsContact CG-CD1 3.45Å; Q133-I511 HydrophobicContact CG-CG1 4.23Å; Q133-I511 HydrophobicContact CG-CG2 4.45Å
134L91.9Very high89.7Confident10 Ų1030 Ų305%0.05216%0.158CC..Hα-helixtrans-56.6-31.2176.1-74.1172.7000111.8N83 L85 F102 I130 F131 V142N83-L134 HydrophobicContact CB-CD2 4.19Å; N83-L134 PolarHBondContact ND2-O 3.48Å; N83-L134 WeakPolarHBondContact O-CD2 3.34Å; L85-L134 HydrophobicContact CD2-CD2 4.39Å; L85-L134 HydrophobicContact CG-CD2 4.33Å; F102-L134 HydrophobicContact CB-CD1 3.88Å; F102-L134 HydrophobicContact CD1-CB 4.21Å; F102-L134 HydrophobicContact CD1-CD1 4.29Å; F102-L134 HydrophobicContact CD2-CB 4Å; F102-L134 HydrophobicContact CD2-CD1 4.15Å; F102-L134 HydrophobicContact CE1-CB 4.07Å; F102-L134 HydrophobicContact CE2-CB 3.85Å; F102-L134 HydrophobicContact CG-CB 4.18Å; F102-L134 HydrophobicContact CG-CD1 3.85Å; F102-L134 HydrophobicContact CZ-CB 3.88Å; I130-L134 HydrophobicContact CG2-CD1 3.97Å; I130-L134 HydrophobicContact CG2-CG 4.37Å; I130-L134 WeakPolarHBondContact O-CB 3.27Å; I130-L134 VanDerWaalsContact O-CG 3.28Å; I130-L134 WeakPolarHBondContact O-CG 3.15Å; I130-L134 PolarHBondContact O-N 2.97Å; F131-L134 HydrophobicContact CD1-CD1 4.29Å; F131-L134 PolarHBondContact O-N 3.16Å; L134-V142 HydrophobicContact CD2-CB 4.32Å; L134-V142 HydrophobicContact CD2-CG2 3.8Å; L134-V142 HydrophobicContact CG-CG2 4.1Å
135Q90.3Very high89.7Confident59 Ų5930.7 Ų30.728%0.27617%0.166SC..Hα-helixtrans-87.1-35.4-179.3-171.2165.2-25.100115.4F102 Y112 F131 S132 Q133 I501 V503F102-Q135 HydrophobicContact CE2-CB 3.99Å; F102-Q135 HydrophobicContact CZ-CB 3.88Å; Y112-Q135 PolarHBondContact OH-OE1 3.1Å; F131-Q135 WeakPolarHBondContact O-CB 3.18Å; F131-Q135 PolarHBondContact O-N 3.01Å; S132-Q135 PolarHBondContact O-N 3.44Å; Q133-Q135 PolarHBondContact O-N 3.14Å; Q133-Q135 VanDerWaalsContact O-N 3.12Å; Q135-I501 PolarHBondContact NE2-O 2.98Å; Q135-V503 HydrophobicContact CB-CG2 4.28Å; Q135-V503 HydrophobicContact CG-CG2 4.07Å
136L87.2Confident89.6Confident41 Ų4128.3 Ų28.322%0.21516%0.16CC..Hα-helixtrans-120.1-11.9-169.6-60.4179.6000114.8S132 Q133 V503 R508 I511 N515S132-L136 WeakPolarHBondContact O-CB 3.36Å; S132-L136 PolarHBondContact O-N 2.96Å; Q133-L136 PolarHBondContact O-N 2.93Å; L136-V503 HydrophobicContact CD1-CB 3.87Å; L136-V503 HydrophobicContact CD1-CG1 3.92Å; L136-V503 HydrophobicContact CD1-CG2 3.8Å; L136-V503 HydrophobicContact CD2-CG2 4.32Å; L136-V503 HydrophobicContact CG-CG2 3.92Å; L136-R508 HydrophobicContact CD1-CB 4.16Å; L136-R508 HydrophobicContact CD1-CG 4.13Å; L136-I511 HydrophobicContact CB-CG2 4.04Å; L136-N515 PolarHBondContact O-ND2 3.06Å
137N81.4Confident89.7Confident11 Ų1126 Ų266%0.05915%0.149CC..  trans-72.5140.1-175.5-170.14000110.9N83 Q133 S139 I141 N515N83-N137 PolarHBondContact ND2-O 2.86Å; N83-N137 PolarHBondContact OD1-O 3.21Å; Q133-N137 HydrophobicContact CB-CB 4.28Å; Q133-N137 WeakPolarHBondContact O-CA 3.45Å; Q133-N137 WeakPolarHBondContact O-CB 3.25Å; Q133-N137 PolarHBondContact O-N 3.1Å; N137-S139 PolarHBondContact ND2-OG 3.08Å; N137-S139 WeakPolarHBondContact OD1-CB 3.37Å; N137-S139 PolarHBondContact OD1-N 2.78Å; N137-S139 PolarHBondContact OD1-OG 3.3Å; N137-S139 VanDerWaalsContact OD1-OG 3.11Å; N137-I141 PolarHBondContact ND2-O 2.61Å; N137-N515 VanDerWaalsContact CG-OD1 3.29Å; N137-N515 PolarHBondContact OD1-OD1 2.8Å
138N72.3Confident89.5Confident127 Ų12726.6 Ų26.668%0.67915%0.152SC*.SBendtrans-103.6-6.1177.4-64.9-19.9000112.4G140N138-G140 VanDerWaalsContact C-N 3.31Å
139S70.8Confident89.4Confident36 Ų3633.9 Ų33.925%0.25219%0.187SC..SBendtrans-78.3-13.4-176.677.80000113.8N137 I141N137-S139 PolarHBondContact ND2-OG 3.08Å; N137-S139 WeakPolarHBondContact OD1-CB 3.37Å; N137-S139 PolarHBondContact OD1-N 2.78Å; N137-S139 PolarHBondContact OD1-OG 3.3Å; N137-S139 VanDerWaalsContact OD1-OG 3.11Å; S139-I141 PolarHBondContact O-N 3.29Å; S139-I141 PolarHBondContact OG-N 2.89Å; S139-I141 PolarHBondContact OG-O 2.9Å; S139-I141 VanDerWaalsContact OG-O 3.06Å
140G79.7Confident89.4Confident12 Ų1233.5 Ų33.512%0.12419%0.188CC..SBendtrans79-7.9-176.100000114.4N83 G84 N138N83-G140 CarbonylContact C-O 3.59Å; N83-G140 WeakPolarHBondContact CA-O 3.48Å; N83-G140 WeakPolarHBondContact OD1-CA 3.3Å; N83-G140 PolarHBondContact OD1-N 3.25Å; G84-G140 PolarHBondContact N-O 3.41Å; N138-G140 VanDerWaalsContact C-N 3.31Å
141I85.9Confident89.2Confident83 Ų8333.6 Ų33.643%0.42619%0.188SC..EExtended strand (participates in β ladder)trans-135129.4-175.2-54.6175.6000111G84 K86 N137 S139 I389G84-I141 CarbonylContact O-C 3.55Å; G84-I141 WeakPolarHBondContact O-CA 3.47Å; K86-I141 HydrophobicContact CB-CG2 4.41Å; N137-I141 PolarHBondContact ND2-O 2.61Å; S139-I141 PolarHBondContact O-N 3.29Å; S139-I141 PolarHBondContact OG-N 2.89Å; S139-I141 PolarHBondContact OG-O 2.9Å; S139-I141 VanDerWaalsContact OG-O 3.06Å; I141-I389 HydrophobicContact CG2-CG2 4.16Å
142V91.3Very high88.9Confident1 Ų142.1 Ų42.11%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-109.9139.3174.3178.10000109.6N83 G84 L85 K86 I130 Q133 L134 P144N83-V142 HydrophobicContact CB-CG2 3.6Å; G84-V142 PolarHBondContact O-N 3.46Å; L85-V142 WeakPolarHBondContact CA-O 3.26Å; L85-V142 HydrophobicContact CD2-CB 3.65Å; L85-V142 HydrophobicContact CD2-CG1 3.57Å; K86-V142 PolarHBondContact N-O 3Å; I130-V142 HydrophobicContact CB-CG1 4.42Å; I130-V142 HydrophobicContact CG1-CG1 4.43Å; I130-V142 HydrophobicContact CG2-CG1 4.07Å; Q133-V142 HydrophobicContact CB-CB 4.38Å; Q133-V142 HydrophobicContact CB-CG1 3.87Å; Q133-V142 HydrophobicContact CB-CG2 3.69Å; L134-V142 HydrophobicContact CD2-CB 4.32Å; L134-V142 HydrophobicContact CD2-CG2 3.8Å; L134-V142 HydrophobicContact CG-CG2 4.1Å; V142-P144 WeakPolarHBondContact O-CD 3.4Å
143D92.1Very high88.7Confident68 Ų6842.9 Ų42.936%0.36422%0.224SC..  trans-101.6106.2179.9-164.2-28.2000110.9K86 Y88 G145K86-D143 IonicContact NZ-OD2 2.76Å; K86-D143 PolarHBondContact NZ-OD2 3.27Å; K86-D143 VanDerWaalsContact NZ-OD2 3.09Å; Y88-D143 WeakPolarHBondContact CE2-OD1 3.24Å; Y88-D143 VanDerWaalsContact CZ-OD1 3.27Å; Y88-D143 PolarHBondContact OH-OD1 3.48Å; Y88-D143 PolarHBondContact OH-OD2 3.29Å; D143-G145 PolarHBondContact O-N 3.46Å; D143-G145 WeakPolarHBondContact OD1-CA 3.23Å; D143-G145 PolarHBondContact OD1-N 2.88Å
144P94.8Very high88.2Confident0 Ų044 Ų440%024%0.235CC..  trans-81.47.6177.534.6-35.7000113.5L85 K86 L98 I130 V142 G146 L147 I148L85-P144 HydrophobicContact CB-CG 4.5Å; L85-P144 HydrophobicContact CD2-CB 4.27Å; L85-P144 HydrophobicContact CD2-CG 4.33Å; K86-P144 WeakPolarHBondContact O-CD 3.25Å; K86-P144 VanDerWaalsContact O-CG 3.27Å; K86-P144 WeakPolarHBondContact O-CG 3.18Å; L98-P144 HydrophobicContact CD1-CB 4.02Å; I130-P144 HydrophobicContact CD1-CB 4.04Å; V142-P144 WeakPolarHBondContact O-CD 3.4Å; P144-G146 VanDerWaalsContact C-N 3.3Å; P144-G146 PolarHBondContact O-N 3.23Å; P144-L147 PolarHBondContact O-N 3.03Å; P144-I148 HydrophobicContact CB-CD1 4.5Å; P144-I148 HydrophobicContact CG-CD1 4.21Å; P144-I148 PolarHBondContact O-N 3.29Å
145G94.5Very high87.6Confident16 Ų1647.3 Ų47.317%0.16525%0.252CS..Hα-helixtrans-54.4-40.7-173.900000114.1D143 L147 I148 E149D143-G145 PolarHBondContact O-N 3.46Å; D143-G145 WeakPolarHBondContact OD1-CA 3.23Å; D143-G145 PolarHBondContact OD1-N 2.88Å; G145-L147 VanDerWaalsContact C-N 3.33Å; G145-L147 PolarHBondContact O-N 3.09Å; G145-I148 WeakPolarHBondContact O-CB 3.3Å; G145-I148 PolarHBondContact O-N 2.95Å; G145-E149 PolarHBondContact O-N 2.94Å
146G93.6Very high87.1Confident21 Ų2149.6 Ų49.622%0.21627%0.27CS..Hα-helixtrans-65-34.9177.600000113.2P144 A150P144-G146 VanDerWaalsContact C-N 3.3Å; P144-G146 PolarHBondContact O-N 3.23Å; G146-A150 WeakPolarHBondContact O-CB 3.35Å; G146-A150 PolarHBondContact O-N 2.82Å
147L95.7Very high86.6Confident0 Ų051.8 Ų51.80%028%0.279CS..Hα-helixtrans-71.6-39.3173.9-177.465.8000111.7L94 L98 I123 Q126 L127 I130 P144 G145 E149 A150 L151L94-L147 HydrophobicContact CD1-CD2 4.27Å; L98-L147 HydrophobicContact CD1-CD2 4.15Å; L98-L147 HydrophobicContact CD2-CD2 3.73Å; L98-L147 HydrophobicContact CG-CD2 4.47Å; I123-L147 HydrophobicContact CG2-CD1 4.01Å; Q126-L147 HydrophobicContact CB-CB 3.95Å; Q126-L147 HydrophobicContact CB-CD1 4.08Å; L127-L147 HydrophobicContact CD2-CD1 4.4Å; L127-L147 HydrophobicContact CD2-CD2 3.75Å; L127-L147 HydrophobicContact CG-CD1 4.17Å; L127-L147 HydrophobicContact CG-CD2 4.4Å; I130-L147 HydrophobicContact CD1-CB 3.58Å; I130-L147 HydrophobicContact CD1-CD2 3.78Å; I130-L147 HydrophobicContact CD1-CG 4.3Å; P144-L147 PolarHBondContact O-N 3.03Å; G145-L147 VanDerWaalsContact C-N 3.33Å; G145-L147 PolarHBondContact O-N 3.09Å; L147-E149 VanDerWaalsContact C-N 3.27Å; L147-E149 PolarHBondContact O-N 3.38Å; L147-A150 PolarHBondContact O-N 2.97Å; L147-L151 HydrophobicContact CD1-CD1 3.9Å; L147-L151 HydrophobicContact CD1-CG 3.91Å; L147-L151 HydrophobicContact CD2-CD1 4.28Å; L147-L151 HydrophobicContact CG-CD1 3.77Å; L147-L151 HydrophobicContact CG-CG 4.16Å; L147-L151 VanDerWaalsContact O-CB 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 WeakPolarHBondContact O-CG 3.24Å; L147-L151 PolarHBondContact O-N 3.31Å
148I93.6Very high86.5Confident15 Ų1553.4 Ų53.48%0.07729%0.287CS..Hα-helixtrans-58.3-43.4175.6-69.9162.8000110.1Y88 T91 L94 P144 G145 R152 L153Y88-I148 HydrophobicContact CD2-CD1 3.52Å; Y88-I148 HydrophobicContact CE2-CD1 4.24Å; Y88-I148 HydrophobicContact CG-CD1 4.01Å; T91-I148 HydrophobicContact CG2-CD1 3.89Å; T91-I148 HydrophobicContact CG2-CG1 4.39Å; L94-I148 HydrophobicContact CD2-CD1 4.31Å; L94-I148 HydrophobicContact CD2-CG1 3.59Å; P144-I148 HydrophobicContact CB-CD1 4.5Å; P144-I148 HydrophobicContact CG-CD1 4.21Å; P144-I148 PolarHBondContact O-N 3.29Å; G145-I148 WeakPolarHBondContact O-CB 3.3Å; G145-I148 PolarHBondContact O-N 2.95Å; I148-R152 PolarHBondContact O-N 3.22Å; I148-R152 VanDerWaalsContact O-N 3.08Å; I148-L153 HydrophobicContact CG2-CB 4.17Å; I148-L153 PolarHBondContact O-N 3.33Å
149E93.4Very high87Confident157 Ų15748.3 Ų48.373%0.73426%0.259SS*.Hα-helixtrans-65.9-48.4175.8-174.9175-172.400112G145 L147 L151 R152G145-E149 PolarHBondContact O-N 2.94Å; L147-E149 VanDerWaalsContact C-N 3.27Å; L147-E149 PolarHBondContact O-N 3.38Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-L151 PolarHBondContact O-N 2.97Å; E149-R152 PolarHBondContact O-N 3Å
150A92.3Very high87.7Confident21 Ų2147.7 Ų47.717%0.17425%0.252CS..Hα-helixtrans-60.5-39.7179.100000112.7I123 Q126 G146 L147 R152I123-A150 HydrophobicContact CG1-CB 3.92Å; Q126-A150 HydrophobicContact CG-CB 4.41Å; G146-A150 WeakPolarHBondContact O-CB 3.35Å; G146-A150 PolarHBondContact O-N 2.82Å; L147-A150 PolarHBondContact O-N 2.97Å; A150-R152 VanDerWaalsContact C-N 3.28Å; A150-R152 PolarHBondContact O-N 3.4Å
151L92Very high88Confident3 Ų347.1 Ų47.12%0.01625%0.246CC..THydrogen-bonded Turntrans-80.9-3.8175.4-65.7178.3000113.7I123 L147 E149 L153 F168 L171 L1318I123-L151 HydrophobicContact CD1-CD2 3.74Å; I123-L151 HydrophobicContact CG1-CD2 4.04Å; I123-L151 HydrophobicContact CG2-CD2 4.11Å; L147-L151 HydrophobicContact CD1-CD1 3.9Å; L147-L151 HydrophobicContact CD1-CG 3.91Å; L147-L151 HydrophobicContact CD2-CD1 4.28Å; L147-L151 HydrophobicContact CG-CD1 3.77Å; L147-L151 HydrophobicContact CG-CG 4.16Å; L147-L151 VanDerWaalsContact O-CB 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 WeakPolarHBondContact O-CG 3.24Å; L147-L151 PolarHBondContact O-N 3.31Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-L151 PolarHBondContact O-N 2.97Å; L151-L153 VanDerWaalsContact C-N 3.25Å; L151-L153 HydrophobicContact CB-CD1 3.94Å; L151-L153 HydrophobicContact CB-CD2 4.29Å; L151-L153 HydrophobicContact CB-CG 3.67Å; L151-L153 HydrophobicContact CD1-CD1 3.88Å; L151-L153 HydrophobicContact CD1-CG 4.5Å; L151-L153 PolarHBondContact O-N 2.95Å; L151-F168 HydrophobicContact CD1-CD2 4.23Å; L151-F168 HydrophobicContact CD1-CE2 3.94Å; L151-F168 HydrophobicContact CD2-CD2 4.41Å; L151-F168 HydrophobicContact CD2-CE2 4.24Å; L151-L171 HydrophobicContact CD2-CD2 3.8Å; L151-L1318 HydrophobicContact CD2-CD2 4.07Å
152R89.4Confident88.2Confident178 Ų17843.2 Ų43.267%0.67223%0.227SC*.THydrogen-bonded Turntrans54.138.2-177.2-56.1179.3176.8173.31.5113.4I148 E149 A150I148-R152 PolarHBondContact O-N 3.22Å; I148-R152 VanDerWaalsContact O-N 3.08Å; E149-R152 PolarHBondContact O-N 3Å; A150-R152 VanDerWaalsContact C-N 3.28Å; A150-R152 PolarHBondContact O-N 3.4Å
153L88.3Confident88.1Confident16 Ų1646.1 Ų46.18%0.08424%0.24CC..  trans-78.8131.9-177.6-61.4173.6000111.1L94 I148 L151 N155 F164L94-L153 HydrophobicContact CD2-CD1 3.92Å; I148-L153 HydrophobicContact CG2-CB 4.17Å; I148-L153 PolarHBondContact O-N 3.33Å; L151-L153 VanDerWaalsContact C-N 3.25Å; L151-L153 HydrophobicContact CB-CD1 3.94Å; L151-L153 HydrophobicContact CB-CD2 4.29Å; L151-L153 HydrophobicContact CB-CG 3.67Å; L151-L153 HydrophobicContact CD1-CD1 3.88Å; L151-L153 HydrophobicContact CD1-CG 4.5Å; L151-L153 PolarHBondContact O-N 2.95Å; L153-N155 PolarHBondContact O-N 3.37Å; L153-F164 HydrophobicContact CD1-CE2 4.19Å; L153-F164 HydrophobicContact CD2-CE2 4.33Å
154C81.3Confident88.1Confident50 Ų5042.9 Ų42.934%0.33822%0.223SC..  trans-74.2122.4174.3-175.10000110.5T156 E157C154-T156 PolarHBondContact O-N 3.42Å; C154-T156 PolarHBondContact SG-OG1 2.87Å; C154-E157 HydrophobicContact CB-CB 4.31Å; C154-E157 PolarHBondContact O-N 2.95Å
155N79.5Confident88.1Confident78 Ų7842.9 Ų42.942%0.41722%0.223SC..THydrogen-bonded Turntrans-77.4-6.7-177.469.4-11.3000114.2Y88 S90 L153Y88-N155 WeakPolarHBondContact O-CB 3.35Å; S90-N155 WeakPolarHBondContact CB-O 3.35Å; S90-N155 PolarHBondContact N-O 2.99Å; L153-N155 PolarHBondContact O-N 3.37Å
156T80Confident88Confident107 Ų10743.6 Ų43.666%0.65623%0.225SC*.THydrogen-bonded Turntrans-101.2-10175.861.60000113.9S90 C154S90-T156 PolarHBondContact OG-O 2.92Å; C154-T156 PolarHBondContact O-N 3.42Å; C154-T156 PolarHBondContact SG-OG1 2.87Å
157E77.1Confident88Confident87 Ų8743.7 Ų43.741%0.40722%0.22SC..SBendtrans-115.5134.7-178.3-66.2-169.7147.700110.7S90 C154 K1314S90-E157 WeakPolarHBondContact CB-O 3.44Å; C154-E157 HydrophobicContact CB-CB 4.31Å; C154-E157 PolarHBondContact O-N 2.95Å; E157-K1314 IonicContact OE1-NZ 2.94Å
158Q78.9Confident88Confident46 Ų4643.7 Ų43.722%0.21522%0.221CC..PPolyproline II helixtrans-87138.6171.8-67-169.9-44.100109.6G346Q158-G346 PolarHBondContact NE2-O 3.41Å; Q158-G346 VanDerWaalsContact OE1-N 3.12Å; Q158-G346 PolarHBondContact OE1-O 3.03Å
159Q83.5Confident88.1Confident20 Ų2043 Ų439%0.09322%0.217CC..PPolyproline II helixtrans-92.1155.2174-57.6-61.6-24.700110.2Y93 A161 F164 T1316Y93-Q159 HydrophobicContact CD2-CB 4.24Å; Y93-Q159 HydrophobicContact CE1-CB 4.13Å; Y93-Q159 HydrophobicContact CE1-CG 4.04Å; Y93-Q159 HydrophobicContact CE2-CB 3.8Å; Y93-Q159 HydrophobicContact CE2-CG 3.9Å; Y93-Q159 VanDerWaalsContact CZ-CG 3.47Å; Y93-Q159 VanDerWaalsContact OH-CG 3.24Å; Y93-Q159 WeakPolarHBondContact OH-CG 3.22Å; Q159-A161 PolarHBondContact O-N 3.21Å; Q159-F164 HydrophobicContact CB-CB 4.28Å; Q159-T1316 HydrophobicContact CB-CG2 4.31Å; Q159-T1316 HydrophobicContact CG-CG2 4.19Å; Q159-T1316 VanDerWaalsContact OE1-CA 3.27Å; Q159-T1316 PolarHBondContact OE1-OG1 3.02Å
160D84.1Confident88Confident22 Ų2238.8 Ų38.812%0.11820%0.199CC..PPolyproline II helixtrans-68.4118.9169.4-165.5-6.1000109P162 E163 F164 Y485 F1313D160-P162 WeakPolarHBondContact OD1-CD 3.48Å; D160-E163 HydrophobicContact CB-CB 3.92Å; D160-E163 PolarHBondContact O-N 2.79Å; D160-F164 WeakPolarHBondContact O-CB 3.32Å; D160-F164 PolarHBondContact O-N 3.28Å; D160-Y485 PolarHBondContact OD1-OH 2.83Å; D160-Y485 VanDerWaalsContact OD1-OH 3.05Å; D160-F1313 HydrophobicContact CB-CB 3.97Å; D160-F1313 HydrophobicContact CB-CD2 3.62Å; D160-F1313 HydrophobicContact CB-CE2 4.32Å; D160-F1313 HydrophobicContact CB-CG 3.97Å; D160-F1313 VanDerWaalsContact CG-CD2 3.5Å; D160-F1313 WeakPolarHBondContact OD2-CD2 3.46Å
161A87.6Confident88Confident0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-59.5-45.6-169.500000113.8F97 Q159 F164 H165 L336 Y348 Y485F97-A161 HydrophobicContact CE2-CB 3.63Å; F97-A161 WeakPolarHBondContact CE2-O 3.4Å; F97-A161 HydrophobicContact CZ-CB 3.85Å; F97-A161 WeakPolarHBondContact CZ-O 3.43Å; Q159-A161 PolarHBondContact O-N 3.21Å; A161-F164 PolarHBondContact O-N 3.03Å; A161-H165 WeakPolarHBondContact O-CB 3.42Å; A161-H165 PolarHBondContact O-N 3.36Å; A161-L336 HydrophobicContact CB-CD2 4.04Å; A161-Y348 HydrophobicContact CB-CD1 4.17Å; A161-Y348 HydrophobicContact CB-CE1 3.54Å; A161-Y485 HydrophobicContact CB-CD1 4.36Å; A161-Y485 HydrophobicContact CB-CE1 3.99Å
162P88.5Confident88.1Confident1 Ų138.5 Ų38.51%0.00620%0.195CC..Hα-helixtrans-71.6-34.5-179.6-18.437.5000111.8D160 H165 C166 E213 Q269 Y485 M486D160-P162 WeakPolarHBondContact OD1-CD 3.48Å; P162-H165 WeakPolarHBondContact O-CB 3.4Å; P162-H165 PolarHBondContact O-N 3.34Å; P162-C166 WeakPolarHBondContact O-CB 3.39Å; P162-C166 PolarHBondContact O-N 2.88Å; P162-C166 PolarHBondContact O-SG 2.79Å; P162-E213 WeakPolarHBondContact CB-OE1 3.22Å; P162-Q269 HydrophobicContact CB-CG 3.91Å; P162-Q269 HydrophobicContact CG-CG 3.7Å; P162-Y485 HydrophobicContact CG-CE1 3.72Å; P162-M486 HydrophobicContact CB-CE 4.42Å; P162-M486 HydrophobicContact CB-SD 4.11Å; P162-M486 HydrophobicContact CG-CG 4.21Å; P162-M486 HydrophobicContact CG-SD 3.9Å
163E89.9Confident88.2Confident62 Ų6230.3 Ų30.329%0.2916%0.164SC..Hα-helixtrans-63.1-49.2171.6-169.9-174.1-15100110.6D160 H165 C166 L167 G1315 T1316D160-E163 HydrophobicContact CB-CB 3.92Å; D160-E163 PolarHBondContact O-N 2.79Å; E163-H165 VanDerWaalsContact C-N 3.32Å; E163-H165 PolarHBondContact O-N 2.71Å; E163-C166 PolarHBondContact O-N 3.15Å; E163-L167 HydrophobicContact CG-CD1 4.2Å; E163-L167 HydrophobicContact CG-CG 4.49Å; E163-L167 WeakPolarHBondContact O-CB 3.24Å; E163-L167 VanDerWaalsContact O-CG 3.3Å; E163-L167 WeakPolarHBondContact O-CG 3.45Å; E163-L167 PolarHBondContact O-N 2.74Å; E163-G1315 WeakPolarHBondContact OE1-CA 3.41Å; E163-T1316 PolarHBondContact OE1-N 3.22Å; E163-T1316 VanDerWaalsContact OE2-CB 3.25Å; E163-T1316 WeakPolarHBondContact OE2-CB 3.39Å; E163-T1316 PolarHBondContact OE2-N 3.05Å; E163-T1316 PolarHBondContact OE2-OG1 3.06Å
164F92.9Very high88.3Confident0 Ų031.4 Ų31.40%018%0.175CC..Hα-helixtrans-56.8-45.4174173.9-91.6000111.5Y93 L94 F97 L153 Q159 D160 A161 L167 F168 T1316 L1318Y93-F164 HydrophobicContact CD2-CB 4.41Å; Y93-F164 HydrophobicContact CD2-CD1 4.01Å; Y93-F164 HydrophobicContact CD2-CD2 4.31Å; Y93-F164 HydrophobicContact CD2-CE1 4.44Å; Y93-F164 AromaticContact CD2-CG 3.96Å; Y93-F164 HydrophobicContact CD2-CG 3.96Å; Y93-F164 HydrophobicContact CE2-CB 4.42Å; Y93-F164 HydrophobicContact CE2-CD1 4.11Å; Y93-F164 AromaticContact CE2-CD2 3.64Å; Y93-F164 HydrophobicContact CE2-CD2 3.64Å; Y93-F164 HydrophobicContact CE2-CE1 4.36Å; Y93-F164 AromaticContact CE2-CE2 3.91Å; Y93-F164 HydrophobicContact CE2-CE2 3.91Å; Y93-F164 AromaticContact CE2-CG 3.77Å; Y93-F164 HydrophobicContact CE2-CG 3.77Å; Y93-F164 HydrophobicContact CE2-CZ 4.29Å; L94-F164 HydrophobicContact CD1-CE1 4.04Å; L94-F164 HydrophobicContact CD1-CE2 4.49Å; L94-F164 HydrophobicContact CD1-CZ 3.55Å; F97-F164 HydrophobicContact CB-CE1 4.49Å; F97-F164 AromaticContact CD2-CD1 3.6Å; F97-F164 HydrophobicContact CD2-CD1 3.6Å; F97-F164 AromaticContact CD2-CE1 3.93Å; F97-F164 HydrophobicContact CD2-CE1 3.93Å; F97-F164 AromaticContact CE2-CD1 3.86Å; F97-F164 HydrophobicContact CE2-CD1 3.86Å; F97-F164 HydrophobicContact CG-CD1 4.48Å; F97-F164 HydrophobicContact CG-CE1 4.5Å; L153-F164 HydrophobicContact CD1-CE2 4.19Å; L153-F164 HydrophobicContact CD2-CE2 4.33Å; Q159-F164 HydrophobicContact CB-CB 4.28Å; D160-F164 WeakPolarHBondContact O-CB 3.32Å; D160-F164 PolarHBondContact O-N 3.28Å; A161-F164 PolarHBondContact O-N 3.03Å; F164-L167 PolarHBondContact O-N 2.91Å; F164-F168 HydrophobicContact CE1-CB 4.19Å; F164-F168 HydrophobicContact CE1-CG 4.33Å; F164-F168 HydrophobicContact CZ-CB 4.18Å; F164-F168 HydrophobicContact CZ-CD2 4.16Å; F164-F168 HydrophobicContact CZ-CG 4.15Å; F164-F168 WeakPolarHBondContact O-CB 3.44Å; F164-F168 PolarHBondContact O-N 2.83Å; F164-T1316 HydrophobicContact CB-CG2 4.32Å; F164-T1316 HydrophobicContact CD2-CG2 4.29Å; F164-L1318 HydrophobicContact CD2-CD1 3.43Å; F164-L1318 VanDerWaalsContact CD2-CD1 3.43Å; F164-L1318 HydrophobicContact CE2-CD1 3.57Å; F164-L1318 HydrophobicContact CG-CD1 4.42Å
165H94.2Very high88.7Confident0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-56.5-52.4176.6174.662.4000111.5F97 Y101 A161 P162 E163 L167 F168 M169 E213 M486F97-H165 HydrophobicContact CE1-CB 3.82Å; F97-H165 HydrophobicContact CE2-CB 4.33Å; F97-H165 HydrophobicContact CZ-CB 3.67Å; Y101-H165 AromaticContact CE1-CE1 3.94Å; Y101-H165 AromaticContact CE1-ND1 3.56Å; Y101-H165 AromaticContact CZ-ND1 3.63Å; Y101-H165 PolarHBondContact OH-ND1 3.45Å; A161-H165 WeakPolarHBondContact O-CB 3.42Å; A161-H165 PolarHBondContact O-N 3.36Å; P162-H165 WeakPolarHBondContact O-CB 3.4Å; P162-H165 PolarHBondContact O-N 3.34Å; E163-H165 VanDerWaalsContact C-N 3.32Å; E163-H165 PolarHBondContact O-N 2.71Å; H165-L167 PolarHBondContact O-N 2.8Å; H165-F168 PolarHBondContact O-N 3.36Å; H165-M169 WeakPolarHBondContact O-CB 3.29Å; H165-M169 VanDerWaalsContact O-CG 3.25Å; H165-M169 WeakPolarHBondContact O-CG 3.29Å; H165-M169 PolarHBondContact O-N 3.42Å; H165-E213 IonicContact CD2-OE2 2.8Å; H165-M486 HydrophobicContact CB-CE 4.21Å
166C92.7Very high89.2Confident32 Ų3227.4 Ų27.422%0.21615%0.147CC..Hα-helixtrans-60.4-47179.6-76.40000112.1P162 E163 M169 N170P162-C166 WeakPolarHBondContact O-CB 3.39Å; P162-C166 PolarHBondContact O-N 2.88Å; P162-C166 PolarHBondContact O-SG 2.79Å; E163-C166 PolarHBondContact O-N 3.15Å; C166-M169 PolarHBondContact O-N 2.83Å; C166-N170 WeakPolarHBondContact O-CB 3.28Å; C166-N170 PolarHBondContact O-N 3.3Å; C166-N170 PolarHBondContact O-ND2 3.28Å
167L93.5Very high89.7Confident22 Ų2227.7 Ų27.712%0.11514%0.141CC..Hα-helixtrans-64.4-43.5179.1-69.3-177.8000111.9E163 F164 H165 N170 L171 T1316 L1318 L1319E163-L167 HydrophobicContact CG-CD1 4.2Å; E163-L167 HydrophobicContact CG-CG 4.49Å; E163-L167 WeakPolarHBondContact O-CB 3.24Å; E163-L167 VanDerWaalsContact O-CG 3.3Å; E163-L167 WeakPolarHBondContact O-CG 3.45Å; E163-L167 PolarHBondContact O-N 2.74Å; F164-L167 PolarHBondContact O-N 2.91Å; H165-L167 PolarHBondContact O-N 2.8Å; L167-N170 PolarHBondContact O-N 3.18Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 PolarHBondContact O-N 2.85Å; L167-T1316 HydrophobicContact CD1-CG2 3.72Å; L167-T1316 WeakPolarHBondContact CD1-O 3.42Å; L167-L1318 HydrophobicContact CB-CB 3.92Å; L167-L1318 HydrophobicContact CB-CD1 3.99Å; L167-L1318 HydrophobicContact CB-CG 4.5Å; L167-L1318 HydrophobicContact CD1-CB 3.82Å; L167-L1318 HydrophobicContact CG-CB 4.48Å; L167-L1319 HydrophobicContact CD2-CD1 3.52Å; L167-L1319 HydrophobicContact CD2-CD2 4.11Å; L167-L1319 HydrophobicContact CD2-CG 3.7Å
168F95.2Very high90.1Very high1 Ų129.9 Ų29.90%0.00415%0.151CC..Hα-helixtrans-66.3-40.7179-172.8-107.5000111.9Y101 L127 L151 F164 H165 L171 L172Y101-F168 HydrophobicContact CD2-CD1 4.05Å; Y101-F168 AromaticContact CD2-CE1 3.66Å; Y101-F168 HydrophobicContact CD2-CE1 3.66Å; Y101-F168 AromaticContact CE2-CD1 3.36Å; Y101-F168 HydrophobicContact CE2-CD1 3.36Å; Y101-F168 AromaticContact CE2-CE1 3.44Å; Y101-F168 HydrophobicContact CE2-CE1 3.44Å; Y101-F168 VanDerWaalsContact CE2-CE1 3.44Å; Y101-F168 HydrophobicContact CE2-CG 4.48Å; L127-F168 HydrophobicContact CD1-CZ 3.86Å; L127-F168 HydrophobicContact CD2-CZ 4Å; L127-F168 HydrophobicContact CG-CZ 4.47Å; L151-F168 HydrophobicContact CD1-CD2 4.23Å; L151-F168 HydrophobicContact CD1-CE2 3.94Å; L151-F168 HydrophobicContact CD2-CD2 4.41Å; L151-F168 HydrophobicContact CD2-CE2 4.24Å; F164-F168 HydrophobicContact CE1-CB 4.19Å; F164-F168 HydrophobicContact CE1-CG 4.33Å; F164-F168 HydrophobicContact CZ-CB 4.18Å; F164-F168 HydrophobicContact CZ-CD2 4.16Å; F164-F168 HydrophobicContact CZ-CG 4.15Å; F164-F168 WeakPolarHBondContact O-CB 3.44Å; F164-F168 PolarHBondContact O-N 2.83Å; H165-F168 PolarHBondContact O-N 3.36Å; F168-L171 HydrophobicContact CD2-CD2 4.36Å; F168-L171 WeakPolarHBondContact O-CB 3.37Å; F168-L171 PolarHBondContact O-N 3.5Å; F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CD1-CG 4.39Å; F168-L172 HydrophobicContact CE1-CD1 3.56Å; F168-L172 HydrophobicContact CE1-CG 4.1Å; F168-L172 HydrophobicContact CZ-CD1 4.05Å; F168-L172 HydrophobicContact CZ-CD2 4.27Å; F168-L172 HydrophobicContact CZ-CG 4.23Å; F168-L172 WeakPolarHBondContact O-CG 3.41Å; F168-L172 PolarHBondContact O-N 3.05Å
169M95Very high90.5Very high0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans-66-39.9175.4-72.1-58.9153.800112.6Y101 L107 H165 C166 L172 E173 I184 I188 L212Y101-M169 HydrophobicContact CD1-CE 3.39Å; Y101-M169 HydrophobicContact CD2-CE 4.1Å; Y101-M169 HydrophobicContact CE1-CE 3.07Å; Y101-M169 HydrophobicContact CE2-CE 3.8Å; Y101-M169 HydrophobicContact CG-CE 3.9Å; L107-M169 HydrophobicContact CD2-CE 4.24Å; H165-M169 WeakPolarHBondContact O-CB 3.29Å; H165-M169 VanDerWaalsContact O-CG 3.25Å; H165-M169 WeakPolarHBondContact O-CG 3.29Å; H165-M169 PolarHBondContact O-N 3.42Å; C166-M169 PolarHBondContact O-N 2.83Å; M169-L172 PolarHBondContact O-N 2.84Å; M169-L172 HydrophobicContact SD-CD1 4.46Å; M169-E173 WeakPolarHBondContact O-CB 3.31Å; M169-E173 PolarHBondContact O-N 3.39Å; M169-I184 HydrophobicContact CB-CG2 4.15Å; M169-I184 HydrophobicContact SD-CD1 3.81Å; M169-I188 HydrophobicContact CE-CD1 4.2Å; M169-I188 HydrophobicContact CG-CD1 4.4Å; M169-I188 HydrophobicContact SD-CD1 3.6Å; M169-I188 VanDerWaalsContact SD-CD1 3.6Å; M169-L212 HydrophobicContact CB-CD1 4Å
170N92.5Very high90.6Very high68 Ų6832.8 Ų32.836%0.36419%0.188SC..Hα-helixtrans-67.1-37.8174.4-72.9-40.3000112.1C166 L167 E173 A174C166-N170 WeakPolarHBondContact O-CB 3.28Å; C166-N170 PolarHBondContact O-N 3.3Å; C166-N170 PolarHBondContact O-ND2 3.28Å; L167-N170 PolarHBondContact O-N 3.18Å; N170-E173 PolarHBondContact O-N 3.31Å; N170-A174 PolarHBondContact O-N 3.21Å
171L92.7Very high90.7Very high18 Ų1834.3 Ų34.39%0.09420%0.198CC..Hα-helixtrans-60.5-48.1172.9173.368.1000111.1I123 L151 L167 F168 A174 R175 L1318I123-L171 HydrophobicContact CD1-CD2 4.04Å; L151-L171 HydrophobicContact CD2-CD2 3.8Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 PolarHBondContact O-N 2.85Å; F168-L171 HydrophobicContact CD2-CD2 4.36Å; F168-L171 WeakPolarHBondContact O-CB 3.37Å; F168-L171 PolarHBondContact O-N 3.5Å; L171-A174 PolarHBondContact O-N 2.93Å; L171-R175 WeakPolarHBondContact O-CG 3.45Å; L171-R175 PolarHBondContact O-N 2.98Å; L171-R175 VanDerWaalsContact O-N 3.12Å; L171-L1318 HydrophobicContact CD2-CD2 3.62Å
172L93.2Very high90.8Very high1 Ų136.3 Ų36.31%0.00521%0.212CC..Hα-helixtrans-62.1-43.5176.9-70.9-176.1000112.1L107 I124 L127 F168 M169 A174 R175 F176 I184L107-L172 HydrophobicContact CD1-CD1 4.31Å; I124-L172 HydrophobicContact CD1-CD2 3.9Å; L127-L172 HydrophobicContact CD1-CD2 3.64Å; F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CD1-CG 4.39Å; F168-L172 HydrophobicContact CE1-CD1 3.56Å; F168-L172 HydrophobicContact CE1-CG 4.1Å; F168-L172 HydrophobicContact CZ-CD1 4.05Å; F168-L172 HydrophobicContact CZ-CD2 4.27Å; F168-L172 HydrophobicContact CZ-CG 4.23Å; F168-L172 WeakPolarHBondContact O-CG 3.41Å; F168-L172 PolarHBondContact O-N 3.05Å; M169-L172 PolarHBondContact O-N 2.84Å; M169-L172 HydrophobicContact SD-CD1 4.46Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-A174 PolarHBondContact O-N 2.86Å; L172-R175 PolarHBondContact O-N 3.4Å; L172-R175 VanDerWaalsContact O-N 3.14Å; L172-F176 HydrophobicContact CB-CE2 4.27Å; L172-F176 HydrophobicContact CB-CZ 4.23Å; L172-F176 WeakPolarHBondContact O-CB 3.24Å; L172-F176 VanDerWaalsContact O-CD1 3.32Å; L172-F176 WeakPolarHBondContact O-CD1 3.36Å; L172-F176 WeakPolarHBondContact O-CG 3.43Å; L172-F176 PolarHBondContact O-N 3.36Å; L172-I184 HydrophobicContact CB-CD1 4.43Å; L172-I184 HydrophobicContact CB-CG1 4.4Å
173E92.6Very high91Very high5 Ų537.4 Ų37.42%0.02322%0.218CC..Hα-helixtrans-59.8-42.2176.6-17759.6-16600111.6M169 N170 R175 F176 Q177 S182 I184M169-E173 WeakPolarHBondContact O-CB 3.31Å; M169-E173 PolarHBondContact O-N 3.39Å; N170-E173 PolarHBondContact O-N 3.31Å; E173-R175 VanDerWaalsContact C-N 3.32Å; E173-R175 PolarHBondContact O-N 2.86Å; E173-F176 PolarHBondContact O-N 2.96Å; E173-Q177 HydrophobicContact CG-CG 4.36Å; E173-Q177 WeakPolarHBondContact O-CB 3.5Å; E173-Q177 VanDerWaalsContact O-CG 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.39Å; E173-Q177 PolarHBondContact O-N 3.34Å; E173-Q177 PolarHBondContact OE1-NE2 2.82Å; E173-S182 PolarHBondContact OE1-OG 3.22Å; E173-I184 HydrophobicContact CB-CB 3.93Å; E173-I184 HydrophobicContact CB-CG1 3.88Å; E173-I184 HydrophobicContact CG-CB 4.32Å; E173-I184 WeakPolarHBondContact OE2-CA 3.33Å; E173-I184 WeakPolarHBondContact OE2-CB 3.32Å; E173-I184 WeakPolarHBondContact OE2-CG1 3.46Å; E173-I184 PolarHBondContact OE2-N 2.85Å
174A90.5Very high91.1Very high39 Ų3934.4 Ų34.432%0.32221%0.205SC..Hα-helixtrans-59.9-42.3175.300000111.8N170 L171 L172 Q177 H178N170-A174 PolarHBondContact O-N 3.21Å; L171-A174 PolarHBondContact O-N 2.93Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-A174 PolarHBondContact O-N 2.86Å; A174-Q177 PolarHBondContact O-N 3.03Å; A174-H178 PolarHBondContact O-CD2 3.09Å; A174-H178 PolarHBondContact O-N 3.15Å
175R88.8Confident91.1Very high44 Ų4435.9 Ų35.917%0.16621%0.212CC..Hα-helixtrans-66.8-39.4175.9-60.9-55.8179.1-146.5-5.9112.6D119 T121 I124 L171 L172 E173 H178D119-R175 IonicContact OD1-CZ 3.21Å; D119-R175 IonicContact OD1-NE 3.68Å; D119-R175 PolarHBondContact OD1-NE 3.48Å; T121-R175 VanDerWaalsContact CG2-NH2 3.31Å; I124-R175 HydrophobicContact CD1-CB 4.19Å; I124-R175 HydrophobicContact CG1-CB 4.29Å; L171-R175 WeakPolarHBondContact O-CG 3.45Å; L171-R175 PolarHBondContact O-N 2.98Å; L171-R175 VanDerWaalsContact O-N 3.12Å; L172-R175 PolarHBondContact O-N 3.4Å; L172-R175 VanDerWaalsContact O-N 3.14Å; E173-R175 VanDerWaalsContact C-N 3.32Å; E173-R175 PolarHBondContact O-N 2.86Å; R175-H178 PolarHBondContact O-N 3.32Å
176F90.6Very high91.1Very high0 Ų040.9 Ų40.90%024%0.239CC..Hα-helixtrans-67-40.9177.6-63.1-10.8000111.2L107 A110 I111 I114 I124 L172 E173 H178 V179 G180 V181 V183 I184L107-F176 HydrophobicContact CD1-CE2 3.81Å; L107-F176 HydrophobicContact CD1-CZ 3.85Å; A110-F176 HydrophobicContact CB-CE2 4.4Å; A110-F176 HydrophobicContact CB-CZ 4.3Å; I111-F176 HydrophobicContact CG1-CE1 4.34Å; I111-F176 HydrophobicContact CG1-CZ 4.01Å; I114-F176 HydrophobicContact CD1-CD1 3.06Å; I114-F176 HydrophobicContact CD1-CE1 3.07Å; I114-F176 HydrophobicContact CD1-CG 4.15Å; I114-F176 HydrophobicContact CD1-CZ 4.18Å; I114-F176 HydrophobicContact CG1-CD1 4.41Å; I124-F176 HydrophobicContact CD1-CE1 4.02Å; L172-F176 HydrophobicContact CB-CE2 4.27Å; L172-F176 HydrophobicContact CB-CZ 4.23Å; L172-F176 WeakPolarHBondContact O-CB 3.24Å; L172-F176 VanDerWaalsContact O-CD1 3.32Å; L172-F176 WeakPolarHBondContact O-CD1 3.36Å; L172-F176 WeakPolarHBondContact O-CG 3.43Å; L172-F176 PolarHBondContact O-N 3.36Å; E173-F176 PolarHBondContact O-N 2.96Å; F176-H178 VanDerWaalsContact C-N 3.28Å; F176-H178 PolarHBondContact O-N 3.07Å; F176-V179 CarbonylContact O-C 3.5Å; F176-V179 WeakPolarHBondContact O-CG2 3.23Å; F176-V179 PolarHBondContact O-N 2.92Å; F176-G180 PolarHBondContact O-N 2.71Å; F176-V181 CarbonylContact C-O 3.53Å; F176-V181 HydrophobicContact CB-CB 4.33Å; F176-V181 VanDerWaalsContact CB-O 3.23Å; F176-V181 WeakPolarHBondContact CB-O 3.1Å; F176-V181 PolarHBondContact O-N 3.01Å; F176-V183 HydrophobicContact CD2-CB 3.85Å; F176-V183 HydrophobicContact CE2-CB 3.93Å; F176-V183 HydrophobicContact CE2-CG1 4.29Å; F176-I184 HydrophobicContact CD2-CD1 4.32Å; F176-I184 HydrophobicContact CD2-CG1 4.02Å; F176-I184 HydrophobicContact CE2-CD1 3.81Å; F176-I184 HydrophobicContact CE2-CG1 4.02Å
177Q89.5Confident91.1Very high113 Ų11339.8 Ų39.853%0.52823%0.231SC..Hα-helixtrans-63.8-32.8177.8-75.1177.43.800112.5E173 A174 V179 G180 V181E173-Q177 HydrophobicContact CG-CG 4.36Å; E173-Q177 WeakPolarHBondContact O-CB 3.5Å; E173-Q177 VanDerWaalsContact O-CG 3.25Å; E173-Q177 WeakPolarHBondContact O-CG 3.39Å; E173-Q177 PolarHBondContact O-N 3.34Å; E173-Q177 PolarHBondContact OE1-NE2 2.82Å; A174-Q177 PolarHBondContact O-N 3.03Å; Q177-V179 PolarHBondContact O-N 3.41Å; Q177-G180 PolarHBondContact O-N 2.71Å; Q177-V181 PolarHBondContact N-O 2.74Å
178H85.9Confident91.1Very high133 Ų13338.8 Ų38.862%0.61623%0.226SC*.Hα-helixtrans-59.9-26.2174.1-68.7-43000113.5A174 R175 F176A174-H178 PolarHBondContact O-CD2 3.09Å; A174-H178 PolarHBondContact O-N 3.15Å; R175-H178 PolarHBondContact O-N 3.32Å; F176-H178 VanDerWaalsContact C-N 3.28Å; F176-H178 PolarHBondContact O-N 3.07Å
179V86.4Confident91.2Very high55 Ų5540.3 Ų40.333%0.33323%0.232SC..THydrogen-bonded Turntrans-10411.9174.4-60.60000113.2I114 A118 F176 Q177 V181I114-V179 HydrophobicContact CG1-CG2 4.09Å; A118-V179 HydrophobicContact CB-CG1 3.74Å; F176-V179 CarbonylContact O-C 3.5Å; F176-V179 WeakPolarHBondContact O-CG2 3.23Å; F176-V179 PolarHBondContact O-N 2.92Å; Q177-V179 PolarHBondContact O-N 3.41Å; V179-V181 HydrophobicContact CG2-CB 4.25Å; V179-V181 HydrophobicContact CG2-CG2 4.02Å
180G85.9Confident91.2Very high72 Ų7240.3 Ų40.374%0.74223%0.232SC*.THydrogen-bonded Turntrans76.119.8177.100000114.8F176 Q177F176-G180 PolarHBondContact O-N 2.71Å; Q177-G180 PolarHBondContact O-N 2.71Å
181V87.3Confident91.4Very high55 Ų5539.6 Ų39.633%0.33323%0.226SC..  trans-109.1137.5179.4178.50000109.2F176 Q177 V179 V183F176-V181 CarbonylContact C-O 3.53Å; F176-V181 HydrophobicContact CB-CB 4.33Å; F176-V181 VanDerWaalsContact CB-O 3.23Å; F176-V181 WeakPolarHBondContact CB-O 3.1Å; F176-V181 PolarHBondContact O-N 3.01Å; Q177-V181 PolarHBondContact N-O 2.74Å; V179-V181 HydrophobicContact CG2-CB 4.25Å; V179-V181 HydrophobicContact CG2-CG2 4.02Å; V181-V183 HydrophobicContact CG1-CB 4.42Å; V181-V183 HydrophobicContact CG1-CG2 3.36Å
182S89.9Confident91.5Very high41 Ų4140.2 Ų40.229%0.28723%0.227SC..  trans-127.174177.5-169.90000110.1E173 D185 N186E173-S182 PolarHBondContact OE1-OG 3.22Å; S182-D185 WeakPolarHBondContact OG-CB 3.49Å; S182-N186 WeakPolarHBondContact O-CB 3.41Å; S182-N186 VanDerWaalsContact O-CG 3.3Å; S182-N186 PolarHBondContact O-ND2 3.34Å
183V91Very high91.6Very high24 Ų2441.4 Ų41.415%0.14523%0.233CC..Hα-helixtrans-82-37.5-176.1168.80000111.1A110 F176 V181 N186 L187A110-V183 HydrophobicContact CB-CB 4Å; A110-V183 HydrophobicContact CB-CG1 3.89Å; A110-V183 HydrophobicContact CB-CG2 3.45Å; A110-V183 VanDerWaalsContact CB-CG2 3.45Å; F176-V183 HydrophobicContact CD2-CB 3.85Å; F176-V183 HydrophobicContact CE2-CB 3.93Å; F176-V183 HydrophobicContact CE2-CG1 4.29Å; V181-V183 HydrophobicContact CG1-CB 4.42Å; V181-V183 HydrophobicContact CG1-CG2 3.36Å; V183-N186 PolarHBondContact O-N 3.24Å; V183-L187 HydrophobicContact CG1-CD2 4.45Å; V183-L187 WeakPolarHBondContact O-CB 3.45Å; V183-L187 PolarHBondContact O-N 2.9Å
184I93.8Very high91.6Very high0 Ų044.2 Ų44.20%024%0.244CC..Hα-helixtrans-71.1-39-177.3-50.9-56000110.5L107 M169 L172 E173 F176 N186 I188 R189 L212L107-I184 HydrophobicContact CD1-CD1 3.83Å; M169-I184 HydrophobicContact CB-CG2 4.15Å; M169-I184 HydrophobicContact SD-CD1 3.81Å; L172-I184 HydrophobicContact CB-CD1 4.43Å; L172-I184 HydrophobicContact CB-CG1 4.4Å; E173-I184 HydrophobicContact CB-CB 3.93Å; E173-I184 HydrophobicContact CB-CG1 3.88Å; E173-I184 HydrophobicContact CG-CB 4.32Å; E173-I184 WeakPolarHBondContact OE2-CA 3.33Å; E173-I184 WeakPolarHBondContact OE2-CB 3.32Å; E173-I184 WeakPolarHBondContact OE2-CG1 3.46Å; E173-I184 PolarHBondContact OE2-N 2.85Å; F176-I184 HydrophobicContact CD2-CD1 4.32Å; F176-I184 HydrophobicContact CD2-CG1 4.02Å; F176-I184 HydrophobicContact CE2-CD1 3.81Å; F176-I184 HydrophobicContact CE2-CG1 4.02Å; I184-N186 VanDerWaalsContact C-N 3.29Å; I184-N186 PolarHBondContact O-N 2.86Å; I184-I188 HydrophobicContact CD1-CD1 4.39Å; I184-I188 HydrophobicContact CG2-CB 4.34Å; I184-I188 PolarHBondContact O-N 2.68Å; I184-R189 PolarHBondContact O-N 3.35Å; I184-R189 VanDerWaalsContact O-N 3.1Å; I184-L212 HydrophobicContact CG2-CD2 3.98Å
185D93.1Very high91.8Very high30 Ų3043.1 Ų43.116%0.1623%0.232CC..Hα-helixtrans-63.5-35.2176.2-157.588.1000112.8S182 R189 K210 R261S182-D185 WeakPolarHBondContact OG-CB 3.49Å; D185-R189 WeakPolarHBondContact OD1-CD 3.46Å; D185-R189 IonicContact OD1-CZ 2.82Å; D185-R189 IonicContact OD1-NE 3.77Å; D185-R189 PolarHBondContact OD1-NE 2.97Å; D185-K210 IonicContact OD1-NZ 3.72Å; D185-R261 PolarHBondContact O-NH1 2.89Å; D185-R261 IonicContact OD2-CZ 2.74Å; D185-R261 IonicContact OD2-NH1 2.89Å; D185-R261 PolarHBondContact OD2-NH1 3.2Å; D185-R261 IonicContact OD2-NH2 2.82Å; D185-R261 PolarHBondContact OD2-NH2 2.91Å
186N92.6Very high92.1Very high105 Ų10542 Ų4256%0.56123%0.23SC*.Hα-helixtrans-84.1-31.9-179.3-71.9-34.6000113.2S182 V183 I184 P264S182-N186 WeakPolarHBondContact O-CB 3.41Å; S182-N186 VanDerWaalsContact O-CG 3.3Å; S182-N186 PolarHBondContact O-ND2 3.34Å; V183-N186 PolarHBondContact O-N 3.24Å; I184-N186 VanDerWaalsContact C-N 3.29Å; I184-N186 PolarHBondContact O-N 2.86Å; N186-P264 WeakPolarHBondContact O-CD 3.16Å; N186-P264 VanDerWaalsContact O-CG 3.27Å; N186-P264 WeakPolarHBondContact O-CG 3.22Å
187L93.3Very high92.4Very high10 Ų1042.6 Ų42.65%0.05223%0.234CC..Hα-helixtrans-93.2-47-173.6-178.264.5000113.2F104 E106 L107 V183 P264 L265F104-L187 HydrophobicContact CB-CD2 4.44Å; E106-L187 HydrophobicContact CB-CD1 4.15Å; E106-L187 HydrophobicContact CB-CD2 4.13Å; E106-L187 HydrophobicContact CG-CD1 4.33Å; L107-L187 HydrophobicContact CB-CD2 4Å; V183-L187 HydrophobicContact CG1-CD2 4.45Å; V183-L187 WeakPolarHBondContact O-CB 3.45Å; V183-L187 PolarHBondContact O-N 2.9Å; L187-P264 HydrophobicContact CD1-CB 4.4Å; L187-P264 WeakPolarHBondContact O-CD 3.36Å; L187-L265 HydrophobicContact CD1-CB 4.27Å; L187-L265 HydrophobicContact CG-CB 4.26Å; L187-L265 WeakPolarHBondContact O-CB 2.74Å; L187-L265 PolarHBondContact O-N 3.05Å
188I94.5Very high92.7Very high0 Ų037.4 Ų37.40%021%0.21CC..THydrogen-bonded Turntrans-113.5-28.4-165.5-50-174.2000111.7M169 I184 G190 L212 P263 L265M169-I188 HydrophobicContact CE-CD1 4.2Å; M169-I188 HydrophobicContact CG-CD1 4.4Å; M169-I188 HydrophobicContact SD-CD1 3.6Å; M169-I188 VanDerWaalsContact SD-CD1 3.6Å; I184-I188 HydrophobicContact CD1-CD1 4.39Å; I184-I188 HydrophobicContact CG2-CB 4.34Å; I184-I188 PolarHBondContact O-N 2.68Å; I188-G190 PolarHBondContact O-N 2.96Å; I188-L212 HydrophobicContact CG2-CD2 4.42Å; I188-P263 VanDerWaalsContact O-CB 3.26Å; I188-P263 WeakPolarHBondContact O-CB 3.28Å; I188-L265 HydrophobicContact CD1-CD2 4.18Å; I188-L265 HydrophobicContact CG1-CD2 4.04Å
189R96.1Very high93.2Very high34 Ų3436 Ų3613%0.12821%0.207CC..  trans-78.2119.7-173.1-161.5-177.5-54.2-77.3-0.5112.6I184 D185 K210 F211 L212I184-R189 PolarHBondContact O-N 3.35Å; I184-R189 VanDerWaalsContact O-N 3.1Å; D185-R189 WeakPolarHBondContact OD1-CD 3.46Å; D185-R189 IonicContact OD1-CZ 2.82Å; D185-R189 IonicContact OD1-NE 3.77Å; D185-R189 PolarHBondContact OD1-NE 2.97Å; R189-K210 HydrophobicContact CG-CB 4.26Å; R189-F211 WeakPolarHBondContact CA-O 3.19Å; R189-F211 WeakPolarHBondContact CG-O 3.37Å; R189-L212 HydrophobicContact CB-CD2 4.08Å; R189-L212 HydrophobicContact CG-CD2 4.21Å
190G95.5Very high93.6Very high0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-100.5169169.200000112.8I188 K210 F211 R261I188-G190 PolarHBondContact O-N 2.96Å; G190-K210 CarbonylContact O-C 3.59Å; G190-K210 WeakPolarHBondContact O-CA 3.14Å; G190-F211 VanDerWaalsContact C-CD1 3.42Å; G190-F211 PolarHBondContact N-O 3.42Å; G190-F211 WeakPolarHBondContact O-CD1 3.08Å; G190-F211 PolarHBondContact O-N 3.38Å; G190-R261 CarbonylContact C-O 3.57Å; G190-R261 VanDerWaalsContact CA-O 3.24Å; G190-R261 WeakPolarHBondContact CA-O 3.12Å
191E96.3Very high94Very high53 Ų5340.1 Ų40.125%0.24821%0.207CC..EExtended strand (participates in β ladder)trans-133.1143.2175.8-53.9-176.2-179.900110.7S209 K210 F211 I259 T260 R261E191-S209 WeakPolarHBondContact CA-O 3Å; E191-K210 HydrophobicContact CG-CG 4.15Å; E191-K210 IonicContact OE1-NZ 3.99Å; E191-F211 VanDerWaalsContact N-CE1 3.33Å; E191-I259 CarbonylContact O-C 3.51Å; E191-I259 WeakPolarHBondContact O-CA 3.44Å; E191-T260 WeakPolarHBondContact CB-OG1 3.47Å; E191-T260 PolarHBondContact O-N 3.4Å; E191-T260 PolarHBondContact O-OG1 3.06Å; E191-R261 HydrophobicContact CB-CB 3.85Å; E191-R261 HydrophobicContact CG-CB 4.01Å; E191-R261 PolarHBondContact N-O 3.5Å; E191-R261 PolarHBondContact O-N 2.88Å; E191-R261 VanDerWaalsContact O-N 3.12Å; E191-R261 IonicContact OE1-CZ 3.42Å; E191-R261 IonicContact OE1-NE 3.54Å; E191-R261 PolarHBondContact OE1-NE 2.71Å; E191-R261 IonicContact OE1-NH2 3.98Å; E191-R261 PolarHBondContact OE1-NH2 2.8Å
192Y94.7Very high94.3Very high31 Ų3140.2 Ų40.212%0.12222%0.218CC..EExtended strand (participates in β ladder)trans-137.7164.6171.262-111000110.2Y194 S209 F211 Y258Y192-Y194 HydrophobicContact CD2-CD2 4.16Å; Y192-Y194 AromaticContact CD2-CE2 3.97Å; Y192-Y194 HydrophobicContact CD2-CE2 3.97Å; Y192-Y194 AromaticContact CE2-CD2 3.63Å; Y192-Y194 HydrophobicContact CE2-CD2 3.63Å; Y192-Y194 AromaticContact CE2-CE2 3.13Å; Y192-Y194 HydrophobicContact CE2-CE2 3.13Å; Y192-Y194 AromaticContact CE2-CZ 3.6Å; Y192-Y194 AromaticContact CZ-CE2 3.86Å; Y192-S209 PolarHBondContact N-O 2.84Å; Y192-S209 PolarHBondContact O-N 3.08Å; Y192-S209 VanDerWaalsContact O-O 3.07Å; Y192-F211 HydrophobicContact CD1-CB 4.44Å; Y192-F211 AromaticContact CD1-CD1 3.28Å; Y192-F211 HydrophobicContact CD1-CD1 3.28Å; Y192-F211 AromaticContact CD1-CE1 3.75Å; Y192-F211 HydrophobicContact CD1-CE1 3.75Å; Y192-F211 HydrophobicContact CD1-CG 4.14Å; Y192-F211 HydrophobicContact CE1-CB 3.97Å; Y192-F211 AromaticContact CE1-CD1 3.7Å; Y192-F211 HydrophobicContact CE1-CD1 3.7Å; Y192-F211 HydrophobicContact CE1-CG 4.15Å; Y192-F211 HydrophobicContact CG-CD1 4.35Å; Y192-Y258 CarbonylContact C-O 2.99Å; Y192-Y258 WeakPolarHBondContact CA-O 3.46Å; Y192-Y258 WeakPolarHBondContact CB-O 3.43Å
193I95.2Very high94.6Very high25 Ų2541.4 Ų41.413%0.12822%0.219CC..EExtended strand (participates in β ladder)trans-123.4130.9177.3-160.6167.6000110.2E195 R206 P208 A257 Y258 T260I193-E195 HydrophobicContact CG2-CG 4.49Å; I193-R206 HydrophobicContact CD1-CB 3.76Å; I193-R206 HydrophobicContact CD1-CG 4.11Å; I193-R206 HydrophobicContact CG1-CB 4.16Å; I193-P208 HydrophobicContact CD1-CG 4.33Å; I193-P208 HydrophobicContact CG1-CG 4.4Å; I193-A257 VanDerWaalsContact O-CA 3.3Å; I193-A257 WeakPolarHBondContact O-CA 3.48Å; I193-Y258 HydrophobicContact CG2-CD2 4.25Å; I193-Y258 PolarHBondContact N-O 3.02Å; I193-Y258 PolarHBondContact O-N 3.45Å; I193-Y258 VanDerWaalsContact O-N 3.16Å; I193-T260 HydrophobicContact CB-CG2 3.98Å; I193-T260 HydrophobicContact CG2-CG2 3.83Å
194Y93.7Very high94.8Very high65 Ų6542.8 Ų42.826%0.25523%0.227SC..EExtended strand (participates in β ladder)trans-92.2122.4167.7-73.3-66.3000109.9Y192 R206 L207 R255 R256 A257Y192-Y194 HydrophobicContact CD2-CD2 4.16Å; Y192-Y194 AromaticContact CD2-CE2 3.97Å; Y192-Y194 HydrophobicContact CD2-CE2 3.97Å; Y192-Y194 AromaticContact CE2-CD2 3.63Å; Y192-Y194 HydrophobicContact CE2-CD2 3.63Å; Y192-Y194 AromaticContact CE2-CE2 3.13Å; Y192-Y194 HydrophobicContact CE2-CE2 3.13Å; Y192-Y194 AromaticContact CE2-CZ 3.6Å; Y192-Y194 AromaticContact CZ-CE2 3.86Å; Y194-R206 CarbonylContact O-C 3.5Å; Y194-R206 WeakPolarHBondContact O-CA 3.38Å; Y194-L207 PolarHBondContact N-O 2.69Å; Y194-L207 PolarHBondContact O-N 2.98Å; Y194-R255 HydrophobicContact CD1-CG 4.47Å; Y194-R256 WeakPolarHBondContact CA-O 3Å; Y194-A257 HydrophobicContact CD1-CB 3.79Å; Y194-A257 HydrophobicContact CE1-CB 3.76Å
195E93.9Very high94.8Very high15 Ų1544.4 Ų44.47%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-105.1123.8173.2-58.3-158.6136.800110.1I193 T204 S205 R206 R255 R256 Y258I193-E195 HydrophobicContact CG2-CG 4.49Å; E195-T204 HydrophobicContact CB-CG2 4.01Å; E195-S205 CarbonylContact C-O 3.51Å; E195-S205 VanDerWaalsContact CA-O 3.3Å; E195-S205 WeakPolarHBondContact CA-O 3.44Å; E195-R206 HydrophobicContact CG-CG 4.17Å; E195-R206 IonicContact OE1-CZ 3.11Å; E195-R206 IonicContact OE1-NE 2.68Å; E195-R206 PolarHBondContact OE1-NE 2.94Å; E195-R206 IonicContact OE1-NH2 3.57Å; E195-R206 PolarHBondContact OE1-NH2 2.99Å; E195-R255 CarbonylContact O-C 3.56Å; E195-R255 WeakPolarHBondContact O-CA 3.44Å; E195-R256 PolarHBondContact N-O 2.83Å; E195-R256 PolarHBondContact O-N 2.81Å; E195-Y258 HydrophobicContact CG-CD2 4.43Å; E195-Y258 HydrophobicContact CG-CE2 4.31Å
196N95.1Very high94.8Very high21 Ų2150.5 Ų50.511%0.11226%0.259CS..EExtended strand (participates in β ladder)trans-112.1111168.1-53.7-69.9000109.4T204 S205 Y242 I254 R255N196-T204 CarbonylContact O-C 3.58Å; N196-T204 VanDerWaalsContact O-CA 3.31Å; N196-T204 WeakPolarHBondContact O-CA 3.4Å; N196-S205 WeakPolarHBondContact CB-OG 3.01Å; N196-S205 PolarHBondContact N-O 3.36Å; N196-S205 PolarHBondContact O-N 3.04Å; N196-Y242 HydrophobicContact CB-CD2 4.29Å; N196-Y242 HydrophobicContact CB-CE2 4.05Å; N196-I254 CarbonylContact C-O 3.48Å; N196-I254 WeakPolarHBondContact CA-O 3.34Å; N196-R255 WeakPolarHBondContact OD1-CB 3.46Å; N196-R255 WeakPolarHBondContact OD1-CG 3.35Å; N196-R255 PolarHBondContact OD1-NE 3.32Å
197S96.2Very high94.9Very high13 Ų1350.5 Ų50.59%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-96.5124178.3-59.40000110.7L199 T204 G253 I254S197-L199 PolarHBondContact O-N 3.12Å; S197-T204 WeakPolarHBondContact CB-OG1 3.25Å; S197-T204 WeakPolarHBondContact OG-CG2 3.47Å; S197-T204 PolarHBondContact OG-OG1 3.26Å; S197-G253 CarbonylContact O-C 3.58Å; S197-G253 WeakPolarHBondContact O-CA 3.41Å; S197-I254 PolarHBondContact N-O 3.07Å; S197-I254 PolarHBondContact O-N 3.05Å
198C97.3Very high95Very high4 Ų454.5 Ų54.53%0.02729%0.285CS..EExtended strand (participates in β ladder)trans-74.7121.8175.5-169.90000110.8K200 C201 G202 F203 Y242 C244C198-K200 PolarHBondContact O-N 3.26Å; C198-C201 WeakPolarHBondContact CB-SG 3.37Å; C198-G202 VanDerWaalsContact O-CA 3.3Å; C198-G202 WeakPolarHBondContact O-CA 3.5Å; C198-G202 PolarHBondContact O-N 3.11Å; C198-F203 PolarHBondContact N-O 3.14Å; C198-Y242 WeakPolarHBondContact CA-OH 3.11Å; C198-Y242 WeakPolarHBondContact CB-OH 3.45Å; C198-Y242 PolarHBondContact N-OH 3.16Å; C198-C244 HydrophobicContact CB-CB 4.5Å
199L95.6Very high95Very high104 Ų10456.1 Ų56.155%0.54530%0.296SS..THydrogen-bonded Turntrans-69.1-14.6176.9-68.3179.7000113.5S197 D252 I254S197-L199 PolarHBondContact O-N 3.12Å; L199-D252 HydrophobicContact CD1-CB 4.18Å; L199-D252 PolarHBondContact N-O 2.76Å; L199-I254 HydrophobicContact CD2-CD1 3.65Å; L199-I254 HydrophobicContact CD2-CG1 3.96Å; L199-I254 HydrophobicContact CG-CG1 4.43Å
200K94.1Very high94.9Very high150 Ų15060.1 Ų60.165%0.65232%0.315SS*.THydrogen-bonded Turntrans-93.5-47.4-179.2-175.3129.5179171.10113.7C198C198-K200 PolarHBondContact O-N 3.26Å
201C95.7Very high94.9Very high63 Ų6360.8 Ų60.843%0.42632%0.318SS..THydrogen-bonded Turntrans-108.9-5-175.966.10000114C198 F203 C244 C247C198-C201 WeakPolarHBondContact CB-SG 3.37Å; C201-F203 PolarHBondContact O-N 2.84Å; C201-F203 VanDerWaalsContact O-N 3.12Å; C201-F203 VanDerWaalsContact SG-CB 3.55Å; C201-C244 VanDerWaalsContact SG-SG 3.68Å; C201-C247 VanDerWaalsContact SG-SG 3.64Å
202G93.7Very high94.9Very high56 Ų5658.8 Ų58.858%0.57731%0.309SS*.  trans73.4-8.9-177.400000115C198 T204C198-G202 VanDerWaalsContact O-CA 3.3Å; C198-G202 WeakPolarHBondContact O-CA 3.5Å; C198-G202 PolarHBondContact O-N 3.11Å; G202-T204 PolarHBondContact O-N 3.16Å
203F95.4Very high94.9Very high67 Ų6758.4 Ų58.429%0.29431%0.308SS..  trans-57.4130.1176.8178.3-104.8000111C198 C201 S245 Q246C198-F203 PolarHBondContact N-O 3.14Å; C201-F203 PolarHBondContact O-N 2.84Å; C201-F203 VanDerWaalsContact O-N 3.12Å; C201-F203 VanDerWaalsContact SG-CB 3.55Å; F203-S245 VanDerWaalsContact CE1-OG 3.26Å; F203-S245 WeakPolarHBondContact CE1-OG 3.41Å; F203-Q246 HydrophobicContact CB-CB 4.13Å; F203-Q246 HydrophobicContact CB-CG 3.76Å; F203-Q246 HydrophobicContact CD1-CB 4.43Å; F203-Q246 HydrophobicContact CD1-CG 3.83Å; F203-Q246 HydrophobicContact CD2-CG 3.43Å; F203-Q246 VanDerWaalsContact CD2-CG 3.43Å; F203-Q246 HydrophobicContact CE1-CG 4.27Å; F203-Q246 HydrophobicContact CE2-CG 3.93Å; F203-Q246 HydrophobicContact CG-CB 4.15Å; F203-Q246 HydrophobicContact CG-CG 3.37Å; F203-Q246 HydrophobicContact CZ-CG 4.32Å
204T94.5Very high94.9Very high52 Ų5257.2 Ų57.232%0.31930%0.302SS..EExtended strand (participates in β ladder)trans-115.7115.3177-61.70000109.4E195 N196 S197 G202E195-T204 HydrophobicContact CB-CG2 4.01Å; N196-T204 CarbonylContact O-C 3.58Å; N196-T204 VanDerWaalsContact O-CA 3.31Å; N196-T204 WeakPolarHBondContact O-CA 3.4Å; S197-T204 WeakPolarHBondContact CB-OG1 3.25Å; S197-T204 WeakPolarHBondContact OG-CG2 3.47Å; S197-T204 PolarHBondContact OG-OG1 3.26Å; G202-T204 PolarHBondContact O-N 3.16Å
205S94Very high95Very high34 Ų3456 Ų5624%0.23830%0.302CS..EExtended strand (participates in β ladder)trans-85.4134.8171.466.70000109.7E195 N196E195-S205 CarbonylContact C-O 3.51Å; E195-S205 VanDerWaalsContact CA-O 3.3Å; E195-S205 WeakPolarHBondContact CA-O 3.44Å; N196-S205 WeakPolarHBondContact CB-OG 3.01Å; N196-S205 PolarHBondContact N-O 3.36Å; N196-S205 PolarHBondContact O-N 3.04Å
206R93.8Very high95.1Very high159 Ų15955.2 Ų55.260%0.630%0.299SS*.EExtended strand (participates in β ladder)trans-113.6126.4176.4-69.5-176.3166.8-174.9-7109.9I193 Y194 E195I193-R206 HydrophobicContact CD1-CB 3.76Å; I193-R206 HydrophobicContact CD1-CG 4.11Å; I193-R206 HydrophobicContact CG1-CB 4.16Å; Y194-R206 CarbonylContact O-C 3.5Å; Y194-R206 WeakPolarHBondContact O-CA 3.38Å; E195-R206 HydrophobicContact CG-CG 4.17Å; E195-R206 IonicContact OE1-CZ 3.11Å; E195-R206 IonicContact OE1-NE 2.68Å; E195-R206 PolarHBondContact OE1-NE 2.94Å; E195-R206 IonicContact OE1-NH2 3.57Å; E195-R206 PolarHBondContact OE1-NH2 2.99Å
207L94.4Very high95Very high105 Ų10560.5 Ų60.555%0.5532%0.321SS..EExtended strand (participates in β ladder)trans-122.3101.1177-178.564000109.7Y194Y194-L207 PolarHBondContact N-O 2.69Å; Y194-L207 PolarHBondContact O-N 2.98Å
208P94.9Very high94.8Very high94 Ų9460.2 Ų60.261%0.6132%0.319SS*.EExtended strand (participates in β ladder)trans-68.1139.6171.8-17.731.7000111I193I193-P208 HydrophobicContact CD1-CG 4.33Å; I193-P208 HydrophobicContact CG1-CG 4.4Å
209S94.8Very high94.4Very high33 Ų3362.5 Ų62.523%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-142.3155.8179.1-73.80000110E191 Y192E191-S209 WeakPolarHBondContact CA-O 3Å; Y192-S209 PolarHBondContact N-O 2.84Å; Y192-S209 PolarHBondContact O-N 3.08Å; Y192-S209 VanDerWaalsContact O-O 3.07Å
210K95Very high94.3Very high119 Ų11959.5 Ų59.552%0.51732%0.322SS..EExtended strand (participates in β ladder)trans-111.9153.1177.7-51.8-164.2177.4-175.20110.4D185 R189 G190 E191D185-K210 IonicContact OD1-NZ 3.72Å; R189-K210 HydrophobicContact CG-CB 4.26Å; G190-K210 CarbonylContact O-C 3.59Å; G190-K210 WeakPolarHBondContact O-CA 3.14Å; E191-K210 HydrophobicContact CG-CG 4.15Å; E191-K210 IonicContact OE1-NZ 3.99Å
211F94.8Very high94.2Very high13 Ų1360.2 Ų60.26%0.05733%0.326CS..EExtended strand (participates in β ladder)trans-140.2148.3175.265.4-86000111.4R189 G190 E191 Y192 L214 P263 L266R189-F211 WeakPolarHBondContact CA-O 3.19Å; R189-F211 WeakPolarHBondContact CG-O 3.37Å; G190-F211 VanDerWaalsContact C-CD1 3.42Å; G190-F211 PolarHBondContact N-O 3.42Å; G190-F211 WeakPolarHBondContact O-CD1 3.08Å; G190-F211 PolarHBondContact O-N 3.38Å; E191-F211 VanDerWaalsContact N-CE1 3.33Å; Y192-F211 HydrophobicContact CD1-CB 4.44Å; Y192-F211 AromaticContact CD1-CD1 3.28Å; Y192-F211 HydrophobicContact CD1-CD1 3.28Å; Y192-F211 AromaticContact CD1-CE1 3.75Å; Y192-F211 HydrophobicContact CD1-CE1 3.75Å; Y192-F211 HydrophobicContact CD1-CG 4.14Å; Y192-F211 HydrophobicContact CE1-CB 3.97Å; Y192-F211 AromaticContact CE1-CD1 3.7Å; Y192-F211 HydrophobicContact CE1-CD1 3.7Å; Y192-F211 HydrophobicContact CE1-CG 4.15Å; Y192-F211 HydrophobicContact CG-CD1 4.35Å; F211-L214 HydrophobicContact CD1-CD2 4.33Å; F211-L214 HydrophobicContact CD2-CD2 3.7Å; F211-L214 HydrophobicContact CD2-CG 4.09Å; F211-L214 HydrophobicContact CE1-CD2 4.2Å; F211-L214 HydrophobicContact CE2-CD2 3.58Å; F211-L214 HydrophobicContact CE2-CG 3.77Å; F211-L214 HydrophobicContact CG-CD2 4.08Å; F211-L214 HydrophobicContact CZ-CD2 3.82Å; F211-L214 HydrophobicContact CZ-CG 4.31Å; F211-P263 HydrophobicContact CE2-CG 4.38Å; F211-L266 HydrophobicContact CE2-CD1 4.22Å
212L95.3Very high94.2Very high12 Ų1257.4 Ų57.46%0.06331%0.307CS..SBendtrans-96.3-27.2166-66.3177.1000111.1M169 I184 I188 R189 C267M169-L212 HydrophobicContact CB-CD1 4Å; I184-L212 HydrophobicContact CG2-CD2 3.98Å; I188-L212 HydrophobicContact CG2-CD2 4.42Å; R189-L212 HydrophobicContact CB-CD2 4.08Å; R189-L212 HydrophobicContact CG-CD2 4.21Å; L212-C267 WeakPolarHBondContact O-CB 3.37Å
213E95.3Very high94.4Very high23 Ų2354.8 Ų54.811%0.10728%0.279CS..SBendtrans-142.9150.8177.661.5-175.7-15900111.1P162 H165 C267 Q269 M486P162-E213 WeakPolarHBondContact CB-OE1 3.22Å; H165-E213 IonicContact CD2-OE2 2.8Å; E213-C267 CarbonylContact C-O 3.38Å; E213-C267 VanDerWaalsContact CA-O 3.24Å; E213-C267 WeakPolarHBondContact CA-O 3.09Å; E213-C267 HydrophobicContact CB-CB 4.04Å; E213-Q269 PolarHBondContact OE1-OE1 3.39Å; E213-M486 WeakPolarHBondContact OE2-CE 3.24Å
214L96.2Very high94.4Very high0 Ų051.6 Ų51.60%027%0.265CS..EExtended strand (participates in β ladder)trans-91.3115.5168-63.3-179.8000109.5F211 L216 Y230 I259 L266 C267 I268 Q269F211-L214 HydrophobicContact CD1-CD2 4.33Å; F211-L214 HydrophobicContact CD2-CD2 3.7Å; F211-L214 HydrophobicContact CD2-CG 4.09Å; F211-L214 HydrophobicContact CE1-CD2 4.2Å; F211-L214 HydrophobicContact CE2-CD2 3.58Å; F211-L214 HydrophobicContact CE2-CG 3.77Å; F211-L214 HydrophobicContact CG-CD2 4.08Å; F211-L214 HydrophobicContact CZ-CD2 3.82Å; F211-L214 HydrophobicContact CZ-CG 4.31Å; L214-L216 HydrophobicContact CB-CD2 4.07Å; L214-L216 HydrophobicContact CB-CG 4.27Å; L214-L216 PolarHBondContact O-N 3.36Å; L214-Y230 HydrophobicContact CD2-CE1 4.19Å; L214-I259 HydrophobicContact CD1-CD1 4.29Å; L214-L266 HydrophobicContact CD1-CD1 3.97Å; L214-L266 HydrophobicContact CG-CD1 4.27Å; L214-C267 PolarHBondContact N-O 2.92Å; L214-I268 HydrophobicContact CB-CG1 4.47Å; L214-I268 WeakPolarHBondContact O-CA 3.43Å; L214-Q269 PolarHBondContact O-N 3Å
215S95.3Very high94.5Very high38 Ų3851.8 Ų51.827%0.26626%0.264SS..EExtended strand (participates in β ladder)trans-88.696.8177.1-54.10000110.9Y230 Q269S215-Y230 WeakPolarHBondContact O-CE2 3.4Å; S215-Q269 VanDerWaalsContact CB-OE1 3.3Å; S215-Q269 PolarHBondContact OG-OE1 2.94Å
216L96Very high94.6Very high0 Ų050.2 Ų50.20%025%0.253CS..EExtended strand (participates in β ladder)trans-102.2131.9-172.2-53.4-178.4000112L214 L223 C226 I227 Y230 I268 Q269 L271L214-L216 HydrophobicContact CB-CD2 4.07Å; L214-L216 HydrophobicContact CB-CG 4.27Å; L214-L216 PolarHBondContact O-N 3.36Å; L216-L223 HydrophobicContact CD1-CD1 3.73Å; L216-C226 HydrophobicContact CD1-CB 4.36Å; L216-I227 HydrophobicContact CD1-CG1 3.62Å; L216-Y230 HydrophobicContact CD2-CD1 3.71Å; L216-Y230 HydrophobicContact CD2-CD2 3.86Å; L216-Y230 HydrophobicContact CD2-CE1 4.41Å; L216-Y230 HydrophobicContact CD2-CG 3.4Å; L216-Y230 VanDerWaalsContact CD2-CG 3.4Å; L216-I268 HydrophobicContact CD1-CG2 3.48Å; L216-I268 VanDerWaalsContact CD1-CG2 3.48Å; L216-I268 HydrophobicContact CG-CG2 3.88Å; L216-Q269 PolarHBondContact N-O 3.27Å; L216-L271 WeakPolarHBondContact O-CB 3.32Å; L216-L271 PolarHBondContact O-N 3.22Å
217K92.5Very high94.7Very high131 Ų13142.7 Ų42.757%0.5723%0.225SC*.EExtended strand (participates in β ladder)trans-67138.9163.9-172.8176.1-179.3178.90109.2S219K217-S219 PolarHBondContact O-N 3.21Å
218V91.8Very high94.7Very high8 Ų841.8 Ų41.85%0.04821%0.214CC..  trans-76.871.6171.4-170.10000109.1L270 R272 Y285 I289V218-L270 HydrophobicContact CG2-CB 4.15Å; V218-L270 HydrophobicContact CG2-CD2 4.5Å; V218-R272 HydrophobicContact CG2-CG 3.98Å; V218-Y285 HydrophobicContact CB-CD1 3.84Å; V218-Y285 HydrophobicContact CB-CE1 3.91Å; V218-Y285 HydrophobicContact CG1-CD1 4.06Å; V218-Y285 HydrophobicContact CG1-CE1 3.81Å; V218-Y285 HydrophobicContact CG2-CD1 4.49Å; V218-I289 HydrophobicContact CG1-CD1 4.41Å
219S89.6Confident94.7Very high51 Ų5139.9 Ų39.936%0.35720%0.199SC..  trans-86-21.8-17653.80000113.6K217 D229K217-S219 PolarHBondContact O-N 3.21Å; S219-D229 WeakPolarHBondContact CB-OD2 3.02Å; S219-D229 WeakPolarHBondContact OG-CB 3.33Å; S219-D229 PolarHBondContact OG-OD2 2.67Å
220S92.8Very high94.6Very high41 Ų4141.8 Ų41.829%0.28720%0.202SC..SBendtrans-128.5177.1176.1-175.90000111.7D225S220-D225 VanDerWaalsContact OG-CB 3.27Å; S220-D225 WeakPolarHBondContact OG-CB 3.5Å; S220-D225 PolarHBondContact OG-OD2 3.14Å
221K93.3Very high94.5Very high166 Ų16637.1 Ų37.172%0.72218%0.182SC*.SBendtrans-82.8-10.6174.2-63.8179.6-177.2173.80113.2I289 R290K221-I289 CarbonylContact O-C 3.58Å; K221-R290 WeakPolarHBondContact O-CB 3.37Å; K221-R290 PolarHBondContact O-N 2.88Å
222S95.5Very high94.3Very high4 Ų441.5 Ų41.53%0.02820%0.201CC..BIsolated β-bridgetrans-121.6146.1178.984.50000111.1D225 C226 R290S222-D225 PolarHBondContact O-N 3.23Å; S222-D225 WeakPolarHBondContact OG-CB 3.41Å; S222-D225 PolarHBondContact OG-N 3.36Å; S222-D225 PolarHBondContact OG-OD2 3.3Å; S222-C226 PolarHBondContact O-N 2.86Å; S222-C226 PolarHBondContact O-SG 3.03Å; S222-R290 WeakPolarHBondContact CA-O 3.37Å
223L97Very high94.2Very high0 Ų045.6 Ų45.60%022%0.22CC..Hα-helixtrans-62.5-45.6175.6174.168.6000112.9L216 D225 C226 I227 I268 L270 I289 R290 L291 L295 Y489L216-L223 HydrophobicContact CD1-CD1 3.73Å; L223-D225 VanDerWaalsContact C-N 3.27Å; L223-D225 PolarHBondContact O-N 3.23Å; L223-C226 WeakPolarHBondContact O-CA 3.42Å; L223-C226 WeakPolarHBondContact O-CB 3.17Å; L223-C226 PolarHBondContact O-N 3.43Å; L223-I227 HydrophobicContact CD1-CD1 4.43Å; L223-I227 HydrophobicContact CD1-CG1 4.36Å; L223-I227 HydrophobicContact CG-CD1 4.18Å; L223-I227 PolarHBondContact O-N 3.25Å; L223-I268 HydrophobicContact CD1-CD1 4.04Å; L223-I268 HydrophobicContact CD1-CG2 4.07Å; L223-I268 HydrophobicContact CD2-CD1 3.89Å; L223-I268 HydrophobicContact CG-CD1 4.41Å; L223-L270 HydrophobicContact CD1-CD2 4.39Å; L223-I289 HydrophobicContact CB-CD1 4.32Å; L223-R290 PolarHBondContact N-O 3.23Å; L223-L291 HydrophobicContact CB-CD2 3.98Å; L223-L291 HydrophobicContact CD2-CD2 4.18Å; L223-L295 HydrophobicContact CD2-CD2 4.48Å; L223-Y489 HydrophobicContact CD2-CD2 4.38Å; L223-Y489 HydrophobicContact CD2-CE2 3.42Å; L223-Y489 VanDerWaalsContact CD2-CE2 3.42Å
224P96.7Very high94.1Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-54.1-40.6175.8-31.439.6000113.5I227 R228 P292 L295 E313 V316 W478P224-I227 PolarHBondContact O-N 2.87Å; P224-R228 WeakPolarHBondContact O-CG 3.47Å; P224-R228 PolarHBondContact O-N 3.33Å; P224-P292 HydrophobicContact CG-CG 3.88Å; P224-L295 HydrophobicContact CG-CD1 4.05Å; P224-E313 WeakPolarHBondContact CB-O 3.36Å; P224-E313 WeakPolarHBondContact CG-O 3.47Å; P224-V316 HydrophobicContact CB-CG2 3.62Å; P224-W478 HydrophobicContact CG-CH2 4.16Å
225D95.8Very high94.1Very high56 Ų5655.1 Ų55.130%0.29927%0.265SS..Hα-helixtrans-66.6-36.5174.7-70.6-38000112.9S220 S222 L223 I227 R228 D229S220-D225 VanDerWaalsContact OG-CB 3.27Å; S220-D225 WeakPolarHBondContact OG-CB 3.5Å; S220-D225 PolarHBondContact OG-OD2 3.14Å; S222-D225 PolarHBondContact O-N 3.23Å; S222-D225 WeakPolarHBondContact OG-CB 3.41Å; S222-D225 PolarHBondContact OG-N 3.36Å; S222-D225 PolarHBondContact OG-OD2 3.3Å; L223-D225 VanDerWaalsContact C-N 3.27Å; L223-D225 PolarHBondContact O-N 3.23Å; D225-I227 VanDerWaalsContact C-N 3.3Å; D225-R228 PolarHBondContact O-N 3.31Å; D225-R228 IonicContact OD1-CZ 3.85Å; D225-R228 VanDerWaalsContact OD1-CZ 3.31Å; D225-R228 IonicContact OD1-NE 3.42Å; D225-R228 PolarHBondContact OD1-NE 3.19Å; D225-R228 IonicContact OD1-NH2 2.74Å; D225-R228 PolarHBondContact OD1-NH2 3.16Å; D225-D229 WeakPolarHBondContact O-CB 3.28Å; D225-D229 PolarHBondContact O-N 3.37Å
226C96Very high94.1Very high1 Ų154 Ų541%0.00726%0.255CS..Hα-helixtrans-66.2-35.9176.8-61.60000111.1L216 S222 L223 Y230L216-C226 HydrophobicContact CD1-CB 4.36Å; S222-C226 PolarHBondContact O-N 2.86Å; S222-C226 PolarHBondContact O-SG 3.03Å; L223-C226 WeakPolarHBondContact O-CA 3.42Å; L223-C226 WeakPolarHBondContact O-CB 3.17Å; L223-C226 PolarHBondContact O-N 3.43Å; C226-Y230 WeakPolarHBondContact O-CB 3.27Å; C226-Y230 PolarHBondContact O-N 2.97Å
227I96.1Very high94.1Very high1 Ų156.9 Ų56.91%0.00527%0.273CS..Hα-helixtrans-67.9-45.3173.5-59.5168.6000110.3L216 L223 P224 D225 D229 Y230 L231 I268 L295 V316L216-I227 HydrophobicContact CD1-CG1 3.62Å; L223-I227 HydrophobicContact CD1-CD1 4.43Å; L223-I227 HydrophobicContact CD1-CG1 4.36Å; L223-I227 HydrophobicContact CG-CD1 4.18Å; L223-I227 PolarHBondContact O-N 3.25Å; P224-I227 PolarHBondContact O-N 2.87Å; D225-I227 VanDerWaalsContact C-N 3.3Å; I227-D229 VanDerWaalsContact C-N 3.31Å; I227-D229 PolarHBondContact O-N 3.39Å; I227-Y230 PolarHBondContact O-N 3.26Å; I227-L231 HydrophobicContact CG2-CD1 4.03Å; I227-L231 PolarHBondContact O-N 3.41Å; I227-I268 HydrophobicContact CD1-CD1 4.39Å; I227-L295 HydrophobicContact CD1-CD1 4.28Å; I227-L295 HydrophobicContact CD1-CD2 4.04Å; I227-V316 HydrophobicContact CB-CG1 4.25Å; I227-V316 HydrophobicContact CB-CG2 4.34Å; I227-V316 HydrophobicContact CD1-CG2 4.47Å; I227-V316 HydrophobicContact CG2-CG1 3.82Å
228R94.6Very high94.1Very high87 Ų8752.1 Ų52.133%0.32826%0.262SS..Hα-helixtrans-56.1-45174.1-78.1-174.2-80.7-84.76112P224 D225 L231 K232 S315 V316P224-R228 WeakPolarHBondContact O-CG 3.47Å; P224-R228 PolarHBondContact O-N 3.33Å; D225-R228 PolarHBondContact O-N 3.31Å; D225-R228 IonicContact OD1-CZ 3.85Å; D225-R228 VanDerWaalsContact OD1-CZ 3.31Å; D225-R228 IonicContact OD1-NE 3.42Å; D225-R228 PolarHBondContact OD1-NE 3.19Å; D225-R228 IonicContact OD1-NH2 2.74Å; D225-R228 PolarHBondContact OD1-NH2 3.16Å; R228-L231 PolarHBondContact O-N 3Å; R228-K232 WeakPolarHBondContact O-CA 3.26Å; R228-K232 WeakPolarHBondContact O-CB 3.5Å; R228-K232 PolarHBondContact O-N 3.24Å; R228-S315 PolarHBondContact NH1-O 3.23Å; R228-V316 HydrophobicContact CG-CG1 3.87Å
229D93.6Very high94.2Very high54 Ų5459 Ų5929%0.28930%0.298SS..Hα-helixtrans-68.3-35.2179.1-175.861.2000112.4S219 D225 I227 K232S219-D229 WeakPolarHBondContact CB-OD2 3.02Å; S219-D229 WeakPolarHBondContact OG-CB 3.33Å; S219-D229 PolarHBondContact OG-OD2 2.67Å; D225-D229 WeakPolarHBondContact O-CB 3.28Å; D225-D229 PolarHBondContact O-N 3.37Å; I227-D229 VanDerWaalsContact C-N 3.31Å; I227-D229 PolarHBondContact O-N 3.39Å; D229-K232 WeakPolarHBondContact O-CD 3.49Å; D229-K232 VanDerWaalsContact O-CG 3.24Å; D229-K232 WeakPolarHBondContact O-CG 3.41Å; D229-K232 WeakPolarHBondContact OD1-CD 3.37Å; D229-K232 WeakPolarHBondContact OD1-CE 3.29Å; D229-K232 IonicContact OD1-NZ 2.7Å; D229-K232 PolarHBondContact OD1-NZ 3.45Å
230Y93.1Very high94.4Very high72 Ų7261.8 Ų61.828%0.28231%0.309SS..Hα-helixtrans-67.7-34.5175.8178.5-103.7000113.2L214 S215 L216 C226 I227L214-Y230 HydrophobicContact CD2-CE1 4.19Å; S215-Y230 WeakPolarHBondContact O-CE2 3.4Å; L216-Y230 HydrophobicContact CD2-CD1 3.71Å; L216-Y230 HydrophobicContact CD2-CD2 3.86Å; L216-Y230 HydrophobicContact CD2-CE1 4.41Å; L216-Y230 HydrophobicContact CD2-CG 3.4Å; L216-Y230 VanDerWaalsContact CD2-CG 3.4Å; C226-Y230 WeakPolarHBondContact O-CB 3.27Å; C226-Y230 PolarHBondContact O-N 2.97Å; I227-Y230 PolarHBondContact O-N 3.26Å
231L92.5Very high94.5Very high22 Ų2264.3 Ų64.312%0.11531%0.312CS..THydrogen-bonded Turntrans-1028-179.2-59.3176.9000113.3I227 R228 A257 I259 C318I227-L231 HydrophobicContact CG2-CD1 4.03Å; I227-L231 PolarHBondContact O-N 3.41Å; R228-L231 PolarHBondContact O-N 3Å; L231-A257 HydrophobicContact CD2-CB 3.76Å; L231-I259 HydrophobicContact CD1-CD1 4.15Å; L231-I259 HydrophobicContact CD1-CG1 4.17Å; L231-C318 HydrophobicContact CD1-CB 3.37Å
232K92Very high94.5Very high105 Ų10557.7 Ų57.746%0.45728%0.283SS..SBendtrans-63.6155.5-178.478.5-172.5171-167.90111.2R228 D229 E234R228-K232 WeakPolarHBondContact O-CA 3.26Å; R228-K232 WeakPolarHBondContact O-CB 3.5Å; R228-K232 PolarHBondContact O-N 3.24Å; D229-K232 WeakPolarHBondContact O-CD 3.49Å; D229-K232 VanDerWaalsContact O-CG 3.24Å; D229-K232 WeakPolarHBondContact O-CG 3.41Å; D229-K232 WeakPolarHBondContact OD1-CD 3.37Å; D229-K232 WeakPolarHBondContact OD1-CE 3.29Å; D229-K232 IonicContact OD1-NZ 2.7Å; D229-K232 PolarHBondContact OD1-NZ 3.45Å; K232-E234 PolarHBondContact O-N 3.05Å
233E92.8Very high94.5Very high97 Ų9761.1 Ų61.145%0.45331%0.311SS..  trans-64.6126.6171.5-172176.8127.600111.3I254 R255 R256E233-I254 HydrophobicContact CG-CG2 3.3Å; E233-I254 WeakPolarHBondContact OE1-CD1 3.37Å; E233-I254 WeakPolarHBondContact OE1-CG2 3.41Å; E233-R255 WeakPolarHBondContact CA-O 3.37Å; E233-R256 HydrophobicContact CB-CG 4.12Å; E233-R256 HydrophobicContact CG-CG 3.79Å; E233-R256 WeakPolarHBondContact OE2-CD 3.27Å
234E93.4Very high94.4Very high87 Ų8761.2 Ų61.241%0.40731%0.312SS..EExtended strand (participates in β ladder)trans-109.9131.8177-62.2-177.7159.600111.1K232 R255K232-E234 PolarHBondContact O-N 3.05Å; E234-R255 HydrophobicContact CB-CB 4.31Å; E234-R255 PolarHBondContact N-O 2.88Å; E234-R255 PolarHBondContact O-N 3.47Å
235Q95.6Very high94.3Very high136 Ų13665.4 Ų65.464%0.63634%0.341SS*.EExtended strand (participates in β ladder)trans-85.8117.8173.7-66.9-170.3800110.9V237Q235-V237 HydrophobicContact CB-CG1 4.23Å; Q235-V237 HydrophobicContact CB-CG2 4.43Å; Q235-V237 PolarHBondContact O-N 2.8Å
236L95.5Very high94.2Very high14 Ų1469.1 Ų69.17%0.07336%0.357CS..EExtended strand (participates in β ladder)trans-90.674.6176.4-58.8-176.2000109.7Y242 D252 G253 R255L236-Y242 HydrophobicContact CB-CD1 4.47Å; L236-Y242 HydrophobicContact CD1-CD1 4.02Å; L236-Y242 HydrophobicContact CD1-CG 4.12Å; L236-D252 VanDerWaalsContact O-CA 3.27Å; L236-D252 WeakPolarHBondContact O-CA 3.15Å; L236-G253 PolarHBondContact N-O 3.34Å; L236-G253 PolarHBondContact O-N 3.32Å; L236-R255 HydrophobicContact CD1-CB 4.03Å; L236-R255 HydrophobicContact CD2-CB 4.43Å; L236-R255 HydrophobicContact CG-CB 4.15Å
237V95.5Very high94.2Very high61 Ų6170.7 Ų70.737%0.3737%0.367SS..  trans-116.5163.8-175.5-64.30000112.6Q235 D239 N240 D252Q235-V237 HydrophobicContact CB-CG1 4.23Å; Q235-V237 HydrophobicContact CB-CG2 4.43Å; Q235-V237 PolarHBondContact O-N 2.8Å; V237-D239 PolarHBondContact O-N 3.41Å; V237-N240 WeakPolarHBondContact O-CB 3.38Å; V237-N240 PolarHBondContact O-N 2.75Å; V237-N240 VanDerWaalsContact O-N 3.09Å; V237-D252 WeakPolarHBondContact CA-OD1 3.26Å; V237-D252 HydrophobicContact CG1-CB 4.16Å
238G93.4Very high94Very high32 Ų3274 Ų7433%0.3340%0.402SS..G310 helixtrans63.6-127.7174.700000112.5N240 R241G238-N240 PolarHBondContact O-N 2.88Å; G238-R241 VanDerWaalsContact O-CG 3.23Å; G238-R241 WeakPolarHBondContact O-CG 3.41Å; G238-R241 PolarHBondContact O-N 3.11Å; G238-R241 PolarHBondContact O-NE 3.21Å; G238-R241 PolarHBondContact O-NH1 2.94Å; G238-R241 VanDerWaalsContact O-NH1 3.08Å; G238-R241 PolarHBondContact O-NH2 3.44Å
239D93.2Very high94Very high153 Ų15372.3 Ų72.382%0.81840%0.403SS*.G310 helixtrans-71-21.2178.5-63.8-28.2000112.6V237 R241V237-D239 PolarHBondContact O-N 3.41Å; D239-R241 VanDerWaalsContact C-N 3.29Å; D239-R241 PolarHBondContact O-N 3.37Å
240N94.2Very high94.2Very high108 Ų10876.2 Ų76.258%0.57842%0.417SS*.G310 helixtrans-8610.3178.2-65.3-26.4000113.8V237 G238V237-N240 WeakPolarHBondContact O-CB 3.38Å; V237-N240 PolarHBondContact O-N 2.75Å; V237-N240 VanDerWaalsContact O-N 3.09Å; G238-N240 PolarHBondContact O-N 2.88Å
241R95.3Very high94.3Very high94 Ų9476 Ų7636%0.35542%0.416SS..  trans-55.7138.9173.6-79.4-174.9-60.6-93.3-7.7112.1G238 D239 K250 R251 D252G238-R241 VanDerWaalsContact O-CG 3.23Å; G238-R241 WeakPolarHBondContact O-CG 3.41Å; G238-R241 PolarHBondContact O-N 3.11Å; G238-R241 PolarHBondContact O-NE 3.21Å; G238-R241 PolarHBondContact O-NH1 2.94Å; G238-R241 VanDerWaalsContact O-NH1 3.08Å; G238-R241 PolarHBondContact O-NH2 3.44Å; D239-R241 VanDerWaalsContact C-N 3.29Å; D239-R241 PolarHBondContact O-N 3.37Å; R241-K250 HydrophobicContact CB-CB 4.06Å; R241-R251 WeakPolarHBondContact CB-O 3.47Å; R241-R251 WeakPolarHBondContact CG-O 3.4Å; R241-D252 WeakPolarHBondContact CD-OD1 3.27Å; R241-D252 WeakPolarHBondContact CG-OD1 3.22Å
242Y93.1Very high94.5Very high27 Ų2778.2 Ų78.211%0.10643%0.428CS..EExtended strand (participates in β ladder)trans-94.4152.7177.485.8-74.9000112.3N196 C198 L236 C244 K250 R251N196-Y242 HydrophobicContact CB-CD2 4.29Å; N196-Y242 HydrophobicContact CB-CE2 4.05Å; C198-Y242 WeakPolarHBondContact CA-OH 3.11Å; C198-Y242 WeakPolarHBondContact CB-OH 3.45Å; C198-Y242 PolarHBondContact N-OH 3.16Å; L236-Y242 HydrophobicContact CB-CD1 4.47Å; L236-Y242 HydrophobicContact CD1-CD1 4.02Å; L236-Y242 HydrophobicContact CD1-CG 4.12Å; Y242-C244 HydrophobicContact CE2-CB 3.91Å; Y242-C244 PolarHBondContact O-N 3.07Å; Y242-K250 CarbonylContact O-C 3.58Å; Y242-K250 VanDerWaalsContact O-CA 3.28Å; Y242-K250 WeakPolarHBondContact O-CA 3.33Å; Y242-R251 WeakPolarHBondContact CD1-O 3.43Å; Y242-R251 PolarHBondContact N-O 2.93Å; Y242-R251 PolarHBondContact O-N 3.01Å
243A94.4Very high94.7Very high76 Ų7673.2 Ų73.263%0.62841%0.406SS*.EExtended strand (participates in β ladder)trans-77.3104.8174.700000110.2
244C96Very high94.9Very high2 Ų270 Ų701%0.01439%0.392CS..EExtended strand (participates in β ladder)trans-79.3122.8177.2170.70000109.8C198 C201 Y242 Q246 C247 G248 C249 R251C198-C244 HydrophobicContact CB-CB 4.5Å; C201-C244 VanDerWaalsContact SG-SG 3.68Å; Y242-C244 HydrophobicContact CE2-CB 3.91Å; Y242-C244 PolarHBondContact O-N 3.07Å; C244-Q246 VanDerWaalsContact C-N 3.33Å; C244-Q246 PolarHBondContact O-N 3.16Å; C244-C247 HydrophobicContact CB-CB 3.95Å; C244-C247 PolarHBondContact O-N 3.48Å; C244-G248 PolarHBondContact O-N 3.28Å; C244-C249 PolarHBondContact N-O 3.38Å; C244-R251 HydrophobicContact CB-CB 4.2Å; C244-R251 HydrophobicContact CB-CG 3.99Å
245S93.9Very high95Very high88 Ų8869.9 Ų69.962%0.61539%0.388SS*.THydrogen-bonded Turntrans-62.6-35.8-178.854.10000113.3F203F203-S245 VanDerWaalsContact CE1-OG 3.26Å; F203-S245 WeakPolarHBondContact CE1-OG 3.41Å
246Q94.4Very high94.8Very high134 Ų13467.2 Ų67.263%0.62637%0.372SS*.THydrogen-bonded Turntrans-72.7-32.3175.6-69.6-64.8-41.200113F203 C244F203-Q246 HydrophobicContact CB-CB 4.13Å; F203-Q246 HydrophobicContact CB-CG 3.76Å; F203-Q246 HydrophobicContact CD1-CB 4.43Å; F203-Q246 HydrophobicContact CD1-CG 3.83Å; F203-Q246 HydrophobicContact CD2-CG 3.43Å; F203-Q246 VanDerWaalsContact CD2-CG 3.43Å; F203-Q246 HydrophobicContact CE1-CG 4.27Å; F203-Q246 HydrophobicContact CE2-CG 3.93Å; F203-Q246 HydrophobicContact CG-CB 4.15Å; F203-Q246 HydrophobicContact CG-CG 3.37Å; F203-Q246 HydrophobicContact CZ-CG 4.32Å; C244-Q246 VanDerWaalsContact C-N 3.33Å; C244-Q246 PolarHBondContact O-N 3.16Å
247C95Very high94.7Very high34 Ų3467 Ų6723%0.2337%0.372CS..THydrogen-bonded Turntrans-85-17.8177.4-72.40000113.4C201 C244 C249 R251C201-C247 VanDerWaalsContact SG-SG 3.64Å; C244-C247 HydrophobicContact CB-CB 3.95Å; C244-C247 PolarHBondContact O-N 3.48Å; C247-C249 PolarHBondContact O-N 3.19Å; C247-R251 HydrophobicContact CB-CG 3.81Å; C247-R251 PolarHBondContact SG-NE 2.93Å
248G93.1Very high94.7Very high72 Ų7266 Ų6674%0.74236%0.362SS*.THydrogen-bonded Turntrans62.914.3-17300000114.5C244C244-G248 PolarHBondContact O-N 3.28Å
249C94.7Very high94.8Very high51 Ų5164.6 Ų64.635%0.34535%0.347SS..EExtended strand (participates in β ladder)trans-152.8168.4-176.665.50000112.4C244 C247 R251C244-C249 PolarHBondContact N-O 3.38Å; C247-C249 PolarHBondContact O-N 3.19Å; C249-R251 PolarHBondContact O-N 2.78Å
250K96.9Very high94.8Very high135 Ų13559.3 Ų59.359%0.58732%0.32SS*.EExtended strand (participates in β ladder)trans-65.1130176.1-71.3-169.2178.3-171.50111.1R241 Y242R241-K250 HydrophobicContact CB-CB 4.06Å; Y242-K250 CarbonylContact O-C 3.58Å; Y242-K250 VanDerWaalsContact O-CA 3.28Å; Y242-K250 WeakPolarHBondContact O-CA 3.33Å
251R95.8Very high94.8Very high69 Ų6957.4 Ų57.426%0.2631%0.305SS..EExtended strand (participates in β ladder)trans-134.7152.1-177.6-68.7-64-165.8-156.3-5.9111.2R241 Y242 C244 C247 C249R241-R251 WeakPolarHBondContact CB-O 3.47Å; R241-R251 WeakPolarHBondContact CG-O 3.4Å; Y242-R251 WeakPolarHBondContact CD1-O 3.43Å; Y242-R251 PolarHBondContact N-O 2.93Å; Y242-R251 PolarHBondContact O-N 3.01Å; C244-R251 HydrophobicContact CB-CB 4.2Å; C244-R251 HydrophobicContact CB-CG 3.99Å; C247-R251 HydrophobicContact CB-CG 3.81Å; C247-R251 PolarHBondContact SG-NE 2.93Å; C249-R251 PolarHBondContact O-N 2.78Å
252D97.1Very high94.8Very high67 Ų6753.7 Ų53.736%0.35829%0.294SS..  trans-65140.1165.3-59.5-37.5000109.3L199 L236 V237 R241L199-D252 HydrophobicContact CD1-CB 4.18Å; L199-D252 PolarHBondContact N-O 2.76Å; L236-D252 VanDerWaalsContact O-CA 3.27Å; L236-D252 WeakPolarHBondContact O-CA 3.15Å; V237-D252 WeakPolarHBondContact CA-OD1 3.26Å; V237-D252 HydrophobicContact CG1-CB 4.16Å; R241-D252 WeakPolarHBondContact CD-OD1 3.27Å; R241-D252 WeakPolarHBondContact CG-OD1 3.22Å
253G96.2Very high94.9Very high0 Ų052.5 Ų52.50%029%0.29CS..EExtended strand (participates in β ladder)trans-152.5173-175.300000113.3S197 L236S197-G253 CarbonylContact O-C 3.58Å; S197-G253 WeakPolarHBondContact O-CA 3.41Å; L236-G253 PolarHBondContact N-O 3.34Å; L236-G253 PolarHBondContact O-N 3.32Å
254I96.3Very high94.8Very high30 Ų3050 Ų5015%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-117.9130.6171.7-71.9169.9000107.6N196 S197 L199 E233 R256N196-I254 CarbonylContact C-O 3.48Å; N196-I254 WeakPolarHBondContact CA-O 3.34Å; S197-I254 PolarHBondContact N-O 3.07Å; S197-I254 PolarHBondContact O-N 3.05Å; L199-I254 HydrophobicContact CD2-CD1 3.65Å; L199-I254 HydrophobicContact CD2-CG1 3.96Å; L199-I254 HydrophobicContact CG-CG1 4.43Å; E233-I254 HydrophobicContact CG-CG2 3.3Å; E233-I254 WeakPolarHBondContact OE1-CD1 3.37Å; E233-I254 WeakPolarHBondContact OE1-CG2 3.41Å; I254-R256 HydrophobicContact CG2-CG 3.97Å
255R95.5Very high94.8Very high85 Ų8550.1 Ų50.132%0.32127%0.268SS..EExtended strand (participates in β ladder)trans-104.9131.5170.1179176.2-67.6170.2-0.6110.4Y194 E195 N196 E233 E234 L236Y194-R255 HydrophobicContact CD1-CG 4.47Å; E195-R255 CarbonylContact O-C 3.56Å; E195-R255 WeakPolarHBondContact O-CA 3.44Å; N196-R255 WeakPolarHBondContact OD1-CB 3.46Å; N196-R255 WeakPolarHBondContact OD1-CG 3.35Å; N196-R255 PolarHBondContact OD1-NE 3.32Å; E233-R255 WeakPolarHBondContact CA-O 3.37Å; E234-R255 HydrophobicContact CB-CB 4.31Å; E234-R255 PolarHBondContact N-O 2.88Å; E234-R255 PolarHBondContact O-N 3.47Å; L236-R255 HydrophobicContact CD1-CB 4.03Å; L236-R255 HydrophobicContact CD2-CB 4.43Å; L236-R255 HydrophobicContact CG-CB 4.15Å
256R91.7Very high94.9Very high79 Ų7946 Ų4630%0.29824%0.239SC..EExtended strand (participates in β ladder)trans-130.7150.4174.9-69.7178.3-77.3-174.6-3.1110Y194 E195 E233 I254 Y258Y194-R256 WeakPolarHBondContact CA-O 3Å; E195-R256 PolarHBondContact N-O 2.83Å; E195-R256 PolarHBondContact O-N 2.81Å; E233-R256 HydrophobicContact CB-CG 4.12Å; E233-R256 HydrophobicContact CG-CG 3.79Å; E233-R256 WeakPolarHBondContact OE2-CD 3.27Å; I254-R256 HydrophobicContact CG2-CG 3.97Å; R256-Y258 HydrophobicContact CB-CE2 3.86Å; R256-Y258 WeakPolarHBondContact CD-OH 3.33Å
257A93.6Very high95.1Very high9 Ų939.6 Ų39.67%0.07421%0.209CC..EExtended strand (participates in β ladder)trans-130.7135.9176.800000110.2I193 Y194 L231I193-A257 VanDerWaalsContact O-CA 3.3Å; I193-A257 WeakPolarHBondContact O-CA 3.48Å; Y194-A257 HydrophobicContact CD1-CB 3.79Å; Y194-A257 HydrophobicContact CE1-CB 3.76Å; L231-A257 HydrophobicContact CD2-CB 3.76Å
258Y94Very high95.2Very high42 Ų4238 Ų3817%0.16520%0.198CC..EExtended strand (participates in β ladder)trans-133.3138.7177.7-53.8-81000109.9Y192 I193 E195 R256 T260 V300Y192-Y258 CarbonylContact C-O 2.99Å; Y192-Y258 WeakPolarHBondContact CA-O 3.46Å; Y192-Y258 WeakPolarHBondContact CB-O 3.43Å; I193-Y258 HydrophobicContact CG2-CD2 4.25Å; I193-Y258 PolarHBondContact N-O 3.02Å; I193-Y258 PolarHBondContact O-N 3.45Å; I193-Y258 VanDerWaalsContact O-N 3.16Å; E195-Y258 HydrophobicContact CG-CD2 4.43Å; E195-Y258 HydrophobicContact CG-CE2 4.31Å; R256-Y258 HydrophobicContact CB-CE2 3.86Å; R256-Y258 WeakPolarHBondContact CD-OH 3.33Å; Y258-T260 PolarHBondContact O-N 2.79Å; Y258-V300 HydrophobicContact CD1-CB 4.41Å; Y258-V300 HydrophobicContact CD1-CG2 3.81Å; Y258-V300 HydrophobicContact CE1-CB 4.16Å; Y258-V300 HydrophobicContact CE1-CG1 4.16Å; Y258-V300 HydrophobicContact CE1-CG2 3.84Å
259I95.6Very high95.4Very high1 Ų135.6 Ų35.61%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-75.2119.4171-63.5174.6000107.6E191 L214 L231 A262 L297 C318 L319 S320E191-I259 CarbonylContact O-C 3.51Å; E191-I259 WeakPolarHBondContact O-CA 3.44Å; L214-I259 HydrophobicContact CD1-CD1 4.29Å; L231-I259 HydrophobicContact CD1-CD1 4.15Å; L231-I259 HydrophobicContact CD1-CG1 4.17Å; I259-A262 HydrophobicContact CG2-CB 4.07Å; I259-L297 HydrophobicContact CD1-CD1 4.28Å; I259-C318 PolarHBondContact N-O 2.82Å; I259-L319 HydrophobicContact CB-CD2 4.03Å; I259-L319 HydrophobicContact CG2-CD2 3.87Å; I259-L319 CarbonylContact O-C 3.56Å; I259-L319 VanDerWaalsContact O-CA 3.26Å; I259-L319 WeakPolarHBondContact O-CA 3.45Å; I259-S320 PolarHBondContact O-N 3.07Å
260T94.4Very high95.5Very high42 Ų4233.1 Ų33.126%0.25815%0.151SC..EExtended strand (participates in β ladder)trans-95.4-28.9179.452.50000112E191 I193 Y258E191-T260 WeakPolarHBondContact CB-OG1 3.47Å; E191-T260 PolarHBondContact O-N 3.4Å; E191-T260 PolarHBondContact O-OG1 3.06Å; I193-T260 HydrophobicContact CB-CG2 3.98Å; I193-T260 HydrophobicContact CG2-CG2 3.83Å; Y258-T260 PolarHBondContact O-N 2.79Å
261R94.4Very high95.3Very high68 Ų6829 Ų2926%0.25714%0.135SC..EExtended strand (participates in β ladder)trans-136.1111.5173.3-177.7164.968.2123-11.8109.2D185 G190 E191D185-R261 PolarHBondContact O-NH1 2.89Å; D185-R261 IonicContact OD2-CZ 2.74Å; D185-R261 IonicContact OD2-NH1 2.89Å; D185-R261 PolarHBondContact OD2-NH1 3.2Å; D185-R261 IonicContact OD2-NH2 2.82Å; D185-R261 PolarHBondContact OD2-NH2 2.91Å; G190-R261 CarbonylContact C-O 3.57Å; G190-R261 VanDerWaalsContact CA-O 3.24Å; G190-R261 WeakPolarHBondContact CA-O 3.12Å; E191-R261 HydrophobicContact CB-CB 3.85Å; E191-R261 HydrophobicContact CG-CB 4.01Å; E191-R261 PolarHBondContact N-O 3.5Å; E191-R261 PolarHBondContact O-N 2.88Å; E191-R261 VanDerWaalsContact O-N 3.12Å; E191-R261 IonicContact OE1-CZ 3.42Å; E191-R261 IonicContact OE1-NE 3.54Å; E191-R261 PolarHBondContact OE1-NE 2.71Å; E191-R261 IonicContact OE1-NH2 3.98Å; E191-R261 PolarHBondContact OE1-NH2 2.8Å
262A94.7Very high95.1Very high17 Ų1725.8 Ų25.814%0.1412%0.123CC..  trans-87.2122.117500000109.4I259 L297 L319 R328 Y330I259-A262 HydrophobicContact CG2-CB 4.07Å; A262-L297 HydrophobicContact CB-CD1 4.37Å; A262-L319 HydrophobicContact CB-CD2 4Å; A262-R328 HydrophobicContact CB-CB 4.31Å; A262-R328 HydrophobicContact CB-CG 4.28Å; A262-Y330 VanDerWaalsContact CB-OH 3.23Å; A262-Y330 WeakPolarHBondContact CB-OH 3.32Å
263P94.8Very high94.6Very high2 Ų223.7 Ų23.71%0.01311%0.111CC..  trans-72.6149.7-173.328.7-33.7000111.8I188 F211 L265 L266 Y330I188-P263 VanDerWaalsContact O-CB 3.26Å; I188-P263 WeakPolarHBondContact O-CB 3.28Å; F211-P263 HydrophobicContact CE2-CG 4.38Å; P263-L265 PolarHBondContact O-N 2.92Å; P263-L266 HydrophobicContact CG-CB 4.47Å; P263-L266 HydrophobicContact CG-CD1 4.25Å; P263-Y330 VanDerWaalsContact O-CE1 3.22Å; P263-Y330 WeakPolarHBondContact O-CE1 3.33Å; P263-Y330 PolarHBondContact O-OH 3.02Å
264P93.9Very high94Very high24 Ų2426.2 Ų26.216%0.15613%0.126CC..SBendtrans-56.3-34.1174.3-24.833000114.7N186 L187 S491 N494N186-P264 WeakPolarHBondContact O-CD 3.16Å; N186-P264 VanDerWaalsContact O-CG 3.27Å; N186-P264 WeakPolarHBondContact O-CG 3.22Å; L187-P264 HydrophobicContact CD1-CB 4.4Å; L187-P264 WeakPolarHBondContact O-CD 3.36Å; P264-S491 WeakPolarHBondContact O-CB 3.35Å; P264-S491 PolarHBondContact O-N 3.01Å; P264-N494 VanDerWaalsContact CB-ND2 3.31Å; P264-N494 WeakPolarHBondContact CB-ND2 3.24Å
265L95.1Very high93.3Very high3 Ų329.5 Ų29.52%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-111.1106.4168.5-176.376.2000109.8F104 L187 I188 P263 Y489 E490F104-L265 HydrophobicContact CD1-CD1 3.82Å; F104-L265 HydrophobicContact CD1-CD2 3.88Å; F104-L265 HydrophobicContact CD2-CD2 3.54Å; F104-L265 HydrophobicContact CE1-CD1 3.45Å; F104-L265 VanDerWaalsContact CE1-CD1 3.45Å; F104-L265 HydrophobicContact CE1-CD2 3.7Å; F104-L265 HydrophobicContact CE1-CG 4.23Å; F104-L265 HydrophobicContact CE2-CD2 3.33Å; F104-L265 HydrophobicContact CG-CD2 3.84Å; F104-L265 HydrophobicContact CZ-CD1 3.9Å; F104-L265 HydrophobicContact CZ-CD2 3.44Å; F104-L265 VanDerWaalsContact CZ-CD2 3.44Å; F104-L265 HydrophobicContact CZ-CG 4.27Å; L187-L265 HydrophobicContact CD1-CB 4.27Å; L187-L265 HydrophobicContact CG-CB 4.26Å; L187-L265 WeakPolarHBondContact O-CB 2.74Å; L187-L265 PolarHBondContact O-N 3.05Å; I188-L265 HydrophobicContact CD1-CD2 4.18Å; I188-L265 HydrophobicContact CG1-CD2 4.04Å; P263-L265 PolarHBondContact O-N 2.92Å; L265-Y489 CarbonylContact C-O 3.41Å; L265-Y489 WeakPolarHBondContact CA-O 3.42Å; L265-E490 HydrophobicContact CD1-CB 4.44Å
266L96.8Very high92.6Very high2 Ų227.3 Ų27.31%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-86.1113.7176.2178.164.7000110.5F211 L214 P263 I268 L295 L297 Y330 Y489F211-L266 HydrophobicContact CE2-CD1 4.22Å; L214-L266 HydrophobicContact CD1-CD1 3.97Å; L214-L266 HydrophobicContact CG-CD1 4.27Å; P263-L266 HydrophobicContact CG-CB 4.47Å; P263-L266 HydrophobicContact CG-CD1 4.25Å; L266-I268 HydrophobicContact CD2-CD1 4.04Å; L266-I268 HydrophobicContact CD2-CG1 4.43Å; L266-I268 HydrophobicContact CG-CD1 4.21Å; L266-I268 HydrophobicContact CG-CG1 4.06Å; L266-L295 HydrophobicContact CD2-CD2 4.04Å; L266-L297 HydrophobicContact CD2-CD1 4.29Å; L266-Y330 HydrophobicContact CB-CD1 4.05Å; L266-Y330 HydrophobicContact CB-CE1 3.66Å; L266-Y330 HydrophobicContact CD2-CD2 4.43Å; L266-Y330 HydrophobicContact CD2-CE2 4.28Å; L266-Y489 PolarHBondContact N-O 3.22Å; L266-Y489 PolarHBondContact O-N 2.88Å
267C97.6Very high92.2Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-98.6132.8174.7-56.40000110.3L212 E213 L214 F488L212-C267 WeakPolarHBondContact O-CB 3.37Å; E213-C267 CarbonylContact C-O 3.38Å; E213-C267 VanDerWaalsContact CA-O 3.24Å; E213-C267 WeakPolarHBondContact CA-O 3.09Å; E213-C267 HydrophobicContact CB-CB 4.04Å; L214-C267 PolarHBondContact N-O 2.92Å; C267-F488 HydrophobicContact CB-CD1 4.19Å; C267-F488 HydrophobicContact CB-CE1 4.11Å; C267-F488 WeakPolarHBondContact SG-CD1 3.2Å; C267-F488 VanDerWaalsContact SG-CE1 3.59Å
268I98Very high91.8Very high0 Ų033.6 Ų33.60%018%0.176CC..EExtended strand (participates in β ladder)trans-129.7121.3-177.9-59.7175.7000109L214 L216 L223 I227 L266 L270 M486 V487 Y489L214-I268 HydrophobicContact CB-CG1 4.47Å; L214-I268 WeakPolarHBondContact O-CA 3.43Å; L216-I268 HydrophobicContact CD1-CG2 3.48Å; L216-I268 VanDerWaalsContact CD1-CG2 3.48Å; L216-I268 HydrophobicContact CG-CG2 3.88Å; L223-I268 HydrophobicContact CD1-CD1 4.04Å; L223-I268 HydrophobicContact CD1-CG2 4.07Å; L223-I268 HydrophobicContact CD2-CD1 3.89Å; L223-I268 HydrophobicContact CG-CD1 4.41Å; I227-I268 HydrophobicContact CD1-CD1 4.39Å; L266-I268 HydrophobicContact CD2-CD1 4.04Å; L266-I268 HydrophobicContact CD2-CG1 4.43Å; L266-I268 HydrophobicContact CG-CD1 4.21Å; L266-I268 HydrophobicContact CG-CG1 4.06Å; I268-L270 HydrophobicContact CG2-CD2 4.28Å; I268-M486 CarbonylContact O-C 3.48Å; I268-M486 WeakPolarHBondContact O-CA 3.16Å; I268-V487 HydrophobicContact CB-CB 4.38Å; I268-V487 PolarHBondContact N-O 3.04Å; I268-V487 PolarHBondContact O-N 3.01Å; I268-Y489 HydrophobicContact CD1-CD2 4.24Å
269Q96.3Very high91.4Very high21 Ų2135.1 Ų35.110%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-92.7130.1170.1-179.7-161.520.100109.1P162 E213 L214 S215 L216 L271P162-Q269 HydrophobicContact CB-CG 3.91Å; P162-Q269 HydrophobicContact CG-CG 3.7Å; E213-Q269 PolarHBondContact OE1-OE1 3.39Å; L214-Q269 PolarHBondContact O-N 3Å; S215-Q269 VanDerWaalsContact CB-OE1 3.3Å; S215-Q269 PolarHBondContact OG-OE1 2.94Å; L216-Q269 PolarHBondContact N-O 3.27Å; Q269-L271 HydrophobicContact CG-CD2 4.47Å
270L96.2Very high90.8Very high0 Ų036.3 Ų36.30%020%0.202CC..EExtended strand (participates in β ladder)trans-95.9110.2172.8-62.8176.9000109.4V218 L223 I268 R272 I289 A484 Y485 V487V218-L270 HydrophobicContact CG2-CB 4.15Å; V218-L270 HydrophobicContact CG2-CD2 4.5Å; L223-L270 HydrophobicContact CD1-CD2 4.39Å; I268-L270 HydrophobicContact CG2-CD2 4.28Å; L270-R272 HydrophobicContact CB-CG 4.27Å; L270-R272 PolarHBondContact O-N 3.33Å; L270-I289 HydrophobicContact CD1-CD1 4.18Å; L270-I289 HydrophobicContact CD1-CG2 3.87Å; L270-I289 HydrophobicContact CD2-CD1 3.85Å; L270-A484 HydrophobicContact CD1-CB 4.15Å; L270-A484 WeakPolarHBondContact CD1-O 3.49Å; L270-Y485 PolarHBondContact N-O 2.77Å; L270-V487 HydrophobicContact CD1-CG2 4.09Å; L270-V487 HydrophobicContact CG-CG2 4.49Å
271L93.8Very high90.2Very high49 Ų4940.6 Ų40.626%0.25722%0.219SC..EExtended strand (participates in β ladder)trans-69.379.3178.6-61.6176.2000110.4L216 Q269L216-L271 WeakPolarHBondContact O-CB 3.32Å; L216-L271 PolarHBondContact O-N 3.22Å; Q269-L271 HydrophobicContact CG-CD2 4.47Å
272R90.4Very high89.5Confident0 Ų041.3 Ų41.30%022%0.222CC..  trans-91.8-20.6-178.3-72.4-173.5178.5-83.91113.5V218 L270 K284 Y285 A287 I289 S481 A484V218-R272 HydrophobicContact CG2-CG 3.98Å; L270-R272 HydrophobicContact CB-CG 4.27Å; L270-R272 PolarHBondContact O-N 3.33Å; R272-K284 HydrophobicContact CB-CG 4.45Å; R272-K284 CarbonylContact O-C 3.43Å; R272-K284 WeakPolarHBondContact O-CA 3.34Å; R272-Y285 PolarHBondContact NH1-O 2.83Å; R272-Y285 VanDerWaalsContact NH1-O 3.13Å; R272-Y285 WeakPolarHBondContact O-CB 3.27Å; R272-Y285 PolarHBondContact O-N 2.79Å; R272-A287 PolarHBondContact NH1-O 2.78Å; R272-I289 VanDerWaalsContact NH2-CG2 3.31Å; R272-S481 PolarHBondContact NH2-O 3.16Å; R272-A484 WeakPolarHBondContact CD-O 3.46Å; R272-A484 PolarHBondContact NE-O 3.33Å
273F88Confident89Confident23 Ų2346.4 Ų46.410%0.10124%0.241CC..EExtended strand (participates in β ladder)trans-90.4129.9176.5-60.2-74.6000107.8K283 K284 H338 P343 Y485F273-K283 WeakPolarHBondContact CA-O 3.4Å; F273-K284 HydrophobicContact CD1-CB 3.9Å; F273-K284 HydrophobicContact CD1-CG 4.17Å; F273-K284 HydrophobicContact CE1-CB 3.73Å; F273-K284 HydrophobicContact CE1-CD 4.1Å; F273-K284 HydrophobicContact CE1-CG 3.78Å; F273-K284 HydrophobicContact CZ-CD 4.41Å; F273-K284 HydrophobicContact CZ-CG 4.36Å; F273-H338 AromaticContact CZ-CE1 3.65Å; F273-H338 AromaticContact CZ-ND1 3.6Å; F273-P343 HydrophobicContact CD1-CB 3.79Å; F273-P343 HydrophobicContact CE1-CB 4.14Å; F273-Y485 AromaticContact CD2-CE2 3.77Å; F273-Y485 HydrophobicContact CD2-CE2 3.77Å; F273-Y485 HydrophobicContact CE2-CD2 4.17Å; F273-Y485 AromaticContact CE2-CE2 3.5Å; F273-Y485 HydrophobicContact CE2-CE2 3.5Å; F273-Y485 AromaticContact CE2-CZ 3.77Å
274T82.5Confident88.7Confident53 Ų5346.7 Ų46.733%0.32524%0.242SC..EExtended strand (participates in β ladder)trans-133.8149.7178.458.90000109K283T274-K283 PolarHBondContact N-O 2.98Å; T274-K283 PolarHBondContact O-N 3.2Å
275Y82.6Confident88.3Confident99 Ų9950.9 Ų50.939%0.38826%0.255SS..EExtended strand (participates in β ladder)trans-82.5119.8173-174.3-105.8000110.9S277 H1308Y275-S277 PolarHBondContact O-N 3.2Å; Y275-H1308 PolarHBondContact O-CE1 3.29Å
276D79.5Confident87.9Confident39 Ų3956.1 Ų56.121%0.20928%0.278CS..EExtended strand (participates in β ladder)trans-91.899.4174-174.7-20.5000109.4N278 T279 G280 Q281D276-N278 PolarHBondContact O-N 3.47Å; D276-N278 VanDerWaalsContact O-N 3.12Å; D276-N278 WeakPolarHBondContact OD1-CB 3.3Å; D276-N278 PolarHBondContact OD1-N 2.64Å; D276-T279 WeakPolarHBondContact CB-OG1 3.17Å; D276-T279 PolarHBondContact O-N 3.18Å; D276-T279 PolarHBondContact O-OG1 3.27Å; D276-G280 PolarHBondContact O-N 3.24Å; D276-Q281 PolarHBondContact N-O 2.89Å
277S83.6Confident87.6Confident72 Ų7257.7 Ų57.750%0.50329%0.291SS..THydrogen-bonded Turntrans-59.6-22.4-177.658.70000114.2Y275Y275-S277 PolarHBondContact O-N 3.2Å
278N85.7Confident87.4Confident148 Ų14860.1 Ų60.179%0.79131%0.308SS*.THydrogen-bonded Turntrans-79.8-26.6179.2-58-50.7000112.2D276D276-N278 PolarHBondContact O-N 3.47Å; D276-N278 VanDerWaalsContact O-N 3.12Å; D276-N278 WeakPolarHBondContact OD1-CB 3.3Å; D276-N278 PolarHBondContact OD1-N 2.64Å
279T85.2Confident87.2Confident75 Ų7560.1 Ų60.146%0.4631%0.308SS..THydrogen-bonded Turntrans-105.4-10.9-177.864.70000113.3D276 Q281D276-T279 WeakPolarHBondContact CB-OG1 3.17Å; D276-T279 PolarHBondContact O-N 3.18Å; D276-T279 PolarHBondContact O-OG1 3.27Å; T279-Q281 PolarHBondContact O-N 2.8Å; T279-Q281 PolarHBondContact OG1-N 3.25Å
280G84Confident87.2Confident25 Ų2562.7 Ų62.726%0.25832%0.317SS..THydrogen-bonded Turntrans67.48.1-172.300000113.8D276D276-G280 PolarHBondContact O-N 3.24Å
281Q80Confident87.3Confident132 Ų13262.7 Ų62.762%0.61732%0.317SS*.EExtended strand (participates in β ladder)trans-115.8150.4-171.5-67.5-179.89.500112.3D276 T279D276-Q281 PolarHBondContact N-O 2.89Å; T279-Q281 PolarHBondContact O-N 2.8Å; T279-Q281 PolarHBondContact OG1-N 3.25Å
282R80.3Confident87.4Confident84 Ų8460.3 Ų60.332%0.31731%0.305SS..EExtended strand (participates in β ladder)trans-75.3136.5168.2-68.3178.4-171.4-1761109.4P343 S1311 G1312R282-P343 HydrophobicContact CB-CB 3.52Å; R282-P343 HydrophobicContact CB-CG 3.49Å; R282-P343 VanDerWaalsContact CB-CG 3.49Å; R282-S1311 VanDerWaalsContact CZ-O 3.31Å; R282-S1311 PolarHBondContact NH2-O 2.76Å; R282-S1311 PolarHBondContact NH2-OG 3.44Å; R282-G1312 PolarHBondContact NH1-O 3.25Å; R282-G1312 PolarHBondContact NH2-O 3.22Å
283K84.9Confident87.6Confident123 Ų12361.2 Ų61.254%0.53531%0.31SS..EExtended strand (participates in β ladder)trans-128.8136.1-177.9-176.4178.2179.7178.70110.8F273 T274F273-K283 WeakPolarHBondContact CA-O 3.4Å; T274-K283 PolarHBondContact N-O 2.98Å; T274-K283 PolarHBondContact O-N 3.2Å
284K88.2Confident87.9Confident8 Ų863.9 Ų63.94%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-82.3123.9170.2-169.8-174.8-178.3-170.60110.8R272 F273 K286 H338 G340 N483R272-K284 HydrophobicContact CB-CG 4.45Å; R272-K284 CarbonylContact O-C 3.43Å; R272-K284 WeakPolarHBondContact O-CA 3.34Å; F273-K284 HydrophobicContact CD1-CB 3.9Å; F273-K284 HydrophobicContact CD1-CG 4.17Å; F273-K284 HydrophobicContact CE1-CB 3.73Å; F273-K284 HydrophobicContact CE1-CD 4.1Å; F273-K284 HydrophobicContact CE1-CG 3.78Å; F273-K284 HydrophobicContact CZ-CD 4.41Å; F273-K284 HydrophobicContact CZ-CG 4.36Å; K284-K286 WeakPolarHBondContact O-CG 3.46Å; K284-K286 PolarHBondContact O-N 3.17Å; K284-H338 PolarHBondContact NZ-O 2.89Å; K284-G340 VanDerWaalsContact CD-O 3.29Å; K284-G340 WeakPolarHBondContact CD-O 3.3Å; K284-G340 PolarHBondContact NZ-O 3.38Å; K284-N483 PolarHBondContact NZ-OD1 3.38Å; K284-N483 VanDerWaalsContact NZ-OD1 3.12Å
285Y85.7Confident88.6Confident112 Ų11261.4 Ų61.444%0.43931%0.309SS..  trans-76.5111.9171.1-169.1-115.6000110.6V218 R272 A287V218-Y285 HydrophobicContact CB-CD1 3.84Å; V218-Y285 HydrophobicContact CB-CE1 3.91Å; V218-Y285 HydrophobicContact CG1-CD1 4.06Å; V218-Y285 HydrophobicContact CG1-CE1 3.81Å; V218-Y285 HydrophobicContact CG2-CD1 4.49Å; R272-Y285 PolarHBondContact NH1-O 2.83Å; R272-Y285 VanDerWaalsContact NH1-O 3.13Å; R272-Y285 WeakPolarHBondContact O-CB 3.27Å; R272-Y285 PolarHBondContact O-N 2.79Å; Y285-A287 HydrophobicContact CD1-CB 3.99Å; Y285-A287 HydrophobicContact CE1-CB 3.31Å; Y285-A287 HydrophobicContact CE2-CB 4.25Å; Y285-A287 VanDerWaalsContact CZ-CB 3.45Å
286K86.5Confident89.2Confident113 Ų11360.1 Ų60.149%0.49131%0.306SS..  trans-976.1-169.8-53.8-172.6-172.7-174.80114.1K284 S288 N341 T482K284-K286 WeakPolarHBondContact O-CG 3.46Å; K284-K286 PolarHBondContact O-N 3.17Å; K286-S288 PolarHBondContact O-N 3.24Å; K286-N341 WeakPolarHBondContact CE-OD1 3.15Å; K286-N341 PolarHBondContact NZ-OD1 2.87Å; K286-T482 WeakPolarHBondContact O-CG2 3.23Å
287A89.8Confident90Very high35 Ų3558.3 Ų58.329%0.28930%0.297SS..  trans-61.7137.9179.700000110.2R272 Y285R272-A287 PolarHBondContact NH1-O 2.78Å; Y285-A287 HydrophobicContact CD1-CB 3.99Å; Y285-A287 HydrophobicContact CE1-CB 3.31Å; Y285-A287 HydrophobicContact CE2-CB 4.25Å; Y285-A287 VanDerWaalsContact CZ-CB 3.45Å
288S93.1Very high90.4Very high51 Ų5155.6 Ų55.636%0.35728%0.278SS..  trans-70.4135.9175.7-1660000109.7K286 S481K286-S288 PolarHBondContact O-N 3.24Å; S288-S481 WeakPolarHBondContact CA-O 3.5Å
289I95.5Very high90.7Very high0 Ų052.8 Ų52.80%026%0.256CS..EExtended strand (participates in β ladder)trans-111.1139.1171.1-165.7173.4000108.9V218 K221 L223 L270 R272 L291 S480 S481V218-I289 HydrophobicContact CG1-CD1 4.41Å; K221-I289 CarbonylContact O-C 3.58Å; L223-I289 HydrophobicContact CB-CD1 4.32Å; L270-I289 HydrophobicContact CD1-CD1 4.18Å; L270-I289 HydrophobicContact CD1-CG2 3.87Å; L270-I289 HydrophobicContact CD2-CD1 3.85Å; R272-I289 VanDerWaalsContact NH2-CG2 3.31Å; I289-L291 HydrophobicContact CD1-CD2 4.48Å; I289-L291 HydrophobicContact CG1-CD2 4.44Å; I289-L291 HydrophobicContact CG2-CD2 3.89Å; I289-L291 HydrophobicContact CG2-CG 4.45Å; I289-S480 VanDerWaalsContact O-CA 3.29Å; I289-S480 WeakPolarHBondContact O-CA 3.48Å; I289-S481 PolarHBondContact N-O 3.32Å; I289-S481 PolarHBondContact O-N 3.38Å
290R96.5Very high90.7Very high75 Ų7551 Ų5128%0.28325%0.245SC..EExtended strand (participates in β ladder)trans-91125.6171.3-66.5177.464.9-150.80.8109.3K221 S222 L223 E313 W478 H479K221-R290 WeakPolarHBondContact O-CB 3.37Å; K221-R290 PolarHBondContact O-N 2.88Å; S222-R290 WeakPolarHBondContact CA-O 3.37Å; L223-R290 PolarHBondContact N-O 3.23Å; R290-E313 IonicContact CZ-OE1 3.95Å; R290-E313 IonicContact NH1-OE1 3.49Å; R290-E313 PolarHBondContact NH1-OE1 3.19Å; R290-E313 IonicContact NH2-OE1 2.71Å; R290-W478 HydrophobicContact CB-CD2 4.49Å; R290-W478 HydrophobicContact CB-CE3 3.61Å; R290-W478 HydrophobicContact CB-CZ3 3.98Å; R290-W478 VanDerWaalsContact NH2-NE1 3.2Å; R290-H479 CarbonylContact C-O 3.46Å; R290-H479 VanDerWaalsContact CA-O 3.31Å; R290-H479 WeakPolarHBondContact CA-O 3.34Å
291L97.4Very high90.5Very high0 Ų053.9 Ų53.90%026%0.257CS..EExtended strand (participates in β ladder)trans-107.9118.7178.3-50.3178.3000107.5L223 I289 L332 V335 L401 W478 H479 A484 V487L223-L291 HydrophobicContact CB-CD2 3.98Å; L223-L291 HydrophobicContact CD2-CD2 4.18Å; I289-L291 HydrophobicContact CD1-CD2 4.48Å; I289-L291 HydrophobicContact CG1-CD2 4.44Å; I289-L291 HydrophobicContact CG2-CD2 3.89Å; I289-L291 HydrophobicContact CG2-CG 4.45Å; L291-L332 HydrophobicContact CB-CD2 4.43Å; L291-V335 HydrophobicContact CD1-CG2 4.11Å; L291-L401 HydrophobicContact CD1-CD2 3.97Å; L291-W478 WeakPolarHBondContact O-CA 3.34Å; L291-H479 HydrophobicContact CB-CB 4.37Å; L291-H479 PolarHBondContact N-O 3.5Å; L291-H479 PolarHBondContact O-N 3.37Å; L291-A484 HydrophobicContact CD1-CB 4.44Å; L291-V487 HydrophobicContact CD1-CG1 4.05Å; L291-V487 HydrophobicContact CD1-CG2 3.95Å; L291-V487 HydrophobicContact CD2-CG1 4.47Å; L291-V487 HydrophobicContact CD2-CG2 4.06Å
292P96.5Very high89.7Confident0 Ų055.6 Ų55.60%027%0.265CS..EExtended strand (participates in β ladder)trans-69.5141.9176.730.1-34.7000110.1P224 L294 L295 H314 W478 Y489P224-P292 HydrophobicContact CG-CG 3.88Å; P292-L294 VanDerWaalsContact C-N 3.29Å; P292-L294 WeakPolarHBondContact CB-O 3.42Å; P292-L294 PolarHBondContact O-N 3.43Å; P292-L295 HydrophobicContact CG-CB 4.16Å; P292-L295 HydrophobicContact CG-CD1 4.24Å; P292-H314 HydrophobicContact CB-CB 4.24Å; P292-H314 VanDerWaalsContact CB-CD2 3.43Å; P292-H314 WeakPolarHBondContact CB-CD2 3.38Å; P292-W478 HydrophobicContact CB-CD2 4.3Å; P292-W478 HydrophobicContact CB-CE3 3.93Å; P292-W478 HydrophobicContact CB-CH2 3.92Å; P292-W478 HydrophobicContact CB-CZ2 4.24Å; P292-W478 HydrophobicContact CB-CZ3 3.77Å; P292-W478 HydrophobicContact CG-CH2 4.34Å; P292-W478 HydrophobicContact CG-CZ3 4.07Å; P292-Y489 WeakPolarHBondContact CD-OH 3.46Å; P292-Y489 WeakPolarHBondContact O-CE1 3.44Å; P292-Y489 PolarHBondContact O-OH 3.49Å
293D94.3Very high88.7Confident19 Ų1957 Ų5710%0.10228%0.279CS..SBendtrans-65.8-37.7176.7-160.558.5000111.6R331 L332 R353 L477 H479D293-R331 CarbonylContact O-C 3.55Å; D293-R331 WeakPolarHBondContact O-CA 3.22Å; D293-L332 PolarHBondContact O-N 3.42Å; D293-R353 IonicContact OD1-CZ 3.8Å; D293-R353 IonicContact OD1-NH2 3.52Å; D293-R353 PolarHBondContact OD1-NH2 3.28Å; D293-R353 IonicContact OD2-CZ 3.22Å; D293-R353 IonicContact OD2-NH2 2.71Å; D293-R353 PolarHBondContact OD2-NH2 3.21Å; D293-L477 WeakPolarHBondContact CB-O 3.49Å; D293-L477 PolarHBondContact N-O 2.9Å; D293-H479 IonicContact OD1-CD2 2.83Å; D293-H479 IonicContact OD1-CE1 3.13Å; D293-H479 IonicContact OD1-NE2 2.82Å; D293-H479 PolarHBondContact OD1-NE2 2.81Å
294L94.9Very high87.2Confident79 Ų7956.9 Ų56.941%0.41429%0.29SS..EExtended strand (participates in β ladder)trans-114.7121.2171.2-67.4170.1000109P292 H314 Y330 R331 V492P292-L294 VanDerWaalsContact C-N 3.29Å; P292-L294 WeakPolarHBondContact CB-O 3.42Å; P292-L294 PolarHBondContact O-N 3.43Å; L294-H314 WeakPolarHBondContact O-CB 3.44Å; L294-Y330 CarbonylContact C-O 3.46Å; L294-Y330 VanDerWaalsContact CA-O 3.25Å; L294-Y330 WeakPolarHBondContact CA-O 3.38Å; L294-R331 HydrophobicContact CD2-CB 4.07Å; L294-R331 HydrophobicContact CD2-CG 4.06Å; L294-V492 HydrophobicContact CD2-CG2 4.25Å
295L96.3Very high85.3Confident1 Ų165.6 Ų65.61%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-110.4128.8176171.967.8000108.6L223 P224 I227 L266 P292 L297 V316 Y330 Y489L223-L295 HydrophobicContact CD2-CD2 4.48Å; P224-L295 HydrophobicContact CG-CD1 4.05Å; I227-L295 HydrophobicContact CD1-CD1 4.28Å; I227-L295 HydrophobicContact CD1-CD2 4.04Å; L266-L295 HydrophobicContact CD2-CD2 4.04Å; P292-L295 HydrophobicContact CG-CB 4.16Å; P292-L295 HydrophobicContact CG-CD1 4.24Å; L295-L297 HydrophobicContact CD1-CD2 4.34Å; L295-L297 HydrophobicContact CD2-CD2 4.29Å; L295-L297 HydrophobicContact CG-CD2 4.16Å; L295-V316 HydrophobicContact CD1-CG2 4.28Å; L295-Y330 PolarHBondContact N-O 2.87Å; L295-Y330 PolarHBondContact O-N 3.21Å; L295-Y489 HydrophobicContact CB-CD1 3.98Å; L295-Y489 HydrophobicContact CB-CE1 3.72Å; L295-Y489 HydrophobicContact CD2-CD1 4.47Å; L295-Y489 HydrophobicContact CD2-CD2 4.28Å; L295-Y489 HydrophobicContact CD2-CE2 4.32Å; L295-Y489 HydrophobicContact CD2-CG 4.36Å
296E95.3Very high83.5Confident71 Ų7164.7 Ų64.733%0.33234%0.338SS..EExtended strand (participates in β ladder)trans-114.2125.5178.7-168.4176.9-159.800110.7T298 H314 S315 V316E296-T298 HydrophobicContact CG-CG2 3.91Å; E296-H314 PolarHBondContact N-O 2.74Å; E296-S315 CarbonylContact O-C 2.95Å; E296-S315 VanDerWaalsContact O-CA 3.27Å; E296-S315 WeakPolarHBondContact O-CA 3.34Å; E296-V316 PolarHBondContact O-N 3.32Å
297L95.5Very high81.5Confident1 Ų165.7 Ų65.71%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-102.4126.1170.9-52.2-171.8000108.6I259 A262 L266 L295 V316 L319 Y327 R328 Y330I259-L297 HydrophobicContact CD1-CD1 4.28Å; A262-L297 HydrophobicContact CB-CD1 4.37Å; L266-L297 HydrophobicContact CD2-CD1 4.29Å; L295-L297 HydrophobicContact CD1-CD2 4.34Å; L295-L297 HydrophobicContact CD2-CD2 4.29Å; L295-L297 HydrophobicContact CG-CD2 4.16Å; L297-V316 WeakPolarHBondContact CA-O 3.43Å; L297-V316 HydrophobicContact CD2-CB 4.16Å; L297-L319 HydrophobicContact CB-CD1 4.31Å; L297-L319 HydrophobicContact CB-CD2 4.05Å; L297-L319 HydrophobicContact CB-CG 4.09Å; L297-L319 HydrophobicContact CD1-CD2 4.49Å; L297-L319 WeakPolarHBondContact O-CD1 3.49Å; L297-Y327 CarbonylContact O-C 3.6Å; L297-Y327 WeakPolarHBondContact O-CA 3.33Å; L297-R328 PolarHBondContact N-O 2.92Å; L297-R328 PolarHBondContact O-N 3.38Å; L297-Y330 HydrophobicContact CD1-CD2 4.4Å; L297-Y330 HydrophobicContact CD1-CE2 3.69Å; L297-Y330 HydrophobicContact CG-CD2 4.19Å; L297-Y330 HydrophobicContact CG-CE2 3.88Å
298T93.6Very high79.5Confident16 Ų1674.2 Ų74.210%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-122.8159-176.256.60000111.5E296 V316 E317 C318 L319E296-T298 HydrophobicContact CG-CG2 3.91Å; T298-V316 PolarHBondContact N-O 2.85Å; T298-V316 PolarHBondContact OG1-O 2.92Å; T298-E317 WeakPolarHBondContact O-CA 3.21Å; T298-E317 WeakPolarHBondContact OG1-CA 3.4Å; T298-E317 WeakPolarHBondContact OG1-CG 3.47Å; T298-C318 PolarHBondContact O-N 2.69Å; T298-L319 WeakPolarHBondContact O-CB 3.44Å; T298-L319 PolarHBondContact O-N 3.38Å
299R91.3Very high77.2Confident89 Ų8980.4 Ų80.434%0.33640%0.403SS..EExtended strand (participates in β ladder)trans-63.2141.6173.4-80.2-178.9-169157.69112.1L319 V321 S323 C326R299-L319 WeakPolarHBondContact CA-O 3.35Å; R299-L319 HydrophobicContact CG-CB 4.2Å; R299-V321 WeakPolarHBondContact CD-O 3.46Å; R299-V321 PolarHBondContact NE-O 2.79Å; R299-S323 PolarHBondContact NE-O 3.22Å; R299-S323 PolarHBondContact NH2-O 3.12Å; R299-C326 HydrophobicContact CG-CB 4.3Å; R299-C326 WeakPolarHBondContact CG-O 3.45Å; R299-C326 VanDerWaalsContact CZ-CA 3.47Å; R299-C326 PolarHBondContact N-O 3.42Å; R299-C326 VanDerWaalsContact N-O 3.12Å; R299-C326 VanDerWaalsContact NE-CA 3.27Å
300V85.5Confident75.2Confident38 Ų3884.1 Ų84.123%0.2342%0.422CS..PPolyproline II helixtrans-72.7127.4169.7-179.10000109.6Y258 E317 L319Y258-V300 HydrophobicContact CD1-CB 4.41Å; Y258-V300 HydrophobicContact CD1-CG2 3.81Å; Y258-V300 HydrophobicContact CE1-CB 4.16Å; Y258-V300 HydrophobicContact CE1-CG1 4.16Å; Y258-V300 HydrophobicContact CE1-CG2 3.84Å; V300-E317 HydrophobicContact CG2-CB 4.37Å; V300-L319 PolarHBondContact N-O 3.46Å
301V79.3Confident73.5Confident84 Ų8488.5 Ų88.551%0.50945%0.451SS..PPolyproline II helixtrans-89.4123.7179-1750000109.7N303 L310V301-N303 PolarHBondContact O-N 3.08Å; V301-N303 VanDerWaalsContact O-N 3.13Å; V301-L310 HydrophobicContact CG2-CD1 4.49Å
302E63.7Low72.5Confident168 Ų16891.4 Ų91.479%0.78547%0.471SS*.SBendtrans-63.8-18.9-176.8-65.8-172.9162.500114.1V321E302-V321 HydrophobicContact CG-CG2 4.04Å
303N57.8Low72Confident113 Ų11395 Ų9560%0.60449%0.488SS*.  trans-133.189.7-171.5-139.8-10.2000111.8V301 K305V301-N303 PolarHBondContact O-N 3.08Å; V301-N303 VanDerWaalsContact O-N 3.13Å; N303-K305 PolarHBondContact O-N 2.82Å
304P54.2Low71.8Confident121 Ų12195.5 Ų95.579%0.78649%0.489SS*.THydrogen-bonded Turntrans-72.218.1-175.226.6-33.5000115.1
305K49.2Very low71.6Confident192 Ų19292 Ų9284%0.83547%0.471SS*.THydrogen-bonded Turntrans-91.2-2.3-172.6-75.2-171.1178.4177.30115.7N303N303-K305 PolarHBondContact O-N 2.82Å
306S47.4Very low71.5Confident92 Ų9292 Ų9264%0.64347%0.472SS*.SBendtrans-147.591.2172.1540000109
307D45Very low71.3Confident135 Ų13592.9 Ų92.972%0.72248%0.475SS*.  trans154.497.9146-76.3-21.6000110.2H309D307-H309 PolarHBondContact O-N 2.91Å
308K47.8Very low71.2Confident214 Ų21492.9 Ų92.993%0.9348%0.476SS*.THydrogen-bonded Turntrans-70.914.9173.7-78.1-177.1174.1178.60113.4
309H44.7Very low71.2Confident180 Ų18092.2 Ų92.283%0.83347%0.471SS*.THydrogen-bonded Turntrans-100.73.8-169.2-94.7-73.3000116.4D307D307-H309 PolarHBondContact O-N 2.91Å
310L53.1Low71.2Confident78 Ų7888.6 Ų88.641%0.40846%0.46SS..  trans-98.28.8-177.5-74.7164.7000116.6V301 C312 E317V301-L310 HydrophobicContact CG2-CD1 4.49Å; L310-C312 PolarHBondContact O-N 3.39Å; L310-E317 WeakPolarHBondContact CB-OE1 3.33Å; L310-E317 WeakPolarHBondContact CD1-OE1 3.21Å
311N59.9Low71.2Confident167 Ų16790 Ų9089%0.89347%0.468SS*.  trans-8243.2178.9-127.720.5000113.1E313N311-E313 PolarHBondContact O-N 3.33Å
312C76.6Confident71.4Confident61 Ų6192.5 Ų92.541%0.41248%0.479SS..  trans-72125.1174.2175.90000109.5L310 H314 S315L310-C312 PolarHBondContact O-N 3.39Å; C312-H314 PolarHBondContact O-N 3.15Å; C312-S315 WeakPolarHBondContact CB-OG 3.36Å; C312-S315 PolarHBondContact O-N 2.85Å; C312-S315 PolarHBondContact O-OG 2.98Å
313E86.6Confident72.4Confident76 Ų7684.8 Ų84.836%0.35544%0.443SS..THydrogen-bonded Turntrans-57.8-25.1-173.6-163.5-171.617600112.7P224 R290 N311 W478P224-E313 WeakPolarHBondContact CB-O 3.36Å; P224-E313 WeakPolarHBondContact CG-O 3.47Å; R290-E313 IonicContact CZ-OE1 3.95Å; R290-E313 IonicContact NH1-OE1 3.49Å; R290-E313 PolarHBondContact NH1-OE1 3.19Å; R290-E313 IonicContact NH2-OE1 2.71Å; N311-E313 PolarHBondContact O-N 3.33Å; E313-W478 HydrophobicContact CB-CZ2 3.98Å; E313-W478 VanDerWaalsContact CD-CZ2 3.44Å; E313-W478 HydrophobicContact CG-CH2 3.94Å; E313-W478 HydrophobicContact CG-CZ2 3.54Å
314H90Very high73.4Confident30 Ų3086.3 Ų86.314%0.13945%0.452CS..THydrogen-bonded Turntrans-96.9-5.4-177.5-50.476.4000114.3P292 L294 E296 C312 W478P292-H314 HydrophobicContact CB-CB 4.24Å; P292-H314 VanDerWaalsContact CB-CD2 3.43Å; P292-H314 WeakPolarHBondContact CB-CD2 3.38Å; L294-H314 WeakPolarHBondContact O-CB 3.44Å; E296-H314 PolarHBondContact N-O 2.74Å; C312-H314 PolarHBondContact O-N 3.15Å; H314-W478 AromaticContact CD2-CE2 3.6Å; H314-W478 AromaticContact CD2-CZ2 3.51Å; H314-W478 AromaticContact CD2-NE1 3.78Å; H314-W478 AromaticContact CE1-CE2 3.72Å; H314-W478 AromaticContact CE1-CZ2 3.72Å; H314-W478 AromaticContact CE1-NE1 3.32Å; H314-W478 PolarHBondContact CE1-NE1 2.77Å; H314-W478 VanDerWaalsContact CE1-NE1 3.32Å; H314-W478 AromaticContact CG-CZ2 3.81Å; H314-W478 AromaticContact ND1-CZ2 3.94Å; H314-W478 AromaticContact NE2-CD1 3.65Å; H314-W478 AromaticContact NE2-CE2 3.18Å; H314-W478 AromaticContact NE2-CZ2 3.45Å; H314-W478 WeakPolarHBondContact NE2-CZ2 3.33Å; H314-W478 AromaticContact NE2-NE1 2.88Å; H314-W478 PolarHBondContact NE2-NE1 3.48Å
315S91.5Very high74.6Confident5 Ų583.1 Ų83.14%0.03543%0.431CS..EExtended strand (participates in β ladder)trans-104.1150.5-177.372.20000112.2R228 E296 C312R228-S315 PolarHBondContact NH1-O 3.23Å; E296-S315 CarbonylContact O-C 2.95Å; E296-S315 VanDerWaalsContact O-CA 3.27Å; E296-S315 WeakPolarHBondContact O-CA 3.34Å; C312-S315 WeakPolarHBondContact CB-OG 3.36Å; C312-S315 PolarHBondContact O-N 2.85Å; C312-S315 PolarHBondContact O-OG 2.98Å
316V93.3Very high76.1Confident2 Ų276.8 Ų76.81%0.01241%0.41CS..EExtended strand (participates in β ladder)trans-137.8114.9177-173.50000110.7P224 I227 R228 L295 E296 L297 T298 C318P224-V316 HydrophobicContact CB-CG2 3.62Å; I227-V316 HydrophobicContact CB-CG1 4.25Å; I227-V316 HydrophobicContact CB-CG2 4.34Å; I227-V316 HydrophobicContact CD1-CG2 4.47Å; I227-V316 HydrophobicContact CG2-CG1 3.82Å; R228-V316 HydrophobicContact CG-CG1 3.87Å; L295-V316 HydrophobicContact CD1-CG2 4.28Å; E296-V316 PolarHBondContact O-N 3.32Å; L297-V316 WeakPolarHBondContact CA-O 3.43Å; L297-V316 HydrophobicContact CD2-CB 4.16Å; T298-V316 PolarHBondContact N-O 2.85Å; T298-V316 PolarHBondContact OG1-O 2.92Å; V316-C318 HydrophobicContact CG1-CB 3.97Å; V316-C318 PolarHBondContact O-N 2.84Å; V316-C318 VanDerWaalsContact O-N 3.11Å; V316-C318 PolarHBondContact O-SG 3.45Å
317E91.6Very high78.1Confident88 Ų8877.6 Ų77.641%0.41140%0.4SS..EExtended strand (participates in β ladder)trans-70.8100.6168.5-66.2176.2-165.800109.7T298 V300 L310T298-E317 WeakPolarHBondContact O-CA 3.21Å; T298-E317 WeakPolarHBondContact OG1-CA 3.4Å; T298-E317 WeakPolarHBondContact OG1-CG 3.47Å; V300-E317 HydrophobicContact CG2-CB 4.37Å; L310-E317 WeakPolarHBondContact CB-OE1 3.33Å; L310-E317 WeakPolarHBondContact CD1-OE1 3.21Å
318C93.1Very high80.4Confident2 Ų272.6 Ų72.61%0.01437%0.371CS..EExtended strand (participates in β ladder)trans-148.9-10.5-175.957.10000114.7L231 I259 T298 V316L231-C318 HydrophobicContact CD1-CB 3.37Å; I259-C318 PolarHBondContact N-O 2.82Å; T298-C318 PolarHBondContact O-N 2.69Å; V316-C318 HydrophobicContact CG1-CB 3.97Å; V316-C318 PolarHBondContact O-N 2.84Å; V316-C318 VanDerWaalsContact O-N 3.11Å; V316-C318 PolarHBondContact O-SG 3.45Å
319L93.4Very high82.6Confident1 Ų163.5 Ų63.51%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-76.5140.5177.3-54.7178.5000109.9I259 A262 L297 T298 R299 V300I259-L319 HydrophobicContact CB-CD2 4.03Å; I259-L319 HydrophobicContact CG2-CD2 3.87Å; I259-L319 CarbonylContact O-C 3.56Å; I259-L319 VanDerWaalsContact O-CA 3.26Å; I259-L319 WeakPolarHBondContact O-CA 3.45Å; A262-L319 HydrophobicContact CB-CD2 4Å; L297-L319 HydrophobicContact CB-CD1 4.31Å; L297-L319 HydrophobicContact CB-CD2 4.05Å; L297-L319 HydrophobicContact CB-CG 4.09Å; L297-L319 HydrophobicContact CD1-CD2 4.49Å; L297-L319 WeakPolarHBondContact O-CD1 3.49Å; T298-L319 WeakPolarHBondContact O-CB 3.44Å; T298-L319 PolarHBondContact O-N 3.38Å; R299-L319 WeakPolarHBondContact CA-O 3.35Å; R299-L319 HydrophobicContact CG-CB 4.2Å; V300-L319 PolarHBondContact N-O 3.46Å
320S91.6Very high85.1Confident13 Ų1355 Ų559%0.09130%0.296CS..  trans-61152174.262.20000111I259 D322 S323I259-S320 PolarHBondContact O-N 3.07Å; S320-D322 PolarHBondContact O-N 3.31Å; S320-D322 VanDerWaalsContact O-N 3.1Å; S320-S323 WeakPolarHBondContact O-CB 3.49Å; S320-S323 PolarHBondContact O-N 2.87Å; S320-S323 PolarHBondContact OG-N 3.26Å
321V85.8Confident87Confident68 Ų6854.4 Ų54.441%0.41229%0.289SS..THydrogen-bonded Turntrans-53.1-36177.9-173.40000112R299 E302 S323R299-V321 WeakPolarHBondContact CD-O 3.46Å; R299-V321 PolarHBondContact NE-O 2.79Å; E302-V321 HydrophobicContact CG-CG2 4.04Å; V321-S323 VanDerWaalsContact C-N 3.35Å
322D83.8Confident88.7Confident136 Ų13646.5 Ų46.573%0.72725%0.246SC*.THydrogen-bonded Turntrans-84.4-0.4179.8-54.7-37.7000114.2S320 D324S320-D322 PolarHBondContact O-N 3.31Å; S320-D322 VanDerWaalsContact O-N 3.1Å; D322-D324 PolarHBondContact O-N 3.08Å
323S84.1Confident89.6Confident6 Ų643.9 Ų43.94%0.04223%0.229CC..  trans-68.4128.9-176.71750000110.7R299 S320 V321 P325R299-S323 PolarHBondContact NE-O 3.22Å; R299-S323 PolarHBondContact NH2-O 3.12Å; S320-S323 WeakPolarHBondContact O-CB 3.49Å; S320-S323 PolarHBondContact O-N 2.87Å; S320-S323 PolarHBondContact OG-N 3.26Å; V321-S323 VanDerWaalsContact C-N 3.35Å; S323-P325 CarbonylContact C-O 3.56Å; S323-P325 CarbonylContact O-C 3.52Å; S323-P325 PolarHBondContact OG-O 3.45Å
324D78.1Confident90Very high145 Ų14540.2 Ų40.278%0.77521%0.212SC*.SBendtrans-117.1121.9171.8-170.525.8000109.5D322D322-D324 PolarHBondContact O-N 3.08Å
325P81.3Confident90.3Very high54 Ų5438.8 Ų38.835%0.35121%0.205SC..SBendcis-69.9166.42.830.2-36.7000114.8S323 Y327S323-P325 CarbonylContact C-O 3.56Å; S323-P325 CarbonylContact O-C 3.52Å; S323-P325 PolarHBondContact OG-O 3.45Å; P325-Y327 WeakPolarHBondContact CB-O 3.39Å; P325-Y327 WeakPolarHBondContact CG-O 3.29Å; P325-Y327 PolarHBondContact O-N 3.31Å
326C80.1Confident90.6Very high59 Ų5938.6 Ų38.640%0.39920%0.203SC..SBendtrans-72.5-14.617963.70000115.1R299R299-C326 HydrophobicContact CG-CB 4.3Å; R299-C326 WeakPolarHBondContact CG-O 3.45Å; R299-C326 VanDerWaalsContact CZ-CA 3.47Å; R299-C326 PolarHBondContact N-O 3.42Å; R299-C326 VanDerWaalsContact N-O 3.12Å; R299-C326 VanDerWaalsContact NE-CA 3.27Å
327Y89.4Confident90.7Very high110 Ų11038.5 Ų38.543%0.43120%0.203SC..EExtended strand (participates in β ladder)trans-147.9159.216971.2-80.4000108.2L297 P325L297-Y327 CarbonylContact O-C 3.6Å; L297-Y327 WeakPolarHBondContact O-CA 3.33Å; P325-Y327 WeakPolarHBondContact CB-O 3.39Å; P325-Y327 WeakPolarHBondContact CG-O 3.29Å; P325-Y327 PolarHBondContact O-N 3.31Å
328R93.4Very high90.8Very high29 Ų2934.4 Ų34.411%0.10918%0.184CC..EExtended strand (participates in β ladder)trans-136.9114.5173.6-166.474168.5159-0108.3A262 L297 Y330 S491 D493 N494A262-R328 HydrophobicContact CB-CB 4.31Å; A262-R328 HydrophobicContact CB-CG 4.28Å; L297-R328 PolarHBondContact N-O 2.92Å; L297-R328 PolarHBondContact O-N 3.38Å; R328-Y330 HydrophobicContact CB-CE2 3.88Å; R328-Y330 HydrophobicContact CG-CD2 4.28Å; R328-Y330 HydrophobicContact CG-CE1 4.35Å; R328-Y330 HydrophobicContact CG-CE2 3.48Å; R328-Y330 VanDerWaalsContact CG-CE2 3.48Å; R328-Y330 WeakPolarHBondContact CG-OH 3.35Å; R328-S491 VanDerWaalsContact CZ-CB 3.43Å; R328-S491 PolarHBondContact NE-OG 3.28Å; R328-S491 PolarHBondContact NH1-OG 2.79Å; R328-S491 PolarHBondContact NH2-OG 3.5Å; R328-S491 VanDerWaalsContact NH2-OG 3.15Å; R328-D493 IonicContact CZ-OD2 2.7Å; R328-D493 IonicContact NH1-OD2 2.64Å; R328-D493 PolarHBondContact NH1-OD2 3.37Å; R328-N494 PolarHBondContact NH2-OD1 2.86Å
329A94.2Very high90.6Very high24 Ų2436.2 Ų36.220%0.19819%0.193CC..EExtended strand (participates in β ladder)trans-88.9136.7174.300000110.3S491 V492A329-S491 WeakPolarHBondContact O-CA 3.3Å; A329-S491 PolarHBondContact O-OG 3.36Å; A329-V492 HydrophobicContact CB-CB 4.31Å; A329-V492 HydrophobicContact CB-CG2 4.03Å; A329-V492 PolarHBondContact O-N 3.2Å
330Y95.7Very high90.3Very high0 Ų037.2 Ų37.20%020%0.204CC..EExtended strand (participates in β ladder)trans-126.1149.2178.9-68.7-86.1000111.4A262 P263 L266 L294 L295 L297 R328 E490A262-Y330 VanDerWaalsContact CB-OH 3.23Å; A262-Y330 WeakPolarHBondContact CB-OH 3.32Å; P263-Y330 VanDerWaalsContact O-CE1 3.22Å; P263-Y330 WeakPolarHBondContact O-CE1 3.33Å; P263-Y330 PolarHBondContact O-OH 3.02Å; L266-Y330 HydrophobicContact CB-CD1 4.05Å; L266-Y330 HydrophobicContact CB-CE1 3.66Å; L266-Y330 HydrophobicContact CD2-CD2 4.43Å; L266-Y330 HydrophobicContact CD2-CE2 4.28Å; L294-Y330 CarbonylContact C-O 3.46Å; L294-Y330 VanDerWaalsContact CA-O 3.25Å; L294-Y330 WeakPolarHBondContact CA-O 3.38Å; L295-Y330 PolarHBondContact N-O 2.87Å; L295-Y330 PolarHBondContact O-N 3.21Å; L297-Y330 HydrophobicContact CD1-CD2 4.4Å; L297-Y330 HydrophobicContact CD1-CE2 3.69Å; L297-Y330 HydrophobicContact CG-CD2 4.19Å; L297-Y330 HydrophobicContact CG-CE2 3.88Å; R328-Y330 HydrophobicContact CB-CE2 3.88Å; R328-Y330 HydrophobicContact CG-CD2 4.28Å; R328-Y330 HydrophobicContact CG-CE1 4.35Å; R328-Y330 HydrophobicContact CG-CE2 3.48Å; R328-Y330 VanDerWaalsContact CG-CE2 3.48Å; R328-Y330 WeakPolarHBondContact CG-OH 3.35Å; Y330-E490 CarbonylContact C-O 3.56Å; Y330-E490 WeakPolarHBondContact CA-O 3.34Å
331R94.2Very high89.7Confident67 Ų6742.2 Ų42.225%0.25323%0.229SC..EExtended strand (participates in β ladder)trans-116.6137.2172.6-167.7175.1-170.7-157.6-0.4110.5D293 L294 C333 E381 Y489 E490 V492D293-R331 CarbonylContact O-C 3.55Å; D293-R331 WeakPolarHBondContact O-CA 3.22Å; L294-R331 HydrophobicContact CD2-CB 4.07Å; L294-R331 HydrophobicContact CD2-CG 4.06Å; R331-C333 PolarHBondContact O-N 3.39Å; R331-C333 VanDerWaalsContact O-N 3.15Å; R331-E381 IonicContact CZ-OE1 2.77Å; R331-E381 VanDerWaalsContact CZ-OE1 3.23Å; R331-E381 IonicContact CZ-OE2 3.56Å; R331-E381 IonicContact NH1-OE1 2.69Å; R331-E381 PolarHBondContact NH1-OE1 3.21Å; R331-E381 IonicContact NH2-OE1 2.55Å; R331-E381 PolarHBondContact NH2-OE1 3.45Å; R331-E381 IonicContact NH2-OE2 2.71Å; R331-E381 PolarHBondContact NH2-OE2 2.75Å; R331-Y489 VanDerWaalsContact C-CD1 3.46Å; R331-Y489 WeakPolarHBondContact O-CA 3.48Å; R331-E490 PolarHBondContact N-O 3.43Å; R331-E490 PolarHBondContact O-N 3.25Å; R331-V492 HydrophobicContact CB-CG2 4.27Å
332L96Very high89.2Confident0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-64.6115177.2-177.568000109.7L291 D293 V335 R353 W383 H479 V487 Y489L291-L332 HydrophobicContact CB-CD2 4.43Å; D293-L332 PolarHBondContact O-N 3.42Å; L332-V335 HydrophobicContact CD1-CG2 4.03Å; L332-V335 HydrophobicContact CD2-CG2 4.24Å; L332-V335 HydrophobicContact CG-CG2 4.46Å; L332-R353 WeakPolarHBondContact O-CD 3.48Å; L332-R353 PolarHBondContact O-NE 3.41Å; L332-W383 HydrophobicContact CD2-CH2 3.91Å; L332-W383 HydrophobicContact CG-CH2 4Å; L332-H479 HydrophobicContact CD2-CB 4.23Å; L332-H479 WeakPolarHBondContact CD2-CD2 3.22Å; L332-V487 HydrophobicContact CD1-CG1 3.38Å; L332-Y489 HydrophobicContact CB-CD1 4.22Å; L332-Y489 HydrophobicContact CB-CE1 3.66Å; L332-Y489 HydrophobicContact CD1-CD2 4.31Å; L332-Y489 HydrophobicContact CD1-CE1 4.13Å; L332-Y489 HydrophobicContact CD1-CE2 3.83Å; L332-Y489 HydrophobicContact CG-CE1 4.5Å
333C94.1Very high88.5Confident6 Ų636.6 Ų36.64%0.04120%0.196CC..EExtended strand (participates in β ladder)trans-112.6-24.4-176700000113.2R331 R353 F488 E490R331-C333 PolarHBondContact O-N 3.39Å; R331-C333 VanDerWaalsContact O-N 3.15Å; C333-R353 PolarHBondContact O-N 2.96Å; C333-F488 PolarHBondContact N-O 3.44Å; C333-F488 VanDerWaalsContact SG-C 3.58Å; C333-F488 PolarHBondContact SG-O 3.4Å; C333-E490 HydrophobicContact CB-CB 3.96Å
334G95.6Very high87.9Confident0 Ų039.2 Ų39.20%021%0.212CC..EExtended strand (participates in β ladder)trans-156.8147.6-178.800000114.1V351 F488G334-V351 CarbonylContact C-O 3.51Å; G334-V351 VanDerWaalsContact CA-O 3.31Å; G334-V351 WeakPolarHBondContact CA-O 3.34Å; G334-F488 PolarHBondContact N-O 2.99Å; G334-F488 PolarHBondContact O-N 3.42Å
335V97.1Very high87.8Confident0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-134.8122.6172-173.80000109.2L291 L332 L337 V351 L401 A484L291-V335 HydrophobicContact CD1-CG2 4.11Å; L332-V335 HydrophobicContact CD1-CG2 4.03Å; L332-V335 HydrophobicContact CD2-CG2 4.24Å; L332-V335 HydrophobicContact CG-CG2 4.46Å; V335-L337 HydrophobicContact CG1-CD2 3.74Å; V335-L337 HydrophobicContact CG1-CG 4.45Å; V335-V351 PolarHBondContact N-O 2.61Å; V335-V351 PolarHBondContact O-N 3.09Å; V335-L401 HydrophobicContact CB-CD1 4.42Å; V335-L401 HydrophobicContact CG1-CD2 4.37Å; V335-L401 HydrophobicContact CG2-CD2 4.07Å; V335-A484 HydrophobicContact CG1-CB 3.68Å
336L96.6Very high88Confident0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-86.8116.6168.1-173.170000108.8A96 F97 L100 A161 Y348 Y485 M486 F488A96-L336 HydrophobicContact CB-CD1 3.34Å; F97-L336 HydrophobicContact CE1-CD2 3.98Å; F97-L336 HydrophobicContact CE2-CD2 4.25Å; F97-L336 HydrophobicContact CZ-CD2 3.69Å; L100-L336 HydrophobicContact CD1-CB 4.21Å; L100-L336 HydrophobicContact CD1-CD1 4.12Å; A161-L336 HydrophobicContact CB-CD2 4.04Å; L336-Y348 HydrophobicContact CD1-CD1 4.44Å; L336-Y348 HydrophobicContact CD2-CD1 4.13Å; L336-Y348 HydrophobicContact CG-CD1 4.22Å; L336-Y485 PolarHBondContact O-N 2.82Å; L336-M486 HydrophobicContact CB-CB 3.94Å; L336-M486 HydrophobicContact CD2-CB 4.24Å; L336-M486 HydrophobicContact CD2-CG 4.12Å; L336-M486 HydrophobicContact CD2-SD 3.9Å; L336-M486 PolarHBondContact N-O 2.83Å; L336-M486 PolarHBondContact O-N 3.37Å; L336-F488 HydrophobicContact CB-CE2 4.23Å
337L95.6Very high88.5Confident1 Ų132.3 Ų32.31%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-95.3132.2176.5-58.9-179.9000110V335 I339 Y348 I349 V351 L401 I404 N483 A484V335-L337 HydrophobicContact CG1-CD2 3.74Å; V335-L337 HydrophobicContact CG1-CG 4.45Å; L337-I339 HydrophobicContact CB-CG1 4.42Å; L337-Y348 WeakPolarHBondContact O-CA 3.2Å; L337-I349 PolarHBondContact N-O 2.78Å; L337-I349 PolarHBondContact O-N 2.67Å; L337-V351 HydrophobicContact CD1-CG2 3.65Å; L337-V351 HydrophobicContact CG-CG2 4.09Å; L337-L401 HydrophobicContact CD1-CD1 4.49Å; L337-L401 HydrophobicContact CD2-CD1 4.28Å; L337-I404 HydrophobicContact CD1-CB 4.2Å; L337-I404 HydrophobicContact CD1-CG2 3.88Å; L337-N483 WeakPolarHBondContact CA-O 3.12Å; L337-N483 HydrophobicContact CD2-CB 4.37Å; L337-A484 HydrophobicContact CD2-CB 4.31Å
338H92.8Very high88.8Confident1 Ų127.2 Ų27.21%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-103.3109166.2176.2-103.6000109.7F273 K284 G346 Y348 N483 Y485F273-H338 AromaticContact CZ-CE1 3.65Å; F273-H338 AromaticContact CZ-ND1 3.6Å; K284-H338 PolarHBondContact NZ-O 2.89Å; H338-G346 VanDerWaalsContact NE2-CA 3.32Å; H338-G346 WeakPolarHBondContact NE2-CA 3.45Å; H338-Y348 HydrophobicContact CB-CD1 4.25Å; H338-Y348 HydrophobicContact CB-CE1 3.97Å; H338-Y348 AromaticContact CD2-CE1 3.63Å; H338-Y348 AromaticContact CD2-CE2 3.82Å; H338-Y348 AromaticContact CD2-CZ 3.46Å; H338-Y348 VanDerWaalsContact CD2-CZ 3.46Å; H338-N483 PolarHBondContact N-O 2.92Å; H338-Y485 HydrophobicContact CB-CD1 4.29Å; H338-Y485 HydrophobicContact CB-CG 4.1Å
339I90.3Very high88.8Confident41 Ų4125.9 Ų25.921%0.2115%0.148CC..EExtended strand (participates in β ladder)trans-98.6106-177.4-53.7-171000109.1L337 G346 H347 I349 N405L337-I339 HydrophobicContact CB-CG1 4.42Å; I339-G346 CarbonylContact O-C 3.4Å; I339-G346 WeakPolarHBondContact O-CA 3.41Å; I339-H347 HydrophobicContact CB-CB 4.42Å; I339-H347 WeakPolarHBondContact CB-O 3.33Å; I339-H347 PolarHBondContact N-O 2.84Å; I339-H347 PolarHBondContact O-N 3.12Å; I339-I349 HydrophobicContact CD1-CD1 3.52Å; I339-I349 HydrophobicContact CD1-CG1 4.22Å; I339-N405 WeakPolarHBondContact CD1-O 3.36Å
340G87.1Confident88.9Confident22 Ų2224.7 Ų24.723%0.22714%0.139CC..  trans162.8155.5-173.300000110.9K284K284-G340 VanDerWaalsContact CD-O 3.29Å; K284-G340 WeakPolarHBondContact CD-O 3.3Å; K284-G340 PolarHBondContact NZ-O 3.38Å
341N79.1Confident88.8Confident117 Ų11724.7 Ų24.763%0.62614%0.139SC*.SBendtrans-99.8-21.4177.4-73.1-32.2000112.7K286K286-N341 WeakPolarHBondContact CE-OD1 3.15Å; K286-N341 PolarHBondContact NZ-OD1 2.87Å
342Q75.3Confident88.8Confident64 Ų6421.6 Ų21.630%0.29913%0.127SC..  trans-87.7150.8-175.7-71.4-175.1-10.900110.9T344 S345 F1231Q342-T344 VanDerWaalsContact C-N 3.32Å; Q342-S345 PolarHBondContact OE1-OG 3.34Å; Q342-F1231 PolarHBondContact NE2-O 2.91Å
343P69.2Low88.6Confident22 Ų2222.5 Ų22.514%0.14313%0.131CC..SBendtrans-83.8-7.2174.635.5-36.3000112.9F273 R282 F1313F273-P343 HydrophobicContact CD1-CB 3.79Å; F273-P343 HydrophobicContact CE1-CB 4.14Å; R282-P343 HydrophobicContact CB-CB 3.52Å; R282-P343 HydrophobicContact CB-CG 3.49Å; R282-P343 VanDerWaalsContact CB-CG 3.49Å; P343-F1313 WeakPolarHBondContact O-CE1 3.45Å; P343-F1313 WeakPolarHBondContact O-CE2 3.25Å; P343-F1313 WeakPolarHBondContact O-CZ 3.46Å
344T69.7Low87.9Confident62 Ų6223 Ų2338%0.3813%0.132SC..SBendtrans-114.1-11.3-178.349.70000112.8Q342Q342-T344 VanDerWaalsContact C-N 3.32Å
345S76.3Confident86.6Confident44 Ų4426 Ų2631%0.30815%0.154SC..  trans-148.8143.5-178.475.20000111.9Q342Q342-S345 PolarHBondContact OE1-OG 3.34Å
346G85.9Confident84.5Confident15 Ų1529.1 Ų29.116%0.15517%0.166CC..  trans175.1-175.9169.400000111.5Q158 H338 I339Q158-G346 PolarHBondContact NE2-O 3.41Å; Q158-G346 VanDerWaalsContact OE1-N 3.12Å; Q158-G346 PolarHBondContact OE1-O 3.03Å; H338-G346 VanDerWaalsContact NE2-CA 3.32Å; H338-G346 WeakPolarHBondContact NE2-CA 3.45Å; I339-G346 CarbonylContact O-C 3.4Å; I339-G346 WeakPolarHBondContact O-CA 3.41Å
347H91.6Very high82.1Confident53 Ų5334.1 Ų34.125%0.24519%0.188CC..EExtended strand (participates in β ladder)trans-117.7125.5-172.6-168.659000111.2C92 I339 N387 D388C92-H347 WeakPolarHBondContact CB-CE1 3.36Å; C92-H347 PolarHBondContact SG-ND1 2.94Å; C92-H347 VanDerWaalsContact SG-ND1 3.4Å; I339-H347 HydrophobicContact CB-CB 4.42Å; I339-H347 WeakPolarHBondContact CB-O 3.33Å; I339-H347 PolarHBondContact N-O 2.84Å; I339-H347 PolarHBondContact O-N 3.12Å; H347-N387 PolarHBondContact NE2-OD1 3.01Å; H347-D388 IonicContact CE1-OD2 3.9Å; H347-D388 PolarHBondContact CE1-OD2 2.72Å; H347-D388 VanDerWaalsContact CE1-OD2 3.23Å; H347-D388 IonicContact NE2-OD2 2.85Å
348Y93.8Very high79.1Confident4 Ų444 Ų442%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-95.5136.7-177.8-67.5-87.4000111.2A161 L336 L337 H338 Y485A161-Y348 HydrophobicContact CB-CD1 4.17Å; A161-Y348 HydrophobicContact CB-CE1 3.54Å; L336-Y348 HydrophobicContact CD1-CD1 4.44Å; L336-Y348 HydrophobicContact CD2-CD1 4.13Å; L336-Y348 HydrophobicContact CG-CD1 4.22Å; L337-Y348 WeakPolarHBondContact O-CA 3.2Å; H338-Y348 HydrophobicContact CB-CD1 4.25Å; H338-Y348 HydrophobicContact CB-CE1 3.97Å; H338-Y348 AromaticContact CD2-CE1 3.63Å; H338-Y348 AromaticContact CD2-CE2 3.82Å; H338-Y348 AromaticContact CD2-CZ 3.46Å; H338-Y348 VanDerWaalsContact CD2-CZ 3.46Å; Y348-Y485 AromaticContact CE1-CD1 3.76Å; Y348-Y485 HydrophobicContact CE1-CD1 3.76Å; Y348-Y485 AromaticContact CE1-CE1 3.98Å; Y348-Y485 HydrophobicContact CE1-CE1 3.98Å
349I94.7Very high76.1Confident0 Ų049.2 Ų49.20%026%0.257CS..EExtended strand (participates in β ladder)trans-138.8137.7-179.9-59.2-172.2000108.5L337 I339 V385 C386 N387L337-I349 PolarHBondContact N-O 2.78Å; L337-I349 PolarHBondContact O-N 2.67Å; I339-I349 HydrophobicContact CD1-CD1 3.52Å; I339-I349 HydrophobicContact CD1-CG1 4.22Å; I349-V385 HydrophobicContact CG2-CG1 4Å; I349-C386 VanDerWaalsContact CG2-O 3.3Å; I349-C386 WeakPolarHBondContact CG2-O 3.38Å; I349-N387 HydrophobicContact CD1-CB 4.02Å; I349-N387 HydrophobicContact CG1-CB 4.36Å; I349-N387 HydrophobicContact CG2-CB 4.33Å
350A95.4Very high73.1Confident0 Ų054.2 Ų54.20%028%0.284CS..EExtended strand (participates in β ladder)trans-96.6133.3173.100000110.6A96 Q99 L100 L352 C386A96-A350 HydrophobicContact CB-CB 4.05Å; A96-A350 WeakPolarHBondContact O-CB 3.28Å; Q99-A350 HydrophobicContact CB-CB 4.17Å; L100-A350 HydrophobicContact CD1-CB 4.41Å; L100-A350 HydrophobicContact CG-CB 4.13Å; A350-L352 HydrophobicContact CB-CD2 4.29Å; A350-L352 HydrophobicContact CB-CG 4.29Å; A350-C386 HydrophobicContact CB-CB 4.34Å; A350-C386 PolarHBondContact N-O 2.83Å; A350-C386 PolarHBondContact O-N 3.49Å
351V95.2Very high70.4Confident0 Ų061 Ų610%031%0.314CS..EExtended strand (participates in β ladder)trans-117.6113.9172.3-175.20000107.8G334 V335 L337 W383 S384 V385 F399 L401 I404G334-V351 CarbonylContact C-O 3.51Å; G334-V351 VanDerWaalsContact CA-O 3.31Å; G334-V351 WeakPolarHBondContact CA-O 3.34Å; V335-V351 PolarHBondContact N-O 2.61Å; V335-V351 PolarHBondContact O-N 3.09Å; L337-V351 HydrophobicContact CD1-CG2 3.65Å; L337-V351 HydrophobicContact CG-CG2 4.09Å; V351-W383 HydrophobicContact CG1-CE3 3.9Å; V351-S384 WeakPolarHBondContact CA-O 3.33Å; V351-V385 HydrophobicContact CG1-CG2 4.36Å; V351-V385 HydrophobicContact CG2-CG1 4.46Å; V351-F399 HydrophobicContact CG1-CE2 3.61Å; V351-F399 HydrophobicContact CG1-CZ 3.48Å; V351-F399 VanDerWaalsContact CG1-CZ 3.48Å; V351-L401 HydrophobicContact CB-CD1 4.38Å; V351-L401 HydrophobicContact CG1-CD1 4.21Å; V351-L401 HydrophobicContact CG2-CD1 4.37Å; V351-I404 HydrophobicContact CG2-CG2 4.03Å
352L94.1Very high68.1Low2 Ų259.7 Ų59.71%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-121.4136.8-166.2-55.7177.5000110.5Q99 L100 R103 A350 W383 S384Q99-L352 HydrophobicContact CB-CD1 3.92Å; Q99-L352 VanDerWaalsContact O-CD1 3.28Å; Q99-L352 WeakPolarHBondContact O-CD1 3.15Å; L100-L352 HydrophobicContact CB-CD2 4.42Å; L100-L352 HydrophobicContact CD2-CD2 3.24Å; L100-L352 HydrophobicContact CG-CD2 3.73Å; R103-L352 HydrophobicContact CB-CD1 4.47Å; A350-L352 HydrophobicContact CB-CD2 4.29Å; A350-L352 HydrophobicContact CB-CG 4.29Å; L352-W383 VanDerWaalsContact C-CE3 3.49Å; L352-W383 CarbonylContact O-C 3.51Å; L352-W383 WeakPolarHBondContact O-CA 3.45Å; L352-S384 PolarHBondContact N-O 3.28Å; L352-S384 PolarHBondContact O-N 2.9Å
353R91.1Very high65.9Low19 Ų1963.7 Ų63.77%0.07234%0.338CS..EExtended strand (participates in β ladder)trans-77.8133.3172.6-178.5-179.5-79-82.26.6109.8R103 D293 L332 C333 E381 W383R103-R353 PolarHBondContact NE-O 2.98Å; R103-R353 PolarHBondContact NH2-O 3.1Å; D293-R353 IonicContact OD1-CZ 3.8Å; D293-R353 IonicContact OD1-NH2 3.52Å; D293-R353 PolarHBondContact OD1-NH2 3.28Å; D293-R353 IonicContact OD2-CZ 3.22Å; D293-R353 IonicContact OD2-NH2 2.71Å; D293-R353 PolarHBondContact OD2-NH2 3.21Å; L332-R353 WeakPolarHBondContact O-CD 3.48Å; L332-R353 PolarHBondContact O-NE 3.41Å; C333-R353 PolarHBondContact O-N 2.96Å; R353-E381 IonicContact NH1-OE2 2.71Å; R353-E381 PolarHBondContact NH1-OE2 3.4Å; R353-W383 HydrophobicContact CB-CD2 4.26Å; R353-W383 HydrophobicContact CB-CE3 4.02Å; R353-W383 HydrophobicContact CB-CH2 3.98Å; R353-W383 HydrophobicContact CB-CZ2 4.23Å; R353-W383 HydrophobicContact CB-CZ3 3.86Å; R353-W383 HydrophobicContact CG-CZ2 4.47Å; R353-W383 VanDerWaalsContact CZ-CZ2 3.47Å; R353-W383 VanDerWaalsContact NH2-CZ2 3.3Å
354D80Confident64.1Low15 Ų1570.1 Ų70.18%0.0837%0.371CS..EExtended strand (participates in β ladder)trans-127.9146.8176.5-159.119.6000112R82 R103 E381 C382R82-D354 IonicContact CZ-OD1 3.69Å; R82-D354 IonicContact CZ-OD2 2.77Å; R82-D354 IonicContact NE-OD2 3.21Å; R82-D354 PolarHBondContact NE-OD2 3.08Å; R82-D354 VanDerWaalsContact NE-OD2 3.11Å; R82-D354 IonicContact NH2-OD1 2.71Å; R82-D354 PolarHBondContact NH2-OD1 3.41Å; R82-D354 IonicContact NH2-OD2 3.44Å; R82-D354 PolarHBondContact NH2-OD2 3.1Å; R103-D354 IonicContact CZ-OD1 3.63Å; R103-D354 IonicContact NH1-OD1 3.56Å; R103-D354 PolarHBondContact NH1-OD1 3.48Å; R103-D354 IonicContact NH2-OD1 3.57Å; D354-E381 CarbonylContact O-C 3.56Å; D354-E381 WeakPolarHBondContact O-CA 3.41Å; D354-C382 WeakPolarHBondContact CA-O 3.3Å; D354-C382 PolarHBondContact N-O 2.98Å; D354-C382 PolarHBondContact O-N 3.3Å
355S67.8Low62.1Low65 Ų6575.7 Ų75.746%0.45539%0.39SS..EExtended strand (participates in β ladder)trans-113.8115.4177.324.70000107.7R103 K357R103-S355 PolarHBondContact NH2-OG 3.49Å; S355-K357 PolarHBondContact O-N 3.03Å
356Y51.7Low59.8Low64 Ų6481 Ų8125%0.25142%0.415SS..  trans-69.1122.8170.4-69.5-73.8000108.3H80 G380 C382H80-Y356 HydrophobicContact CB-CE1 4.32Å; Y356-G380 WeakPolarHBondContact CA-O 3.33Å; Y356-G380 WeakPolarHBondContact CB-O 3.41Å; Y356-G380 WeakPolarHBondContact CD2-O 3.28Å; Y356-G380 PolarHBondContact N-O 2.98Å; Y356-C382 HydrophobicContact CD2-CB 4.33Å; Y356-C382 HydrophobicContact CE2-CB 3.58Å; Y356-C382 WeakPolarHBondContact CE2-SG 3.27Å; Y356-C382 VanDerWaalsContact CZ-SG 3.56Å
357K47.3Very low57.2Low105 Ų10586.4 Ų86.446%0.45745%0.445SS..  trans-84.3126.6149.8-71.2179.4-178.8166.50106.4S355 T359 D498 D500S355-K357 PolarHBondContact O-N 3.03Å; K357-T359 VanDerWaalsContact C-N 3.29Å; K357-T359 PolarHBondContact O-N 2.89Å; K357-D498 PolarHBondContact NZ-O 2.97Å; K357-D500 IonicContact NZ-OD1 3.07Å; K357-D500 PolarHBondContact NZ-OD1 2.77Å; K357-D500 IonicContact NZ-OD2 2.93Å; K357-D500 PolarHBondContact NZ-OD2 3.43Å
358R31.8Very low54Low210 Ų21093.4 Ų93.479%0.79248%0.478SS*.  trans-63.697167.2-162.5-173.2-67.3-178.80.6105.6N360R358-N360 PolarHBondContact O-N 3.09Å; R358-N360 VanDerWaalsContact O-N 3.13Å
359T30.9Very low51Low109 Ų109100.9 Ų100.967%0.66952%0.517SS*.  trans-55.3122.8166.246.50000105.6K357 L361K357-T359 VanDerWaalsContact C-N 3.29Å; K357-T359 PolarHBondContact O-N 2.89Å; T359-L361 PolarHBondContact O-N 3.37Å
360N27.8Very low47.7Very low147 Ų147105.3 Ų105.379%0.78655%0.548SS*.  trans-54.391.2177.9-71.7-31.5000109.1R358 S362R358-N360 PolarHBondContact O-N 3.09Å; R358-N360 VanDerWaalsContact O-N 3.13Å; N360-S362 PolarHBondContact O-N 3Å
361L30.2Very low44.5Very low163 Ų163110.8 Ų110.885%0.85358%0.582SS**  trans-7265.8152.3-80154.3000105.7T359 D363T359-L361 PolarHBondContact O-N 3.37Å; L361-D363 VanDerWaalsContact C-N 3.3Å; L361-D363 PolarHBondContact O-N 2.86Å
362S29.5Very low41.5Very low90 Ų90119.8 Ų119.863%0.62962%0.624SS**  trans-8089.6158.553.70000106N360N360-S362 PolarHBondContact O-N 3Å
363D30.5Very low38.6Very low148 Ų148126.9 Ų126.979%0.79166%0.662SS**  trans-166.857130.6-89.1-18000108.7L361L361-D363 VanDerWaalsContact C-N 3.3Å; L361-D363 PolarHBondContact O-N 2.86Å
364D30.6Very low35.9Very low157 Ų157130.2 Ų130.284%0.8468%0.681SS**  trans-136.694.8147.6-102.4-27.9000107.6
365K27.6Very low33.9Very low180 Ų180136.1 Ų136.178%0.78372%0.72SS**  trans-58.3138.6165.9-68.1-176.9176.6178.90107.4
366N28.6Very low32.5Very low155 Ų155139 Ų13983%0.82973%0.73SS**  trans106.486.2172.7-49.4-26.8000113.1
367T31.2Very low31.9Very low129 Ų129142.1 Ų142.179%0.79175%0.75SS**  -170.396.1120.8-61.80000107.1L369T367-L369 PolarHBondContact O-N 3.32Å
368E24.8Very low31.7Very low200 Ų200143 Ų14394%0.93575%0.754SS**  trans-67.3110.9161.9-66.9176168.500107.3
369L30.2Very low32.1Very low161 Ų161139.4 Ų139.484%0.84375%0.75SS**  trans-121.5121.7162.5-152.278.2000109.1T367T367-L369 PolarHBondContact O-N 3.32Å
370S26Very low33.7Very low93 Ų93135.9 Ų135.965%0.6574%0.736SS**  trans-72.7145.8-171.148.20000114.3
371T27.4Very low36.1Very low115 Ų115130.8 Ų130.871%0.70671%0.707SS**  trans64.7112.2139.653.20000120.6
372E32.4Very low38.9Very low189 Ų189123 Ų12388%0.88367%0.666SS**  trans49.784.8131-57.5-166.6172.600118.6
373D32.8Very low41.8Very low151 Ų151118.9 Ų118.981%0.80764%0.637SS**  trans-142.2114.1155-85.1-42.7000109.8
374D34.7Very low44.7Very low88 Ų88111.8 Ų111.847%0.47160%0.599SS.*  trans44.1110.9162.5-157.3-14000120.1L376 L377D374-L376 PolarHBondContact O-N 3.12Å; D374-L376 PolarHBondContact OD1-N 3.47Å; D374-L377 HydrophobicContact CB-CD1 4.22Å; D374-L377 PolarHBondContact O-N 2.78Å
375P38.6Very low47.7Very low139 Ų139104.3 Ų104.390%0.90356%0.559SS**THydrogen-bonded Turntrans-59.6-14178.8-20.931.5000116.4
376L38.9Very low50.8Low125 Ų12595.9 Ų95.965%0.65452%0.523SS*.THydrogen-bonded Turntrans-95.7-2.8-178.5-87.1159.6000114.7D374 K378D374-L376 PolarHBondContact O-N 3.12Å; D374-L376 PolarHBondContact OD1-N 3.47Å; L376-K378 VanDerWaalsContact C-N 3.27Å; L376-K378 PolarHBondContact O-N 2.99Å
377L38.1Very low53.8Low130 Ų13089.4 Ų89.468%0.68149%0.488SS*.SBendtrans-7877.5173.4-82.5166.3000111.8D374 L379D374-L377 HydrophobicContact CB-CD1 4.22Å; D374-L377 PolarHBondContact O-N 2.78Å; L377-L379 PolarHBondContact O-N 3.39Å
378K42.5Very low56.7Low124 Ų12484.4 Ų84.454%0.53946%0.456SS..  trans29.473.6147.4-68.4179.8178.7175.30116.3L376 G380L376-K378 VanDerWaalsContact C-N 3.27Å; L376-K378 PolarHBondContact O-N 2.99Å; K378-G380 PolarHBondContact O-N 3.15Å; K378-G380 VanDerWaalsContact O-N 3.14Å
379L41.8Very low59.8Low134 Ų13478.7 Ų78.770%0.70243%0.432SS*.  trans-65.3105157-156.477.7000108.9L377 E381L377-L379 PolarHBondContact O-N 3.39Å; L379-E381 PolarHBondContact O-N 3.2Å
380G63Low62.6Low36 Ų3674.2 Ų74.237%0.37141%0.408SS..SBendtrans41.357.7159.900000118.8Y356 K378Y356-G380 WeakPolarHBondContact CA-O 3.33Å; Y356-G380 WeakPolarHBondContact CB-O 3.41Å; Y356-G380 WeakPolarHBondContact CD2-O 3.28Å; Y356-G380 PolarHBondContact N-O 2.98Å; K378-G380 PolarHBondContact O-N 3.15Å; K378-G380 VanDerWaalsContact O-N 3.14Å
381E79Confident65.6Low40 Ų4070.8 Ų70.819%0.18738%0.384CS..EExtended strand (participates in β ladder)trans-95.3142.4167.4-68.3-174.1156.200111.1R331 R353 D354 L379 S396R331-E381 IonicContact CZ-OE1 2.77Å; R331-E381 VanDerWaalsContact CZ-OE1 3.23Å; R331-E381 IonicContact CZ-OE2 3.56Å; R331-E381 IonicContact NH1-OE1 2.69Å; R331-E381 PolarHBondContact NH1-OE1 3.21Å; R331-E381 IonicContact NH2-OE1 2.55Å; R331-E381 PolarHBondContact NH2-OE1 3.45Å; R331-E381 IonicContact NH2-OE2 2.71Å; R331-E381 PolarHBondContact NH2-OE2 2.75Å; R353-E381 IonicContact NH1-OE2 2.71Å; R353-E381 PolarHBondContact NH1-OE2 3.4Å; D354-E381 CarbonylContact O-C 3.56Å; D354-E381 WeakPolarHBondContact O-CA 3.41Å; L379-E381 PolarHBondContact O-N 3.2Å; E381-S396 VanDerWaalsContact CB-OG 3.27Å; E381-S396 WeakPolarHBondContact CB-OG 3.42Å; E381-S396 VanDerWaalsContact O-CB 3.26Å; E381-S396 WeakPolarHBondContact O-CB 3.34Å; E381-S396 PolarHBondContact O-N 2.86Å; E381-S396 PolarHBondContact O-OG 2.84Å
382C87.9Confident68.4Low0 Ų066.6 Ų66.60%036%0.356CS..EExtended strand (participates in β ladder)trans-134.1171.9171.869.30000112D354 Y356 N393 V394 S396D354-C382 WeakPolarHBondContact CA-O 3.3Å; D354-C382 PolarHBondContact N-O 2.98Å; D354-C382 PolarHBondContact O-N 3.3Å; Y356-C382 HydrophobicContact CD2-CB 4.33Å; Y356-C382 HydrophobicContact CE2-CB 3.58Å; Y356-C382 WeakPolarHBondContact CE2-SG 3.27Å; Y356-C382 VanDerWaalsContact CZ-SG 3.56Å; C382-N393 HydrophobicContact CB-CB 4.47Å; C382-V394 CarbonylContact C-O 3.41Å; C382-V394 VanDerWaalsContact CA-O 3.26Å; C382-V394 WeakPolarHBondContact CA-O 3.31Å; C382-V394 WeakPolarHBondContact CB-O 3.37Å; C382-S396 PolarHBondContact N-OG 3.04Å
383W91.5Very high71Confident2 Ų257.9 Ų57.91%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-119.4120.8174.6-72.782.7000109.4L332 V351 L352 R353 N393 V394 F399 H479L332-W383 HydrophobicContact CD2-CH2 3.91Å; L332-W383 HydrophobicContact CG-CH2 4Å; V351-W383 HydrophobicContact CG1-CE3 3.9Å; L352-W383 VanDerWaalsContact C-CE3 3.49Å; L352-W383 CarbonylContact O-C 3.51Å; L352-W383 WeakPolarHBondContact O-CA 3.45Å; R353-W383 HydrophobicContact CB-CD2 4.26Å; R353-W383 HydrophobicContact CB-CE3 4.02Å; R353-W383 HydrophobicContact CB-CH2 3.98Å; R353-W383 HydrophobicContact CB-CZ2 4.23Å; R353-W383 HydrophobicContact CB-CZ3 3.86Å; R353-W383 HydrophobicContact CG-CZ2 4.47Å; R353-W383 VanDerWaalsContact CZ-CZ2 3.47Å; R353-W383 VanDerWaalsContact NH2-CZ2 3.3Å; W383-N393 CarbonylContact O-C 3.56Å; W383-N393 WeakPolarHBondContact O-CA 3.42Å; W383-V394 PolarHBondContact N-O 2.83Å; W383-V394 PolarHBondContact O-N 2.82Å; W383-F399 HydrophobicContact CB-CB 4.47Å; W383-F399 HydrophobicContact CB-CD1 4.37Å; W383-F399 HydrophobicContact CB-CD2 3.41Å; W383-F399 VanDerWaalsContact CB-CD2 3.41Å; W383-F399 HydrophobicContact CB-CE1 4.49Å; W383-F399 HydrophobicContact CB-CE2 3.57Å; W383-F399 HydrophobicContact CB-CG 3.83Å; W383-F399 HydrophobicContact CB-CZ 4.11Å; W383-F399 AromaticContact CD1-CD1 3.43Å; W383-F399 VanDerWaalsContact CD1-CD1 3.43Å; W383-F399 AromaticContact CD1-CD2 3.89Å; W383-F399 AromaticContact CD1-CG 3.33Å; W383-F399 AromaticContact CD2-CD1 3.76Å; W383-F399 HydrophobicContact CD2-CD1 3.76Å; W383-F399 HydrophobicContact CD2-CD2 4.32Å; W383-F399 AromaticContact CD2-CE1 3.52Å; W383-F399 HydrophobicContact CD2-CE1 3.52Å; W383-F399 HydrophobicContact CD2-CE2 4.11Å; W383-F399 HydrophobicContact CD2-CG 4.14Å; W383-F399 AromaticContact CD2-CZ 3.71Å; W383-F399 HydrophobicContact CD2-CZ 3.71Å; W383-F399 AromaticContact CE2-CD1 3.61Å; W383-F399 AromaticContact CE2-CE1 3.57Å; W383-F399 AromaticContact CE3-CE1 3.98Å; W383-F399 HydrophobicContact CE3-CE1 3.98Å; W383-F399 HydrophobicContact CE3-CE2 4.44Å; W383-F399 AromaticContact CE3-CZ 3.86Å; W383-F399 HydrophobicContact CE3-CZ 3.86Å; W383-F399 HydrophobicContact CG-CB 4.14Å; W383-F399 AromaticContact CG-CD1 3.61Å; W383-F399 HydrophobicContact CG-CD1 3.61Å; W383-F399 AromaticContact CG-CD2 3.59Å; W383-F399 HydrophobicContact CG-CD2 3.59Å; W383-F399 AromaticContact CG-CE1 3.78Å; W383-F399 HydrophobicContact CG-CE1 3.78Å; W383-F399 AromaticContact CG-CE2 3.77Å; W383-F399 HydrophobicContact CG-CE2 3.77Å; W383-F399 AromaticContact CG-CG 3.49Å; W383-F399 HydrophobicContact CG-CG 3.49Å; W383-F399 VanDerWaalsContact CG-CG 3.49Å; W383-F399 AromaticContact CG-CZ 3.85Å; W383-F399 HydrophobicContact CG-CZ 3.85Å; W383-F399 HydrophobicContact CH2-CE1 4.42Å; W383-F399 HydrophobicContact CZ2-CD1 4.32Å; W383-F399 HydrophobicContact CZ2-CE1 4.01Å; W383-F399 HydrophobicContact CZ3-CE1 4.42Å; W383-F399 HydrophobicContact CZ3-CZ 4.5Å; W383-F399 AromaticContact NE1-CD1 3.41Å; W383-F399 AromaticContact NE1-CE1 3.9Å; W383-F399 AromaticContact NE1-CG 3.83Å; W383-H479 AromaticContact CZ2-CE1 3.77Å; W383-H479 AromaticContact CZ2-NE2 3.87Å
384S91.3Very high73.5Confident0 Ų050.7 Ų50.70%028%0.277CS..EExtended strand (participates in β ladder)trans-84.3116.5173.9-55.60000109.9V351 L352 F392 N393V351-S384 WeakPolarHBondContact CA-O 3.33Å; L352-S384 PolarHBondContact N-O 3.28Å; L352-S384 PolarHBondContact O-N 2.9Å; S384-F392 CarbonylContact C-O 3.43Å; S384-F392 WeakPolarHBondContact CA-O 3.25Å; S384-N393 WeakPolarHBondContact CB-OD1 3.39Å; S384-N393 PolarHBondContact OG-OD1 2.58Å
385V92.7Very high76Confident0 Ų048 Ų480%026%0.264CS..EExtended strand (participates in β ladder)trans-93.4104.5170.6-176.70000107.6I349 V351 V391 F392 V394 I404 L411I349-V385 HydrophobicContact CG2-CG1 4Å; V351-V385 HydrophobicContact CG1-CG2 4.36Å; V351-V385 HydrophobicContact CG2-CG1 4.46Å; V385-V391 WeakPolarHBondContact O-CA 3.47Å; V385-F392 PolarHBondContact N-O 2.69Å; V385-F392 PolarHBondContact O-N 2.72Å; V385-V394 HydrophobicContact CG2-CG2 4.37Å; V385-I404 HydrophobicContact CG1-CG2 3.71Å; V385-I404 HydrophobicContact CG2-CD1 4.04Å; V385-I404 HydrophobicContact CG2-CG2 4.1Å; V385-L411 HydrophobicContact CB-CD1 4.26Å; V385-L411 HydrophobicContact CG1-CD1 3.96Å
386C92.9Very high78.3Confident3 Ų342.3 Ų42.32%0.0223%0.228CC..EExtended strand (participates in β ladder)trans-101.8103.7-173.8-49.10000110.2Q99 I349 A350 V391Q99-C386 HydrophobicContact CB-CB 4.08Å; Q99-C386 HydrophobicContact CG-CB 3.72Å; I349-C386 VanDerWaalsContact CG2-O 3.3Å; I349-C386 WeakPolarHBondContact CG2-O 3.38Å; A350-C386 HydrophobicContact CB-CB 4.34Å; A350-C386 PolarHBondContact N-O 2.83Å; A350-C386 PolarHBondContact O-N 3.49Å; C386-V391 HydrophobicContact CB-CG2 4.27Å
387N92.2Very high80.5Confident18 Ų1842.3 Ų42.310%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-116.785.9-179.9178.532.9000110.3H347 I349 I389 D390 G406H347-N387 PolarHBondContact NE2-OD1 3.01Å; I349-N387 HydrophobicContact CD1-CB 4.02Å; I349-N387 HydrophobicContact CG1-CB 4.36Å; I349-N387 HydrophobicContact CG2-CB 4.33Å; N387-I389 PolarHBondContact O-N 2.92Å; N387-I389 VanDerWaalsContact O-N 3.13Å; N387-D390 CarbonylContact C-O 3.57Å; N387-D390 WeakPolarHBondContact CA-O 3.36Å; N387-D390 HydrophobicContact CB-CB 4.42Å; N387-D390 PolarHBondContact N-O 2.79Å; N387-D390 PolarHBondContact O-N 3.18Å; N387-G406 PolarHBondContact ND2-O 3.48Å
388D93Very high82.7Confident24 Ų2438.5 Ų38.513%0.12821%0.207CC..THydrogen-bonded Turntrans51-118-173.7-62.7-41.3000111G84 L85 N87 N95 H347 D390G84-D388 CarbonylContact C-O 3.56Å; G84-D388 WeakPolarHBondContact CA-O 3.35Å; L85-D388 PolarHBondContact N-O 2.7Å; L85-D388 CarbonylContact O-C 3.48Å; L85-D388 VanDerWaalsContact O-CA 3.27Å; L85-D388 WeakPolarHBondContact O-CA 3.22Å; L85-D388 WeakPolarHBondContact O-CB 3.45Å; N87-D388 HydrophobicContact CB-CB 3.99Å; N87-D388 WeakPolarHBondContact CB-OD2 3.48Å; N87-D388 PolarHBondContact ND2-OD2 3.3Å; N95-D388 PolarHBondContact ND2-OD1 2.78Å; H347-D388 IonicContact CE1-OD2 3.9Å; H347-D388 PolarHBondContact CE1-OD2 2.72Å; H347-D388 VanDerWaalsContact CE1-OD2 3.23Å; H347-D388 IonicContact NE2-OD2 2.85Å; D388-D390 VanDerWaalsContact C-N 3.28Å; D388-D390 PolarHBondContact O-N 3.21Å
389I90Very high84.9Confident81 Ų8133.4 Ų33.442%0.41519%0.185SC..THydrogen-bonded Turntrans-72.3-21.2179.662.7173.3000112.9L85 I141 N387L85-I389 PolarHBondContact O-N 2.77Å; L85-I389 VanDerWaalsContact O-N 3.12Å; I141-I389 HydrophobicContact CG2-CG2 4.16Å; N387-I389 PolarHBondContact O-N 2.92Å; N387-I389 VanDerWaalsContact O-N 3.13Å
390D88.1Confident87.3Confident66 Ų6632.8 Ų32.835%0.35318%0.176SC..EExtended strand (participates in β ladder)trans-94.2110.2-176.1-65.3-40.1000110N387 D388 F392N387-D390 CarbonylContact C-O 3.57Å; N387-D390 WeakPolarHBondContact CA-O 3.36Å; N387-D390 HydrophobicContact CB-CB 4.42Å; N387-D390 PolarHBondContact N-O 2.79Å; N387-D390 PolarHBondContact O-N 3.18Å; D388-D390 VanDerWaalsContact C-N 3.28Å; D388-D390 PolarHBondContact O-N 3.21Å; D390-F392 HydrophobicContact CB-CE2 3.61Å; D390-F392 HydrophobicContact CB-CZ 3.91Å
391V88.6Confident88.7Confident22 Ų2231.2 Ų31.213%0.13316%0.159CC..EExtended strand (participates in β ladder)trans-117.9125.2174.9-174.30000109.9R82 V385 C386R82-V391 HydrophobicContact CB-CG1 3.87Å; R82-V391 WeakPolarHBondContact O-CB 3.39Å; V385-V391 WeakPolarHBondContact O-CA 3.47Å; C386-V391 HydrophobicContact CB-CG2 4.27Å
392F86Confident89.3Confident27 Ų2732.3 Ų32.312%0.11818%0.175CC..EExtended strand (participates in β ladder)trans-122.3132.8-179.9-55.9-79.9000110.9S384 V385 D390 A408 L411S384-F392 CarbonylContact C-O 3.43Å; S384-F392 WeakPolarHBondContact CA-O 3.25Å; V385-F392 PolarHBondContact N-O 2.69Å; V385-F392 PolarHBondContact O-N 2.72Å; D390-F392 HydrophobicContact CB-CE2 3.61Å; D390-F392 HydrophobicContact CB-CZ 3.91Å; F392-A408 HydrophobicContact CE1-CB 4.23Å; F392-A408 HydrophobicContact CE2-CB 3.71Å; F392-A408 HydrophobicContact CZ-CB 3.28Å; F392-L411 HydrophobicContact CB-CD1 4.28Å; F392-L411 HydrophobicContact CD2-CD1 3.5Å; F392-L411 VanDerWaalsContact CD2-CD1 3.5Å; F392-L411 HydrophobicContact CE2-CD1 4.13Å; F392-L411 HydrophobicContact CG-CD1 4.07Å
393N86.8Confident89.3Confident6 Ų637.2 Ų37.23%0.03220%0.197CC..EExtended strand (participates in β ladder)trans-94.3129.4171.6-64.9-31.9000110.1H80 C382 W383 S384H80-N393 PolarHBondContact O-ND2 2.6Å; C382-N393 HydrophobicContact CB-CB 4.47Å; W383-N393 CarbonylContact O-C 3.56Å; W383-N393 WeakPolarHBondContact O-CA 3.42Å; S384-N393 WeakPolarHBondContact CB-OD1 3.39Å; S384-N393 PolarHBondContact OG-OD1 2.58Å
394V87Confident89.1Confident0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-114.1118.8176.2-178.70000108.3C382 W383 V385 S396 Q398 F399 L415C382-V394 CarbonylContact C-O 3.41Å; C382-V394 VanDerWaalsContact CA-O 3.26Å; C382-V394 WeakPolarHBondContact CA-O 3.31Å; C382-V394 WeakPolarHBondContact CB-O 3.37Å; W383-V394 PolarHBondContact N-O 2.83Å; W383-V394 PolarHBondContact O-N 2.82Å; V385-V394 HydrophobicContact CG2-CG2 4.37Å; V394-S396 PolarHBondContact O-N 2.92Å; V394-Q398 HydrophobicContact CG1-CB 4.31Å; V394-F399 HydrophobicContact CB-CD2 4.15Å; V394-F399 HydrophobicContact CG1-CB 3.96Å; V394-F399 HydrophobicContact CG1-CD2 4.16Å; V394-L415 HydrophobicContact CG1-CD2 4.02Å; V394-L415 HydrophobicContact CG2-CD2 4.4Å
395P87.1Confident88.4Confident30 Ų3040.9 Ų40.920%0.19522%0.216CC..EExtended strand (participates in β ladder)trans-52.1139.2174.4-28.336.9000111.9N397 Q398 F399P395-N397 WeakPolarHBondContact CB-OD1 3.47Å; P395-N397 PolarHBondContact O-N 2.72Å; P395-N397 VanDerWaalsContact O-N 3.16Å; P395-Q398 CarbonylContact O-C 3.53Å; P395-Q398 WeakPolarHBondContact O-CA 3.32Å; P395-Q398 PolarHBondContact O-N 3.5Å; P395-F399 PolarHBondContact O-N 3.35Å
396S86.4Confident87.1Confident21 Ų2141.1 Ų41.115%0.14722%0.218CC..THydrogen-bonded Turntrans-61.6-28.7-172-69.10000114.1E381 C382 V394 Q398 F399E381-S396 VanDerWaalsContact CB-OG 3.27Å; E381-S396 WeakPolarHBondContact CB-OG 3.42Å; E381-S396 VanDerWaalsContact O-CB 3.26Å; E381-S396 WeakPolarHBondContact O-CB 3.34Å; E381-S396 PolarHBondContact O-N 2.86Å; E381-S396 PolarHBondContact O-OG 2.84Å; C382-S396 PolarHBondContact N-OG 3.04Å; V394-S396 PolarHBondContact O-N 2.92Å; S396-Q398 VanDerWaalsContact C-N 3.29Å; S396-F399 PolarHBondContact O-N 2.88Å
397N83.9Confident85.9Confident124 Ų12443.2 Ų43.266%0.66323%0.233SC*.THydrogen-bonded Turntrans-69.7-24.6173.361.9-25.4000113.2P395P395-N397 WeakPolarHBondContact CB-OD1 3.47Å; P395-N397 PolarHBondContact O-N 2.72Å; P395-N397 VanDerWaalsContact O-N 3.16Å
398Q85.2Confident84.5Confident51 Ų5143.6 Ų43.624%0.23824%0.239CC..THydrogen-bonded Turntrans-101-3.5177-63.4-179.9500112.5V394 P395 S396 K400 Y414V394-Q398 HydrophobicContact CG1-CB 4.31Å; P395-Q398 CarbonylContact O-C 3.53Å; P395-Q398 WeakPolarHBondContact O-CA 3.32Å; P395-Q398 PolarHBondContact O-N 3.5Å; S396-Q398 VanDerWaalsContact C-N 3.29Å; Q398-K400 PolarHBondContact O-N 3.46Å; Q398-Y414 WeakPolarHBondContact O-CE1 3.16Å; Q398-Y414 PolarHBondContact O-OH 3.49Å
399F89.3Confident83.3Confident16 Ų1650.1 Ų50.17%0.0727%0.266CS..  trans-78.8125.8-174.8179.2-104000112.1V351 W383 V394 P395 S396 L401 I404 H479V351-F399 HydrophobicContact CG1-CE2 3.61Å; V351-F399 HydrophobicContact CG1-CZ 3.48Å; V351-F399 VanDerWaalsContact CG1-CZ 3.48Å; W383-F399 HydrophobicContact CB-CB 4.47Å; W383-F399 HydrophobicContact CB-CD1 4.37Å; W383-F399 HydrophobicContact CB-CD2 3.41Å; W383-F399 VanDerWaalsContact CB-CD2 3.41Å; W383-F399 HydrophobicContact CB-CE1 4.49Å; W383-F399 HydrophobicContact CB-CE2 3.57Å; W383-F399 HydrophobicContact CB-CG 3.83Å; W383-F399 HydrophobicContact CB-CZ 4.11Å; W383-F399 AromaticContact CD1-CD1 3.43Å; W383-F399 VanDerWaalsContact CD1-CD1 3.43Å; W383-F399 AromaticContact CD1-CD2 3.89Å; W383-F399 AromaticContact CD1-CG 3.33Å; W383-F399 AromaticContact CD2-CD1 3.76Å; W383-F399 HydrophobicContact CD2-CD1 3.76Å; W383-F399 HydrophobicContact CD2-CD2 4.32Å; W383-F399 AromaticContact CD2-CE1 3.52Å; W383-F399 HydrophobicContact CD2-CE1 3.52Å; W383-F399 HydrophobicContact CD2-CE2 4.11Å; W383-F399 HydrophobicContact CD2-CG 4.14Å; W383-F399 AromaticContact CD2-CZ 3.71Å; W383-F399 HydrophobicContact CD2-CZ 3.71Å; W383-F399 AromaticContact CE2-CD1 3.61Å; W383-F399 AromaticContact CE2-CE1 3.57Å; W383-F399 AromaticContact CE3-CE1 3.98Å; W383-F399 HydrophobicContact CE3-CE1 3.98Å; W383-F399 HydrophobicContact CE3-CE2 4.44Å; W383-F399 AromaticContact CE3-CZ 3.86Å; W383-F399 HydrophobicContact CE3-CZ 3.86Å; W383-F399 HydrophobicContact CG-CB 4.14Å; W383-F399 AromaticContact CG-CD1 3.61Å; W383-F399 HydrophobicContact CG-CD1 3.61Å; W383-F399 AromaticContact CG-CD2 3.59Å; W383-F399 HydrophobicContact CG-CD2 3.59Å; W383-F399 AromaticContact CG-CE1 3.78Å; W383-F399 HydrophobicContact CG-CE1 3.78Å; W383-F399 AromaticContact CG-CE2 3.77Å; W383-F399 HydrophobicContact CG-CE2 3.77Å; W383-F399 AromaticContact CG-CG 3.49Å; W383-F399 HydrophobicContact CG-CG 3.49Å; W383-F399 VanDerWaalsContact CG-CG 3.49Å; W383-F399 AromaticContact CG-CZ 3.85Å; W383-F399 HydrophobicContact CG-CZ 3.85Å; W383-F399 HydrophobicContact CH2-CE1 4.42Å; W383-F399 HydrophobicContact CZ2-CD1 4.32Å; W383-F399 HydrophobicContact CZ2-CE1 4.01Å; W383-F399 HydrophobicContact CZ3-CE1 4.42Å; W383-F399 HydrophobicContact CZ3-CZ 4.5Å; W383-F399 AromaticContact NE1-CD1 3.41Å; W383-F399 AromaticContact NE1-CE1 3.9Å; W383-F399 AromaticContact NE1-CG 3.83Å; V394-F399 HydrophobicContact CB-CD2 4.15Å; V394-F399 HydrophobicContact CG1-CB 3.96Å; V394-F399 HydrophobicContact CG1-CD2 4.16Å; P395-F399 PolarHBondContact O-N 3.35Å; S396-F399 PolarHBondContact O-N 2.88Å; F399-L401 HydrophobicContact CE1-CB 4.04Å; F399-L401 HydrophobicContact CZ-CB 4.03Å; F399-L401 HydrophobicContact CZ-CD1 3.98Å; F399-I404 HydrophobicContact CD2-CD1 4.48Å; F399-I404 HydrophobicContact CE2-CD1 4.13Å; F399-I404 HydrophobicContact CE2-CG1 3.97Å; F399-H479 AromaticContact CD1-CE1 3.95Å; F399-H479 AromaticContact CD1-ND1 3.9Å; F399-H479 AromaticContact CE1-CE1 3.94Å; F399-H479 AromaticContact CE1-ND1 3.62Å
400K91.3Very high82.2Confident121 Ų12148.3 Ų48.353%0.52626%0.261SS..  trans-133.9103.8171-67.1-172.2179.3-170.80110Q398 A402 K403 Y414Q398-K400 PolarHBondContact O-N 3.46Å; K400-A402 PolarHBondContact O-N 2.97Å; K400-A402 VanDerWaalsContact O-N 3.09Å; K400-K403 HydrophobicContact CB-CB 4.46Å; K400-K403 HydrophobicContact CB-CD 4.33Å; K400-K403 HydrophobicContact CB-CG 4.33Å; K400-K403 HydrophobicContact CD-CD 4.41Å; K400-K403 PolarHBondContact O-N 2.88Å; K400-Y414 WeakPolarHBondContact CB-OH 3.29Å; K400-Y414 WeakPolarHBondContact CG-OH 3.45Å
401L92.9Very high81.2Confident3 Ų345.2 Ų45.22%0.01624%0.244CC..G310 helixtrans-51.5-37-178.9-174.664.4000113.1L291 V335 L337 V351 F399 K403 I404 H479 S480L291-L401 HydrophobicContact CD1-CD2 3.97Å; V335-L401 HydrophobicContact CB-CD1 4.42Å; V335-L401 HydrophobicContact CG1-CD2 4.37Å; V335-L401 HydrophobicContact CG2-CD2 4.07Å; L337-L401 HydrophobicContact CD1-CD1 4.49Å; L337-L401 HydrophobicContact CD2-CD1 4.28Å; V351-L401 HydrophobicContact CB-CD1 4.38Å; V351-L401 HydrophobicContact CG1-CD1 4.21Å; V351-L401 HydrophobicContact CG2-CD1 4.37Å; F399-L401 HydrophobicContact CE1-CB 4.04Å; F399-L401 HydrophobicContact CZ-CB 4.03Å; F399-L401 HydrophobicContact CZ-CD1 3.98Å; L401-K403 PolarHBondContact O-N 3.33Å; L401-K403 VanDerWaalsContact O-N 3.14Å; L401-I404 PolarHBondContact O-N 3.39Å; L401-I404 VanDerWaalsContact O-N 3.14Å; L401-H479 HydrophobicContact CB-CB 4.05Å; L401-H479 HydrophobicContact CD2-CB 3.85Å; L401-S480 CarbonylContact C-O 3.56Å
402A90.7Very high80.2Confident63 Ų6349 Ų4952%0.52126%0.261SS..G310 helixtrans-63.3-19.8179.900000114.4K400 S480K400-A402 PolarHBondContact O-N 2.97Å; K400-A402 VanDerWaalsContact O-N 3.09Å; A402-S480 VanDerWaalsContact CA-O 3.24Å; A402-S480 WeakPolarHBondContact CA-O 3.44Å; A402-S480 WeakPolarHBondContact CB-O 3.47Å; A402-S480 PolarHBondContact N-O 2.92Å
403K88.2Confident79.4Confident104 Ų10451.4 Ų51.445%0.45228%0.277SS..G310 helixtrans-97.6-5.8-179.9-67.2-174.4172-171.70113.2K400 L401 N405 Y414K400-K403 HydrophobicContact CB-CB 4.46Å; K400-K403 HydrophobicContact CB-CD 4.33Å; K400-K403 HydrophobicContact CB-CG 4.33Å; K400-K403 HydrophobicContact CD-CD 4.41Å; K400-K403 PolarHBondContact O-N 2.88Å; L401-K403 PolarHBondContact O-N 3.33Å; L401-K403 VanDerWaalsContact O-N 3.14Å; K403-N405 PolarHBondContact O-N 3.22Å; K403-Y414 HydrophobicContact CB-CD2 4.23Å; K403-Y414 HydrophobicContact CB-CE2 4.2Å; K403-Y414 HydrophobicContact CD-CD2 3.46Å; K403-Y414 VanDerWaalsContact CD-CD2 3.46Å; K403-Y414 HydrophobicContact CD-CE2 3.08Å; K403-Y414 HydrophobicContact CD-CG 4.5Å; K403-Y414 HydrophobicContact CG-CD2 4.49Å; K403-Y414 HydrophobicContact CG-CE2 4.26Å
404I87.2Confident78.7Confident6 Ų651.9 Ų51.93%0.03128%0.279CS..  trans-79.6117.3179.6-52.2-56.5000109.6L337 V351 V385 F399 L401 L411L337-I404 HydrophobicContact CD1-CB 4.2Å; L337-I404 HydrophobicContact CD1-CG2 3.88Å; V351-I404 HydrophobicContact CG2-CG2 4.03Å; V385-I404 HydrophobicContact CG1-CG2 3.71Å; V385-I404 HydrophobicContact CG2-CD1 4.04Å; V385-I404 HydrophobicContact CG2-CG2 4.1Å; F399-I404 HydrophobicContact CD2-CD1 4.48Å; F399-I404 HydrophobicContact CE2-CD1 4.13Å; F399-I404 HydrophobicContact CE2-CG1 3.97Å; L401-I404 PolarHBondContact O-N 3.39Å; L401-I404 VanDerWaalsContact O-N 3.14Å; I404-L411 HydrophobicContact CD1-CD2 3.57Å
405N76.1Confident77.9Confident73 Ų7352.8 Ų52.839%0.3928%0.283SS..  trans-12810.4-179.775.36.4000113.9I339 K403 S407 S410I339-N405 WeakPolarHBondContact CD1-O 3.36Å; K403-N405 PolarHBondContact O-N 3.22Å; N405-S407 VanDerWaalsContact C-N 3.35Å; N405-S407 PolarHBondContact O-N 2.79Å; N405-S407 PolarHBondContact OD1-N 2.96Å; N405-S407 PolarHBondContact OD1-OG 3.35Å; N405-S410 VanDerWaalsContact ND2-CB 3.34Å; N405-S410 WeakPolarHBondContact ND2-CB 3.47Å; N405-S410 PolarHBondContact ND2-OG 2.84Å; N405-S410 VanDerWaalsContact ND2-OG 3.09Å; N405-S410 WeakPolarHBondContact OD1-CB 3.49Å; N405-S410 PolarHBondContact OD1-OG 3.49Å
406G65.6Low77Confident4 Ų455.2 Ų55.24%0.04130%0.298CS..SBendtrans86.5-28.517300000117.9N387N387-G406 PolarHBondContact ND2-O 3.48Å
407S69.4Low75.8Confident48 Ų4857.5 Ų57.534%0.33631%0.311SS..  trans-79.6130.7-177.868.50000112.2N405 K409 S410 L411N405-S407 VanDerWaalsContact C-N 3.35Å; N405-S407 PolarHBondContact O-N 2.79Å; N405-S407 PolarHBondContact OD1-N 2.96Å; N405-S407 PolarHBondContact OD1-OG 3.35Å; S407-K409 PolarHBondContact O-N 3.13Å; S407-S410 PolarHBondContact O-N 3.04Å; S407-S410 WeakPolarHBondContact OG-CB 3.46Å; S407-S410 PolarHBondContact OG-N 2.67Å; S407-S410 PolarHBondContact OG-OG 3.37Å; S407-L411 PolarHBondContact O-N 3.12Å
408A62.2Low74.4Confident25 Ų2552.8 Ų52.821%0.20729%0.287CS..Hα-helixtrans-48.3-46174.400000112.5F392 S410 L411 Q412F392-A408 HydrophobicContact CE1-CB 4.23Å; F392-A408 HydrophobicContact CE2-CB 3.71Å; F392-A408 HydrophobicContact CZ-CB 3.28Å; A408-S410 PolarHBondContact O-N 3.08Å; A408-L411 PolarHBondContact O-N 3.28Å; A408-Q412 WeakPolarHBondContact O-CG 3.32Å; A408-Q412 PolarHBondContact O-N 2.79Å
409K66.4Low72.7Confident161 Ų16155 Ų5570%0.730%0.297SS*.Hα-helixtrans-63.9-39.5179.8-171172.7-176.1172.60113.1S407 T413S407-K409 PolarHBondContact O-N 3.13Å; K409-T413 WeakPolarHBondContact O-CB 3.43Å; K409-T413 PolarHBondContact O-N 2.75Å; K409-T413 PolarHBondContact O-OG1 2.92Å
410S68.1Low70.4Confident44 Ų4459 Ų5931%0.30832%0.323SS..Hα-helixtrans-70.1-35.7176.6-630000111.3N405 S407 A408 T413 Y414N405-S410 VanDerWaalsContact ND2-CB 3.34Å; N405-S410 WeakPolarHBondContact ND2-CB 3.47Å; N405-S410 PolarHBondContact ND2-OG 2.84Å; N405-S410 VanDerWaalsContact ND2-OG 3.09Å; N405-S410 WeakPolarHBondContact OD1-CB 3.49Å; N405-S410 PolarHBondContact OD1-OG 3.49Å; S407-S410 PolarHBondContact O-N 3.04Å; S407-S410 WeakPolarHBondContact OG-CB 3.46Å; S407-S410 PolarHBondContact OG-N 2.67Å; S407-S410 PolarHBondContact OG-OG 3.37Å; A408-S410 PolarHBondContact O-N 3.08Å; S410-T413 PolarHBondContact O-N 3.18Å; S410-Y414 VanDerWaalsContact O-CB 3.24Å; S410-Y414 WeakPolarHBondContact O-CB 3.45Å; S410-Y414 PolarHBondContact O-N 3.14Å
411L67.5Low67.7Low1 Ų157.7 Ų57.71%0.00533%0.325CS..Hα-helixtrans-67.2-45.2175-72.2169.3000111.9V385 F392 I404 S407 A408 T413 Y414 L415V385-L411 HydrophobicContact CB-CD1 4.26Å; V385-L411 HydrophobicContact CG1-CD1 3.96Å; F392-L411 HydrophobicContact CB-CD1 4.28Å; F392-L411 HydrophobicContact CD2-CD1 3.5Å; F392-L411 VanDerWaalsContact CD2-CD1 3.5Å; F392-L411 HydrophobicContact CE2-CD1 4.13Å; F392-L411 HydrophobicContact CG-CD1 4.07Å; I404-L411 HydrophobicContact CD1-CD2 3.57Å; S407-L411 PolarHBondContact O-N 3.12Å; A408-L411 PolarHBondContact O-N 3.28Å; L411-T413 VanDerWaalsContact C-N 3.34Å; L411-T413 PolarHBondContact O-N 2.93Å; L411-Y414 WeakPolarHBondContact O-CB 3.38Å; L411-Y414 PolarHBondContact O-N 2.69Å; L411-Y414 VanDerWaalsContact O-N 3.12Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 2.96Å
412Q66.7Low64.6Low102 Ų10264 Ų6448%0.47736%0.359SS..Hα-helixtrans-60.1-44173.6-76177-13.800111.8A408 Y414 L415 T416A408-Q412 WeakPolarHBondContact O-CG 3.32Å; A408-Q412 PolarHBondContact O-N 2.79Å; Q412-Y414 VanDerWaalsContact C-N 3.28Å; Q412-Y414 PolarHBondContact O-N 2.97Å; Q412-L415 PolarHBondContact O-N 3.07Å; Q412-T416 WeakPolarHBondContact O-CB 3.43Å; Q412-T416 WeakPolarHBondContact O-CG2 3.47Å; Q412-T416 PolarHBondContact O-N 3.02Å; Q412-T416 PolarHBondContact O-OG1 2.83Å
413T70.5Confident61.7Low77 Ų7765.9 Ų65.947%0.47237%0.369SS..Hα-helixtrans-62.2-39.5175-52.40000110.8K409 S410 L411 T416 T417K409-T413 WeakPolarHBondContact O-CB 3.43Å; K409-T413 PolarHBondContact O-N 2.75Å; K409-T413 PolarHBondContact O-OG1 2.92Å; S410-T413 PolarHBondContact O-N 3.18Å; L411-T413 VanDerWaalsContact C-N 3.34Å; L411-T413 PolarHBondContact O-N 2.93Å; T413-T416 WeakPolarHBondContact CA-OG1 3.39Å; T413-T416 PolarHBondContact O-OG1 2.77Å; T413-T417 VanDerWaalsContact O-CG2 3.23Å; T413-T417 WeakPolarHBondContact O-CG2 3.37Å; T413-T417 PolarHBondContact O-N 2.94Å; T413-T417 VanDerWaalsContact O-N 3.1Å; T413-T417 PolarHBondContact O-OG1 3.45Å
414Y71.6Confident58.7Low15 Ų1565.5 Ų65.56%0.05938%0.379CS..Hα-helixtrans-62.6-51.7177168.7-117.4000111.9Q398 K400 K403 S410 L411 Q412 T416 T417 T418Q398-Y414 WeakPolarHBondContact O-CE1 3.16Å; Q398-Y414 PolarHBondContact O-OH 3.49Å; K400-Y414 WeakPolarHBondContact CB-OH 3.29Å; K400-Y414 WeakPolarHBondContact CG-OH 3.45Å; K403-Y414 HydrophobicContact CB-CD2 4.23Å; K403-Y414 HydrophobicContact CB-CE2 4.2Å; K403-Y414 HydrophobicContact CD-CD2 3.46Å; K403-Y414 VanDerWaalsContact CD-CD2 3.46Å; K403-Y414 HydrophobicContact CD-CE2 3.08Å; K403-Y414 HydrophobicContact CD-CG 4.5Å; K403-Y414 HydrophobicContact CG-CD2 4.49Å; K403-Y414 HydrophobicContact CG-CE2 4.26Å; S410-Y414 VanDerWaalsContact O-CB 3.24Å; S410-Y414 WeakPolarHBondContact O-CB 3.45Å; S410-Y414 PolarHBondContact O-N 3.14Å; L411-Y414 WeakPolarHBondContact O-CB 3.38Å; L411-Y414 PolarHBondContact O-N 2.69Å; L411-Y414 VanDerWaalsContact O-N 3.12Å; Q412-Y414 VanDerWaalsContact C-N 3.28Å; Q412-Y414 PolarHBondContact O-N 2.97Å; Y414-T416 PolarHBondContact O-N 3.47Å; Y414-T417 PolarHBondContact O-N 3.25Å; Y414-T417 PolarHBondContact O-OG1 3.31Å; Y414-T418 HydrophobicContact CD2-CG2 4.42Å; Y414-T418 HydrophobicContact CE2-CG2 3.81Å; Y414-T418 PolarHBondContact O-N 3.36Å; Y414-T418 PolarHBondContact O-OG1 2.99Å
415L69.3Low55.6Low19 Ų1972 Ų7210%0.09941%0.412CS..Hα-helixtrans-64-41.2-178.5-66.7171000112.2L78 V394 L411 Q412 T417 T418 E419L78-L415 HydrophobicContact CD2-CD1 3.96Å; V394-L415 HydrophobicContact CG1-CD2 4.02Å; V394-L415 HydrophobicContact CG2-CD2 4.4Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 2.96Å; Q412-L415 PolarHBondContact O-N 3.07Å; L415-T417 PolarHBondContact O-N 2.87Å; L415-T418 WeakPolarHBondContact CA-OG1 3.46Å; L415-T418 PolarHBondContact O-N 3.38Å; L415-T418 PolarHBondContact O-OG1 2.98Å; L415-E419 PolarHBondContact O-N 3.22Å
416T68.7Low53Low81 Ų8175.2 Ų75.250%0.49743%0.429SS..Hα-helixtrans-65.3-36.4175.949.20000112.7Q412 T413 Y414 T418Q412-T416 WeakPolarHBondContact O-CB 3.43Å; Q412-T416 WeakPolarHBondContact O-CG2 3.47Å; Q412-T416 PolarHBondContact O-N 3.02Å; Q412-T416 PolarHBondContact O-OG1 2.83Å; T413-T416 WeakPolarHBondContact CA-OG1 3.39Å; T413-T416 PolarHBondContact O-OG1 2.77Å; Y414-T416 PolarHBondContact O-N 3.47Å; T416-T418 VanDerWaalsContact C-N 3.34Å; T416-T418 PolarHBondContact O-N 2.99Å
417T61.9Low51.1Low70 Ų7082.7 Ų82.743%0.42947%0.468SS..Hα-helixtrans-68-31.5176.257.30000113.4T413 Y414 L415 T420T413-T417 VanDerWaalsContact O-CG2 3.23Å; T413-T417 WeakPolarHBondContact O-CG2 3.37Å; T413-T417 PolarHBondContact O-N 2.94Å; T413-T417 VanDerWaalsContact O-N 3.1Å; T413-T417 PolarHBondContact O-OG1 3.45Å; Y414-T417 PolarHBondContact O-N 3.25Å; Y414-T417 PolarHBondContact O-OG1 3.31Å; L415-T417 PolarHBondContact O-N 2.87Å; T417-T420 PolarHBondContact O-OG1 2.93Å
418T54.4Low48.8Very low25 Ų2586 Ų8615%0.15349%0.486CS..Hα-helixtrans-73-30179.239.90000113.1Y414 L415 T416 T420 T421Y414-T418 HydrophobicContact CD2-CG2 4.42Å; Y414-T418 HydrophobicContact CE2-CG2 3.81Å; Y414-T418 PolarHBondContact O-N 3.36Å; Y414-T418 PolarHBondContact O-OG1 2.99Å; L415-T418 WeakPolarHBondContact CA-OG1 3.46Å; L415-T418 PolarHBondContact O-N 3.38Å; L415-T418 PolarHBondContact O-OG1 2.98Å; T416-T418 VanDerWaalsContact C-N 3.34Å; T416-T418 PolarHBondContact O-N 2.99Å; T418-T420 VanDerWaalsContact C-N 3.34Å; T418-T420 PolarHBondContact O-N 2.82Å; T418-T421 PolarHBondContact O-OG1 3.28Å; T418-T421 VanDerWaalsContact O-OG1 3.09Å
419E48.8Very low46.7Very low97 Ų9794.8 Ų94.845%0.45352%0.519SS..Hα-helixtrans-68.7-32.4175.7-69.6-178169.500112.4L415 T421L415-E419 PolarHBondContact O-N 3.22Å; E419-T421 VanDerWaalsContact C-N 3.28Å; E419-T421 PolarHBondContact O-N 2.95Å
420T40.9Very low44.7Very low99 Ų9992.4 Ų92.461%0.60752%0.523SS*.Hα-helixtrans-71.7-16.3-178.760.30000114.8T417 T418T417-T420 PolarHBondContact O-OG1 2.93Å; T418-T420 VanDerWaalsContact C-N 3.34Å; T418-T420 PolarHBondContact O-N 2.82Å
421T34.1Very low42.6Very low94 Ų9497.4 Ų97.458%0.57755%0.547SS*.Hα-helixtrans-92.1-23.4-177.949.10000114T418 E419T418-T421 PolarHBondContact O-OG1 3.28Å; T418-T421 VanDerWaalsContact O-OG1 3.09Å; E419-T421 VanDerWaalsContact C-N 3.28Å; E419-T421 PolarHBondContact O-N 2.95Å
422D29.2Very low40.4Very low136 Ų136105.8 Ų105.873%0.72759%0.586SS**Hα-helixtrans-98.4-9.5-173.7-73.1-13.1000114.1S424D422-S424 PolarHBondContact O-N 2.99Å
423S28.3Very low38.8Very low103 Ų103106 Ų10672%0.7260%0.596SS**SBendtrans-8520176.465.90000114.5
424S25.3Very low36.6Very low96 Ų96107.8 Ų107.867%0.67161%0.611SS**  trans-10837.4-179.6-51.40000113.2D422D422-S424 PolarHBondContact O-N 2.99Å
425I23.3Very low34.3Very low142 Ų142114 Ų11473%0.72864%0.641SS**SBendtrans-136.7110.1170.6-58.7-179.9000109.1
426N21.3Very low32Very low140 Ų140121.5 Ų121.575%0.74967%0.673SS**  trans73.4102.2166.2-57.3-28.4000118.5
427L24.6Very low29.7Very low162 Ų162123.6 Ų123.685%0.84869%0.69SS**  -167.7116.1103.2-112.2101.2000111.6
428T21.2Very low27.7Very low117 Ų117125.5 Ų125.572%0.71871%0.706SS**  trans19.7117.8148.554.10000122.6
429K18.9Very low26.2Very low209 Ų209129.3 Ų129.391%0.90973%0.734SS**  39.3112.8129-65.7-179.6177.91780120.1
430S24Very low24.9Very low112 Ų112134.9 Ų134.978%0.78375%0.75SS**  -167.7109.2124.660.50000112.1
431D23.8Very low24.1Very low149 Ų149140 Ų14080%0.79776%0.759SS**  trans38.1120.8139.3-66.6-44000124.8
432Q22.3Very low23.6Very low176 Ų176141 Ų14182%0.82277%0.769SS**  87.5148124.8-70.3-103.3-17.700120.7
433P32.9Very low23.4Very low106 Ų106139.7 Ų139.769%0.68878%0.777SS**  -128.3165.3-120.441.9-29.6000115.8
434S24.6Very low23.2Very low115 Ų115145 Ų14580%0.80479%0.787SS**  trans-146.6112.4153.254.80000113.8
435E23Very low22.9Very low145 Ų145149 Ų14968%0.67879%0.793SS**  trans55114.7136.3-58-158.1125.100123.6
436K20.3Very low23Very low177 Ų177154.2 Ų154.277%0.7780%0.803SS**  64.7135.2127.6-63.2168-178.7153.70116.6
437C21.5Very low23Very low126 Ų126158.1 Ų158.185%0.85181%0.808SS**  cis-161.7137.227.9-163.40000110.4
438S19.7Very low22.7Very low110 Ų110158.9 Ų158.977%0.76981%0.807SS**  trans-60.3150.6170.9-59.50000113.8
439S23Very low22.8Very low105 Ų105161 Ų16173%0.73481%0.813SS**  176.7132.9109.646.60000115.9
440R21.9Very low23Very low214 Ų214156.7 Ų156.781%0.80881%0.805SS**  trans74.7131.3146.6-70.9172.2-179.6-1681.1116.9
441R22.6Very low22.8Very low206 Ų206155.9 Ų155.978%0.77780%0.799SS**  cis-167.7138.825.8-113.9161.4-179.7-177.6-0.7110.4
442S23.7Very low22.8Very low114 Ų114153.2 Ų153.280%0.79779%0.792SS**  trans66.885.5137.1-49.40000121
443A24.7Very low22.8Very low109 Ų109151.3 Ų151.390%0.90179%0.788SS**PPolyproline II helixtrans-90.2131.2152.600000110.5
444K24.6Very low22.1Very low214 Ų214152.4 Ų152.493%0.9379%0.788SS**PPolyproline II helixtrans-94.5126.7176.4-110178.3178.1176.40110.4
445K20.3Very low22.1Very low181 Ų181154.7 Ų154.779%0.78779%0.79SS**PPolyproline II helixtrans-49144.2172.2-89.7170163.3168.60116.1
446R24Very low22Very low252 Ų252152.5 Ų152.595%0.95179%0.791SS**  trans-145.391.6135.7-92.2-174.1158.7-169.7-6.5106.4
447R20.6Very low21.9Very low222 Ų222153.1 Ų153.184%0.83879%0.794SS**  51.9102.298-79.9-165.5173.9170.3-0.4115.1
448H19.9Very low21.9Very low178 Ų178152.7 Ų152.782%0.82479%0.787SS**  trans-56.4152.5155.5-79.6-87.1000112.4
449D23.7Very low22Very low160 Ų160153.6 Ų153.686%0.85678%0.783SS**  trans-136.6120.7137.6-83-39.7000109.6
450T22.7Very low22Very low119 Ų119156 Ų15673%0.7379%0.787SS**  trans-16.9161.5139.239.10000117
451S20.3Very low22.2Very low96 Ų96153.5 Ų153.567%0.67179%0.79SS**  cis176.4174.1-7.952.40000105.7
452S22.8Very low22.1Very low93 Ų93152.6 Ų152.665%0.6580%0.795SS**  trans81.6112.9148.938.20000122.1
453N21.3Very low22.2Very low136 Ų136152.5 Ų152.573%0.72779%0.794SS**  90.1116.4118.3-71.725.2000122.6
454D19.5Very low22.2Very low128 Ų128159.1 Ų159.168%0.68480%0.796SS**  73.9143.3119.7-65.2-33.8000123.2
455L23.8Very low22.2Very low163 Ų163156.2 Ų156.285%0.85379%0.79SS**  trans88.7136.2159.2-47.7177.8000115.5
456S21.1Very low22.7Very low99 Ų99158.1 Ų158.169%0.69279%0.794SS**  cis179.8140.2-10.447.80000106.6
457F17.5Very low22.8Very low190 Ų190152.6 Ų152.683%0.83379%0.788SS**  trans18.3124.7141.9-97.2-93.8000121.1
458T22Very low23.1Very low117 Ų117146.4 Ų146.472%0.71878%0.784SS**  171.3128.9102.839.40000113.1
459D21.8Very low23.5Very low129 Ų129142.1 Ų142.169%0.6977%0.772SS**  trans71.2115.7133.7-60.7-14.9000124.2
460L22.7Very low23.7Very low156 Ų156143.8 Ų143.882%0.81777%0.772SS**  trans67108.7132.7-57.4168.3000118.7
461D25.9Very low23.8Very low161 Ų161144.4 Ų144.486%0.86178%0.78SS**  -164.3141104.3-132.4-20.7000112.5S463D461-S463 PolarHBondContact O-N 3.5Å
462E20.7Very low24.3Very low188 Ų188144.8 Ų144.888%0.87977%0.773SS**  trans-79.1108.3-179.5-69.3177.4148.100110.7
463S26.9Very low25.2Very low111 Ų111143.3 Ų143.378%0.77676%0.763SS**  trans-152.6138.7151.560.90000111.4D461 D465D461-S463 PolarHBondContact O-N 3.5Å; S463-D465 PolarHBondContact O-N 2.77Å
464R24.7Very low26.4Very low249 Ų249143.9 Ų143.994%0.9476%0.761SS**  trans-51.5110.7-172.9-68.7162.8165.9170-6112.2
465D24.4Very low28Very low152 Ų152143.9 Ų143.981%0.81376%0.761SS**  trans-124.9131.4160.5-102.8-29.5000110.5S463 T467S463-D465 PolarHBondContact O-N 2.77Å; D465-T467 PolarHBondContact O-N 2.93Å
466Y29.9Very low29.8Very low222 Ų222141.1 Ų141.187%0.87175%0.747SS**  trans-47.6132179.4-75.1-96.7000110.3A468Y466-A468 PolarHBondContact O-N 3.15Å
467T27.2Very low32.7Very low135 Ų135139 Ų13983%0.82873%0.728SS**  trans-46.8100.7170.2440000109.9D465 P469D465-T467 PolarHBondContact O-N 2.93Å; T467-P469 VanDerWaalsContact O-CD 3.29Å; T467-P469 WeakPolarHBondContact O-CD 3.41Å
468A25.7Very low36.4Very low92 Ų92131.1 Ų131.176%0.7669%0.693SS**  trans-60.1117.7168.400000107.3Y466 K470Y466-A468 PolarHBondContact O-N 3.15Å; A468-K470 PolarHBondContact O-N 3.5Å
469P29.6Very low39.8Very low88 Ų88126.5 Ų126.557%0.57166%0.663SS**  trans-59.8136.5178-17.729.6000109T467 C471T467-P469 VanDerWaalsContact O-CD 3.29Å; T467-P469 WeakPolarHBondContact O-CD 3.41Å; P469-C471 PolarHBondContact O-N 3.43Å; P469-C471 VanDerWaalsContact O-N 3.16Å
470K26.5Very low43.3Very low196 Ų196122.4 Ų122.485%0.85264%0.644SS**  trans-44.9124173.9-79.8173.2176.7168.70109.3A468 I472A468-K470 PolarHBondContact O-N 3.5Å; K470-I472 PolarHBondContact O-N 2.9Å
471C25.2Very low46.7Very low132 Ų132115.2 Ų115.289%0.89261%0.607SS**  trans-47102.2-175.8-66.60000112.5P469P469-C471 PolarHBondContact O-N 3.43Å; P469-C471 VanDerWaalsContact O-N 3.16Å
472I31.1Very low49.9Very low103 Ų103110.3 Ų110.353%0.52858%0.583SS.*  trans-57.6138.6153.1-64.7169.9000106K470 Q474 D476K470-I472 PolarHBondContact O-N 2.9Å; I472-Q474 PolarHBondContact O-N 2.92Å; I472-D476 HydrophobicContact CG2-CB 4.16Å
473S41.7Very low53.3Low63 Ų63103.2 Ų103.244%0.44155%0.551SS.*  trans-52.6130.3-178.587.20000109.9D475 D476S473-D475 PolarHBondContact O-N 3.16Å; S473-D476 PolarHBondContact O-N 2.98Å; S473-D476 PolarHBondContact OG-OD2 3.35Å
474Q46.3Very low56.5Low147 Ų14798 Ų9869%0.68752%0.515SS*.THydrogen-bonded Turntrans-59.6-17.4-172.6-150.4173.8400112.9I472I472-Q474 PolarHBondContact O-N 2.92Å
475D53.5Low59.9Low128 Ų12886.3 Ų86.368%0.68447%0.471SS*.THydrogen-bonded Turntrans-81-25.8178.3-77.7-27000114.2S473 L477 W478S473-D475 PolarHBondContact O-N 3.16Å; D475-L477 PolarHBondContact O-N 2.94Å; D475-W478 PolarHBondContact O-N 3.48Å
476D60.7Low63.3Low105 Ų10579.1 Ų79.156%0.56143%0.432SS*.THydrogen-bonded Turntrans-73.1-7.8-178.3-73.4-41.2000113.6I472 S473I472-D476 HydrophobicContact CG2-CB 4.16Å; S473-D476 PolarHBondContact O-N 2.98Å; S473-D476 PolarHBondContact OG-OD2 3.35Å
477L83.2Confident66.5Low56 Ų5668.5 Ų68.529%0.29339%0.391SS..THydrogen-bonded Turntrans-923.6179.3-76.1150.1000113.2D293 D475D293-L477 WeakPolarHBondContact CB-O 3.49Å; D293-L477 PolarHBondContact N-O 2.9Å; D475-L477 PolarHBondContact O-N 2.94Å
478W93.7Very high69.9Low24 Ų2462.1 Ų62.19%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-131.7132.4-175.8-6989.2000112.2P224 R290 L291 P292 E313 H314 D475P224-W478 HydrophobicContact CG-CH2 4.16Å; R290-W478 HydrophobicContact CB-CD2 4.49Å; R290-W478 HydrophobicContact CB-CE3 3.61Å; R290-W478 HydrophobicContact CB-CZ3 3.98Å; R290-W478 VanDerWaalsContact NH2-NE1 3.2Å; L291-W478 WeakPolarHBondContact O-CA 3.34Å; P292-W478 HydrophobicContact CB-CD2 4.3Å; P292-W478 HydrophobicContact CB-CE3 3.93Å; P292-W478 HydrophobicContact CB-CH2 3.92Å; P292-W478 HydrophobicContact CB-CZ2 4.24Å; P292-W478 HydrophobicContact CB-CZ3 3.77Å; P292-W478 HydrophobicContact CG-CH2 4.34Å; P292-W478 HydrophobicContact CG-CZ3 4.07Å; E313-W478 HydrophobicContact CB-CZ2 3.98Å; E313-W478 VanDerWaalsContact CD-CZ2 3.44Å; E313-W478 HydrophobicContact CG-CH2 3.94Å; E313-W478 HydrophobicContact CG-CZ2 3.54Å; H314-W478 AromaticContact CD2-CE2 3.6Å; H314-W478 AromaticContact CD2-CZ2 3.51Å; H314-W478 AromaticContact CD2-NE1 3.78Å; H314-W478 AromaticContact CE1-CE2 3.72Å; H314-W478 AromaticContact CE1-CZ2 3.72Å; H314-W478 AromaticContact CE1-NE1 3.32Å; H314-W478 PolarHBondContact CE1-NE1 2.77Å; H314-W478 VanDerWaalsContact CE1-NE1 3.32Å; H314-W478 AromaticContact CG-CZ2 3.81Å; H314-W478 AromaticContact ND1-CZ2 3.94Å; H314-W478 AromaticContact NE2-CD1 3.65Å; H314-W478 AromaticContact NE2-CE2 3.18Å; H314-W478 AromaticContact NE2-CZ2 3.45Å; H314-W478 WeakPolarHBondContact NE2-CZ2 3.33Å; H314-W478 AromaticContact NE2-NE1 2.88Å; H314-W478 PolarHBondContact NE2-NE1 3.48Å; D475-W478 PolarHBondContact O-N 3.48Å
479H95.1Very high73.3Confident20 Ų2057.7 Ų57.79%0.09332%0.315CS..EExtended strand (participates in β ladder)trans-100.4146169.7-57.1-82.2000109.2R290 L291 D293 L332 W383 F399 L401R290-H479 CarbonylContact C-O 3.46Å; R290-H479 VanDerWaalsContact CA-O 3.31Å; R290-H479 WeakPolarHBondContact CA-O 3.34Å; L291-H479 HydrophobicContact CB-CB 4.37Å; L291-H479 PolarHBondContact N-O 3.5Å; L291-H479 PolarHBondContact O-N 3.37Å; D293-H479 IonicContact OD1-CD2 2.83Å; D293-H479 IonicContact OD1-CE1 3.13Å; D293-H479 IonicContact OD1-NE2 2.82Å; D293-H479 PolarHBondContact OD1-NE2 2.81Å; L332-H479 HydrophobicContact CD2-CB 4.23Å; L332-H479 WeakPolarHBondContact CD2-CD2 3.22Å; W383-H479 AromaticContact CZ2-CE1 3.77Å; W383-H479 AromaticContact CZ2-NE2 3.87Å; F399-H479 AromaticContact CD1-CE1 3.95Å; F399-H479 AromaticContact CD1-ND1 3.9Å; F399-H479 AromaticContact CE1-CE1 3.94Å; F399-H479 AromaticContact CE1-ND1 3.62Å; L401-H479 HydrophobicContact CB-CB 4.05Å; L401-H479 HydrophobicContact CD2-CB 3.85Å
480S94.6Very high76.3Confident42 Ų4255.3 Ų55.329%0.29430%0.296SS..EExtended strand (participates in β ladder)trans-127.8144.6174.9600000111.6I289 L401 A402I289-S480 VanDerWaalsContact O-CA 3.29Å; I289-S480 WeakPolarHBondContact O-CA 3.48Å; L401-S480 CarbonylContact C-O 3.56Å; A402-S480 VanDerWaalsContact CA-O 3.24Å; A402-S480 WeakPolarHBondContact CA-O 3.44Å; A402-S480 WeakPolarHBondContact CB-O 3.47Å; A402-S480 PolarHBondContact N-O 2.92Å
481S94.4Very high79.5Confident5 Ų546 Ų464%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-154.4138.1179.5-173.70000112.7R272 S288 I289 N483 A484R272-S481 PolarHBondContact NH2-O 3.16Å; S288-S481 WeakPolarHBondContact CA-O 3.5Å; I289-S481 PolarHBondContact N-O 3.32Å; I289-S481 PolarHBondContact O-N 3.38Å; S481-N483 PolarHBondContact OG-N 3.27Å; S481-N483 VanDerWaalsContact OG-N 3.12Å; S481-A484 PolarHBondContact OG-N 3.04Å
482T91.9Very high82.5Confident59 Ų5942.4 Ų42.436%0.36223%0.229SC..SBendtrans-89.9-11.9168.954.70000112.5K286K286-T482 WeakPolarHBondContact O-CG2 3.23Å
483N93.1Very high85Confident39 Ų3941.1 Ų41.121%0.20922%0.224CC..SBendtrans-118-6.5-172.7-67.7-42000113.7K284 L337 H338 S481 Y485K284-N483 PolarHBondContact NZ-OD1 3.38Å; K284-N483 VanDerWaalsContact NZ-OD1 3.12Å; L337-N483 WeakPolarHBondContact CA-O 3.12Å; L337-N483 HydrophobicContact CD2-CB 4.37Å; H338-N483 PolarHBondContact N-O 2.92Å; S481-N483 PolarHBondContact OG-N 3.27Å; S481-N483 VanDerWaalsContact OG-N 3.12Å; N483-Y485 PolarHBondContact O-N 3.18Å
484A95Very high86.4Confident0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-56.2120.1173.900000109.7L270 R272 L291 V335 L337 S481 V487L270-A484 HydrophobicContact CD1-CB 4.15Å; L270-A484 WeakPolarHBondContact CD1-O 3.49Å; R272-A484 WeakPolarHBondContact CD-O 3.46Å; R272-A484 PolarHBondContact NE-O 3.33Å; L291-A484 HydrophobicContact CD1-CB 4.44Å; V335-A484 HydrophobicContact CG1-CB 3.68Å; L337-A484 HydrophobicContact CD2-CB 4.31Å; S481-A484 PolarHBondContact OG-N 3.04Å; A484-V487 HydrophobicContact CB-CG2 4.44Å
485Y94.2Very high87Confident5 Ų535.6 Ų35.62%0.0220%0.197CC..EExtended strand (participates in β ladder)trans-114.3-41.4-174.8-174.8-127.7000111.6D160 A161 P162 L270 F273 L336 H338 Y348 N483D160-Y485 PolarHBondContact OD1-OH 2.83Å; D160-Y485 VanDerWaalsContact OD1-OH 3.05Å; A161-Y485 HydrophobicContact CB-CD1 4.36Å; A161-Y485 HydrophobicContact CB-CE1 3.99Å; P162-Y485 HydrophobicContact CG-CE1 3.72Å; L270-Y485 PolarHBondContact N-O 2.77Å; F273-Y485 AromaticContact CD2-CE2 3.77Å; F273-Y485 HydrophobicContact CD2-CE2 3.77Å; F273-Y485 HydrophobicContact CE2-CD2 4.17Å; F273-Y485 AromaticContact CE2-CE2 3.5Å; F273-Y485 HydrophobicContact CE2-CE2 3.5Å; F273-Y485 AromaticContact CE2-CZ 3.77Å; L336-Y485 PolarHBondContact O-N 2.82Å; H338-Y485 HydrophobicContact CB-CD1 4.29Å; H338-Y485 HydrophobicContact CB-CG 4.1Å; Y348-Y485 AromaticContact CE1-CD1 3.76Å; Y348-Y485 HydrophobicContact CE1-CD1 3.76Å; Y348-Y485 AromaticContact CE1-CE1 3.98Å; Y348-Y485 HydrophobicContact CE1-CE1 3.98Å; N483-Y485 PolarHBondContact O-N 3.18Å
486M97Very high86.9Confident0 Ų036.1 Ų36.10%020%0.2CC..EExtended strand (participates in β ladder)trans-126.4146.8163.4-57.8177.370.800110.2F97 P162 H165 E213 I268 L336 F488F97-M486 HydrophobicContact CE1-CE 4.34Å; F97-M486 HydrophobicContact CE1-SD 3.79Å; F97-M486 HydrophobicContact CZ-CE 4.49Å; F97-M486 HydrophobicContact CZ-SD 3.55Å; F97-M486 VanDerWaalsContact CZ-SD 3.55Å; P162-M486 HydrophobicContact CB-CE 4.42Å; P162-M486 HydrophobicContact CB-SD 4.11Å; P162-M486 HydrophobicContact CG-CG 4.21Å; P162-M486 HydrophobicContact CG-SD 3.9Å; H165-M486 HydrophobicContact CB-CE 4.21Å; E213-M486 WeakPolarHBondContact OE2-CE 3.24Å; I268-M486 CarbonylContact O-C 3.48Å; I268-M486 WeakPolarHBondContact O-CA 3.16Å; L336-M486 HydrophobicContact CB-CB 3.94Å; L336-M486 HydrophobicContact CD2-CB 4.24Å; L336-M486 HydrophobicContact CD2-CG 4.12Å; L336-M486 HydrophobicContact CD2-SD 3.9Å; L336-M486 PolarHBondContact N-O 2.83Å; L336-M486 PolarHBondContact O-N 3.37Å; M486-F488 HydrophobicContact CB-CE2 3.77Å; M486-F488 HydrophobicContact CB-CZ 4.01Å; M486-F488 HydrophobicContact CE-CE1 4.48Å; M486-F488 HydrophobicContact CE-CZ 3.95Å; M486-F488 HydrophobicContact SD-CZ 4.46Å
487V97.8Very high86.5Confident0 Ų034.1 Ų34.10%019%0.189CC..EExtended strand (participates in β ladder)trans-129.4135-177.6-171.70000108.5I268 L270 L291 L332 A484 Y489I268-V487 HydrophobicContact CB-CB 4.38Å; I268-V487 PolarHBondContact N-O 3.04Å; I268-V487 PolarHBondContact O-N 3.01Å; L270-V487 HydrophobicContact CD1-CG2 4.09Å; L270-V487 HydrophobicContact CG-CG2 4.49Å; L291-V487 HydrophobicContact CD1-CG1 4.05Å; L291-V487 HydrophobicContact CD1-CG2 3.95Å; L291-V487 HydrophobicContact CD2-CG1 4.47Å; L291-V487 HydrophobicContact CD2-CG2 4.06Å; L332-V487 HydrophobicContact CD1-CG1 3.38Å; A484-V487 HydrophobicContact CB-CG2 4.44Å; V487-Y489 HydrophobicContact CG1-CD2 3.9Å; V487-Y489 HydrophobicContact CG1-CE2 3.46Å; V487-Y489 VanDerWaalsContact CG1-CE2 3.46Å
488F97.3Very high85.3Confident0 Ų036.8 Ų36.80%020%0.204CC..EExtended strand (participates in β ladder)trans-122.2126.7-174.8-59.3-93.3000109.6F97 L100 F104 C267 C333 G334 L336 M486F97-F488 HydrophobicContact CE1-CZ 4.22Å; L100-F488 HydrophobicContact CD1-CD2 4.15Å; L100-F488 HydrophobicContact CD1-CE2 3.51Å; L100-F488 HydrophobicContact CD1-CZ 3.93Å; L100-F488 HydrophobicContact CD2-CD2 3.57Å; L100-F488 HydrophobicContact CD2-CE2 3.83Å; L100-F488 HydrophobicContact CD2-CG 4.08Å; L100-F488 HydrophobicContact CG-CE2 4.32Å; F104-F488 HydrophobicContact CE2-CD1 4.42Å; F104-F488 HydrophobicContact CZ-CB 4.34Å; F104-F488 AromaticContact CZ-CD1 3.8Å; F104-F488 HydrophobicContact CZ-CD1 3.8Å; F104-F488 HydrophobicContact CZ-CE1 4.42Å; F104-F488 HydrophobicContact CZ-CG 4.18Å; C267-F488 HydrophobicContact CB-CD1 4.19Å; C267-F488 HydrophobicContact CB-CE1 4.11Å; C267-F488 WeakPolarHBondContact SG-CD1 3.2Å; C267-F488 VanDerWaalsContact SG-CE1 3.59Å; C333-F488 PolarHBondContact N-O 3.44Å; C333-F488 VanDerWaalsContact SG-C 3.58Å; C333-F488 PolarHBondContact SG-O 3.4Å; G334-F488 PolarHBondContact N-O 2.99Å; G334-F488 PolarHBondContact O-N 3.42Å; L336-F488 HydrophobicContact CB-CE2 4.23Å; M486-F488 HydrophobicContact CB-CE2 3.77Å; M486-F488 HydrophobicContact CB-CZ 4.01Å; M486-F488 HydrophobicContact CE-CE1 4.48Å; M486-F488 HydrophobicContact CE-CZ 3.95Å; M486-F488 HydrophobicContact SD-CZ 4.46Å
489Y96.8Very high84Confident0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-121.8126-178.3-88.3-81.5000109L223 L265 L266 I268 P292 L295 R331 L332 V487L223-Y489 HydrophobicContact CD2-CD2 4.38Å; L223-Y489 HydrophobicContact CD2-CE2 3.42Å; L223-Y489 VanDerWaalsContact CD2-CE2 3.42Å; L265-Y489 CarbonylContact C-O 3.41Å; L265-Y489 WeakPolarHBondContact CA-O 3.42Å; L266-Y489 PolarHBondContact N-O 3.22Å; L266-Y489 PolarHBondContact O-N 2.88Å; I268-Y489 HydrophobicContact CD1-CD2 4.24Å; P292-Y489 WeakPolarHBondContact CD-OH 3.46Å; P292-Y489 WeakPolarHBondContact O-CE1 3.44Å; P292-Y489 PolarHBondContact O-OH 3.49Å; L295-Y489 HydrophobicContact CB-CD1 3.98Å; L295-Y489 HydrophobicContact CB-CE1 3.72Å; L295-Y489 HydrophobicContact CD2-CD1 4.47Å; L295-Y489 HydrophobicContact CD2-CD2 4.28Å; L295-Y489 HydrophobicContact CD2-CE2 4.32Å; L295-Y489 HydrophobicContact CD2-CG 4.36Å; R331-Y489 VanDerWaalsContact C-CD1 3.46Å; R331-Y489 WeakPolarHBondContact O-CA 3.48Å; L332-Y489 HydrophobicContact CB-CD1 4.22Å; L332-Y489 HydrophobicContact CB-CE1 3.66Å; L332-Y489 HydrophobicContact CD1-CD2 4.31Å; L332-Y489 HydrophobicContact CD1-CE1 4.13Å; L332-Y489 HydrophobicContact CD1-CE2 3.83Å; L332-Y489 HydrophobicContact CG-CE1 4.5Å; V487-Y489 HydrophobicContact CG1-CD2 3.9Å; V487-Y489 HydrophobicContact CG1-CE2 3.46Å; V487-Y489 VanDerWaalsContact CG1-CE2 3.46Å
490E93.7Very high83Confident37 Ų3747 Ų4717%0.17326%0.256CS..EExtended strand (participates in β ladder)trans-102.1136.1177.5-176.7173-157.900109.1L265 Y330 R331 C333 V492L265-E490 HydrophobicContact CD1-CB 4.44Å; Y330-E490 CarbonylContact C-O 3.56Å; Y330-E490 WeakPolarHBondContact CA-O 3.34Å; R331-E490 PolarHBondContact N-O 3.43Å; R331-E490 PolarHBondContact O-N 3.25Å; C333-E490 HydrophobicContact CB-CB 3.96Å; E490-V492 PolarHBondContact O-N 2.85Å
491S93Very high82.6Confident0 Ų046 Ų460%025%0.247CC..EExtended strand (participates in β ladder)trans-64.8135.1178.8178.70000110.8P264 R328 A329 D493 N494P264-S491 WeakPolarHBondContact O-CB 3.35Å; P264-S491 PolarHBondContact O-N 3.01Å; R328-S491 VanDerWaalsContact CZ-CB 3.43Å; R328-S491 PolarHBondContact NE-OG 3.28Å; R328-S491 PolarHBondContact NH1-OG 2.79Å; R328-S491 PolarHBondContact NH2-OG 3.5Å; R328-S491 VanDerWaalsContact NH2-OG 3.15Å; A329-S491 WeakPolarHBondContact O-CA 3.3Å; A329-S491 PolarHBondContact O-OG 3.36Å; S491-D493 PolarHBondContact O-N 3.31Å; S491-D493 PolarHBondContact OG-N 2.8Å; S491-N494 PolarHBondContact O-N 3.11Å
492V89.4Confident82.4Confident57 Ų5749.7 Ų49.735%0.34528%0.278SS..G310 helixtrans-60.2-30.3177.8-178.90000111.4L294 A329 R331 E490 N494 C495L294-V492 HydrophobicContact CD2-CG2 4.25Å; A329-V492 HydrophobicContact CB-CB 4.31Å; A329-V492 HydrophobicContact CB-CG2 4.03Å; A329-V492 PolarHBondContact O-N 3.2Å; R331-V492 HydrophobicContact CB-CG2 4.27Å; E490-V492 PolarHBondContact O-N 2.85Å; V492-N494 VanDerWaalsContact C-N 3.28Å; V492-N494 PolarHBondContact O-N 2.88Å; V492-C495 VanDerWaalsContact O-CB 3.3Å; V492-C495 WeakPolarHBondContact O-CB 3.46Å; V492-C495 PolarHBondContact O-N 3Å
493D82.3Confident82.4Confident77 Ų7747.4 Ų47.441%0.41226%0.264SS..G310 helixtrans-69.4-26177.7-53.5-39.6000112.6R328 S491R328-D493 IonicContact CZ-OD2 2.7Å; R328-D493 IonicContact NH1-OD2 2.64Å; R328-D493 PolarHBondContact NH1-OD2 3.37Å; S491-D493 PolarHBondContact O-N 3.31Å; S491-D493 PolarHBondContact OG-N 2.8Å
494N71.7Confident82.4Confident40 Ų4047.8 Ų47.821%0.21427%0.269CS..G310 helixtrans-83-12.2176.8-89.346.1000113.3E106 P264 R328 S491 V492 N496 L497E106-N494 PolarHBondContact OE1-ND2 3.28Å; P264-N494 VanDerWaalsContact CB-ND2 3.31Å; P264-N494 WeakPolarHBondContact CB-ND2 3.24Å; R328-N494 PolarHBondContact NH2-OD1 2.86Å; S491-N494 PolarHBondContact O-N 3.11Å; V492-N494 VanDerWaalsContact C-N 3.28Å; V492-N494 PolarHBondContact O-N 2.88Å; N494-N496 PolarHBondContact O-N 2.87Å; N494-L497 PolarHBondContact O-N 3.36Å
495C59.4Low82.3Confident53 Ų5352.5 Ų52.536%0.35830%0.302SS..G310 helixtrans-60.1-14.6179.7-67.20000113.8V492 L497V492-C495 VanDerWaalsContact O-CB 3.3Å; V492-C495 WeakPolarHBondContact O-CB 3.46Å; V492-C495 PolarHBondContact O-N 3Å; C495-L497 PolarHBondContact O-N 3.16Å
496N50.9Low82.1Confident140 Ų14058.8 Ų58.875%0.74934%0.336SS*.G310 helixtrans-74.10.9-178.7-70.6-29000114.9N494 D498N494-N496 PolarHBondContact O-N 2.87Å; N496-D498 PolarHBondContact O-N 3.19Å
497L52.9Low81.8Confident62 Ų6259.4 Ų59.433%0.32534%0.339SS..  trans-73.566.4163.1-69.1174.2000109.9K105 E106 N494 C495 E499K105-L497 HydrophobicContact CD-CB 4.35Å; K105-L497 PolarHBondContact NZ-O 3.47Å; E106-L497 HydrophobicContact CG-CD1 3.48Å; E106-L497 VanDerWaalsContact CG-CD1 3.48Å; E106-L497 WeakPolarHBondContact OE1-CD1 3.33Å; N494-L497 PolarHBondContact O-N 3.36Å; C495-L497 PolarHBondContact O-N 3.16Å; L497-E499 PolarHBondContact O-N 2.91Å
498D56.6Low81.5Confident112 Ų11264.9 Ų64.960%0.59936%0.36SS*.  trans-74.6-7.2172-99.5-27.4000112.6K357 N496 D500K357-D498 PolarHBondContact NZ-O 2.97Å; N496-D498 PolarHBondContact O-N 3.19Å; D498-D500 PolarHBondContact O-N 3.31Å
499E67.6Low81.2Confident142 Ų14271.1 Ų71.166%0.66439%0.387SS*.SBendtrans-66.8125.8172.5-67.7-171.9168.600110.8L497 I501L497-E499 PolarHBondContact O-N 2.91Å; E499-I501 PolarHBondContact O-N 2.84Å
500D74.2Confident80.8Confident116 Ų11673.8 Ų73.862%0.6240%0.403SS*.  trans-73.9121.9171.4-64.1-37.9000108.4K357 D498 A502K357-D500 IonicContact NZ-OD1 3.07Å; K357-D500 PolarHBondContact NZ-OD1 2.77Å; K357-D500 IonicContact NZ-OD2 2.93Å; K357-D500 PolarHBondContact NZ-OD2 3.43Å; D498-D500 PolarHBondContact O-N 3.31Å; D500-A502 PolarHBondContact O-N 2.67Å; D500-A502 VanDerWaalsContact O-N 3.08Å
501I86.6Confident80.5Confident22 Ų2272.1 Ų72.111%0.11340%0.395CS..  trans-66.3110.1179.5-57.2-53.1000109K105 K109 Y112 Q135 E499K105-I501 HydrophobicContact CB-CG1 4.15Å; K109-I501 HydrophobicContact CB-CD1 3.9Å; K109-I501 HydrophobicContact CB-CG1 4.34Å; K109-I501 HydrophobicContact CB-CG2 4.11Å; K109-I501 HydrophobicContact CD-CD1 4.04Å; K109-I501 HydrophobicContact CG-CD1 4.25Å; Y112-I501 HydrophobicContact CD2-CG2 3.65Å; Y112-I501 HydrophobicContact CE2-CG2 3.91Å; Q135-I501 PolarHBondContact NE2-O 2.98Å; E499-I501 PolarHBondContact O-N 2.84Å
502A89.4Confident80.2Confident82 Ų8277.2 Ų77.268%0.67842%0.419SS*.PPolyproline II helixtrans-69.9137.1178.100000111.3D500D500-A502 PolarHBondContact O-N 2.67Å; D500-A502 VanDerWaalsContact O-N 3.08Å
503V91.8Very high80.1Confident11 Ų1179.5 Ų79.57%0.06743%0.426CS..PPolyproline II helixtrans-75.8129.3171.8-178.60000108.9Y112 Q135 L136 L507 R508Y112-V503 HydrophobicContact CE2-CG2 4.08Å; Q135-V503 HydrophobicContact CB-CG2 4.28Å; Q135-V503 HydrophobicContact CG-CG2 4.07Å; L136-V503 HydrophobicContact CD1-CB 3.87Å; L136-V503 HydrophobicContact CD1-CG1 3.92Å; L136-V503 HydrophobicContact CD1-CG2 3.8Å; L136-V503 HydrophobicContact CD2-CG2 4.32Å; L136-V503 HydrophobicContact CG-CG2 3.92Å; V503-L507 HydrophobicContact CG1-CB 3.81Å; V503-R508 HydrophobicContact CG1-CB 4.49Å
504P93.5Very high80.1Confident47 Ų4778.5 Ų78.531%0.30542%0.423SS..PPolyproline II helixtrans-50.4144174.6-29.134.6000113.3Y112 D506 L507 R508Y112-P504 HydrophobicContact CG-CG 4.32Å; P504-D506 VanDerWaalsContact C-N 3.31Å; P504-D506 PolarHBondContact O-N 2.79Å; P504-L507 HydrophobicContact CB-CD1 4.33Å; P504-L507 HydrophobicContact CG-CD1 4.13Å; P504-L507 PolarHBondContact O-N 3.37Å; P504-L507 VanDerWaalsContact O-N 3.16Å; P504-R508 PolarHBondContact O-N 3.11Å
505S91.5Very high80.5Confident100 Ų10077.4 Ų77.470%0.69942%0.417SS*.Hα-helixtrans-56.9-40.4-172.8-53.30000113.6R508 K509S505-R508 PolarHBondContact O-N 2.79Å; S505-K509 PolarHBondContact O-N 3.44Å
506D90.7Very high81.6Confident137 Ų13779.4 Ų79.473%0.73342%0.424SS*.Hα-helixtrans-66.2-41-179.9-63.5-23000112P504 T510P504-D506 VanDerWaalsContact C-N 3.31Å; P504-D506 PolarHBondContact O-N 2.79Å; D506-T510 PolarHBondContact O-N 3.35Å; D506-T510 VanDerWaalsContact O-N 3.14Å; D506-T510 PolarHBondContact O-OG1 2.89Å
507L91.5Very high83Confident12 Ų1276.9 Ų76.96%0.06341%0.413CS..Hα-helixtrans-67.8-43.3174.9-69.8173000111Y112 Q128 L129 V503 P504 K509 T510 I511Y112-L507 HydrophobicContact CD1-CD1 4.14Å; Y112-L507 HydrophobicContact CE1-CD1 4.48Å; Q128-L507 HydrophobicContact CB-CD1 3.81Å; Q128-L507 HydrophobicContact CB-CD2 4.12Å; Q128-L507 HydrophobicContact CG-CD1 4.25Å; L129-L507 HydrophobicContact CD2-CD2 4.25Å; V503-L507 HydrophobicContact CG1-CB 3.81Å; P504-L507 HydrophobicContact CB-CD1 4.33Å; P504-L507 HydrophobicContact CG-CD1 4.13Å; P504-L507 PolarHBondContact O-N 3.37Å; P504-L507 VanDerWaalsContact O-N 3.16Å; L507-K509 VanDerWaalsContact C-N 3.33Å; L507-K509 PolarHBondContact O-N 3.35Å; L507-T510 WeakPolarHBondContact O-CB 3.27Å; L507-T510 PolarHBondContact O-N 2.76Å; L507-T510 VanDerWaalsContact O-N 3.12Å; L507-I511 WeakPolarHBondContact O-CG1 3.27Å; L507-I511 PolarHBondContact O-N 2.83Å
508R90.7Very high84.1Confident116 Ų11676.8 Ų76.844%0.43841%0.411SS..Hα-helixtrans-55.7-47.3176.9174.3-179.3-80.1-107.73.2111.5L136 V503 P504 S505 T510 I511 E512L136-R508 HydrophobicContact CD1-CB 4.16Å; L136-R508 HydrophobicContact CD1-CG 4.13Å; V503-R508 HydrophobicContact CG1-CB 4.49Å; P504-R508 PolarHBondContact O-N 3.11Å; S505-R508 PolarHBondContact O-N 2.79Å; R508-T510 VanDerWaalsContact C-N 3.33Å; R508-T510 PolarHBondContact O-N 2.88Å; R508-I511 PolarHBondContact O-N 3.12Å; R508-E512 WeakPolarHBondContact CG-OE1 3.13Å; R508-E512 WeakPolarHBondContact O-CG 3.39Å; R508-E512 PolarHBondContact O-N 3.13Å
509K91Very high84.8Confident130 Ų13075.7 Ų75.757%0.56540%0.402SS*.Hα-helixtrans-59.6-44.5176.5-173.9-175.3174.9-168.30111.6S505 L507 I511 E512 E513S505-K509 PolarHBondContact O-N 3.44Å; L507-K509 VanDerWaalsContact C-N 3.33Å; L507-K509 PolarHBondContact O-N 3.35Å; K509-I511 VanDerWaalsContact C-N 3.32Å; K509-I511 PolarHBondContact O-N 2.77Å; K509-E512 PolarHBondContact O-N 3.46Å; K509-E513 VanDerWaalsContact CE-OE1 3.29Å; K509-E513 WeakPolarHBondContact CE-OE1 3.39Å; K509-E513 WeakPolarHBondContact O-CG 3.32Å; K509-E513 PolarHBondContact O-N 2.71Å; K509-E513 VanDerWaalsContact O-N 3.08Å
510T88.8Confident85.3Confident57 Ų5774.5 Ų74.535%0.3540%0.397SS..Hα-helixtrans-59-43.6176.5-53.70000111.3L129 D506 L507 R508 E513 V514L129-T510 HydrophobicContact CD2-CG2 4.1Å; D506-T510 PolarHBondContact O-N 3.35Å; D506-T510 VanDerWaalsContact O-N 3.14Å; D506-T510 PolarHBondContact O-OG1 2.89Å; L507-T510 WeakPolarHBondContact O-CB 3.27Å; L507-T510 PolarHBondContact O-N 2.76Å; L507-T510 VanDerWaalsContact O-N 3.12Å; R508-T510 VanDerWaalsContact C-N 3.33Å; R508-T510 PolarHBondContact O-N 2.88Å; T510-E513 PolarHBondContact O-N 2.75Å; T510-V514 WeakPolarHBondContact O-CG2 3.28Å; T510-V514 PolarHBondContact O-N 2.75Å
511I87.3Confident85.5Confident1 Ų173.4 Ų73.41%0.00539%0.386CS..Hα-helixtrans-70.4-37.3179.5-59.9-37000112L129 S132 Q133 L136 L507 R508 K509 E513 V514 N515L129-I511 HydrophobicContact CD2-CD1 4.42Å; S132-I511 WeakPolarHBondContact OG-CD1 3.45Å; S132-I511 WeakPolarHBondContact OG-CG1 3.11Å; Q133-I511 HydrophobicContact CG-CD1 3.45Å; Q133-I511 VanDerWaalsContact CG-CD1 3.45Å; Q133-I511 HydrophobicContact CG-CG1 4.23Å; Q133-I511 HydrophobicContact CG-CG2 4.45Å; L136-I511 HydrophobicContact CB-CG2 4.04Å; L507-I511 WeakPolarHBondContact O-CG1 3.27Å; L507-I511 PolarHBondContact O-N 2.83Å; R508-I511 PolarHBondContact O-N 3.12Å; K509-I511 VanDerWaalsContact C-N 3.32Å; K509-I511 PolarHBondContact O-N 2.77Å; I511-E513 VanDerWaalsContact C-N 3.31Å; I511-E513 PolarHBondContact O-N 3.42Å; I511-V514 PolarHBondContact O-N 2.87Å; I511-N515 VanDerWaalsContact O-CB 3.28Å; I511-N515 WeakPolarHBondContact O-CB 3.38Å; I511-N515 PolarHBondContact O-N 2.82Å; I511-N515 PolarHBondContact O-ND2 2.58Å; I511-N515 PolarHBondContact O-OD1 2.83Å
512E86.9Confident84.8Confident107 Ų10775.9 Ų75.950%0.540%0.399SS..Hα-helixtrans-60.6-40.7174.2-73.6168.7-173.900111.7R508 K509 L516R508-E512 WeakPolarHBondContact CG-OE1 3.13Å; R508-E512 WeakPolarHBondContact O-CG 3.39Å; R508-E512 PolarHBondContact O-N 3.13Å; K509-E512 PolarHBondContact O-N 3.46Å; E512-L516 WeakPolarHBondContact O-CB 2.93Å; E512-L516 PolarHBondContact O-N 2.75Å
513E86.3Confident84.2Confident106 Ų10676.3 Ų76.350%0.49539%0.389SS..Hα-helixtrans-66.2-43.2174.7-70.4174.1-170.200112.4K509 T510 I511 L516 T517K509-E513 VanDerWaalsContact CE-OE1 3.29Å; K509-E513 WeakPolarHBondContact CE-OE1 3.39Å; K509-E513 WeakPolarHBondContact O-CG 3.32Å; K509-E513 PolarHBondContact O-N 2.71Å; K509-E513 VanDerWaalsContact O-N 3.08Å; T510-E513 PolarHBondContact O-N 2.75Å; I511-E513 VanDerWaalsContact C-N 3.31Å; I511-E513 PolarHBondContact O-N 3.42Å; E513-L516 PolarHBondContact O-N 3.23Å; E513-T517 PolarHBondContact O-N 2.8Å; E513-T517 PolarHBondContact O-OG1 2.8Å
514V83.1Confident83.6Confident56 Ų5678.1 Ų78.134%0.33940%0.403SS..Hα-helixtrans-63.7-45.4175.6171.90000111T510 I511 L516 T517 E518T510-V514 WeakPolarHBondContact O-CG2 3.28Å; T510-V514 PolarHBondContact O-N 2.75Å; I511-V514 PolarHBondContact O-N 2.87Å; V514-L516 VanDerWaalsContact C-N 3.32Å; V514-L516 PolarHBondContact O-N 2.86Å; V514-T517 PolarHBondContact O-N 2.67Å; V514-E518 PolarHBondContact O-N 3.12Å
515N79.8Confident82.6Confident16 Ų1680 Ų809%0.08641%0.407CS..Hα-helixtrans-60.7-42.3177.9-71.1-5.9000111.2L136 N137 I511 E518 Q519L136-N515 PolarHBondContact O-ND2 3.06Å; N137-N515 VanDerWaalsContact CG-OD1 3.29Å; N137-N515 PolarHBondContact OD1-OD1 2.8Å; I511-N515 VanDerWaalsContact O-CB 3.28Å; I511-N515 WeakPolarHBondContact O-CB 3.38Å; I511-N515 PolarHBondContact O-N 2.82Å; I511-N515 PolarHBondContact O-ND2 2.58Å; I511-N515 PolarHBondContact O-OD1 2.83Å; N515-E518 PolarHBondContact O-N 3.04Å; N515-Q519 VanDerWaalsContact O-CB 3.31Å; N515-Q519 WeakPolarHBondContact O-CB 3.48Å; N515-Q519 VanDerWaalsContact O-CG 3.25Å; N515-Q519 WeakPolarHBondContact O-CG 3.37Å; N515-Q519 PolarHBondContact O-N 2.99Å
516L81.9Confident81.7Confident96 Ų9680.5 Ų80.550%0.50340%0.399SS..Hα-helixtrans-64.4-43.1177.4-175.765.5000111.6E512 E513 V514 Q519 Q520E512-L516 WeakPolarHBondContact O-CB 2.93Å; E512-L516 PolarHBondContact O-N 2.75Å; E513-L516 PolarHBondContact O-N 3.23Å; V514-L516 VanDerWaalsContact C-N 3.32Å; V514-L516 PolarHBondContact O-N 2.86Å; L516-Q519 PolarHBondContact O-N 2.8Å; L516-Q520 WeakPolarHBondContact O-CG 3.35Å; L516-Q520 PolarHBondContact O-N 2.88Å
517T82.1Confident80.9Confident86 Ų8679.5 Ų79.553%0.52839%0.39SS..Hα-helixtrans-63.7-45.2177.8-54.10000111.1E513 V514 Q520 K521E513-T517 PolarHBondContact O-N 2.8Å; E513-T517 PolarHBondContact O-OG1 2.8Å; V514-T517 PolarHBondContact O-N 2.67Å; T517-Q520 PolarHBondContact O-N 2.75Å; T517-K521 WeakPolarHBondContact O-CB 3.48Å; T517-K521 PolarHBondContact O-N 3.32Å
518E74.7Confident80.1Confident61 Ų6183.9 Ų83.929%0.28541%0.413SS..Hα-helixtrans-69.9-35.8179.2-162.164-162.400111.5V514 N515 K521 L522V514-E518 PolarHBondContact O-N 3.12Å; N515-E518 PolarHBondContact O-N 3.04Å; E518-K521 PolarHBondContact O-N 3.23Å; E518-K521 IonicContact OE1-NZ 3.12Å; E518-K521 PolarHBondContact OE1-NZ 3.21Å; E518-K521 IonicContact OE2-NZ 3.84Å; E518-K521 PolarHBondContact OE2-NZ 2.93Å; E518-L522 HydrophobicContact CG-CD1 4.4Å; E518-L522 WeakPolarHBondContact O-CB 3.09Å; E518-L522 VanDerWaalsContact O-CG 3.26Å; E518-L522 WeakPolarHBondContact O-CG 3.11Å; E518-L522 PolarHBondContact O-N 2.74Å
519Q71.7Confident79.3Confident89 Ų8983.3 Ų83.342%0.41641%0.414SS..Hα-helixtrans-61.9-44171.7-80.2179.8-3.300112.1N515 L516 K521 L522 I523N515-Q519 VanDerWaalsContact O-CB 3.31Å; N515-Q519 WeakPolarHBondContact O-CB 3.48Å; N515-Q519 VanDerWaalsContact O-CG 3.25Å; N515-Q519 WeakPolarHBondContact O-CG 3.37Å; N515-Q519 PolarHBondContact O-N 2.99Å; L516-Q519 PolarHBondContact O-N 2.8Å; Q519-K521 VanDerWaalsContact C-N 3.33Å; Q519-K521 PolarHBondContact O-N 2.74Å; Q519-L522 PolarHBondContact O-N 3.37Å; Q519-I523 WeakPolarHBondContact O-CB 3.42Å; Q519-I523 WeakPolarHBondContact O-CD1 3.48Å; Q519-I523 WeakPolarHBondContact O-CG1 3.47Å; Q519-I523 PolarHBondContact O-N 2.85Å
520Q77.3Confident78.7Confident117 Ų11779.9 Ų79.955%0.54740%0.403SS..Hα-helixtrans-62.2-42.2175.5-73.9175.5-100111.5L516 T517 I523 S524L516-Q520 WeakPolarHBondContact O-CG 3.35Å; L516-Q520 PolarHBondContact O-N 2.88Å; T517-Q520 PolarHBondContact O-N 2.75Å; Q520-I523 PolarHBondContact O-N 3.17Å; Q520-S524 WeakPolarHBondContact O-CB 3.5Å; Q520-S524 PolarHBondContact O-N 3.44Å
521K78.7Confident78.1Confident92 Ų9281.9 Ų81.940%0.441%0.412SS..Hα-helixtrans-62.6-48.2175.3-179.1175.6152.9-132.30111.5T517 E518 Q519 I523 S524 E525T517-K521 WeakPolarHBondContact O-CB 3.48Å; T517-K521 PolarHBondContact O-N 3.32Å; E518-K521 PolarHBondContact O-N 3.23Å; E518-K521 IonicContact OE1-NZ 3.12Å; E518-K521 PolarHBondContact OE1-NZ 3.21Å; E518-K521 IonicContact OE2-NZ 3.84Å; E518-K521 PolarHBondContact OE2-NZ 2.93Å; Q519-K521 VanDerWaalsContact C-N 3.33Å; Q519-K521 PolarHBondContact O-N 2.74Å; K521-I523 PolarHBondContact O-N 2.93Å; K521-S524 PolarHBondContact O-N 3.46Å; K521-S524 VanDerWaalsContact O-N 3.15Å; K521-S524 PolarHBondContact O-OG 2.93Å; K521-E525 WeakPolarHBondContact CE-OE1 3.5Å; K521-E525 HydrophobicContact CG-CG 4.44Å; K521-E525 WeakPolarHBondContact O-CB 3.3Å; K521-E525 WeakPolarHBondContact O-CG 3.44Å; K521-E525 PolarHBondContact O-N 3.26Å
522L71.6Confident77.5Confident74 Ų7484.1 Ų84.139%0.38742%0.422SS..Hα-helixtrans-59.2-43.7176.1-75169.7000112E518 Q519 E525 Q526E518-L522 HydrophobicContact CG-CD1 4.4Å; E518-L522 WeakPolarHBondContact O-CB 3.09Å; E518-L522 VanDerWaalsContact O-CG 3.26Å; E518-L522 WeakPolarHBondContact O-CG 3.11Å; E518-L522 PolarHBondContact O-N 2.74Å; Q519-L522 PolarHBondContact O-N 3.37Å; L522-E525 PolarHBondContact O-N 3.21Å; L522-Q526 WeakPolarHBondContact O-CB 3.27Å; L522-Q526 PolarHBondContact O-N 3.42Å
523I77.5Confident77.1Confident91 Ų9180.6 Ų80.647%0.46741%0.405SS..Hα-helixtrans-61.5-44.8175.4-70.4164.9000110.4Q519 Q520 K521 Q526 Q527Q519-I523 WeakPolarHBondContact O-CB 3.42Å; Q519-I523 WeakPolarHBondContact O-CD1 3.48Å; Q519-I523 WeakPolarHBondContact O-CG1 3.47Å; Q519-I523 PolarHBondContact O-N 2.85Å; Q520-I523 PolarHBondContact O-N 3.17Å; K521-I523 PolarHBondContact O-N 2.93Å; I523-Q526 PolarHBondContact O-N 3.12Å; I523-Q527 HydrophobicContact CG2-CG 4.49Å; I523-Q527 WeakPolarHBondContact O-CB 3.21Å; I523-Q527 VanDerWaalsContact O-CG 3.3Å; I523-Q527 WeakPolarHBondContact O-CG 3.42Å; I523-Q527 PolarHBondContact O-N 2.77Å
524S78.4Confident76.8Confident50 Ų5079.7 Ų79.735%0.3540%0.404SS..Hα-helixtrans-65.6-40.4178.377.60000112.3Q520 K521 Q527 N528Q520-S524 WeakPolarHBondContact O-CB 3.5Å; Q520-S524 PolarHBondContact O-N 3.44Å; K521-S524 PolarHBondContact O-N 3.46Å; K521-S524 VanDerWaalsContact O-N 3.15Å; K521-S524 PolarHBondContact O-OG 2.93Å; S524-Q527 PolarHBondContact O-N 3.27Å; S524-N528 WeakPolarHBondContact O-CB 3.43Å; S524-N528 PolarHBondContact O-N 3.26Å; S524-N528 PolarHBondContact O-ND2 2.93Å
525E73.6Confident76.7Confident85 Ų8579.6 Ų79.640%0.39740%0.4SS..Hα-helixtrans-66.9-40.4176-74.7-179.7-175.900111.1K521 L522 N528 K529K521-E525 WeakPolarHBondContact CE-OE1 3.5Å; K521-E525 HydrophobicContact CG-CG 4.44Å; K521-E525 WeakPolarHBondContact O-CB 3.3Å; K521-E525 WeakPolarHBondContact O-CG 3.44Å; K521-E525 PolarHBondContact O-N 3.26Å; L522-E525 PolarHBondContact O-N 3.21Å; E525-N528 PolarHBondContact O-N 3.11Å; E525-K529 WeakPolarHBondContact O-CB 3.42Å; E525-K529 VanDerWaalsContact O-CG 3.3Å; E525-K529 WeakPolarHBondContact O-CG 3.29Å; E525-K529 PolarHBondContact O-N 3.3Å
526Q72.3Confident76.8Confident111 Ų11179 Ų7952%0.51940%0.397SS..Hα-helixtrans-66.9-42176.3-168.41739.500111.3L522 I523 K529 V530L522-Q526 WeakPolarHBondContact O-CB 3.27Å; L522-Q526 PolarHBondContact O-N 3.42Å; I523-Q526 PolarHBondContact O-N 3.12Å; Q526-K529 PolarHBondContact O-N 3.25Å; Q526-V530 VanDerWaalsContact O-CG2 3.3Å; Q526-V530 WeakPolarHBondContact O-CG2 3.2Å; Q526-V530 PolarHBondContact O-N 2.93Å
527Q75Confident76.8Confident117 Ų11776.7 Ų76.755%0.54739%0.385SS..Hα-helixtrans-61.6-44.3172.2-76176.9-9.100111.4I523 S524 K529 V530 N531I523-Q527 HydrophobicContact CG2-CG 4.49Å; I523-Q527 WeakPolarHBondContact O-CB 3.21Å; I523-Q527 VanDerWaalsContact O-CG 3.3Å; I523-Q527 WeakPolarHBondContact O-CG 3.42Å; I523-Q527 PolarHBondContact O-N 2.77Å; S524-Q527 PolarHBondContact O-N 3.27Å; Q527-K529 PolarHBondContact O-N 3.47Å; Q527-V530 PolarHBondContact O-N 2.81Å; Q527-N531 WeakPolarHBondContact O-CB 3.43Å; Q527-N531 PolarHBondContact O-N 3.5Å; Q527-N531 PolarHBondContact O-ND2 2.91Å
528N74.5Confident76.9Confident103 Ų10378.7 Ų78.755%0.55139%0.388SS*.Hα-helixtrans-62.5-40.3176-73.1-23.9000112.1S524 E525 H532S524-N528 WeakPolarHBondContact O-CB 3.43Å; S524-N528 PolarHBondContact O-N 3.26Å; S524-N528 PolarHBondContact O-ND2 2.93Å; E525-N528 PolarHBondContact O-N 3.11Å; N528-H532 VanDerWaalsContact O-CB 3.25Å; N528-H532 WeakPolarHBondContact O-CB 3.24Å; N528-H532 PolarHBondContact O-N 3.21Å
529K73.8Confident77.5Confident105 Ų10576.1 Ų76.146%0.45738%0.376SS..Hα-helixtrans-63.5-44.2173.7-77.7178172.3-163.70112.2E62 E525 Q526 Q527 H532 K533E62-K529 IonicContact OE1-NZ 2.64Å; E62-K529 PolarHBondContact OE1-NZ 2.8Å; E525-K529 WeakPolarHBondContact O-CB 3.42Å; E525-K529 VanDerWaalsContact O-CG 3.3Å; E525-K529 WeakPolarHBondContact O-CG 3.29Å; E525-K529 PolarHBondContact O-N 3.3Å; Q526-K529 PolarHBondContact O-N 3.25Å; Q527-K529 PolarHBondContact O-N 3.47Å; K529-H532 PolarHBondContact O-N 3.39Å; K529-K533 VanDerWaalsContact O-CB 3.28Å; K529-K533 WeakPolarHBondContact O-CB 3.42Å; K529-K533 PolarHBondContact O-N 3.39Å
530V76.9Confident78.2Confident57 Ų5772.1 Ų72.135%0.34536%0.358SS..Hα-helixtrans-64.8-44.8177.41720000111Q526 Q527 H532 K533 N534Q526-V530 VanDerWaalsContact O-CG2 3.3Å; Q526-V530 WeakPolarHBondContact O-CG2 3.2Å; Q526-V530 PolarHBondContact O-N 2.93Å; Q527-V530 PolarHBondContact O-N 2.81Å; V530-H532 PolarHBondContact O-N 3.32Å; V530-K533 WeakPolarHBondContact O-CB 3.29Å; V530-K533 PolarHBondContact O-N 3.45Å; V530-N534 PolarHBondContact O-N 2.8Å; V530-N534 PolarHBondContact O-ND2 2.86Å
531N76.6Confident78.5Confident99 Ų9970.2 Ų70.253%0.52936%0.357SS..Hα-helixtrans-60.1-45.7175.8-71.1-19.5000111.2Q527 K533 N534 Q535Q527-N531 WeakPolarHBondContact O-CB 3.43Å; Q527-N531 PolarHBondContact O-N 3.5Å; Q527-N531 PolarHBondContact O-ND2 2.91Å; N531-K533 PolarHBondContact O-N 3.08Å; N531-N534 PolarHBondContact O-N 3.08Å; N531-Q535 WeakPolarHBondContact O-CB 3.31Å; N531-Q535 PolarHBondContact O-N 3.28Å
532H75.8Confident78.8Confident48 Ų4868 Ų6822%0.22235%0.35CS..Hα-helixtrans-61.7-43.3175.6179.6-142.7000112.3N528 K529 V530 Q535 L536 L585N528-H532 VanDerWaalsContact O-CB 3.25Å; N528-H532 WeakPolarHBondContact O-CB 3.24Å; N528-H532 PolarHBondContact O-N 3.21Å; K529-H532 PolarHBondContact O-N 3.39Å; V530-H532 PolarHBondContact O-N 3.32Å; H532-Q535 PolarHBondContact O-N 3.08Å; H532-L536 WeakPolarHBondContact NE2-CD1 3.24Å; H532-L536 WeakPolarHBondContact O-CB 3.47Å; H532-L536 WeakPolarHBondContact O-CG 3.48Å; H532-L536 PolarHBondContact O-N 3.34Å; H532-L585 HydrophobicContact CB-CD2 3.81Å; H532-L585 WeakPolarHBondContact CD2-CD2 3.44Å
533K77.3Confident79.7Confident33 Ų3364.5 Ų64.514%0.14333%0.331CS..Hα-helixtrans-57.6-49.2174.7161.2169.2-179169.10111.4V59 E62 K529 V530 N531 Q535 L536 L537V59-K533 HydrophobicContact CG1-CB 4.38Å; V59-K533 HydrophobicContact CG1-CD 4.3Å; V59-K533 HydrophobicContact CG1-CG 3.71Å; V59-K533 WeakPolarHBondContact O-CD 3.5Å; V59-K533 WeakPolarHBondContact O-CE 3.27Å; V59-K533 PolarHBondContact O-NZ 3.26Å; E62-K533 PolarHBondContact O-NZ 3.43Å; K529-K533 VanDerWaalsContact O-CB 3.28Å; K529-K533 WeakPolarHBondContact O-CB 3.42Å; K529-K533 PolarHBondContact O-N 3.39Å; V530-K533 WeakPolarHBondContact O-CB 3.29Å; V530-K533 PolarHBondContact O-N 3.45Å; N531-K533 PolarHBondContact O-N 3.08Å; K533-Q535 PolarHBondContact O-N 2.83Å; K533-L536 PolarHBondContact O-N 3.5Å; K533-L537 HydrophobicContact CG-CD1 4.07Å; K533-L537 VanDerWaalsContact O-CG 3.3Å; K533-L537 WeakPolarHBondContact O-CG 3.44Å; K533-L537 PolarHBondContact O-N 2.94Å
534N80Confident80Confident87 Ų8763 Ų6347%0.46532%0.321SS..Hα-helixtrans-63.7-42.2-179.1-71.1-22.2000112V530 N531 L537 E538V530-N534 PolarHBondContact O-N 2.8Å; V530-N534 PolarHBondContact O-ND2 2.86Å; N531-N534 PolarHBondContact O-N 3.08Å; N534-L537 PolarHBondContact O-N 3.04Å; N534-E538 PolarHBondContact O-N 2.98Å
535Q80.8Confident80.1Confident55 Ų5561.4 Ų61.426%0.25731%0.309SS..Hα-helixtrans-66.4-41.2178.2-165178.21000112.5N531 H532 K533 E538 I539 L584N531-Q535 WeakPolarHBondContact O-CB 3.31Å; N531-Q535 PolarHBondContact O-N 3.28Å; H532-Q535 PolarHBondContact O-N 3.08Å; K533-Q535 PolarHBondContact O-N 2.83Å; Q535-E538 PolarHBondContact O-N 3Å; Q535-I539 HydrophobicContact CG-CD1 4.47Å; Q535-I539 WeakPolarHBondContact O-CG1 3.31Å; Q535-I539 PolarHBondContact O-N 3.18Å; Q535-I539 VanDerWaalsContact O-N 3.09Å; Q535-L584 PolarHBondContact NE2-O 3.46Å; Q535-L584 PolarHBondContact OE1-O 3.46Å
536L82.6Confident80Confident3 Ų361.3 Ų61.32%0.01632%0.316CS..Hα-helixtrans-64.1-39.8174.6-74.8176.4000112L55 V59 H532 K533 E538 I539 L540 L584L55-L536 HydrophobicContact CD1-CB 4.4Å; L55-L536 HydrophobicContact CD1-CD1 4.05Å; L55-L536 HydrophobicContact CD2-CD1 4.01Å; L55-L536 HydrophobicContact CD2-CD2 3.94Å; V59-L536 HydrophobicContact CG2-CD1 4.49Å; H532-L536 WeakPolarHBondContact NE2-CD1 3.24Å; H532-L536 WeakPolarHBondContact O-CB 3.47Å; H532-L536 WeakPolarHBondContact O-CG 3.48Å; H532-L536 PolarHBondContact O-N 3.34Å; K533-L536 PolarHBondContact O-N 3.5Å; L536-E538 VanDerWaalsContact C-N 3.31Å; L536-E538 PolarHBondContact O-N 3.25Å; L536-I539 PolarHBondContact O-N 2.9Å; L536-L540 VanDerWaalsContact O-CB 3.31Å; L536-L540 WeakPolarHBondContact O-CB 3.46Å; L536-L540 VanDerWaalsContact O-CG 3.24Å; L536-L540 WeakPolarHBondContact O-CG 3.25Å; L536-L540 PolarHBondContact O-N 3.03Å; L536-L584 HydrophobicContact CD2-CD1 4.05Å
537L82.7Confident79.6Confident48 Ų4858.9 Ų58.925%0.25131%0.306SS..Hα-helixtrans-62.4-38.8175.4-74.7170.9000111.9V59 K533 N534 S541V59-L537 HydrophobicContact CG1-CD1 4.09Å; V59-L537 HydrophobicContact CG1-CD2 3.79Å; V59-L537 HydrophobicContact CG1-CG 3.72Å; K533-L537 HydrophobicContact CG-CD1 4.07Å; K533-L537 VanDerWaalsContact O-CG 3.3Å; K533-L537 WeakPolarHBondContact O-CG 3.44Å; K533-L537 PolarHBondContact O-N 2.94Å; N534-L537 PolarHBondContact O-N 3.04Å; L537-S541 VanDerWaalsContact O-CB 3.25Å; L537-S541 WeakPolarHBondContact O-CB 3.04Å; L537-S541 PolarHBondContact O-N 3.24Å
538E84.3Confident78.8Confident127 Ų12755.5 Ų55.559%0.59330%0.295SS*.Hα-helixtrans-64.2-46.3175.5-168.8-171.2165.900112N534 Q535 L536 S541 N542N534-E538 PolarHBondContact O-N 2.98Å; Q535-E538 PolarHBondContact O-N 3Å; L536-E538 VanDerWaalsContact C-N 3.31Å; L536-E538 PolarHBondContact O-N 3.25Å; E538-S541 WeakPolarHBondContact O-CB 3.47Å; E538-S541 PolarHBondContact O-N 3.12Å; E538-N542 PolarHBondContact O-N 3.28Å; E538-N542 PolarHBondContact O-ND2 3.18Å
539I85.6Confident77.6Confident8 Ų856.6 Ų56.64%0.04130%0.299CS..Hα-helixtrans-62.8-46.4177.8-67.7164.4000110.7Q535 L536 S541 N542 L543 L579 L584 L646 I649Q535-I539 HydrophobicContact CG-CD1 4.47Å; Q535-I539 WeakPolarHBondContact O-CG1 3.31Å; Q535-I539 PolarHBondContact O-N 3.18Å; Q535-I539 VanDerWaalsContact O-N 3.09Å; L536-I539 PolarHBondContact O-N 2.9Å; I539-S541 VanDerWaalsContact C-N 3.31Å; I539-S541 PolarHBondContact O-N 3.39Å; I539-N542 PolarHBondContact O-N 2.94Å; I539-L543 HydrophobicContact CG2-CD1 3.97Å; I539-L543 WeakPolarHBondContact O-CG 3.47Å; I539-L543 PolarHBondContact O-N 2.88Å; I539-L579 HydrophobicContact CG2-CD2 3.98Å; I539-L584 HydrophobicContact CD1-CB 4.3Å; I539-L584 HydrophobicContact CD1-CD1 3.97Å; I539-L584 HydrophobicContact CD1-CD2 3.69Å; I539-L584 HydrophobicContact CD1-CG 4.2Å; I539-L646 HydrophobicContact CG2-CD1 3.92Å; I539-I649 HydrophobicContact CD1-CD1 4.49Å; I539-I649 HydrophobicContact CG1-CD1 4.15Å
540L86.1Confident76.1Confident5 Ų558.5 Ų58.53%0.02631%0.314CS..Hα-helixtrans-62.6-38.2177.9-75.5176.8000112.1F37 L51 L55 L536 L543 K544 L579F37-L540 HydrophobicContact CD1-CD1 4.1Å; F37-L540 HydrophobicContact CE1-CB 3.62Å; F37-L540 HydrophobicContact CE1-CD1 3.81Å; F37-L540 HydrophobicContact CE1-CD2 4.32Å; F37-L540 HydrophobicContact CE1-CG 4.15Å; F37-L540 HydrophobicContact CE2-CB 4.46Å; F37-L540 HydrophobicContact CZ-CB 3.58Å; L51-L540 HydrophobicContact CB-CD2 3.92Å; L51-L540 HydrophobicContact CD1-CD2 4.02Å; L55-L540 HydrophobicContact CD1-CD1 3.73Å; L536-L540 VanDerWaalsContact O-CB 3.31Å; L536-L540 WeakPolarHBondContact O-CB 3.46Å; L536-L540 VanDerWaalsContact O-CG 3.24Å; L536-L540 WeakPolarHBondContact O-CG 3.25Å; L536-L540 PolarHBondContact O-N 3.03Å; L540-L543 PolarHBondContact O-N 3.42Å; L540-K544 PolarHBondContact O-N 3.28Å; L540-L579 HydrophobicContact CD2-CD1 3.93Å; L540-L579 HydrophobicContact CD2-CD2 4.17Å
541S84.2Confident74.3Confident77 Ų7762.4 Ų62.454%0.53833%0.333SS..Hα-helixtrans-61.3-43.7173.9-176.20000111.6L537 E538 I539 L543 K544L537-S541 VanDerWaalsContact O-CB 3.25Å; L537-S541 WeakPolarHBondContact O-CB 3.04Å; L537-S541 PolarHBondContact O-N 3.24Å; E538-S541 WeakPolarHBondContact O-CB 3.47Å; E538-S541 PolarHBondContact O-N 3.12Å; I539-S541 VanDerWaalsContact C-N 3.31Å; I539-S541 PolarHBondContact O-N 3.39Å; S541-L543 PolarHBondContact O-N 3.02Å; S541-K544 WeakPolarHBondContact O-CB 3.45Å; S541-K544 PolarHBondContact O-N 3.5Å
542N86Confident72.4Confident46 Ų4661.9 Ų61.925%0.24634%0.337CS..Hα-helixtrans-65.5-34.9176.6-76.9-64.4000113.3E538 I539 G642 K645E538-N542 PolarHBondContact O-N 3.28Å; E538-N542 PolarHBondContact O-ND2 3.18Å; I539-N542 PolarHBondContact O-N 2.94Å; N542-G642 WeakPolarHBondContact O-CA 3.11Å; N542-K645 HydrophobicContact CB-CD 4.27Å; N542-K645 PolarHBondContact OD1-NZ 3.35Å
543L89.3Confident71.1Confident0 Ų065 Ų650%036%0.361CS..Hα-helixtrans-76.2-24.8177.9-71.9166.7000113.1L51 I539 L540 S541 L545 L575 L579 V638 S639 L646L51-L543 HydrophobicContact CD1-CB 3.68Å; I539-L543 HydrophobicContact CG2-CD1 3.97Å; I539-L543 WeakPolarHBondContact O-CG 3.47Å; I539-L543 PolarHBondContact O-N 2.88Å; L540-L543 PolarHBondContact O-N 3.42Å; S541-L543 PolarHBondContact O-N 3.02Å; L543-L545 PolarHBondContact O-N 2.99Å; L543-L575 HydrophobicContact CD1-CD1 4.21Å; L543-L579 HydrophobicContact CD1-CD2 4.02Å; L543-V638 HydrophobicContact CB-CG1 4.3Å; L543-V638 HydrophobicContact CD2-CB 4.12Å; L543-V638 HydrophobicContact CD2-CG1 4.19Å; L543-V638 WeakPolarHBondContact O-CA 3.35Å; L543-S639 PolarHBondContact O-N 2.96Å; L543-L646 HydrophobicContact CD1-CD2 4.23Å; L543-L646 HydrophobicContact CD2-CB 4.32Å; L543-L646 HydrophobicContact CD2-CD2 4.24Å
544K84.8Confident69.3Low59 Ų5970 Ų7026%0.25739%0.389SS..SBendtrans-59.5134.5-176.6-163.8-171.6169.6-169.50110.2F37 L540 S541 D547F37-K544 HydrophobicContact CE2-CD 4.45Å; L540-K544 PolarHBondContact O-N 3.28Å; S541-K544 WeakPolarHBondContact O-CB 3.45Å; S541-K544 PolarHBondContact O-N 3.5Å; K544-D547 IonicContact NZ-OD1 3.81Å; K544-D547 IonicContact NZ-OD2 3.11Å; K544-D547 PolarHBondContact NZ-OD2 2.69Å
545L81.1Confident67Low17 Ų1772.4 Ų72.49%0.08940%0.402CS..PPolyproline II helixtrans-70.5142.8168.2-71.2169.8000109.8F30 L543 D547 V567 A637F30-L545 HydrophobicContact CD1-CD1 4.43Å; L543-L545 PolarHBondContact O-N 2.99Å; L545-D547 PolarHBondContact O-N 3.37Å; L545-V567 HydrophobicContact CD1-CG1 4.25Å; L545-V567 HydrophobicContact CD2-CB 4.45Å; L545-V567 HydrophobicContact CD2-CG1 4.16Å; L545-V567 HydrophobicContact CD2-CG2 3.86Å; L545-A637 HydrophobicContact CD1-CB 3.64Å
546P69.8Low64.9Low83 Ų8378 Ų7854%0.53943%0.428SS..PPolyproline II helixtrans-54.4135.4173.6-22.731.8000111.3M561P546-M561 HydrophobicContact CG-CE 4.05Å; P546-M561 HydrophobicContact CG-SD 4.26Å
547D64.1Low62.5Low60 Ų6083.4 Ų83.432%0.32146%0.461SS..PPolyproline II helixtrans-67.6132.5179.3-76.2-46.1000110.5A34 K544 L545 I549A34-D547 PolarHBondContact N-OD1 3.4Å; K544-D547 IonicContact NZ-OD1 3.81Å; K544-D547 IonicContact NZ-OD2 3.11Å; K544-D547 PolarHBondContact NZ-OD2 2.69Å; L545-D547 PolarHBondContact O-N 3.37Å; D547-I549 PolarHBondContact O-N 3.09Å; D547-I549 VanDerWaalsContact O-N 3.16Å
548P58.3Low60.1Low46 Ų4687.4 Ų87.430%0.29948%0.482SS..G310 helixtrans-68.1-15.5-175.522.6-30.6000114.3
549I48.8Very low57.6Low126 Ų12689.2 Ų89.265%0.64649%0.494SS*.G310 helixtrans-92.5-16.3-168.5-59.6173000113.1P33 D547 L551P33-I549 HydrophobicContact CB-CD1 4.27Å; P33-I549 HydrophobicContact CG-CD1 4.49Å; D547-I549 PolarHBondContact O-N 3.09Å; D547-I549 VanDerWaalsContact O-N 3.16Å; I549-L551 PolarHBondContact O-N 3.46Å
550N42.8Very low55.5Low144 Ų14491.2 Ų91.277%0.7751%0.509SS*.G310 helixtrans-84.716178.8-80.1-11.4000114.6S552N550-S552 PolarHBondContact O-N 2.97Å
551L40.4Very low53.4Low140 Ų14093.9 Ų93.973%0.73352%0.522SS*.  trans-76.177.8163.8-74.1155.5000108.6I549I549-L551 PolarHBondContact O-N 3.46Å
552S36.8Very low51.6Low88 Ų8895 Ų9562%0.61552%0.522SS*.  trans-57.2133.1167.7178.40000109.1N550 N554N550-S552 PolarHBondContact O-N 2.97Å; S552-N554 PolarHBondContact O-N 3.18Å
553P48.2Very low50.3Low113 Ų11395.1 Ų95.173%0.73453%0.526SS*.THydrogen-bonded Turntrans-64.7-8.4-169.5-20.531000116.1
554N38.5Very low48.9Very low138 Ų13895.7 Ų95.774%0.73853%0.529SS*.THydrogen-bonded Turntrans-109.18.4-162.5-76.4-4000116.6S552S552-N554 PolarHBondContact O-N 3.18Å
555N31.4Very low48Very low137 Ų13797.5 Ų97.573%0.73354%0.542SS*.  trans-114.999.6171.3-86.1-20.1000110.9T557N555-T557 PolarHBondContact O-N 2.99Å; N555-T557 VanDerWaalsContact O-N 3.12Å
556H37.1Very low47.9Very low172 Ų172100 Ų10080%0.79656%0.555SS**  trans-7212.2173.3-82.6-73.5000114.3L558H556-L558 PolarHBondContact O-N 3.33Å; H556-L558 VanDerWaalsContact O-N 3.13Å
557T32.9Very low48.8Very low118 Ų11896.6 Ų96.672%0.72453%0.533SS*.  trans-81.686.2165.821.90000109.3N555 I559N555-T557 PolarHBondContact O-N 2.99Å; N555-T557 VanDerWaalsContact O-N 3.12Å; T557-I559 PolarHBondContact O-N 2.87Å
558L32.6Very low50Low132 Ų13293.8 Ų93.869%0.69152%0.518SS*.  trans-51.895.5172.2-81.484.7000111.2H556H556-L558 PolarHBondContact O-N 3.33Å; H556-L558 VanDerWaalsContact O-N 3.13Å
559I31.9Very low51.5Low165 Ų16591.6 Ų91.685%0.84650%0.503SS*.  trans-93.567136.4-52.6178000104.9T557 M561T557-I559 PolarHBondContact O-N 2.87Å; I559-M561 PolarHBondContact O-N 3.41Å
560S41.5Very low53.5Low50 Ų5085.6 Ų85.635%0.3547%0.473SS..  trans-68.8123172.9-168.90000107.4N562S560-N562 WeakPolarHBondContact CB-ND2 3.47Å; S560-N562 PolarHBondContact O-N 3.3Å; S560-N562 PolarHBondContact OG-N 2.66Å; S560-N562 PolarHBondContact OG-ND2 3.25Å; S560-N562 PolarHBondContact OG-OD1 3.33Å
561M42Very low55.8Low61 Ų6179.1 Ų79.130%0.344%0.439SS..  trans-64.555.7157.7-77.1-94-76.900108.9R25 P546 I559 S563 D566 V567R25-M561 PolarHBondContact NH2-O 3.48Å; P546-M561 HydrophobicContact CG-CE 4.05Å; P546-M561 HydrophobicContact CG-SD 4.26Å; I559-M561 PolarHBondContact O-N 3.41Å; M561-S563 VanDerWaalsContact C-N 3.29Å; M561-D566 HydrophobicContact CE-CB 4.16Å; M561-D566 HydrophobicContact SD-CB 3.73Å; M561-V567 HydrophobicContact CE-CG2 4.32Å
562N45.8Very low58.2Low101 Ų10172.7 Ų72.754%0.5441%0.406SS..  trans-73.1-25.1-174.4-98.6-10.7000111.2S560S560-N562 WeakPolarHBondContact CB-ND2 3.47Å; S560-N562 PolarHBondContact O-N 3.3Å; S560-N562 PolarHBondContact OG-N 2.66Å; S560-N562 PolarHBondContact OG-ND2 3.25Å; S560-N562 PolarHBondContact OG-OD1 3.33Å
563S58.9Low60.7Low47 Ų4770.4 Ų70.433%0.32939%0.39SS..  trans-95.9131.7176.9-1490000111.9M561 D565M561-S563 VanDerWaalsContact C-N 3.29Å; S563-D565 WeakPolarHBondContact CB-OD2 3.49Å; S563-D565 PolarHBondContact O-N 2.97Å; S563-D565 PolarHBondContact OG-OD1 3.49Å; S563-D565 PolarHBondContact OG-OD2 3.32Å
564L60.4Low62.8Low13 Ų1365.1 Ų65.17%0.06836%0.355CS..G310 helixtrans-60.4-18.9166.7-98133.9000112.1T21 V24 D566 V567 Q669 P670T21-L564 HydrophobicContact CG2-CD1 3.86Å; T21-L564 HydrophobicContact CG2-CG 4.14Å; V24-L564 HydrophobicContact CB-CD1 3.81Å; V24-L564 HydrophobicContact CB-CD2 3.82Å; V24-L564 HydrophobicContact CB-CG 4.4Å; V24-L564 HydrophobicContact CG1-CD1 4.16Å; V24-L564 HydrophobicContact CG1-CD2 3.32Å; V24-L564 HydrophobicContact CG1-CG 4.36Å; V24-L564 HydrophobicContact CG2-CD1 3.68Å; V24-L564 HydrophobicContact CG2-CD2 4.41Å; L564-D566 PolarHBondContact O-N 3.34Å; L564-V567 PolarHBondContact O-N 2.97Å; L564-Q669 PolarHBondContact O-OE1 3.43Å; L564-P670 HydrophobicContact CD2-CB 4.02Å; L564-P670 HydrophobicContact CD2-CG 3.74Å
565D65Low65.3Low96 Ų9658.5 Ų58.551%0.51332%0.32SS..G310 helixtrans-56.5-21.4-179.6-51.4-21.4000113.4S563 V567 T640 Q669S563-D565 WeakPolarHBondContact CB-OD2 3.49Å; S563-D565 PolarHBondContact O-N 2.97Å; S563-D565 PolarHBondContact OG-OD1 3.49Å; S563-D565 PolarHBondContact OG-OD2 3.32Å; D565-V567 VanDerWaalsContact C-N 3.29Å; D565-V567 PolarHBondContact O-N 2.87Å; D565-T640 PolarHBondContact O-OG1 2.98Å; D565-Q669 PolarHBondContact O-NE2 2.96Å
566D79.6Confident68Low71 Ų7155.9 Ų55.938%0.3830%0.299SS..G310 helixtrans-80.1-3.9178.4-69.6-35.6000114.6M561 L564 T640M561-D566 HydrophobicContact CE-CB 4.16Å; M561-D566 HydrophobicContact SD-CB 3.73Å; L564-D566 PolarHBondContact O-N 3.34Å; D566-T640 PolarHBondContact O-N 2.75Å; D566-T640 PolarHBondContact O-OG1 3.05Å
567V87.1Confident70.4Confident11 Ų1150.4 Ų50.47%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-116.3117.4-177.5-174.70000112F30 L545 M561 L564 D565 A637 T640 Q669F30-V567 HydrophobicContact CD2-CG1 4.39Å; F30-V567 HydrophobicContact CE1-CG1 4.11Å; F30-V567 HydrophobicContact CE2-CB 4.34Å; F30-V567 HydrophobicContact CE2-CG1 3.78Å; F30-V567 HydrophobicContact CZ-CG1 3.61Å; L545-V567 HydrophobicContact CD1-CG1 4.25Å; L545-V567 HydrophobicContact CD2-CB 4.45Å; L545-V567 HydrophobicContact CD2-CG1 4.16Å; L545-V567 HydrophobicContact CD2-CG2 3.86Å; M561-V567 HydrophobicContact CE-CG2 4.32Å; L564-V567 PolarHBondContact O-N 2.97Å; D565-V567 VanDerWaalsContact C-N 3.29Å; D565-V567 PolarHBondContact O-N 2.87Å; V567-A637 HydrophobicContact CG1-CB 4.27Å; V567-T640 PolarHBondContact N-OG1 2.84Å; V567-Q669 VanDerWaalsContact O-CD 3.28Å; V567-Q669 PolarHBondContact O-NE2 3.17Å; V567-Q669 PolarHBondContact O-OE1 2.93Å
568S89.9Confident73Confident0 Ų044.8 Ų44.80%024%0.242CC..EExtended strand (participates in β ladder)trans-104.1134.8174.3-66.30000111.6V638 T640S568-V638 PolarHBondContact N-O 3.36Å; S568-V638 WeakPolarHBondContact O-CG2 3.32Å; S568-V638 PolarHBondContact O-N 3.44Å; S568-T640 PolarHBondContact N-OG1 3.47Å; S568-T640 PolarHBondContact OG-OG1 2.96Å
569L91Very high75.6Confident0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans-101.4109.8173.5-61.9177.5000109.8Y28 F30 L618 V626 Y635 R636 A637 F668 P670Y28-L569 HydrophobicContact CD1-CD1 3.55Å; Y28-L569 HydrophobicContact CD1-CD2 4.47Å; Y28-L569 HydrophobicContact CE1-CD1 3.34Å; Y28-L569 HydrophobicContact CG-CD1 4.43Å; F30-L569 HydrophobicContact CE1-CD2 3.96Å; F30-L569 HydrophobicContact CZ-CD2 3.92Å; L569-L618 VanDerWaalsContact O-CD1 3.23Å; L569-L618 WeakPolarHBondContact O-CD1 3.08Å; L569-V626 HydrophobicContact CB-CG1 4.38Å; L569-V626 HydrophobicContact CB-CG2 4.1Å; L569-V626 HydrophobicContact CD1-CB 3.94Å; L569-V626 HydrophobicContact CD1-CG1 3.75Å; L569-V626 HydrophobicContact CD1-CG2 4.38Å; L569-Y635 HydrophobicContact CD2-CD2 3.8Å; L569-Y635 HydrophobicContact CD2-CE2 4.02Å; L569-R636 WeakPolarHBondContact CA-O 3.45Å; L569-A637 HydrophobicContact CD2-CB 3.74Å; L569-F668 WeakPolarHBondContact CB-O 3.29Å; L569-F668 PolarHBondContact N-O 2.87Å; L569-F668 WeakPolarHBondContact O-CD1 3.46Å; L569-P670 HydrophobicContact CD1-CG 4.1Å
570V90.5Very high78.1Confident1 Ų132.6 Ų32.61%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-114.3155.1-177.8-640000111.9T572 W574 L575 Y635 R636 V638 L643 F668V570-T572 PolarHBondContact O-N 3.35Å; V570-W574 HydrophobicContact CB-CE3 3.97Å; V570-W574 HydrophobicContact CB-CZ3 4.11Å; V570-W574 HydrophobicContact CG1-CE3 4.43Å; V570-W574 HydrophobicContact CG1-CZ3 4.16Å; V570-W574 HydrophobicContact CG2-CE3 4.23Å; V570-W574 HydrophobicContact CG2-CZ3 4.22Å; V570-L575 HydrophobicContact CG2-CB 4.17Å; V570-L575 HydrophobicContact CG2-CD2 4.11Å; V570-Y635 CarbonylContact O-C 3.44Å; V570-Y635 WeakPolarHBondContact O-CA 3.09Å; V570-R636 PolarHBondContact N-O 2.87Å; V570-R636 PolarHBondContact O-N 3.13Å; V570-V638 HydrophobicContact CG1-CG2 4.39Å; V570-V638 HydrophobicContact CG2-CG1 4.46Å; V570-V638 HydrophobicContact CG2-CG2 4.08Å; V570-L643 HydrophobicContact CG1-CD1 4.07Å; V570-L643 HydrophobicContact CG1-CD2 3.69Å; V570-F668 HydrophobicContact CG1-CD1 4.4Å
571S91.1Very high80.1Confident7 Ų730.7 Ų30.75%0.04917%0.165CC..EExtended strand (participates in β ladder)trans-60136.1177173.20000111.7S573 W574 L575 Y604 Y616S571-S573 VanDerWaalsContact C-N 3.33Å; S571-S573 PolarHBondContact O-N 2.8Å; S571-S573 PolarHBondContact OG-N 3.36Å; S571-S573 PolarHBondContact OG-OG 3.06Å; S571-W574 PolarHBondContact O-N 2.74Å; S571-L575 WeakPolarHBondContact O-CB 3.39Å; S571-L575 PolarHBondContact O-N 2.97Å; S571-Y604 WeakPolarHBondContact CB-OH 3.31Å; S571-Y604 PolarHBondContact N-OH 2.94Å; S571-Y616 WeakPolarHBondContact CB-O 3.47Å; S571-Y616 PolarHBondContact OG-O 2.7Å
572T90.3Very high81.6Confident6 Ų630 Ų304%0.03716%0.164CC..Hα-helixtrans-67.6-35.3179.8-570000111.5L54 V570 R576 G633 S634 Y635 R636L54-T572 HydrophobicContact CD2-CG2 3.68Å; V570-T572 PolarHBondContact O-N 3.35Å; T572-R576 VanDerWaalsContact O-CB 3.25Å; T572-R576 WeakPolarHBondContact O-CB 3.4Å; T572-R576 PolarHBondContact O-N 2.79Å; T572-R576 VanDerWaalsContact O-N 3.07Å; T572-G633 WeakPolarHBondContact CB-O 3.28Å; T572-G633 PolarHBondContact OG1-O 3.27Å; T572-S634 WeakPolarHBondContact CB-O 3.27Å; T572-S634 PolarHBondContact N-O 3.13Å; T572-S634 PolarHBondContact OG1-O 3.2Å; T572-Y635 VanDerWaalsContact OG1-C 3.27Å; T572-Y635 WeakPolarHBondContact OG1-CA 3.38Å; T572-Y635 PolarHBondContact OG1-N 3.3Å; T572-Y635 PolarHBondContact OG1-O 3.33Å; T572-R636 HydrophobicContact CG2-CG 4.38Å; T572-R636 PolarHBondContact OG1-NH1 2.87Å
573S89.2Confident82.8Confident40 Ų4027.1 Ų27.128%0.2815%0.149SC..Hα-helixtrans-68.8-44175.143.90000111.1S571 R576 D577S571-S573 VanDerWaalsContact C-N 3.33Å; S571-S573 PolarHBondContact O-N 2.8Å; S571-S573 PolarHBondContact OG-N 3.36Å; S571-S573 PolarHBondContact OG-OG 3.06Å; S573-R576 WeakPolarHBondContact O-CB 3.43Å; S573-R576 PolarHBondContact O-N 3.21Å; S573-D577 VanDerWaalsContact O-CG 3.29Å; S573-D577 PolarHBondContact O-N 2.96Å
574W91.5Very high83.3Confident1 Ų125 Ų250%0.00413%0.134CC..Hα-helixtrans-60-50.2176.9177.981000111.8V570 S571 R576 D577 C578 L601 Y604 I605 Y616 L643 L646V570-W574 HydrophobicContact CB-CE3 3.97Å; V570-W574 HydrophobicContact CB-CZ3 4.11Å; V570-W574 HydrophobicContact CG1-CE3 4.43Å; V570-W574 HydrophobicContact CG1-CZ3 4.16Å; V570-W574 HydrophobicContact CG2-CE3 4.23Å; V570-W574 HydrophobicContact CG2-CZ3 4.22Å; S571-W574 PolarHBondContact O-N 2.74Å; W574-R576 VanDerWaalsContact C-N 3.3Å; W574-R576 PolarHBondContact O-N 3.22Å; W574-D577 PolarHBondContact O-N 3.03Å; W574-D577 VanDerWaalsContact O-N 3.11Å; W574-C578 WeakPolarHBondContact CZ2-SG 3.34Å; W574-C578 PolarHBondContact O-N 2.93Å; W574-C578 PolarHBondContact O-SG 3Å; W574-L601 PolarHBondContact NE1-O 3.18Å; W574-L601 VanDerWaalsContact NE1-O 3.12Å; W574-Y604 HydrophobicContact CB-CD1 3.95Å; W574-Y604 HydrophobicContact CB-CE1 3.84Å; W574-Y604 AromaticContact CD1-CD1 3.14Å; W574-Y604 AromaticContact CD1-CE1 3.89Å; W574-Y604 AromaticContact CD1-CG 3.6Å; W574-Y604 AromaticContact CD2-CD1 3.49Å; W574-Y604 HydrophobicContact CD2-CD1 3.49Å; W574-Y604 VanDerWaalsContact CD2-CD1 3.49Å; W574-Y604 AromaticContact CD2-CE1 3.58Å; W574-Y604 HydrophobicContact CD2-CE1 3.58Å; W574-Y604 AromaticContact CE2-CD1 3.62Å; W574-Y604 HydrophobicContact CE3-CD1 4.34Å; W574-Y604 HydrophobicContact CE3-CE1 4.02Å; W574-Y604 AromaticContact CG-CD1 3.23Å; W574-Y604 HydrophobicContact CG-CD1 3.23Å; W574-Y604 AromaticContact CG-CE1 3.47Å; W574-Y604 HydrophobicContact CG-CE1 3.47Å; W574-Y604 VanDerWaalsContact CG-CE1 3.47Å; W574-Y604 AromaticContact CG-CG 4Å; W574-Y604 HydrophobicContact CG-CG 4Å; W574-Y604 AromaticContact NE1-CD1 3.34Å; W574-Y604 VanDerWaalsContact NE1-CD1 3.34Å; W574-I605 HydrophobicContact CH2-CD1 3.77Å; W574-I605 HydrophobicContact CH2-CG1 4.39Å; W574-I605 HydrophobicContact CZ2-CD1 3.18Å; W574-I605 HydrophobicContact CZ2-CG1 3.76Å; W574-Y616 HydrophobicContact CB-CD1 3.7Å; W574-Y616 HydrophobicContact CB-CE1 4.36Å; W574-Y616 HydrophobicContact CB-CG 3.91Å; W574-Y616 HydrophobicContact CG-CG 4.45Å; W574-L643 HydrophobicContact CH2-CD1 3.64Å; W574-L643 HydrophobicContact CZ3-CD1 3.73Å; W574-L646 HydrophobicContact CH2-CD2 4.29Å
575L91.5Very high83.4Confident0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-62.9-38.2-179.8-175.960.3000111.8L51 L54 L543 V570 S571 C578 L579 R636 V638 L646L51-L575 HydrophobicContact CD2-CD2 3.96Å; L54-L575 HydrophobicContact CD1-CD2 3.73Å; L54-L575 HydrophobicContact CD1-CG 4.09Å; L543-L575 HydrophobicContact CD1-CD1 4.21Å; V570-L575 HydrophobicContact CG2-CB 4.17Å; V570-L575 HydrophobicContact CG2-CD2 4.11Å; S571-L575 WeakPolarHBondContact O-CB 3.39Å; S571-L575 PolarHBondContact O-N 2.97Å; L575-C578 PolarHBondContact O-N 3.16Å; L575-L579 HydrophobicContact CD1-CD1 4.24Å; L575-L579 HydrophobicContact CD1-CG 4.2Å; L575-L579 HydrophobicContact CG-CD1 4.01Å; L575-L579 HydrophobicContact CG-CG 4.4Å; L575-L579 WeakPolarHBondContact O-CB 3.29Å; L575-L579 VanDerWaalsContact O-CG 3.25Å; L575-L579 WeakPolarHBondContact O-CG 3.44Å; L575-L579 PolarHBondContact O-N 2.76Å; L575-R636 HydrophobicContact CD2-CB 3.89Å; L575-R636 HydrophobicContact CD2-CG 4.24Å; L575-V638 HydrophobicContact CD2-CG1 3.93Å; L575-L646 HydrophobicContact CD1-CD2 3.89Å
576R88.7Confident83.1Confident81 Ų8133.3 Ų33.331%0.30616%0.161SC..Hα-helixtrans-59-46.8173.2178.9-176.6-55.4108.92.7111.2L54 T572 S573 W574 L579 N580L54-R576 HydrophobicContact CD2-CB 4.44Å; L54-R576 WeakPolarHBondContact O-CG 3.47Å; T572-R576 VanDerWaalsContact O-CB 3.25Å; T572-R576 WeakPolarHBondContact O-CB 3.4Å; T572-R576 PolarHBondContact O-N 2.79Å; T572-R576 VanDerWaalsContact O-N 3.07Å; S573-R576 WeakPolarHBondContact O-CB 3.43Å; S573-R576 PolarHBondContact O-N 3.21Å; W574-R576 VanDerWaalsContact C-N 3.3Å; W574-R576 PolarHBondContact O-N 3.22Å; R576-L579 PolarHBondContact O-N 3.49Å; R576-N580 PolarHBondContact O-N 3.48Å; R576-N580 PolarHBondContact O-ND2 2.86Å
577D87.7Confident81.5Confident58 Ų5837.4 Ų37.431%0.3118%0.183SC..Hα-helixtrans-71.1-34.6-176.4-66.9-12.1000111.5S573 W574 N581 L601 Y616S573-D577 VanDerWaalsContact O-CG 3.29Å; S573-D577 PolarHBondContact O-N 2.96Å; W574-D577 PolarHBondContact O-N 3.03Å; W574-D577 VanDerWaalsContact O-N 3.11Å; D577-N581 PolarHBondContact O-N 2.9Å; D577-L601 HydrophobicContact CB-CD2 3.82Å; D577-Y616 VanDerWaalsContact OD2-CE1 3.24Å; D577-Y616 WeakPolarHBondContact OD2-CE1 3.36Å; D577-Y616 VanDerWaalsContact OD2-CZ 3.31Å; D577-Y616 PolarHBondContact OD2-OH 3.45Å
578C88Confident80.1Confident0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-61.9-48.8169.7-71.60000112.5W574 L575 N580 N581 L584 L646 L650W574-C578 WeakPolarHBondContact CZ2-SG 3.34Å; W574-C578 PolarHBondContact O-N 2.93Å; W574-C578 PolarHBondContact O-SG 3Å; L575-C578 PolarHBondContact O-N 3.16Å; C578-N580 VanDerWaalsContact C-N 3.26Å; C578-N580 PolarHBondContact O-N 2.9Å; C578-N581 VanDerWaalsContact O-CB 3.22Å; C578-N581 WeakPolarHBondContact O-CB 3.4Å; C578-N581 PolarHBondContact O-N 3.27Å; C578-N581 VanDerWaalsContact O-N 3.09Å; C578-L584 WeakPolarHBondContact O-CD1 3.38Å; C578-L646 HydrophobicContact CB-CD2 4.25Å; C578-L650 HydrophobicContact CB-CD1 3.89Å
579L86.6Confident78.5Confident2 Ų246.1 Ų46.11%0.0124%0.24CC..Hα-helixtrans-68.7-23-177.9-72.5175000113.6L54 L55 I539 L540 L543 L575 R576L54-L579 HydrophobicContact CB-CD1 3.87Å; L54-L579 HydrophobicContact CD1-CD1 4.01Å; L55-L579 HydrophobicContact CD2-CB 3.77Å; L55-L579 WeakPolarHBondContact CD2-O 3.41Å; I539-L579 HydrophobicContact CG2-CD2 3.98Å; L540-L579 HydrophobicContact CD2-CD1 3.93Å; L540-L579 HydrophobicContact CD2-CD2 4.17Å; L543-L579 HydrophobicContact CD1-CD2 4.02Å; L575-L579 HydrophobicContact CD1-CD1 4.24Å; L575-L579 HydrophobicContact CD1-CG 4.2Å; L575-L579 HydrophobicContact CG-CD1 4.01Å; L575-L579 HydrophobicContact CG-CG 4.4Å; L575-L579 WeakPolarHBondContact O-CB 3.29Å; L575-L579 VanDerWaalsContact O-CG 3.25Å; L575-L579 WeakPolarHBondContact O-CG 3.44Å; L575-L579 PolarHBondContact O-N 2.76Å; R576-L579 PolarHBondContact O-N 3.49Å
580N84.5Confident77.2Confident39 Ų3949.3 Ų49.321%0.20926%0.257CS..THydrogen-bonded Turntrans-98.310.2173.5-65.6-74.8000112.6L54 K56 R576 C578L54-N580 PolarHBondContact O-ND2 2.87Å; K56-N580 WeakPolarHBondContact CB-OD1 3.41Å; K56-N580 HydrophobicContact CD-CB 4.41Å; K56-N580 WeakPolarHBondContact CG-OD1 3.49Å; K56-N580 PolarHBondContact N-OD1 2.89Å; R576-N580 PolarHBondContact O-N 3.48Å; R576-N580 PolarHBondContact O-ND2 2.86Å; C578-N580 VanDerWaalsContact C-N 3.26Å; C578-N580 PolarHBondContact O-N 2.9Å
581N83.3Confident76.1Confident9 Ų952.9 Ų52.95%0.04828%0.279CS..  trans-74.1130-179.6-166.1-56.8000110.1D577 C578 L583 L584 L601 L650D577-N581 PolarHBondContact O-N 2.9Å; C578-N581 VanDerWaalsContact O-CB 3.22Å; C578-N581 WeakPolarHBondContact O-CB 3.4Å; C578-N581 PolarHBondContact O-N 3.27Å; C578-N581 VanDerWaalsContact O-N 3.09Å; N581-L583 PolarHBondContact O-N 3.01Å; N581-L583 VanDerWaalsContact O-N 3.11Å; N581-L583 WeakPolarHBondContact OD1-CB 3.39Å; N581-L583 PolarHBondContact OD1-N 2.77Å; N581-L584 PolarHBondContact O-N 2.82Å; N581-L584 VanDerWaalsContact O-N 3.14Å; N581-L601 WeakPolarHBondContact ND2-CD1 3.46Å; N581-L650 HydrophobicContact CB-CD2 4.16Å
582P73.9Confident75.1Confident46 Ų4658.7 Ų58.730%0.29931%0.309SS..G310 helixtrans-55.9-25.5176.6-26.635.4000114.6L584 L585P582-L584 PolarHBondContact O-N 3.06Å; P582-L585 WeakPolarHBondContact O-CA 3.32Å; P582-L585 WeakPolarHBondContact O-CB 3.27Å; P582-L585 PolarHBondContact O-N 2.88Å
583L70.3Confident74Confident41 Ų4161.9 Ų61.922%0.21534%0.336CS..G310 helixtrans-66.2-17.1178.3-79.1175.9000115.3N581 L585 L590 L598 L650N581-L583 PolarHBondContact O-N 3.01Å; N581-L583 VanDerWaalsContact O-N 3.11Å; N581-L583 WeakPolarHBondContact OD1-CB 3.39Å; N581-L583 PolarHBondContact OD1-N 2.77Å; L583-L585 PolarHBondContact O-N 3.4Å; L583-L590 HydrophobicContact CD1-CD1 4.11Å; L583-L590 HydrophobicContact CD1-CD2 4.04Å; L583-L590 HydrophobicContact CD2-CD1 3.89Å; L583-L590 HydrophobicContact CD2-CD2 3.58Å; L583-L590 HydrophobicContact CD2-CG 3.82Å; L583-L590 HydrophobicContact CG-CD1 4.38Å; L583-L590 HydrophobicContact CG-CD2 3.67Å; L583-L590 HydrophobicContact CG-CG 4.39Å; L583-L598 HydrophobicContact CD1-CD1 3.77Å; L583-L598 HydrophobicContact CD1-CD2 3.49Å; L583-L598 VanDerWaalsContact CD1-CD2 3.49Å; L583-L598 HydrophobicContact CD1-CG 4.15Å; L583-L650 HydrophobicContact CB-CD2 4.14Å
584L68.8Low72.9Confident2 Ų262 Ų621%0.0133%0.332CS..G310 helixtrans-62.1-25.3168.2-65.1-177.8000110.5Q535 L536 I539 C578 N581 P582 R586 L646 I649 L650Q535-L584 PolarHBondContact NE2-O 3.46Å; Q535-L584 PolarHBondContact OE1-O 3.46Å; L536-L584 HydrophobicContact CD2-CD1 4.05Å; I539-L584 HydrophobicContact CD1-CB 4.3Å; I539-L584 HydrophobicContact CD1-CD1 3.97Å; I539-L584 HydrophobicContact CD1-CD2 3.69Å; I539-L584 HydrophobicContact CD1-CG 4.2Å; C578-L584 WeakPolarHBondContact O-CD1 3.38Å; N581-L584 PolarHBondContact O-N 2.82Å; N581-L584 VanDerWaalsContact O-N 3.14Å; P582-L584 PolarHBondContact O-N 3.06Å; L584-R586 PolarHBondContact O-N 3.16Å; L584-L646 HydrophobicContact CD2-CD1 4.13Å; L584-I649 HydrophobicContact CD2-CG2 3.68Å; L584-L650 HydrophobicContact CD2-CD2 3.72Å; L584-L650 HydrophobicContact CD2-CG 4.14Å; L584-L650 HydrophobicContact CG-CD2 4.13Å
585L63.9Low71.9Confident59 Ų5966.1 Ų66.131%0.30935%0.354SS..SBendtrans-81.9112.3170.4-55.9154.7000108H532 P582 L583 D587 V588H532-L585 HydrophobicContact CB-CD2 3.81Å; H532-L585 WeakPolarHBondContact CD2-CD2 3.44Å; P582-L585 WeakPolarHBondContact O-CA 3.32Å; P582-L585 WeakPolarHBondContact O-CB 3.27Å; P582-L585 PolarHBondContact O-N 2.88Å; L583-L585 PolarHBondContact O-N 3.4Å; L585-D587 PolarHBondContact O-N 3.26Å; L585-V588 HydrophobicContact CB-CG2 4.31Å
586R57Low71Confident226 Ų22673.2 Ų73.285%0.85339%0.385SS*.THydrogen-bonded Turntrans-63-2.6-171-143.5171.8-179.7175.7-1.6115.1L584L584-R586 PolarHBondContact O-N 3.16Å
587D47.7Very low70.2Confident157 Ų15771.9 Ų71.984%0.8439%0.388SS*.THydrogen-bonded Turntrans-131.849.9-167.8-70.7-39.3000114.9L585L585-D587 PolarHBondContact O-N 3.26Å
588V56.5Low69.6Low66 Ų6670.6 Ų70.640%0.438%0.381SS..  trans-129.8124173.3-173.10000111.5L585 L590L585-V588 HydrophobicContact CB-CG2 4.31Å; V588-L590 PolarHBondContact O-N 3.3Å
589C57.1Low69.1Low127 Ų12773.2 Ų73.286%0.85840%0.399SS*.PPolyproline II helixtrans-62.8118.8163.8-84.10000109.2
590L62.5Low68.8Low67 Ų6779.5 Ų79.535%0.35143%0.426SS..PPolyproline II helixtrans-68.6132-178.1-71.9169.2000112.2L583 V588 Q594 I595L583-L590 HydrophobicContact CD1-CD1 4.11Å; L583-L590 HydrophobicContact CD1-CD2 4.04Å; L583-L590 HydrophobicContact CD2-CD1 3.89Å; L583-L590 HydrophobicContact CD2-CD2 3.58Å; L583-L590 HydrophobicContact CD2-CG 3.82Å; L583-L590 HydrophobicContact CG-CD1 4.38Å; L583-L590 HydrophobicContact CG-CD2 3.67Å; L583-L590 HydrophobicContact CG-CG 4.39Å; V588-L590 PolarHBondContact O-N 3.3Å; L590-Q594 HydrophobicContact CD2-CB 3.64Å; L590-Q594 HydrophobicContact CD2-CG 4.5Å; L590-I595 HydrophobicContact CB-CD1 4.44Å; L590-I595 HydrophobicContact CB-CG1 3.97Å; L590-I595 HydrophobicContact CD1-CG1 4.25Å
591T68.9Low68.7Low77 Ų7777.7 Ų77.747%0.47242%0.416SS..PPolyproline II helixtrans-79.3156.9165.259.60000111A593 Q594 I595T591-A593 PolarHBondContact O-N 2.87Å; T591-A593 VanDerWaalsContact O-N 3.16Å; T591-Q594 WeakPolarHBondContact O-CA 3.36Å; T591-Q594 WeakPolarHBondContact O-CB 3.3Å; T591-Q594 PolarHBondContact O-N 2.93Å; T591-Q594 VanDerWaalsContact OG1-CG 3.27Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.45Å; T591-Q594 PolarHBondContact OG1-N 3.49Å; T591-Q594 PolarHBondContact OG1-OE1 3.2Å; T591-I595 PolarHBondContact O-N 3.09Å
592D69.2Low68.5Low128 Ų12880.7 Ų80.768%0.68443%0.429SS*.Hα-helixtrans-54.9-35.3177.1-70.9-28.1000113.4Q594 I595 K596D592-Q594 VanDerWaalsContact C-N 3.35Å; D592-I595 PolarHBondContact O-N 2.97Å; D592-K596 PolarHBondContact O-N 3.26Å
593A68.1Low68.6Low73 Ų7381.9 Ų81.960%0.60343%0.433SS*.Hα-helixtrans-64.7-38.9175.700000112.1T591 S597T591-A593 PolarHBondContact O-N 2.87Å; T591-A593 VanDerWaalsContact O-N 3.16Å; A593-S597 PolarHBondContact O-N 3.06Å
594Q66.5Low69.1Low43 Ų4380.7 Ų80.720%0.20143%0.425CS..Hα-helixtrans-71.2-36.3176.9-69.8163.8-31.600111.5L590 T591 D592 S597 L598L590-Q594 HydrophobicContact CD2-CB 3.64Å; L590-Q594 HydrophobicContact CD2-CG 4.5Å; T591-Q594 WeakPolarHBondContact O-CA 3.36Å; T591-Q594 WeakPolarHBondContact O-CB 3.3Å; T591-Q594 PolarHBondContact O-N 2.93Å; T591-Q594 VanDerWaalsContact OG1-CG 3.27Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.45Å; T591-Q594 PolarHBondContact OG1-N 3.49Å; T591-Q594 PolarHBondContact OG1-OE1 3.2Å; D592-Q594 VanDerWaalsContact C-N 3.35Å; Q594-S597 WeakPolarHBondContact O-CB 3.4Å; Q594-S597 PolarHBondContact O-N 3.43Å; Q594-L598 PolarHBondContact O-N 2.78Å
595I69.3Low69.4Low88 Ų8881 Ų8145%0.45143%0.427SS..Hα-helixtrans-61.1-46.6174-62.9171.6000110.6L590 T591 D592 S597 L598 S599L590-I595 HydrophobicContact CB-CD1 4.44Å; L590-I595 HydrophobicContact CB-CG1 3.97Å; L590-I595 HydrophobicContact CD1-CG1 4.25Å; T591-I595 PolarHBondContact O-N 3.09Å; D592-I595 PolarHBondContact O-N 2.97Å; I595-S597 VanDerWaalsContact C-N 3.32Å; I595-S597 PolarHBondContact O-N 3.22Å; I595-L598 WeakPolarHBondContact O-CB 3.4Å; I595-L598 PolarHBondContact O-N 3.38Å; I595-S599 PolarHBondContact O-N 2.78Å
596K72.2Confident69.7Low149 Ų14980.1 Ų80.165%0.64842%0.421SS*.Hα-helixtrans-63.5-34.5174.4-73.8-180-178.8176.90113D592 L598 S599 K600D592-K596 PolarHBondContact O-N 3.26Å; K596-L598 VanDerWaalsContact C-N 3.33Å; K596-S599 PolarHBondContact O-OG 2.89Å; K596-K600 PolarHBondContact O-N 3.34Å
597S72.4Confident70.1Confident53 Ų5372.5 Ų72.537%0.37140%0.401SS..Hα-helixtrans-66-39.2174.1-172.80000111.3A593 Q594 I595 K600 L601A593-S597 PolarHBondContact O-N 3.06Å; Q594-S597 WeakPolarHBondContact O-CB 3.4Å; Q594-S597 PolarHBondContact O-N 3.43Å; I595-S597 VanDerWaalsContact C-N 3.32Å; I595-S597 PolarHBondContact O-N 3.22Å; S597-K600 PolarHBondContact O-N 3.14Å; S597-L601 WeakPolarHBondContact O-CG 3.29Å; S597-L601 PolarHBondContact O-N 3.14Å
598L75.6Confident70.6Confident31 Ų3170.4 Ų70.416%0.16240%0.399CS..Hα-helixtrans-68.9-38.7179.9-16866.1000112L583 Q594 I595 K596 K600 L601 K602 F651L583-L598 HydrophobicContact CD1-CD1 3.77Å; L583-L598 HydrophobicContact CD1-CD2 3.49Å; L583-L598 VanDerWaalsContact CD1-CD2 3.49Å; L583-L598 HydrophobicContact CD1-CG 4.15Å; Q594-L598 PolarHBondContact O-N 2.78Å; I595-L598 WeakPolarHBondContact O-CB 3.4Å; I595-L598 PolarHBondContact O-N 3.38Å; K596-L598 VanDerWaalsContact C-N 3.33Å; L598-K600 PolarHBondContact O-N 3.26Å; L598-L601 PolarHBondContact O-N 3.24Å; L598-K602 WeakPolarHBondContact O-CB 3.39Å; L598-K602 PolarHBondContact O-N 3.48Å; L598-F651 HydrophobicContact CD1-CD1 4.1Å; L598-F651 HydrophobicContact CD1-CE1 3.53Å; L598-F651 HydrophobicContact CD1-CZ 4.28Å; L598-F651 HydrophobicContact CG-CD1 4.23Å; L598-F651 HydrophobicContact CG-CE1 3.81Å
599S77.1Confident70.4Confident54 Ų5471.5 Ų71.538%0.37841%0.409SS..Hα-helixtrans-60.7-44.8175.871.10000111.4I595 K596 L601 K602 D603I595-S599 PolarHBondContact O-N 2.78Å; K596-S599 PolarHBondContact O-OG 2.89Å; S599-L601 VanDerWaalsContact C-N 3.31Å; S599-L601 PolarHBondContact O-N 3.25Å; S599-K602 WeakPolarHBondContact O-CA 3.35Å; S599-K602 VanDerWaalsContact O-CB 3.32Å; S599-K602 WeakPolarHBondContact O-CB 3.33Å; S599-K602 PolarHBondContact O-N 2.9Å; S599-K602 VanDerWaalsContact O-N 3.07Å; S599-D603 PolarHBondContact O-N 3.08Å
600K79.9Confident70.1Confident135 Ų13573.6 Ų73.659%0.58741%0.411SS*.Hα-helixtrans-60.1-37.5175.8-71.5-178.4179.2-176.40113.6K596 S597 L598K596-K600 PolarHBondContact O-N 3.34Å; S597-K600 PolarHBondContact O-N 3.14Å; L598-K600 PolarHBondContact O-N 3.26Å
601L82Confident69.4Low0 Ų075 Ų750%042%0.424CS..Hα-helixtrans-70.7-36.2175.9-68.2175000111.6W574 D577 N581 S597 L598 S599 Y616 F651W574-L601 PolarHBondContact NE1-O 3.18Å; W574-L601 VanDerWaalsContact NE1-O 3.12Å; D577-L601 HydrophobicContact CB-CD2 3.82Å; N581-L601 WeakPolarHBondContact ND2-CD1 3.46Å; S597-L601 WeakPolarHBondContact O-CG 3.29Å; S597-L601 PolarHBondContact O-N 3.14Å; L598-L601 PolarHBondContact O-N 3.24Å; S599-L601 VanDerWaalsContact C-N 3.31Å; S599-L601 PolarHBondContact O-N 3.25Å; L601-Y616 HydrophobicContact CD2-CE2 4.19Å; L601-F651 HydrophobicContact CB-CZ 4.33Å
602K79.1Confident68.3Low73 Ų7378.5 Ų78.532%0.31744%0.439SS..Hα-helixtrans-64.4-47.1175.2-168.5177.4175.6169.60110.9L598 S599 Y604 I605 F606 F651 S654L598-K602 WeakPolarHBondContact O-CB 3.39Å; L598-K602 PolarHBondContact O-N 3.48Å; S599-K602 WeakPolarHBondContact O-CA 3.35Å; S599-K602 VanDerWaalsContact O-CB 3.32Å; S599-K602 WeakPolarHBondContact O-CB 3.33Å; S599-K602 PolarHBondContact O-N 2.9Å; S599-K602 VanDerWaalsContact O-N 3.07Å; K602-Y604 PolarHBondContact O-N 3.13Å; K602-Y604 VanDerWaalsContact O-N 3.13Å; K602-I605 PolarHBondContact O-N 3.03Å; K602-F606 HydrophobicContact CG-CB 4.44Å; K602-F606 HydrophobicContact CG-CD2 3.6Å; K602-F606 HydrophobicContact CG-CE2 4.37Å; K602-F606 HydrophobicContact CG-CG 4.43Å; K602-F606 WeakPolarHBondContact O-CD2 3.25Å; K602-F606 PolarHBondContact O-N 3.06Å; K602-F651 HydrophobicContact CB-CD1 4.38Å; K602-F651 HydrophobicContact CB-CE1 3.72Å; K602-F651 HydrophobicContact CB-CZ 4.1Å; K602-F651 HydrophobicContact CD-CD1 4.49Å; K602-F651 HydrophobicContact CG-CD1 4.38Å; K602-F651 HydrophobicContact CG-CE1 4.17Å; K602-S654 PolarHBondContact NZ-OG 3.38Å
603D77.6Confident67.6Low71 Ų7182 Ų8238%0.3845%0.452SS..Hα-helixtrans-59.9-26.5-177.9-61.9-23.4000113.5S599 F606 P607S599-D603 PolarHBondContact O-N 3.08Å; D603-F606 CarbonylContact O-C 3.57Å; D603-P607 VanDerWaalsContact O-CA 3.24Å; D603-P607 WeakPolarHBondContact O-CA 3.18Å; D603-P607 VanDerWaalsContact O-N 3.09Å
604Y79.6Confident67.4Low15 Ų1580.7 Ų80.76%0.05944%0.438CS..Hα-helixtrans-68.7-38.9175.4174-110.2000113S571 W574 K602 Y616 L618 F668S571-Y604 WeakPolarHBondContact CB-OH 3.31Å; S571-Y604 PolarHBondContact N-OH 2.94Å; W574-Y604 HydrophobicContact CB-CD1 3.95Å; W574-Y604 HydrophobicContact CB-CE1 3.84Å; W574-Y604 AromaticContact CD1-CD1 3.14Å; W574-Y604 AromaticContact CD1-CE1 3.89Å; W574-Y604 AromaticContact CD1-CG 3.6Å; W574-Y604 AromaticContact CD2-CD1 3.49Å; W574-Y604 HydrophobicContact CD2-CD1 3.49Å; W574-Y604 VanDerWaalsContact CD2-CD1 3.49Å; W574-Y604 AromaticContact CD2-CE1 3.58Å; W574-Y604 HydrophobicContact CD2-CE1 3.58Å; W574-Y604 AromaticContact CE2-CD1 3.62Å; W574-Y604 HydrophobicContact CE3-CD1 4.34Å; W574-Y604 HydrophobicContact CE3-CE1 4.02Å; W574-Y604 AromaticContact CG-CD1 3.23Å; W574-Y604 HydrophobicContact CG-CD1 3.23Å; W574-Y604 AromaticContact CG-CE1 3.47Å; W574-Y604 HydrophobicContact CG-CE1 3.47Å; W574-Y604 VanDerWaalsContact CG-CE1 3.47Å; W574-Y604 AromaticContact CG-CG 4Å; W574-Y604 HydrophobicContact CG-CG 4Å; W574-Y604 AromaticContact NE1-CD1 3.34Å; W574-Y604 VanDerWaalsContact NE1-CD1 3.34Å; K602-Y604 PolarHBondContact O-N 3.13Å; K602-Y604 VanDerWaalsContact O-N 3.13Å; Y604-Y616 HydrophobicContact CD2-CG 4.49Å; Y604-Y616 WeakPolarHBondContact CE2-O 3.47Å; Y604-Y616 HydrophobicContact CG-CG 4.46Å; Y604-L618 WeakPolarHBondContact OH-CG 3.09Å; Y604-F668 HydrophobicContact CE1-CE1 4.2Å
605I75.1Confident67.7Low10 Ų1083.7 Ų83.75%0.05146%0.464CS..Hα-helixtrans-85.7-38176.5-60.5165.1000110.5W574 K602 P607 I647 F651W574-I605 HydrophobicContact CH2-CD1 3.77Å; W574-I605 HydrophobicContact CH2-CG1 4.39Å; W574-I605 HydrophobicContact CZ2-CD1 3.18Å; W574-I605 HydrophobicContact CZ2-CG1 3.76Å; K602-I605 PolarHBondContact O-N 3.03Å; I605-P607 VanDerWaalsContact C-CD 3.42Å; I605-P607 VanDerWaalsContact O-CD 3.3Å; I605-P607 WeakPolarHBondContact O-CD 3.26Å; I605-I647 HydrophobicContact CD1-CD1 3.51Å; I605-I647 HydrophobicContact CD1-CG1 3.51Å; I605-I647 HydrophobicContact CG1-CD1 4.4Å; I605-I647 HydrophobicContact CG2-CD1 4.15Å; I605-F651 HydrophobicContact CD1-CE2 4.13Å
606F70.8Confident68.3Low40 Ų4080.8 Ų80.818%0.17545%0.448CS..SBendtrans-120.370.6-175.9-49.2-76.9000110.5K602 D603 S608 I647 F651 F655K602-F606 HydrophobicContact CG-CB 4.44Å; K602-F606 HydrophobicContact CG-CD2 3.6Å; K602-F606 HydrophobicContact CG-CE2 4.37Å; K602-F606 HydrophobicContact CG-CG 4.43Å; K602-F606 WeakPolarHBondContact O-CD2 3.25Å; K602-F606 PolarHBondContact O-N 3.06Å; D603-F606 CarbonylContact O-C 3.57Å; F606-S608 PolarHBondContact O-N 3.25Å; F606-I647 HydrophobicContact CE2-CG2 4.27Å; F606-I647 HydrophobicContact CZ-CG2 4.07Å; F606-F651 HydrophobicContact CE2-CD2 4.48Å; F606-F655 HydrophobicContact CE1-CE2 4.05Å; F606-F655 AromaticContact CE1-CZ 3.91Å; F606-F655 HydrophobicContact CE1-CZ 3.91Å; F606-F655 AromaticContact CE2-CE2 3.98Å; F606-F655 HydrophobicContact CE2-CE2 3.98Å; F606-F655 AromaticContact CZ-CE2 3.29Å; F606-F655 HydrophobicContact CZ-CE2 3.29Å; F606-F655 AromaticContact CZ-CZ 3.45Å; F606-F655 HydrophobicContact CZ-CZ 3.45Å; F606-F655 VanDerWaalsContact CZ-CZ 3.45Å
607P65Low68.5Low65 Ų6576.3 Ų76.342%0.42244%0.438SS..  trans-63.5123.9175.325-31.6000109.3D603 I605 S609D603-P607 VanDerWaalsContact O-CA 3.24Å; D603-P607 WeakPolarHBondContact O-CA 3.18Å; D603-P607 VanDerWaalsContact O-N 3.09Å; I605-P607 VanDerWaalsContact C-CD 3.42Å; I605-P607 VanDerWaalsContact O-CD 3.3Å; I605-P607 WeakPolarHBondContact O-CD 3.26Å; P607-S609 PolarHBondContact O-N 2.82Å
608S58.8Low68.8Low114 Ų11475 Ų7580%0.79743%0.427SS*.SBendtrans-71.9-10.5175.250.20000113.2F606F606-S608 PolarHBondContact O-N 3.25Å
609S52.4Low69.1Low88 Ų8880.9 Ų80.962%0.61545%0.447SS*.SBendtrans-147.1160.8-176.756.20000112P607P607-S609 PolarHBondContact O-N 2.82Å
610L50.6Low69.4Low171 Ų17181.1 Ų81.190%0.89545%0.447SS*.SBendtrans-49.8146.7177.9-122.871.7000112.4
611P47.9Very low69.5Low96 Ų9675.5 Ų75.562%0.62342%0.424SS*.SBendtrans-85130.8-152.932.9-31.6000111.7
612N45.8Very low69.3Low151 Ų15181.3 Ų81.381%0.80747%0.465SS*.  trans178.411.9143.7-92.6-18.8000119
613Q54.7Low69.3Low202 Ų20281 Ų8194%0.94446%0.464SS*.  trans-121.713.6-178-72.3-172-3.600117.3
614S63.8Low69.6Low46 Ų4679.4 Ų79.432%0.32246%0.464SS..  trans-86.1134.2170.781.90000111.2Y616 A617S614-Y616 PolarHBondContact O-N 2.64Å; S614-A617 WeakPolarHBondContact O-CB 3.36Å; S614-A617 PolarHBondContact O-N 2.8Å; S614-A617 VanDerWaalsContact O-N 3.13Å; S614-A617 PolarHBondContact OG-N 2.7Å; S614-A617 VanDerWaalsContact OG-N 3.16Å
615S71.7Confident69.9Low106 Ų10683.2 Ų83.274%0.74148%0.479SS*.THydrogen-bonded Turntrans-62.7-10.3173.356.10000113.7
616Y81.5Confident70.5Confident26 Ų2682.8 Ų82.810%0.10248%0.476CS..THydrogen-bonded Turntrans-95.3-18.5-180-60.2-55.5000113S571 W574 D577 L601 Y604 S614 L618S571-Y616 WeakPolarHBondContact CB-O 3.47Å; S571-Y616 PolarHBondContact OG-O 2.7Å; W574-Y616 HydrophobicContact CB-CD1 3.7Å; W574-Y616 HydrophobicContact CB-CE1 4.36Å; W574-Y616 HydrophobicContact CB-CG 3.91Å; W574-Y616 HydrophobicContact CG-CG 4.45Å; D577-Y616 VanDerWaalsContact OD2-CE1 3.24Å; D577-Y616 WeakPolarHBondContact OD2-CE1 3.36Å; D577-Y616 VanDerWaalsContact OD2-CZ 3.31Å; D577-Y616 PolarHBondContact OD2-OH 3.45Å; L601-Y616 HydrophobicContact CD2-CE2 4.19Å; Y604-Y616 HydrophobicContact CD2-CG 4.49Å; Y604-Y616 WeakPolarHBondContact CE2-O 3.47Å; Y604-Y616 HydrophobicContact CG-CG 4.46Å; S614-Y616 PolarHBondContact O-N 2.64Å; Y616-L618 PolarHBondContact O-N 3.17Å
617A77Confident71.1Confident55 Ų5581 Ų8146%0.45547%0.469SS..PPolyproline II helixtrans-48.9121.3-172.800000112S614S614-A617 WeakPolarHBondContact O-CB 3.36Å; S614-A617 PolarHBondContact O-N 2.8Å; S614-A617 VanDerWaalsContact O-N 3.13Å; S614-A617 PolarHBondContact OG-N 2.7Å; S614-A617 VanDerWaalsContact OG-N 3.16Å
618L79.4Confident71.8Confident26 Ų2678 Ų7814%0.13645%0.45CS..PPolyproline II helixtrans-82.9133.3165-72.5178.9000107.7L569 Y604 Y616 T620 L630L569-L618 VanDerWaalsContact O-CD1 3.23Å; L569-L618 WeakPolarHBondContact O-CD1 3.08Å; Y604-L618 WeakPolarHBondContact OH-CG 3.09Å; Y616-L618 PolarHBondContact O-N 3.17Å; L618-T620 PolarHBondContact O-N 3.32Å; L618-L630 HydrophobicContact CD2-CD1 4.13Å
619R81.4Confident72.7Confident155 Ų15576.5 Ų76.559%0.58543%0.433SS*.PPolyproline II helixtrans-61.1123.1173.9-179.2-179.9176.6-131.75.1108.7P627 D629 L630R619-P627 WeakPolarHBondContact O-CD 3.39Å; R619-D629 IonicContact CZ-OD2 2.85Å; R619-D629 IonicContact NH1-OD1 3.17Å; R619-D629 PolarHBondContact NH1-OD1 3.21Å; R619-D629 IonicContact NH1-OD2 3.37Å; R619-D629 PolarHBondContact NH1-OD2 2.82Å; R619-L630 HydrophobicContact CB-CD2 4.05Å
620T83Confident74Confident59 Ų5973.5 Ų73.536%0.36241%0.41SS..PPolyproline II helixtrans-89.6150.3166.750.80000109.4L618 R625 Q667L618-T620 PolarHBondContact O-N 3.32Å; T620-R625 CarbonylContact C-O 3.53Å; T620-R625 WeakPolarHBondContact CA-O 3.48Å; T620-Q667 HydrophobicContact CG2-CB 4.34Å
621C82.4Confident75.4Confident17 Ų1768.7 Ų68.712%0.11539%0.394CS..PPolyproline II helixtrans-77.3172.6168.663.40000110.9H623 G624 R625 P627 C671 C674C621-H623 PolarHBondContact O-N 3.18Å; C621-H623 VanDerWaalsContact SG-CB 3.56Å; C621-H623 PolarHBondContact SG-N 3.49Å; C621-H623 PolarHBondContact SG-ND1 3.3Å; C621-G624 PolarHBondContact O-N 3.11Å; C621-R625 PolarHBondContact N-O 2.92Å; C621-R625 PolarHBondContact SG-O 3.33Å; C621-P627 HydrophobicContact CB-CB 4.15Å; C621-P627 HydrophobicContact CB-CG 4.5Å; C621-C671 PolarHBondContact SG-SG 3Å; C621-C674 WeakPolarHBondContact CB-SG 3.41Å; C621-C674 VanDerWaalsContact SG-SG 3.68Å
622S78Confident76.5Confident122 Ų12267 Ų6785%0.85339%0.389SS*.THydrogen-bonded Turntrans-55.7-20171.949.50000113.6G624S622-G624 VanDerWaalsContact C-N 3.28Å; S622-G624 PolarHBondContact O-N 3.07Å
623H80.2Confident78.2Confident65 Ų6561 Ų6130%0.30136%0.362SS..THydrogen-bonded Turntrans-84.87.4174.1-40.7111.6000113.9C621 R625 C671 K673C621-H623 PolarHBondContact O-N 3.18Å; C621-H623 VanDerWaalsContact SG-CB 3.56Å; C621-H623 PolarHBondContact SG-N 3.49Å; C621-H623 PolarHBondContact SG-ND1 3.3Å; H623-R625 VanDerWaalsContact C-N 3.28Å; H623-R625 PolarHBondContact O-N 2.85Å; H623-C671 PolarHBondContact ND1-SG 2.88Å; H623-K673 VanDerWaalsContact CD2-CD 3.42Å; H623-K673 WeakPolarHBondContact CD2-CD 3.27Å; H623-K673 VanDerWaalsContact CE1-CB 3.46Å; H623-K673 WeakPolarHBondContact CE1-CB 3.43Å
624G82.2Confident79.6Confident38 Ų3853.4 Ų53.439%0.39233%0.331SS..SBendtrans71.515.1178.900000115.3C621 S622 Q667C621-G624 PolarHBondContact O-N 3.11Å; S622-G624 VanDerWaalsContact C-N 3.28Å; S622-G624 PolarHBondContact O-N 3.07Å; G624-Q667 VanDerWaalsContact O-CA 3.29Å; G624-Q667 WeakPolarHBondContact O-CA 3.41Å
625R86.7Confident80.9Confident96 Ų9652.2 Ų52.236%0.36232%0.32SS..SBendtrans-123.2168.6-176.2-69.6-172.9177.3144.9-2.3112.1T620 C621 H623 P627 C671T620-R625 CarbonylContact C-O 3.53Å; T620-R625 WeakPolarHBondContact CA-O 3.48Å; C621-R625 PolarHBondContact N-O 2.92Å; C621-R625 PolarHBondContact SG-O 3.33Å; H623-R625 VanDerWaalsContact C-N 3.28Å; H623-R625 PolarHBondContact O-N 2.85Å; R625-P627 WeakPolarHBondContact O-CD 3.33Å; R625-C671 HydrophobicContact CB-CB 3.63Å
626V86.8Confident81.7Confident0 Ų047.2 Ų47.20%029%0.285CS..BIsolated β-bridgetrans-70.8123.7177.4-175.20000110.6Y28 L569 L630 Q667 Q669 C671Y28-V626 PolarHBondContact OH-O 3.28Å; L569-V626 HydrophobicContact CB-CG1 4.38Å; L569-V626 HydrophobicContact CB-CG2 4.1Å; L569-V626 HydrophobicContact CD1-CB 3.94Å; L569-V626 HydrophobicContact CD1-CG1 3.75Å; L569-V626 HydrophobicContact CD1-CG2 4.38Å; V626-L630 HydrophobicContact CG1-CD1 3.39Å; V626-L630 HydrophobicContact CG1-CG 4.43Å; V626-Q667 WeakPolarHBondContact CG2-O 3.44Å; V626-Q669 PolarHBondContact N-O 3.04Å; V626-C671 VanDerWaalsContact O-CB 3.22Å; V626-C671 WeakPolarHBondContact O-CB 3.44Å; V626-C671 PolarHBondContact O-N 3.5Å
627P83.5Confident82.1Confident4 Ų446 Ų463%0.02628%0.28CS..  trans-82.1157.8174.533-31.9000112.2Y28 R619 C621 R625 D629 L630Y28-P627 VanDerWaalsContact OH-C 3.32Å; R619-P627 WeakPolarHBondContact O-CD 3.39Å; C621-P627 HydrophobicContact CB-CB 4.15Å; C621-P627 HydrophobicContact CB-CG 4.5Å; R625-P627 WeakPolarHBondContact O-CD 3.33Å; P627-D629 VanDerWaalsContact C-N 3.25Å; P627-D629 WeakPolarHBondContact CB-OD1 3.39Å; P627-D629 WeakPolarHBondContact CG-OD1 3.46Å; P627-D629 PolarHBondContact O-N 2.95Å; P627-L630 HydrophobicContact CG-CG 4.44Å
628I79.9Confident82.7Confident2 Ų243.4 Ų43.41%0.0126%0.259CS..THydrogen-bonded Turntrans-69.1-20.1177.2-166.7-162.9000113.3M1 L5 V27 Y28 L630 N678M1-I628 HydrophobicContact CE-CD1 4.27Å; M1-I628 HydrophobicContact CE-CG1 4.44Å; M1-I628 HydrophobicContact CG-CD1 3.97Å; M1-I628 HydrophobicContact CG-CG1 4.44Å; M1-I628 HydrophobicContact SD-CD1 3.86Å; M1-I628 HydrophobicContact SD-CG1 3.78Å; L5-I628 HydrophobicContact CD1-CD1 3.91Å; L5-I628 HydrophobicContact CD2-CD1 4.3Å; L5-I628 HydrophobicContact CG-CD1 4.49Å; V27-I628 HydrophobicContact CG1-CB 4.41Å; V27-I628 HydrophobicContact CG1-CD1 3.19Å; V27-I628 HydrophobicContact CG1-CG1 3.45Å; V27-I628 VanDerWaalsContact CG1-CG1 3.45Å; Y28-I628 PolarHBondContact OH-N 2.74Å; I628-L630 PolarHBondContact O-N 3.43Å; I628-N678 HydrophobicContact CG2-CB 4.33Å; I628-N678 VanDerWaalsContact CG2-ND2 3.32Å; I628-N678 WeakPolarHBondContact CG2-ND2 3.26Å
629D77.2Confident83.1Confident82 Ų8243.2 Ų43.244%0.43926%0.26SS..THydrogen-bonded Turntrans-79.83.5-171.167.9-15.2000114.4R619 P627R619-D629 IonicContact CZ-OD2 2.85Å; R619-D629 IonicContact NH1-OD1 3.17Å; R619-D629 PolarHBondContact NH1-OD1 3.21Å; R619-D629 IonicContact NH1-OD2 3.37Å; R619-D629 PolarHBondContact NH1-OD2 2.82Å; P627-D629 VanDerWaalsContact C-N 3.25Å; P627-D629 WeakPolarHBondContact CB-OD1 3.39Å; P627-D629 WeakPolarHBondContact CG-OD1 3.46Å; P627-D629 PolarHBondContact O-N 2.95Å
630L80.2Confident83.4Confident25 Ų2536.3 Ų36.313%0.13124%0.235CC..SBendtrans-62.8144.1173.2-67.8-179.2000112.4L618 R619 V626 P627 I628 A632 Y635L618-L630 HydrophobicContact CD2-CD1 4.13Å; R619-L630 HydrophobicContact CB-CD2 4.05Å; V626-L630 HydrophobicContact CG1-CD1 3.39Å; V626-L630 HydrophobicContact CG1-CG 4.43Å; P627-L630 HydrophobicContact CG-CG 4.44Å; I628-L630 PolarHBondContact O-N 3.43Å; L630-A632 PolarHBondContact O-N 3.28Å; L630-Y635 HydrophobicContact CB-CD1 3.76Å; L630-Y635 HydrophobicContact CB-CE1 3.77Å; L630-Y635 HydrophobicContact CD1-CD1 3.88Å; L630-Y635 HydrophobicContact CD1-CE1 4.45Å
631A80Confident83.6Confident70 Ų7040.6 Ų40.658%0.57925%0.248SC*.PPolyproline II helixtrans-60.4132.4178.600000111.2G633 S634A631-G633 PolarHBondContact O-N 3.19Å; A631-G633 VanDerWaalsContact O-N 3.12Å; A631-S634 WeakPolarHBondContact O-CB 3.26Å; A631-S634 PolarHBondContact O-N 2.81Å; A631-S634 PolarHBondContact O-OG 2.84Å
632A71.2Confident83.9Confident61 Ų6139.9 Ų39.950%0.50424%0.244SC..THydrogen-bonded Turntrans-56.8119.3175.600000110.3L630L630-A632 PolarHBondContact O-N 3.28Å
633G81Confident84.4Confident24 Ų2434.1 Ų34.125%0.24720%0.203CC..THydrogen-bonded Turntrans97.5-4.4-177.200000115.9T572 A631 R636T572-G633 WeakPolarHBondContact CB-O 3.28Å; T572-G633 PolarHBondContact OG1-O 3.27Å; A631-G633 PolarHBondContact O-N 3.19Å; A631-G633 VanDerWaalsContact O-N 3.12Å; G633-R636 PolarHBondContact O-NH1 3.4Å
634S85.1Confident84.8Confident42 Ų4234.5 Ų34.529%0.29420%0.204SC..SBendtrans-76.2-23.7173.4600000113.2T572 A631T572-S634 WeakPolarHBondContact CB-O 3.27Å; T572-S634 PolarHBondContact N-O 3.13Å; T572-S634 PolarHBondContact OG1-O 3.2Å; A631-S634 WeakPolarHBondContact O-CB 3.26Å; A631-S634 PolarHBondContact O-N 2.81Å; A631-S634 PolarHBondContact O-OG 2.84Å
635Y89.6Confident84.9Confident22 Ų2236.8 Ų36.89%0.08620%0.203CC..EExtended strand (participates in β ladder)trans-126162179.962.9-93.1000112.2Y28 L569 V570 T572 L630Y28-Y635 HydrophobicContact CD1-CE2 4.2Å; L569-Y635 HydrophobicContact CD2-CD2 3.8Å; L569-Y635 HydrophobicContact CD2-CE2 4.02Å; V570-Y635 CarbonylContact O-C 3.44Å; V570-Y635 WeakPolarHBondContact O-CA 3.09Å; T572-Y635 VanDerWaalsContact OG1-C 3.27Å; T572-Y635 WeakPolarHBondContact OG1-CA 3.38Å; T572-Y635 PolarHBondContact OG1-N 3.3Å; T572-Y635 PolarHBondContact OG1-O 3.33Å; L630-Y635 HydrophobicContact CB-CD1 3.76Å; L630-Y635 HydrophobicContact CB-CE1 3.77Å; L630-Y635 HydrophobicContact CD1-CD1 3.88Å; L630-Y635 HydrophobicContact CD1-CE1 4.45Å
636R89.5Confident85Confident1 Ų132.3 Ų32.30%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-128.9141.1171.6-72.5-63178.3-74.7-0.6111.1S48 C50 L54 L569 V570 T572 L575 G633S48-R636 WeakPolarHBondContact O-CA 3.43Å; S48-R636 WeakPolarHBondContact O-CD 3.41Å; C50-R636 VanDerWaalsContact O-CD 3.31Å; C50-R636 WeakPolarHBondContact O-CD 3.23Å; C50-R636 PolarHBondContact O-NE 3.36Å; L54-R636 HydrophobicContact CD1-CG 4.32Å; L569-R636 WeakPolarHBondContact CA-O 3.45Å; V570-R636 PolarHBondContact N-O 2.87Å; V570-R636 PolarHBondContact O-N 3.13Å; T572-R636 HydrophobicContact CG2-CG 4.38Å; T572-R636 PolarHBondContact OG1-NH1 2.87Å; L575-R636 HydrophobicContact CD2-CB 3.89Å; L575-R636 HydrophobicContact CD2-CG 4.24Å; G633-R636 PolarHBondContact O-NH1 3.4Å
637A89Confident84.9Confident1 Ų132.4 Ų32.41%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-91.6120.2175.400000108.6F30 S48 L545 V567 L569F30-A637 HydrophobicContact CD1-CB 3.9Å; F30-A637 HydrophobicContact CE1-CB 3.43Å; F30-A637 VanDerWaalsContact CE1-CB 3.43Å; F30-A637 HydrophobicContact CZ-CB 4.32Å; S48-A637 PolarHBondContact O-N 2.98Å; L545-A637 HydrophobicContact CD1-CB 3.64Å; V567-A637 HydrophobicContact CG1-CB 4.27Å; L569-A637 HydrophobicContact CD2-CB 3.74Å
638V90.1Very high84.9Confident0 Ų035.7 Ų35.70%021%0.205CC..EExtended strand (participates in β ladder)trans-128.7156.3-180-65.10000109.3L51 L543 S568 V570 L575 T640 L643L51-V638 HydrophobicContact CD2-CG1 4.04Å; L543-V638 HydrophobicContact CB-CG1 4.3Å; L543-V638 HydrophobicContact CD2-CB 4.12Å; L543-V638 HydrophobicContact CD2-CG1 4.19Å; L543-V638 WeakPolarHBondContact O-CA 3.35Å; S568-V638 PolarHBondContact N-O 3.36Å; S568-V638 WeakPolarHBondContact O-CG2 3.32Å; S568-V638 PolarHBondContact O-N 3.44Å; V570-V638 HydrophobicContact CG1-CG2 4.39Å; V570-V638 HydrophobicContact CG2-CG1 4.46Å; V570-V638 HydrophobicContact CG2-CG2 4.08Å; L575-V638 HydrophobicContact CD2-CG1 3.93Å; V638-T640 PolarHBondContact O-N 2.92Å; V638-L643 HydrophobicContact CG2-CB 4.07Å; V638-L643 HydrophobicContact CG2-CD2 4.45Å
639S88.9Confident85.1Confident22 Ų2239.4 Ų39.415%0.15422%0.223CC..EExtended strand (participates in β ladder)trans-59.2131.5168.6173.10000109.8L543 K641 G642 L643L543-S639 PolarHBondContact O-N 2.96Å; S639-K641 PolarHBondContact O-N 3.15Å; S639-K641 PolarHBondContact OG-N 3.41Å; S639-G642 PolarHBondContact O-N 2.85Å; S639-G642 VanDerWaalsContact O-N 3.1Å; S639-G642 PolarHBondContact OG-N 2.68Å; S639-L643 WeakPolarHBondContact O-CB 3.28Å; S639-L643 PolarHBondContact O-N 2.74Å
640T87.4Confident85.3Confident10 Ų1035.9 Ų35.96%0.06120%0.204CC..Hα-helixtrans-56.9-39.6171.9-560000110.4D565 D566 V567 S568 V638 L643 K644 F665D565-T640 PolarHBondContact O-OG1 2.98Å; D566-T640 PolarHBondContact O-N 2.75Å; D566-T640 PolarHBondContact O-OG1 3.05Å; V567-T640 PolarHBondContact N-OG1 2.84Å; S568-T640 PolarHBondContact N-OG1 3.47Å; S568-T640 PolarHBondContact OG-OG1 2.96Å; V638-T640 PolarHBondContact O-N 2.92Å; T640-L643 PolarHBondContact O-N 3.21Å; T640-K644 WeakPolarHBondContact O-CG 3.38Å; T640-K644 PolarHBondContact O-N 3.16Å; T640-F665 HydrophobicContact CG2-CD1 4.4Å
641K86.8Confident85.3Confident148 Ų14835.1 Ų35.164%0.64320%0.2SC*.Hα-helixtrans-63.9-43.2174.4-175178.6-178.3176.40112.3S639 K644 K645S639-K641 PolarHBondContact O-N 3.15Å; S639-K641 PolarHBondContact OG-N 3.41Å; K641-K644 PolarHBondContact O-N 3.3Å; K641-K645 PolarHBondContact O-N 3.33Å; K641-K645 VanDerWaalsContact O-N 3.1Å
642G88.7Confident84.7Confident2 Ų235.9 Ų35.92%0.02120%0.202CC..Hα-helixtrans-63.6-40.4175.300000113N542 S639 K645 L646N542-G642 WeakPolarHBondContact O-CA 3.11Å; S639-G642 PolarHBondContact O-N 2.85Å; S639-G642 VanDerWaalsContact O-N 3.1Å; S639-G642 PolarHBondContact OG-N 2.68Å; G642-K645 PolarHBondContact O-N 2.82Å; G642-L646 PolarHBondContact O-N 2.99Å
643L89.2Confident83.9Confident2 Ų243 Ų431%0.0122%0.221CC..Hα-helixtrans-62.9-46.8175.7179.860.8000111V570 W574 V638 S639 T640 K645 L646 I647 F665V570-L643 HydrophobicContact CG1-CD1 4.07Å; V570-L643 HydrophobicContact CG1-CD2 3.69Å; W574-L643 HydrophobicContact CH2-CD1 3.64Å; W574-L643 HydrophobicContact CZ3-CD1 3.73Å; V638-L643 HydrophobicContact CG2-CB 4.07Å; V638-L643 HydrophobicContact CG2-CD2 4.45Å; S639-L643 WeakPolarHBondContact O-CB 3.28Å; S639-L643 PolarHBondContact O-N 2.74Å; T640-L643 PolarHBondContact O-N 3.21Å; L643-K645 PolarHBondContact O-N 2.86Å; L643-L646 PolarHBondContact O-N 2.63Å; L643-I647 HydrophobicContact CD1-CD1 4.09Å; L643-I647 HydrophobicContact CD1-CG1 4.36Å; L643-I647 HydrophobicContact CG-CD1 3.91Å; L643-I647 WeakPolarHBondContact O-CG1 3.38Å; L643-I647 PolarHBondContact O-N 3.07Å; L643-F665 HydrophobicContact CD2-CD1 4.41Å; L643-F665 HydrophobicContact CD2-CE1 4.21Å
644K87Confident82.6Confident73 Ų7344.4 Ų44.432%0.31723%0.227SC..Hα-helixtrans-55.2-48.4174.4-73.2177.9177.4-1740111.2T640 K641 L646 I647 D648 D662 F665T640-K644 WeakPolarHBondContact O-CG 3.38Å; T640-K644 PolarHBondContact O-N 3.16Å; K641-K644 PolarHBondContact O-N 3.3Å; K644-L646 PolarHBondContact O-N 2.84Å; K644-I647 WeakPolarHBondContact O-CB 3.49Å; K644-I647 PolarHBondContact O-N 3.06Å; K644-D648 PolarHBondContact O-N 3.2Å; K644-D662 IonicContact NZ-OD1 2.67Å; K644-D662 PolarHBondContact NZ-OD1 2.8Å; K644-F665 HydrophobicContact CG-CE1 4.21Å; K644-F665 HydrophobicContact CG-CE2 4.35Å; K644-F665 HydrophobicContact CG-CZ 3.82Å
645K85.8Confident80.9Confident85 Ų8545.5 Ų45.537%0.3723%0.227SC..Hα-helixtrans-58.9-43.3175.3-72.8-175177.8-170.10113.9N542 K641 G642 L643 I647 D648 I649N542-K645 HydrophobicContact CB-CD 4.27Å; N542-K645 PolarHBondContact OD1-NZ 3.35Å; K641-K645 PolarHBondContact O-N 3.33Å; K641-K645 VanDerWaalsContact O-N 3.1Å; G642-K645 PolarHBondContact O-N 2.82Å; L643-K645 PolarHBondContact O-N 2.86Å; K645-I647 VanDerWaalsContact C-N 3.29Å; K645-I647 PolarHBondContact O-N 2.76Å; K645-D648 PolarHBondContact O-N 3.29Å; K645-I649 VanDerWaalsContact O-CG1 3.3Å; K645-I649 WeakPolarHBondContact O-CG1 3.44Å; K645-I649 PolarHBondContact O-N 3.21Å
646L88.2Confident79Confident3 Ų351.6 Ų51.62%0.01626%0.261CS..Hα-helixtrans-61.6-41.6178175.166.3000111.1I539 L543 W574 L575 C578 L584 G642 L643 K644 I649 L650I539-L646 HydrophobicContact CG2-CD1 3.92Å; L543-L646 HydrophobicContact CD1-CD2 4.23Å; L543-L646 HydrophobicContact CD2-CB 4.32Å; L543-L646 HydrophobicContact CD2-CD2 4.24Å; W574-L646 HydrophobicContact CH2-CD2 4.29Å; L575-L646 HydrophobicContact CD1-CD2 3.89Å; C578-L646 HydrophobicContact CB-CD2 4.25Å; L584-L646 HydrophobicContact CD2-CD1 4.13Å; G642-L646 PolarHBondContact O-N 2.99Å; L643-L646 PolarHBondContact O-N 2.63Å; K644-L646 PolarHBondContact O-N 2.84Å; L646-I649 PolarHBondContact O-N 2.72Å; L646-L650 HydrophobicContact CD1-CD1 4.03Å; L646-L650 HydrophobicContact CD1-CG 4.42Å; L646-L650 HydrophobicContact CG-CD1 4.13Å; L646-L650 WeakPolarHBondContact O-CG 3.35Å; L646-L650 PolarHBondContact O-N 2.92Å; L646-L650 VanDerWaalsContact O-N 3.11Å
647I85.2Confident77Confident1 Ų156 Ų561%0.00530%0.297CS..Hα-helixtrans-63.1-45.6176.3-67.8170.8000109.7I605 F606 L643 K644 K645 I649 L650 F651 F655 F665I605-I647 HydrophobicContact CD1-CD1 3.51Å; I605-I647 HydrophobicContact CD1-CG1 3.51Å; I605-I647 HydrophobicContact CG1-CD1 4.4Å; I605-I647 HydrophobicContact CG2-CD1 4.15Å; F606-I647 HydrophobicContact CE2-CG2 4.27Å; F606-I647 HydrophobicContact CZ-CG2 4.07Å; L643-I647 HydrophobicContact CD1-CD1 4.09Å; L643-I647 HydrophobicContact CD1-CG1 4.36Å; L643-I647 HydrophobicContact CG-CD1 3.91Å; L643-I647 WeakPolarHBondContact O-CG1 3.38Å; L643-I647 PolarHBondContact O-N 3.07Å; K644-I647 WeakPolarHBondContact O-CB 3.49Å; K644-I647 PolarHBondContact O-N 3.06Å; K645-I647 VanDerWaalsContact C-N 3.29Å; K645-I647 PolarHBondContact O-N 2.76Å; I647-I649 VanDerWaalsContact C-N 3.33Å; I647-I649 PolarHBondContact O-N 3Å; I647-L650 PolarHBondContact O-N 3.06Å; I647-F651 HydrophobicContact CB-CD2 4.29Å; I647-F651 HydrophobicContact CG2-CD2 3.71Å; I647-F651 HydrophobicContact CG2-CE2 4.33Å; I647-F651 WeakPolarHBondContact O-CB 3.43Å; I647-F651 WeakPolarHBondContact O-CD2 3.39Å; I647-F651 PolarHBondContact O-N 2.72Å; I647-F655 HydrophobicContact CG2-CD2 4.19Å; I647-F655 HydrophobicContact CG2-CE2 3.26Å; I647-F655 HydrophobicContact CG2-CZ 3.64Å; I647-F665 HydrophobicContact CD1-CE1 4.27Å; I647-F665 HydrophobicContact CD1-CZ 4.42Å
648D83Confident75Confident74 Ų7459.9 Ų59.940%0.39632%0.317SS..Hα-helixtrans-59.8-41.6177.6-62.8-26.6000112.1K644 K645 S652K644-D648 PolarHBondContact O-N 3.2Å; K645-D648 PolarHBondContact O-N 3.29Å; D648-S652 WeakPolarHBondContact O-CA 3.29Å; D648-S652 WeakPolarHBondContact O-CB 3.33Å; D648-S652 PolarHBondContact O-N 2.91Å
649I83Confident72.9Confident79 Ų7969.1 Ų69.141%0.40536%0.36SS..Hα-helixtrans-62.4-46.6177.1-68164.2000110.9I539 L584 K645 L646 I647I539-I649 HydrophobicContact CD1-CD1 4.49Å; I539-I649 HydrophobicContact CG1-CD1 4.15Å; L584-I649 HydrophobicContact CD2-CG2 3.68Å; K645-I649 VanDerWaalsContact O-CG1 3.3Å; K645-I649 WeakPolarHBondContact O-CG1 3.44Å; K645-I649 PolarHBondContact O-N 3.21Å; L646-I649 PolarHBondContact O-N 2.72Å; I647-I649 VanDerWaalsContact C-N 3.33Å; I647-I649 PolarHBondContact O-N 3Å
650L82.8Confident71Confident8 Ų873.1 Ų73.14%0.04239%0.388CS..Hα-helixtrans-76.6-27-176.2-69.5172.7000113.1C578 N581 L583 L584 L646 I647C578-L650 HydrophobicContact CB-CD1 3.89Å; N581-L650 HydrophobicContact CB-CD2 4.16Å; L583-L650 HydrophobicContact CB-CD2 4.14Å; L584-L650 HydrophobicContact CD2-CD2 3.72Å; L584-L650 HydrophobicContact CD2-CG 4.14Å; L584-L650 HydrophobicContact CG-CD2 4.13Å; L646-L650 HydrophobicContact CD1-CD1 4.03Å; L646-L650 HydrophobicContact CD1-CG 4.42Å; L646-L650 HydrophobicContact CG-CD1 4.13Å; L646-L650 WeakPolarHBondContact O-CG 3.35Å; L646-L650 PolarHBondContact O-N 2.92Å; L646-L650 VanDerWaalsContact O-N 3.11Å; I647-L650 PolarHBondContact O-N 3.06Å
651F80.5Confident69.4Low9 Ų976.2 Ų76.24%0.03940%0.402CS..Hα-helixtrans-128.126.5-168.9-50.2-65.5000114.4L598 L601 K602 I605 F606 I647 K653 S654 F655L598-F651 HydrophobicContact CD1-CD1 4.1Å; L598-F651 HydrophobicContact CD1-CE1 3.53Å; L598-F651 HydrophobicContact CD1-CZ 4.28Å; L598-F651 HydrophobicContact CG-CD1 4.23Å; L598-F651 HydrophobicContact CG-CE1 3.81Å; L601-F651 HydrophobicContact CB-CZ 4.33Å; K602-F651 HydrophobicContact CB-CD1 4.38Å; K602-F651 HydrophobicContact CB-CE1 3.72Å; K602-F651 HydrophobicContact CB-CZ 4.1Å; K602-F651 HydrophobicContact CD-CD1 4.49Å; K602-F651 HydrophobicContact CG-CD1 4.38Å; K602-F651 HydrophobicContact CG-CE1 4.17Å; I605-F651 HydrophobicContact CD1-CE2 4.13Å; F606-F651 HydrophobicContact CE2-CD2 4.48Å; I647-F651 HydrophobicContact CB-CD2 4.29Å; I647-F651 HydrophobicContact CG2-CD2 3.71Å; I647-F651 HydrophobicContact CG2-CE2 4.33Å; I647-F651 WeakPolarHBondContact O-CB 3.43Å; I647-F651 WeakPolarHBondContact O-CD2 3.39Å; I647-F651 PolarHBondContact O-N 2.72Å; F651-K653 PolarHBondContact O-N 3.15Å; F651-S654 PolarHBondContact O-N 2.86Å; F651-S654 VanDerWaalsContact O-N 3.07Å; F651-S654 PolarHBondContact O-OG 3.43Å; F651-F655 HydrophobicContact CB-CD2 4.47Å
652S67Low68Low87 Ų8774.6 Ų74.661%0.60840%0.4SS*.THydrogen-bonded Turntrans-45.7-32.9-171.3-179.60000116.6D648D648-S652 WeakPolarHBondContact O-CA 3.29Å; D648-S652 WeakPolarHBondContact O-CB 3.33Å; D648-S652 PolarHBondContact O-N 2.91Å
653K54.6Low66.9Low210 Ų21078 Ų7891%0.91343%0.428SS*.THydrogen-bonded Turntrans-90.80.1-175.9-68.7-170.5178.2-1780115.7F651F651-K653 PolarHBondContact O-N 3.15Å
654S52.7Low65.9Low54 Ų5482.1 Ų82.138%0.37844%0.443SS..SBendtrans-1226.2-174.752.40000115.1K602 F651K602-S654 PolarHBondContact NZ-OG 3.38Å; F651-S654 PolarHBondContact O-N 2.86Å; F651-S654 VanDerWaalsContact O-N 3.07Å; F651-S654 PolarHBondContact O-OG 3.43Å
655F49.8Very low65.5Low65 Ų6580 Ų8029%0.28543%0.434SS..  trans-98.9-17.4-171.2-119.6-88.4000115.7F606 I647 F651 A657F606-F655 HydrophobicContact CE1-CE2 4.05Å; F606-F655 AromaticContact CE1-CZ 3.91Å; F606-F655 HydrophobicContact CE1-CZ 3.91Å; F606-F655 AromaticContact CE2-CE2 3.98Å; F606-F655 HydrophobicContact CE2-CE2 3.98Å; F606-F655 AromaticContact CZ-CE2 3.29Å; F606-F655 HydrophobicContact CZ-CE2 3.29Å; F606-F655 AromaticContact CZ-CZ 3.45Å; F606-F655 HydrophobicContact CZ-CZ 3.45Å; F606-F655 VanDerWaalsContact CZ-CZ 3.45Å; I647-F655 HydrophobicContact CG2-CD2 4.19Å; I647-F655 HydrophobicContact CG2-CE2 3.26Å; I647-F655 HydrophobicContact CG2-CZ 3.64Å; F651-F655 HydrophobicContact CB-CD2 4.47Å; F655-A657 PolarHBondContact O-N 3.43Å
656D49Very low65.2Low150 Ų15079 Ų7980%0.80243%0.433SS*.THydrogen-bonded Turntrans-65.2-12.8-175.5-73.1-29.4000114.3
657A47.9Very low64.9Low92 Ų9281.9 Ų81.976%0.7645%0.446SS*.THydrogen-bonded Turntrans-97.52.2-170.900000116.3F655F655-A657 PolarHBondContact O-N 3.43Å
658I48Very low65.1Low83 Ų8382.2 Ų82.243%0.42645%0.448SS..  trans-136.780.8-174.4-45.8176.8000111.2E661I658-E661 HydrophobicContact CG2-CG 3.98Å; I658-E661 VanDerWaalsContact CG2-OE2 3.27Å; I658-E661 WeakPolarHBondContact CG2-OE2 3.38Å
659Q45.3Very low65.3Low195 Ų19579.2 Ų79.291%0.91143%0.431SS*.  trans-90.521.8-177.1-77.3-166.3-8.100115.6
660S49.2Very low65.4Low106 Ų10675.8 Ų75.874%0.74141%0.414SS*.  trans-146.456.5-177.972.50000115.8
661E54.2Low65.6Low75 Ų7575.4 Ų75.435%0.3541%0.412SS..  trans-147.554.1-177.1-66.1-175.114000116.4I658 A663 R664I658-E661 HydrophobicContact CG2-CG 3.98Å; I658-E661 VanDerWaalsContact CG2-OE2 3.27Å; I658-E661 WeakPolarHBondContact CG2-OE2 3.38Å; E661-A663 PolarHBondContact O-N 2.88Å; E661-R664 PolarHBondContact O-N 3.39Å; E661-R664 IonicContact OE1-CZ 3.86Å; E661-R664 IonicContact OE1-NE 2.8Å; E661-R664 PolarHBondContact OE1-NE 2.68Å; E661-R664 IonicContact OE1-NH2 3.2Å; E661-R664 PolarHBondContact OE1-NH2 3.45Å; E661-R664 IonicContact OE2-CZ 3.99Å; E661-R664 IonicContact OE2-NE 2.86Å; E661-R664 PolarHBondContact OE2-NE 3.19Å; E661-R664 IonicContact OE2-NH1 3.97Å; E661-R664 IonicContact OE2-NH2 2.93Å; E661-R664 PolarHBondContact OE2-NH2 2.81Å
662D57.6Low65.6Low114 Ų11478.4 Ų78.461%0.6142%0.424SS*.G310 helixtrans-61.4-26.5163.4-86.4-39.2000112.1K644 R664 F665K644-D662 IonicContact NZ-OD1 2.67Å; K644-D662 PolarHBondContact NZ-OD1 2.8Å; D662-R664 VanDerWaalsContact C-N 3.27Å; D662-R664 PolarHBondContact O-N 2.87Å; D662-F665 PolarHBondContact O-N 3.38Å; D662-F665 VanDerWaalsContact O-N 3.17Å
663A64.7Low66.2Low73 Ų7377.5 Ų77.560%0.60341%0.408SS*.G310 helixtrans-62.1-24.8179.500000114.6E661 F665 D666E661-A663 PolarHBondContact O-N 2.88Å; A663-F665 VanDerWaalsContact C-N 3.34Å; A663-D666 VanDerWaalsContact O-CB 3.23Å; A663-D666 WeakPolarHBondContact O-CB 3.37Å; A663-D666 PolarHBondContact O-N 3.14Å
664R69.2Low67.7Low88 Ų8868.1 Ų68.133%0.33237%0.369SS..G310 helixtrans-76-22.1178.5-77.1-154.1-117.4163.4-1.4113.3E661 D662 D666 Q667E661-R664 PolarHBondContact O-N 3.39Å; E661-R664 IonicContact OE1-CZ 3.86Å; E661-R664 IonicContact OE1-NE 2.8Å; E661-R664 PolarHBondContact OE1-NE 2.68Å; E661-R664 IonicContact OE1-NH2 3.2Å; E661-R664 PolarHBondContact OE1-NH2 3.45Å; E661-R664 IonicContact OE2-CZ 3.99Å; E661-R664 IonicContact OE2-NE 2.86Å; E661-R664 PolarHBondContact OE2-NE 3.19Å; E661-R664 IonicContact OE2-NH1 3.97Å; E661-R664 IonicContact OE2-NH2 2.93Å; E661-R664 PolarHBondContact OE2-NH2 2.81Å; D662-R664 VanDerWaalsContact C-N 3.27Å; D662-R664 PolarHBondContact O-N 2.87Å; R664-D666 PolarHBondContact O-N 3.24Å; R664-Q667 WeakPolarHBondContact O-CG 3.43Å; R664-Q667 PolarHBondContact O-NE2 3.39Å
665F78.4Confident69.1Low29 Ų2965.5 Ų65.513%0.12735%0.351CS..G310 helixtrans-74.3-14.5173.7-72.5-83.9000112T640 L643 K644 I647 D662 A663 Q667 F668T640-F665 HydrophobicContact CG2-CD1 4.4Å; L643-F665 HydrophobicContact CD2-CD1 4.41Å; L643-F665 HydrophobicContact CD2-CE1 4.21Å; K644-F665 HydrophobicContact CG-CE1 4.21Å; K644-F665 HydrophobicContact CG-CE2 4.35Å; K644-F665 HydrophobicContact CG-CZ 3.82Å; I647-F665 HydrophobicContact CD1-CE1 4.27Å; I647-F665 HydrophobicContact CD1-CZ 4.42Å; D662-F665 PolarHBondContact O-N 3.38Å; D662-F665 VanDerWaalsContact O-N 3.17Å; A663-F665 VanDerWaalsContact C-N 3.34Å; F665-Q667 PolarHBondContact O-N 2.81Å; F665-F668 HydrophobicContact CD1-CD2 4.23Å; F665-F668 PolarHBondContact O-N 3.27Å
666D79.1Confident70.5Confident64 Ų6463.6 Ų63.634%0.34235%0.345SS..G310 helixtrans-57.4-31176-69-23.2000112.5A663 R664 F668 Q669A663-D666 VanDerWaalsContact O-CB 3.23Å; A663-D666 WeakPolarHBondContact O-CB 3.37Å; A663-D666 PolarHBondContact O-N 3.14Å; R664-D666 PolarHBondContact O-N 3.24Å; D666-F668 PolarHBondContact O-N 2.94Å; D666-Q669 VanDerWaalsContact O-CB 3.29Å; D666-Q669 WeakPolarHBondContact O-CB 3.38Å; D666-Q669 PolarHBondContact O-N 3Å
667Q82.5Confident72.1Confident64 Ų6458.2 Ų58.230%0.29932%0.316SS..G310 helixtrans-64.7-24.3177.878.3-174.9-45.900113.6T620 G624 V626 R664 F665T620-Q667 HydrophobicContact CG2-CB 4.34Å; G624-Q667 VanDerWaalsContact O-CA 3.29Å; G624-Q667 WeakPolarHBondContact O-CA 3.41Å; V626-Q667 WeakPolarHBondContact CG2-O 3.44Å; R664-Q667 WeakPolarHBondContact O-CG 3.43Å; R664-Q667 PolarHBondContact O-NE2 3.39Å; F665-Q667 PolarHBondContact O-N 2.81Å
668F87.9Confident73.8Confident8 Ų855.8 Ų55.84%0.03529%0.29CS..G310 helixtrans-91.6-2.3176.3-56-61.5000112L569 V570 Y604 F665 D666L569-F668 WeakPolarHBondContact CB-O 3.29Å; L569-F668 PolarHBondContact N-O 2.87Å; L569-F668 WeakPolarHBondContact O-CD1 3.46Å; V570-F668 HydrophobicContact CG1-CD1 4.4Å; Y604-F668 HydrophobicContact CE1-CE1 4.2Å; F665-F668 HydrophobicContact CD1-CD2 4.23Å; F665-F668 PolarHBondContact O-N 3.27Å; D666-F668 PolarHBondContact O-N 2.94Å
669Q87.4Confident75.4Confident10 Ų1052.1 Ų52.15%0.04727%0.271CS..SBendtrans-82.7149.1-179.7-65.8-64.7-27.100112.4L564 D565 V567 V626 D666L564-Q669 PolarHBondContact O-OE1 3.43Å; D565-Q669 PolarHBondContact O-NE2 2.96Å; V567-Q669 VanDerWaalsContact O-CD 3.28Å; V567-Q669 PolarHBondContact O-NE2 3.17Å; V567-Q669 PolarHBondContact O-OE1 2.93Å; V626-Q669 PolarHBondContact N-O 3.04Å; D666-Q669 VanDerWaalsContact O-CB 3.29Å; D666-Q669 WeakPolarHBondContact O-CB 3.38Å; D666-Q669 PolarHBondContact O-N 3Å
670P86.4Confident77Confident7 Ų743 Ų435%0.04523%0.229CC..BIsolated β-bridgetrans-58131.5170-28.838.7000114.2V24 Y28 F30 L564 L569 R672V24-P670 HydrophobicContact CG1-CB 3.6Å; V24-P670 HydrophobicContact CG1-CG 4.17Å; Y28-P670 HydrophobicContact CD2-CB 3.97Å; Y28-P670 HydrophobicContact CD2-CG 4.34Å; Y28-P670 HydrophobicContact CE2-CB 3.52Å; Y28-P670 HydrophobicContact CE2-CG 4.28Å; F30-P670 HydrophobicContact CE2-CG 4.21Å; F30-P670 HydrophobicContact CZ-CG 4.21Å; L564-P670 HydrophobicContact CD2-CB 4.02Å; L564-P670 HydrophobicContact CD2-CG 3.74Å; L569-P670 HydrophobicContact CD1-CG 4.1Å; P670-R672 PolarHBondContact O-N 3.25Å
671C85.8Confident78.7Confident1 Ų139.1 Ų39.11%0.00720%0.2CC..  trans-83.3108175.3-172.30000113.3C621 H623 R625 V626 C674 I675C621-C671 PolarHBondContact SG-SG 3Å; H623-C671 PolarHBondContact ND1-SG 2.88Å; R625-C671 HydrophobicContact CB-CB 3.63Å; V626-C671 VanDerWaalsContact O-CB 3.22Å; V626-C671 WeakPolarHBondContact O-CB 3.44Å; V626-C671 PolarHBondContact O-N 3.5Å; C671-C674 HydrophobicContact CB-CB 3.98Å; C671-C674 PolarHBondContact SG-N 3.16Å; C671-C674 VanDerWaalsContact SG-N 3.43Å; C671-I675 WeakPolarHBondContact O-CG1 2.81Å; C671-I675 PolarHBondContact O-N 3.21Å
672R81.7Confident80Confident72 Ų7236.4 Ų36.427%0.27219%0.188SC..Hα-helixtrans-61.1-45.4173.8-67.8-175.8-178.4179.2-0.2113.1V24 P670 C674 I675 T676 D757V24-R672 HydrophobicContact CG2-CG 4.14Å; P670-R672 PolarHBondContact O-N 3.25Å; R672-C674 VanDerWaalsContact C-N 3.33Å; R672-C674 PolarHBondContact O-N 3.04Å; R672-I675 WeakPolarHBondContact O-CB 3.12Å; R672-I675 PolarHBondContact O-N 2.86Å; R672-T676 PolarHBondContact O-N 2.55Å; R672-T676 VanDerWaalsContact O-N 3.07Å; R672-T676 PolarHBondContact O-OG1 3.36Å; R672-D757 IonicContact NH1-OD2 2.74Å
673K79.9Confident81.1Confident67 Ų6733.8 Ų33.829%0.29117%0.171SC..Hα-helixtrans-57.3-42.7-180-66.8-172175.1-158.50112.5H623 I675 T676 L677 Y754 D755H623-K673 VanDerWaalsContact CD2-CD 3.42Å; H623-K673 WeakPolarHBondContact CD2-CD 3.27Å; H623-K673 VanDerWaalsContact CE1-CB 3.46Å; H623-K673 WeakPolarHBondContact CE1-CB 3.43Å; K673-I675 VanDerWaalsContact C-N 3.32Å; K673-I675 PolarHBondContact O-N 3.23Å; K673-T676 PolarHBondContact O-N 2.82Å; K673-L677 PolarHBondContact O-N 3.45Å; K673-Y754 WeakPolarHBondContact CE-O 2.87Å; K673-Y754 PolarHBondContact NZ-O 3.31Å; K673-D755 IonicContact NZ-OD1 3.8Å; K673-D755 PolarHBondContact NZ-OD1 3.33Å
674C84.2Confident82.1Confident13 Ų1331.2 Ų31.29%0.08815%0.148CC..Hα-helixtrans-65.3-33175.7-72.20000113.2C621 C671 R672 N678C621-C674 WeakPolarHBondContact CB-SG 3.41Å; C621-C674 VanDerWaalsContact SG-SG 3.68Å; C671-C674 HydrophobicContact CB-CB 3.98Å; C671-C674 PolarHBondContact SG-N 3.16Å; C671-C674 VanDerWaalsContact SG-N 3.43Å; R672-C674 VanDerWaalsContact C-N 3.33Å; R672-C674 PolarHBondContact O-N 3.04Å; C674-N678 WeakPolarHBondContact O-CB 3.49Å; C674-N678 PolarHBondContact O-N 3.32Å; C674-N678 PolarHBondContact O-ND2 3.22Å
675I82Confident83Confident0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-66-47.6175.2-61.7167.8000109.5V19 V23 V24 V27 Y28 C671 R672 K673 L677 N678 I679V19-I675 HydrophobicContact CG1-CB 4.2Å; V19-I675 HydrophobicContact CG1-CD1 4.19Å; V19-I675 HydrophobicContact CG1-CG2 3.95Å; V19-I675 HydrophobicContact CG2-CB 4.46Å; V19-I675 HydrophobicContact CG2-CG2 4.07Å; V23-I675 HydrophobicContact CG1-CG2 4.11Å; V24-I675 HydrophobicContact CB-CD1 4.19Å; V24-I675 HydrophobicContact CG1-CD1 3.89Å; V24-I675 HydrophobicContact CG2-CD1 3.83Å; V27-I675 HydrophobicContact CG1-CD1 4.22Å; V27-I675 HydrophobicContact CG1-CG1 4.15Å; V27-I675 HydrophobicContact CG2-CG2 4.12Å; Y28-I675 HydrophobicContact CE2-CD1 3.98Å; Y28-I675 HydrophobicContact CE2-CG1 4.47Å; C671-I675 WeakPolarHBondContact O-CG1 2.81Å; C671-I675 PolarHBondContact O-N 3.21Å; R672-I675 WeakPolarHBondContact O-CB 3.12Å; R672-I675 PolarHBondContact O-N 2.86Å; K673-I675 VanDerWaalsContact C-N 3.32Å; K673-I675 PolarHBondContact O-N 3.23Å; I675-L677 PolarHBondContact O-N 3.03Å; I675-N678 PolarHBondContact O-N 2.84Å; I675-I679 HydrophobicContact CG2-CD1 3.84Å; I675-I679 HydrophobicContact CG2-CG1 4.42Å; I675-I679 WeakPolarHBondContact O-CG1 3.13Å; I675-I679 PolarHBondContact O-N 3.5Å
676T81Confident83.3Confident25 Ų2529.5 Ų29.515%0.15315%0.145CC..Hα-helixtrans-55.6-51.3177.9-500000111.3V19 R672 K673 N678 I679 A680 Y751V19-T676 WeakPolarHBondContact CG2-OG1 3.16Å; R672-T676 PolarHBondContact O-N 2.55Å; R672-T676 VanDerWaalsContact O-N 3.07Å; R672-T676 PolarHBondContact O-OG1 3.36Å; K673-T676 PolarHBondContact O-N 2.82Å; T676-N678 VanDerWaalsContact C-N 3.34Å; T676-N678 PolarHBondContact O-N 3.37Å; T676-I679 PolarHBondContact O-N 2.87Å; T676-A680 PolarHBondContact O-N 2.68Å; T676-Y751 HydrophobicContact CG2-CD1 4Å; T676-Y751 HydrophobicContact CG2-CE1 3.98Å
677L82.2Confident83.7Confident36 Ų3628.4 Ų28.419%0.18815%0.145CC..Hα-helixtrans-58.4-43.3176.8173.963.5000112.2K673 I675 I679 A680 L681 R748 Y751K673-L677 PolarHBondContact O-N 3.45Å; I675-L677 PolarHBondContact O-N 3.03Å; L677-I679 PolarHBondContact O-N 3.27Å; L677-A680 PolarHBondContact O-N 3.09Å; L677-L681 HydrophobicContact CD1-CD1 4.11Å; L677-L681 HydrophobicContact CD1-CG 4.11Å; L677-L681 HydrophobicContact CG-CD1 4.07Å; L677-L681 HydrophobicContact CG-CG 4.47Å; L677-L681 WeakPolarHBondContact O-CB 3.31Å; L677-L681 WeakPolarHBondContact O-CG 3.49Å; L677-L681 PolarHBondContact O-N 3.39Å; L677-R748 HydrophobicContact CD1-CG 4.4Å; L677-Y751 HydrophobicContact CD1-CG 4.43Å
678N83.5Confident84.1Confident42 Ų4225.6 Ų25.623%0.22513%0.131CC..Hα-helixtrans-66-37.5179.5-88.3-83000112.5I628 C674 I675 T676 L681 I682I628-N678 HydrophobicContact CG2-CB 4.33Å; I628-N678 VanDerWaalsContact CG2-ND2 3.32Å; I628-N678 WeakPolarHBondContact CG2-ND2 3.26Å; C674-N678 WeakPolarHBondContact O-CB 3.49Å; C674-N678 PolarHBondContact O-N 3.32Å; C674-N678 PolarHBondContact O-ND2 3.22Å; I675-N678 PolarHBondContact O-N 2.84Å; T676-N678 VanDerWaalsContact C-N 3.34Å; T676-N678 PolarHBondContact O-N 3.37Å; N678-L681 PolarHBondContact O-N 2.7Å; N678-I682 VanDerWaalsContact O-CG1 3.29Å; N678-I682 WeakPolarHBondContact O-CG1 3.22Å; N678-I682 PolarHBondContact O-N 3.3Å
679I80.4Confident84.1Confident6 Ų629.9 Ų29.93%0.03115%0.15CC..Hα-helixtrans-65.2-43.7174.6-64.1169.5000110L5 V17 V19 V23 I675 T676 L677 L681 I682 K683L5-I679 HydrophobicContact CD2-CD1 4.23Å; L5-I679 HydrophobicContact CD2-CG1 3.71Å; V17-I679 HydrophobicContact CB-CG2 4.38Å; V17-I679 HydrophobicContact CG1-CD1 3.74Å; V17-I679 HydrophobicContact CG1-CG2 4.11Å; V17-I679 HydrophobicContact CG2-CG2 3.81Å; V19-I679 HydrophobicContact CG2-CD1 4.45Å; V23-I679 HydrophobicContact CG1-CD1 4.42Å; I675-I679 HydrophobicContact CG2-CD1 3.84Å; I675-I679 HydrophobicContact CG2-CG1 4.42Å; I675-I679 WeakPolarHBondContact O-CG1 3.13Å; I675-I679 PolarHBondContact O-N 3.5Å; T676-I679 PolarHBondContact O-N 2.87Å; L677-I679 PolarHBondContact O-N 3.27Å; I679-L681 PolarHBondContact O-N 3.33Å; I679-I682 PolarHBondContact O-N 2.97Å; I679-K683 PolarHBondContact O-N 3.33Å
680A80.6Confident84Confident3 Ų334.2 Ų34.23%0.02517%0.17CC..Hα-helixtrans-62.2-41.5176.400000113.1T676 L677 I682 K683 V684 T747 Y751T676-A680 PolarHBondContact O-N 2.68Å; L677-A680 PolarHBondContact O-N 3.09Å; A680-I682 VanDerWaalsContact C-N 3.33Å; A680-I682 PolarHBondContact O-N 3.14Å; A680-K683 VanDerWaalsContact O-CA 3.31Å; A680-K683 WeakPolarHBondContact O-CA 3.37Å; A680-K683 VanDerWaalsContact O-CB 3.23Å; A680-K683 WeakPolarHBondContact O-CB 3.36Å; A680-K683 PolarHBondContact O-N 3.33Å; A680-V684 PolarHBondContact O-N 3.26Å; A680-T747 HydrophobicContact CB-CG2 4.06Å; A680-Y751 HydrophobicContact CB-CD1 4.03Å; A680-Y751 HydrophobicContact CB-CD2 3.7Å; A680-Y751 HydrophobicContact CB-CE1 3.66Å; A680-Y751 HydrophobicContact CB-CE2 3.32Å; A680-Y751 HydrophobicContact CB-CG 4.04Å
681L84.4Confident84.1Confident25 Ų2534.3 Ų34.313%0.13117%0.171CC..Hα-helixtrans-65.1-37.8175.4-74.6173000111.9L677 N678 I679 K683 V684 E685 T747 R748L677-L681 HydrophobicContact CD1-CD1 4.11Å; L677-L681 HydrophobicContact CD1-CG 4.11Å; L677-L681 HydrophobicContact CG-CD1 4.07Å; L677-L681 HydrophobicContact CG-CG 4.47Å; L677-L681 WeakPolarHBondContact O-CB 3.31Å; L677-L681 WeakPolarHBondContact O-CG 3.49Å; L677-L681 PolarHBondContact O-N 3.39Å; N678-L681 PolarHBondContact O-N 2.7Å; I679-L681 PolarHBondContact O-N 3.33Å; L681-K683 PolarHBondContact O-N 3.05Å; L681-V684 PolarHBondContact O-N 3.26Å; L681-E685 WeakPolarHBondContact O-CB 3.45Å; L681-E685 VanDerWaalsContact O-CG 3.24Å; L681-E685 WeakPolarHBondContact O-CG 3.37Å; L681-E685 PolarHBondContact O-N 3.5Å; L681-T747 HydrophobicContact CD2-CG2 3.93Å; L681-T747 HydrophobicContact CG-CG2 4.41Å; L681-R748 HydrophobicContact CD1-CG 4.31Å; L681-R748 HydrophobicContact CD2-CG 3.92Å
682I81.9Confident84.4Confident18 Ų1834.9 Ų34.99%0.09218%0.175CC..Hα-helixtrans-62.5-38.9171.7-68166.8000109.8L5 W9 N678 I679 A680 V684 E685 N686L5-I682 HydrophobicContact CB-CD1 3.41Å; L5-I682 VanDerWaalsContact CB-CD1 3.41Å; L5-I682 HydrophobicContact CD1-CD1 3.44Å; L5-I682 VanDerWaalsContact CD1-CD1 3.44Å; L5-I682 HydrophobicContact CG-CD1 4.05Å; W9-I682 HydrophobicContact CE3-CG2 3.99Å; W9-I682 HydrophobicContact CZ3-CG2 3.98Å; W9-I682 WeakPolarHBondContact CZ3-O 3.46Å; N678-I682 VanDerWaalsContact O-CG1 3.29Å; N678-I682 WeakPolarHBondContact O-CG1 3.22Å; N678-I682 PolarHBondContact O-N 3.3Å; I679-I682 PolarHBondContact O-N 2.97Å; A680-I682 VanDerWaalsContact C-N 3.33Å; A680-I682 PolarHBondContact O-N 3.14Å; I682-V684 PolarHBondContact O-N 2.76Å; I682-E685 PolarHBondContact O-N 3.19Å; I682-N686 PolarHBondContact O-N 3.03Å
683K80.8Confident84.7Confident59 Ų5937.6 Ų37.626%0.25719%0.188SC..Hα-helixtrans-49.9-55171.7-74-175.6174.1-167.70112.9W9 I679 A680 L681 A687W9-K683 HydrophobicContact CD2-CG 4.3Å; W9-K683 HydrophobicContact CE3-CB 4.47Å; W9-K683 HydrophobicContact CE3-CG 3.57Å; W9-K683 HydrophobicContact CH2-CB 3.93Å; W9-K683 HydrophobicContact CH2-CG 3.64Å; W9-K683 HydrophobicContact CZ2-CG 4.28Å; W9-K683 HydrophobicContact CZ3-CB 3.78Å; W9-K683 HydrophobicContact CZ3-CG 3.33Å; W9-K683 VanDerWaalsContact CZ3-N 3.33Å; I679-K683 PolarHBondContact O-N 3.33Å; A680-K683 VanDerWaalsContact O-CA 3.31Å; A680-K683 WeakPolarHBondContact O-CA 3.37Å; A680-K683 VanDerWaalsContact O-CB 3.23Å; A680-K683 WeakPolarHBondContact O-CB 3.36Å; A680-K683 PolarHBondContact O-N 3.33Å; L681-K683 PolarHBondContact O-N 3.05Å; K683-A687 PolarHBondContact O-N 3.49Å
684V85.8Confident84.9Confident19 Ų1935.2 Ų35.212%0.11518%0.178CC..Hα-helixtrans-70.5-35.6179.71730000112.7A680 L681 I682 N686 A687 I688 A743 T747A680-V684 PolarHBondContact O-N 3.26Å; L681-V684 PolarHBondContact O-N 3.26Å; I682-V684 PolarHBondContact O-N 2.76Å; V684-N686 PolarHBondContact O-N 2.92Å; V684-A687 PolarHBondContact O-N 2.7Å; V684-I688 HydrophobicContact CG1-CD1 3.66Å; V684-I688 HydrophobicContact CG1-CG1 4.15Å; V684-I688 WeakPolarHBondContact O-CB 3.48Å; V684-I688 WeakPolarHBondContact O-CG1 3.34Å; V684-I688 PolarHBondContact O-N 2.82Å; V684-A743 HydrophobicContact CG1-CB 3.98Å; V684-T747 HydrophobicContact CG2-CG2 3.99Å; V684-T747 WeakPolarHBondContact CG2-OG1 3.32Å
685E87.5Confident85.1Confident54 Ų5434.6 Ų34.625%0.25217%0.174SC..Hα-helixtrans-63.9-39.4177.1-75.2-69.417600113.5L681 I682 K689 R744L681-E685 WeakPolarHBondContact O-CB 3.45Å; L681-E685 VanDerWaalsContact O-CG 3.24Å; L681-E685 WeakPolarHBondContact O-CG 3.37Å; L681-E685 PolarHBondContact O-N 3.5Å; I682-E685 PolarHBondContact O-N 3.19Å; E685-K689 VanDerWaalsContact O-CG 3.3Å; E685-K689 WeakPolarHBondContact O-CG 3.43Å; E685-K689 PolarHBondContact O-N 3.31Å; E685-R744 IonicContact OE1-CZ 3.68Å; E685-R744 IonicContact OE1-NE 3.23Å; E685-R744 PolarHBondContact OE1-NE 3.3Å; E685-R744 IonicContact OE1-NH2 2.75Å; E685-R744 PolarHBondContact OE1-NH2 2.93Å; E685-R744 VanDerWaalsContact OE1-NH2 3.15Å; E685-R744 IonicContact OE2-CZ 2.79Å; E685-R744 IonicContact OE2-NE 2.79Å; E685-R744 IonicContact OE2-NH2 3.79Å; E685-R744 PolarHBondContact OE2-NH2 3.31Å
686N85.4Confident85.3Confident27 Ų2738.8 Ų38.814%0.14420%0.196CC..Hα-helixtrans-69.8-41.6176.7-74.9-19.2000111Q6 W9 I682 V684 I688 K689 E690Q6-N686 PolarHBondContact NE2-ND2 3.46Å; W9-N686 HydrophobicContact CH2-CB 3.71Å; W9-N686 HydrophobicContact CZ3-CB 4.04Å; W9-N686 VanDerWaalsContact CZ3-ND2 3.26Å; W9-N686 WeakPolarHBondContact CZ3-ND2 3.42Å; I682-N686 PolarHBondContact O-N 3.03Å; V684-N686 PolarHBondContact O-N 2.92Å; N686-I688 PolarHBondContact O-N 3.18Å; N686-K689 PolarHBondContact O-N 3.22Å; N686-E690 PolarHBondContact O-N 3.39Å; N686-E690 VanDerWaalsContact O-N 3.07Å
687A85.9Confident85.4Confident41 Ų4140.8 Ų40.834%0.33920%0.201SC..Hα-helixtrans-60.9-44173.800000111.8K683 V684 K689 E690 L691 L801K683-A687 PolarHBondContact O-N 3.49Å; V684-A687 PolarHBondContact O-N 2.7Å; A687-K689 VanDerWaalsContact C-N 3.32Å; A687-K689 PolarHBondContact O-N 3.39Å; A687-E690 PolarHBondContact O-N 2.82Å; A687-L691 VanDerWaalsContact O-CB 3.27Å; A687-L691 WeakPolarHBondContact O-CB 3.3Å; A687-L691 PolarHBondContact O-N 3.22Å; A687-L801 HydrophobicContact CB-CD2 3.64Å
688I91.1Very high85.4Confident4 Ų439.4 Ų39.42%0.02119%0.194CC..Hα-helixtrans-58.6-42.4174.1-74168.6000111.2V684 N686 S692 W739 K740 A743 R744 L801V684-I688 HydrophobicContact CG1-CD1 3.66Å; V684-I688 HydrophobicContact CG1-CG1 4.15Å; V684-I688 WeakPolarHBondContact O-CB 3.48Å; V684-I688 WeakPolarHBondContact O-CG1 3.34Å; V684-I688 PolarHBondContact O-N 2.82Å; N686-I688 PolarHBondContact O-N 3.18Å; I688-S692 WeakPolarHBondContact O-CB 3.39Å; I688-S692 PolarHBondContact O-N 3.38Å; I688-S692 PolarHBondContact O-OG 3.1Å; I688-W739 HydrophobicContact CB-CH2 4.34Å; I688-W739 HydrophobicContact CB-CZ3 4.18Å; I688-W739 HydrophobicContact CG1-CH2 4.47Å; I688-W739 HydrophobicContact CG1-CZ3 3.83Å; I688-W739 HydrophobicContact CG2-CH2 4Å; I688-W739 HydrophobicContact CG2-CZ3 4.17Å; I688-W739 WeakPolarHBondContact O-CH2 3.39Å; I688-K740 HydrophobicContact CD1-CB 4.36Å; I688-K740 HydrophobicContact CG2-CB 4.15Å; I688-K740 HydrophobicContact CG2-CD 3.94Å; I688-K740 HydrophobicContact CG2-CG 3.87Å; I688-A743 HydrophobicContact CD1-CB 4.23Å; I688-R744 HydrophobicContact CD1-CG 4.13Å; I688-L801 HydrophobicContact CG1-CD1 4.48Å
689K89.2Confident85.3Confident98 Ų9842.1 Ų42.143%0.42621%0.208SC..Hα-helixtrans-64.8-45.2179.9-79.3173.3176.5-172.80112.7E685 N686 A687 K693E685-K689 VanDerWaalsContact O-CG 3.3Å; E685-K689 WeakPolarHBondContact O-CG 3.43Å; E685-K689 PolarHBondContact O-N 3.31Å; N686-K689 PolarHBondContact O-N 3.22Å; A687-K689 VanDerWaalsContact C-N 3.32Å; A687-K689 PolarHBondContact O-N 3.39Å; K689-K693 PolarHBondContact O-N 3.22Å
690E84.8Confident85.3Confident101 Ų10148.9 Ų48.947%0.47224%0.237SC..Hα-helixtrans-67.7-43.3179.3-69.2-54114.100111N686 A687 K693N686-E690 PolarHBondContact O-N 3.39Å; N686-E690 VanDerWaalsContact O-N 3.07Å; A687-E690 PolarHBondContact O-N 2.82Å; E690-K693 PolarHBondContact O-N 3.24Å; E690-K693 IonicContact OE1-NZ 3.85Å; E690-K693 PolarHBondContact OE1-NZ 3.26Å; E690-K693 IonicContact OE2-NZ 2.58Å
691L89Confident85.1Confident10 Ų1054 Ų545%0.05226%0.256CS..Hα-helixtrans-69.8-33.4178.1-172.756.9000113.2A687 K693 E694 L695 W739 L794 K797 L798 L801A687-L691 VanDerWaalsContact O-CB 3.27Å; A687-L691 WeakPolarHBondContact O-CB 3.3Å; A687-L691 PolarHBondContact O-N 3.22Å; L691-K693 VanDerWaalsContact C-N 3.33Å; L691-K693 PolarHBondContact O-N 3.14Å; L691-E694 PolarHBondContact O-N 3.08Å; L691-L695 HydrophobicContact CD1-CD1 4.26Å; L691-L695 HydrophobicContact CD1-CG 4.21Å; L691-L695 HydrophobicContact CD2-CD1 4.3Å; L691-L695 HydrophobicContact CG-CD1 3.76Å; L691-L695 HydrophobicContact CG-CG 4.2Å; L691-L695 WeakPolarHBondContact O-CB 3.22Å; L691-L695 WeakPolarHBondContact O-CG 3.41Å; L691-L695 PolarHBondContact O-N 3.49Å; L691-W739 HydrophobicContact CB-CH2 3.93Å; L691-W739 HydrophobicContact CB-CZ3 4.27Å; L691-W739 HydrophobicContact CD2-CE3 4.4Å; L691-W739 HydrophobicContact CD2-CH2 4.11Å; L691-W739 HydrophobicContact CD2-CZ3 3.78Å; L691-W739 HydrophobicContact CG-CH2 3.99Å; L691-W739 HydrophobicContact CG-CZ3 4.19Å; L691-L794 HydrophobicContact CD1-CD2 4.25Å; L691-K797 HydrophobicContact CD1-CB 3.67Å; L691-K797 HydrophobicContact CD1-CD 4.16Å; L691-K797 HydrophobicContact CD2-CB 4.2Å; L691-L798 HydrophobicContact CD2-CB 4.46Å; L691-L798 HydrophobicContact CD2-CD2 3.65Å; L691-L798 HydrophobicContact CD2-CG 3.83Å; L691-L801 HydrophobicContact CD2-CD1 3.95Å
692S90.9Very high84.6Confident13 Ų1355.3 Ų55.39%0.09126%0.263CS..Hα-helixtrans-60.4-42177.2-66.30000111.7I688 E694 L695 D696 W739 K740I688-S692 WeakPolarHBondContact O-CB 3.39Å; I688-S692 PolarHBondContact O-N 3.38Å; I688-S692 PolarHBondContact O-OG 3.1Å; S692-E694 VanDerWaalsContact C-N 3.3Å; S692-E694 PolarHBondContact O-N 2.87Å; S692-L695 PolarHBondContact O-N 3.28Å; S692-D696 VanDerWaalsContact O-CB 3.24Å; S692-D696 WeakPolarHBondContact O-CB 3.42Å; S692-D696 PolarHBondContact O-N 3.03Å; S692-W739 WeakPolarHBondContact OG-CH2 3.48Å; S692-W739 WeakPolarHBondContact OG-CZ2 3.21Å; S692-K740 WeakPolarHBondContact OG-CE 3.33Å; S692-K740 PolarHBondContact OG-NZ 3.29Å
693K87.6Confident84.1Confident129 Ų12958.6 Ų58.656%0.56128%0.278SS*.Hα-helixtrans-59.7-42.7179.5-67.4169.2-173.9162.30111.7K689 E690 L691 Y697K689-K693 PolarHBondContact O-N 3.22Å; E690-K693 PolarHBondContact O-N 3.24Å; E690-K693 IonicContact OE1-NZ 3.85Å; E690-K693 PolarHBondContact OE1-NZ 3.26Å; E690-K693 IonicContact OE2-NZ 2.58Å; L691-K693 VanDerWaalsContact C-N 3.33Å; L691-K693 PolarHBondContact O-N 3.14Å; K693-Y697 VanDerWaalsContact O-CB 3.32Å; K693-Y697 WeakPolarHBondContact O-CB 3.38Å; K693-Y697 PolarHBondContact O-N 3.35Å
694E84.8Confident83.8Confident16 Ų1656.8 Ų56.88%0.07527%0.271CS..Hα-helixtrans-74.7-40.4-179.3-61.8-68.6174.500111.8L691 S692 Y697 F698 R711 L794L691-E694 PolarHBondContact O-N 3.08Å; S692-E694 VanDerWaalsContact C-N 3.3Å; S692-E694 PolarHBondContact O-N 2.87Å; E694-Y697 PolarHBondContact O-N 2.83Å; E694-F698 WeakPolarHBondContact O-CB 3.46Å; E694-F698 PolarHBondContact O-N 3.29Å; E694-R711 IonicContact OE1-CZ 3.93Å; E694-R711 IonicContact OE1-NH2 2.8Å; E694-R711 PolarHBondContact OE1-NH2 2.92Å; E694-L794 HydrophobicContact CB-CD2 3.84Å
695L88.4Confident83Confident0 Ų056.7 Ų56.70%027%0.271CS..Hα-helixtrans-66-46.2175.7-78170.9000112.2L691 S692 Y697 F698 I699 L736 W739 L790 L794 L798L691-L695 HydrophobicContact CD1-CD1 4.26Å; L691-L695 HydrophobicContact CD1-CG 4.21Å; L691-L695 HydrophobicContact CD2-CD1 4.3Å; L691-L695 HydrophobicContact CG-CD1 3.76Å; L691-L695 HydrophobicContact CG-CG 4.2Å; L691-L695 WeakPolarHBondContact O-CB 3.22Å; L691-L695 WeakPolarHBondContact O-CG 3.41Å; L691-L695 PolarHBondContact O-N 3.49Å; S692-L695 PolarHBondContact O-N 3.28Å; L695-Y697 VanDerWaalsContact C-N 3.28Å; L695-Y697 PolarHBondContact O-N 2.9Å; L695-F698 PolarHBondContact O-N 3.46Å; L695-I699 WeakPolarHBondContact O-CB 3.46Å; L695-I699 WeakPolarHBondContact O-CG1 3.35Å; L695-I699 PolarHBondContact O-N 2.71Å; L695-L736 HydrophobicContact CD2-CD1 4.32Å; L695-W739 HydrophobicContact CD1-CD2 4.26Å; L695-W739 HydrophobicContact CD1-CH2 4.02Å; L695-W739 HydrophobicContact CD1-CZ2 3.48Å; L695-W739 VanDerWaalsContact CD1-CZ2 3.48Å; L695-L790 HydrophobicContact CD2-CD1 3.89Å; L695-L790 HydrophobicContact CD2-CD2 3.72Å; L695-L790 HydrophobicContact CD2-CG 4.48Å; L695-L794 HydrophobicContact CD2-CB 4.19Å; L695-L794 HydrophobicContact CD2-CD1 4.1Å; L695-L798 HydrophobicContact CD1-CD1 4.16Å; L695-L798 HydrophobicContact CD1-CD2 3.92Å; L695-L798 HydrophobicContact CD1-CG 4.16Å; L695-L798 HydrophobicContact CD2-CD1 4.17Å
696D86.1Confident82Confident88 Ų8857.8 Ų57.847%0.47129%0.285SS..Hα-helixtrans-63.8-37.5179.3-66.4-24.4000110.5S692 K700S692-D696 VanDerWaalsContact O-CB 3.24Å; S692-D696 WeakPolarHBondContact O-CB 3.42Å; S692-D696 PolarHBondContact O-N 3.03Å; D696-K700 VanDerWaalsContact O-CB 3.24Å; D696-K700 WeakPolarHBondContact O-CB 3.46Å; D696-K700 PolarHBondContact O-N 3.32Å; D696-K700 VanDerWaalsContact O-N 3.11Å
697Y83.3Confident80.9Confident67 Ų6759 Ų5926%0.26330%0.295SS..Hα-helixtrans-63.8-47.4173.3-171-81.2000111.5K693 E694 L695 K700 Y701 H703K693-Y697 VanDerWaalsContact O-CB 3.32Å; K693-Y697 WeakPolarHBondContact O-CB 3.38Å; K693-Y697 PolarHBondContact O-N 3.35Å; E694-Y697 PolarHBondContact O-N 2.83Å; L695-Y697 VanDerWaalsContact C-N 3.28Å; L695-Y697 PolarHBondContact O-N 2.9Å; Y697-K700 PolarHBondContact O-N 2.92Å; Y697-Y701 HydrophobicContact CD1-CD2 4.08Å; Y697-Y701 AromaticContact CD2-CD2 3.79Å; Y697-Y701 HydrophobicContact CD2-CD2 3.79Å; Y697-Y701 AromaticContact CD2-CE2 3.89Å; Y697-Y701 HydrophobicContact CD2-CE2 3.89Å; Y697-Y701 HydrophobicContact CE1-CD2 4.01Å; Y697-Y701 AromaticContact CE2-CD2 3.75Å; Y697-Y701 HydrophobicContact CE2-CD2 3.75Å; Y697-Y701 AromaticContact CE2-CE2 3.84Å; Y697-Y701 HydrophobicContact CE2-CE2 3.84Å; Y697-Y701 AromaticContact CG-CD2 3.96Å; Y697-Y701 HydrophobicContact CG-CD2 3.96Å; Y697-Y701 HydrophobicContact CG-CE2 4.45Å; Y697-Y701 AromaticContact CZ-CD2 3.85Å; Y697-Y701 VanDerWaalsContact O-CD2 3.31Å; Y697-Y701 WeakPolarHBondContact O-CD2 3.17Å; Y697-Y701 PolarHBondContact O-N 3.35Å; Y697-H703 VanDerWaalsContact CD1-O 3.28Å; Y697-H703 WeakPolarHBondContact CD1-O 3.5Å; Y697-H703 AromaticContact CE1-CD2 3.55Å; Y697-H703 AromaticContact CE1-NE2 3.47Å; Y697-H703 WeakPolarHBondContact CE1-NE2 3.44Å; Y697-H703 WeakPolarHBondContact CE1-O 3.42Å; Y697-H703 AromaticContact CZ-NE2 3.52Å; Y697-H703 PolarHBondContact OH-NE2 2.86Å
698F82.3Confident79.8Confident7 Ų757.8 Ų57.83%0.03128%0.282CS..Hα-helixtrans-64.7-46.5178.7-178.4-93.7000112.3E694 L695 K700 Y701 N702 Y728 H789 L790 P791 L794E694-F698 WeakPolarHBondContact O-CB 3.46Å; E694-F698 PolarHBondContact O-N 3.29Å; L695-F698 PolarHBondContact O-N 3.46Å; F698-K700 PolarHBondContact O-N 2.89Å; F698-Y701 PolarHBondContact O-N 3.24Å; F698-N702 VanDerWaalsContact CZ-OD1 3.25Å; F698-N702 WeakPolarHBondContact CZ-OD1 3.24Å; F698-N702 WeakPolarHBondContact O-CA 3.46Å; F698-N702 PolarHBondContact O-N 2.93Å; F698-Y728 HydrophobicContact CE2-CE1 4.43Å; F698-Y728 HydrophobicContact CZ-CE1 4.12Å; F698-H789 WeakPolarHBondContact CE1-O 3.44Å; F698-L790 HydrophobicContact CD1-CD2 3.76Å; F698-L790 HydrophobicContact CE1-CD2 4.03Å; F698-P791 HydrophobicContact CD2-CG 3.73Å; F698-P791 HydrophobicContact CE1-CG 4.47Å; F698-P791 HydrophobicContact CE2-CG 3.4Å; F698-P791 VanDerWaalsContact CE2-CG 3.4Å; F698-P791 HydrophobicContact CG-CG 4.41Å; F698-P791 VanDerWaalsContact CZ-CD 3.5Å; F698-P791 HydrophobicContact CZ-CG 3.84Å; F698-L794 HydrophobicContact CB-CD1 3.72Å; F698-L794 HydrophobicContact CD1-CD1 4.48Å; F698-L794 HydrophobicContact CD2-CD1 4.48Å; F698-L794 HydrophobicContact CG-CD1 3.96Å
699I81.1Confident78.4Confident100 Ų10063.6 Ų63.651%0.51331%0.305SS..Hα-helixtrans-59.2-36.3178.3-69165.5000110.8L695 L736L695-I699 WeakPolarHBondContact O-CB 3.46Å; L695-I699 WeakPolarHBondContact O-CG1 3.35Å; L695-I699 PolarHBondContact O-N 2.71Å; I699-L736 HydrophobicContact CD1-CD1 4.41Å; I699-L736 HydrophobicContact CD1-CD2 4Å; I699-L736 HydrophobicContact CD1-CG 4.31Å; I699-L736 HydrophobicContact CG1-CD2 4.34Å
700K80.4Confident77.1Confident148 Ų14865.7 Ų65.764%0.64331%0.314SS*.Hα-helixtrans-78.2-40.4-178.9-174.1174.3179.8-171.30113.6D696 Y697 F698D696-K700 VanDerWaalsContact O-CB 3.24Å; D696-K700 WeakPolarHBondContact O-CB 3.46Å; D696-K700 PolarHBondContact O-N 3.32Å; D696-K700 VanDerWaalsContact O-N 3.11Å; Y697-K700 PolarHBondContact O-N 2.92Å; F698-K700 PolarHBondContact O-N 2.89Å
701Y77.4Confident76Confident111 Ų11165.5 Ų65.544%0.43531%0.309SS..Hα-helixtrans-116.3-4.5-168.9-59-75.7000115.1Y697 F698 H703Y697-Y701 HydrophobicContact CD1-CD2 4.08Å; Y697-Y701 AromaticContact CD2-CD2 3.79Å; Y697-Y701 HydrophobicContact CD2-CD2 3.79Å; Y697-Y701 AromaticContact CD2-CE2 3.89Å; Y697-Y701 HydrophobicContact CD2-CE2 3.89Å; Y697-Y701 HydrophobicContact CE1-CD2 4.01Å; Y697-Y701 AromaticContact CE2-CD2 3.75Å; Y697-Y701 HydrophobicContact CE2-CD2 3.75Å; Y697-Y701 AromaticContact CE2-CE2 3.84Å; Y697-Y701 HydrophobicContact CE2-CE2 3.84Å; Y697-Y701 AromaticContact CG-CD2 3.96Å; Y697-Y701 HydrophobicContact CG-CD2 3.96Å; Y697-Y701 HydrophobicContact CG-CE2 4.45Å; Y697-Y701 AromaticContact CZ-CD2 3.85Å; Y697-Y701 VanDerWaalsContact O-CD2 3.31Å; Y697-Y701 WeakPolarHBondContact O-CD2 3.17Å; Y697-Y701 PolarHBondContact O-N 3.35Å; F698-Y701 PolarHBondContact O-N 3.24Å; Y701-H703 WeakPolarHBondContact CB-CE1 3.46Å; Y701-H703 VanDerWaalsContact CB-ND1 3.28Å; Y701-H703 WeakPolarHBondContact CB-ND1 3.42Å; Y701-H703 AromaticContact CG-CE1 3.88Å; Y701-H703 PolarHBondContact O-N 3.4Å; Y701-H703 VanDerWaalsContact O-N 3.13Å; Y701-H703 PolarHBondContact O-ND1 3.27Å
702N72Confident74.4Confident51 Ų5167.6 Ų67.627%0.27332%0.32SS..SBendtrans52.429.3-177-154.426.5000114.4F698 H789 I824F698-N702 VanDerWaalsContact CZ-OD1 3.25Å; F698-N702 WeakPolarHBondContact CZ-OD1 3.24Å; F698-N702 WeakPolarHBondContact O-CA 3.46Å; F698-N702 PolarHBondContact O-N 2.93Å; N702-H789 PolarHBondContact OD1-NE2 3.3Å; N702-I824 VanDerWaalsContact ND2-CG2 3.27Å; N702-I824 WeakPolarHBondContact ND2-CG2 3.26Å
703H73Confident72.5Confident88 Ų8874.5 Ų74.541%0.40735%0.351SS..SBendtrans-145.8153.2173.963.6-90.4000110.2Y697 Y701Y697-H703 VanDerWaalsContact CD1-O 3.28Å; Y697-H703 WeakPolarHBondContact CD1-O 3.5Å; Y697-H703 AromaticContact CE1-CD2 3.55Å; Y697-H703 AromaticContact CE1-NE2 3.47Å; Y697-H703 WeakPolarHBondContact CE1-NE2 3.44Å; Y697-H703 WeakPolarHBondContact CE1-O 3.42Å; Y697-H703 AromaticContact CZ-NE2 3.52Å; Y697-H703 PolarHBondContact OH-NE2 2.86Å; Y701-H703 WeakPolarHBondContact CB-CE1 3.46Å; Y701-H703 VanDerWaalsContact CB-ND1 3.28Å; Y701-H703 WeakPolarHBondContact CB-ND1 3.42Å; Y701-H703 AromaticContact CG-CE1 3.88Å; Y701-H703 PolarHBondContact O-N 3.4Å; Y701-H703 VanDerWaalsContact O-N 3.13Å; Y701-H703 PolarHBondContact O-ND1 3.27Å
704L73.7Confident70.9Confident20 Ų2072.4 Ų72.411%0.10535%0.352CS..  trans-72.4143.1174-70162.7000110Y708 Y709 P791 I793 L794L704-Y708 HydrophobicContact CB-CD1 3.88Å; L704-Y708 HydrophobicContact CD1-CD1 4Å; L704-Y708 HydrophobicContact CD1-CE1 3.79Å; L704-Y708 HydrophobicContact CD2-CD1 4.25Å; L704-Y708 HydrophobicContact CD2-CE1 4.44Å; L704-Y708 HydrophobicContact CG-CD1 4.26Å; L704-Y708 HydrophobicContact CG-CE1 4.48Å; L704-Y709 HydrophobicContact CB-CE2 4.04Å; L704-P791 HydrophobicContact CD1-CB 4.27Å; L704-P791 HydrophobicContact CD1-CG 4.38Å; L704-P791 HydrophobicContact CD2-CG 4.26Å; L704-P791 HydrophobicContact CG-CG 4.25Å; L704-I793 HydrophobicContact CD1-CD1 4.35Å; L704-L794 HydrophobicContact CD2-CD1 3.94Å; L704-L794 HydrophobicContact CD2-CD2 4.3Å; L704-L794 HydrophobicContact CD2-CG 4Å
705S69.9Low69.2Low17 Ų1777 Ų7712%0.11937%0.374CS..  trans-60.8145.6-177.3-177.40000112.3S707 Y708 Y709S705-S707 WeakPolarHBondContact CB-OG 3.07Å; S705-S707 PolarHBondContact O-N 3.18Å; S705-S707 VanDerWaalsContact O-N 3.14Å; S705-S707 PolarHBondContact OG-N 3.47Å; S705-S707 PolarHBondContact OG-OG 3.22Å; S705-Y708 WeakPolarHBondContact O-CA 3.34Å; S705-Y708 VanDerWaalsContact O-CB 3.24Å; S705-Y708 WeakPolarHBondContact O-CB 3.43Å; S705-Y708 PolarHBondContact O-N 3.14Å; S705-Y709 WeakPolarHBondContact O-CD2 3.47Å; S705-Y709 PolarHBondContact O-N 3.07Å
706S65.8Low66.8Low77 Ų7786.4 Ų86.454%0.53842%0.415SS..Hα-helixtrans-54.7-31.5169.3-179.20000112.4Y708 Y709 K710S706-Y708 VanDerWaalsContact C-N 3.3Å; S706-Y708 PolarHBondContact O-N 2.89Å; S706-Y709 PolarHBondContact O-N 3.25Å; S706-K710 PolarHBondContact O-N 3.49Å
707S62.9Low64.6Low53 Ų5386.4 Ų86.437%0.37142%0.418SS..Hα-helixtrans-65.9-29.9174.768.20000113.4S705 R711S705-S707 WeakPolarHBondContact CB-OG 3.07Å; S705-S707 PolarHBondContact O-N 3.18Å; S705-S707 VanDerWaalsContact O-N 3.14Å; S705-S707 PolarHBondContact OG-N 3.47Å; S705-S707 PolarHBondContact OG-OG 3.22Å; S707-R711 PolarHBondContact O-N 3.33Å; S707-R711 VanDerWaalsContact O-N 3.14Å
708Y61.8Low62.8Low16 Ų1691.7 Ų91.76%0.06345%0.451CS..Hα-helixtrans-69.7-46.9175.5173.4-97.6000111.3L704 S705 S706 K710 R711 L712 I793L704-Y708 HydrophobicContact CB-CD1 3.88Å; L704-Y708 HydrophobicContact CD1-CD1 4Å; L704-Y708 HydrophobicContact CD1-CE1 3.79Å; L704-Y708 HydrophobicContact CD2-CD1 4.25Å; L704-Y708 HydrophobicContact CD2-CE1 4.44Å; L704-Y708 HydrophobicContact CG-CD1 4.26Å; L704-Y708 HydrophobicContact CG-CE1 4.48Å; S705-Y708 WeakPolarHBondContact O-CA 3.34Å; S705-Y708 VanDerWaalsContact O-CB 3.24Å; S705-Y708 WeakPolarHBondContact O-CB 3.43Å; S705-Y708 PolarHBondContact O-N 3.14Å; S706-Y708 VanDerWaalsContact C-N 3.3Å; S706-Y708 PolarHBondContact O-N 2.89Å; Y708-K710 VanDerWaalsContact C-N 3.26Å; Y708-K710 PolarHBondContact O-N 3.11Å; Y708-R711 WeakPolarHBondContact O-CB 3.18Å; Y708-R711 PolarHBondContact O-N 3.31Å; Y708-L712 HydrophobicContact CD1-CD1 3.95Å; Y708-L712 HydrophobicContact CE1-CD1 3.18Å; Y708-L712 HydrophobicContact CE1-CG 4.08Å; Y708-L712 HydrophobicContact CE2-CD1 4.42Å; Y708-L712 VanDerWaalsContact CZ-CD1 3.41Å; Y708-L712 PolarHBondContact O-N 2.91Å; Y708-L712 VanDerWaalsContact OH-CD1 3.29Å; Y708-L712 WeakPolarHBondContact OH-CD1 3.24Å; Y708-I793 HydrophobicContact CE1-CD1 4.1Å; Y708-I793 HydrophobicContact CE2-CG2 3.81Å; Y708-I793 WeakPolarHBondContact OH-CD1 3.18Å; Y708-I793 VanDerWaalsContact OH-CG1 3.25Å; Y708-I793 WeakPolarHBondContact OH-CG1 3.2Å; Y708-I793 WeakPolarHBondContact OH-CG2 3.34Å
709Y63Low61Low126 Ų12696.3 Ų96.349%0.49448%0.484SS..Hα-helixtrans-58.7-37.1175.2-71.6-75.7000112.5L704 S705 S706 Q713L704-Y709 HydrophobicContact CB-CE2 4.04Å; S705-Y709 WeakPolarHBondContact O-CD2 3.47Å; S705-Y709 PolarHBondContact O-N 3.07Å; S706-Y709 PolarHBondContact O-N 3.25Å; Y709-Q713 WeakPolarHBondContact O-CG 3.5Å; Y709-Q713 PolarHBondContact O-N 2.75Å
710K61.8Low59Low142 Ų14296 Ų9662%0.61748%0.483SS*.Hα-helixtrans-67-36173.9-70.9-178.5-178.5-177.10113.1S706 Y708 Q713 S714S706-K710 PolarHBondContact O-N 3.49Å; Y708-K710 VanDerWaalsContact C-N 3.26Å; Y708-K710 PolarHBondContact O-N 3.11Å; K710-Q713 PolarHBondContact O-N 3.21Å; K710-S714 PolarHBondContact O-N 2.87Å
711R61.5Low56.9Low96 Ų9694 Ų9436%0.36248%0.484SS..Hα-helixtrans-68.7-44.1176.6-110.5-171.8-62.8-98.30.8112.4E694 S707 Y708 Q713 S714 E715E694-R711 IonicContact OE1-CZ 3.93Å; E694-R711 IonicContact OE1-NH2 2.8Å; E694-R711 PolarHBondContact OE1-NH2 2.92Å; S707-R711 PolarHBondContact O-N 3.33Å; S707-R711 VanDerWaalsContact O-N 3.14Å; Y708-R711 WeakPolarHBondContact O-CB 3.18Å; Y708-R711 PolarHBondContact O-N 3.31Å; R711-Q713 PolarHBondContact O-N 3.19Å; R711-S714 WeakPolarHBondContact CA-OG 3.43Å; R711-S714 WeakPolarHBondContact O-CA 2.95Å; R711-S714 PolarHBondContact O-N 3.09Å; R711-S714 PolarHBondContact O-OG 2.82Å; R711-E715 PolarHBondContact O-N 2.6Å
712L54Low55.3Low54 Ų5494.7 Ų94.728%0.28351%0.505SS..Hα-helixtrans-54.6-38.6172.6-100.2165.6000112.3Y708 S714Y708-L712 HydrophobicContact CD1-CD1 3.95Å; Y708-L712 HydrophobicContact CE1-CD1 3.18Å; Y708-L712 HydrophobicContact CE1-CG 4.08Å; Y708-L712 HydrophobicContact CE2-CD1 4.42Å; Y708-L712 VanDerWaalsContact CZ-CD1 3.41Å; Y708-L712 PolarHBondContact O-N 2.91Å; Y708-L712 VanDerWaalsContact OH-CD1 3.29Å; Y708-L712 WeakPolarHBondContact OH-CD1 3.24Å; L712-S714 VanDerWaalsContact C-N 3.28Å; L712-S714 PolarHBondContact O-N 3.32Å
713Q52.4Low53.9Low159 Ų15998.5 Ų98.574%0.74353%0.526SS*.Hα-helixtrans-71.9-21176-70.9175.6-2.700113.2Y709 K710 R711Y709-Q713 WeakPolarHBondContact O-CG 3.5Å; Y709-Q713 PolarHBondContact O-N 2.75Å; K710-Q713 PolarHBondContact O-N 3.21Å; R711-Q713 PolarHBondContact O-N 3.19Å
714S52.6Low52.7Low85 Ų8598.3 Ų98.359%0.59453%0.532SS*.Hα-helixtrans-95.4-26.6-17968.60000114.6K710 R711 L712 K716K710-S714 PolarHBondContact O-N 2.87Å; R711-S714 WeakPolarHBondContact CA-OG 3.43Å; R711-S714 WeakPolarHBondContact O-CA 2.95Å; R711-S714 PolarHBondContact O-N 3.09Å; R711-S714 PolarHBondContact O-OG 2.82Å; L712-S714 VanDerWaalsContact C-N 3.28Å; L712-S714 PolarHBondContact O-N 3.32Å; S714-K716 PolarHBondContact O-N 2.69Å
715E49.1Very low51.6Low113 Ų113103.7 Ų103.753%0.52856%0.557SS.*  trans-81.979.1177.1-76.1175.2174.800110.1R711 T717R711-E715 PolarHBondContact O-N 2.6Å; E715-T717 PolarHBondContact O-N 2.98Å
716K39.8Very low51Low197 Ų197105 Ų10586%0.85757%0.565SS**  trans-72.981.7161.5-77.4-174.5176.9-177.70109S714S714-K716 PolarHBondContact O-N 2.69Å
717T39.4Very low51.3Low88 Ų88102.1 Ų102.154%0.5455%0.548SS..  trans-115.3125.7161.743.90000108E715 S719E715-T717 PolarHBondContact O-N 2.98Å; T717-S719 PolarHBondContact O-N 3.42Å
718D44.8Very low52.3Low177 Ų177101.5 Ų101.595%0.94754%0.538SS*.SBendtrans-64.938.1-165.7-68.1-47.7000116.4
719S45Very low53.5Low105 Ų105102.9 Ų102.973%0.73454%0.543SS*.  trans-152.341.7-179.9500000114T717T717-S719 PolarHBondContact O-N 3.42Å
720I38.4Very low54.7Low94 Ų9497.5 Ų97.548%0.48252%0.523SS..  trans-120.8122.2168.3-55.5178000109.3
721P37.7Very low56Low105 Ų10590.7 Ų90.768%0.68249%0.493SS*.  trans-62.2136.4179.6-18.529.9000112N723P721-N723 PolarHBondContact O-N 3.12Å
722S43.5Very low57.3Low125 Ų12586.1 Ų86.187%0.87448%0.476SS*.SBendtrans-50.1115.8167.8-39.70000109.7
723N43Very low58.7Low132 Ų13287.2 Ų87.271%0.70648%0.479SS*.SBendtrans71.6103.9-169-90.8-12.6000115.8P721 E725P721-N723 PolarHBondContact O-N 3.12Å; N723-E725 PolarHBondContact O-N 3.01Å; N723-E725 VanDerWaalsContact O-N 3.08Å
724P47.4Very low60.2Low83 Ų8386.6 Ų86.654%0.53947%0.469SS..  trans-71105.5165.429.2-29.5000108.7
725E50.4Low62Low134 Ų13482.8 Ų82.863%0.62644%0.443SS*.  trans-47.6133.1166.1-66.7177.4166.700109.8N723 G727 Y813N723-E725 PolarHBondContact O-N 3.01Å; N723-E725 VanDerWaalsContact O-N 3.08Å; E725-G727 PolarHBondContact O-N 3.1Å; E725-Y813 HydrophobicContact CB-CE2 4.15Å; E725-Y813 HydrophobicContact CG-CE2 4.41Å
726P57.7Low64Low43 Ų4378.4 Ų78.428%0.27942%0.423SS..  trans-76.669.6179.131.5-33.8000110.1Y816P726-Y816 VanDerWaalsContact CD-CE2 3.49Å; P726-Y816 WeakPolarHBondContact CD-OH 3.13Å; P726-Y816 HydrophobicContact CG-CE2 4.06Å
727G72.3Confident66.2Low18 Ų1878.6 Ų78.619%0.18642%0.418CS..EExtended strand (participates in β ladder)trans-81.5133.9167.400000110.7E725 A792E725-G727 PolarHBondContact O-N 3.1Å; G727-A792 WeakPolarHBondContact O-CB 3.44Å; G727-A792 PolarHBondContact O-N 3.16Å
728Y83Confident68.6Low39 Ų3978.1 Ų78.115%0.15341%0.41CS..EExtended strand (participates in β ladder)trans-109.9146.9170.4-68.6-94.5000109.8F698 H789 L790 P791 P811 I812 I814F698-Y728 HydrophobicContact CE2-CE1 4.43Å; F698-Y728 HydrophobicContact CZ-CE1 4.12Å; Y728-H789 HydrophobicContact CD1-CB 4.41Å; Y728-H789 AromaticContact CD1-CD2 3.55Å; Y728-H789 AromaticContact CE1-CD2 3.87Å; Y728-L790 CarbonylContact C-O 3.51Å; Y728-L790 VanDerWaalsContact CA-O 3.24Å; Y728-L790 WeakPolarHBondContact CA-O 3.49Å; Y728-P791 HydrophobicContact CD1-CG 4.38Å; Y728-P791 HydrophobicContact CE1-CB 4.49Å; Y728-P791 HydrophobicContact CE1-CG 4.01Å; Y728-P811 CarbonylContact O-C 3.43Å; Y728-P811 VanDerWaalsContact O-CA 3.25Å; Y728-P811 WeakPolarHBondContact O-CA 3.39Å; Y728-I812 PolarHBondContact N-O 2.88Å; Y728-I812 PolarHBondContact O-N 3.44Å; Y728-I814 HydrophobicContact CD2-CD1 3.72Å; Y728-I814 HydrophobicContact CD2-CG1 4.17Å; Y728-I814 HydrophobicContact CE2-CD1 3.55Å; Y728-I814 HydrophobicContact CE2-CG1 4.32Å
729Y87.9Confident70.9Confident45 Ų4570 Ų7018%0.17637%0.366CS..EExtended strand (participates in β ladder)trans-109.3137169.6-73.9-100.2000109.5H789 L790 A792 W795 H796 T809 P811Y729-H789 CarbonylContact O-C 3.54Å; Y729-H789 WeakPolarHBondContact O-CA 3.48Å; Y729-L790 PolarHBondContact N-O 3.49Å; Y729-L790 PolarHBondContact O-N 3.21Å; Y729-A792 HydrophobicContact CD2-CB 4.1Å; Y729-A792 HydrophobicContact CE2-CB 3.76Å; Y729-W795 AromaticContact CD1-CD1 3.72Å; Y729-W795 HydrophobicContact CD1-CD2 4.16Å; Y729-W795 AromaticContact CD1-CE2 3.95Å; Y729-W795 HydrophobicContact CD1-CG 4.07Å; Y729-W795 AromaticContact CD1-NE1 3.62Å; Y729-W795 HydrophobicContact CD2-CB 3.87Å; Y729-W795 AromaticContact CD2-CD1 3.58Å; Y729-W795 AromaticContact CD2-CG 3.7Å; Y729-W795 HydrophobicContact CD2-CG 3.7Å; Y729-W795 AromaticContact CE1-CD1 3.95Å; Y729-W795 AromaticContact CE1-NE1 3.83Å; Y729-W795 AromaticContact CE2-CD1 3.8Å; Y729-W795 HydrophobicContact CE2-CG 4.35Å; Y729-W795 HydrophobicContact CG-CB 4.04Å; Y729-W795 AromaticContact CG-CD1 3.52Å; Y729-W795 AromaticContact CG-CD2 3.86Å; Y729-W795 HydrophobicContact CG-CD2 3.86Å; Y729-W795 AromaticContact CG-CG 3.51Å; Y729-W795 HydrophobicContact CG-CG 3.51Å; Y729-W795 AromaticContact CG-NE1 3.88Å; Y729-W795 AromaticContact CZ-CD1 3.97Å; Y729-H796 AromaticContact CE2-NE2 3.95Å; Y729-T809 HydrophobicContact CD1-CG2 4.04Å; Y729-T809 HydrophobicContact CE1-CG2 3.89Å; Y729-P811 HydrophobicContact CD1-CB 4.28Å; Y729-P811 HydrophobicContact CE1-CB 4.03Å
730L86.3Confident73.3Confident13 Ų1368 Ų687%0.06834%0.344CS..EExtended strand (participates in β ladder)trans-75.2135170.7-62.4169.3000110.6N772 I775 I782 C788 H789 F810 I812L730-N772 PolarHBondContact O-ND2 2.98Å; L730-I775 HydrophobicContact CB-CD1 3.31Å; L730-I775 HydrophobicContact CD1-CD1 4.27Å; L730-I775 HydrophobicContact CG-CD1 4.42Å; L730-I782 HydrophobicContact CD1-CD1 4.14Å; L730-C788 CarbonylContact C-O 3.51Å; L730-C788 WeakPolarHBondContact CA-O 3.34Å; L730-H789 HydrophobicContact CD2-CB 4.36Å; L730-F810 HydrophobicContact CB-CB 4.04Å; L730-F810 HydrophobicContact CD1-CB 4.06Å; L730-F810 HydrophobicContact CG-CB 4.39Å; L730-F810 PolarHBondContact N-O 2.85Å; L730-I812 HydrophobicContact CD1-CD1 3.97Å; L730-I812 HydrophobicContact CD1-CG1 4.4Å; L730-I812 HydrophobicContact CD2-CD1 3.44Å; L730-I812 VanDerWaalsContact CD2-CD1 3.44Å; L730-I812 HydrophobicContact CD2-CG1 4.48Å; L730-I812 HydrophobicContact CG-CD1 3.58Å; L730-I812 HydrophobicContact CG-CG1 4.13Å
731I89.9Confident75.8Confident0 Ų066.8 Ų66.80%034%0.341CS..EExtended strand (participates in β ladder)trans-126138.7173.3-170.4172.6000110.3L736 F771 N772 C788 L790 W795 L798I731-L736 HydrophobicContact CD1-CB 3.97Å; I731-L736 HydrophobicContact CD1-CD1 4.18Å; I731-L736 HydrophobicContact CG1-CB 4.29Å; I731-L736 HydrophobicContact CG2-CB 4.19Å; I731-L736 HydrophobicContact CG2-CD2 4.16Å; I731-F771 HydrophobicContact CD1-CE1 4.45Å; I731-F771 HydrophobicContact CD1-CE2 4.09Å; I731-F771 HydrophobicContact CD1-CZ 3.61Å; I731-N772 WeakPolarHBondContact CA-OD1 3.23Å; I731-N772 WeakPolarHBondContact CG1-OD1 3.37Å; I731-C788 WeakPolarHBondContact CG2-SG 3.34Å; I731-C788 PolarHBondContact N-O 3.09Å; I731-C788 PolarHBondContact O-N 2.85Å; I731-C788 PolarHBondContact O-SG 3.45Å; I731-L790 HydrophobicContact CD1-CD1 4.13Å; I731-L790 HydrophobicContact CG2-CD1 3.93Å; I731-L790 HydrophobicContact CG2-CG 3.93Å; I731-W795 HydrophobicContact CB-CZ3 4.21Å; I731-W795 HydrophobicContact CD1-CZ3 4.32Å; I731-W795 HydrophobicContact CG1-CZ3 4.25Å; I731-L798 HydrophobicContact CD1-CD1 4.06Å
732G88.8Confident78.3Confident0 Ų062.9 Ų62.90%031%0.314CS..EExtended strand (participates in β ladder)trans-66.5138.1171.800000111.7R734 S735 L736 N772 D774G732-R734 PolarHBondContact O-N 2.96Å; G732-S735 PolarHBondContact O-N 2.87Å; G732-L736 PolarHBondContact O-N 3.29Å; G732-N772 PolarHBondContact N-OD1 3.43Å; G732-D774 WeakPolarHBondContact CA-OD2 3.44Å
733K84.4Confident80.5Confident77 Ų7757 Ų5734%0.33527%0.273SS..Hα-helixtrans-59.8-31.8-176.9-76178.7-172.7170.60112.4R737 D774 E785 N786 T787K733-R737 WeakPolarHBondContact O-CB 3.3Å; K733-R737 WeakPolarHBondContact O-CD 3.43Å; K733-R737 WeakPolarHBondContact O-CG 3.3Å; K733-R737 PolarHBondContact O-N 2.77Å; K733-D774 PolarHBondContact N-OD2 3.3Å; K733-E785 WeakPolarHBondContact CE-O 3.36Å; K733-E785 PolarHBondContact NZ-O 3.33Å; K733-N786 WeakPolarHBondContact CB-O 3.2Å; K733-N786 WeakPolarHBondContact CG-O 3.33Å; K733-N786 PolarHBondContact N-O 2.93Å; K733-T787 VanDerWaalsContact CE-O 3.26Å; K733-T787 WeakPolarHBondContact CE-O 3.43Å
734R83.2Confident82.7Confident146 Ų14653.3 Ų53.355%0.55125%0.249SC*.Hα-helixtrans-74.2-42.4178.4-175.2179.8-179.2155-1.2110.2G732 L736 R737 Q738 D774G732-R734 PolarHBondContact O-N 2.96Å; R734-L736 VanDerWaalsContact C-N 3.35Å; R734-L736 PolarHBondContact O-N 3.29Å; R734-R737 PolarHBondContact O-N 3.42Å; R734-R737 VanDerWaalsContact O-N 3.11Å; R734-Q738 HydrophobicContact CG-CG 4.4Å; R734-Q738 WeakPolarHBondContact O-CB 3.16Å; R734-Q738 WeakPolarHBondContact O-CG 3.45Å; R734-Q738 PolarHBondContact O-N 3.23Å; R734-D774 WeakPolarHBondContact CA-OD2 3.47Å; R734-D774 HydrophobicContact CB-CB 4.24Å; R734-D774 WeakPolarHBondContact CB-OD2 3.29Å; R734-D774 PolarHBondContact N-OD2 2.85Å
735S91Very high84.6Confident5 Ų554.5 Ų54.54%0.03525%0.247CC..Hα-helixtrans-59.7-44.5172.6-73.30000112G732 R737 Q738 W739 N772 D774G732-S735 PolarHBondContact O-N 2.87Å; S735-R737 VanDerWaalsContact C-N 3.27Å; S735-R737 PolarHBondContact O-N 2.75Å; S735-Q738 PolarHBondContact O-N 3.48Å; S735-W739 WeakPolarHBondContact O-CA 3.24Å; S735-W739 WeakPolarHBondContact O-CB 3.5Å; S735-W739 PolarHBondContact O-N 3.38Å; S735-N772 VanDerWaalsContact OG-CA 3.31Å; S735-N772 WeakPolarHBondContact OG-CA 3.25Å; S735-N772 PolarHBondContact OG-N 3Å; S735-D774 WeakPolarHBondContact CB-OD1 3.43Å; S735-D774 PolarHBondContact N-OD2 3.25Å; S735-D774 PolarHBondContact OG-OD1 2.95Å
736L90.3Very high86.4Confident21 Ų2148.6 Ų48.611%0.1122%0.22CC..Hα-helixtrans-67.7-23175.3-174.458.9000113.6L695 I699 I731 G732 R734 C788 L790L695-L736 HydrophobicContact CD2-CD1 4.32Å; I699-L736 HydrophobicContact CD1-CD1 4.41Å; I699-L736 HydrophobicContact CD1-CD2 4Å; I699-L736 HydrophobicContact CD1-CG 4.31Å; I699-L736 HydrophobicContact CG1-CD2 4.34Å; I731-L736 HydrophobicContact CD1-CB 3.97Å; I731-L736 HydrophobicContact CD1-CD1 4.18Å; I731-L736 HydrophobicContact CG1-CB 4.29Å; I731-L736 HydrophobicContact CG2-CB 4.19Å; I731-L736 HydrophobicContact CG2-CD2 4.16Å; G732-L736 PolarHBondContact O-N 3.29Å; R734-L736 VanDerWaalsContact C-N 3.35Å; R734-L736 PolarHBondContact O-N 3.29Å; L736-C788 WeakPolarHBondContact CD2-SG 3.38Å; L736-L790 HydrophobicContact CD1-CD1 4.15Å
737R86.9Confident87.8Confident200 Ų20046.9 Ų46.976%0.75521%0.208SC*.Hα-helixtrans-80.6-35.2171.6-73.9168.3-174.3179.52.3112.1K733 R734 S735K733-R737 WeakPolarHBondContact O-CB 3.3Å; K733-R737 WeakPolarHBondContact O-CD 3.43Å; K733-R737 WeakPolarHBondContact O-CG 3.3Å; K733-R737 PolarHBondContact O-N 2.77Å; R734-R737 PolarHBondContact O-N 3.42Å; R734-R737 VanDerWaalsContact O-N 3.11Å; S735-R737 VanDerWaalsContact C-N 3.27Å; S735-R737 PolarHBondContact O-N 2.75Å
738Q89.9Confident88.4Confident78 Ų7850.7 Ų50.736%0.36422%0.217SC..Hα-helixtrans-102.1-2.9-170.4-64.9-174.3-23.700114.5R734 S735 K740 T741 L742R734-Q738 HydrophobicContact CG-CG 4.4Å; R734-Q738 WeakPolarHBondContact O-CB 3.16Å; R734-Q738 WeakPolarHBondContact O-CG 3.45Å; R734-Q738 PolarHBondContact O-N 3.23Å; S735-Q738 PolarHBondContact O-N 3.48Å; Q738-K740 PolarHBondContact O-N 3.49Å; Q738-K740 VanDerWaalsContact O-N 3.07Å; Q738-T741 WeakPolarHBondContact O-CA 3.21Å; Q738-T741 WeakPolarHBondContact O-CB 3.46Å; Q738-T741 PolarHBondContact O-N 3.45Å; Q738-L742 HydrophobicContact CB-CD1 4.14Å; Q738-L742 HydrophobicContact CB-CG 4.32Å; Q738-L742 PolarHBondContact O-N 2.73Å
739W93Very high88.3Confident8 Ų850.8 Ų50.83%0.0323%0.226CC..Hα-helixtrans-49.9-40-17572-81.7000113.9I688 L691 S692 L695 S735 T741 L742 A743 F771 L798 L801I688-W739 HydrophobicContact CB-CH2 4.34Å; I688-W739 HydrophobicContact CB-CZ3 4.18Å; I688-W739 HydrophobicContact CG1-CH2 4.47Å; I688-W739 HydrophobicContact CG1-CZ3 3.83Å; I688-W739 HydrophobicContact CG2-CH2 4Å; I688-W739 HydrophobicContact CG2-CZ3 4.17Å; I688-W739 WeakPolarHBondContact O-CH2 3.39Å; L691-W739 HydrophobicContact CB-CH2 3.93Å; L691-W739 HydrophobicContact CB-CZ3 4.27Å; L691-W739 HydrophobicContact CD2-CE3 4.4Å; L691-W739 HydrophobicContact CD2-CH2 4.11Å; L691-W739 HydrophobicContact CD2-CZ3 3.78Å; L691-W739 HydrophobicContact CG-CH2 3.99Å; L691-W739 HydrophobicContact CG-CZ3 4.19Å; S692-W739 WeakPolarHBondContact OG-CH2 3.48Å; S692-W739 WeakPolarHBondContact OG-CZ2 3.21Å; L695-W739 HydrophobicContact CD1-CD2 4.26Å; L695-W739 HydrophobicContact CD1-CH2 4.02Å; L695-W739 HydrophobicContact CD1-CZ2 3.48Å; L695-W739 VanDerWaalsContact CD1-CZ2 3.48Å; S735-W739 WeakPolarHBondContact O-CA 3.24Å; S735-W739 WeakPolarHBondContact O-CB 3.5Å; S735-W739 PolarHBondContact O-N 3.38Å; W739-T741 VanDerWaalsContact C-N 3.32Å; W739-T741 PolarHBondContact O-N 3.26Å; W739-L742 PolarHBondContact O-N 2.87Å; W739-A743 VanDerWaalsContact O-CB 3.31Å; W739-A743 WeakPolarHBondContact O-CB 3.37Å; W739-A743 PolarHBondContact O-N 3.43Å; W739-F771 HydrophobicContact CB-CD2 4.38Å; W739-F771 HydrophobicContact CB-CE2 3.61Å; W739-F771 HydrophobicContact CB-CZ 4.35Å; W739-L798 HydrophobicContact CB-CD2 3.93Å; W739-L798 HydrophobicContact CD2-CD2 3.55Å; W739-L798 HydrophobicContact CE3-CD2 3.42Å; W739-L798 VanDerWaalsContact CE3-CD2 3.42Å; W739-L798 HydrophobicContact CG-CD2 3.82Å; W739-L798 HydrophobicContact CZ3-CD2 4.08Å; W739-L801 HydrophobicContact CE3-CD1 3.69Å; W739-L801 HydrophobicContact CZ3-CD1 3.62Å
740K93.6Very high87.9Confident61 Ų6151.2 Ų51.227%0.26523%0.229SC..Hα-helixtrans-63.5-38.2177.8-51-176-169.5-174.80111.7I688 S692 Q738 R744I688-K740 HydrophobicContact CD1-CB 4.36Å; I688-K740 HydrophobicContact CG2-CB 4.15Å; I688-K740 HydrophobicContact CG2-CD 3.94Å; I688-K740 HydrophobicContact CG2-CG 3.87Å; S692-K740 WeakPolarHBondContact OG-CE 3.33Å; S692-K740 PolarHBondContact OG-NZ 3.29Å; Q738-K740 PolarHBondContact O-N 3.49Å; Q738-K740 VanDerWaalsContact O-N 3.07Å; K740-R744 VanDerWaalsContact O-CG 3.31Å; K740-R744 WeakPolarHBondContact O-CG 3.22Å; K740-R744 PolarHBondContact O-N 3.39Å; K740-R744 PolarHBondContact O-NH1 3.36Å
741T91Very high87.5Confident69 Ų6953.8 Ų53.842%0.42324%0.238SC..Hα-helixtrans-74.8-45178.8-56.30000110.4Q738 W739 A743 R744 H745Q738-T741 WeakPolarHBondContact O-CA 3.21Å; Q738-T741 WeakPolarHBondContact O-CB 3.46Å; Q738-T741 PolarHBondContact O-N 3.45Å; W739-T741 VanDerWaalsContact C-N 3.32Å; W739-T741 PolarHBondContact O-N 3.26Å; T741-A743 PolarHBondContact O-N 3.08Å; T741-R744 PolarHBondContact O-N 3.04Å; T741-H745 PolarHBondContact O-CD2 2.81Å; T741-H745 PolarHBondContact O-N 3.1Å
742L90.2Very high86.5Confident24 Ų2457.1 Ų57.113%0.12626%0.261CS..Hα-helixtrans-60.1-44.1177.8-69.7169.3000111.6Q738 W739 R744 H745 F746 F771 F802Q738-L742 HydrophobicContact CB-CD1 4.14Å; Q738-L742 HydrophobicContact CB-CG 4.32Å; Q738-L742 PolarHBondContact O-N 2.73Å; W739-L742 PolarHBondContact O-N 2.87Å; L742-R744 PolarHBondContact O-N 3.13Å; L742-H745 PolarHBondContact O-N 2.94Å; L742-F746 VanDerWaalsContact O-CB 3.32Å; L742-F746 WeakPolarHBondContact O-CB 3.36Å; L742-F746 PolarHBondContact O-N 2.91Å; L742-F771 HydrophobicContact CD1-CB 4.17Å; L742-F771 HydrophobicContact CD1-CD2 3.8Å; L742-F771 HydrophobicContact CD1-CG 4.49Å; L742-F802 HydrophobicContact CB-CE1 4.06Å; L742-F802 HydrophobicContact CB-CZ 3.96Å
743A90.4Very high85.2Confident0 Ų062.4 Ų62.40%029%0.29CS..Hα-helixtrans-61.1-41.4176.600000112.5V684 I688 W739 T741 T747 L801 F802V684-A743 HydrophobicContact CG1-CB 3.98Å; I688-A743 HydrophobicContact CD1-CB 4.23Å; W739-A743 VanDerWaalsContact O-CB 3.31Å; W739-A743 WeakPolarHBondContact O-CB 3.37Å; W739-A743 PolarHBondContact O-N 3.43Å; T741-A743 PolarHBondContact O-N 3.08Å; A743-T747 WeakPolarHBondContact O-CB 3.42Å; A743-T747 PolarHBondContact O-N 3.35Å; A743-T747 PolarHBondContact O-OG1 3.2Å; A743-L801 HydrophobicContact CB-CB 4.07Å; A743-L801 HydrophobicContact CB-CD1 4.1Å; A743-F802 HydrophobicContact CB-CE1 4.37Å; A743-F802 HydrophobicContact CB-CZ 4.08Å
744R90.3Very high83.9Confident56 Ų5662.4 Ų62.421%0.21129%0.288CS..Hα-helixtrans-65.5-44.4175.5-70.8175.1-175.4103.73112.2E685 I688 K740 T741 L742 T747 R748E685-R744 IonicContact OE1-CZ 3.68Å; E685-R744 IonicContact OE1-NE 3.23Å; E685-R744 PolarHBondContact OE1-NE 3.3Å; E685-R744 IonicContact OE1-NH2 2.75Å; E685-R744 PolarHBondContact OE1-NH2 2.93Å; E685-R744 VanDerWaalsContact OE1-NH2 3.15Å; E685-R744 IonicContact OE2-CZ 2.79Å; E685-R744 IonicContact OE2-NE 2.79Å; E685-R744 IonicContact OE2-NH2 3.79Å; E685-R744 PolarHBondContact OE2-NH2 3.31Å; I688-R744 HydrophobicContact CD1-CG 4.13Å; K740-R744 VanDerWaalsContact O-CG 3.31Å; K740-R744 WeakPolarHBondContact O-CG 3.22Å; K740-R744 PolarHBondContact O-N 3.39Å; K740-R744 PolarHBondContact O-NH1 3.36Å; T741-R744 PolarHBondContact O-N 3.04Å; L742-R744 PolarHBondContact O-N 3.13Å; R744-T747 PolarHBondContact O-N 3.36Å; R744-R748 WeakPolarHBondContact O-CG 3.47Å; R744-R748 PolarHBondContact O-N 3.16Å
745H86.4Confident82.3Confident108 Ų10861.8 Ų61.850%0.530%0.296SS..Hα-helixtrans-63.8-46.4179.5-78.1-158.2000110.8T741 L742 T747 R748 A749T741-H745 PolarHBondContact O-CD2 2.81Å; T741-H745 PolarHBondContact O-N 3.1Å; L742-H745 PolarHBondContact O-N 2.94Å; H745-T747 VanDerWaalsContact C-N 3.33Å; H745-T747 PolarHBondContact O-N 3Å; H745-R748 PolarHBondContact O-N 2.71Å; H745-R748 VanDerWaalsContact O-N 3.15Å; H745-A749 PolarHBondContact O-N 3.39Å
746F88.1Confident80.2Confident10 Ų1067.1 Ų67.14%0.04432%0.324CS..Hα-helixtrans-56-47.5174.7179.5-100.7000111.6L742 R748 A749 F750 T767 F802 P803 I805L742-F746 VanDerWaalsContact O-CB 3.32Å; L742-F746 WeakPolarHBondContact O-CB 3.36Å; L742-F746 PolarHBondContact O-N 2.91Å; F746-R748 VanDerWaalsContact C-N 3.34Å; F746-R748 PolarHBondContact O-N 3.47Å; F746-A749 PolarHBondContact O-N 3.39Å; F746-F750 HydrophobicContact CE1-CB 4.47Å; F746-F750 HydrophobicContact CE1-CD2 4.47Å; F746-F750 HydrophobicContact CZ-CD2 4.06Å; F746-F750 VanDerWaalsContact O-CB 3.26Å; F746-F750 WeakPolarHBondContact O-CB 3.38Å; F746-F750 PolarHBondContact O-N 3.27Å; F746-T767 HydrophobicContact CD2-CG2 3.63Å; F746-T767 HydrophobicContact CE2-CG2 3.47Å; F746-T767 VanDerWaalsContact CE2-CG2 3.47Å; F746-T767 HydrophobicContact CZ-CG2 4.41Å; F746-F802 HydrophobicContact CB-CD1 3.84Å; F746-F802 HydrophobicContact CB-CE1 4.02Å; F746-F802 HydrophobicContact CD1-CD1 4.06Å; F746-F802 HydrophobicContact CD2-CD1 4.37Å; F746-F802 AromaticContact CG-CD1 3.79Å; F746-F802 HydrophobicContact CG-CD1 3.79Å; F746-F802 HydrophobicContact CG-CE1 4.47Å; F746-P803 HydrophobicContact CE1-CG 4.09Å; F746-P803 WeakPolarHBondContact CZ-O 3.31Å; F746-I805 HydrophobicContact CD2-CD1 3.7Å; F746-I805 HydrophobicContact CE2-CD1 3.17Å; F746-I805 HydrophobicContact CE2-CG1 3.97Å; F746-I805 HydrophobicContact CZ-CD1 3.91Å; F746-I805 HydrophobicContact CZ-CG1 4.29Å
747T86.4Confident78.2Confident7 Ų772 Ų724%0.04335%0.35CS..Hα-helixtrans-60.3-42.1177-52.80000112.2A680 L681 V684 A743 R744 H745 Y751A680-T747 HydrophobicContact CB-CG2 4.06Å; L681-T747 HydrophobicContact CD2-CG2 3.93Å; L681-T747 HydrophobicContact CG-CG2 4.41Å; V684-T747 HydrophobicContact CG2-CG2 3.99Å; V684-T747 WeakPolarHBondContact CG2-OG1 3.32Å; A743-T747 WeakPolarHBondContact O-CB 3.42Å; A743-T747 PolarHBondContact O-N 3.35Å; A743-T747 PolarHBondContact O-OG1 3.2Å; R744-T747 PolarHBondContact O-N 3.36Å; H745-T747 VanDerWaalsContact C-N 3.33Å; H745-T747 PolarHBondContact O-N 3Å; T747-Y751 HydrophobicContact CG2-CD2 3.99Å; T747-Y751 HydrophobicContact CG2-CE2 4.16Å; T747-Y751 VanDerWaalsContact O-CD2 3.26Å; T747-Y751 WeakPolarHBondContact O-CD2 3.48Å; T747-Y751 PolarHBondContact O-N 3.39Å
748R85.6Confident76.3Confident97 Ų9767.3 Ų67.337%0.36635%0.348SS..Hα-helixtrans-64.5-46.5178.1-71.1-171.8-172.7108.70111.6L677 L681 R744 H745 F746 Y751 S752L677-R748 HydrophobicContact CD1-CG 4.4Å; L681-R748 HydrophobicContact CD1-CG 4.31Å; L681-R748 HydrophobicContact CD2-CG 3.92Å; R744-R748 WeakPolarHBondContact O-CG 3.47Å; R744-R748 PolarHBondContact O-N 3.16Å; H745-R748 PolarHBondContact O-N 2.71Å; H745-R748 VanDerWaalsContact O-N 3.15Å; F746-R748 VanDerWaalsContact C-N 3.34Å; F746-R748 PolarHBondContact O-N 3.47Å; R748-Y751 PolarHBondContact O-N 2.77Å; R748-S752 WeakPolarHBondContact O-CB 3.38Å; R748-S752 PolarHBondContact O-N 3.13Å; R748-S752 PolarHBondContact O-OG 3.36Å
749A81.5Confident73.9Confident41 Ų4171.3 Ų71.334%0.33936%0.364SS..Hα-helixtrans-61.7-49.2178.800000111H745 F746 Y751 S752 D753 T767H745-A749 PolarHBondContact O-N 3.39Å; F746-A749 PolarHBondContact O-N 3.39Å; A749-Y751 PolarHBondContact O-N 3.07Å; A749-Y751 VanDerWaalsContact O-N 3.16Å; A749-S752 PolarHBondContact O-N 3.49Å; A749-D753 PolarHBondContact O-N 3.13Å; A749-T767 HydrophobicContact CB-CG2 3.59Å
750F79.2Confident71.7Confident55 Ų5574.8 Ų74.824%0.24139%0.389CS..Hα-helixtrans-56.9-34.4179.7-172.7-92000113.7F746 P761 T767F746-F750 HydrophobicContact CE1-CB 4.47Å; F746-F750 HydrophobicContact CE1-CD2 4.47Å; F746-F750 HydrophobicContact CZ-CD2 4.06Å; F746-F750 VanDerWaalsContact O-CB 3.26Å; F746-F750 WeakPolarHBondContact O-CB 3.38Å; F746-F750 PolarHBondContact O-N 3.27Å; F750-P761 HydrophobicContact CE1-CB 4.41Å; F750-P761 HydrophobicContact CZ-CB 4.45Å; F750-T767 HydrophobicContact CB-CG2 4.37Å
751Y76.6Confident69.4Low66 Ų6674 Ų7426%0.25939%0.39SS..Hα-helixtrans-96.7-4.9178.4-77.3-93.9000114.1T676 L677 A680 T747 R748 A749T676-Y751 HydrophobicContact CG2-CD1 4Å; T676-Y751 HydrophobicContact CG2-CE1 3.98Å; L677-Y751 HydrophobicContact CD1-CG 4.43Å; A680-Y751 HydrophobicContact CB-CD1 4.03Å; A680-Y751 HydrophobicContact CB-CD2 3.7Å; A680-Y751 HydrophobicContact CB-CE1 3.66Å; A680-Y751 HydrophobicContact CB-CE2 3.32Å; A680-Y751 HydrophobicContact CB-CG 4.04Å; T747-Y751 HydrophobicContact CG2-CD2 3.99Å; T747-Y751 HydrophobicContact CG2-CE2 4.16Å; T747-Y751 VanDerWaalsContact O-CD2 3.26Å; T747-Y751 WeakPolarHBondContact O-CD2 3.48Å; T747-Y751 PolarHBondContact O-N 3.39Å; R748-Y751 PolarHBondContact O-N 2.77Å; A749-Y751 PolarHBondContact O-N 3.07Å; A749-Y751 VanDerWaalsContact O-N 3.16Å
752S70.4Confident67.2Low70 Ų7075 Ų7549%0.4941%0.406SS..Hα-helixtrans-82.8-33.6174.5-62.10000111.5R748 A749 Y754R748-S752 WeakPolarHBondContact O-CB 3.38Å; R748-S752 PolarHBondContact O-N 3.13Å; R748-S752 PolarHBondContact O-OG 3.36Å; A749-S752 PolarHBondContact O-N 3.49Å; S752-Y754 PolarHBondContact O-N 3.17Å
753D60.5Low65Low111 Ų11179.6 Ų79.659%0.59444%0.435SS*.SBendtrans-77.910.1178-63.9-19.8000113.7A749 D755A749-D753 PolarHBondContact O-N 3.13Å; D753-D755 PolarHBondContact O-N 3.02Å
754Y57.5Low62.9Low78 Ų7882.5 Ų82.531%0.30647%0.465SS..  trans-85103.9-177.6-168.1-104.5000111.6K673 S752 D756 K759K673-Y754 WeakPolarHBondContact CE-O 2.87Å; K673-Y754 PolarHBondContact NZ-O 3.31Å; S752-Y754 PolarHBondContact O-N 3.17Å; Y754-D756 PolarHBondContact OH-O 3.49Å; Y754-K759 PolarHBondContact OH-O 2.91Å; Y754-K759 VanDerWaalsContact OH-O 3.05Å
755D49.8Very low60.9Low132 Ų13287.2 Ų87.271%0.70649%0.489SS*.  trans-105.4121.6166.3-80.8-32.2000111.8K673 D753K673-D755 IonicContact NZ-OD1 3.8Å; K673-D755 PolarHBondContact NZ-OD1 3.33Å; D753-D755 PolarHBondContact O-N 3.02Å
756D45.8Very low59.4Low117 Ų11790 Ų9063%0.62650%0.502SS*.  trans90.6145.2155.9-141.910.7000121.5Y754 S758Y754-D756 PolarHBondContact OH-O 3.49Å; D756-S758 VanDerWaalsContact C-N 3.31Å; D756-S758 PolarHBondContact O-N 3.4Å; D756-S758 VanDerWaalsContact O-N 3.13Å
757D50Low58.4Low124 Ų12490.6 Ų90.666%0.66351%0.507SS*.THydrogen-bonded Turntrans-78.117.8-161.7-94.5-25.4000115.6R672R672-D757 IonicContact NH1-OD2 2.74Å
758S46.9Very low57.9Low101 Ų10198.3 Ų98.371%0.70654%0.542SS*.THydrogen-bonded Turntrans-141.210.8-174.276.50000118.5D756D756-S758 VanDerWaalsContact C-N 3.31Å; D756-S758 PolarHBondContact O-N 3.4Å; D756-S758 VanDerWaalsContact O-N 3.13Å
759K39.3Very low57.8Low163 Ų16394.7 Ų94.771%0.70953%0.531SS*.  trans-136.2137.3174.1-68.5-176.7-177.6173.50112.9Y754Y754-K759 PolarHBondContact OH-O 2.91Å; Y754-K759 VanDerWaalsContact OH-O 3.05Å
760S45.7Very low57.9Low80 Ų8097.4 Ų97.456%0.55954%0.544SS*.  trans-67.8146.3176.4570000110.9A762S760-A762 PolarHBondContact O-N 3.25Å
761P46.5Very low58.5Low44 Ų4494.8 Ų94.829%0.28653%0.532SS..THydrogen-bonded Turntrans-72.924.7-172.732.2-35000114.7P16 F750P16-P761 HydrophobicContact CB-CG 3.64Å; P16-P761 HydrophobicContact CG-CG 3.39Å; F750-P761 HydrophobicContact CE1-CB 4.41Å; F750-P761 HydrophobicContact CZ-CB 4.45Å
762A44.9Very low59.2Low90 Ų9091.7 Ų91.774%0.74452%0.52SS*.THydrogen-bonded Turntrans-84.9-4.1-17900000114.1S760S760-A762 PolarHBondContact O-N 3.25Å
763T43.4Very low59.9Low121 Ų12193 Ų9374%0.74252%0.518SS*.SBendtrans-114.380.3177.640.90000109.7
764G46.7Very low61.1Low62 Ų6289.7 Ų89.764%0.63950%0.5SS*.  trans-77.6125.4-171.100000114.2
765H48Very low62.4Low154 Ų15486 Ų8671%0.71349%0.486SS*.  trans-78.5157.5155.1-76.6-75.2000110.3T767H765-T767 PolarHBondContact O-N 3.47Å
766H54.6Low64Low167 Ų16782.7 Ų82.777%0.77347%0.468SS*.  trans-62.665.2-155.4-57-80.7000118.6Q768H766-Q768 PolarHBondContact O-N 3.03Å
767T67.4Low65.5Low23 Ų2377.6 Ų77.614%0.14144%0.441CS..  trans-69.4120163.8-35.10000109.3F746 A749 F750 H765 I805F746-T767 HydrophobicContact CD2-CG2 3.63Å; F746-T767 HydrophobicContact CE2-CG2 3.47Å; F746-T767 VanDerWaalsContact CE2-CG2 3.47Å; F746-T767 HydrophobicContact CZ-CG2 4.41Å; A749-T767 HydrophobicContact CB-CG2 3.59Å; F750-T767 HydrophobicContact CB-CG2 4.37Å; H765-T767 PolarHBondContact O-N 3.47Å; T767-I805 VanDerWaalsContact O-CD1 3.25Å; T767-I805 WeakPolarHBondContact O-CD1 3.38Å
768Q75.9Confident66.5Low169 Ų16977.9 Ų77.979%0.7945%0.45SS*.  trans-107.8158.6178.4-65.5-175.9500111.8H766H766-Q768 PolarHBondContact O-N 3.03Å
769T83.5Confident67.9Low20 Ų2077.9 Ų77.912%0.12344%0.439CS..  trans-138.4141174.9-175.50000110.5F771 H773 F802 I805 I807T769-F771 HydrophobicContact CG2-CB 4.17Å; T769-F771 PolarHBondContact O-N 3.07Å; T769-F771 WeakPolarHBondContact OG1-CB 3.48Å; T769-F771 PolarHBondContact OG1-N 3Å; T769-H773 PolarHBondContact O-CE1 2.96Å; T769-F802 HydrophobicContact CG2-CD1 4.15Å; T769-I805 HydrophobicContact CG2-CB 4.47Å; T769-I805 HydrophobicContact CG2-CD1 3.57Å; T769-I805 HydrophobicContact CG2-CG2 3.93Å; T769-I807 HydrophobicContact CG2-CG1 4.43Å
770T83.8Confident69.6Low99 Ų9972.7 Ų72.761%0.60743%0.431SS*.  trans-86.56.5174.462.10000112.6N772 H773T770-N772 PolarHBondContact O-N 3Å; T770-H773 WeakPolarHBondContact O-CB 3.33Å; T770-H773 PolarHBondContact O-N 3.42Å; T770-H773 PolarHBondContact O-ND1 3.39Å
771F90.8Very high71.1Confident0 Ų075.5 Ų75.50%043%0.429CS..THydrogen-bonded Turntrans-58.2134.2-177.6-173.8-106.2000111.4I731 W739 L742 T769 H773 W795 L798 F802 I807I731-F771 HydrophobicContact CD1-CE1 4.45Å; I731-F771 HydrophobicContact CD1-CE2 4.09Å; I731-F771 HydrophobicContact CD1-CZ 3.61Å; W739-F771 HydrophobicContact CB-CD2 4.38Å; W739-F771 HydrophobicContact CB-CE2 3.61Å; W739-F771 HydrophobicContact CB-CZ 4.35Å; L742-F771 HydrophobicContact CD1-CB 4.17Å; L742-F771 HydrophobicContact CD1-CD2 3.8Å; L742-F771 HydrophobicContact CD1-CG 4.49Å; T769-F771 HydrophobicContact CG2-CB 4.17Å; T769-F771 PolarHBondContact O-N 3.07Å; T769-F771 WeakPolarHBondContact OG1-CB 3.48Å; T769-F771 PolarHBondContact OG1-N 3Å; F771-H773 PolarHBondContact O-N 2.69Å; F771-H773 PolarHBondContact O-ND1 2.81Å; F771-W795 HydrophobicContact CE1-CZ3 4.41Å; F771-L798 HydrophobicContact CE1-CB 4.46Å; F771-L798 HydrophobicContact CZ-CB 4.24Å; F771-L798 HydrophobicContact CZ-CD1 4.29Å; F771-L798 HydrophobicContact CZ-CD2 4.38Å; F771-F802 HydrophobicContact CB-CE2 4.38Å; F771-F802 HydrophobicContact CB-CZ 4.18Å; F771-F802 HydrophobicContact CD1-CD2 4.31Å; F771-F802 AromaticContact CD1-CE2 3.92Å; F771-F802 HydrophobicContact CD1-CE2 3.92Å; F771-F802 HydrophobicContact CD1-CZ 4.49Å; F771-F802 HydrophobicContact CD2-CE2 4.23Å; F771-F802 HydrophobicContact CD2-CZ 4.19Å; F771-F802 HydrophobicContact CE1-CE2 4.22Å; F771-F802 AromaticContact CG-CE2 3.91Å; F771-F802 HydrophobicContact CG-CE2 3.91Å; F771-F802 HydrophobicContact CG-CZ 4.03Å; F771-I807 HydrophobicContact CD1-CD1 3.71Å; F771-I807 HydrophobicContact CD1-CG1 4.23Å; F771-I807 HydrophobicContact CD1-CG2 3.77Å; F771-I807 HydrophobicContact CE1-CD1 4.32Å; F771-I807 HydrophobicContact CE1-CG2 4.29Å
772N91.4Very high72.5Confident0 Ų075.8 Ų75.80%043%0.428CS..THydrogen-bonded Turntrans60.46.6-173.6-14932.7000118.3L730 I731 G732 S735 T770 D774 I775 W795 I807 P808L730-N772 PolarHBondContact O-ND2 2.98Å; I731-N772 WeakPolarHBondContact CA-OD1 3.23Å; I731-N772 WeakPolarHBondContact CG1-OD1 3.37Å; G732-N772 PolarHBondContact N-OD1 3.43Å; S735-N772 VanDerWaalsContact OG-CA 3.31Å; S735-N772 WeakPolarHBondContact OG-CA 3.25Å; S735-N772 PolarHBondContact OG-N 3Å; T770-N772 PolarHBondContact O-N 3Å; N772-D774 VanDerWaalsContact C-N 3.28Å; N772-D774 PolarHBondContact O-N 2.95Å; N772-I775 WeakPolarHBondContact O-CG2 3.24Å; N772-W795 HydrophobicContact CB-CH2 3.96Å; N772-W795 HydrophobicContact CB-CZ3 4.37Å; N772-W795 WeakPolarHBondContact ND2-CH2 3.37Å; N772-I807 HydrophobicContact CB-CG2 3.84Å; N772-P808 PolarHBondContact ND2-O 3.4Å
773H86.1Confident73.7Confident99 Ų9973 Ų7346%0.45840%0.403SS..G310 helixtrans-74.5-20.1177.4-69.972000112.9T769 T770 F771 I775 L776T769-H773 PolarHBondContact O-CE1 2.96Å; T770-H773 WeakPolarHBondContact O-CB 3.33Å; T770-H773 PolarHBondContact O-N 3.42Å; T770-H773 PolarHBondContact O-ND1 3.39Å; F771-H773 PolarHBondContact O-N 2.69Å; F771-H773 PolarHBondContact O-ND1 2.81Å; H773-I775 PolarHBondContact O-N 2.84Å; H773-L776 PolarHBondContact O-N 3.41Å
774D84.4Confident74.9Confident40 Ų4068.7 Ų68.721%0.21438%0.376CS..G310 helixtrans-69.6-8.4179.264.9-49.3000114.4G732 K733 R734 S735 N772 L776G732-D774 WeakPolarHBondContact CA-OD2 3.44Å; K733-D774 PolarHBondContact N-OD2 3.3Å; R734-D774 WeakPolarHBondContact CA-OD2 3.47Å; R734-D774 HydrophobicContact CB-CB 4.24Å; R734-D774 WeakPolarHBondContact CB-OD2 3.29Å; R734-D774 PolarHBondContact N-OD2 2.85Å; S735-D774 WeakPolarHBondContact CB-OD1 3.43Å; S735-D774 PolarHBondContact N-OD2 3.25Å; S735-D774 PolarHBondContact OG-OD1 2.95Å; N772-D774 VanDerWaalsContact C-N 3.28Å; N772-D774 PolarHBondContact O-N 2.95Å; D774-L776 PolarHBondContact O-N 3.07Å
775I85.5Confident75.8Confident0 Ų071.5 Ų71.50%037%0.373CS..G310 helixtrans-70.2-23.4175.9-163.5173.8000112.6L730 N772 H773 I782 C783 T787 F810L730-I775 HydrophobicContact CB-CD1 3.31Å; L730-I775 HydrophobicContact CD1-CD1 4.27Å; L730-I775 HydrophobicContact CG-CD1 4.42Å; N772-I775 WeakPolarHBondContact O-CG2 3.24Å; H773-I775 PolarHBondContact O-N 2.84Å; I775-I782 HydrophobicContact CG1-CG2 4.21Å; I775-I782 WeakPolarHBondContact O-CA 3.4Å; I775-C783 PolarHBondContact O-N 3.11Å; I775-T787 HydrophobicContact CD1-CG2 4.06Å; I775-T787 HydrophobicContact CG1-CG2 3.53Å; I775-F810 HydrophobicContact CD1-CD2 3.74Å; I775-F810 HydrophobicContact CD1-CE2 4.29Å; I775-F810 HydrophobicContact CD1-CG 4.3Å; I775-F810 HydrophobicContact CG2-CD2 3.92Å; I775-F810 HydrophobicContact CG2-CE2 3.4Å; I775-F810 VanDerWaalsContact CG2-CE2 3.4Å; I775-F810 HydrophobicContact CG2-CZ 4.22Å
776L82.7Confident76.8Confident64 Ų6468.5 Ų68.534%0.33536%0.362SS..BIsolated β-bridgetrans-97138.6-178.7-60.7177.4000110.7H773 D774 R781 I782 F810H773-L776 PolarHBondContact O-N 3.41Å; D774-L776 PolarHBondContact O-N 3.07Å; L776-R781 CarbonylContact C-O 3.6Å; L776-R781 WeakPolarHBondContact CA-O 3.39Å; L776-I782 HydrophobicContact CD2-CG1 4.39Å; L776-F810 HydrophobicContact CD1-CZ 4.31Å; L776-F810 HydrophobicContact CD2-CE1 4.26Å; L776-F810 HydrophobicContact CD2-CE2 4.39Å; L776-F810 HydrophobicContact CD2-CZ 3.68Å; L776-F810 HydrophobicContact CG-CZ 4.19Å
777C77.4Confident78Confident9 Ų961.1 Ų61.16%0.06133%0.329CS..  trans-75166.5164.571.40000110.2H779 G780 R781 C783C777-H779 PolarHBondContact O-N 3.42Å; C777-H779 VanDerWaalsContact O-N 3.08Å; C777-H779 VanDerWaalsContact SG-CB 3.59Å; C777-H779 PolarHBondContact SG-N 3.34Å; C777-H779 VanDerWaalsContact SG-N 3.41Å; C777-G780 PolarHBondContact O-N 3.06Å; C777-R781 PolarHBondContact N-O 3.05Å; C777-R781 PolarHBondContact SG-N 3.39Å; C777-R781 VanDerWaalsContact SG-N 3.36Å; C777-R781 PolarHBondContact SG-O 2.95Å; C777-R781 VanDerWaalsContact SG-O 3.36Å; C777-C783 VanDerWaalsContact CA-SG 3.57Å; C777-C783 WeakPolarHBondContact CB-SG 3.21Å; C777-C783 PolarHBondContact N-SG 3.38Å; C777-C783 VanDerWaalsContact N-SG 3.38Å
778P72.2Confident78.7Confident131 Ų13161.4 Ų61.485%0.85133%0.332SS*.THydrogen-bonded Turntrans-53.9-27.6172.3-26.935.8000113.7G780P778-G780 PolarHBondContact O-N 3.35Å
779H76.3Confident79.1Confident101 Ų10156.6 Ų56.647%0.46831%0.309SS..THydrogen-bonded Turntrans-818.2175.8-41.9113.6000113.9C777 R781 C837 E839C777-H779 PolarHBondContact O-N 3.42Å; C777-H779 VanDerWaalsContact O-N 3.08Å; C777-H779 VanDerWaalsContact SG-CB 3.59Å; C777-H779 PolarHBondContact SG-N 3.34Å; C777-H779 VanDerWaalsContact SG-N 3.41Å; H779-R781 VanDerWaalsContact C-N 3.28Å; H779-R781 PolarHBondContact O-N 2.76Å; H779-C837 PolarHBondContact ND1-SG 3.47Å; H779-E839 IonicContact CD2-OE2 3.23Å; H779-E839 IonicContact CE1-OE2 2.75Å; H779-E839 IonicContact CG-OE2 3.97Å; H779-E839 IonicContact ND1-OE2 3.8Å; H779-E839 IonicContact NE2-OE2 2.83Å; H779-E839 PolarHBondContact NE2-OE2 2.92Å
780G74.1Confident79.2Confident53 Ų5355.7 Ų55.755%0.54630%0.303SS..SBendtrans74.27.8176.100000115.7C777 P778C777-G780 PolarHBondContact O-N 3.06Å; P778-G780 PolarHBondContact O-N 3.35Å
781R78.6Confident79.3Confident140 Ų14051.4 Ų51.453%0.52828%0.277SS..SBendtrans-96.9156.6176.6-60.8-167.4-175.4-166.52.9111.6L776 C777 H779 C783L776-R781 CarbonylContact C-O 3.6Å; L776-R781 WeakPolarHBondContact CA-O 3.39Å; C777-R781 PolarHBondContact N-O 3.05Å; C777-R781 PolarHBondContact SG-N 3.39Å; C777-R781 VanDerWaalsContact SG-N 3.36Å; C777-R781 PolarHBondContact SG-O 2.95Å; C777-R781 VanDerWaalsContact SG-O 3.36Å; H779-R781 VanDerWaalsContact C-N 3.28Å; H779-R781 PolarHBondContact O-N 2.76Å; R781-C783 PolarHBondContact O-N 3.04Å
782I75.5Confident78.9Confident49 Ų4952.5 Ų52.525%0.25129%0.286SS..BIsolated β-bridgetrans-68.5123.8179-64172.9000109.9L730 I775 L776 T784 T787 F810L730-I782 HydrophobicContact CD1-CD1 4.14Å; I775-I782 HydrophobicContact CG1-CG2 4.21Å; I775-I782 WeakPolarHBondContact O-CA 3.4Å; L776-I782 HydrophobicContact CD2-CG1 4.39Å; I782-T784 VanDerWaalsContact C-N 3.34Å; I782-T784 PolarHBondContact O-N 3.11Å; I782-T787 HydrophobicContact CG2-CG2 3.42Å; I782-T787 VanDerWaalsContact CG2-CG2 3.42Å; I782-F810 HydrophobicContact CD1-CD1 3.98Å; I782-F810 HydrophobicContact CD1-CE1 4.39Å; I782-F810 HydrophobicContact CG1-CD1 4.48Å; I782-F810 HydrophobicContact CG1-CE1 4.46Å
783C70.4Confident78.5Confident33 Ų3354.7 Ų54.722%0.22330%0.298CS..  trans-73.283.4172.3-71.80000110.3I775 C777 R781 E785 N786 T787I775-C783 PolarHBondContact O-N 3.11Å; C777-C783 VanDerWaalsContact CA-SG 3.57Å; C777-C783 WeakPolarHBondContact CB-SG 3.21Å; C777-C783 PolarHBondContact N-SG 3.38Å; C777-C783 VanDerWaalsContact N-SG 3.38Å; R781-C783 PolarHBondContact O-N 3.04Å; C783-E785 PolarHBondContact O-N 3.35Å; C783-E785 VanDerWaalsContact O-N 3.08Å; C783-N786 HydrophobicContact CB-CB 4.06Å; C783-N786 CarbonylContact O-C 3.57Å; C783-N786 PolarHBondContact O-N 3.13Å; C783-T787 WeakPolarHBondContact O-CG2 3.4Å; C783-T787 PolarHBondContact O-N 3.12Å
784T66.7Low78.6Confident30 Ų3050 Ų5018%0.18428%0.276CS..G310 helixtrans-48.7-41.8-17755.40000112.8I782 N786 T787 F830 S835I782-T784 VanDerWaalsContact C-N 3.34Å; I782-T784 PolarHBondContact O-N 3.11Å; T784-N786 VanDerWaalsContact C-N 3.29Å; T784-N786 PolarHBondContact O-N 3.07Å; T784-T787 PolarHBondContact O-N 3.37Å; T784-T787 PolarHBondContact O-OG1 2.98Å; T784-F830 HydrophobicContact CG2-CD1 3.64Å; T784-F830 HydrophobicContact CG2-CE1 3.74Å; T784-S835 WeakPolarHBondContact CG2-OG 3.25Å
785E65.6Low78.8Confident120 Ų12048.2 Ų48.256%0.56127%0.266SS*.G310 helixtrans-64-28.7178.8-59.2-168.7161.700114.1K733 C783K733-E785 WeakPolarHBondContact CE-O 3.36Å; K733-E785 PolarHBondContact NZ-O 3.33Å; C783-E785 PolarHBondContact O-N 3.35Å; C783-E785 VanDerWaalsContact O-N 3.08Å
786N70.1Confident78.9Confident92 Ų9252.3 Ų52.349%0.49229%0.285SS..G310 helixtrans-106.614.8-177.7-74.4-28.8000113.7K733 C783 T784K733-N786 WeakPolarHBondContact CB-O 3.2Å; K733-N786 WeakPolarHBondContact CG-O 3.33Å; K733-N786 PolarHBondContact N-O 2.93Å; C783-N786 HydrophobicContact CB-CB 4.06Å; C783-N786 CarbonylContact O-C 3.57Å; C783-N786 PolarHBondContact O-N 3.13Å; T784-N786 VanDerWaalsContact C-N 3.29Å; T784-N786 PolarHBondContact O-N 3.07Å
787T79.3Confident79.2Confident11 Ų1153.3 Ų53.37%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-100.1153.8177.163.50000113K733 I775 I782 C783 T784K733-T787 VanDerWaalsContact CE-O 3.26Å; K733-T787 WeakPolarHBondContact CE-O 3.43Å; I775-T787 HydrophobicContact CD1-CG2 4.06Å; I775-T787 HydrophobicContact CG1-CG2 3.53Å; I782-T787 HydrophobicContact CG2-CG2 3.42Å; I782-T787 VanDerWaalsContact CG2-CG2 3.42Å; C783-T787 WeakPolarHBondContact O-CG2 3.4Å; C783-T787 PolarHBondContact O-N 3.12Å; T784-T787 PolarHBondContact O-N 3.37Å; T784-T787 PolarHBondContact O-OG1 2.98Å
788C82.4Confident79.9Confident30 Ų3052.9 Ų52.920%0.20328%0.284CS..EExtended strand (participates in β ladder)trans-142170.1164.252.80000108.9L730 I731 L736L730-C788 CarbonylContact C-O 3.51Å; L730-C788 WeakPolarHBondContact CA-O 3.34Å; I731-C788 WeakPolarHBondContact CG2-SG 3.34Å; I731-C788 PolarHBondContact N-O 3.09Å; I731-C788 PolarHBondContact O-N 2.85Å; I731-C788 PolarHBondContact O-SG 3.45Å; L736-C788 WeakPolarHBondContact CD2-SG 3.38Å
789H83.9Confident80.6Confident67 Ų6748.2 Ų48.231%0.3125%0.253SS..EExtended strand (participates in β ladder)trans-118.9147.6-178.858-90.1000111F698 N702 Y728 Y729 L730F698-H789 WeakPolarHBondContact CE1-O 3.44Å; N702-H789 PolarHBondContact OD1-NE2 3.3Å; Y728-H789 HydrophobicContact CD1-CB 4.41Å; Y728-H789 AromaticContact CD1-CD2 3.55Å; Y728-H789 AromaticContact CE1-CD2 3.87Å; Y729-H789 CarbonylContact O-C 3.54Å; Y729-H789 WeakPolarHBondContact O-CA 3.48Å; L730-H789 HydrophobicContact CD2-CB 4.36Å
790L85.9Confident81.1Confident1 Ų149.1 Ų49.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-128.8144.6172.7-70.4177.8000110.3L695 F698 Y728 Y729 I731 L736 L798L695-L790 HydrophobicContact CD2-CD1 3.89Å; L695-L790 HydrophobicContact CD2-CD2 3.72Å; L695-L790 HydrophobicContact CD2-CG 4.48Å; F698-L790 HydrophobicContact CD1-CD2 3.76Å; F698-L790 HydrophobicContact CE1-CD2 4.03Å; Y728-L790 CarbonylContact C-O 3.51Å; Y728-L790 VanDerWaalsContact CA-O 3.24Å; Y728-L790 WeakPolarHBondContact CA-O 3.49Å; Y729-L790 PolarHBondContact N-O 3.49Å; Y729-L790 PolarHBondContact O-N 3.21Å; I731-L790 HydrophobicContact CD1-CD1 4.13Å; I731-L790 HydrophobicContact CG2-CD1 3.93Å; I731-L790 HydrophobicContact CG2-CG 3.93Å; L736-L790 HydrophobicContact CD1-CD1 4.15Å; L790-L798 HydrophobicContact CD1-CD1 3.41Å; L790-L798 VanDerWaalsContact CD1-CD1 3.41Å
791P85.9Confident81.9Confident10 Ų1047.2 Ų47.27%0.06524%0.238CC..EExtended strand (participates in β ladder)trans-56.8144.2169.6-21.432.6000110.6F698 L704 Y728 I793 L794 W795F698-P791 HydrophobicContact CD2-CG 3.73Å; F698-P791 HydrophobicContact CE1-CG 4.47Å; F698-P791 HydrophobicContact CE2-CG 3.4Å; F698-P791 VanDerWaalsContact CE2-CG 3.4Å; F698-P791 HydrophobicContact CG-CG 4.41Å; F698-P791 VanDerWaalsContact CZ-CD 3.5Å; F698-P791 HydrophobicContact CZ-CG 3.84Å; L704-P791 HydrophobicContact CD1-CB 4.27Å; L704-P791 HydrophobicContact CD1-CG 4.38Å; L704-P791 HydrophobicContact CD2-CG 4.26Å; L704-P791 HydrophobicContact CG-CG 4.25Å; Y728-P791 HydrophobicContact CD1-CG 4.38Å; Y728-P791 HydrophobicContact CE1-CB 4.49Å; Y728-P791 HydrophobicContact CE1-CG 4.01Å; P791-I793 PolarHBondContact O-N 3.13Å; P791-L794 HydrophobicContact CG-CD1 4.4Å; P791-L794 PolarHBondContact O-N 3.34Å; P791-W795 PolarHBondContact O-N 3.03Å
792A82.2Confident82.4Confident23 Ų2340.7 Ų40.719%0.1921%0.214CC..Hα-helixtrans-45.8-41.9-179.600000113.5G727 Y729 L794 W795 H796G727-A792 WeakPolarHBondContact O-CB 3.44Å; G727-A792 PolarHBondContact O-N 3.16Å; Y729-A792 HydrophobicContact CD2-CB 4.1Å; Y729-A792 HydrophobicContact CE2-CB 3.76Å; A792-L794 PolarHBondContact O-N 3.21Å; A792-W795 WeakPolarHBondContact O-CB 3.34Å; A792-W795 PolarHBondContact O-N 2.95Å; A792-H796 PolarHBondContact O-CD2 3.42Å; A792-H796 PolarHBondContact O-N 3.28Å
793I82.4Confident82.7Confident46 Ų4641.8 Ų41.824%0.23622%0.224CC..Hα-helixtrans-58.5-49.7177.5-64.7131.3000112.5L704 Y708 P791 W795 H796 K797L704-I793 HydrophobicContact CD1-CD1 4.35Å; Y708-I793 HydrophobicContact CE1-CD1 4.1Å; Y708-I793 HydrophobicContact CE2-CG2 3.81Å; Y708-I793 WeakPolarHBondContact OH-CD1 3.18Å; Y708-I793 VanDerWaalsContact OH-CG1 3.25Å; Y708-I793 WeakPolarHBondContact OH-CG1 3.2Å; Y708-I793 WeakPolarHBondContact OH-CG2 3.34Å; P791-I793 PolarHBondContact O-N 3.13Å; I793-W795 VanDerWaalsContact C-N 3.29Å; I793-H796 PolarHBondContact O-N 3.46Å; I793-K797 WeakPolarHBondContact O-CG 3.28Å; I793-K797 PolarHBondContact O-N 2.89Å
794L88.5Confident83Confident0 Ų044.5 Ų44.50%026%0.258CS..Hα-helixtrans-69.5-34.5-177.5-64.4-174.5000110.7L691 E694 L695 F698 L704 P791 A792 L798L691-L794 HydrophobicContact CD1-CD2 4.25Å; E694-L794 HydrophobicContact CB-CD2 3.84Å; L695-L794 HydrophobicContact CD2-CB 4.19Å; L695-L794 HydrophobicContact CD2-CD1 4.1Å; F698-L794 HydrophobicContact CB-CD1 3.72Å; F698-L794 HydrophobicContact CD1-CD1 4.48Å; F698-L794 HydrophobicContact CD2-CD1 4.48Å; F698-L794 HydrophobicContact CG-CD1 3.96Å; L704-L794 HydrophobicContact CD2-CD1 3.94Å; L704-L794 HydrophobicContact CD2-CD2 4.3Å; L704-L794 HydrophobicContact CD2-CG 4Å; P791-L794 HydrophobicContact CG-CD1 4.4Å; P791-L794 PolarHBondContact O-N 3.34Å; A792-L794 PolarHBondContact O-N 3.21Å; L794-L798 PolarHBondContact O-N 3.34Å
795W88.5Confident83.7Confident2 Ų245 Ų451%0.00826%0.259CS..Hα-helixtrans-59.2-52.1171.5171.4-99000111.8Y729 I731 F771 N772 P791 A792 I793 K797 L798 V799 I807 P808 T809Y729-W795 AromaticContact CD1-CD1 3.72Å; Y729-W795 HydrophobicContact CD1-CD2 4.16Å; Y729-W795 AromaticContact CD1-CE2 3.95Å; Y729-W795 HydrophobicContact CD1-CG 4.07Å; Y729-W795 AromaticContact CD1-NE1 3.62Å; Y729-W795 HydrophobicContact CD2-CB 3.87Å; Y729-W795 AromaticContact CD2-CD1 3.58Å; Y729-W795 AromaticContact CD2-CG 3.7Å; Y729-W795 HydrophobicContact CD2-CG 3.7Å; Y729-W795 AromaticContact CE1-CD1 3.95Å; Y729-W795 AromaticContact CE1-NE1 3.83Å; Y729-W795 AromaticContact CE2-CD1 3.8Å; Y729-W795 HydrophobicContact CE2-CG 4.35Å; Y729-W795 HydrophobicContact CG-CB 4.04Å; Y729-W795 AromaticContact CG-CD1 3.52Å; Y729-W795 AromaticContact CG-CD2 3.86Å; Y729-W795 HydrophobicContact CG-CD2 3.86Å; Y729-W795 AromaticContact CG-CG 3.51Å; Y729-W795 HydrophobicContact CG-CG 3.51Å; Y729-W795 AromaticContact CG-NE1 3.88Å; Y729-W795 AromaticContact CZ-CD1 3.97Å; I731-W795 HydrophobicContact CB-CZ3 4.21Å; I731-W795 HydrophobicContact CD1-CZ3 4.32Å; I731-W795 HydrophobicContact CG1-CZ3 4.25Å; F771-W795 HydrophobicContact CE1-CZ3 4.41Å; N772-W795 HydrophobicContact CB-CH2 3.96Å; N772-W795 HydrophobicContact CB-CZ3 4.37Å; N772-W795 WeakPolarHBondContact ND2-CH2 3.37Å; P791-W795 PolarHBondContact O-N 3.03Å; A792-W795 WeakPolarHBondContact O-CB 3.34Å; A792-W795 PolarHBondContact O-N 2.95Å; I793-W795 VanDerWaalsContact C-N 3.29Å; W795-K797 PolarHBondContact O-N 3.45Å; W795-L798 WeakPolarHBondContact O-CB 3.44Å; W795-L798 PolarHBondContact O-N 3.19Å; W795-L798 VanDerWaalsContact O-N 3.08Å; W795-V799 HydrophobicContact CD2-CG2 4.19Å; W795-V799 HydrophobicContact CH2-CG2 4.42Å; W795-V799 HydrophobicContact CZ2-CG2 3.68Å; W795-V799 WeakPolarHBondContact O-CG2 3.16Å; W795-V799 PolarHBondContact O-N 2.97Å; W795-I807 HydrophobicContact CH2-CG2 3.61Å; W795-I807 HydrophobicContact CZ2-CG2 3.81Å; W795-P808 WeakPolarHBondContact CH2-O 3.41Å; W795-T809 HydrophobicContact CZ2-CG2 3.44Å; W795-T809 VanDerWaalsContact CZ2-CG2 3.44Å
796H88.3Confident84.5Confident86 Ų8649.1 Ų49.140%0.39828%0.275SS..Hα-helixtrans-62.5-41.6-179.9-68.1-56000112.1Y729 A792 I793 L798 V799 D800Y729-H796 AromaticContact CE2-NE2 3.95Å; A792-H796 PolarHBondContact O-CD2 3.42Å; A792-H796 PolarHBondContact O-N 3.28Å; I793-H796 PolarHBondContact O-N 3.46Å; H796-L798 VanDerWaalsContact C-N 3.27Å; H796-L798 PolarHBondContact O-N 3.14Å; H796-V799 CarbonylContact O-C 3.46Å; H796-V799 PolarHBondContact O-N 3.05Å; H796-V799 VanDerWaalsContact O-N 3.09Å; H796-D800 PolarHBondContact O-N 3.42Å
797K89.1Confident85.3Confident85 Ų8545.5 Ų45.537%0.3726%0.255SS..Hα-helixtrans-62-31.9173.6-71.5-174.6177.1-171.30113.7L691 I793 W795L691-K797 HydrophobicContact CD1-CB 3.67Å; L691-K797 HydrophobicContact CD1-CD 4.16Å; L691-K797 HydrophobicContact CD2-CB 4.2Å; I793-K797 WeakPolarHBondContact O-CG 3.28Å; I793-K797 PolarHBondContact O-N 2.89Å; W795-K797 PolarHBondContact O-N 3.45Å
798L91.2Very high85.6Confident0 Ų046.4 Ų46.40%026%0.262CS..Hα-helixtrans-70-43.1172.6-84.6169.9000111.1L691 L695 I731 W739 F771 L790 L794 W795 H796 D800 L801 F802L691-L798 HydrophobicContact CD2-CB 4.46Å; L691-L798 HydrophobicContact CD2-CD2 3.65Å; L691-L798 HydrophobicContact CD2-CG 3.83Å; L695-L798 HydrophobicContact CD1-CD1 4.16Å; L695-L798 HydrophobicContact CD1-CD2 3.92Å; L695-L798 HydrophobicContact CD1-CG 4.16Å; L695-L798 HydrophobicContact CD2-CD1 4.17Å; I731-L798 HydrophobicContact CD1-CD1 4.06Å; W739-L798 HydrophobicContact CB-CD2 3.93Å; W739-L798 HydrophobicContact CD2-CD2 3.55Å; W739-L798 HydrophobicContact CE3-CD2 3.42Å; W739-L798 VanDerWaalsContact CE3-CD2 3.42Å; W739-L798 HydrophobicContact CG-CD2 3.82Å; W739-L798 HydrophobicContact CZ3-CD2 4.08Å; F771-L798 HydrophobicContact CE1-CB 4.46Å; F771-L798 HydrophobicContact CZ-CB 4.24Å; F771-L798 HydrophobicContact CZ-CD1 4.29Å; F771-L798 HydrophobicContact CZ-CD2 4.38Å; L790-L798 HydrophobicContact CD1-CD1 3.41Å; L790-L798 VanDerWaalsContact CD1-CD1 3.41Å; L794-L798 PolarHBondContact O-N 3.34Å; W795-L798 WeakPolarHBondContact O-CB 3.44Å; W795-L798 PolarHBondContact O-N 3.19Å; W795-L798 VanDerWaalsContact O-N 3.08Å; H796-L798 VanDerWaalsContact C-N 3.27Å; H796-L798 PolarHBondContact O-N 3.14Å; L798-D800 VanDerWaalsContact C-N 3.32Å; L798-D800 PolarHBondContact O-N 3.49Å; L798-L801 HydrophobicContact CD2-CD1 4.45Å; L798-L801 WeakPolarHBondContact O-CB 3.19Å; L798-L801 PolarHBondContact O-N 2.84Å; L798-F802 VanDerWaalsContact O-CD2 3.3Å; L798-F802 WeakPolarHBondContact O-CD2 3.44Å; L798-F802 WeakPolarHBondContact O-CE2 3.4Å
799V88.3Confident85.6Confident34 Ų3448.5 Ų48.521%0.20627%0.274CS..Hα-helixtrans-63.9-36.9177.5170.80000111.5W795 H796 L801 F802 I807W795-V799 HydrophobicContact CD2-CG2 4.19Å; W795-V799 HydrophobicContact CH2-CG2 4.42Å; W795-V799 HydrophobicContact CZ2-CG2 3.68Å; W795-V799 WeakPolarHBondContact O-CG2 3.16Å; W795-V799 PolarHBondContact O-N 2.97Å; H796-V799 CarbonylContact O-C 3.46Å; H796-V799 PolarHBondContact O-N 3.05Å; H796-V799 VanDerWaalsContact O-N 3.09Å; V799-L801 PolarHBondContact O-N 3.21Å; V799-F802 PolarHBondContact O-N 3.21Å; V799-I807 HydrophobicContact CB-CD1 4.23Å; V799-I807 HydrophobicContact CG1-CD1 4.14Å; V799-I807 HydrophobicContact CG2-CB 4.47Å; V799-I807 HydrophobicContact CG2-CD1 3.98Å
800D87Confident85.6Confident119 Ų11947.9 Ų47.964%0.63627%0.27SS*.THydrogen-bonded Turntrans-60.6-18.4177.5-69.7-21.1000113.6H796 L798 F802H796-D800 PolarHBondContact O-N 3.42Å; L798-D800 VanDerWaalsContact C-N 3.32Å; L798-D800 PolarHBondContact O-N 3.49Å; D800-F802 PolarHBondContact O-N 3.25Å
801L90Very high85.3Confident14 Ų1452.1 Ų52.17%0.07330%0.298CS..THydrogen-bonded Turntrans-74.1-10.3173-59.6176.2000113.2A687 I688 L691 W739 A743 L798 V799 P803A687-L801 HydrophobicContact CB-CD2 3.64Å; I688-L801 HydrophobicContact CG1-CD1 4.48Å; L691-L801 HydrophobicContact CD2-CD1 3.95Å; W739-L801 HydrophobicContact CE3-CD1 3.69Å; W739-L801 HydrophobicContact CZ3-CD1 3.62Å; A743-L801 HydrophobicContact CB-CB 4.07Å; A743-L801 HydrophobicContact CB-CD1 4.1Å; L798-L801 HydrophobicContact CD2-CD1 4.45Å; L798-L801 WeakPolarHBondContact O-CB 3.19Å; L798-L801 PolarHBondContact O-N 2.84Å; V799-L801 PolarHBondContact O-N 3.21Å; L801-P803 WeakPolarHBondContact O-CD 3.38Å
802F89.2Confident84.7Confident2 Ų253.3 Ų53.31%0.00930%0.303CS..SBendtrans-124.861.6-177.7-53.8-85.3000110.9L742 A743 F746 T769 F771 L798 V799 D800 G804 I805 I807L742-F802 HydrophobicContact CB-CE1 4.06Å; L742-F802 HydrophobicContact CB-CZ 3.96Å; A743-F802 HydrophobicContact CB-CE1 4.37Å; A743-F802 HydrophobicContact CB-CZ 4.08Å; F746-F802 HydrophobicContact CB-CD1 3.84Å; F746-F802 HydrophobicContact CB-CE1 4.02Å; F746-F802 HydrophobicContact CD1-CD1 4.06Å; F746-F802 HydrophobicContact CD2-CD1 4.37Å; F746-F802 AromaticContact CG-CD1 3.79Å; F746-F802 HydrophobicContact CG-CD1 3.79Å; F746-F802 HydrophobicContact CG-CE1 4.47Å; T769-F802 HydrophobicContact CG2-CD1 4.15Å; F771-F802 HydrophobicContact CB-CE2 4.38Å; F771-F802 HydrophobicContact CB-CZ 4.18Å; F771-F802 HydrophobicContact CD1-CD2 4.31Å; F771-F802 AromaticContact CD1-CE2 3.92Å; F771-F802 HydrophobicContact CD1-CE2 3.92Å; F771-F802 HydrophobicContact CD1-CZ 4.49Å; F771-F802 HydrophobicContact CD2-CE2 4.23Å; F771-F802 HydrophobicContact CD2-CZ 4.19Å; F771-F802 HydrophobicContact CE1-CE2 4.22Å; F771-F802 AromaticContact CG-CE2 3.91Å; F771-F802 HydrophobicContact CG-CE2 3.91Å; F771-F802 HydrophobicContact CG-CZ 4.03Å; L798-F802 VanDerWaalsContact O-CD2 3.3Å; L798-F802 WeakPolarHBondContact O-CD2 3.44Å; L798-F802 WeakPolarHBondContact O-CE2 3.4Å; V799-F802 PolarHBondContact O-N 3.21Å; D800-F802 PolarHBondContact O-N 3.25Å; F802-G804 PolarHBondContact O-N 3.09Å; F802-I805 PolarHBondContact O-N 2.97Å; F802-I807 HydrophobicContact CB-CD1 3.82Å; F802-I807 HydrophobicContact CD2-CD1 3.67Å; F802-I807 HydrophobicContact CG-CD1 3.97Å
803P81.6Confident84.2Confident72 Ų7258.5 Ų58.547%0.46832%0.319SS..THydrogen-bonded Turntrans-57.6137.8-178.324.7-36.3000111.9F746 L801 I805F746-P803 HydrophobicContact CE1-CG 4.09Å; F746-P803 WeakPolarHBondContact CZ-O 3.31Å; L801-P803 WeakPolarHBondContact O-CD 3.38Å; P803-I805 PolarHBondContact O-N 3Å
804G77Confident83.2Confident91 Ų9158.8 Ų58.894%0.93832%0.32SS*.THydrogen-bonded Turntrans84.5-3.6175.100000116F802F802-G804 PolarHBondContact O-N 3.09Å
805I82.3Confident81.7Confident41 Ų4163.2 Ų63.221%0.2135%0.349CS..  trans-107.4141.1176.1-61.6176.1000111.7F746 T767 T769 F802 P803F746-I805 HydrophobicContact CD2-CD1 3.7Å; F746-I805 HydrophobicContact CE2-CD1 3.17Å; F746-I805 HydrophobicContact CE2-CG1 3.97Å; F746-I805 HydrophobicContact CZ-CD1 3.91Å; F746-I805 HydrophobicContact CZ-CG1 4.29Å; T767-I805 VanDerWaalsContact O-CD1 3.25Å; T767-I805 WeakPolarHBondContact O-CD1 3.38Å; T769-I805 HydrophobicContact CG2-CB 4.47Å; T769-I805 HydrophobicContact CG2-CD1 3.57Å; T769-I805 HydrophobicContact CG2-CG2 3.93Å; F802-I805 PolarHBondContact O-N 2.97Å; P803-I805 PolarHBondContact O-N 3Å
806K81.1Confident79.8Confident206 Ų20669.6 Ų69.690%0.89637%0.374SS*.  trans-82.5108.7165.4-66.8-176.7179.8-179.80110.8
807I88Confident78Confident15 Ų1572.5 Ų72.58%0.07739%0.393CS..  trans-87.8137.7175.1-68.9163.2000109.6T769 F771 N772 W795 V799 F802 T809T769-I807 HydrophobicContact CG2-CG1 4.43Å; F771-I807 HydrophobicContact CD1-CD1 3.71Å; F771-I807 HydrophobicContact CD1-CG1 4.23Å; F771-I807 HydrophobicContact CD1-CG2 3.77Å; F771-I807 HydrophobicContact CE1-CD1 4.32Å; F771-I807 HydrophobicContact CE1-CG2 4.29Å; N772-I807 HydrophobicContact CB-CG2 3.84Å; W795-I807 HydrophobicContact CH2-CG2 3.61Å; W795-I807 HydrophobicContact CZ2-CG2 3.81Å; V799-I807 HydrophobicContact CB-CD1 4.23Å; V799-I807 HydrophobicContact CG1-CD1 4.14Å; V799-I807 HydrophobicContact CG2-CB 4.47Å; V799-I807 HydrophobicContact CG2-CD1 3.98Å; F802-I807 HydrophobicContact CB-CD1 3.82Å; F802-I807 HydrophobicContact CD2-CD1 3.67Å; F802-I807 HydrophobicContact CG-CD1 3.97Å; I807-T809 PolarHBondContact O-N 3.23Å
808P85.5Confident76.1Confident31 Ų3175.8 Ų75.820%0.20141%0.414CS..  trans-55.4131.2174.6-24.733.3000112.6N772 W795 F810N772-P808 PolarHBondContact ND2-O 3.4Å; W795-P808 WeakPolarHBondContact CH2-O 3.41Å; P808-F810 HydrophobicContact CB-CE2 4.21Å
809T82.9Confident73.9Confident73 Ų7382.7 Ų82.745%0.44845%0.451SS..  trans-124.4137.6-176.846.20000111.6Y729 W795 I807Y729-T809 HydrophobicContact CD1-CG2 4.04Å; Y729-T809 HydrophobicContact CE1-CG2 3.89Å; W795-T809 HydrophobicContact CZ2-CG2 3.44Å; W795-T809 VanDerWaalsContact CZ2-CG2 3.44Å; I807-T809 PolarHBondContact O-N 3.23Å
810F83.9Confident71.6Confident55 Ų5588.3 Ų88.324%0.24148%0.48CS..  trans-13688.5175-61.1-89.6000109.5L730 I775 L776 I782 P808L730-F810 HydrophobicContact CB-CB 4.04Å; L730-F810 HydrophobicContact CD1-CB 4.06Å; L730-F810 HydrophobicContact CG-CB 4.39Å; L730-F810 PolarHBondContact N-O 2.85Å; I775-F810 HydrophobicContact CD1-CD2 3.74Å; I775-F810 HydrophobicContact CD1-CE2 4.29Å; I775-F810 HydrophobicContact CD1-CG 4.3Å; I775-F810 HydrophobicContact CG2-CD2 3.92Å; I775-F810 HydrophobicContact CG2-CE2 3.4Å; I775-F810 VanDerWaalsContact CG2-CE2 3.4Å; I775-F810 HydrophobicContact CG2-CZ 4.22Å; L776-F810 HydrophobicContact CD1-CZ 4.31Å; L776-F810 HydrophobicContact CD2-CE1 4.26Å; L776-F810 HydrophobicContact CD2-CE2 4.39Å; L776-F810 HydrophobicContact CD2-CZ 3.68Å; L776-F810 HydrophobicContact CG-CZ 4.19Å; I782-F810 HydrophobicContact CD1-CD1 3.98Å; I782-F810 HydrophobicContact CD1-CE1 4.39Å; I782-F810 HydrophobicContact CG1-CD1 4.48Å; I782-F810 HydrophobicContact CG1-CE1 4.46Å; P808-F810 HydrophobicContact CB-CE2 4.21Å
811P78.2Confident69.6Low89 Ų8990 Ų9058%0.57849%0.489SS*.EExtended strand (participates in β ladder)trans-75.2142.9-179.329.9-33.3000112.2Y728 Y729Y728-P811 CarbonylContact O-C 3.43Å; Y728-P811 VanDerWaalsContact O-CA 3.25Å; Y728-P811 WeakPolarHBondContact O-CA 3.39Å; Y729-P811 HydrophobicContact CD1-CB 4.28Å; Y729-P811 HydrophobicContact CE1-CB 4.03Å
812I73.5Confident67.2Low36 Ų3694.4 Ų94.419%0.18552%0.517CS..EExtended strand (participates in β ladder)trans-118.4122.7171-62.7174.9000107.2Y728 L730 I814 I829Y728-I812 PolarHBondContact N-O 2.88Å; Y728-I812 PolarHBondContact O-N 3.44Å; L730-I812 HydrophobicContact CD1-CD1 3.97Å; L730-I812 HydrophobicContact CD1-CG1 4.4Å; L730-I812 HydrophobicContact CD2-CD1 3.44Å; L730-I812 VanDerWaalsContact CD2-CD1 3.44Å; L730-I812 HydrophobicContact CD2-CG1 4.48Å; L730-I812 HydrophobicContact CG-CD1 3.58Å; L730-I812 HydrophobicContact CG-CG1 4.13Å; I812-I814 HydrophobicContact CG2-CG1 4.46Å; I812-I829 HydrophobicContact CD1-CG2 4.49Å; I812-I829 HydrophobicContact CG2-CD1 4.27Å; I812-I829 HydrophobicContact CG2-CG2 4.31Å
813Y70.8Confident64.9Low132 Ų13299.3 Ų99.352%0.51855%0.547SS..EExtended strand (participates in β ladder)trans-98.6124.2174.8-167.8-93.5000109.9E725E725-Y813 HydrophobicContact CB-CE2 4.15Å; E725-Y813 HydrophobicContact CG-CE2 4.41Å
814I63.2Low63.3Low51 Ų5199.7 Ų99.726%0.26254%0.544SS..PPolyproline II helixtrans-101.3119.6175.2-54.3-177.3000108.1Y728 I812 I829Y728-I814 HydrophobicContact CD2-CD1 3.72Å; Y728-I814 HydrophobicContact CD2-CG1 4.17Å; Y728-I814 HydrophobicContact CE2-CD1 3.55Å; Y728-I814 HydrophobicContact CE2-CG1 4.32Å; I812-I814 HydrophobicContact CG2-CG1 4.46Å; I814-I829 HydrophobicContact CD1-CD1 4.48Å
815P55.8Low61.6Low94 Ų94101.3 Ų101.361%0.6153%0.531SS*.PPolyproline II helixtrans-60.2142.9174.7-2031.1000112.2D817P815-D817 PolarHBondContact O-N 3.27Å
816Y48.8Very low59.8Low135 Ų135105 Ų10553%0.52956%0.56SS.*  trans-72105172.8-81.9-87.5000110.5P726P726-Y816 VanDerWaalsContact CD-CE2 3.49Å; P726-Y816 WeakPolarHBondContact CD-OH 3.13Å; P726-Y816 HydrophobicContact CG-CE2 4.06Å
817D51.8Low57.8Low148 Ų148100 Ų10079%0.79154%0.543SS*.  trans-96.8117.5161.6-84.7-22.9000109.8P815 N819P815-D817 PolarHBondContact O-N 3.27Å; D817-N819 PolarHBondContact O-N 3.26Å
818N47.7Very low55.9Low153 Ų153103.4 Ų103.482%0.81857%0.568SS**  trans-71.69.9-178.8-90.8-19.6000114.7
819N45.4Very low54.2Low146 Ų146106.2 Ų106.278%0.78158%0.581SS**SBendtrans-97.5107.5176.7-82.1-17.4000110.6D817D817-N819 PolarHBondContact O-N 3.26Å
820N40.7Very low52.7Low151 Ų151107.3 Ų107.381%0.80758%0.579SS**SBendtrans-43.8139.9177.5-73.6-38.1000114
821N43.6Very low50.8Low154 Ų154109.9 Ų109.982%0.82460%0.595SS**  trans84.728.7157.2-63-13.8000120.4T823N821-T823 PolarHBondContact O-N 3.27Å
822T39.4Very low49.4Very low107 Ų107114.1 Ų114.166%0.65661%0.605SS**  trans-80.493.7151.334.60000109.4I824T822-I824 PolarHBondContact O-N 3.01Å
823T41.6Very low48.2Very low105 Ų105117.4 Ų117.464%0.64463%0.631SS**  trans-36.8130.6153.33.20000108.7N821 N825N821-T823 PolarHBondContact O-N 3.27Å; T823-N825 PolarHBondContact O-N 3.5Å
824I48.4Very low47.2Very low80 Ų80118.9 Ų118.941%0.4164%0.643SS.*SBendtrans-53.2-5.1176.7-63.7164.4000112.9N702 T822 S826N702-I824 VanDerWaalsContact ND2-CG2 3.27Å; N702-I824 WeakPolarHBondContact ND2-CG2 3.26Å; T822-I824 PolarHBondContact O-N 3.01Å; I824-S826 PolarHBondContact O-N 3.22Å
825N41.5Very low46.9Very low125 Ų125118.1 Ų118.167%0.66864%0.642SS**THydrogen-bonded Turntrans-61.6109166.7-68.3-12.3000109.9T823T823-N825 PolarHBondContact O-N 3.5Å
826S43.9Very low47.2Very low118 Ų118115.4 Ų115.483%0.82563%0.625SS**THydrogen-bonded Turntrans77.134162.262.30000119.1I824 S828I824-S826 PolarHBondContact O-N 3.22Å; S826-S828 PolarHBondContact O-N 3.21Å
827I39.5Very low48.5Very low101 Ų101109.7 Ų109.752%0.51861%0.605SS.*  trans-76.1115.6151.9-58.8176.8000107.3I829I827-I829 HydrophobicContact CG2-CG1 4.16Å; I827-I829 PolarHBondContact O-N 2.77Å
828S47.8Very low49.5Very low88 Ų88106.9 Ų106.962%0.61560%0.597SS**  trans-62.853.6-178.752.80000114.4S826 F830 N831S826-S828 PolarHBondContact O-N 3.21Å; S828-F830 PolarHBondContact O-N 2.76Å; S828-N831 PolarHBondContact O-N 2.87Å
829I49.6Very low50.7Low90 Ų90105.2 Ų105.246%0.46258%0.584SS.*  trans-63.4-32.7175.2-60.4176000110.4I812 I814 I827 N831I812-I829 HydrophobicContact CD1-CG2 4.49Å; I812-I829 HydrophobicContact CG2-CD1 4.27Å; I812-I829 HydrophobicContact CG2-CG2 4.31Å; I814-I829 HydrophobicContact CD1-CD1 4.48Å; I827-I829 HydrophobicContact CG2-CG1 4.16Å; I827-I829 PolarHBondContact O-N 2.77Å; I829-N831 VanDerWaalsContact C-N 3.32Å; I829-N831 PolarHBondContact O-N 3.07Å; I829-N831 VanDerWaalsContact O-N 3.1Å
830F50.7Low52.1Low96 Ų96100.5 Ų100.542%0.42156%0.562SS.*SBendtrans-80.583.2163.8-58.3-75.9000108.6T784 S828 K832T784-F830 HydrophobicContact CG2-CD1 3.64Å; T784-F830 HydrophobicContact CG2-CE1 3.74Å; S828-F830 PolarHBondContact O-N 2.76Å; F830-K832 PolarHBondContact O-N 3.09Å
831N45.3Very low53.7Low108 Ų10895.8 Ų95.858%0.57854%0.537SS*.  trans-56.398.3151-85.8-18.4000105.6S828 I829 S833 E834S828-N831 PolarHBondContact O-N 2.87Å; I829-N831 VanDerWaalsContact C-N 3.32Å; I829-N831 PolarHBondContact O-N 3.07Å; I829-N831 VanDerWaalsContact O-N 3.1Å; N831-S833 PolarHBondContact O-N 3.38Å; N831-E834 PolarHBondContact O-N 3.31Å
832K48.8Very low55.1Low178 Ų17891.4 Ų91.477%0.77452%0.522SS*.THydrogen-bonded Turntrans-57.8-13.4-169.5-86-176.8174.1-178.40113.3F830 S836F830-K832 PolarHBondContact O-N 3.09Å; K832-S836 PolarHBondContact O-OG 3.05Å
833S46.9Very low56.9Low106 Ų10689.6 Ų89.674%0.74151%0.51SS*.THydrogen-bonded Turntrans-80-24.6-17850.40000115.3N831N831-S833 PolarHBondContact O-N 3.38Å
834E50Low58.6Low162 Ų16287.3 Ų87.376%0.75749%0.492SS*.THydrogen-bonded Turntrans-113.3-18.1-171.8-72.9-176.217100115.9N831N831-E834 PolarHBondContact O-N 3.31Å
835S57.8Low60Low36 Ų3689 Ų8925%0.25250%0.502SS..SBendtrans-104.1-13-173.350.90000115.5T784T784-S835 WeakPolarHBondContact CG2-OG 3.25Å
836S62.4Low61.9Low36 Ų3685.7 Ų85.725%0.25249%0.485SS..SBendtrans-90.7139.2178.865.80000111.7K832 S838K832-S836 PolarHBondContact O-OG 3.05Å; S836-S838 PolarHBondContact O-N 3.48Å
837C75.4Confident63.8Low15 Ų1580.1 Ų80.110%0.10145%0.446CS..  trans-82.2112.5177179.80000109.4H779 E839 C840 N841H779-C837 PolarHBondContact ND1-SG 3.47Å; C837-E839 VanDerWaalsContact C-N 3.25Å; C837-E839 PolarHBondContact O-N 3.34Å; C837-C840 HydrophobicContact CB-CB 4.03Å; C837-C840 PolarHBondContact O-N 2.94Å; C837-N841 PolarHBondContact O-N 2.9Å; C837-N841 VanDerWaalsContact O-N 3.09Å
838S72.6Confident65.7Low90 Ų9078.1 Ų78.163%0.62944%0.438SS*.Hα-helixtrans-59.3-35.4-179.851.10000113S836 N841 A842S836-S838 PolarHBondContact O-N 3.48Å; S838-N841 PolarHBondContact O-N 3.29Å; S838-A842 PolarHBondContact O-N 3.18Å; S838-A842 VanDerWaalsContact O-N 3.14Å
839E73.3Confident67.4Low118 Ų11878.9 Ų78.955%0.55143%0.432SS*.Hα-helixtrans-68.1-45.9178.4-67.2173.5-178.500111.6H779 C837 N841 A842 V843H779-E839 IonicContact CD2-OE2 3.23Å; H779-E839 IonicContact CE1-OE2 2.75Å; H779-E839 IonicContact CG-OE2 3.97Å; H779-E839 IonicContact ND1-OE2 3.8Å; H779-E839 IonicContact NE2-OE2 2.83Å; H779-E839 PolarHBondContact NE2-OE2 2.92Å; C837-E839 VanDerWaalsContact C-N 3.25Å; C837-E839 PolarHBondContact O-N 3.34Å; E839-N841 VanDerWaalsContact C-N 3.33Å; E839-N841 PolarHBondContact O-N 2.98Å; E839-A842 PolarHBondContact O-N 3.49Å; E839-V843 WeakPolarHBondContact O-CG2 3.37Å; E839-V843 PolarHBondContact O-N 3.39Å
840C74Confident69.1Low46 Ų4676.6 Ų76.631%0.31142%0.418SS..Hα-helixtrans-62.9-38.8175.6-65.30000112.1C837 V843 Q844C837-C840 HydrophobicContact CB-CB 4.03Å; C837-C840 PolarHBondContact O-N 2.94Å; C840-V843 PolarHBondContact O-N 3.46Å; C840-Q844 WeakPolarHBondContact O-CB 3.45Å; C840-Q844 PolarHBondContact O-N 3.2Å
841N75Confident70.7Confident53 Ų5372.2 Ų72.228%0.28340%0.399SS..Hα-helixtrans-65.3-39179-77.4-6.2000112.5C837 S838 E839 Q844 N845C837-N841 PolarHBondContact O-N 2.9Å; C837-N841 VanDerWaalsContact O-N 3.09Å; S838-N841 PolarHBondContact O-N 3.29Å; E839-N841 VanDerWaalsContact C-N 3.33Å; E839-N841 PolarHBondContact O-N 2.98Å; N841-Q844 PolarHBondContact O-N 2.99Å; N841-N845 PolarHBondContact O-N 2.92Å; N841-N845 VanDerWaalsContact O-N 3.17Å; N841-N845 PolarHBondContact O-ND2 2.82Å
842A74Confident72.4Confident62 Ų6271.9 Ų71.951%0.51240%0.397SS..Hα-helixtrans-64.7-46177.500000111.7S838 E839 Q844 N845 D846S838-A842 PolarHBondContact O-N 3.18Å; S838-A842 VanDerWaalsContact O-N 3.14Å; E839-A842 PolarHBondContact O-N 3.49Å; A842-Q844 VanDerWaalsContact C-N 3.32Å; A842-Q844 PolarHBondContact O-N 3.44Å; A842-N845 PolarHBondContact O-N 2.55Å; A842-D846 PolarHBondContact O-N 2.83Å
843V76.6Confident73.9Confident68 Ų6869.6 Ų69.641%0.41238%0.383SS..Hα-helixtrans-61.5-40.7176.9175.20000111.3E839 C840 N845 D846 L847E839-V843 WeakPolarHBondContact O-CG2 3.37Å; E839-V843 PolarHBondContact O-N 3.39Å; C840-V843 PolarHBondContact O-N 3.46Å; V843-N845 PolarHBondContact O-N 2.69Å; V843-D846 PolarHBondContact O-N 3Å; V843-L847 HydrophobicContact CG1-CD1 4.06Å; V843-L847 HydrophobicContact CG1-CG 4.41Å; V843-L847 WeakPolarHBondContact O-CG 3.32Å; V843-L847 PolarHBondContact O-N 3.48Å; V843-L847 VanDerWaalsContact O-N 3.09Å
844Q77.8Confident75.9Confident57 Ų5765.2 Ų65.227%0.26635%0.351SS..Hα-helixtrans-64.3-39.8179.7-173.56021.600112.6C840 N841 A842 T848 P945C840-Q844 WeakPolarHBondContact O-CB 3.45Å; C840-Q844 PolarHBondContact O-N 3.2Å; N841-Q844 PolarHBondContact O-N 2.99Å; A842-Q844 VanDerWaalsContact C-N 3.32Å; A842-Q844 PolarHBondContact O-N 3.44Å; Q844-T848 WeakPolarHBondContact O-CB 3.3Å; Q844-T848 PolarHBondContact O-N 3.3Å; Q844-T848 VanDerWaalsContact O-N 3.13Å; Q844-T848 PolarHBondContact O-OG1 3.29Å; Q844-P945 PolarHBondContact NE2-O 2.85Å; Q844-P945 PolarHBondContact OE1-O 3.13Å
845N77.7Confident77.5Confident115 Ų11563.9 Ų63.962%0.61534%0.339SS*.Hα-helixtrans-65.3-43.7177.2-72.3-24000111.9N841 A842 V843 T848 E849N841-N845 PolarHBondContact O-N 2.92Å; N841-N845 VanDerWaalsContact O-N 3.17Å; N841-N845 PolarHBondContact O-ND2 2.82Å; A842-N845 PolarHBondContact O-N 2.55Å; V843-N845 PolarHBondContact O-N 2.69Å; N845-T848 WeakPolarHBondContact O-CB 3.24Å; N845-T848 PolarHBondContact O-N 3.02Å; N845-E849 PolarHBondContact O-N 3Å
846D80.9Confident78.6Confident56 Ų5668.7 Ų68.730%0.29936%0.358SS..Hα-helixtrans-62.7-46.5179.4-179.274000112.3A842 V843 T848 E849 R850 Y1021A842-D846 PolarHBondContact O-N 2.83Å; V843-D846 PolarHBondContact O-N 3Å; D846-T848 VanDerWaalsContact C-N 3.25Å; D846-T848 PolarHBondContact O-N 2.96Å; D846-E849 PolarHBondContact O-N 3.24Å; D846-R850 PolarHBondContact O-N 3.29Å; D846-Y1021 WeakPolarHBondContact OD2-CD2 3.46Å
847L83.9Confident79.3Confident1 Ų170.6 Ų70.61%0.00536%0.363CS..Hα-helixtrans-61-35.8175-70.2176.3000112.5V843 A851 F941 P945 A947 L950 Y1021V843-L847 HydrophobicContact CG1-CD1 4.06Å; V843-L847 HydrophobicContact CG1-CG 4.41Å; V843-L847 WeakPolarHBondContact O-CG 3.32Å; V843-L847 PolarHBondContact O-N 3.48Å; V843-L847 VanDerWaalsContact O-N 3.09Å; L847-A851 WeakPolarHBondContact O-CB 3.47Å; L847-A851 PolarHBondContact O-N 2.85Å; L847-F941 HydrophobicContact CB-CE2 4.29Å; L847-F941 HydrophobicContact CD2-CE2 4.04Å; L847-F941 HydrophobicContact CD2-CZ 4.31Å; L847-P945 HydrophobicContact CB-CB 4.2Å; L847-P945 WeakPolarHBondContact O-CB 3.23Å; L847-A947 HydrophobicContact CD1-CB 4.24Å; L847-A947 VanDerWaalsContact CD1-N 3.31Å; L847-L950 HydrophobicContact CD2-CD2 4.31Å; L847-Y1021 HydrophobicContact CD2-CD2 4.37Å; L847-Y1021 HydrophobicContact CD2-CE1 4.26Å; L847-Y1021 HydrophobicContact CD2-CE2 3.76Å; L847-Y1021 HydrophobicContact CG-CE2 4.38Å
848T79.5Confident79.9Confident60 Ų6070 Ų7037%0.36836%0.36SS..Hα-helixtrans-67.9-41178.5-55.50000111.3Q844 N845 D846 L852 P945Q844-T848 WeakPolarHBondContact O-CB 3.3Å; Q844-T848 PolarHBondContact O-N 3.3Å; Q844-T848 VanDerWaalsContact O-N 3.13Å; Q844-T848 PolarHBondContact O-OG1 3.29Å; N845-T848 WeakPolarHBondContact O-CB 3.24Å; N845-T848 PolarHBondContact O-N 3.02Å; D846-T848 VanDerWaalsContact C-N 3.25Å; D846-T848 PolarHBondContact O-N 2.96Å; T848-L852 PolarHBondContact O-N 2.95Å; T848-P945 HydrophobicContact CG2-CG 4.14Å
849E82.4Confident80.3Confident104 Ų10469.8 Ų69.849%0.48636%0.356SS..Hα-helixtrans-65.8-43.6175.4-165.3-178.2159.200111.6N845 D846 A851 L852 R853N845-E849 PolarHBondContact O-N 3Å; D846-E849 PolarHBondContact O-N 3.24Å; E849-A851 PolarHBondContact O-N 3.33Å; E849-L852 PolarHBondContact O-N 2.92Å; E849-R853 PolarHBondContact O-N 2.78Å; E849-R853 IonicContact OE1-CZ 3.51Å; E849-R853 IonicContact OE1-NE 3.09Å; E849-R853 IonicContact OE1-NH2 3.92Å; E849-R853 PolarHBondContact OE1-NH2 3.22Å
850R87Confident80.8Confident42 Ų4265 Ų6516%0.15834%0.338CS..Hα-helixtrans-57.7-50.1175.8179.5178.7171.5172.74.4112.1D846 L852 R853 E854 F941 L950 Y998D846-R850 PolarHBondContact O-N 3.29Å; R850-L852 PolarHBondContact O-N 3.46Å; R850-R853 PolarHBondContact O-N 3.17Å; R850-E854 IonicContact CZ-OE1 3.18Å; R850-E854 IonicContact NE-OE1 3.64Å; R850-E854 PolarHBondContact NE-OE1 2.97Å; R850-E854 IonicContact NH2-OE1 3.01Å; R850-E854 PolarHBondContact NH2-OE1 3.03Å; R850-E854 PolarHBondContact O-N 2.94Å; R850-E854 VanDerWaalsContact O-N 3.07Å; R850-F941 HydrophobicContact CB-CZ 4.29Å; R850-F941 HydrophobicContact CG-CE1 4.12Å; R850-F941 HydrophobicContact CG-CZ 4.13Å; R850-L950 VanDerWaalsContact CZ-CD1 3.5Å; R850-Y998 VanDerWaalsContact NH2-CE1 3.3Å; R850-Y998 VanDerWaalsContact NH2-CZ 3.29Å; R850-Y998 PolarHBondContact NH2-OH 3.01Å
851A84.2Confident81.4Confident4 Ų462.8 Ų62.83%0.03332%0.323CS..Hα-helixtrans-57.9-36.6179.300000112.9L847 E849 R855 F941 P945L847-A851 WeakPolarHBondContact O-CB 3.47Å; L847-A851 PolarHBondContact O-N 2.85Å; E849-A851 PolarHBondContact O-N 3.33Å; A851-R855 WeakPolarHBondContact O-CB 3.25Å; A851-R855 PolarHBondContact O-N 2.82Å; A851-F941 HydrophobicContact CB-CD1 4.35Å; A851-F941 HydrophobicContact CB-CE1 3.87Å; A851-F941 HydrophobicContact CB-CZ 3.97Å; A851-P945 HydrophobicContact CB-CB 3.89Å; A851-P945 HydrophobicContact CB-CG 4.45Å
852L80.5Confident81.9Confident100 Ų10063.1 Ų63.152%0.52432%0.322SS..Hα-helixtrans-68.3-42.8179-167.5150.2000111.7T848 E849 R850 R855 Q856T848-L852 PolarHBondContact O-N 2.95Å; E849-L852 PolarHBondContact O-N 2.92Å; R850-L852 PolarHBondContact O-N 3.46Å; L852-R855 PolarHBondContact O-N 2.98Å; L852-Q856 WeakPolarHBondContact O-CG 3.36Å; L852-Q856 PolarHBondContact O-N 2.88Å
853R80.9Confident82.4Confident130 Ų13062.6 Ų62.649%0.49131%0.31SS..Hα-helixtrans-66-45.6177.5-67.3-172-172.1-161.56.1112.4E849 R850 R855 Q856 M857E849-R853 PolarHBondContact O-N 2.78Å; E849-R853 IonicContact OE1-CZ 3.51Å; E849-R853 IonicContact OE1-NE 3.09Å; E849-R853 IonicContact OE1-NH2 3.92Å; E849-R853 PolarHBondContact OE1-NH2 3.22Å; R850-R853 PolarHBondContact O-N 3.17Å; R853-R855 VanDerWaalsContact C-N 3.28Å; R853-R855 PolarHBondContact O-N 3Å; R853-Q856 PolarHBondContact O-N 2.88Å; R853-Q856 VanDerWaalsContact O-N 3.13Å; R853-M857 WeakPolarHBondContact O-CG 2.98Å; R853-M857 PolarHBondContact O-N 2.99Å; R853-M857 VanDerWaalsContact O-N 3.1Å
854E87Confident82.7Confident14 Ų1461.8 Ų61.87%0.06531%0.308CS..Hα-helixtrans-61.7-38.3178.8-71.1-175.2-161.300111.8R850 Q856 M857 L858 W938 T942 Y998R850-E854 IonicContact CZ-OE1 3.18Å; R850-E854 IonicContact NE-OE1 3.64Å; R850-E854 PolarHBondContact NE-OE1 2.97Å; R850-E854 IonicContact NH2-OE1 3.01Å; R850-E854 PolarHBondContact NH2-OE1 3.03Å; R850-E854 PolarHBondContact O-N 2.94Å; R850-E854 VanDerWaalsContact O-N 3.07Å; E854-Q856 VanDerWaalsContact C-N 3.3Å; E854-Q856 PolarHBondContact O-N 3.2Å; E854-M857 PolarHBondContact O-N 2.66Å; E854-L858 PolarHBondContact O-N 2.87Å; E854-L858 VanDerWaalsContact O-N 3.08Å; E854-W938 HydrophobicContact CB-CZ2 3.96Å; E854-W938 PolarHBondContact OE2-NE1 2.99Å; E854-T942 HydrophobicContact CB-CG2 4.49Å; E854-Y998 PolarHBondContact OE1-OH 3.33Å; E854-Y998 PolarHBondContact OE2-OH 3.04Å
855R84.7Confident82.8Confident134 Ų13459.5 Ų59.551%0.50630%0.297SS..Hα-helixtrans-63.9-32.7176-176169.1-173169.6-3.2113.3A851 L852 R853 F862 T942A851-R855 WeakPolarHBondContact O-CB 3.25Å; A851-R855 PolarHBondContact O-N 2.82Å; L852-R855 PolarHBondContact O-N 2.98Å; R853-R855 VanDerWaalsContact C-N 3.28Å; R853-R855 PolarHBondContact O-N 3Å; R855-F862 HydrophobicContact CG-CE2 3.84Å; R855-F862 HydrophobicContact CG-CZ 3.94Å; R855-T942 HydrophobicContact CB-CG2 4.5Å
856Q80.3Confident82.7Confident138 Ų13857.7 Ų57.765%0.64529%0.29SS*.Hα-helixtrans-75.9-38.7177.5-72.7175.6-15.800112.4L852 R853 E854L852-Q856 WeakPolarHBondContact O-CG 3.36Å; L852-Q856 PolarHBondContact O-N 2.88Å; R853-Q856 PolarHBondContact O-N 2.88Å; R853-Q856 VanDerWaalsContact O-N 3.13Å; E854-Q856 VanDerWaalsContact C-N 3.3Å; E854-Q856 PolarHBondContact O-N 3.2Å
857M78.4Confident82.5Confident75 Ų7559.7 Ų59.737%0.36930%0.298SS..Hα-helixtrans-79-30.3-176-68.8-67-7300113.7R853 E854 P859 Y989R853-M857 WeakPolarHBondContact O-CG 2.98Å; R853-M857 PolarHBondContact O-N 2.99Å; R853-M857 VanDerWaalsContact O-N 3.1Å; E854-M857 PolarHBondContact O-N 2.66Å; M857-P859 VanDerWaalsContact O-CD 3.29Å; M857-P859 WeakPolarHBondContact O-CD 3.23Å; M857-Y989 WeakPolarHBondContact CE-OH 3.44Å
858L87.5Confident82.2Confident4 Ų459.8 Ų59.82%0.02130%0.298CS..  trans-120.953-172.6-64.3167.9000113.1E854 G860 L861 W938 E990 V993 L994E854-L858 PolarHBondContact O-N 2.87Å; E854-L858 VanDerWaalsContact O-N 3.08Å; L858-G860 PolarHBondContact O-N 3.17Å; L858-L861 HydrophobicContact CB-CD1 3.71Å; L858-L861 HydrophobicContact CB-CG 3.98Å; L858-L861 HydrophobicContact CD1-CD1 3.76Å; L858-L861 HydrophobicContact CD2-CD1 4.21Å; L858-L861 HydrophobicContact CG-CD1 4.11Å; L858-L861 PolarHBondContact O-N 2.86Å; L858-W938 HydrophobicContact CB-CH2 4.07Å; L858-W938 HydrophobicContact CB-CZ2 3.97Å; L858-W938 HydrophobicContact CD1-CZ2 4.1Å; L858-E990 HydrophobicContact CD2-CB 4.09Å; L858-E990 HydrophobicContact CD2-CG 4Å; L858-V993 HydrophobicContact CD1-CG1 3.95Å; L858-V993 HydrophobicContact CD2-CB 4.03Å; L858-V993 HydrophobicContact CD2-CG1 3.94Å; L858-V993 HydrophobicContact CG-CG1 4.01Å; L858-L994 HydrophobicContact CD1-CD2 3.6Å; L858-L994 HydrophobicContact CD1-CG 3.91Å
859P80.7Confident82Confident84 Ų8458.3 Ų58.355%0.54529%0.287SS..G310 helixtrans-64.7-29.2-177.428-34.7000112.3M857 L861 F862M857-P859 VanDerWaalsContact O-CD 3.29Å; M857-P859 WeakPolarHBondContact O-CD 3.23Å; P859-L861 PolarHBondContact O-N 3.22Å; P859-F862 PolarHBondContact O-N 3.2Å
860G83.2Confident81.5Confident17 Ų1761.3 Ų61.318%0.17529%0.294CS..G310 helixtrans-62.4-23.9178.500000114.2L858 F862 L863 R868 Y984L858-G860 PolarHBondContact O-N 3.17Å; G860-F862 PolarHBondContact O-N 2.84Å; G860-L863 WeakPolarHBondContact O-CB 3.11Å; G860-L863 WeakPolarHBondContact O-CG 3.49Å; G860-L863 PolarHBondContact O-N 2.98Å; G860-R868 PolarHBondContact O-NH1 3.3Å; G860-Y984 PolarHBondContact O-OH 2.67Å
861L87.1Confident80.6Confident0 Ų063.9 Ų63.90%031%0.31CS..G310 helixtrans-74.7-6.5179.1-61.7-174.9000113.6L858 P859 I935 W938 R939 Y984 L986 L994L858-L861 HydrophobicContact CB-CD1 3.71Å; L858-L861 HydrophobicContact CB-CG 3.98Å; L858-L861 HydrophobicContact CD1-CD1 3.76Å; L858-L861 HydrophobicContact CD2-CD1 4.21Å; L858-L861 HydrophobicContact CG-CD1 4.11Å; L858-L861 PolarHBondContact O-N 2.86Å; P859-L861 PolarHBondContact O-N 3.22Å; L861-I935 HydrophobicContact CD1-CD1 4.24Å; L861-I935 HydrophobicContact CD2-CD1 3.98Å; L861-I935 HydrophobicContact CG-CD1 4.5Å; L861-W938 HydrophobicContact CB-CE3 4.29Å; L861-W938 HydrophobicContact CB-CH2 4.23Å; L861-W938 HydrophobicContact CB-CZ3 3.84Å; L861-W938 HydrophobicContact CD1-CD2 4.44Å; L861-W938 HydrophobicContact CD1-CE3 4.44Å; L861-W938 HydrophobicContact CD1-CH2 4.36Å; L861-W938 HydrophobicContact CD1-CZ2 4.37Å; L861-W938 HydrophobicContact CD1-CZ3 4.4Å; L861-R939 VanDerWaalsContact O-CZ 3.22Å; L861-R939 PolarHBondContact O-NE 3.32Å; L861-R939 PolarHBondContact O-NH2 3.2Å; L861-Y984 HydrophobicContact CD2-CD1 4.34Å; L861-Y984 HydrophobicContact CD2-CE1 3.69Å; L861-Y984 PolarHBondContact O-OH 3.05Å; L861-L986 HydrophobicContact CD2-CD2 3.32Å; L861-L994 HydrophobicContact CD1-CD1 3.85Å; L861-L994 HydrophobicContact CD1-CD2 4.36Å; L861-L994 HydrophobicContact CD1-CG 4.35Å
862F85.8Confident79.8Confident61 Ų6164.9 Ų64.927%0.26832%0.315SS..G310 helixtrans-85-14.1170.7-69.6-78.7000113.1R855 P859 G860 W938 R939R855-F862 HydrophobicContact CG-CE2 3.84Å; R855-F862 HydrophobicContact CG-CZ 3.94Å; P859-F862 PolarHBondContact O-N 3.2Å; G860-F862 PolarHBondContact O-N 2.84Å; F862-W938 HydrophobicContact CD2-CH2 4.48Å; F862-W938 HydrophobicContact CD2-CZ3 4.29Å; F862-W938 HydrophobicContact CE1-CZ3 4.15Å; F862-W938 AromaticContact CE2-CH2 3.69Å; F862-W938 HydrophobicContact CE2-CH2 3.69Å; F862-W938 AromaticContact CE2-CZ3 3.69Å; F862-W938 HydrophobicContact CE2-CZ3 3.69Å; F862-W938 AromaticContact CZ-CH2 3.89Å; F862-W938 HydrophobicContact CZ-CH2 3.89Å; F862-W938 AromaticContact CZ-CZ3 3.61Å; F862-W938 HydrophobicContact CZ-CZ3 3.61Å; F862-R939 VanDerWaalsContact C-NH2 3.31Å; F862-R939 HydrophobicContact CD1-CG 4.31Å; F862-R939 HydrophobicContact CE1-CG 4.26Å; F862-R939 PolarHBondContact O-NH2 3.32Å
863L85.2Confident78.8Confident51 Ų5165.3 Ų65.327%0.26732%0.318SS..SBendtrans-69147-179.9-62.2175000111.7G860 Q867 R868 L871 R939 Y984G860-L863 WeakPolarHBondContact O-CB 3.11Å; G860-L863 WeakPolarHBondContact O-CG 3.49Å; G860-L863 PolarHBondContact O-N 2.98Å; L863-Q867 HydrophobicContact CB-CB 4.3Å; L863-Q867 HydrophobicContact CD2-CB 4.4Å; L863-R868 HydrophobicContact CB-CB 4.43Å; L863-L871 HydrophobicContact CD1-CD2 4.31Å; L863-R939 PolarHBondContact O-NH2 2.94Å; L863-Y984 PolarHBondContact O-OH 3.45Å
864S81.2Confident77.3Confident51 Ų5162.7 Ų62.736%0.35732%0.32SS..  trans-68.6155.8168.762.70000111.2V866 Q867 R868S864-V866 PolarHBondContact O-N 3.39Å; S864-V866 VanDerWaalsContact O-N 3.15Å; S864-Q867 VanDerWaalsContact N-OE1 3.09Å; S864-Q867 PolarHBondContact O-N 2.99Å; S864-Q867 VanDerWaalsContact O-N 3.16Å; S864-Q867 WeakPolarHBondContact OG-CB 3.35Å; S864-Q867 VanDerWaalsContact OG-CD 3.31Å; S864-Q867 VanDerWaalsContact OG-CG 3.31Å; S864-Q867 WeakPolarHBondContact OG-CG 3.44Å; S864-Q867 PolarHBondContact OG-N 3.21Å; S864-Q867 PolarHBondContact OG-OE1 2.89Å; S864-R868 WeakPolarHBondContact O-CB 3.38Å; S864-R868 PolarHBondContact O-N 3.09Å
865N79.9Confident75.2Confident9 Ų967.5 Ų67.55%0.04835%0.35CS..Hα-helixtrans-53.9-36.3176.5-80.52.2000112.5R868 M869 M932 I978 L983 Y984N865-R868 PolarHBondContact O-N 3.22Å; N865-M869 WeakPolarHBondContact O-CB 3.44Å; N865-M869 VanDerWaalsContact O-CG 3.27Å; N865-M869 WeakPolarHBondContact O-CG 3.39Å; N865-M869 PolarHBondContact O-N 2.95Å; N865-M932 WeakPolarHBondContact ND2-CE 3.5Å; N865-I978 HydrophobicContact CB-CG2 3.84Å; N865-I978 PolarHBondContact ND2-O 2.8Å; N865-L983 PolarHBondContact ND2-O 3.35Å; N865-Y984 WeakPolarHBondContact OD1-CD2 3.26Å; N865-Y984 WeakPolarHBondContact OD1-CE2 3.4Å
866V76Confident72.8Confident76 Ų7665.3 Ų65.346%0.46136%0.356SS..Hα-helixtrans-66.8-50.9177.6178.60000111.9S864 R868 M869 R870S864-V866 PolarHBondContact O-N 3.39Å; S864-V866 VanDerWaalsContact O-N 3.15Å; V866-R868 PolarHBondContact O-N 2.97Å; V866-M869 PolarHBondContact O-N 2.69Å; V866-R870 WeakPolarHBondContact O-CG 3.38Å; V866-R870 PolarHBondContact O-N 3.13Å; V866-R870 VanDerWaalsContact O-N 3.09Å
867Q77Confident70.2Confident99 Ų9966.8 Ų66.846%0.46336%0.362SS..Hα-helixtrans-60.3-37.1176.8-73.7165.2-40.100111L863 S864 R870 L871L863-Q867 HydrophobicContact CB-CB 4.3Å; L863-Q867 HydrophobicContact CD2-CB 4.4Å; S864-Q867 VanDerWaalsContact N-OE1 3.09Å; S864-Q867 PolarHBondContact O-N 2.99Å; S864-Q867 VanDerWaalsContact O-N 3.16Å; S864-Q867 WeakPolarHBondContact OG-CB 3.35Å; S864-Q867 VanDerWaalsContact OG-CD 3.31Å; S864-Q867 VanDerWaalsContact OG-CG 3.31Å; S864-Q867 WeakPolarHBondContact OG-CG 3.44Å; S864-Q867 PolarHBondContact OG-N 3.21Å; S864-Q867 PolarHBondContact OG-OE1 2.89Å; Q867-R870 PolarHBondContact O-N 3.22Å; Q867-L871 PolarHBondContact O-N 3.14Å
868R78.2Confident67.7Low2 Ų269.4 Ų69.41%0.00838%0.383CS..Hα-helixtrans-69.2-46.8-178.8-168.6156.3178.783.611.5112.8G860 L863 S864 N865 V866 R870 L871 L872 Y984 P985 E990G860-R868 PolarHBondContact O-NH1 3.3Å; L863-R868 HydrophobicContact CB-CB 4.43Å; S864-R868 WeakPolarHBondContact O-CB 3.38Å; S864-R868 PolarHBondContact O-N 3.09Å; N865-R868 PolarHBondContact O-N 3.22Å; V866-R868 PolarHBondContact O-N 2.97Å; R868-R870 VanDerWaalsContact C-N 3.27Å; R868-R870 PolarHBondContact O-N 3.14Å; R868-L871 WeakPolarHBondContact O-CB 3.44Å; R868-L871 PolarHBondContact O-N 3.21Å; R868-L872 HydrophobicContact CG-CD1 4.16Å; R868-L872 VanDerWaalsContact O-CG 3.3Å; R868-L872 WeakPolarHBondContact O-CG 3.3Å; R868-L872 PolarHBondContact O-N 2.98Å; R868-Y984 WeakPolarHBondContact CD-OH 3.26Å; R868-P985 HydrophobicContact CG-CG 4.16Å; R868-P985 PolarHBondContact NE-O 3.36Å; R868-P985 PolarHBondContact NH2-O 3.42Å; R868-E990 IonicContact CZ-OE1 2.88Å; R868-E990 IonicContact CZ-OE2 3.45Å; R868-E990 IonicContact NH1-OE1 3.98Å; R868-E990 PolarHBondContact NH1-OE1 3.39Å; R868-E990 IonicContact NH1-OE2 2.68Å; R868-E990 IonicContact NH2-OE1 3.15Å; R868-E990 PolarHBondContact NH2-OE1 2.91Å; R868-E990 IonicContact NH2-OE2 3.62Å; R868-E990 PolarHBondContact NH2-OE2 3.35Å
869M74.8Confident64.8Low30 Ų3075.1 Ų75.115%0.14842%0.418CS..Hα-helixtrans-62.5-34.7173.9-70.2-54.7-63.700111.9N865 V866 L872 N873 W974 I978 P985N865-M869 WeakPolarHBondContact O-CB 3.44Å; N865-M869 VanDerWaalsContact O-CG 3.27Å; N865-M869 WeakPolarHBondContact O-CG 3.39Å; N865-M869 PolarHBondContact O-N 2.95Å; V866-M869 PolarHBondContact O-N 2.69Å; M869-L872 HydrophobicContact SD-CD1 4.32Å; M869-N873 VanDerWaalsContact O-CB 3.27Å; M869-N873 WeakPolarHBondContact O-CB 3.42Å; M869-N873 PolarHBondContact O-N 2.8Å; M869-N873 PolarHBondContact O-ND2 2.89Å; M869-N873 PolarHBondContact O-OD1 2.96Å; M869-W974 HydrophobicContact CE-CH2 4.17Å; M869-W974 HydrophobicContact CE-CZ3 3.88Å; M869-I978 HydrophobicContact CG-CG2 3.97Å; M869-I978 HydrophobicContact SD-CD1 4.02Å; M869-I978 HydrophobicContact SD-CG2 4.2Å; M869-P985 HydrophobicContact SD-CG 4.01Å
870R72.1Confident62.1Low167 Ų16778.4 Ų78.463%0.6343%0.431SS*.Hα-helixtrans-64.5-44.5172.7-71.7178-170.71642.1112.4V866 Q867 R868 N873 S874V866-R870 WeakPolarHBondContact O-CG 3.38Å; V866-R870 PolarHBondContact O-N 3.13Å; V866-R870 VanDerWaalsContact O-N 3.09Å; Q867-R870 PolarHBondContact O-N 3.22Å; R868-R870 VanDerWaalsContact C-N 3.27Å; R868-R870 PolarHBondContact O-N 3.14Å; R870-N873 PolarHBondContact O-N 2.92Å; R870-S874 WeakPolarHBondContact O-CB 3.44Å; R870-S874 PolarHBondContact O-N 3.09Å; R870-S874 PolarHBondContact O-OG 3.21Å
871L69Low59.3Low95 Ų9582.9 Ų82.950%0.49746%0.455SS..Hα-helixtrans-59.6-47.7177.3-170.283.9000110.9L863 Q867 R868 S874 T875L863-L871 HydrophobicContact CD1-CD2 4.31Å; Q867-L871 PolarHBondContact O-N 3.14Å; R868-L871 WeakPolarHBondContact O-CB 3.44Å; R868-L871 PolarHBondContact O-N 3.21Å; L871-S874 PolarHBondContact O-N 3.45Å; L871-S874 PolarHBondContact O-OG 3.03Å; L871-T875 PolarHBondContact O-OG1 3.39Å
872L66.2Low56.2Low26 Ų2689.2 Ų89.214%0.13649%0.493CS..Hα-helixtrans-66-36.4179.4-66.5167.9000112.6R868 M869 T875 L927 P985 T987R868-L872 HydrophobicContact CG-CD1 4.16Å; R868-L872 VanDerWaalsContact O-CG 3.3Å; R868-L872 WeakPolarHBondContact O-CG 3.3Å; R868-L872 PolarHBondContact O-N 2.98Å; M869-L872 HydrophobicContact SD-CD1 4.32Å; L872-T875 PolarHBondContact O-OG1 3.1Å; L872-L927 HydrophobicContact CD1-CD1 4.49Å; L872-L927 HydrophobicContact CD1-CD2 3.55Å; L872-L927 HydrophobicContact CD2-CD2 3.82Å; L872-L927 HydrophobicContact CG-CD2 4.2Å; L872-P985 HydrophobicContact CD1-CB 4.1Å; L872-P985 HydrophobicContact CD1-CG 4.07Å; L872-T987 HydrophobicContact CD2-CG2 3.73Å
873N59.6Low53.3Low109 Ų10992 Ų9258%0.58351%0.51SS*.Hα-helixtrans-75.6-30176.7-69.3-9.7000112.7M869 R870 T875 S876M869-N873 VanDerWaalsContact O-CB 3.27Å; M869-N873 WeakPolarHBondContact O-CB 3.42Å; M869-N873 PolarHBondContact O-N 2.8Å; M869-N873 PolarHBondContact O-ND2 2.89Å; M869-N873 PolarHBondContact O-OD1 2.96Å; R870-N873 PolarHBondContact O-N 2.92Å; N873-T875 VanDerWaalsContact C-N 3.28Å; N873-T875 PolarHBondContact O-N 3.32Å; N873-S876 PolarHBondContact O-N 3.03Å
874S50.2Low50.2Low75 Ų7599 Ų9952%0.52454%0.538SS..Hα-helixtrans-71.7-18.2-178.866.30000114.4R870 L871 S876R870-S874 WeakPolarHBondContact O-CB 3.44Å; R870-S874 PolarHBondContact O-N 3.09Å; R870-S874 PolarHBondContact O-OG 3.21Å; L871-S874 PolarHBondContact O-N 3.45Å; L871-S874 PolarHBondContact O-OG 3.03Å; S874-S876 VanDerWaalsContact C-N 3.34Å
875T41.3Very low47.6Very low114 Ų114102.9 Ų102.970%0.69955%0.553SS**THydrogen-bonded Turntrans-84.6-4.1179.314.20000113.6L871 L872 N873 Q877L871-T875 PolarHBondContact O-OG1 3.39Å; L872-T875 PolarHBondContact O-OG1 3.1Å; N873-T875 VanDerWaalsContact C-N 3.28Å; N873-T875 PolarHBondContact O-N 3.32Å; T875-Q877 PolarHBondContact O-N 3.26Å
876S34.5Very low44.8Very low89 Ų89112.3 Ų112.362%0.62259%0.594SS**  trans-89.370.7172.2-65.80000111.3N873 S874N873-S876 PolarHBondContact O-N 3.03Å; S874-S876 VanDerWaalsContact C-N 3.34Å
877Q27.1Very low42.3Very low168 Ų168116.8 Ų116.879%0.78561%0.61SS**  trans-94.4123.1165.4-77.9-179.4-18.500109.8T875T875-Q877 PolarHBondContact O-N 3.26Å
878T25.8Very low39.7Very low131 Ų131119.2 Ų119.280%0.80463%0.626SS**SBendtrans6184.2162.359.50000119.7
879V25.5Very low37.2Very low124 Ų124125.6 Ų125.675%0.75267%0.665SS**  trans-155.7112.5132.5-1760000109.1T881V879-T881 HydrophobicContact CG1-CG2 4.29Å; V879-T881 PolarHBondContact O-N 3.1Å; V879-T881 VanDerWaalsContact O-N 3.08Å
880N24.4Very low34.7Very low153 Ų153132.3 Ų132.382%0.81870%0.701SS**  trans-59.4105.2165.1-75.3-25.7000109.9
881T24.8Very low32.3Very low111 Ų111131.2 Ų131.268%0.68171%0.708SS**  trans-126.697.3164.227.20000109.8V879 I883V879-T881 HydrophobicContact CG1-CG2 4.29Å; V879-T881 PolarHBondContact O-N 3.1Å; V879-T881 VanDerWaalsContact O-N 3.08Å; T881-I883 PolarHBondContact O-N 3.46Å; T881-I883 VanDerWaalsContact O-N 3.1Å
882T21Very low30Very low132 Ų132135.6 Ų135.681%0.8172%0.723SS**  trans-61101.7164.1-43.20000108.3K884T882-K884 PolarHBondContact O-N 3.03Å; T882-K884 VanDerWaalsContact O-N 3.1Å
883I26Very low27.9Very low120 Ų120139.6 Ų139.662%0.61575%0.752SS**  trans-75.599.4-179.8-59.4174.9000108.6T881 I885T881-I883 PolarHBondContact O-N 3.46Å; T881-I883 VanDerWaalsContact O-N 3.1Å; I883-I885 HydrophobicContact CG2-CG1 3.81Å
884K19.3Very low25.9Very low198 Ų198144.1 Ų144.186%0.86177%0.766SS**  trans-84.9111.2163.2-81.7-176.2175.61780108.4T882T882-K884 PolarHBondContact O-N 3.03Å; T882-K884 VanDerWaalsContact O-N 3.1Å
885I26.3Very low24.4Very low132 Ų132147.4 Ų147.468%0.67777%0.771SS**  trans-85.6116.2179.3-55.7175000107.8I883I883-I885 HydrophobicContact CG2-CG1 3.81Å
886K20.7Very low23.4Very low207 Ų207150 Ų15090%0.978%0.781SS**  trans-113.8117.9168.3-135.5-176.6-177.5-171.10107.3
887E23.5Very low23Very low171 Ų171155.3 Ų155.380%0.79979%0.793SS**  trans-64.7132.4172.5-69.3170.4145.600109.4
888D23.4Very low22.7Very low149 Ų149156.9 Ų156.980%0.79780%0.8SS**  trans169.9145.1133.2-87.3-27.1000112.4
889T25.3Very low22.5Very low136 Ų136153.9 Ų153.983%0.83480%0.795SS**  trans83.885.1162.7650000119.9
890L21.9Very low22.2Very low172 Ų172154 Ų15490%0.90180%0.796SS**  trans-76.7119.1143.1-100.496.3000109.1
891N23Very low22Very low144 Ų144153 Ų15377%0.7779%0.791SS**  trans-162.7119.8154.2-102.9-32.2000113.1
892K21.1Very low21.8Very low186 Ų186154 Ų15481%0.80979%0.792SS**  trans60.7131.2138.8-76.6-179.1178.41760122
893C20.5Very low21.8Very low110 Ų110152.4 Ų152.474%0.74379%0.787SS**  trans110.8105.5134-760000120.2
894K18.9Very low21.6Very low204 Ų204156.1 Ų156.189%0.88780%0.798SS**  49.5117.1121.2-71.3-172.9174.9-175.60120.9
895F19Very low21.7Very low145 Ų145151.7 Ų151.764%0.63679%0.792SS**  trans-70.7151163-78.1-99000114.1D1031F895-D1031 HydrophobicContact CE1-CB 4.46Å
896N19.4Very low21.4Very low167 Ų167153.9 Ų153.989%0.89380%0.799SS**  trans-139.6139.7154.8-98.3-12.4000109.8
897F26.9Very low21.5Very low201 Ų201150.4 Ų150.488%0.88279%0.791SS**  trans-78.4156.5-179.7-89.7-102.8000113.2
898E20.6Very low21.4Very low201 Ų201149.2 Ų149.294%0.93979%0.789SS**  trans-173.8113145.2-103162.6-15600108.9
899G21.3Very low21.3Very low68 Ų68149.9 Ų149.970%0.70179%0.793SS**  99.897.895.700000111
900V19.3Very low21.1Very low127 Ų127147.1 Ų147.177%0.7779%0.791SS**  60.3101.976.3-1780000114.2
901N20.4Very low21.2Very low133 Ų133148.1 Ų148.171%0.71179%0.791SS**  150.3133.5122.6-89.1-28.8000117.8
902N20.8Very low21.2Very low130 Ų130145.9 Ų145.970%0.69579%0.787SS**  trans70.4112.3130.5-67.2-20.2000124.3
903S21Very low21.3Very low100 Ų100142.9 Ų142.970%0.69978%0.784SS**  86.1132.111379.40000122.7
904K20.2Very low21.7Very low198 Ų198144.9 Ų144.986%0.86179%0.787SS**  trans97.9139.1145.8-73.7-177.9177.6179.60121.9
905S21.5Very low22.1Very low104 Ų104139.7 Ų139.773%0.72778%0.783SS**  trans90.1117.8147.765.20000122.5
906E21.1Very low22.6Very low178 Ų178140.2 Ų140.283%0.83279%0.792SS**  61.1125.4124.6-63.1-177169.100122.8
907N22.7Very low23.2Very low135 Ų135141.1 Ų141.172%0.72279%0.788SS**  trans47.8115.8139.1-73.5-25.6000122.1
908L21.4Very low23.2Very low145 Ų145140.5 Ų140.576%0.75979%0.788SS**  50124.5117.9-68.5162.5000120.6
909N21Very low23.6Very low164 Ų164138 Ų13888%0.87778%0.78SS**  trans74.1102.9154.5-67.2-17.4000118.6
910G21.8Very low24.1Very low78 Ų78141.5 Ų141.580%0.80478%0.783SS**  trans171.3119.9159.900000112.3
911H23.2Very low24.7Very low193 Ų193142.9 Ų142.989%0.89479%0.786SS**  trans-51.4144.9178-81.4-82.9000116.1
912S22.1Very low25.6Very low97 Ų97141.8 Ų141.868%0.67878%0.784SS**  trans20.9122.6132.31740000118.5
913T23.6Very low26.4Very low123 Ų123140.7 Ų140.776%0.75578%0.778SS**  -171.3137.2107.624.70000111.4
914D29.8Very low27.4Very low151 Ų151142.3 Ų142.381%0.80778%0.784SS**SBendtrans76.744.9154.7-60.8-16.5000122.8
915A27.4Very low28.9Very low96 Ų96138.3 Ų138.379%0.79377%0.772SS**  trans-113.64.1152.800000114.1K917A915-K917 PolarHBondContact O-N 3.35Å; A915-K917 VanDerWaalsContact O-N 3.11Å
916N29.5Very low30.5Very low155 Ų155134.4 Ų134.483%0.82974%0.743SS**THydrogen-bonded Turntrans-81.934175.8-83.6-19.6000113.8
917K30.7Very low32.8Very low186 Ų186127.8 Ų127.881%0.80971%0.714SS**THydrogen-bonded Turntrans-121.3-2.3176-86.7-172.9177.71760117.1A915A915-K917 PolarHBondContact O-N 3.35Å; A915-K917 VanDerWaalsContact O-N 3.11Å
918E27.8Very low35.3Very low188 Ų188121.7 Ų121.788%0.87968%0.68SS**SBendtrans-117.6-2.2176.7-72.3-164.2159.100116.7
919L29.5Very low38Very low149 Ų149116 Ų11678%0.7865%0.651SS**SBendtrans-92.111.2172.4-152.171.2000114.3
920N30.8Very low40.9Very low142 Ų142108.2 Ų108.276%0.75961%0.609SS**SBendtrans-100.320.6-177.5-87.1-12.7000114.9
921N32.8Very low43.8Very low156 Ų156105.2 Ų105.283%0.83458%0.576SS**  trans-132.320.3175.9-105.92000115.7N923N921-N923 PolarHBondContact O-N 3.21Å
922V39.6Very low46.8Very low109 Ų10997 Ų9766%0.66154%0.537SS*.SBendtrans-79.9107166.5-176.20000108T924V922-T924 PolarHBondContact O-N 3.03Å
923N36.2Very low49.8Very low107 Ų10794.4 Ų94.457%0.57253%0.526SS*.  trans-50.4101.2174.9-91.1-13.5000110.8N921 N925N921-N923 PolarHBondContact O-N 3.21Å; N923-N925 PolarHBondContact O-N 3.43Å; N923-N925 VanDerWaalsContact O-N 3.07Å
924T43.8Very low52.9Low134 Ų13489.1 Ų89.182%0.82249%0.493SS*.THydrogen-bonded Turntrans-72.19176.144.60000113.7V922V922-T924 PolarHBondContact O-N 3.03Å
925N50.2Low55.7Low115 Ų11581.9 Ų81.962%0.61545%0.454SS*.THydrogen-bonded Turntrans-94.912.3-173.6-72.8-14000114.6N923N923-N925 PolarHBondContact O-N 3.43Å; N923-N925 VanDerWaalsContact O-N 3.07Å
926V55.6Low58.6Low21 Ų2181.1 Ų81.113%0.12744%0.436CS..PPolyproline II helixtrans-95.3125.2-178.3-174.90000111.4Y928 R1037V926-Y928 HydrophobicContact CG1-CE2 4.25Å; V926-R1037 HydrophobicContact CG1-CB 4.04Å; V926-R1037 HydrophobicContact CG1-CG 4.05Å
927L68.9Low61.2Low40 Ų4078 Ų7821%0.20942%0.417CS..PPolyproline II helixtrans-104131.9174.1-69.7169.5000111L872 P985L872-L927 HydrophobicContact CD1-CD1 4.49Å; L872-L927 HydrophobicContact CD1-CD2 3.55Å; L872-L927 HydrophobicContact CD2-CD2 3.82Å; L872-L927 HydrophobicContact CG-CD2 4.2Å; L927-P985 HydrophobicContact CD2-CB 4.38Å
928Y76.3Confident64.1Low6 Ų669.2 Ų69.22%0.02438%0.378CS..EExtended strand (participates in β ladder)trans-96.4136.4173.5-64.3-96.7000109.7V926 P985 L986 F988 W991 W1036V926-Y928 HydrophobicContact CG1-CE2 4.25Å; Y928-P985 CarbonylContact O-C 3.57Å; Y928-P985 WeakPolarHBondContact O-CA 3.3Å; Y928-L986 PolarHBondContact N-O 3.32Å; Y928-L986 PolarHBondContact O-N 3.45Å; Y928-F988 HydrophobicContact CE2-CB 4.22Å; Y928-F988 AromaticContact CE2-CD2 3.92Å; Y928-F988 HydrophobicContact CE2-CD2 3.92Å; Y928-W991 HydrophobicContact CD1-CB 4.26Å; Y928-W991 AromaticContact CD1-CD1 3.74Å; Y928-W991 AromaticContact CD1-CD2 3.72Å; Y928-W991 HydrophobicContact CD1-CD2 3.72Å; Y928-W991 AromaticContact CD1-CE2 3.91Å; Y928-W991 HydrophobicContact CD1-CE3 4.38Å; Y928-W991 AromaticContact CD1-CG 3.61Å; Y928-W991 HydrophobicContact CD1-CG 3.61Å; Y928-W991 AromaticContact CD1-NE1 3.9Å; Y928-W991 HydrophobicContact CD2-CB 3.79Å; Y928-W991 HydrophobicContact CD2-CG 4Å; Y928-W991 AromaticContact CE1-CD1 3.63Å; Y928-W991 HydrophobicContact CE1-CD2 4.34Å; Y928-W991 AromaticContact CE1-CG 3.99Å; Y928-W991 HydrophobicContact CE1-CG 3.99Å; Y928-W991 AromaticContact CE1-NE1 3.75Å; Y928-W991 HydrophobicContact CE2-CB 4.35Å; Y928-W991 HydrophobicContact CE2-CG 4.37Å; Y928-W991 HydrophobicContact CG-CB 3.76Å; Y928-W991 AromaticContact CG-CD2 4Å; Y928-W991 HydrophobicContact CG-CD2 4Å; Y928-W991 HydrophobicContact CG-CE3 4.5Å; Y928-W991 AromaticContact CG-CG 3.63Å; Y928-W991 HydrophobicContact CG-CG 3.63Å; Y928-W991 AromaticContact CZ-CD1 3.9Å; Y928-W1036 HydrophobicContact CD1-CB 4.39Å
929L76.8Confident67.1Low27 Ų2762.8 Ų62.814%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-111.9126-178.4-62.9174000110.9G957 W974 I978 L983 P985 L1038L929-G957 WeakPolarHBondContact O-CA 3.44Å; L929-G957 PolarHBondContact O-N 3.33Å; L929-W974 HydrophobicContact CD1-CB 4.27Å; L929-I978 HydrophobicContact CD2-CD1 3.86Å; L929-I978 HydrophobicContact CD2-CG1 4.28Å; L929-L983 HydrophobicContact CB-CD1 4.39Å; L929-L983 HydrophobicContact CD1-CD1 4.07Å; L929-P985 HydrophobicContact CD2-CB 4.12Å; L929-L1038 HydrophobicContact CD1-CD1 3.73Å; L929-L1038 HydrophobicContact CG-CD1 4.46Å
930I81.9Confident69.8Low0 Ų061.1 Ų61.10%033%0.332CS..EExtended strand (participates in β ladder)trans-122.8159.9175.860.9159.6000111.5M932 F934 I935 L954 L983 Y984 L986 W991 L994I930-M932 PolarHBondContact O-N 3.31Å; I930-F934 HydrophobicContact CD1-CD1 3.82Å; I930-F934 HydrophobicContact CD1-CE1 4.45Å; I930-I935 HydrophobicContact CD1-CD1 3.6Å; I930-I935 HydrophobicContact CD1-CG1 3.79Å; I930-I935 HydrophobicContact CG1-CG1 4.48Å; I930-L954 HydrophobicContact CD1-CD1 4.15Å; I930-L954 HydrophobicContact CG2-CD1 4.14Å; I930-L983 WeakPolarHBondContact O-CA 3.13Å; I930-Y984 PolarHBondContact N-O 3.48Å; I930-Y984 PolarHBondContact O-N 2.88Å; I930-L986 HydrophobicContact CB-CD1 4.45Å; I930-L986 HydrophobicContact CD1-CD1 3.71Å; I930-L986 HydrophobicContact CD1-CD2 4.29Å; I930-L986 HydrophobicContact CD1-CG 4.16Å; I930-L986 HydrophobicContact CG1-CD1 3.84Å; I930-L986 HydrophobicContact CG1-CG 4.04Å; I930-L986 HydrophobicContact CG2-CD1 3.76Å; I930-W991 HydrophobicContact CG2-CE3 4.16Å; I930-W991 HydrophobicContact CG2-CZ3 3.81Å; I930-L994 HydrophobicContact CD1-CD1 4.37Å
931P83.8Confident72.6Confident15 Ų1554.4 Ų54.410%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-61.8134.3176.5-20.131.3000111.4G933 F934 L955 S956 S960P931-G933 PolarHBondContact O-N 3.38Å; P931-F934 WeakPolarHBondContact O-CB 2.93Å; P931-F934 PolarHBondContact O-N 2.82Å; P931-F934 VanDerWaalsContact O-N 3.14Å; P931-L955 WeakPolarHBondContact CD-O 3.14Å; P931-L955 HydrophobicContact CG-CB 4.13Å; P931-S956 WeakPolarHBondContact CG-O 3.37Å; P931-S960 WeakPolarHBondContact CA-OG 3.25Å; P931-S960 WeakPolarHBondContact CB-OG 3.37Å; P931-S960 VanDerWaalsContact CG-OG 3.24Å; P931-S960 WeakPolarHBondContact CG-OG 3.15Å
932M86.5Confident75.1Confident19 Ų1947.4 Ų47.49%0.09426%0.259CS..Hα-helixtrans-60.1-28.9172.8-178.764.598.100112N865 I930 F934 I935 I936 S981 T982 Y984N865-M932 WeakPolarHBondContact ND2-CE 3.5Å; I930-M932 PolarHBondContact O-N 3.31Å; M932-F934 VanDerWaalsContact C-N 3.26Å; M932-F934 PolarHBondContact O-N 3.27Å; M932-I935 PolarHBondContact O-N 3.01Å; M932-I935 VanDerWaalsContact O-N 3.1Å; M932-I935 HydrophobicContact SD-CB 4.11Å; M932-I935 HydrophobicContact SD-CG2 4.13Å; M932-I936 HydrophobicContact CG-CD1 3.94Å; M932-I936 HydrophobicContact CG-CG1 4.2Å; M932-I936 WeakPolarHBondContact O-CG1 3.4Å; M932-I936 PolarHBondContact O-N 2.86Å; M932-S981 WeakPolarHBondContact CB-O 3.35Å; M932-S981 WeakPolarHBondContact CG-O 3.49Å; M932-T982 WeakPolarHBondContact CB-O 3.4Å; M932-T982 PolarHBondContact N-O 3.5Å; M932-Y984 HydrophobicContact CE-CD2 3.78Å; M932-Y984 HydrophobicContact CE-CE2 4.38Å; M932-Y984 HydrophobicContact SD-CD2 3.77Å; M932-Y984 HydrophobicContact SD-CE2 4.49Å
933G84.6Confident77.2Confident43 Ų4350.9 Ų50.944%0.44326%0.261SS..Hα-helixtrans-53.8-41.3175.200000113.1P931 I936 Q937P931-G933 PolarHBondContact O-N 3.38Å; G933-I936 PolarHBondContact O-N 3.46Å; G933-Q937 PolarHBondContact O-N 3.3Å
934F88.7Confident79.3Confident12 Ų1250 Ų505%0.05326%0.256CS..Hα-helixtrans-62.5-48.3175.2177.8-89.7000111.2I930 P931 M932 I936 Q937 W938 P951 S953 L954 L994 Y998I930-F934 HydrophobicContact CD1-CD1 3.82Å; I930-F934 HydrophobicContact CD1-CE1 4.45Å; P931-F934 WeakPolarHBondContact O-CB 2.93Å; P931-F934 PolarHBondContact O-N 2.82Å; P931-F934 VanDerWaalsContact O-N 3.14Å; M932-F934 VanDerWaalsContact C-N 3.26Å; M932-F934 PolarHBondContact O-N 3.27Å; F934-I936 VanDerWaalsContact C-N 3.27Å; F934-I936 PolarHBondContact O-N 3.35Å; F934-Q937 PolarHBondContact O-N 3.32Å; F934-Q937 VanDerWaalsContact O-N 3.13Å; F934-W938 HydrophobicContact CE1-CB 4.31Å; F934-W938 WeakPolarHBondContact O-CB 3.31Å; F934-W938 PolarHBondContact O-N 3.31Å; F934-P951 HydrophobicContact CD2-CB 3.97Å; F934-P951 HydrophobicContact CE2-CB 3.5Å; F934-P951 HydrophobicContact CE2-CG 4.33Å; F934-P951 HydrophobicContact CZ-CB 4.13Å; F934-S953 WeakPolarHBondContact CD2-O 3.47Å; F934-S953 WeakPolarHBondContact CE2-O 3.37Å; F934-L954 HydrophobicContact CD1-CD1 3.84Å; F934-L954 HydrophobicContact CD2-CD1 4.24Å; F934-L954 HydrophobicContact CE1-CD1 3.58Å; F934-L954 HydrophobicContact CE2-CB 4.32Å; F934-L954 HydrophobicContact CE2-CD1 3.99Å; F934-L954 HydrophobicContact CG-CD1 4.17Å; F934-L954 HydrophobicContact CZ-CD1 3.66Å; F934-L994 HydrophobicContact CE1-CD1 4.16Å; F934-L994 HydrophobicContact CE1-CD2 4.05Å; F934-L994 HydrophobicContact CZ-CD2 4.27Å; F934-Y998 HydrophobicContact CE2-CD1 4.27Å; F934-Y998 HydrophobicContact CE2-CD2 4.35Å; F934-Y998 HydrophobicContact CE2-CG 4.17Å; F934-Y998 HydrophobicContact CZ-CD1 4.39Å; F934-Y998 AromaticContact CZ-CD2 3.7Å; F934-Y998 HydrophobicContact CZ-CD2 3.7Å; F934-Y998 AromaticContact CZ-CE2 3.84Å; F934-Y998 HydrophobicContact CZ-CE2 3.84Å; F934-Y998 AromaticContact CZ-CG 3.98Å; F934-Y998 HydrophobicContact CZ-CG 3.98Å
935I87.9Confident81.1Confident0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-60.1-38.2178.4-66.1-61.4000111.7L861 I930 M932 R939 Y984L861-I935 HydrophobicContact CD1-CD1 4.24Å; L861-I935 HydrophobicContact CD2-CD1 3.98Å; L861-I935 HydrophobicContact CG-CD1 4.5Å; I930-I935 HydrophobicContact CD1-CD1 3.6Å; I930-I935 HydrophobicContact CD1-CG1 3.79Å; I930-I935 HydrophobicContact CG1-CG1 4.48Å; M932-I935 PolarHBondContact O-N 3.01Å; M932-I935 VanDerWaalsContact O-N 3.1Å; M932-I935 HydrophobicContact SD-CB 4.11Å; M932-I935 HydrophobicContact SD-CG2 4.13Å; I935-R939 HydrophobicContact CG2-CG 4.4Å; I935-R939 WeakPolarHBondContact O-CB 3.34Å; I935-R939 WeakPolarHBondContact O-CG 3.45Å; I935-R939 PolarHBondContact O-N 3.17Å; I935-Y984 HydrophobicContact CD1-CD1 3.99Å; I935-Y984 HydrophobicContact CD1-CE1 4.27Å; I935-Y984 HydrophobicContact CD1-CG 4.39Å; I935-Y984 HydrophobicContact CG1-CD1 3.83Å; I935-Y984 HydrophobicContact CG1-CD2 4.2Å; I935-Y984 HydrophobicContact CG1-CE1 4.39Å; I935-Y984 HydrophobicContact CG1-CG 3.71Å; I935-Y984 HydrophobicContact CG2-CD2 4.33Å; I935-Y984 HydrophobicContact CG2-CE2 4.33Å
936I88Confident82.4Confident79 Ų7940.7 Ų40.741%0.40520%0.203SC..Hα-helixtrans-64.5-45.4176-67.9167.3000110.9M932 G933 F934 R939 K940M932-I936 HydrophobicContact CG-CD1 3.94Å; M932-I936 HydrophobicContact CG-CG1 4.2Å; M932-I936 WeakPolarHBondContact O-CG1 3.4Å; M932-I936 PolarHBondContact O-N 2.86Å; G933-I936 PolarHBondContact O-N 3.46Å; F934-I936 VanDerWaalsContact C-N 3.27Å; F934-I936 PolarHBondContact O-N 3.35Å; I936-R939 PolarHBondContact O-N 2.94Å; I936-K940 WeakPolarHBondContact O-CG 3.4Å; I936-K940 PolarHBondContact O-N 3.28Å
937Q85.1Confident83.2Confident91 Ų9142.5 Ų42.543%0.42522%0.221SC..Hα-helixtrans-64.4-45.8176.5-75.3-177.7-13.500111.6G933 F934 R939 K940 F941 P951G933-Q937 PolarHBondContact O-N 3.3Å; F934-Q937 PolarHBondContact O-N 3.32Å; F934-Q937 VanDerWaalsContact O-N 3.13Å; Q937-R939 VanDerWaalsContact C-N 3.32Å; Q937-R939 PolarHBondContact O-N 2.79Å; Q937-K940 WeakPolarHBondContact O-CA 3.21Å; Q937-K940 WeakPolarHBondContact O-CB 3.24Å; Q937-K940 PolarHBondContact O-N 3.44Å; Q937-F941 PolarHBondContact O-N 3.23Å; Q937-P951 HydrophobicContact CB-CG 4.35Å
938W90.5Very high83.5Confident0 Ų047.4 Ų47.40%025%0.247CC..Hα-helixtrans-58.1-42.5176.5-176.186.9000112.2E854 L858 L861 F862 F934 K940 F941 T942 P951E854-W938 HydrophobicContact CB-CZ2 3.96Å; E854-W938 PolarHBondContact OE2-NE1 2.99Å; L858-W938 HydrophobicContact CB-CH2 4.07Å; L858-W938 HydrophobicContact CB-CZ2 3.97Å; L858-W938 HydrophobicContact CD1-CZ2 4.1Å; L861-W938 HydrophobicContact CB-CE3 4.29Å; L861-W938 HydrophobicContact CB-CH2 4.23Å; L861-W938 HydrophobicContact CB-CZ3 3.84Å; L861-W938 HydrophobicContact CD1-CD2 4.44Å; L861-W938 HydrophobicContact CD1-CE3 4.44Å; L861-W938 HydrophobicContact CD1-CH2 4.36Å; L861-W938 HydrophobicContact CD1-CZ2 4.37Å; L861-W938 HydrophobicContact CD1-CZ3 4.4Å; F862-W938 HydrophobicContact CD2-CH2 4.48Å; F862-W938 HydrophobicContact CD2-CZ3 4.29Å; F862-W938 HydrophobicContact CE1-CZ3 4.15Å; F862-W938 AromaticContact CE2-CH2 3.69Å; F862-W938 HydrophobicContact CE2-CH2 3.69Å; F862-W938 AromaticContact CE2-CZ3 3.69Å; F862-W938 HydrophobicContact CE2-CZ3 3.69Å; F862-W938 AromaticContact CZ-CH2 3.89Å; F862-W938 HydrophobicContact CZ-CH2 3.89Å; F862-W938 AromaticContact CZ-CZ3 3.61Å; F862-W938 HydrophobicContact CZ-CZ3 3.61Å; F934-W938 HydrophobicContact CE1-CB 4.31Å; F934-W938 WeakPolarHBondContact O-CB 3.31Å; F934-W938 PolarHBondContact O-N 3.31Å; W938-K940 VanDerWaalsContact C-N 3.32Å; W938-K940 PolarHBondContact O-N 3.43Å; W938-F941 PolarHBondContact O-N 3.24Å; W938-T942 HydrophobicContact CD2-CG2 4.1Å; W938-T942 HydrophobicContact CE3-CG2 4.29Å; W938-T942 HydrophobicContact CH2-CG2 3.96Å; W938-T942 HydrophobicContact CZ2-CG2 3.72Å; W938-T942 HydrophobicContact CZ3-CG2 4.22Å; W938-T942 WeakPolarHBondContact O-CG2 3.07Å; W938-T942 PolarHBondContact O-N 3.17Å; W938-T942 PolarHBondContact O-OG1 3.2Å; W938-P951 HydrophobicContact CB-CG 3.98Å
939R91.6Very high83.7Confident54 Ų5448.9 Ų48.920%0.20426%0.255CS..Hα-helixtrans-65.2-31.1173.3-74.1172.7179.1-179.71113.1L861 F862 L863 I935 I936 Q937 T942 R943L861-R939 VanDerWaalsContact O-CZ 3.22Å; L861-R939 PolarHBondContact O-NE 3.32Å; L861-R939 PolarHBondContact O-NH2 3.2Å; F862-R939 VanDerWaalsContact C-NH2 3.31Å; F862-R939 HydrophobicContact CD1-CG 4.31Å; F862-R939 HydrophobicContact CE1-CG 4.26Å; F862-R939 PolarHBondContact O-NH2 3.32Å; L863-R939 PolarHBondContact O-NH2 2.94Å; I935-R939 HydrophobicContact CG2-CG 4.4Å; I935-R939 WeakPolarHBondContact O-CB 3.34Å; I935-R939 WeakPolarHBondContact O-CG 3.45Å; I935-R939 PolarHBondContact O-N 3.17Å; I936-R939 PolarHBondContact O-N 2.94Å; Q937-R939 VanDerWaalsContact C-N 3.32Å; Q937-R939 PolarHBondContact O-N 2.79Å; R939-T942 WeakPolarHBondContact CA-OG1 3.27Å; R939-T942 PolarHBondContact O-OG1 2.95Å; R939-R943 WeakPolarHBondContact O-CD 3.42Å; R939-R943 VanDerWaalsContact O-CG 3.26Å; R939-R943 WeakPolarHBondContact O-CG 3.46Å; R939-R943 PolarHBondContact O-N 2.87Å
940K86.9Confident83.9Confident114 Ų11449.1 Ų49.150%0.49626%0.256SS..Hα-helixtrans-70.9-45.5173.8-74.5174.5-179.5178.50110.9I936 Q937 W938 R943 N944I936-K940 WeakPolarHBondContact O-CG 3.4Å; I936-K940 PolarHBondContact O-N 3.28Å; Q937-K940 WeakPolarHBondContact O-CA 3.21Å; Q937-K940 WeakPolarHBondContact O-CB 3.24Å; Q937-K940 PolarHBondContact O-N 3.44Å; W938-K940 VanDerWaalsContact C-N 3.32Å; W938-K940 PolarHBondContact O-N 3.43Å; K940-R943 PolarHBondContact O-N 3.48Å; K940-N944 PolarHBondContact O-N 3.34Å
941F88.5Confident83.9Confident0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-57.3-51.6176.4176.6-117.3000112.1L847 R850 A851 Q937 W938 R943 N944 P945 N949 L950L847-F941 HydrophobicContact CB-CE2 4.29Å; L847-F941 HydrophobicContact CD2-CE2 4.04Å; L847-F941 HydrophobicContact CD2-CZ 4.31Å; R850-F941 HydrophobicContact CB-CZ 4.29Å; R850-F941 HydrophobicContact CG-CE1 4.12Å; R850-F941 HydrophobicContact CG-CZ 4.13Å; A851-F941 HydrophobicContact CB-CD1 4.35Å; A851-F941 HydrophobicContact CB-CE1 3.87Å; A851-F941 HydrophobicContact CB-CZ 3.97Å; Q937-F941 PolarHBondContact O-N 3.23Å; W938-F941 PolarHBondContact O-N 3.24Å; F941-R943 PolarHBondContact O-N 3.29Å; F941-R943 VanDerWaalsContact O-N 3.09Å; F941-N944 CarbonylContact O-C 3.48Å; F941-N944 PolarHBondContact O-N 2.87Å; F941-P945 HydrophobicContact CE2-CB 4.12Å; F941-P945 WeakPolarHBondContact O-CA 3.37Å; F941-P945 VanDerWaalsContact O-N 3.14Å; F941-N949 HydrophobicContact CB-CB 4.32Å; F941-N949 WeakPolarHBondContact CB-O 3.32Å; F941-L950 HydrophobicContact CD1-CD1 4.01Å; F941-L950 HydrophobicContact CD2-CB 4.08Å; F941-L950 HydrophobicContact CD2-CD1 3.92Å; F941-L950 HydrophobicContact CE1-CD1 3.71Å; F941-L950 HydrophobicContact CE2-CB 4.23Å; F941-L950 HydrophobicContact CE2-CD1 3.64Å; F941-L950 HydrophobicContact CG-CD1 4.12Å; F941-L950 HydrophobicContact CZ-CD1 3.53Å
942T86.1Confident83.4Confident9 Ų953.4 Ų53.46%0.05529%0.287CS..THydrogen-bonded Turntrans-64.8-15.2-179.351.80000114.4E854 R855 W938 R939E854-T942 HydrophobicContact CB-CG2 4.49Å; R855-T942 HydrophobicContact CB-CG2 4.5Å; W938-T942 HydrophobicContact CD2-CG2 4.1Å; W938-T942 HydrophobicContact CE3-CG2 4.29Å; W938-T942 HydrophobicContact CH2-CG2 3.96Å; W938-T942 HydrophobicContact CZ2-CG2 3.72Å; W938-T942 HydrophobicContact CZ3-CG2 4.22Å; W938-T942 WeakPolarHBondContact O-CG2 3.07Å; W938-T942 PolarHBondContact O-N 3.17Å; W938-T942 PolarHBondContact O-OG1 3.2Å; R939-T942 WeakPolarHBondContact CA-OG1 3.27Å; R939-T942 PolarHBondContact O-OG1 2.95Å
943R83.8Confident82.9Confident183 Ų18354.4 Ų54.469%0.69130%0.296SS*.THydrogen-bonded Turntrans-98.8-34.9174.6-71.7177179.2-172.4-0.8113.1R939 K940 F941R939-R943 WeakPolarHBondContact O-CD 3.42Å; R939-R943 VanDerWaalsContact O-CG 3.26Å; R939-R943 WeakPolarHBondContact O-CG 3.46Å; R939-R943 PolarHBondContact O-N 2.87Å; K940-R943 PolarHBondContact O-N 3.48Å; F941-R943 PolarHBondContact O-N 3.29Å; F941-R943 VanDerWaalsContact O-N 3.09Å
944N80.2Confident82.5Confident89 Ų8952.4 Ų52.448%0.47628%0.275SS..SBendtrans-138.185.6-179.7-177.331.5000109.4K940 F941 T946 N949K940-N944 PolarHBondContact O-N 3.34Å; F941-N944 CarbonylContact O-C 3.48Å; F941-N944 PolarHBondContact O-N 2.87Å; N944-T946 PolarHBondContact O-N 3.35Å; N944-N949 PolarHBondContact ND2-ND2 3.49Å; N944-N949 PolarHBondContact O-ND2 2.71Å
945P81.9Confident81.7Confident20 Ų2055.7 Ų55.713%0.1329%0.293CS..  trans-7099.9-17626.2-31.8000109.7Q844 L847 T848 A851 F941Q844-P945 PolarHBondContact NE2-O 2.85Å; Q844-P945 PolarHBondContact OE1-O 3.13Å; L847-P945 HydrophobicContact CB-CB 4.2Å; L847-P945 WeakPolarHBondContact O-CB 3.23Å; T848-P945 HydrophobicContact CG2-CG 4.14Å; A851-P945 HydrophobicContact CB-CB 3.89Å; A851-P945 HydrophobicContact CB-CG 4.45Å; F941-P945 HydrophobicContact CE2-CB 4.12Å; F941-P945 WeakPolarHBondContact O-CA 3.37Å; F941-P945 VanDerWaalsContact O-N 3.14Å
946T76.8Confident80.7Confident33 Ų3356 Ų5620%0.20229%0.294CS..  trans-137.6153.7172.961.60000107.9N944 D948 N949 L950N944-T946 PolarHBondContact O-N 3.35Å; T946-D948 PolarHBondContact O-N 3.37Å; T946-N949 PolarHBondContact O-N 3.04Å; T946-N949 PolarHBondContact OG1-ND2 3.22Å; T946-L950 PolarHBondContact O-N 3.3Å
947A73.1Confident79.5Confident59 Ų5952.2 Ų52.249%0.48828%0.275SS..G310 helixtrans-53.5-4117800000111.6L847 N949 L950L847-A947 HydrophobicContact CD1-CB 4.24Å; L847-A947 VanDerWaalsContact CD1-N 3.31Å; A947-N949 PolarHBondContact O-N 3.12Å; A947-L950 WeakPolarHBondContact O-CB 3.49Å; A947-L950 PolarHBondContact O-N 2.78Å
948D74.1Confident78.6Confident142 Ų14251.3 Ų51.376%0.75927%0.27SS*.G310 helixtrans-60.4-26.4177-67.8-12.3000115T946T946-D948 PolarHBondContact O-N 3.37Å
949N81.8Confident77.4Confident38 Ų3854.7 Ų54.720%0.20329%0.294CS..G310 helixtrans-95-13.9-177.6-70.9-36.2000112.4F941 N944 T946 A947 P951F941-N949 HydrophobicContact CB-CB 4.32Å; F941-N949 WeakPolarHBondContact CB-O 3.32Å; N944-N949 PolarHBondContact ND2-ND2 3.49Å; N944-N949 PolarHBondContact O-ND2 2.71Å; T946-N949 PolarHBondContact O-N 3.04Å; T946-N949 PolarHBondContact OG1-ND2 3.22Å; A947-N949 PolarHBondContact O-N 3.12Å; N949-P951 WeakPolarHBondContact O-CD 3.15Å
950L81.3Confident76.2Confident31 Ų3153 Ų5316%0.16229%0.291CS..SBendtrans-64.8125.2-177.3-176.469.1000110L847 R850 F941 T946 A947 S952 Y1021L847-L950 HydrophobicContact CD2-CD2 4.31Å; R850-L950 VanDerWaalsContact CZ-CD1 3.5Å; F941-L950 HydrophobicContact CD1-CD1 4.01Å; F941-L950 HydrophobicContact CD2-CB 4.08Å; F941-L950 HydrophobicContact CD2-CD1 3.92Å; F941-L950 HydrophobicContact CE1-CD1 3.71Å; F941-L950 HydrophobicContact CE2-CB 4.23Å; F941-L950 HydrophobicContact CE2-CD1 3.64Å; F941-L950 HydrophobicContact CG-CD1 4.12Å; F941-L950 HydrophobicContact CZ-CD1 3.53Å; T946-L950 PolarHBondContact O-N 3.3Å; A947-L950 WeakPolarHBondContact O-CB 3.49Å; A947-L950 PolarHBondContact O-N 2.78Å; L950-S952 PolarHBondContact O-N 3.48Å; L950-Y1021 HydrophobicContact CD2-CD1 3.68Å; L950-Y1021 HydrophobicContact CD2-CE1 3.27Å
951P81.1Confident75.5Confident4 Ų455.2 Ų55.23%0.02631%0.308CS..  trans-60.6133.9176.3-20.831.6000110.9F934 Q937 W938 N949 Y998F934-P951 HydrophobicContact CD2-CB 3.97Å; F934-P951 HydrophobicContact CE2-CB 3.5Å; F934-P951 HydrophobicContact CE2-CG 4.33Å; F934-P951 HydrophobicContact CZ-CB 4.13Å; Q937-P951 HydrophobicContact CB-CG 4.35Å; W938-P951 HydrophobicContact CB-CG 3.98Å; N949-P951 WeakPolarHBondContact O-CD 3.15Å; P951-Y998 HydrophobicContact CB-CD1 4.35Å; P951-Y998 HydrophobicContact CB-CE1 3.72Å; P951-Y998 WeakPolarHBondContact CD-OH 3.45Å; P951-Y998 HydrophobicContact CG-CE1 4.1Å; P951-Y998 VanDerWaalsContact O-CE1 3.26Å; P951-Y998 WeakPolarHBondContact O-CE1 3.4Å
952S73.6Confident74.8Confident101 Ų10157.2 Ų57.271%0.70633%0.328SS*.  trans-80-39.4-174.953.50000113.4L950L950-S952 PolarHBondContact O-N 3.48Å
953S75.8Confident74Confident41 Ų4156.8 Ų56.829%0.28733%0.326SS..  trans-157.1150.9-178.456.10000111.8F934 L955F934-S953 WeakPolarHBondContact CD2-O 3.47Å; F934-S953 WeakPolarHBondContact CE2-O 3.37Å; S953-L955 PolarHBondContact O-N 3.17Å
954L74.9Confident73.3Confident1 Ų151.1 Ų51.11%0.00531%0.308CS..  trans-88.4103.5171-173.872.4000108.8I930 F934 W991 L994 Y998I930-L954 HydrophobicContact CD1-CD1 4.15Å; I930-L954 HydrophobicContact CG2-CD1 4.14Å; F934-L954 HydrophobicContact CD1-CD1 3.84Å; F934-L954 HydrophobicContact CD2-CD1 4.24Å; F934-L954 HydrophobicContact CE1-CD1 3.58Å; F934-L954 HydrophobicContact CE2-CB 4.32Å; F934-L954 HydrophobicContact CE2-CD1 3.99Å; F934-L954 HydrophobicContact CG-CD1 4.17Å; F934-L954 HydrophobicContact CZ-CD1 3.66Å; L954-W991 HydrophobicContact CD2-CE3 3.98Å; L954-W991 HydrophobicContact CD2-CH2 3.99Å; L954-W991 HydrophobicContact CD2-CZ3 3.5Å; L954-W991 HydrophobicContact CG-CZ3 4.09Å; L954-L994 HydrophobicContact CD1-CB 4.32Å; L954-L994 HydrophobicContact CD1-CD1 4.32Å; L954-L994 HydrophobicContact CD2-CB 3.88Å; L954-Y998 WeakPolarHBondContact CB-O 3.49Å
955L73.6Confident72.9Confident81 Ų8147.4 Ų47.442%0.42429%0.29SS..  trans-89.5156.3178.9-63.5173.9000111.4P931 S953P931-L955 WeakPolarHBondContact CD-O 3.14Å; P931-L955 HydrophobicContact CG-CB 4.13Å; S953-L955 PolarHBondContact O-N 3.17Å
956S65.9Low72.3Confident5 Ų554.1 Ų54.14%0.03532%0.319CS..  trans-65145.5168.81790000111.5P931 F958 S959 W1036P931-S956 WeakPolarHBondContact CG-O 3.37Å; S956-F958 PolarHBondContact O-N 3.43Å; S956-F958 PolarHBondContact OG-N 3.4Å; S956-S959 VanDerWaalsContact O-CB 3.29Å; S956-S959 WeakPolarHBondContact O-CB 3.47Å; S956-S959 PolarHBondContact O-N 3.25Å; S956-W1036 VanDerWaalsContact CB-CZ3 3.41Å; S956-W1036 VanDerWaalsContact OG-CE3 3.29Å; S956-W1036 WeakPolarHBondContact OG-CZ3 3.32Å
957G63.9Low71.8Confident1 Ų156.7 Ų56.71%0.0133%0.329CS..G310 helixtrans-54.3-33.3170.900000113L929 S959 S960 L983L929-G957 WeakPolarHBondContact O-CA 3.44Å; L929-G957 PolarHBondContact O-N 3.33Å; G957-S959 PolarHBondContact O-N 3.38Å; G957-S960 WeakPolarHBondContact O-CB 3.47Å; G957-S960 PolarHBondContact O-N 3.02Å; G957-S960 VanDerWaalsContact O-N 3.13Å; G957-S960 PolarHBondContact O-OG 3.46Å; G957-L983 VanDerWaalsContact CA-CD2 3.43Å; G957-L983 WeakPolarHBondContact O-CD2 3.46Å
958F64.8Low71.4Confident72 Ų7256.2 Ų56.232%0.31633%0.33SS..G310 helixtrans-67.1-19.7176.7-66.5-68.7000114S956 S960 V963 L964 M970 W1036S956-F958 PolarHBondContact O-N 3.43Å; S956-F958 PolarHBondContact OG-N 3.4Å; F958-S960 PolarHBondContact O-N 3.47Å; F958-V963 HydrophobicContact CD1-CG1 4.23Å; F958-L964 HydrophobicContact CB-CD1 4.1Å; F958-L964 HydrophobicContact CB-CG 4.48Å; F958-L964 HydrophobicContact CD1-CD1 4.4Å; F958-L964 HydrophobicContact CD1-CD2 3.79Å; F958-L964 HydrophobicContact CD1-CG 4.19Å; F958-L964 HydrophobicContact CE1-CD2 4.38Å; F958-M970 HydrophobicContact CE1-CG 4.46Å; F958-W1036 HydrophobicContact CD2-CE3 4.1Å; F958-W1036 AromaticContact CD2-CZ3 3.89Å; F958-W1036 HydrophobicContact CD2-CZ3 3.89Å; F958-W1036 HydrophobicContact CE2-CE3 4.42Å
959S64.8Low71Confident71 Ų7153.1 Ų53.150%0.49731%0.311SS..G310 helixtrans-78.6-4.4175-53.20000113.1S956 G957S956-S959 VanDerWaalsContact O-CB 3.29Å; S956-S959 WeakPolarHBondContact O-CB 3.47Å; S956-S959 PolarHBondContact O-N 3.25Å; G957-S959 PolarHBondContact O-N 3.38Å
960S68.1Low70.3Confident19 Ų1952.3 Ų52.313%0.13331%0.306CS..SBendtrans-80.5133179.8-34.70000111P931 G957 F958 G962 V963P931-S960 WeakPolarHBondContact CA-OG 3.25Å; P931-S960 WeakPolarHBondContact CB-OG 3.37Å; P931-S960 VanDerWaalsContact CG-OG 3.24Å; P931-S960 WeakPolarHBondContact CG-OG 3.15Å; G957-S960 WeakPolarHBondContact O-CB 3.47Å; G957-S960 PolarHBondContact O-N 3.02Å; G957-S960 VanDerWaalsContact O-N 3.13Å; G957-S960 PolarHBondContact O-OG 3.46Å; F958-S960 PolarHBondContact O-N 3.47Å; S960-G962 PolarHBondContact O-N 3.37Å; S960-V963 WeakPolarHBondContact O-CB 3.44Å; S960-V963 PolarHBondContact O-N 2.71Å; S960-V963 VanDerWaalsContact O-N 3.17Å
961D71.7Confident69.7Low160 Ų16053.6 Ų53.686%0.85631%0.313SS*.THydrogen-bonded Turntrans-54133.4171.5-70.3-19.8000111.3
962G73.6Confident69.4Low42 Ų4256.7 Ų56.743%0.43333%0.326SS..THydrogen-bonded Turntrans83.91.5179.900000115.6S960S960-G962 PolarHBondContact O-N 3.37Å
963V70.2Confident69.2Low0 Ų054.8 Ų54.80%031%0.31CS..THydrogen-bonded Turntrans-85.7-51.9172.7172.30000110.9F958 S960 M970 L971 L977 T982 L983F958-V963 HydrophobicContact CD1-CG1 4.23Å; S960-V963 WeakPolarHBondContact O-CB 3.44Å; S960-V963 PolarHBondContact O-N 2.71Å; S960-V963 VanDerWaalsContact O-N 3.17Å; V963-M970 WeakPolarHBondContact O-CA 3.5Å; V963-L971 PolarHBondContact O-N 3.18Å; V963-L977 HydrophobicContact CB-CD1 4.38Å; V963-L977 HydrophobicContact CG1-CD1 3.92Å; V963-L977 HydrophobicContact CG2-CD1 4.25Å; V963-L977 HydrophobicContact CG2-CD2 4.43Å; V963-T982 HydrophobicContact CG2-CG2 3.6Å; V963-L983 HydrophobicContact CG1-CD1 4.26Å; V963-L983 HydrophobicContact CG2-CD1 4.26Å; V963-L983 HydrophobicContact CG2-CD2 3.85Å; V963-L983 HydrophobicContact CG2-CG 4.03Å
964L68.8Low68.6Low63 Ų6355.8 Ų55.833%0.3331%0.307SS..BIsolated β-bridgetrans-96.9141.3174-63.2179.9000109.9F958 Q969F958-L964 HydrophobicContact CB-CD1 4.1Å; F958-L964 HydrophobicContact CB-CG 4.48Å; F958-L964 HydrophobicContact CD1-CD1 4.4Å; F958-L964 HydrophobicContact CD1-CD2 3.79Å; F958-L964 HydrophobicContact CD1-CG 4.19Å; F958-L964 HydrophobicContact CE1-CD2 4.38Å; L964-Q969 CarbonylContact C-O 3.47Å; L964-Q969 WeakPolarHBondContact CA-O 3.46Å
965C70.1Confident68.1Low12 Ų1259.7 Ų59.78%0.08133%0.326CS..  trans-77.8172.7164.668.80000111H967 G968 Q969 L971 C1047 C1050C965-H967 PolarHBondContact O-N 3.24Å; C965-H967 VanDerWaalsContact O-N 3.08Å; C965-H967 VanDerWaalsContact SG-CB 3.57Å; C965-H967 PolarHBondContact SG-N 3.33Å; C965-H967 VanDerWaalsContact SG-N 3.39Å; C965-G968 PolarHBondContact O-N 2.92Å; C965-Q969 PolarHBondContact N-O 2.93Å; C965-Q969 PolarHBondContact SG-O 3.49Å; C965-L971 HydrophobicContact CB-CD1 3.88Å; C965-C1047 HydrophobicContact CB-CB 4.48Å; C965-C1047 VanDerWaalsContact SG-CB 3.53Å; C965-C1047 PolarHBondContact SG-SG 3.29Å; C965-C1050 HydrophobicContact CB-CB 4.31Å; C965-C1050 WeakPolarHBondContact CB-SG 3.42Å
966E70.9Confident68.1Low160 Ų16057 Ų5775%0.74832%0.315SS*.THydrogen-bonded Turntrans-57.9-20173.763.2-173.2170.200114G968E966-G968 VanDerWaalsContact C-N 3.3Å
967H66.4Low68.5Low87 Ų8756.8 Ų56.840%0.40331%0.314SS..THydrogen-bonded Turntrans-84.92.7174.5-51.292.3000113.7C965 Q969 N1049 C1050C965-H967 PolarHBondContact O-N 3.24Å; C965-H967 VanDerWaalsContact O-N 3.08Å; C965-H967 VanDerWaalsContact SG-CB 3.57Å; C965-H967 PolarHBondContact SG-N 3.33Å; C965-H967 VanDerWaalsContact SG-N 3.39Å; H967-Q969 VanDerWaalsContact C-N 3.3Å; H967-Q969 PolarHBondContact O-N 3.32Å; H967-N1049 PolarHBondContact CD2-ND2 2.96Å; H967-N1049 PolarHBondContact NE2-ND2 3.41Å; H967-C1050 PolarHBondContact ND1-SG 3.39Å
968G63.9Low69Low50 Ų5056.8 Ų56.852%0.51531%0.313SS..SBendtrans7414.2179.900000115.1C965 E966C965-G968 PolarHBondContact O-N 2.92Å; E966-G968 VanDerWaalsContact C-N 3.3Å
969Q66.7Low69.3Low76 Ų7659 Ų5936%0.35533%0.328SS..SBendtrans-108.7161.5176.2-69.5-167.7-19.800111.5L964 C965 H967 L971 C1047L964-Q969 CarbonylContact C-O 3.47Å; L964-Q969 WeakPolarHBondContact CA-O 3.46Å; C965-Q969 PolarHBondContact N-O 2.93Å; C965-Q969 PolarHBondContact SG-O 3.49Å; H967-Q969 VanDerWaalsContact C-N 3.3Å; H967-Q969 PolarHBondContact O-N 3.32Å; Q969-L971 PolarHBondContact O-N 3.31Å; Q969-C1047 HydrophobicContact CB-CB 3.82Å; Q969-C1047 VanDerWaalsContact OE1-CA 3.3Å
970M66Low70Confident21 Ų2160.4 Ų60.410%0.10333%0.327CS..BIsolated β-bridgetrans-65.7128.8-179.3-67.4-155.3-60.300111.5F958 V963 K972 W974 L977 C1047F958-M970 HydrophobicContact CE1-CG 4.46Å; V963-M970 WeakPolarHBondContact O-CA 3.5Å; M970-K972 VanDerWaalsContact C-N 3.28Å; M970-K972 WeakPolarHBondContact CB-O 3.4Å; M970-K972 PolarHBondContact O-N 2.94Å; M970-W974 HydrophobicContact CE-CB 4.39Å; M970-W974 HydrophobicContact SD-CB 4.45Å; M970-L977 HydrophobicContact SD-CD1 4.47Å; M970-C1047 PolarHBondContact O-N 3.49Å
971L69.1Low70.7Confident58 Ų5862.3 Ų62.330%0.30434%0.34SS..SBendtrans-67.9-32175.7-161100.2000111.5V963 C965 Q969V963-L971 PolarHBondContact O-N 3.18Å; C965-L971 HydrophobicContact CB-CD1 3.88Å; Q969-L971 PolarHBondContact O-N 3.31Å
972K74.7Confident71.1Confident70 Ų7056.4 Ų56.430%0.30431%0.31SS..SBendtrans-142.6161.8-178.7-61.7-179.1-175178.50110.4M970 A976 L977 E980 L1046M970-K972 VanDerWaalsContact C-N 3.28Å; M970-K972 WeakPolarHBondContact CB-O 3.4Å; M970-K972 PolarHBondContact O-N 2.94Å; K972-A976 HydrophobicContact CB-CB 4.13Å; K972-L977 HydrophobicContact CB-CD2 4.09Å; K972-L977 HydrophobicContact CB-CG 4.11Å; K972-L977 HydrophobicContact CD-CD2 4.43Å; K972-E980 WeakPolarHBondContact CD-OE2 3.47Å; K972-E980 IonicContact NZ-OE1 3.89Å; K972-E980 PolarHBondContact NZ-OE1 3.39Å; K972-E980 IonicContact NZ-OE2 3.02Å; K972-E980 PolarHBondContact NZ-OE2 3.39Å; K972-L1046 VanDerWaalsContact C-CD2 3.42Å; K972-L1046 VanDerWaalsContact CA-CD2 3.46Å
973T69Low71.4Confident60 Ų6054.6 Ų54.637%0.36829%0.291SS..  trans-58148.2172.364.70000110.7Q975 A976 L977 L1046T973-Q975 PolarHBondContact O-N 2.89Å; T973-A976 WeakPolarHBondContact O-CA 3.37Å; T973-A976 WeakPolarHBondContact O-CB 3.23Å; T973-A976 PolarHBondContact O-N 2.95Å; T973-A976 VanDerWaalsContact OG1-CB 3.24Å; T973-A976 WeakPolarHBondContact OG1-CB 3.34Å; T973-A976 PolarHBondContact OG1-N 2.73Å; T973-A976 VanDerWaalsContact OG1-N 3.15Å; T973-L977 PolarHBondContact O-N 3.43Å; T973-L1046 HydrophobicContact CG2-CD2 4.37Å
974W63.1Low72.1Confident62 Ų6254.6 Ų54.624%0.23529%0.291CS..Hα-helixtrans-60.2-33.7178.766.1-99000111.8M869 L929 M970 A976 L977 I978M869-W974 HydrophobicContact CE-CH2 4.17Å; M869-W974 HydrophobicContact CE-CZ3 3.88Å; L929-W974 HydrophobicContact CD1-CB 4.27Å; M970-W974 HydrophobicContact CE-CB 4.39Å; M970-W974 HydrophobicContact SD-CB 4.45Å; W974-A976 PolarHBondContact O-N 2.93Å; W974-L977 PolarHBondContact O-N 3.32Å; W974-I978 HydrophobicContact CE3-CD1 3.56Å; W974-I978 HydrophobicContact CE3-CG1 4.5Å; W974-I978 HydrophobicContact CZ3-CD1 3.73Å; W974-I978 WeakPolarHBondContact O-CG1 3.4Å; W974-I978 PolarHBondContact O-N 3.29Å
975Q64.2Low72.7Confident84 Ų8451.6 Ų51.639%0.39328%0.275SS..Hα-helixtrans-63-42.1173.6-62.987.8-16.700111.4T973 I978 N979T973-Q975 PolarHBondContact O-N 2.89Å; Q975-I978 PolarHBondContact O-N 2.79Å; Q975-N979 VanDerWaalsContact O-CB 3.32Å; Q975-N979 WeakPolarHBondContact O-CB 3.07Å; Q975-N979 PolarHBondContact O-N 2.84Å; Q975-N979 PolarHBondContact O-ND2 3.45Å
976A73.3Confident73.1Confident24 Ų2451 Ų5120%0.19827%0.271CS..Hα-helixtrans-63.9-42175.400000111.4K972 T973 W974 I978 N979 E980K972-A976 HydrophobicContact CB-CB 4.13Å; T973-A976 WeakPolarHBondContact O-CA 3.37Å; T973-A976 WeakPolarHBondContact O-CB 3.23Å; T973-A976 PolarHBondContact O-N 2.95Å; T973-A976 VanDerWaalsContact OG1-CB 3.24Å; T973-A976 WeakPolarHBondContact OG1-CB 3.34Å; T973-A976 PolarHBondContact OG1-N 2.73Å; T973-A976 VanDerWaalsContact OG1-N 3.15Å; W974-A976 PolarHBondContact O-N 2.93Å; A976-I978 VanDerWaalsContact C-N 3.35Å; A976-I978 PolarHBondContact O-N 3.19Å; A976-N979 PolarHBondContact O-N 3.03Å; A976-E980 WeakPolarHBondContact O-CB 3.37Å; A976-E980 VanDerWaalsContact O-CG 3.29Å; A976-E980 WeakPolarHBondContact O-CG 3.31Å; A976-E980 PolarHBondContact O-N 3.41Å
977L75.4Confident73.3Confident1 Ų145.6 Ų45.61%0.00525%0.249CC..Hα-helixtrans-65.2-35.2177.6-66171.5000112.8V963 M970 K972 T973 W974 S981 T982 L983V963-L977 HydrophobicContact CB-CD1 4.38Å; V963-L977 HydrophobicContact CG1-CD1 3.92Å; V963-L977 HydrophobicContact CG2-CD1 4.25Å; V963-L977 HydrophobicContact CG2-CD2 4.43Å; M970-L977 HydrophobicContact SD-CD1 4.47Å; K972-L977 HydrophobicContact CB-CD2 4.09Å; K972-L977 HydrophobicContact CB-CG 4.11Å; K972-L977 HydrophobicContact CD-CD2 4.43Å; T973-L977 PolarHBondContact O-N 3.43Å; W974-L977 PolarHBondContact O-N 3.32Å; L977-S981 PolarHBondContact O-N 2.98Å; L977-T982 HydrophobicContact CD2-CG2 4.2Å; L977-T982 WeakPolarHBondContact O-CB 3.29Å; L977-T982 PolarHBondContact O-N 2.92Å; L977-L983 HydrophobicContact CB-CB 4.42Å; L977-L983 HydrophobicContact CB-CD1 3.92Å; L977-L983 HydrophobicContact CB-CG 4.07Å; L977-L983 HydrophobicContact CD1-CD1 3.84Å; L977-L983 PolarHBondContact O-N 3.47Å
978I73.3Confident73.6Confident1 Ų147.6 Ų47.61%0.00526%0.257CS..Hα-helixtrans-69.4-45.2171.1-67.3176000110.4N865 M869 L929 W974 Q975 A976 E980 S981 L983 P985N865-I978 HydrophobicContact CB-CG2 3.84Å; N865-I978 PolarHBondContact ND2-O 2.8Å; M869-I978 HydrophobicContact CG-CG2 3.97Å; M869-I978 HydrophobicContact SD-CD1 4.02Å; M869-I978 HydrophobicContact SD-CG2 4.2Å; L929-I978 HydrophobicContact CD2-CD1 3.86Å; L929-I978 HydrophobicContact CD2-CG1 4.28Å; W974-I978 HydrophobicContact CE3-CD1 3.56Å; W974-I978 HydrophobicContact CE3-CG1 4.5Å; W974-I978 HydrophobicContact CZ3-CD1 3.73Å; W974-I978 WeakPolarHBondContact O-CG1 3.4Å; W974-I978 PolarHBondContact O-N 3.29Å; Q975-I978 PolarHBondContact O-N 2.79Å; A976-I978 VanDerWaalsContact C-N 3.35Å; A976-I978 PolarHBondContact O-N 3.19Å; I978-E980 VanDerWaalsContact C-N 3.27Å; I978-E980 PolarHBondContact O-N 3.43Å; I978-S981 PolarHBondContact O-N 3.33Å; I978-L983 HydrophobicContact CG1-CB 4.31Å; I978-P985 HydrophobicContact CD1-CB 4.2Å; I978-P985 HydrophobicContact CD1-CG 4.16Å
979N72.6Confident74.2Confident117 Ų11751.1 Ų51.163%0.62626%0.255SS*.Hα-helixtrans-62.6-35.7179.4-72.2-23.6000112.2Q975 A976 S981Q975-N979 VanDerWaalsContact O-CB 3.32Å; Q975-N979 WeakPolarHBondContact O-CB 3.07Å; Q975-N979 PolarHBondContact O-N 2.84Å; Q975-N979 PolarHBondContact O-ND2 3.45Å; A976-N979 PolarHBondContact O-N 3.03Å; N979-S981 PolarHBondContact O-N 2.9Å
980E79Confident75Confident101 Ų10148.2 Ų48.247%0.47224%0.242SC..THydrogen-bonded Turntrans-79.2-0.8174.8-70.3179-17900113.3K972 A976 I978 T982K972-E980 WeakPolarHBondContact CD-OE2 3.47Å; K972-E980 IonicContact NZ-OE1 3.89Å; K972-E980 PolarHBondContact NZ-OE1 3.39Å; K972-E980 IonicContact NZ-OE2 3.02Å; K972-E980 PolarHBondContact NZ-OE2 3.39Å; A976-E980 WeakPolarHBondContact O-CB 3.37Å; A976-E980 VanDerWaalsContact O-CG 3.29Å; A976-E980 WeakPolarHBondContact O-CG 3.31Å; A976-E980 PolarHBondContact O-N 3.41Å; I978-E980 VanDerWaalsContact C-N 3.27Å; I978-E980 PolarHBondContact O-N 3.43Å; E980-T982 PolarHBondContact O-N 2.83Å
981S82.9Confident75.7Confident59 Ų5948.4 Ų48.441%0.41324%0.241SC..THydrogen-bonded Turntrans60.129.3-177.4-56.10000113.9M932 L977 I978 N979M932-S981 WeakPolarHBondContact CB-O 3.35Å; M932-S981 WeakPolarHBondContact CG-O 3.49Å; L977-S981 PolarHBondContact O-N 2.98Å; I978-S981 PolarHBondContact O-N 3.33Å; N979-S981 PolarHBondContact O-N 2.9Å
982T79Confident76Confident37 Ų3747.5 Ų47.523%0.22724%0.237CC..SBendtrans-78.2-43.4170-48.60000110.2M932 V963 L977 E980M932-T982 WeakPolarHBondContact CB-O 3.4Å; M932-T982 PolarHBondContact N-O 3.5Å; V963-T982 HydrophobicContact CG2-CG2 3.6Å; L977-T982 HydrophobicContact CD2-CG2 4.2Å; L977-T982 WeakPolarHBondContact O-CB 3.29Å; L977-T982 PolarHBondContact O-N 2.92Å; E980-T982 PolarHBondContact O-N 2.83Å
983L81.2Confident76.2Confident4 Ų445 Ų452%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-115.1154.2179.9-64.5-179.2000111.8N865 L929 I930 G957 V963 L977 I978N865-L983 PolarHBondContact ND2-O 3.35Å; L929-L983 HydrophobicContact CB-CD1 4.39Å; L929-L983 HydrophobicContact CD1-CD1 4.07Å; I930-L983 WeakPolarHBondContact O-CA 3.13Å; G957-L983 VanDerWaalsContact CA-CD2 3.43Å; G957-L983 WeakPolarHBondContact O-CD2 3.46Å; V963-L983 HydrophobicContact CG1-CD1 4.26Å; V963-L983 HydrophobicContact CG2-CD1 4.26Å; V963-L983 HydrophobicContact CG2-CD2 3.85Å; V963-L983 HydrophobicContact CG2-CG 4.03Å; L977-L983 HydrophobicContact CB-CB 4.42Å; L977-L983 HydrophobicContact CB-CD1 3.92Å; L977-L983 HydrophobicContact CB-CG 4.07Å; L977-L983 HydrophobicContact CD1-CD1 3.84Å; L977-L983 PolarHBondContact O-N 3.47Å; I978-L983 HydrophobicContact CG1-CB 4.31Å
984Y84.2Confident76.8Confident0 Ų042.1 Ų42.10%021%0.209CC..EExtended strand (participates in β ladder)trans-125.5124.3175.8-161.2-93.2000110G860 L861 L863 N865 R868 I930 M932 I935 L986G860-Y984 PolarHBondContact O-OH 2.67Å; L861-Y984 HydrophobicContact CD2-CD1 4.34Å; L861-Y984 HydrophobicContact CD2-CE1 3.69Å; L861-Y984 PolarHBondContact O-OH 3.05Å; L863-Y984 PolarHBondContact O-OH 3.45Å; N865-Y984 WeakPolarHBondContact OD1-CD2 3.26Å; N865-Y984 WeakPolarHBondContact OD1-CE2 3.4Å; R868-Y984 WeakPolarHBondContact CD-OH 3.26Å; I930-Y984 PolarHBondContact N-O 3.48Å; I930-Y984 PolarHBondContact O-N 2.88Å; M932-Y984 HydrophobicContact CE-CD2 3.78Å; M932-Y984 HydrophobicContact CE-CE2 4.38Å; M932-Y984 HydrophobicContact SD-CD2 3.77Å; M932-Y984 HydrophobicContact SD-CE2 4.49Å; I935-Y984 HydrophobicContact CD1-CD1 3.99Å; I935-Y984 HydrophobicContact CD1-CE1 4.27Å; I935-Y984 HydrophobicContact CD1-CG 4.39Å; I935-Y984 HydrophobicContact CG1-CD1 3.83Å; I935-Y984 HydrophobicContact CG1-CD2 4.2Å; I935-Y984 HydrophobicContact CG1-CE1 4.39Å; I935-Y984 HydrophobicContact CG1-CG 3.71Å; I935-Y984 HydrophobicContact CG2-CD2 4.33Å; I935-Y984 HydrophobicContact CG2-CE2 4.33Å; Y984-L986 HydrophobicContact CD1-CD2 4.03Å; Y984-L986 HydrophobicContact CE1-CD2 4.32Å
985P81.1Confident77.4Confident0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-77.7143.5178.931.1-33.6000111.4R868 M869 L872 L927 Y928 L929 I978R868-P985 HydrophobicContact CG-CG 4.16Å; R868-P985 PolarHBondContact NE-O 3.36Å; R868-P985 PolarHBondContact NH2-O 3.42Å; M869-P985 HydrophobicContact SD-CG 4.01Å; L872-P985 HydrophobicContact CD1-CB 4.1Å; L872-P985 HydrophobicContact CD1-CG 4.07Å; L927-P985 HydrophobicContact CD2-CB 4.38Å; Y928-P985 CarbonylContact O-C 3.57Å; Y928-P985 WeakPolarHBondContact O-CA 3.3Å; L929-P985 HydrophobicContact CD2-CB 4.12Å; I978-P985 HydrophobicContact CD1-CB 4.2Å; I978-P985 HydrophobicContact CD1-CG 4.16Å
986L78.4Confident77.8Confident0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-123.9139.8175.8-62.7179.4000109.9L861 Y928 I930 Y984 E990 W991 L994L861-L986 HydrophobicContact CD2-CD2 3.32Å; Y928-L986 PolarHBondContact N-O 3.32Å; Y928-L986 PolarHBondContact O-N 3.45Å; I930-L986 HydrophobicContact CB-CD1 4.45Å; I930-L986 HydrophobicContact CD1-CD1 3.71Å; I930-L986 HydrophobicContact CD1-CD2 4.29Å; I930-L986 HydrophobicContact CD1-CG 4.16Å; I930-L986 HydrophobicContact CG1-CD1 3.84Å; I930-L986 HydrophobicContact CG1-CG 4.04Å; I930-L986 HydrophobicContact CG2-CD1 3.76Å; Y984-L986 HydrophobicContact CD1-CD2 4.03Å; Y984-L986 HydrophobicContact CE1-CD2 4.32Å; L986-E990 HydrophobicContact CB-CB 4.39Å; L986-E990 HydrophobicContact CD2-CB 4.13Å; L986-W991 HydrophobicContact CB-CB 4.36Å; L986-W991 HydrophobicContact CD1-CB 4.44Å; L986-W991 HydrophobicContact CD1-CE3 4.07Å; L986-L994 HydrophobicContact CD1-CD1 3.84Å; L986-L994 HydrophobicContact CD2-CD1 4.3Å
987T76.2Confident77.9Confident45 Ų4540.6 Ų40.628%0.27621%0.208SC..  trans-69.5163.4164.661.60000109.7L872 Y989 E990 W991L872-T987 HydrophobicContact CD2-CG2 3.73Å; T987-Y989 VanDerWaalsContact C-N 3.27Å; T987-Y989 PolarHBondContact O-N 3.49Å; T987-E990 WeakPolarHBondContact CB-OE2 3.41Å; T987-E990 WeakPolarHBondContact CG2-OE2 3.41Å; T987-E990 PolarHBondContact N-OE2 3.09Å; T987-E990 PolarHBondContact O-N 3.3Å; T987-E990 VanDerWaalsContact OG1-CD 3.3Å; T987-E990 WeakPolarHBondContact OG1-CG 3.14Å; T987-E990 PolarHBondContact OG1-N 3.03Å; T987-E990 PolarHBondContact OG1-OE2 3.49Å; T987-W991 WeakPolarHBondContact O-CB 2.97Å; T987-W991 PolarHBondContact O-N 3.14Å
988F72.1Confident78.1Confident130 Ų13040.9 Ų40.957%0.5721%0.209SC*.Hα-helixtrans-51.7-46.4172.5178.2-101.1000112.5Y928 E990 W991 D992Y928-F988 HydrophobicContact CE2-CB 4.22Å; Y928-F988 AromaticContact CE2-CD2 3.92Å; Y928-F988 HydrophobicContact CE2-CD2 3.92Å; F988-E990 PolarHBondContact O-N 2.54Å; F988-W991 PolarHBondContact O-N 3.42Å; F988-D992 VanDerWaalsContact O-CB 3.29Å; F988-D992 WeakPolarHBondContact O-CB 3.22Å; F988-D992 PolarHBondContact O-N 3.2Å
989Y77.4Confident77.6Confident123 Ų12344 Ų4448%0.48223%0.229SC..Hα-helixtrans-60.6-45.7178.9171.8-100000113M857 T987 D992 V993M857-Y989 WeakPolarHBondContact CE-OH 3.44Å; T987-Y989 VanDerWaalsContact C-N 3.27Å; T987-Y989 PolarHBondContact O-N 3.49Å; Y989-D992 WeakPolarHBondContact O-CB 3.42Å; Y989-D992 PolarHBondContact O-N 3.49Å; Y989-V993 HydrophobicContact CD2-CG2 4.41Å; Y989-V993 HydrophobicContact CE1-CG2 4.18Å; Y989-V993 HydrophobicContact CE2-CG2 3.97Å; Y989-V993 WeakPolarHBondContact O-CG2 3.27Å; Y989-V993 PolarHBondContact O-N 2.95Å
990E83.4Confident76.7Confident16 Ų1641.6 Ų41.68%0.07521%0.214CC..Hα-helixtrans-70.8-36.8-178.7-66.5156.4130.800112.1L858 R868 L986 T987 F988 D992 L994L858-E990 HydrophobicContact CD2-CB 4.09Å; L858-E990 HydrophobicContact CD2-CG 4Å; R868-E990 IonicContact CZ-OE1 2.88Å; R868-E990 IonicContact CZ-OE2 3.45Å; R868-E990 IonicContact NH1-OE1 3.98Å; R868-E990 PolarHBondContact NH1-OE1 3.39Å; R868-E990 IonicContact NH1-OE2 2.68Å; R868-E990 IonicContact NH2-OE1 3.15Å; R868-E990 PolarHBondContact NH2-OE1 2.91Å; R868-E990 IonicContact NH2-OE2 3.62Å; R868-E990 PolarHBondContact NH2-OE2 3.35Å; L986-E990 HydrophobicContact CB-CB 4.39Å; L986-E990 HydrophobicContact CD2-CB 4.13Å; T987-E990 WeakPolarHBondContact CB-OE2 3.41Å; T987-E990 WeakPolarHBondContact CG2-OE2 3.41Å; T987-E990 PolarHBondContact N-OE2 3.09Å; T987-E990 PolarHBondContact O-N 3.3Å; T987-E990 VanDerWaalsContact OG1-CD 3.3Å; T987-E990 WeakPolarHBondContact OG1-CG 3.14Å; T987-E990 PolarHBondContact OG1-N 3.03Å; T987-E990 PolarHBondContact OG1-OE2 3.49Å; F988-E990 PolarHBondContact O-N 2.54Å; E990-D992 VanDerWaalsContact C-N 3.34Å; E990-L994 WeakPolarHBondContact O-CB 3.46Å; E990-L994 WeakPolarHBondContact O-CG 3.4Å; E990-L994 PolarHBondContact O-N 3.27Å
991W79.9Confident75.3Confident24 Ų2443.6 Ų43.69%0.09122%0.223CC..Hα-helixtrans-61.4-45.4171.5170.8-100.5000111Y928 I930 L954 L986 T987 F988 L994 S995Y928-W991 HydrophobicContact CD1-CB 4.26Å; Y928-W991 AromaticContact CD1-CD1 3.74Å; Y928-W991 AromaticContact CD1-CD2 3.72Å; Y928-W991 HydrophobicContact CD1-CD2 3.72Å; Y928-W991 AromaticContact CD1-CE2 3.91Å; Y928-W991 HydrophobicContact CD1-CE3 4.38Å; Y928-W991 AromaticContact CD1-CG 3.61Å; Y928-W991 HydrophobicContact CD1-CG 3.61Å; Y928-W991 AromaticContact CD1-NE1 3.9Å; Y928-W991 HydrophobicContact CD2-CB 3.79Å; Y928-W991 HydrophobicContact CD2-CG 4Å; Y928-W991 AromaticContact CE1-CD1 3.63Å; Y928-W991 HydrophobicContact CE1-CD2 4.34Å; Y928-W991 AromaticContact CE1-CG 3.99Å; Y928-W991 HydrophobicContact CE1-CG 3.99Å; Y928-W991 AromaticContact CE1-NE1 3.75Å; Y928-W991 HydrophobicContact CE2-CB 4.35Å; Y928-W991 HydrophobicContact CE2-CG 4.37Å; Y928-W991 HydrophobicContact CG-CB 3.76Å; Y928-W991 AromaticContact CG-CD2 4Å; Y928-W991 HydrophobicContact CG-CD2 4Å; Y928-W991 HydrophobicContact CG-CE3 4.5Å; Y928-W991 AromaticContact CG-CG 3.63Å; Y928-W991 HydrophobicContact CG-CG 3.63Å; Y928-W991 AromaticContact CZ-CD1 3.9Å; I930-W991 HydrophobicContact CG2-CE3 4.16Å; I930-W991 HydrophobicContact CG2-CZ3 3.81Å; L954-W991 HydrophobicContact CD2-CE3 3.98Å; L954-W991 HydrophobicContact CD2-CH2 3.99Å; L954-W991 HydrophobicContact CD2-CZ3 3.5Å; L954-W991 HydrophobicContact CG-CZ3 4.09Å; L986-W991 HydrophobicContact CB-CB 4.36Å; L986-W991 HydrophobicContact CD1-CB 4.44Å; L986-W991 HydrophobicContact CD1-CE3 4.07Å; T987-W991 WeakPolarHBondContact O-CB 2.97Å; T987-W991 PolarHBondContact O-N 3.14Å; F988-W991 PolarHBondContact O-N 3.42Å; W991-L994 PolarHBondContact O-N 2.78Å; W991-S995 WeakPolarHBondContact O-CB 3.22Å; W991-S995 PolarHBondContact O-N 3.47Å; W991-S995 PolarHBondContact O-OG 3.39Å
992D75Confident73.3Confident40 Ų4047.7 Ų47.721%0.21424%0.24CC..Hα-helixtrans-57.7-52.3178.2-167.557.4000110.6F988 Y989 E990 L994 S995 H996F988-D992 VanDerWaalsContact O-CB 3.29Å; F988-D992 WeakPolarHBondContact O-CB 3.22Å; F988-D992 PolarHBondContact O-N 3.2Å; Y989-D992 WeakPolarHBondContact O-CB 3.42Å; Y989-D992 PolarHBondContact O-N 3.49Å; E990-D992 VanDerWaalsContact C-N 3.34Å; D992-L994 PolarHBondContact O-N 3.37Å; D992-S995 PolarHBondContact O-N 3.49Å; D992-S995 PolarHBondContact O-OG 2.86Å; D992-S995 VanDerWaalsContact O-OG 3.06Å; D992-H996 PolarHBondContact O-N 2.68Å; D992-H996 PolarHBondContact O-ND1 3.3Å; D992-H996 IonicContact OD1-CE1 3.7Å; D992-H996 PolarHBondContact OD1-CE1 3.07Å; D992-H996 IonicContact OD1-ND1 3.31Å
993V79.5Confident71.2Confident16 Ų1653.7 Ų53.710%0.09726%0.263CS..Hα-helixtrans-59.8-46.1177.8174.90000112.4L858 Y989 A997L858-V993 HydrophobicContact CD1-CG1 3.95Å; L858-V993 HydrophobicContact CD2-CB 4.03Å; L858-V993 HydrophobicContact CD2-CG1 3.94Å; L858-V993 HydrophobicContact CG-CG1 4.01Å; Y989-V993 HydrophobicContact CD2-CG2 4.41Å; Y989-V993 HydrophobicContact CE1-CG2 4.18Å; Y989-V993 HydrophobicContact CE2-CG2 3.97Å; Y989-V993 WeakPolarHBondContact O-CG2 3.27Å; Y989-V993 PolarHBondContact O-N 2.95Å; V993-A997 PolarHBondContact O-N 3.41Å; V993-A997 VanDerWaalsContact O-N 3.14Å
994L82.4Confident69Low0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-70.2-40.7-177.7-78.5177.2000112.9L858 L861 I930 F934 L954 L986 E990 W991 D992 H996 A997 Y998L858-L994 HydrophobicContact CD1-CD2 3.6Å; L858-L994 HydrophobicContact CD1-CG 3.91Å; L861-L994 HydrophobicContact CD1-CD1 3.85Å; L861-L994 HydrophobicContact CD1-CD2 4.36Å; L861-L994 HydrophobicContact CD1-CG 4.35Å; I930-L994 HydrophobicContact CD1-CD1 4.37Å; F934-L994 HydrophobicContact CE1-CD1 4.16Å; F934-L994 HydrophobicContact CE1-CD2 4.05Å; F934-L994 HydrophobicContact CZ-CD2 4.27Å; L954-L994 HydrophobicContact CD1-CB 4.32Å; L954-L994 HydrophobicContact CD1-CD1 4.32Å; L954-L994 HydrophobicContact CD2-CB 3.88Å; L986-L994 HydrophobicContact CD1-CD1 3.84Å; L986-L994 HydrophobicContact CD2-CD1 4.3Å; E990-L994 WeakPolarHBondContact O-CB 3.46Å; E990-L994 WeakPolarHBondContact O-CG 3.4Å; E990-L994 PolarHBondContact O-N 3.27Å; W991-L994 PolarHBondContact O-N 2.78Å; D992-L994 PolarHBondContact O-N 3.37Å; L994-H996 VanDerWaalsContact C-N 3.25Å; L994-H996 PolarHBondContact O-N 2.97Å; L994-A997 PolarHBondContact O-N 2.96Å; L994-Y998 HydrophobicContact CD2-CD2 3.99Å; L994-Y998 HydrophobicContact CD2-CE2 4Å; L994-Y998 WeakPolarHBondContact O-CB 3.29Å; L994-Y998 PolarHBondContact O-N 3.2Å
995S74.8Confident66.7Low33 Ų3368.8 Ų68.823%0.23134%0.338CS..Hα-helixtrans-66.4-29.4-179.260.10000112.3W991 D992 Y998W991-S995 WeakPolarHBondContact O-CB 3.22Å; W991-S995 PolarHBondContact O-N 3.47Å; W991-S995 PolarHBondContact O-OG 3.39Å; D992-S995 PolarHBondContact O-N 3.49Å; D992-S995 PolarHBondContact O-OG 2.86Å; D992-S995 VanDerWaalsContact O-OG 3.06Å; S995-Y998 CarbonylContact O-C 3.51Å
996H72.6Confident64.1Low85 Ų8576.6 Ų76.639%0.39438%0.375SS..Hα-helixtrans-73.2-41.1169.8-73.590.8000112.7D992 L994D992-H996 PolarHBondContact O-N 2.68Å; D992-H996 PolarHBondContact O-ND1 3.3Å; D992-H996 IonicContact OD1-CE1 3.7Å; D992-H996 PolarHBondContact OD1-CE1 3.07Å; D992-H996 IonicContact OD1-ND1 3.31Å; L994-H996 VanDerWaalsContact C-N 3.25Å; L994-H996 PolarHBondContact O-N 2.97Å
997A74.7Confident62Low20 Ų2083.2 Ų83.217%0.16541%0.409CS..Hα-helixtrans-75.4-25.9-179.400000113.7V993 L994V993-A997 PolarHBondContact O-N 3.41Å; V993-A997 VanDerWaalsContact O-N 3.14Å; L994-A997 PolarHBondContact O-N 2.96Å
998Y79.5Confident59.8Low8 Ų886.7 Ų86.73%0.03143%0.432CS..SBendtrans-136.585.3-176.6-62.4-82.3000109.3R850 E854 F934 P951 L954 L994 S995R850-Y998 VanDerWaalsContact NH2-CE1 3.3Å; R850-Y998 VanDerWaalsContact NH2-CZ 3.29Å; R850-Y998 PolarHBondContact NH2-OH 3.01Å; E854-Y998 PolarHBondContact OE1-OH 3.33Å; E854-Y998 PolarHBondContact OE2-OH 3.04Å; F934-Y998 HydrophobicContact CE2-CD1 4.27Å; F934-Y998 HydrophobicContact CE2-CD2 4.35Å; F934-Y998 HydrophobicContact CE2-CG 4.17Å; F934-Y998 HydrophobicContact CZ-CD1 4.39Å; F934-Y998 AromaticContact CZ-CD2 3.7Å; F934-Y998 HydrophobicContact CZ-CD2 3.7Å; F934-Y998 AromaticContact CZ-CE2 3.84Å; F934-Y998 HydrophobicContact CZ-CE2 3.84Å; F934-Y998 AromaticContact CZ-CG 3.98Å; F934-Y998 HydrophobicContact CZ-CG 3.98Å; P951-Y998 HydrophobicContact CB-CD1 4.35Å; P951-Y998 HydrophobicContact CB-CE1 3.72Å; P951-Y998 WeakPolarHBondContact CD-OH 3.45Å; P951-Y998 HydrophobicContact CG-CE1 4.1Å; P951-Y998 VanDerWaalsContact O-CE1 3.26Å; P951-Y998 WeakPolarHBondContact O-CE1 3.4Å; L954-Y998 WeakPolarHBondContact CB-O 3.49Å; L994-Y998 HydrophobicContact CD2-CD2 3.99Å; L994-Y998 HydrophobicContact CD2-CE2 4Å; L994-Y998 WeakPolarHBondContact O-CB 3.29Å; L994-Y998 PolarHBondContact O-N 3.2Å; S995-Y998 CarbonylContact O-C 3.51Å
999P62.7Low57.9Low67 Ų6785.3 Ų85.344%0.43544%0.438SS..  trans-61.4146.3-178.420-29.3000112.7H1001P999-H1001 VanDerWaalsContact C-N 3.27Å; P999-H1001 PolarHBondContact O-N 3.22Å
1000H55.3Low55.8Low65 Ų6586 Ų8630%0.30145%0.451SS..SBendtrans-68.9-22.2-173.7-154.4-90.4000113.6W1036H1000-W1036 AromaticContact CE1-CZ2 3.76Å; H1000-W1036 AromaticContact NE2-CZ2 3.76Å
1001H48.5Very low53.4Low143 Ų14394.5 Ų94.566%0.66249%0.49SS*.  trans-145.6102.6-177.9-62.5-64.1000109.7P999 K1003P999-H1001 VanDerWaalsContact C-N 3.27Å; P999-H1001 PolarHBondContact O-N 3.22Å; H1001-K1003 PolarHBondContact O-N 2.95Å
1002L40.5Very low51.2Low145 Ų145102 Ų10276%0.75953%0.532SS*.  trans-65.397.7147.8-77.6161.9000105.2E1004L1002-E1004 VanDerWaalsContact C-N 3.33Å; L1002-E1004 PolarHBondContact O-N 3.17Å
1003K34.7Very low49.1Very low163 Ų163103 Ų10371%0.70955%0.551SS**  trans-63.3104.4161.4-78.8-175.9178.7177.70105.5H1001 N1005H1001-K1003 PolarHBondContact O-N 2.95Å; K1003-N1005 PolarHBondContact O-N 3.45Å
1004E36.9Very low47.3Very low166 Ų166108.5 Ų108.578%0.77659%0.587SS**THydrogen-bonded Turntrans-59.7-4.2174.7-74.6-178.6153.700113.4L1002L1002-E1004 VanDerWaalsContact C-N 3.33Å; L1002-E1004 PolarHBondContact O-N 3.17Å
1005N35.6Very low44.7Very low156 Ų156117.4 Ų117.483%0.83463%0.629SS**THydrogen-bonded Turntrans-104.914.8-174.1-70.5-12.1000116.1K1003K1003-N1005 PolarHBondContact O-N 3.45Å
1006E26.9Very low42.9Very low164 Ų164121.1 Ų121.177%0.76665%0.652SS**  trans-125.554.8162.7-73.8-179.4-167.100110.2P1008E1006-P1008 WeakPolarHBondContact O-CD 3.36Å
1007I32.4Very low41.2Very low139 Ų139127 Ų12771%0.71368%0.676SS**SBendtrans-79.2114.3147.9-58.6170.5000104S1009I1007-S1009 PolarHBondContact O-N 3.04Å
1008P31.8Very low39.2Very low118 Ų118132.6 Ų132.677%0.76670%0.702SS**  trans-60.8104.8174.1-17.230000107.8E1006 D1010E1006-P1008 WeakPolarHBondContact O-CD 3.36Å; P1008-D1010 PolarHBondContact O-N 2.79Å
1009S31.5Very low37Very low100 Ų100136.6 Ų136.670%0.69973%0.728SS**  trans-60.5124.5161.451.40000107.2I1007I1007-S1009 PolarHBondContact O-N 3.04Å
1010D32.9Very low36.3Very low139 Ų139141.6 Ų141.674%0.74374%0.743SS**  trans65.6106.2168.2-56.3-30.1000116.4P1008P1008-D1010 PolarHBondContact O-N 2.79Å
1011H32.9Very low35.8Very low193 Ų193141.1 Ų141.189%0.89474%0.739SS**  -158112123.7-89.7-53.1000110.3G1013H1011-G1013 PolarHBondContact O-N 2.88Å
1012D33.6Very low35.4Very low183 Ų183139 Ų13998%0.97974%0.737SS**  trans-52.4111.2165.7-93.1-39.5000110.8
1013G31.4Very low35.3Very low60 Ų60136 Ų13662%0.61973%0.726SS**  trans-176.1134.5171.200000111.1H1011 E1015H1011-G1013 PolarHBondContact O-N 2.88Å; G1013-E1015 PolarHBondContact O-N 3.4Å
1014P41.6Very low35.1Very low131 Ų131133.1 Ų133.185%0.85172%0.716SS**  trans-91.597.2-174.633.9-28.2000110.8
1015E28.3Very low34.7Very low188 Ų188134 Ų13488%0.87971%0.713SS**  trans176.7155.4163.2-107.6170.6-155.200111.2G1013G1013-E1015 PolarHBondContact O-N 3.4Å
1016P37.3Very low34.3Very low111 Ų111134 Ų13472%0.72171%0.713SS**  cis-114.5164-48.434.9-20.1000112.4I1018P1016-I1018 PolarHBondContact O-N 3.01Å; P1016-I1018 VanDerWaalsContact O-N 3.14Å
1017K36.5Very low34.1Very low208 Ų208133 Ų13390%0.90471%0.712SS**  trans-19.7100.5172.2-62.8170.7-178.3175.50115.7T1019K1017-T1019 PolarHBondContact O-N 3.21Å; K1017-T1019 VanDerWaalsContact O-N 3.09Å
1018I31.7Very low33.9Very low137 Ų137131.2 Ų131.270%0.70371%0.709SS**  trans-69.3102.1168-59.4169.9000107.8P1016 F1020P1016-I1018 PolarHBondContact O-N 3.01Å; P1016-I1018 VanDerWaalsContact O-N 3.14Å; I1018-F1020 PolarHBondContact O-N 3.38Å; I1018-F1020 VanDerWaalsContact O-N 3.14Å
1019T34Very low33.7Very low93 Ų93134.4 Ų134.457%0.57171%0.714SS**  trans-59.8110.4156.510.90000106.5K1017 Y1021K1017-T1019 PolarHBondContact O-N 3.21Å; K1017-T1019 VanDerWaalsContact O-N 3.09Å; T1019-Y1021 PolarHBondContact O-N 3.19Å
1020F47.9Very low33.8Very low171 Ų171136.8 Ų136.875%0.7572%0.719SS**SBendtrans-63.52.7-175.6-95.1-87.9000114.7I1018I1018-F1020 PolarHBondContact O-N 3.38Å; I1018-F1020 VanDerWaalsContact O-N 3.14Å
1021Y45.4Very low33.8Very low55 Ų55135.8 Ų135.822%0.21671%0.714CS.*SBendtrans-128.5121.3-176.5-49.1-66.5000109.7D846 L847 L950 T1019 T1023D846-Y1021 WeakPolarHBondContact OD2-CD2 3.46Å; L847-Y1021 HydrophobicContact CD2-CD2 4.37Å; L847-Y1021 HydrophobicContact CD2-CE1 4.26Å; L847-Y1021 HydrophobicContact CD2-CE2 3.76Å; L847-Y1021 HydrophobicContact CG-CE2 4.38Å; L950-Y1021 HydrophobicContact CD2-CD1 3.68Å; L950-Y1021 HydrophobicContact CD2-CE1 3.27Å; T1019-Y1021 PolarHBondContact O-N 3.19Å; Y1021-T1023 PolarHBondContact O-N 2.64Å
1022P38.9Very low33.8Very low98 Ų98131 Ų13164%0.63670%0.702SS**  trans-65.7132.1-174.622.4-30000112
1023T39Very low33.8Very low84 Ų84131 Ų13152%0.51570%0.696SS.*  trans-74130173.6-34.60000109.8Y1021 Y1025Y1021-T1023 PolarHBondContact O-N 2.64Å; T1023-Y1025 HydrophobicContact CG2-CD2 4.08Å; T1023-Y1025 HydrophobicContact CG2-CE2 3.49Å; T1023-Y1025 VanDerWaalsContact CG2-CE2 3.49Å; T1023-Y1025 PolarHBondContact O-N 3.01Å
1024M30.8Very low34.2Very low102 Ų102132.3 Ų132.350%0.50269%0.689SS.*  trans-65.998.6-177-158.4-168.6-32.700111.1
1025Y28.7Very low34Very low183 Ų183135.1 Ų135.172%0.71869%0.687SS**  trans-125.4132.7177.2-75.5-73.7000113.1T1023T1023-Y1025 HydrophobicContact CG2-CD2 4.08Å; T1023-Y1025 HydrophobicContact CG2-CE2 3.49Å; T1023-Y1025 VanDerWaalsContact CG2-CE2 3.49Å; T1023-Y1025 PolarHBondContact O-N 3.01Å
1026L26.4Very low35.1Very low157 Ų157129.9 Ų129.982%0.82266%0.659SS**  trans47.2117.1154.8-74.2155.5000120.9P1028L1026-P1028 WeakPolarHBondContact O-CD 3.42Å
1027L23.9Very low35.1Very low142 Ų142130.9 Ų130.974%0.74365%0.649SS**PPolyproline II helixtrans-52.7120172.6-69.3153.6000113.4
1028P27.3Very low35.4Very low103 Ų103122.8 Ų122.867%0.66962%0.615SS**PPolyproline II helixtrans-93.8132.6164-121.4000111.5L1026L1026-P1028 WeakPolarHBondContact O-CD 3.42Å
1029Q27Very low35.8Very low184 Ų184120 Ų12086%0.8660%0.599SS**PPolyproline II helixtrans-83.2119.3165.2-71.4-178.9-22.900109.6
1030N34.3Very low36.1Very low150 Ų150120.9 Ų120.980%0.80261%0.607SS**  trans147.4131.9139.1-81.6-12.5000114.7
1031D32.6Very low35.8Very low119 Ų119117 Ų11764%0.63660%0.601SS**  trans-16.3130.8160.7-66.1-42.2000119F895F895-D1031 HydrophobicContact CE1-CB 4.46Å
1032S33.3Very low35.4Very low93 Ų93117 Ų11765%0.6561%0.609SS**  -173.8131110.226.70000111.4
1033E34.4Very low35.7Very low181 Ų181119.2 Ų119.285%0.84661%0.605SS**  trans6469.3159.4-57.8-170.8170.500119
1034L37.9Very low36Very low89 Ų89119 Ų11947%0.46662%0.62SS.*  trans-100102.8168.4-70.2164.5000111.5W1036L1034-W1036 PolarHBondContact O-N 2.96Å
1035K38.7Very low37Very low189 Ų189119 Ų11982%0.82263%0.626SS**THydrogen-bonded Turntrans-66.815.2171.4-90.7-176.1176.9178.40114.8
1036W50.4Low38.6Very low78 Ų78113 Ų11330%0.29561%0.606SS.*THydrogen-bonded Turntrans-114.217-164.8-43.6108.3000114.5Y928 S956 F958 H1000 L1034Y928-W1036 HydrophobicContact CD1-CB 4.39Å; S956-W1036 VanDerWaalsContact CB-CZ3 3.41Å; S956-W1036 VanDerWaalsContact OG-CE3 3.29Å; S956-W1036 WeakPolarHBondContact OG-CZ3 3.32Å; F958-W1036 HydrophobicContact CD2-CE3 4.1Å; F958-W1036 AromaticContact CD2-CZ3 3.89Å; F958-W1036 HydrophobicContact CD2-CZ3 3.89Å; F958-W1036 HydrophobicContact CE2-CE3 4.42Å; H1000-W1036 AromaticContact CE1-CZ2 3.76Å; H1000-W1036 AromaticContact NE2-CZ2 3.76Å; L1034-W1036 PolarHBondContact O-N 2.96Å
1037R38.8Very low40.5Very low132 Ų132105.8 Ų105.850%0.49857%0.569SS.*  trans-97122.5179.1-60.8-174.1177.9167.91.2110.4V926 E1039V926-R1037 HydrophobicContact CG1-CB 4.04Å; V926-R1037 HydrophobicContact CG1-CG 4.05Å; R1037-E1039 PolarHBondContact O-N 3.48Å
1038L41.1Very low42.4Very low39 Ų39102.9 Ų102.920%0.20456%0.559CS.*  trans-85.398.9161-89.1159.3000108L929 S1042 Y1043L929-L1038 HydrophobicContact CD1-CD1 3.73Å; L929-L1038 HydrophobicContact CG-CD1 4.46Å; L1038-S1042 WeakPolarHBondContact CD2-O 3.44Å; L1038-Y1043 HydrophobicContact CD2-CD2 4.43Å
1039E40.2Very low44.1Very low77 Ų77102 Ų10236%0.3655%0.548SS..  trans-76.3138156.8-71.4-65.2162.700107.8R1037 S1041 S1042R1037-E1039 PolarHBondContact O-N 3.48Å; E1039-S1041 PolarHBondContact O-N 3.23Å; E1039-S1042 PolarHBondContact O-N 3.03Å
1040P41.3Very low45.9Very low113 Ų11393.8 Ų93.873%0.73451%0.511SS*.THydrogen-bonded Turntrans-52.1-20.3-172.1-28.933.9000116.3
1041S41.2Very low47.2Very low88 Ų8891.1 Ų91.162%0.61549%0.493SS*.THydrogen-bonded Turntrans-95.3-7.6-179.252.60000115.5E1039E1039-S1041 PolarHBondContact O-N 3.23Å
1042S37.3Very low48.3Very low56 Ų5688.3 Ų88.339%0.39248%0.483SS..SBendtrans-113.1128.6-172.6-49.50000111L1038 E1039L1038-S1042 WeakPolarHBondContact CD2-O 3.44Å; E1039-S1042 PolarHBondContact O-N 3.03Å
1043Y44.8Very low49.2Very low144 Ų14489.2 Ų89.257%0.56548%0.477SS*.  trans88.735.6178.9-53.4-77.5000118.7L1038L1038-Y1043 HydrophobicContact CD2-CD2 4.43Å
1044G46.1Very low50.1Low80 Ų8084.4 Ų84.483%0.82546%0.456SS*.  trans-83.82.7172.500000117.1
1045T52.3Low50.8Low103 Ų10383 Ų8363%0.63245%0.448SS*.  trans-103109.5-174.648.70000112.2
1046L62.6Low51.3Low57 Ų5778.4 Ų78.430%0.29843%0.433SS..  trans-60.7152.2164.9-70.2166000110.3K972 T973 P1048K972-L1046 VanDerWaalsContact C-CD2 3.42Å; K972-L1046 VanDerWaalsContact CA-CD2 3.46Å; T973-L1046 HydrophobicContact CG2-CD2 4.37Å; L1046-P1048 WeakPolarHBondContact O-CD 3.43Å; L1046-P1048 VanDerWaalsContact O-N 3.15Å
1047C65.9Low51.2Low5 Ų582.1 Ų82.13%0.03446%0.459CS..  trans-63.7112174.9-174.50000111.4C965 Q969 M970 N1049 C1050 Q1051C965-C1047 HydrophobicContact CB-CB 4.48Å; C965-C1047 VanDerWaalsContact SG-CB 3.53Å; C965-C1047 PolarHBondContact SG-SG 3.29Å; Q969-C1047 HydrophobicContact CB-CB 3.82Å; Q969-C1047 VanDerWaalsContact OE1-CA 3.3Å; M970-C1047 PolarHBondContact O-N 3.49Å; C1047-N1049 VanDerWaalsContact C-N 3.29Å; C1047-N1049 PolarHBondContact O-N 2.88Å; C1047-C1050 HydrophobicContact CB-CB 4.14Å; C1047-Q1051 VanDerWaalsContact O-CB 3.24Å; C1047-Q1051 WeakPolarHBondContact O-CB 3.36Å; C1047-Q1051 PolarHBondContact O-N 3.39Å
1048P64.1Low52Low81 Ų8178.7 Ų78.753%0.52645%0.448SS..Hα-helixtrans-63.2-37.5-178.622.9-29.7000111.7L1046 Q1051 S1052L1046-P1048 WeakPolarHBondContact O-CD 3.43Å; L1046-P1048 VanDerWaalsContact O-N 3.15Å; P1048-Q1051 PolarHBondContact O-N 2.86Å; P1048-S1052 PolarHBondContact O-N 3.15Å; P1048-S1052 VanDerWaalsContact O-N 3.11Å; P1048-S1052 PolarHBondContact O-OG 3.44Å
1049N63Low53.2Low85 Ų8581.7 Ų81.746%0.45546%0.464SS..Hα-helixtrans-64.1-50.4-179.5-67.7-3.8000112.5H967 C1047 Q1051 S1052 E1053H967-N1049 PolarHBondContact CD2-ND2 2.96Å; H967-N1049 PolarHBondContact NE2-ND2 3.41Å; C1047-N1049 VanDerWaalsContact C-N 3.29Å; C1047-N1049 PolarHBondContact O-N 2.88Å; N1049-Q1051 VanDerWaalsContact C-N 3.3Å; N1049-Q1051 PolarHBondContact O-N 2.87Å; N1049-S1052 WeakPolarHBondContact CA-OG 3.33Å; N1049-S1052 PolarHBondContact O-N 3.16Å; N1049-S1052 PolarHBondContact O-OG 2.87Å; N1049-E1053 PolarHBondContact O-N 3.31Å
1050C64.4Low54.9Low10 Ų1079 Ų797%0.06845%0.451CS..Hα-helixtrans-71.3-28.1178.6-61.50000112.1C965 H967 C1047 S1052 E1053 I1054C965-C1050 HydrophobicContact CB-CB 4.31Å; C965-C1050 WeakPolarHBondContact CB-SG 3.42Å; H967-C1050 PolarHBondContact ND1-SG 3.39Å; C1047-C1050 HydrophobicContact CB-CB 4.14Å; C1050-S1052 VanDerWaalsContact C-N 3.31Å; C1050-S1052 PolarHBondContact O-N 3.19Å; C1050-E1053 PolarHBondContact O-N 2.87Å; C1050-I1054 VanDerWaalsContact O-CG1 3.29Å; C1050-I1054 WeakPolarHBondContact O-CG1 3.44Å; C1050-I1054 PolarHBondContact O-N 3.39Å
1051Q62.1Low56.7Low94 Ų9479.3 Ų79.344%0.43945%0.446SS..Hα-helixtrans-62.7-40.3173.2-170.7165.5-8.200110.8C1047 P1048 N1049 I1055C1047-Q1051 VanDerWaalsContact O-CB 3.24Å; C1047-Q1051 WeakPolarHBondContact O-CB 3.36Å; C1047-Q1051 PolarHBondContact O-N 3.39Å; P1048-Q1051 PolarHBondContact O-N 2.86Å; N1049-Q1051 VanDerWaalsContact C-N 3.3Å; N1049-Q1051 PolarHBondContact O-N 2.87Å; Q1051-I1055 HydrophobicContact CG-CD1 4.31Å; Q1051-I1055 VanDerWaalsContact O-CD1 3.23Å; Q1051-I1055 WeakPolarHBondContact O-CD1 3.17Å; Q1051-I1055 WeakPolarHBondContact O-CG1 3.44Å; Q1051-I1055 PolarHBondContact O-N 3Å
1052S55.5Low58.6Low60 Ų6079.7 Ų79.742%0.4244%0.441SS..Hα-helixtrans-63.8-37.9171.820.80000114P1048 N1049 C1050 I1055 N1056P1048-S1052 PolarHBondContact O-N 3.15Å; P1048-S1052 VanDerWaalsContact O-N 3.11Å; P1048-S1052 PolarHBondContact O-OG 3.44Å; N1049-S1052 WeakPolarHBondContact CA-OG 3.33Å; N1049-S1052 PolarHBondContact O-N 3.16Å; N1049-S1052 PolarHBondContact O-OG 2.87Å; C1050-S1052 VanDerWaalsContact C-N 3.31Å; C1050-S1052 PolarHBondContact O-N 3.19Å; S1052-I1055 WeakPolarHBondContact O-CB 3.2Å; S1052-I1055 PolarHBondContact O-N 3.47Å; S1052-N1056 PolarHBondContact O-N 3.35Å
1053E51.2Low60.7Low113 Ų11377.7 Ų77.753%0.52843%0.428SS..Hα-helixtrans-73.4-39.3178.7-74-174.3156.800113.5N1049 C1050 I1055 N1056 D1057N1049-E1053 PolarHBondContact O-N 3.31Å; C1050-E1053 PolarHBondContact O-N 2.87Å; E1053-I1055 PolarHBondContact O-N 3.01Å; E1053-N1056 WeakPolarHBondContact O-CA 3.46Å; E1053-N1056 WeakPolarHBondContact O-CB 3.28Å; E1053-N1056 PolarHBondContact O-N 3.29Å; E1053-D1057 PolarHBondContact O-N 3.4Å; E1053-D1057 VanDerWaalsContact O-N 3.13Å
1054I53.6Low62.5Low79 Ų7978.8 Ų78.841%0.40543%0.431SS..Hα-helixtrans-62.2-31.4173.7-67.9167000110.6C1050 N1056C1050-I1054 VanDerWaalsContact O-CG1 3.29Å; C1050-I1054 WeakPolarHBondContact O-CG1 3.44Å; C1050-I1054 PolarHBondContact O-N 3.39Å; I1054-N1056 VanDerWaalsContact C-N 3.34Å
1055I51.8Low64.4Low59 Ų5975.1 Ų75.130%0.30339%0.393SS..Hα-helixtrans-68.6-33.1172.4-68.7164.8000110.9Q1051 S1052 E1053 Q1256Q1051-I1055 HydrophobicContact CG-CD1 4.31Å; Q1051-I1055 VanDerWaalsContact O-CD1 3.23Å; Q1051-I1055 WeakPolarHBondContact O-CD1 3.17Å; Q1051-I1055 WeakPolarHBondContact O-CG1 3.44Å; Q1051-I1055 PolarHBondContact O-N 3Å; S1052-I1055 WeakPolarHBondContact O-CB 3.2Å; S1052-I1055 PolarHBondContact O-N 3.47Å; E1053-I1055 PolarHBondContact O-N 3.01Å; I1055-Q1256 HydrophobicContact CG2-CG 3.88Å; I1055-Q1256 VanDerWaalsContact O-CG 3.31Å; I1055-Q1256 WeakPolarHBondContact O-CG 3.48Å; I1055-Q1256 PolarHBondContact O-NE2 3.45Å
1056N50.1Low66Low93 Ų9374 Ų7450%0.49738%0.377SS..Hα-helixtrans-75.2-33179.6-75.4-24.5000114.2S1052 E1053 I1054 Q1058 I1059S1052-N1056 PolarHBondContact O-N 3.35Å; E1053-N1056 WeakPolarHBondContact O-CA 3.46Å; E1053-N1056 WeakPolarHBondContact O-CB 3.28Å; E1053-N1056 PolarHBondContact O-N 3.29Å; I1054-N1056 VanDerWaalsContact C-N 3.34Å; N1056-Q1058 PolarHBondContact O-N 2.94Å; N1056-I1059 VanDerWaalsContact O-CD1 3.32Å; N1056-I1059 WeakPolarHBondContact O-CD1 3.17Å; N1056-I1059 VanDerWaalsContact O-CG1 3.27Å; N1056-I1059 WeakPolarHBondContact O-CG1 3.39Å
1057D48.7Very low67.4Low156 Ų15671.3 Ų71.383%0.83436%0.363SS*.THydrogen-bonded Turntrans-73.9-6.4177.7-99.8-2.5000114E1053 I1059E1053-D1057 PolarHBondContact O-N 3.4Å; E1053-D1057 VanDerWaalsContact O-N 3.13Å; D1057-I1059 VanDerWaalsContact C-N 3.32Å; D1057-I1059 PolarHBondContact O-N 3.42Å
1058Q54.1Low68.5Low60 Ų6073.5 Ų73.528%0.2837%0.37SS..THydrogen-bonded Turntrans-9119.4176.8-67.2-171.512.600114N1056 F1060N1056-Q1058 PolarHBondContact O-N 2.94Å; Q1058-F1060 WeakPolarHBondContact O-CD1 3.47Å; Q1058-F1060 WeakPolarHBondContact O-CE1 3.37Å; Q1058-F1060 PolarHBondContact O-N 3.23Å
1059I66.2Low69.6Low103 Ų10372.7 Ų72.753%0.52836%0.361SS..  trans-74.8108.9174.9-62.2164.9000109.7N1056 D1057 S1217N1056-I1059 VanDerWaalsContact O-CD1 3.32Å; N1056-I1059 WeakPolarHBondContact O-CD1 3.17Å; N1056-I1059 VanDerWaalsContact O-CG1 3.27Å; N1056-I1059 WeakPolarHBondContact O-CG1 3.39Å; D1057-I1059 VanDerWaalsContact C-N 3.32Å; D1057-I1059 PolarHBondContact O-N 3.42Å; I1059-S1217 WeakPolarHBondContact CA-OG 3.25Å
1060F77.8Confident70.8Confident21 Ų2169.2 Ų69.29%0.09234%0.343CS..  trans-120.1147.1169.555.1-91.3000110.6Q1058 A1063 I1065 V1215 N1216 S1217 L1255 I1260Q1058-F1060 WeakPolarHBondContact O-CD1 3.47Å; Q1058-F1060 WeakPolarHBondContact O-CE1 3.37Å; Q1058-F1060 PolarHBondContact O-N 3.23Å; F1060-A1063 HydrophobicContact CB-CB 4.08Å; F1060-A1063 HydrophobicContact CD2-CB 3.29Å; F1060-A1063 HydrophobicContact CE2-CB 3.99Å; F1060-A1063 HydrophobicContact CG-CB 3.87Å; F1060-I1065 HydrophobicContact CE2-CD1 4.23Å; F1060-I1065 HydrophobicContact CZ-CD1 4.1Å; F1060-V1215 HydrophobicContact CE2-CG2 3.95Å; F1060-N1216 CarbonylContact O-C 3.59Å; F1060-N1216 WeakPolarHBondContact O-CA 3.26Å; F1060-S1217 PolarHBondContact N-OG 3.22Å; F1060-S1217 WeakPolarHBondContact O-CB 3.26Å; F1060-S1217 PolarHBondContact O-N 3.44Å; F1060-S1217 PolarHBondContact O-OG 2.75Å; F1060-L1255 HydrophobicContact CE2-CD1 4.41Å; F1060-L1255 HydrophobicContact CZ-CB 4.29Å; F1060-L1255 HydrophobicContact CZ-CD1 4.26Å; F1060-I1260 WeakPolarHBondContact CE1-O 3.37Å; F1060-I1260 VanDerWaalsContact CZ-O 3.25Å; F1060-I1260 WeakPolarHBondContact CZ-O 3.39Å
1061N78.9Confident71.4Confident118 Ų11874.7 Ų74.763%0.63138%0.377SS*.SBendtrans-121.5136.7172.9-70.9-26.7000109.3A1063 N1216N1061-A1063 PolarHBondContact O-N 2.88Å; N1061-N1216 WeakPolarHBondContact CA-OD1 3.42Å
1062N80Confident72.3Confident97 Ų9771 Ų7152%0.51936%0.364SS..SBendtrans56.533.5177.7-150.4-2.5000113.3K1214 V1215 N1216N1062-K1214 VanDerWaalsContact OD1-CD 3.23Å; N1062-K1214 WeakPolarHBondContact OD1-CD 3.34Å; N1062-K1214 WeakPolarHBondContact OD1-CE 3.29Å; N1062-K1214 PolarHBondContact OD1-NZ 3.31Å; N1062-V1215 CarbonylContact C-O 3.6Å; N1062-V1215 PolarHBondContact N-O 3.15Å; N1062-N1216 PolarHBondContact N-OD1 2.79Å
1063A80.6Confident73.4Confident14 Ų1472.5 Ų72.512%0.11636%0.363CS..EExtended strand (participates in β ladder)trans-76.4145.7177.300000110.5F1060 N1061 K1214 V1215F1060-A1063 HydrophobicContact CB-CB 4.08Å; F1060-A1063 HydrophobicContact CD2-CB 3.29Å; F1060-A1063 HydrophobicContact CE2-CB 3.99Å; F1060-A1063 HydrophobicContact CG-CB 3.87Å; N1061-A1063 PolarHBondContact O-N 2.88Å; A1063-K1214 WeakPolarHBondContact O-CA 3.31Å; A1063-V1215 PolarHBondContact N-O 3.01Å; A1063-V1215 PolarHBondContact O-N 3.48Å
1064R83Confident74.6Confident167 Ų16773.3 Ų73.363%0.6337%0.371SS*.EExtended strand (participates in β ladder)trans-91.5104.2171.5-79.2-173.9-177.2170.80.1110.3I1213 K1214R1064-I1213 VanDerWaalsContact CA-O 3.28Å; R1064-I1213 WeakPolarHBondContact CA-O 3.37Å; R1064-K1214 HydrophobicContact CG-CG 3.91Å
1065I85.7Confident75.8Confident2 Ų272.6 Ų72.61%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-86.1139.9170.1-65.2-171.1000108.7F1060 S1212 I1213 V1215 L1255 I1260 T1264 L1266F1060-I1065 HydrophobicContact CE2-CD1 4.23Å; F1060-I1065 HydrophobicContact CZ-CD1 4.1Å; I1065-S1212 WeakPolarHBondContact O-CA 3.23Å; I1065-I1213 PolarHBondContact N-O 3.39Å; I1065-I1213 VanDerWaalsContact N-O 3.08Å; I1065-I1213 PolarHBondContact O-N 2.93Å; I1065-I1213 VanDerWaalsContact O-N 3.12Å; I1065-V1215 HydrophobicContact CB-CG2 4.08Å; I1065-V1215 HydrophobicContact CD1-CG2 3.39Å; I1065-V1215 HydrophobicContact CG1-CG2 3.5Å; I1065-L1255 HydrophobicContact CD1-CD1 3.93Å; I1065-I1260 HydrophobicContact CD1-CG2 3.74Å; I1065-T1264 WeakPolarHBondContact CG2-O 3.5Å; I1065-L1266 HydrophobicContact CG2-CD1 3.86Å; I1065-L1266 HydrophobicContact CG2-CG 3.95Å
1066R87.6Confident77Confident80 Ų8069.8 Ų69.830%0.30235%0.351SS..EExtended strand (participates in β ladder)trans-91.6136.7174.7-67-173.9-159.2164.38.1109.4L1211 I1265 L1266R1066-L1211 CarbonylContact C-O 3.19Å; R1066-L1211 WeakPolarHBondContact CA-O 3.35Å; R1066-I1265 HydrophobicContact CB-CG1 4.32Å; R1066-I1265 WeakPolarHBondContact O-CA 3.16Å; R1066-L1266 PolarHBondContact O-N 3.45Å
1067I90.5Very high78.1Confident1 Ų168.4 Ų68.41%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-119.7122.1176.2-59.5-175000107.3D1210 L1211 I1213 L1228 L1266 L1268I1067-D1210 CarbonylContact O-C 3.44Å; I1067-D1210 WeakPolarHBondContact O-CA 3.49Å; I1067-L1211 HydrophobicContact CB-CD1 3.6Å; I1067-L1211 HydrophobicContact CB-CD2 4.45Å; I1067-L1211 HydrophobicContact CB-CG 3.76Å; I1067-L1211 HydrophobicContact CD1-CD1 4.05Å; I1067-L1211 HydrophobicContact CG1-CD1 4.15Å; I1067-L1211 HydrophobicContact CG2-CD1 4.12Å; I1067-L1211 HydrophobicContact CG2-CD2 4.26Å; I1067-L1211 HydrophobicContact CG2-CG 4.12Å; I1067-L1211 PolarHBondContact N-O 2.89Å; I1067-L1211 PolarHBondContact O-N 2.82Å; I1067-I1213 HydrophobicContact CD1-CD1 3.44Å; I1067-I1213 VanDerWaalsContact CD1-CD1 3.44Å; I1067-I1213 HydrophobicContact CD1-CG1 3.71Å; I1067-I1213 HydrophobicContact CD1-CG2 4.33Å; I1067-I1213 HydrophobicContact CG1-CD1 4.47Å; I1067-I1213 HydrophobicContact CG1-CG1 4.33Å; I1067-L1228 HydrophobicContact CD1-CD1 3.85Å; I1067-L1228 HydrophobicContact CD1-CD2 3.5Å; I1067-L1228 VanDerWaalsContact CD1-CD2 3.5Å; I1067-L1228 HydrophobicContact CD1-CG 3.89Å; I1067-L1228 HydrophobicContact CG2-CD2 4.42Å; I1067-L1266 CarbonylContact C-O 3.44Å; I1067-L1266 VanDerWaalsContact CA-O 3.28Å; I1067-L1266 WeakPolarHBondContact CA-O 3.26Å; I1067-L1266 HydrophobicContact CG1-CB 4.34Å; I1067-L1268 HydrophobicContact CG2-CB 3.67Å; I1067-L1268 HydrophobicContact CG2-CD2 3.89Å; I1067-L1268 HydrophobicContact CG2-CG 4.49Å
1068R89.3Confident79.3Confident50 Ų5064.2 Ų64.219%0.18933%0.326CS..EExtended strand (participates in β ladder)trans-99.9120.9177177.7164.2-70.6168.15.1109V1070 D1210 I1265 L1266 Y1267 L1268R1068-V1070 HydrophobicContact CG-CG1 4.22Å; R1068-D1210 WeakPolarHBondContact CB-OD1 3.24Å; R1068-D1210 WeakPolarHBondContact CG-OD1 3.35Å; R1068-D1210 IonicContact CZ-OD1 3.34Å; R1068-D1210 IonicContact CZ-OD2 2.73Å; R1068-D1210 IonicContact NE-OD1 2.67Å; R1068-D1210 PolarHBondContact NE-OD1 2.8Å; R1068-D1210 IonicContact NE-OD2 3.76Å; R1068-D1210 IonicContact NH2-OD1 3.79Å; R1068-D1210 PolarHBondContact NH2-OD1 3.49Å; R1068-D1210 IonicContact NH2-OD2 3.55Å; R1068-D1210 PolarHBondContact NH2-OD2 3.48Å; R1068-I1265 HydrophobicContact CB-CG2 4.11Å; R1068-L1266 PolarHBondContact N-O 2.86Å; R1068-Y1267 HydrophobicContact CB-CD1 4.07Å; R1068-Y1267 HydrophobicContact CB-CE1 4.37Å; R1068-Y1267 HydrophobicContact CG-CD1 4.24Å; R1068-Y1267 HydrophobicContact CG-CE1 4.45Å; R1068-Y1267 WeakPolarHBondContact O-CA 3.15Å; R1068-L1268 PolarHBondContact O-N 2.88Å
1069L88.5Confident80.3Confident64 Ų6462.4 Ų62.434%0.33532%0.32SS..EExtended strand (participates in β ladder)trans-74.1128.1174.1-62.8172.6000110K1209 L1211 L1232 L1268L1069-K1209 PolarHBondContact N-O 3.07Å; L1069-K1209 VanDerWaalsContact N-O 3.08Å; L1069-L1211 HydrophobicContact CD1-CD2 4.02Å; L1069-L1211 HydrophobicContact CD2-CD2 3.85Å; L1069-L1211 HydrophobicContact CG-CD2 3.85Å; L1069-L1232 HydrophobicContact CD1-CD2 4.26Å; L1069-L1232 HydrophobicContact CD2-CD1 4.05Å; L1069-L1232 HydrophobicContact CD2-CD2 4.02Å; L1069-L1268 WeakPolarHBondContact CA-O 3.29Å; L1069-L1268 HydrophobicContact CD2-CB 4.46Å; L1069-L1268 HydrophobicContact CD2-CD2 3.97Å; L1069-L1268 HydrophobicContact CD2-CG 4.3Å
1070V86.3Confident80.5Confident13 Ų1357.9 Ų57.98%0.07930%0.298CS..  trans-130.7157.6178.3-66.60000109.4R1068 E1075 A1076 Y1267 L1268 W1269R1068-V1070 HydrophobicContact CG-CG1 4.22Å; V1070-E1075 WeakPolarHBondContact CA-OE2 3.3Å; V1070-E1075 HydrophobicContact CB-CB 4.23Å; V1070-E1075 HydrophobicContact CB-CG 4.17Å; V1070-E1075 HydrophobicContact CG1-CG 4.07Å; V1070-A1076 HydrophobicContact CB-CB 4.47Å; V1070-A1076 HydrophobicContact CG2-CB 3.69Å; V1070-Y1267 HydrophobicContact CG1-CD1 4.06Å; V1070-L1268 PolarHBondContact N-O 3.47Å; V1070-W1269 HydrophobicContact CG2-CB 4.17Å; V1070-W1269 HydrophobicContact CG2-CE3 4.05Å; V1070-W1269 WeakPolarHBondContact O-CB 3.24Å
1071T78.5Confident79.9Confident125 Ų12560.7 Ų60.777%0.76732%0.317SS*.SBendtrans-86-7.9-175.361.90000113.7E1075T1071-E1075 PolarHBondContact N-OE2 3.18Å; T1071-E1075 PolarHBondContact OG1-OE2 3.42Å
1072G81.4Confident79.1Confident16 Ų1660.8 Ų60.817%0.16531%0.313CS..SBendtrans170.9179.3179.800000112.9D1074 E1075 A1076G1072-D1074 PolarHBondContact O-N 2.92Å; G1072-E1075 PolarHBondContact O-N 3.42Å; G1072-A1076 WeakPolarHBondContact O-CB 3.42Å; G1072-A1076 PolarHBondContact O-N 2.84Å; G1072-A1076 VanDerWaalsContact O-N 3.15Å
1073F78.1Confident78Confident92 Ų9258.1 Ų58.140%0.40430%0.302SS..Hα-helixtrans-55.6-42.4-175.9-176.7-94.5000113.6A1076 L1077 M1242 W1269F1073-A1076 VanDerWaalsContact O-CB 3.3Å; F1073-A1076 WeakPolarHBondContact O-CB 3.47Å; F1073-A1076 PolarHBondContact O-N 3.07Å; F1073-L1077 HydrophobicContact CE1-CD2 4.11Å; F1073-L1077 WeakPolarHBondContact O-CB 3.31Å; F1073-L1077 PolarHBondContact O-N 2.65Å; F1073-M1242 HydrophobicContact CD2-SD 4.33Å; F1073-M1242 HydrophobicContact CE2-SD 3.92Å; F1073-W1269 HydrophobicContact CB-CH2 4.37Å; F1073-W1269 HydrophobicContact CB-CZ2 4.02Å; F1073-W1269 AromaticContact CD2-CH2 3.8Å; F1073-W1269 HydrophobicContact CD2-CH2 3.8Å; F1073-W1269 HydrophobicContact CD2-CZ2 4.02Å
1074D75.9Confident76.7Confident130 Ų13062.4 Ų62.470%0.69532%0.318SS*.Hα-helixtrans-66.8-42.3-177.2-67.4-30.7000113.3G1072 A1076 L1077 S1078G1072-D1074 PolarHBondContact O-N 2.92Å; D1074-A1076 VanDerWaalsContact C-N 3.28Å; D1074-A1076 PolarHBondContact O-N 3.32Å; D1074-L1077 PolarHBondContact O-N 3.21Å; D1074-S1078 VanDerWaalsContact O-CB 3.27Å; D1074-S1078 WeakPolarHBondContact O-CB 3.32Å; D1074-S1078 PolarHBondContact O-N 3.39Å
1075E79.1Confident74.8Confident63 Ų6358.8 Ų58.829%0.29431%0.311SS..Hα-helixtrans-65.1-38.3174.7-173.8-173.9-171.700109.9V1070 T1071 G1072 S1079 K1209V1070-E1075 WeakPolarHBondContact CA-OE2 3.3Å; V1070-E1075 HydrophobicContact CB-CB 4.23Å; V1070-E1075 HydrophobicContact CB-CG 4.17Å; V1070-E1075 HydrophobicContact CG1-CG 4.07Å; T1071-E1075 PolarHBondContact N-OE2 3.18Å; T1071-E1075 PolarHBondContact OG1-OE2 3.42Å; G1072-E1075 PolarHBondContact O-N 3.42Å; E1075-S1079 WeakPolarHBondContact O-CB 3.31Å; E1075-S1079 PolarHBondContact O-N 3.21Å; E1075-S1079 PolarHBondContact O-OG 3.05Å; E1075-K1209 IonicContact OE1-NZ 3.6Å; E1075-K1209 PolarHBondContact OE1-NZ 3.39Å; E1075-K1209 IonicContact OE2-NZ 3.21Å
1076A76.6Confident72.8Confident0 Ų061.7 Ų61.70%033%0.329CS..Hα-helixtrans-61.5-46.5176.200000111V1070 G1072 F1073 D1074 S1079 C1080 M1242 W1269V1070-A1076 HydrophobicContact CB-CB 4.47Å; V1070-A1076 HydrophobicContact CG2-CB 3.69Å; G1072-A1076 WeakPolarHBondContact O-CB 3.42Å; G1072-A1076 PolarHBondContact O-N 2.84Å; G1072-A1076 VanDerWaalsContact O-N 3.15Å; F1073-A1076 VanDerWaalsContact O-CB 3.3Å; F1073-A1076 WeakPolarHBondContact O-CB 3.47Å; F1073-A1076 PolarHBondContact O-N 3.07Å; D1074-A1076 VanDerWaalsContact C-N 3.28Å; D1074-A1076 PolarHBondContact O-N 3.32Å; A1076-S1079 PolarHBondContact O-N 3.41Å; A1076-C1080 WeakPolarHBondContact O-CB 3.19Å; A1076-C1080 PolarHBondContact O-N 2.82Å; A1076-M1242 HydrophobicContact CB-CE 3.25Å; A1076-M1242 WeakPolarHBondContact O-CE 3.39Å; A1076-W1269 HydrophobicContact CB-CE3 4.15Å; A1076-W1269 HydrophobicContact CB-CZ3 3.99Å
1077L73.9Confident70.7Confident65 Ų6561 Ų6134%0.3434%0.336SS..Hα-helixtrans-70-47.1-176.9-176.263.9000110.6F1073 D1074 S1079 C1080 V1081 M1242F1073-L1077 HydrophobicContact CE1-CD2 4.11Å; F1073-L1077 WeakPolarHBondContact O-CB 3.31Å; F1073-L1077 PolarHBondContact O-N 2.65Å; D1074-L1077 PolarHBondContact O-N 3.21Å; L1077-S1079 VanDerWaalsContact C-N 3.34Å; L1077-S1079 PolarHBondContact O-N 2.94Å; L1077-C1080 WeakPolarHBondContact O-CB 3.47Å; L1077-C1080 PolarHBondContact O-N 2.87Å; L1077-C1080 VanDerWaalsContact O-N 3.16Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.48Å; L1077-V1081 PolarHBondContact O-N 3.34Å; L1077-M1242 HydrophobicContact CB-CE 4.23Å; L1077-M1242 VanDerWaalsContact N-CE 3.27Å
1078S73.3Confident68.1Low67 Ų6764.9 Ų64.947%0.46936%0.36SS..Hα-helixtrans-58-46175.3-175.20000111.5D1074 C1080 V1081 Q1082D1074-S1078 VanDerWaalsContact O-CB 3.27Å; D1074-S1078 WeakPolarHBondContact O-CB 3.32Å; D1074-S1078 PolarHBondContact O-N 3.39Å; S1078-C1080 VanDerWaalsContact C-N 3.32Å; S1078-C1080 PolarHBondContact O-N 2.51Å; S1078-V1081 PolarHBondContact O-N 3.45Å; S1078-Q1082 WeakPolarHBondContact O-CB 3.4Å; S1078-Q1082 PolarHBondContact O-N 2.92Å
1079S74.6Confident65.4Low22 Ų2267.6 Ų67.615%0.15437%0.374CS..Hα-helixtrans-66-32.5177.5-63.90000113.2E1075 A1076 L1077 S1083 Y1267E1075-S1079 WeakPolarHBondContact O-CB 3.31Å; E1075-S1079 PolarHBondContact O-N 3.21Å; E1075-S1079 PolarHBondContact O-OG 3.05Å; A1076-S1079 PolarHBondContact O-N 3.41Å; L1077-S1079 VanDerWaalsContact C-N 3.34Å; L1077-S1079 PolarHBondContact O-N 2.94Å; S1079-S1083 WeakPolarHBondContact O-CB 3.13Å; S1079-S1083 PolarHBondContact O-N 2.85Å; S1079-S1083 PolarHBondContact O-OG 3.34Å; S1079-Y1267 VanDerWaalsContact CB-CE1 3.41Å; S1079-Y1267 PolarHBondContact O-OH 2.91Å; S1079-Y1267 VanDerWaalsContact O-OH 3.04Å
1080C70.1Confident62.7Low8 Ų869.7 Ų69.75%0.05439%0.386CS..Hα-helixtrans-69.6-35174.5-171.10000111.8A1076 L1077 S1078 S1083 G1245 Y1267A1076-C1080 WeakPolarHBondContact O-CB 3.19Å; A1076-C1080 PolarHBondContact O-N 2.82Å; L1077-C1080 WeakPolarHBondContact O-CB 3.47Å; L1077-C1080 PolarHBondContact O-N 2.87Å; L1077-C1080 VanDerWaalsContact O-N 3.16Å; S1078-C1080 VanDerWaalsContact C-N 3.32Å; S1078-C1080 PolarHBondContact O-N 2.51Å; C1080-S1083 PolarHBondContact O-OG 2.87Å; C1080-S1083 VanDerWaalsContact O-OG 3.12Å; C1080-G1245 PolarHBondContact SG-N 2.88Å; C1080-Y1267 HydrophobicContact CB-CE2 4.03Å
1081V66.3Low60Low81 Ų8173.5 Ų73.549%0.49141%0.413SS..Hα-helixtrans-71.5-41.8174.3173.60000110.8L1077 S1078 K1084 L1085L1077-V1081 WeakPolarHBondContact O-CG2 3.48Å; L1077-V1081 PolarHBondContact O-N 3.34Å; S1078-V1081 PolarHBondContact O-N 3.45Å; V1081-K1084 PolarHBondContact O-N 3.08Å; V1081-L1085 HydrophobicContact CG1-CD1 4Å; V1081-L1085 PolarHBondContact O-N 3.48Å
1082Q60.9Low57.7Low119 Ų11973 Ų7356%0.55641%0.406SS*.Hα-helixtrans-75-32-175.1-149.615810.100113.3S1078 K1084 L1085 T1086S1078-Q1082 WeakPolarHBondContact O-CB 3.4Å; S1078-Q1082 PolarHBondContact O-N 2.92Å; Q1082-K1084 VanDerWaalsContact C-N 3.31Å; Q1082-L1085 PolarHBondContact O-N 3.19Å; Q1082-T1086 PolarHBondContact O-N 3.11Å; Q1082-T1086 PolarHBondContact O-OG1 3.08Å
1083S58.6Low55.1Low41 Ų4178.7 Ų78.729%0.28743%0.432SS..Hα-helixtrans-64.3-35.6170.6680000111.9S1079 C1080 T1086 S1087 Y1267S1079-S1083 WeakPolarHBondContact O-CB 3.13Å; S1079-S1083 PolarHBondContact O-N 2.85Å; S1079-S1083 PolarHBondContact O-OG 3.34Å; C1080-S1083 PolarHBondContact O-OG 2.87Å; C1080-S1083 VanDerWaalsContact O-OG 3.12Å; S1083-T1086 WeakPolarHBondContact CA-OG1 3.15Å; S1083-T1086 PolarHBondContact O-OG1 3.24Å; S1083-T1086 VanDerWaalsContact O-OG1 3.07Å; S1083-S1087 PolarHBondContact O-N 3.03Å; S1083-S1087 VanDerWaalsContact O-N 3.11Å; S1083-Y1267 PolarHBondContact OG-OH 3.38Å
1084K52.9Low52.7Low104 Ų10479.8 Ų79.845%0.45245%0.45SS..Hα-helixtrans-69-42.3172.6-72.1-179.4179.2179.10111.6V1081 Q1082 T1086 S1087 V1088V1081-K1084 PolarHBondContact O-N 3.08Å; Q1082-K1084 VanDerWaalsContact C-N 3.31Å; K1084-T1086 PolarHBondContact O-N 2.81Å; K1084-S1087 PolarHBondContact O-N 3.38Å; K1084-S1087 PolarHBondContact O-OG 3.2Å; K1084-V1088 WeakPolarHBondContact O-CG2 3.46Å; K1084-V1088 PolarHBondContact O-N 3.46Å
1085L42.6Very low50.3Low91 Ų9179 Ų7948%0.47645%0.45SS..Hα-helixtrans-61.1-41.9175.1-108.6127.5000113.4V1081 Q1082 V1088 Q1089V1081-L1085 HydrophobicContact CG1-CD1 4Å; V1081-L1085 PolarHBondContact O-N 3.48Å; Q1082-L1085 PolarHBondContact O-N 3.19Å; L1085-V1088 PolarHBondContact O-N 2.85Å; L1085-Q1089 PolarHBondContact O-N 3.31Å
1086T43.7Very low47.7Very low64 Ų6481.1 Ų81.139%0.39347%0.471SS..Hα-helixtrans-70.1-34.7177.442.40000112.2Q1082 S1083 K1084 V1088 Q1089 D1090Q1082-T1086 PolarHBondContact O-N 3.11Å; Q1082-T1086 PolarHBondContact O-OG1 3.08Å; S1083-T1086 WeakPolarHBondContact CA-OG1 3.15Å; S1083-T1086 PolarHBondContact O-OG1 3.24Å; S1083-T1086 VanDerWaalsContact O-OG1 3.07Å; K1084-T1086 PolarHBondContact O-N 2.81Å; T1086-V1088 PolarHBondContact O-N 3.41Å; T1086-Q1089 PolarHBondContact O-N 3.36Å; T1086-D1090 WeakPolarHBondContact O-CB 3.43Å; T1086-D1090 PolarHBondContact O-N 3.36Å
1087S44.2Very low45.2Very low65 Ų6590.3 Ų90.346%0.45551%0.514SS..Hα-helixtrans-62.6-31170.985.50000112.7S1083 K1084 S1091S1083-S1087 PolarHBondContact O-N 3.03Å; S1083-S1087 VanDerWaalsContact O-N 3.11Å; K1084-S1087 PolarHBondContact O-N 3.38Å; K1084-S1087 PolarHBondContact O-OG 3.2Å; S1087-S1091 PolarHBondContact O-N 2.95Å; S1087-S1091 PolarHBondContact O-OG 3.31Å
1088V35.7Very low42.8Very low83 Ų8393.9 Ų93.950%0.50353%0.534SS..Hα-helixtrans-78-38.6175.7175.70000111.3K1084 L1085 T1086 S1091 L1092K1084-V1088 WeakPolarHBondContact O-CG2 3.46Å; K1084-V1088 PolarHBondContact O-N 3.46Å; L1085-V1088 PolarHBondContact O-N 2.85Å; T1086-V1088 PolarHBondContact O-N 3.41Å; V1088-S1091 WeakPolarHBondContact O-CB 3.16Å; V1088-S1091 PolarHBondContact O-N 2.86Å; V1088-L1092 HydrophobicContact CG1-CD1 4.09Å; V1088-L1092 PolarHBondContact O-N 3.37Å
1089Q32.3Very low40.5Very low106 Ų106100.5 Ų100.550%0.49555%0.554SS.*Hα-helixtrans-67.6-37.3174.2-83.8172.7-43.300113L1085 T1086 S1091 L1092 N1093L1085-Q1089 PolarHBondContact O-N 3.31Å; T1086-Q1089 PolarHBondContact O-N 3.36Å; Q1089-S1091 PolarHBondContact O-N 3.36Å; Q1089-L1092 PolarHBondContact O-N 2.71Å; Q1089-N1093 PolarHBondContact O-N 2.88Å; Q1089-N1093 VanDerWaalsContact O-N 3.08Å
1090D31.5Very low37.9Very low109 Ų109109.3 Ų109.358%0.58359%0.593SS**Hα-helixtrans-67.3-26.9174.1-78.3-15.5000112T1086T1086-D1090 WeakPolarHBondContact O-CB 3.43Å; T1086-D1090 PolarHBondContact O-N 3.36Å
1091S30.9Very low35.7Very low92 Ų92112.3 Ų112.364%0.64362%0.619SS**Hα-helixtrans-76.4-31.2173.1-55.10000112.7S1087 V1088 Q1089S1087-S1091 PolarHBondContact O-N 2.95Å; S1087-S1091 PolarHBondContact O-OG 3.31Å; V1088-S1091 WeakPolarHBondContact O-CB 3.16Å; V1088-S1091 PolarHBondContact O-N 2.86Å; Q1089-S1091 PolarHBondContact O-N 3.36Å
1092L28.6Very low33.6Very low116 Ų116115.7 Ų115.761%0.60763%0.634SS**Hα-helixtrans-77.6-29.2177.5-83.1154.2000113.1V1088 Q1089 C1094 V1095V1088-L1092 HydrophobicContact CG1-CD1 4.09Å; V1088-L1092 PolarHBondContact O-N 3.37Å; Q1089-L1092 PolarHBondContact O-N 2.71Å; L1092-C1094 PolarHBondContact O-N 3.45Å; L1092-C1094 VanDerWaalsContact O-N 3.14Å; L1092-V1095 PolarHBondContact O-N 3.37Å
1093N27.7Very low31.8Very low134 Ų134117 Ų11772%0.71765%0.65SS**THydrogen-bonded Turntrans-77.98.8-178.4-77.7-21.5000115.1Q1089Q1089-N1093 PolarHBondContact O-N 2.88Å; Q1089-N1093 VanDerWaalsContact O-N 3.08Å
1094C27.5Very low30Very low115 Ų115124 Ų12478%0.77768%0.678SS**THydrogen-bonded Turntrans-99.13.3172.1-74.60000114.5L1092L1092-C1094 PolarHBondContact O-N 3.45Å; L1092-C1094 VanDerWaalsContact O-N 3.14Å
1095V25.5Very low28.5Very low115 Ų115126.3 Ų126.370%0.69769%0.694SS**SBendtrans-133.2124.6170.6-174.40000109.1L1092L1092-V1095 PolarHBondContact O-N 3.37Å
1096S25Very low27.5Very low107 Ų107128.1 Ų128.175%0.74871%0.713SS**  trans97.273.1174.5-32.80000115.8
1097Q24.1Very low26.3Very low193 Ų193129.4 Ų129.490%0.90272%0.724SS**  trans-102.377.9143-80.3-173-22.700106.9
1098D23.3Very low25.3Very low140 Ų140135.1 Ų135.175%0.74974%0.744SS**  trans-164.5135.7157.4-87.3-33000105.3
1099F24.6Very low24.7Very low205 Ų205135.9 Ų135.990%0.89975%0.75SS**  trans89.565-167.2-58.3-78.3000116.4
1100Q20.8Very low24.1Very low207 Ų207137 Ų13797%0.96777%0.765SS**  trans-96.398137.9-82.1-175.5-3300107.6
1101A22.7Very low23.6Very low72 Ų72137.2 Ų137.260%0.59577%0.77SS**  trans-160.7120.9156.700000108
1102D21.6Very low23.1Very low152 Ų152140.1 Ų140.181%0.81378%0.778SS**  trans65.389.7156.4-48.4-25.8000118.4
1103T25Very low22.8Very low145 Ų145140.9 Ų140.989%0.8979%0.788SS**  trans-152101.9136-2.50000108.3
1104E20.9Very low22.4Very low189 Ų189141.8 Ų141.888%0.88379%0.791SS**  trans-59.1138.8179.3-72175.4141.500111.7C1106E1104-C1106 PolarHBondContact O-N 3.33Å; E1104-C1106 VanDerWaalsContact O-N 3.13Å
1105I20.3Very low22.1Very low153 Ų153143.4 Ų143.479%0.78579%0.79SS**  trans-63105.8165.5-65.6165.4000107.4S1107I1105-S1107 PolarHBondContact O-N 2.98Å
1106C21.2Very low21.9Very low128 Ų128143.1 Ų143.187%0.86579%0.791SS**  trans-84.795156.5-168.80000107.9E1104E1104-C1106 PolarHBondContact O-N 3.33Å; E1104-C1106 VanDerWaalsContact O-N 3.13Å
1107S19.2Very low21.7Very low91 Ų91145.1 Ų145.164%0.63679%0.793SS**  trans-91.4113.5164.9460000108.8I1105I1105-S1107 PolarHBondContact O-N 2.98Å
1108Q22.4Very low21.7Very low185 Ų185141.2 Ų141.286%0.86478%0.783SS**  trans-152.2151.9147.5-83.9-132.9-8.100111.9
1109P24.6Very low21.8Very low99 Ų99140.3 Ų140.364%0.64379%0.787SS**  trans-104.9-173.6-158.639.4-28.5000113.2
1110T19.7Very low22.1Very low129 Ų129136.2 Ų136.279%0.79178%0.775SS**  trans87.4133.9178.573.60000112.6
1111T20.3Very low22.5Very low115 Ų115133.5 Ų133.571%0.70676%0.762SS**  cis-164.2164.929.3-23.20000108.4
1112D19.8Very low22.8Very low152 Ų152138.4 Ų138.481%0.81377%0.773SS**  trans-31.2124177.1-56.5-61000116.3
1113V21.8Very low23.1Very low133 Ų133136 Ų13681%0.80676%0.758SS**  trans-110.7104162.3179.40000108I1115V1113-I1115 PolarHBondContact O-N 2.72Å
1114I19.6Very low23.4Very low152 Ų152133.5 Ų133.578%0.77974%0.739SS**  trans-57.1112.4167.4-64.4165.3000107.5P1116I1114-P1116 WeakPolarHBondContact O-CD 3.31Å
1115I21.8Very low23.9Very low149 Ų149130 Ų13076%0.76473%0.727SS**PPolyproline II helixtrans-78.8116.8169-60.3174.5000106.4V1113V1113-I1115 PolarHBondContact O-N 2.72Å
1116P21.2Very low24.4Very low110 Ų110128.6 Ų128.671%0.71472%0.72SS**PPolyproline II helixtrans-69.8137.1-179.326.8-30.2000110.7I1114I1114-P1116 WeakPolarHBondContact O-CD 3.31Å
1117N21.2Very low24.9Very low148 Ų148130 Ų13079%0.79171%0.707SS**PPolyproline II helixtrans-52.2131.6171.6-83.4-26.5000112.5
1118T23Very low25.5Very low112 Ų112132.8 Ų132.869%0.68771%0.71SS**  trans36.5120.6132.659.70000118.4
1119S26.3Very low25.9Very low120 Ų120128.8 Ų128.884%0.83969%0.694SS**  trans-112.8133.8147.159.70000109.1Q1121S1119-Q1121 PolarHBondContact O-N 3.49Å
1120D30.8Very low26.2Very low119 Ų119130.4 Ų130.464%0.63669%0.69SS**SBendtrans-84.584.7-159-66.3-64.9000113.5
1121Q29.6Very low26.7Very low151 Ų151128 Ų12871%0.70667%0.673SS**SBendtrans-142.6-11.2169.8-115.7167.95.100116.4S1119S1119-Q1121 PolarHBondContact O-N 3.49Å
1122E28.9Very low27.4Very low174 Ų174129.8 Ų129.881%0.81367%0.667SS**SBendtrans-86.8-8.5168.8-71.3-176.8152.200113
1123M28.1Very low27.8Very low103 Ų103128.8 Ų128.851%0.50766%0.656SS.*Hα-helixtrans-78.1-19176.5-88.4-108-60.900114.3R1127M1123-R1127 WeakPolarHBondContact O-CB 3.35Å; M1123-R1127 PolarHBondContact O-N 3.23Å
1124D31.6Very low28.1Very low91 Ų91126.1 Ų126.149%0.48764%0.638SS.*Hα-helixtrans-79-35.7-176-77.3-22.8000112.7L1126 R1127 E1128D1124-L1126 PolarHBondContact O-N 3.16Å; D1124-R1127 WeakPolarHBondContact O-CB 3.41Å; D1124-R1127 PolarHBondContact O-N 2.72Å; D1124-E1128 PolarHBondContact O-N 2.86Å
1125N29.8Very low28.6Very low117 Ų117126.1 Ų126.163%0.62663%0.632SS**Hα-helixtrans-70.6-32.8175.5-68.3-22.3000112.2I1129N1125-I1129 WeakPolarHBondContact O-CG1 3.48Å; N1125-I1129 PolarHBondContact O-N 3.21Å
1126L31.3Very low28.9Very low122 Ų122128.3 Ų128.364%0.63963%0.63SS**Hα-helixtrans-77.4-26.9172.6-77.5167000112.2D1124 K1130D1124-L1126 PolarHBondContact O-N 3.16Å; L1126-K1130 WeakPolarHBondContact O-CB 3.47Å; L1126-K1130 PolarHBondContact O-N 3.15Å
1127R31Very low29.2Very low157 Ų157127.6 Ų127.659%0.59263%0.627SS**Hα-helixtrans-67.5-41.2170.3-99.5-178.8179.9-173.80.8111.8M1123 D1124 I1129 K1130 D1131M1123-R1127 WeakPolarHBondContact O-CB 3.35Å; M1123-R1127 PolarHBondContact O-N 3.23Å; D1124-R1127 WeakPolarHBondContact O-CB 3.41Å; D1124-R1127 PolarHBondContact O-N 2.72Å; R1127-I1129 VanDerWaalsContact C-N 3.32Å; R1127-I1129 PolarHBondContact O-N 3.2Å; R1127-K1130 PolarHBondContact O-N 2.9Å; R1127-D1131 WeakPolarHBondContact O-CB 3.26Å; R1127-D1131 PolarHBondContact O-N 3.24Å
1128E31.8Very low29.4Very low150 Ų150126.5 Ų126.570%0.70162%0.621SS**Hα-helixtrans-67.7-35.9-179-151.4171-155.500112D1124 Y1132D1124-E1128 PolarHBondContact O-N 2.86Å; E1128-Y1132 VanDerWaalsContact O-CB 3.3Å; E1128-Y1132 WeakPolarHBondContact O-CB 3.45Å; E1128-Y1132 PolarHBondContact O-N 3.24Å
1129I31.3Very low29.5Very low102 Ų102129 Ų12952%0.52363%0.631SS.*Hα-helixtrans-69.8-41.3173.3-63.9170.7000110.9N1125 R1127 Y1132 F1133N1125-I1129 WeakPolarHBondContact O-CG1 3.48Å; N1125-I1129 PolarHBondContact O-N 3.21Å; R1127-I1129 VanDerWaalsContact C-N 3.32Å; R1127-I1129 PolarHBondContact O-N 3.2Å; I1129-Y1132 WeakPolarHBondContact O-CB 3.48Å; I1129-Y1132 PolarHBondContact O-N 3.25Å; I1129-F1133 HydrophobicContact CG2-CD2 4.22Å; I1129-F1133 HydrophobicContact CG2-CE2 4.35Å; I1129-F1133 VanDerWaalsContact O-CD2 3.31Å; I1129-F1133 WeakPolarHBondContact O-CD2 3.36Å; I1129-F1133 PolarHBondContact O-N 2.75Å; I1129-F1133 VanDerWaalsContact O-N 3.14Å
1130K30.9Very low29.3Very low132 Ų132130.8 Ų130.857%0.57463%0.63SS**Hα-helixtrans-71.1-36.3177.9-167.4-176.3175.7-157.60112.3L1126 R1127 Y1132 F1133 D1134L1126-K1130 WeakPolarHBondContact O-CB 3.47Å; L1126-K1130 PolarHBondContact O-N 3.15Å; R1127-K1130 PolarHBondContact O-N 2.9Å; K1130-Y1132 VanDerWaalsContact C-N 3.31Å; K1130-F1133 CarbonylContact O-C 3.58Å; K1130-F1133 PolarHBondContact O-N 3.11Å; K1130-D1134 WeakPolarHBondContact CE-OD2 3.45Å; K1130-D1134 WeakPolarHBondContact CG-OD2 3.42Å; K1130-D1134 VanDerWaalsContact O-CB 3.28Å; K1130-D1134 WeakPolarHBondContact O-CB 3.08Å; K1130-D1134 PolarHBondContact O-N 3.32Å
1131D31.5Very low28.9Very low79 Ų79134 Ų13442%0.42264%0.641SS.*Hα-helixtrans-72.3-29.4177.8-144.951.5000110.8R1127 K1135R1127-D1131 WeakPolarHBondContact O-CB 3.26Å; R1127-D1131 PolarHBondContact O-N 3.24Å; D1131-K1135 VanDerWaalsContact O-CB 3.23Å; D1131-K1135 WeakPolarHBondContact O-CB 3.11Å; D1131-K1135 WeakPolarHBondContact O-CG 3.32Å; D1131-K1135 PolarHBondContact O-N 2.88Å; D1131-K1135 WeakPolarHBondContact OD2-CE 3.21Å; D1131-K1135 IonicContact OD2-NZ 2.74Å; D1131-K1135 PolarHBondContact OD2-NZ 3.03Å
1132Y33.6Very low28.5Very low152 Ų152134.2 Ų134.260%0.59665%0.646SS**Hα-helixtrans-64.3-40.4167.1-177.7-97.2000112.3E1128 I1129 K1130E1128-Y1132 VanDerWaalsContact O-CB 3.3Å; E1128-Y1132 WeakPolarHBondContact O-CB 3.45Å; E1128-Y1132 PolarHBondContact O-N 3.24Å; I1129-Y1132 WeakPolarHBondContact O-CB 3.48Å; I1129-Y1132 PolarHBondContact O-N 3.25Å; K1130-Y1132 VanDerWaalsContact C-N 3.31Å
1133F28Very low28.1Very low131 Ų131130.8 Ų130.858%0.57564%0.642SS**Hα-helixtrans-78.1-35.8176.6-86.2-74.5000113.5I1129 K1130 R1136I1129-F1133 HydrophobicContact CG2-CD2 4.22Å; I1129-F1133 HydrophobicContact CG2-CE2 4.35Å; I1129-F1133 VanDerWaalsContact O-CD2 3.31Å; I1129-F1133 WeakPolarHBondContact O-CD2 3.36Å; I1129-F1133 PolarHBondContact O-N 2.75Å; I1129-F1133 VanDerWaalsContact O-N 3.14Å; K1130-F1133 CarbonylContact O-C 3.58Å; K1130-F1133 PolarHBondContact O-N 3.11Å; F1133-R1136 PolarHBondContact O-N 2.92Å
1134D28.8Very low27.7Very low78 Ų78133 Ų13342%0.41766%0.656SS.*Hα-helixtrans-76-34.4-178-78-22.1000111.6K1130 R1136 C1137K1130-D1134 WeakPolarHBondContact CE-OD2 3.45Å; K1130-D1134 WeakPolarHBondContact CG-OD2 3.42Å; K1130-D1134 VanDerWaalsContact O-CB 3.28Å; K1130-D1134 WeakPolarHBondContact O-CB 3.08Å; K1130-D1134 PolarHBondContact O-N 3.32Å; D1134-R1136 PolarHBondContact O-N 3.46Å; D1134-C1137 PolarHBondContact O-N 3.36Å
1135K30.9Very low27.2Very low151 Ų151133.8 Ų133.866%0.65767%0.668SS**THydrogen-bonded Turntrans-67.1-21.2172-81171.4173.6143.90113.4D1131D1131-K1135 VanDerWaalsContact O-CB 3.23Å; D1131-K1135 WeakPolarHBondContact O-CB 3.11Å; D1131-K1135 WeakPolarHBondContact O-CG 3.32Å; D1131-K1135 PolarHBondContact O-N 2.88Å; D1131-K1135 WeakPolarHBondContact OD2-CE 3.21Å; D1131-K1135 IonicContact OD2-NZ 2.74Å; D1131-K1135 PolarHBondContact OD2-NZ 3.03Å
1136R28Very low26.8Very low195 Ų195133.9 Ų133.974%0.73667%0.673SS**THydrogen-bonded Turntrans-90.4-10.7-177.5-158.8161.8178.2107.8-0.6113.8F1133 D1134F1133-R1136 PolarHBondContact O-N 2.92Å; D1134-R1136 PolarHBondContact O-N 3.46Å
1137C27.7Very low26.2Very low96 Ų96134.4 Ų134.465%0.64968%0.676SS**THydrogen-bonded Turntrans-120.5-0.2-170.6-73.80000116.7D1134D1134-C1137 PolarHBondContact O-N 3.36Å
1138N25.3Very low25.8Very low124 Ų124134.8 Ų134.866%0.66368%0.682SS**  trans-14243.9-177.1-79.8-46.9000117
1139N23.9Very low25.2Very low166 Ų166134.2 Ų134.289%0.88868%0.683SS**  trans-101.386.2154-83-22.9000109.3
1140L22.2Very low24.8Very low156 Ų156136.9 Ų136.982%0.81770%0.697SS**  trans-80.5114.9156.3-87.6152.2000107.1
1141E23.8Very low24.2Very low186 Ų186136.6 Ų136.687%0.86971%0.707SS**  trans179.9160.6130.6-100.3175.8-166.600112.4
1142L20.7Very low23.8Very low156 Ų156138.8 Ų138.882%0.81773%0.725SS**  trans-71.6159.1-153.8-77.777.8000116.1
1143S21.4Very low23.1Very low103 Ų103141.8 Ų141.872%0.7274%0.735SS**  trans102.9117136.674.90000119.1
1144N19.2Very low23Very low150 Ų150141 Ų14180%0.80274%0.743SS**  trans56.4119.8138-68.1-15.2000121.2
1145S21.4Very low22.5Very low106 Ų106141.1 Ų141.174%0.74175%0.75SS**  trans100.2112.4130.277.30000119.2
1146V19.6Very low22Very low120 Ų120138.5 Ų138.573%0.72775%0.751SS**  75.4117.2120.3179.20000119.2
1147N20.3Very low21.7Very low132 Ų132135.9 Ų135.971%0.70675%0.752SS**  trans91.4123.1141-80.4-16.3000122.5
1148K21Very low21.5Very low166 Ų166137.8 Ų137.872%0.72276%0.756SS**  86.5111127.5-75.2-175.7174.2-175.60119.8
1149D19.9Very low21.2Very low137 Ų137139.6 Ų139.673%0.73376%0.76SS**  62.8146.3116.7-60.2-29.4000121
1150I22Very low21Very low159 Ų159137 Ų13782%0.81575%0.75SS**  trans112.297.5151.7-53.5-179.4000114.5
1151T19.5Very low20.9Very low125 Ų125134 Ų13477%0.76774%0.743SS**  trans-53.8158150.843.70000112.4
1152P23.1Very low20.8Very low125 Ų125132 Ų13281%0.81274%0.737SS**  -144.4141.6112.428.2-9000115.8
1153R19Very low20.7Very low215 Ų215131 Ų13181%0.81173%0.731SS**  trans-70.4166.1150.2-130.1-176.7-176.4-177.3-0.7109.3
1154P25.5Very low20.7Very low114 Ų114132 Ų13274%0.7473%0.729SS**  -140.5160.962214.5000112.6
1155S18.3Very low20.8Very low81 Ų81132.7 Ų132.757%0.56673%0.727SS**  cis79.8144.64176.30000117.3
1156S21.3Very low20.8Very low97 Ų97135 Ų13568%0.67873%0.73SS**  trans86.6143.4162.670.40000118
1157D20.9Very low21.1Very low139 Ų139135.1 Ų135.174%0.74373%0.733SS**  cis-178.7171-5.4-100.6-19.8000109.5
1158N23Very low21.2Very low136 Ų136133.6 Ų133.673%0.72773%0.731SS**  trans84.6117.2153.2-59.2-26.6000118.5
1159E19Very low21.1Very low162 Ų162130.7 Ų130.776%0.75773%0.731SS**  cis89.9127.248.9-81.8-149.1151.100115.5
1160T19.9Very low21.1Very low112 Ų112128.3 Ų128.369%0.68773%0.725SS**  trans81.6114.1137.148.10000123.5
1161S20.3Very low20.9Very low94 Ų94126.6 Ų126.666%0.65772%0.718SS**  106.5145107.1750000122.5
1162L21.1Very low21.1Very low142 Ų142128 Ų12874%0.74372%0.716SS**  trans77.2112.5148.3-69.1151.4000118.2
1163I19.6Very low21Very low136 Ų136128.8 Ų128.870%0.69771%0.708SS**  92.4131.667.2-77.4-167.8000113.5
1164D21.3Very low21Very low125 Ų125125.6 Ų125.667%0.66870%0.702SS**  trans97.9115.6149.7-80.4-20.3000124.1
1165Q20.5Very low20.9Very low163 Ų163127.7 Ų127.776%0.76270%0.702SS**  84.8128.7119-70.7173.838.400123.9
1166L22.5Very low20.9Very low156 Ų156128.9 Ų128.982%0.81771%0.705SS**  trans-28.5158.5163.8-77.5144.8000118.3
1167P25.9Very low20.8Very low121 Ų121130.7 Ų130.779%0.78671%0.707SS**  -132.1173.1105.938.5-29.5000114.9
1168P22.2Very low20.7Very low101 Ų101135.3 Ų135.366%0.65672%0.715SS**  trans-118.6-176.2-162.239.1-23.4000114.5
1169S18.6Very low20.5Very low105 Ų105135.2 Ų135.273%0.73472%0.715SS**  trans64.6156.6144.864.60000118.3
1170S19.1Very low20.6Very low86 Ų86135 Ų13560%0.60172%0.719SS**  cis-176.3167.6-16.5490000104.6
1171D19.2Very low20.6Very low124 Ų124135.2 Ų135.266%0.66372%0.72SS**  trans90.6142.9149.1-59.5-42.3000123.2
1172H22.8Very low20.6Very low155 Ų155137.2 Ų137.272%0.71872%0.724SS**  trans93.596.4155.3-61.4-45.7000117.4
1173H20.5Very low20.6Very low140 Ų140136.9 Ų136.965%0.64872%0.723SS**  90.6123.370.9-94.3-96.8000112.6
1174Q19.5Very low20.7Very low149 Ų149139.2 Ų139.270%0.69673%0.73SS**  trans67.6114.6142-66.9172.2-28.100119.9
1175H22.5Very low20.7Very low158 Ų158140.6 Ų140.673%0.73174%0.737SS**  170.1111.2101-99.8-83.4000107.9
1176V18.6Very low20.8Very low106 Ų106137.5 Ų137.564%0.64273%0.734SS**  76.6107.784.1172.30000113.1
1177L18.9Very low20.8Very low135 Ų135136.2 Ų136.271%0.70773%0.727SS**  trans60.9116143.4-57.4170.6000119.3
1178Y20.6Very low20.7Very low235 Ų235139 Ų13992%0.92273%0.73SS**  -150.9122.8107.2-101.5-78000110.1
1179D17.9Very low20.7Very low134 Ų134141.4 Ų141.472%0.71773%0.732SS**  trans-61.5135.3160.5-78.3-47.7000109.8
1180N22Very low21Very low158 Ų158141.5 Ų141.585%0.84573%0.733SS**  trans-160.9115.2132.3-102.7-26.2000110.8
1181T19.2Very low21.2Very low116 Ų116146.4 Ų146.471%0.71275%0.746SS**  trans-51.8124.216146.30000111.9
1182N19.8Very low21.4Very low137 Ų137145.3 Ų145.373%0.73375%0.748SS**  166.7142.6118.9-89-27.5000111.9
1183N21.6Very low21.6Very low135 Ų135143.5 Ų143.572%0.72275%0.75SS**  trans73.994.5161.3-56.6-18.6000115.2
1184Q20.5Very low21.8Very low184 Ų184142 Ų14286%0.8676%0.755SS**  3878.480.8-67.5-162.5-100113
1185L21.7Very low22.2Very low155 Ų155140 Ų14081%0.81275%0.753SS**  trans-129.474.8146.4-93.6156.5000106.7
1186S22.5Very low22.4Very low98 Ų98139.1 Ų139.169%0.68575%0.754SS**  trans-67.7122.2165.848.70000109.5
1187N23.6Very low22.8Very low128 Ų128144 Ų14468%0.68476%0.763SS**  trans38.187.6145-64.7-9.5000116.1H1189N1187-H1189 PolarHBondContact O-N 2.95Å
1188H22.5Very low23.2Very low180 Ų180144.8 Ų144.883%0.83377%0.766SS**  trans-61.879.1144.7-79.3-70.8000108.9S1190H1188-S1190 PolarHBondContact O-N 2.99Å
1189H24.1Very low23.4Very low151 Ų151145.1 Ų145.170%0.69977%0.765SS**  trans-69.195.4154.9-85.4-60.6000106.6N1187 E1191N1187-H1189 PolarHBondContact O-N 2.95Å; H1189-E1191 VanDerWaalsContact C-N 3.31Å; H1189-E1191 PolarHBondContact O-N 3.5Å
1190S23.8Very low23.9Very low108 Ų108149.1 Ų149.176%0.75577%0.77SS**  trans-47.896.8158.645.40000109.1H1188 S1192H1188-S1190 PolarHBondContact O-N 2.99Å; S1190-S1192 VanDerWaalsContact C-N 3.31Å; S1190-S1192 PolarHBondContact O-N 3.25Å
1191E23.5Very low24Very low188 Ų188146.4 Ų146.488%0.87976%0.764SS**  trans-62.193.7169.4-74-173.4153.200108.4H1189H1189-E1191 VanDerWaalsContact C-N 3.31Å; H1189-E1191 PolarHBondContact O-N 3.5Å
1192S23.4Very low24.6Very low102 Ų102147.1 Ų147.171%0.71377%0.768SS**  trans-56.8125.3165.355.90000108.3S1190 S1194S1190-S1192 VanDerWaalsContact C-N 3.31Å; S1190-S1192 PolarHBondContact O-N 3.25Å; S1192-S1194 PolarHBondContact O-N 2.84Å
1193P26.3Very low25Very low116 Ų116151.6 Ų151.675%0.75378%0.775SS**  trans-66.4110.4-174.924.7-31.4000109.2T1195P1193-T1195 PolarHBondContact O-N 3.5Å
1194S25.8Very low25.6Very low108 Ų108151.2 Ų151.276%0.75577%0.769SS**  trans-58.5100.2173600000109.1S1192 N1196S1192-S1194 PolarHBondContact O-N 2.84Å; S1194-N1196 PolarHBondContact O-N 3Å; S1194-N1196 VanDerWaalsContact O-N 3.17Å
1195T26.9Very low26.2Very low107 Ų107154.2 Ų154.266%0.65677%0.772SS**  trans-61.311517037.30000108P1193 Y1197P1193-T1195 PolarHBondContact O-N 3.5Å; T1195-Y1197 VanDerWaalsContact C-N 3.34Å; T1195-Y1197 PolarHBondContact O-N 3.04Å
1196N26.2Very low27.1Very low141 Ų141152.1 Ų152.175%0.75476%0.761SS**  trans-60.693.8173.4-81.6-54.4000109.6S1194 I1198S1194-N1196 PolarHBondContact O-N 3Å; S1194-N1196 VanDerWaalsContact O-N 3.17Å; N1196-I1198 PolarHBondContact O-N 3.2Å
1197Y27.1Very low28.7Very low209 Ų209150.7 Ų150.782%0.8275%0.746SS**  trans-66.499.3165.2-86.1-87000108.7T1195 R1199T1195-Y1197 VanDerWaalsContact C-N 3.34Å; T1195-Y1197 PolarHBondContact O-N 3.04Å; Y1197-R1199 PolarHBondContact O-N 3.44Å
1198I27.2Very low29.8Very low150 Ų150151 Ų15177%0.76975%0.754SS**  trans-60106.1163.9-64.1173.6000106.8N1196 R1200N1196-I1198 PolarHBondContact O-N 3.2Å; I1198-R1200 PolarHBondContact O-N 3Å
1199R24.8Very low31.9Very low243 Ų243146.8 Ų146.892%0.91773%0.734SS**  trans-66.388.6180-158.9-179-163.6-175.76.8110.1Y1197Y1197-R1199 PolarHBondContact O-N 3.44Å
1200R28.8Very low34.5Very low218 Ų218140.7 Ų140.782%0.82371%0.706SS**  trans-67.6135.3163.2-74.5-175.9177-176.90.4108.4I1198 T1202I1198-R1200 PolarHBondContact O-N 3Å; R1200-T1202 PolarHBondContact O-N 3.28Å
1201S25.4Very low37.2Very low101 Ų101137.3 Ų137.371%0.70668%0.68SS**  trans-60.9113.8177.4160.10000110.8R1203S1201-R1203 VanDerWaalsContact C-N 3.32Å; S1201-R1203 PolarHBondContact O-N 3.29Å
1202T30.8Very low40.1Very low130 Ų130131.2 Ų131.280%0.79866%0.658SS**  trans-90.846.7178.247.80000113R1200 Q1204R1200-T1202 PolarHBondContact O-N 3.28Å; T1202-Q1204 PolarHBondContact O-N 2.82Å
1203R28Very low43.1Very low232 Ų232126.5 Ų126.588%0.87562%0.624SS**  trans-72.183.4168.3-72.7-170.1-174.6-136.44109.1S1201 R1205S1201-R1203 VanDerWaalsContact C-N 3.32Å; S1201-R1203 PolarHBondContact O-N 3.29Å; R1203-R1205 PolarHBondContact O-N 3.35Å
1204Q34.6Very low46.1Very low127 Ų127125.9 Ų125.959%0.59361%0.61SS**PPolyproline II helixtrans-66.1123.6166.1-77.4177.1-1800108.5T1202 L1206T1202-Q1204 PolarHBondContact O-N 2.82Å; Q1204-L1206 PolarHBondContact O-N 3.45Å
1205R32.6Very low49.1Very low247 Ų247120.8 Ų120.893%0.93257%0.574SS**PPolyproline II helixtrans-60128.3166.3-78.8-177.7175.3-175.8-1.5107.7R1203R1203-R1205 PolarHBondContact O-N 3.35Å
1206L41.1Very low52Low110 Ų110118.1 Ų118.158%0.57656%0.556SS**PPolyproline II helixtrans-67.1136.1175.7-73.6154.6000109.3Q1204Q1204-L1206 PolarHBondContact O-N 3.45Å
1207N55.3Low54.8Low68 Ų68111.6 Ų111.636%0.36452%0.521SS..PPolyproline II helixtrans-70134.7171.3-177.5-18.7000108.2K1209 D1210N1207-K1209 PolarHBondContact O-N 3.5Å; N1207-K1209 VanDerWaalsContact O-N 3.08Å; N1207-K1209 PolarHBondContact OD1-N 3.21Å; N1207-D1210 HydrophobicContact CB-CB 4.48Å; N1207-D1210 WeakPolarHBondContact CB-OD2 3.26Å; N1207-D1210 WeakPolarHBondContact O-CB 3.48Å; N1207-D1210 PolarHBondContact O-N 3.01Å
1208P48.4Very low57.7Low134 Ų134105 Ų10587%0.8751%0.506SS*.THydrogen-bonded Turntrans-57.5-19.2179.817-30000115.5D1210P1208-D1210 VanDerWaalsContact C-N 3.33Å
1209K65.4Low60.8Low93 Ų9399.1 Ų99.140%0.40448%0.476SS..THydrogen-bonded Turntrans-81.6-4.8171-71.1-167.1177.5-169.10114.3L1069 E1075 N1207L1069-K1209 PolarHBondContact N-O 3.07Å; L1069-K1209 VanDerWaalsContact N-O 3.08Å; E1075-K1209 IonicContact OE1-NZ 3.6Å; E1075-K1209 PolarHBondContact OE1-NZ 3.39Å; E1075-K1209 IonicContact OE2-NZ 3.21Å; N1207-K1209 PolarHBondContact O-N 3.5Å; N1207-K1209 VanDerWaalsContact O-N 3.08Å; N1207-K1209 PolarHBondContact OD1-N 3.21Å
1210D78.5Confident64Low22 Ų2289 Ų8912%0.11844%0.441CS..EExtended strand (participates in β ladder)trans-97.5121.5-176.6-63-5.8000110.9I1067 R1068 N1207 P1208I1067-D1210 CarbonylContact O-C 3.44Å; I1067-D1210 WeakPolarHBondContact O-CA 3.49Å; R1068-D1210 WeakPolarHBondContact CB-OD1 3.24Å; R1068-D1210 WeakPolarHBondContact CG-OD1 3.35Å; R1068-D1210 IonicContact CZ-OD1 3.34Å; R1068-D1210 IonicContact CZ-OD2 2.73Å; R1068-D1210 IonicContact NE-OD1 2.67Å; R1068-D1210 PolarHBondContact NE-OD1 2.8Å; R1068-D1210 IonicContact NE-OD2 3.76Å; R1068-D1210 IonicContact NH2-OD1 3.79Å; R1068-D1210 PolarHBondContact NH2-OD1 3.49Å; R1068-D1210 IonicContact NH2-OD2 3.55Å; R1068-D1210 PolarHBondContact NH2-OD2 3.48Å; N1207-D1210 HydrophobicContact CB-CB 4.48Å; N1207-D1210 WeakPolarHBondContact CB-OD2 3.26Å; N1207-D1210 WeakPolarHBondContact O-CB 3.48Å; N1207-D1210 PolarHBondContact O-N 3.01Å; P1208-D1210 VanDerWaalsContact C-N 3.33Å
1211L80.9Confident67.1Low38 Ų3878.6 Ų78.620%0.19940%0.402CS..EExtended strand (participates in β ladder)trans-101.9157.1168.765.298.8000110.4R1066 I1067 L1069 I1213 L1228 L1232R1066-L1211 CarbonylContact C-O 3.19Å; R1066-L1211 WeakPolarHBondContact CA-O 3.35Å; I1067-L1211 HydrophobicContact CB-CD1 3.6Å; I1067-L1211 HydrophobicContact CB-CD2 4.45Å; I1067-L1211 HydrophobicContact CB-CG 3.76Å; I1067-L1211 HydrophobicContact CD1-CD1 4.05Å; I1067-L1211 HydrophobicContact CG1-CD1 4.15Å; I1067-L1211 HydrophobicContact CG2-CD1 4.12Å; I1067-L1211 HydrophobicContact CG2-CD2 4.26Å; I1067-L1211 HydrophobicContact CG2-CG 4.12Å; I1067-L1211 PolarHBondContact N-O 2.89Å; I1067-L1211 PolarHBondContact O-N 2.82Å; L1069-L1211 HydrophobicContact CD1-CD2 4.02Å; L1069-L1211 HydrophobicContact CD2-CD2 3.85Å; L1069-L1211 HydrophobicContact CG-CD2 3.85Å; L1211-I1213 HydrophobicContact CD1-CG2 3.83Å; L1211-L1228 HydrophobicContact CD1-CD2 3.82Å; L1211-L1232 HydrophobicContact CD2-CD2 4.23Å
1212S84Confident70.2Confident59 Ų5977.3 Ų77.341%0.41339%0.387SS..EExtended strand (participates in β ladder)trans-127122.5177.771.20000110.9I1065I1065-S1212 WeakPolarHBondContact O-CA 3.23Å
1213I86.5Confident73.1Confident3 Ų374.9 Ų74.92%0.01537%0.369CS..EExtended strand (participates in β ladder)trans-10815617560.6166.8000110.3R1064 I1065 I1067 L1211 V1215 V1224 L1228 F1231R1064-I1213 VanDerWaalsContact CA-O 3.28Å; R1064-I1213 WeakPolarHBondContact CA-O 3.37Å; I1065-I1213 PolarHBondContact N-O 3.39Å; I1065-I1213 VanDerWaalsContact N-O 3.08Å; I1065-I1213 PolarHBondContact O-N 2.93Å; I1065-I1213 VanDerWaalsContact O-N 3.12Å; I1067-I1213 HydrophobicContact CD1-CD1 3.44Å; I1067-I1213 VanDerWaalsContact CD1-CD1 3.44Å; I1067-I1213 HydrophobicContact CD1-CG1 3.71Å; I1067-I1213 HydrophobicContact CD1-CG2 4.33Å; I1067-I1213 HydrophobicContact CG1-CD1 4.47Å; I1067-I1213 HydrophobicContact CG1-CG1 4.33Å; L1211-I1213 HydrophobicContact CD1-CG2 3.83Å; I1213-V1215 HydrophobicContact CD1-CG1 3.58Å; I1213-V1215 HydrophobicContact CG1-CG1 3.99Å; I1213-V1224 HydrophobicContact CD1-CG1 3.71Å; I1213-L1228 HydrophobicContact CG2-CD2 4.39Å; I1213-F1231 HydrophobicContact CG2-CD2 3.94Å; I1213-F1231 HydrophobicContact CG2-CE2 3.83Å
1214K88.8Confident76.2Confident103 Ų10363.8 Ų63.845%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-100.2122.2174.5-82.5175.3155.7-155.60109.3N1062 A1063 R1064 Q1227N1062-K1214 VanDerWaalsContact OD1-CD 3.23Å; N1062-K1214 WeakPolarHBondContact OD1-CD 3.34Å; N1062-K1214 WeakPolarHBondContact OD1-CE 3.29Å; N1062-K1214 PolarHBondContact OD1-NZ 3.31Å; A1063-K1214 WeakPolarHBondContact O-CA 3.31Å; R1064-K1214 HydrophobicContact CG-CG 3.91Å; K1214-Q1227 PolarHBondContact O-NE2 3.38Å; K1214-Q1227 PolarHBondContact O-OE1 3.48Å
1215V89.4Confident78.9Confident1 Ų158.1 Ų58.11%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-135.9159.6-177-66.10000111.5F1060 N1062 A1063 I1065 I1213 D1219 V1224 L1255F1060-V1215 HydrophobicContact CE2-CG2 3.95Å; N1062-V1215 CarbonylContact C-O 3.6Å; N1062-V1215 PolarHBondContact N-O 3.15Å; A1063-V1215 PolarHBondContact N-O 3.01Å; A1063-V1215 PolarHBondContact O-N 3.48Å; I1065-V1215 HydrophobicContact CB-CG2 4.08Å; I1065-V1215 HydrophobicContact CD1-CG2 3.39Å; I1065-V1215 HydrophobicContact CG1-CG2 3.5Å; I1213-V1215 HydrophobicContact CD1-CG1 3.58Å; I1213-V1215 HydrophobicContact CG1-CG1 3.99Å; V1215-D1219 VanDerWaalsContact CA-OD2 3.24Å; V1215-D1219 WeakPolarHBondContact CA-OD2 3.44Å; V1215-V1224 HydrophobicContact CG1-CG2 3.85Å; V1215-L1255 HydrophobicContact CB-CD1 3.77Å; V1215-L1255 HydrophobicContact CG1-CD1 4.24Å; V1215-L1255 HydrophobicContact CG2-CD1 3.65Å
1216N88.9Confident81.4Confident51 Ų5149 Ų4927%0.27327%0.272SS..  trans-106.3154.5167.2-51.2-56.3000109.5F1060 N1061 N1062 S1218 D1219F1060-N1216 CarbonylContact O-C 3.59Å; F1060-N1216 WeakPolarHBondContact O-CA 3.26Å; N1061-N1216 WeakPolarHBondContact CA-OD1 3.42Å; N1062-N1216 PolarHBondContact N-OD1 2.79Å; N1216-S1218 PolarHBondContact O-N 2.91Å; N1216-D1219 PolarHBondContact N-OD2 3.3Å; N1216-D1219 WeakPolarHBondContact O-CB 3.46Å; N1216-D1219 PolarHBondContact O-N 3.4Å
1217S85.2Confident83.5Confident4 Ų446 Ų463%0.02826%0.255CS..THydrogen-bonded Turntrans-56.2-30.4172.3460000112.9I1059 F1060 D1219 T1254 L1255 Q1256I1059-S1217 WeakPolarHBondContact CA-OG 3.25Å; F1060-S1217 PolarHBondContact N-OG 3.22Å; F1060-S1217 WeakPolarHBondContact O-CB 3.26Å; F1060-S1217 PolarHBondContact O-N 3.44Å; F1060-S1217 PolarHBondContact O-OG 2.75Å; S1217-D1219 VanDerWaalsContact C-N 3.32Å; S1217-T1254 WeakPolarHBondContact O-CB 3.39Å; S1217-L1255 PolarHBondContact O-N 2.89Å; S1217-Q1256 PolarHBondContact O-N 2.82Å; S1217-Q1256 VanDerWaalsContact O-N 3.08Å
1218S87.3Confident85Confident71 Ų7142.8 Ų42.850%0.49724%0.238SC..THydrogen-bonded Turntrans-77.1-9.4174.761.70000114.8N1216 T1220N1216-S1218 PolarHBondContact O-N 2.91Å; S1218-T1220 PolarHBondContact O-N 3.42Å
1219D91.7Very high86.6Confident27 Ų2739.8 Ų39.814%0.14421%0.213CC..  trans-70.2131.8178.3-66.4-20.8000108.9V1215 N1216 S1217 N1223 T1254 L1255V1215-D1219 VanDerWaalsContact CA-OD2 3.24Å; V1215-D1219 WeakPolarHBondContact CA-OD2 3.44Å; N1216-D1219 PolarHBondContact N-OD2 3.3Å; N1216-D1219 WeakPolarHBondContact O-CB 3.46Å; N1216-D1219 PolarHBondContact O-N 3.4Å; S1217-D1219 VanDerWaalsContact C-N 3.32Å; D1219-N1223 HydrophobicContact CB-CB 4.03Å; D1219-T1254 CarbonylContact O-C 3.58Å; D1219-T1254 WeakPolarHBondContact O-CA 3.24Å; D1219-L1255 WeakPolarHBondContact O-CG 3.45Å; D1219-L1255 PolarHBondContact O-N 2.87Å
1220T93.3Very high86.9Confident30 Ų3042.1 Ų42.118%0.18423%0.226CC..BIsolated β-bridgetrans-71.2160.6173.862.30000111.1S1218 L1222 N1223 V1224 T1252 K1253 T1254S1218-T1220 PolarHBondContact O-N 3.42Å; T1220-L1222 PolarHBondContact O-N 2.83Å; T1220-N1223 PolarHBondContact N-ND2 2.95Å; T1220-N1223 WeakPolarHBondContact O-CB 3.48Å; T1220-N1223 PolarHBondContact O-N 3.41Å; T1220-N1223 PolarHBondContact OG1-N 3.39Å; T1220-N1223 PolarHBondContact OG1-OD1 3.19Å; T1220-V1224 PolarHBondContact O-N 3.36Å; T1220-T1252 WeakPolarHBondContact CG2-O 3.1Å; T1220-K1253 CarbonylContact C-O 3.6Å; T1220-K1253 VanDerWaalsContact CA-O 3.3Å; T1220-K1253 WeakPolarHBondContact CA-O 3.37Å; T1220-T1254 HydrophobicContact CG2-CG2 4.41Å
1221L92.8Very high86.7Confident0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-54.6-36.9169.1-177.966.9000111.2V1224 K1225 I1241 L1248 D1250 K1253 L1258L1221-V1224 PolarHBondContact O-N 2.83Å; L1221-K1225 HydrophobicContact CG-CD 4.28Å; L1221-K1225 WeakPolarHBondContact O-CB 3.21Å; L1221-K1225 WeakPolarHBondContact O-CG 3.36Å; L1221-K1225 PolarHBondContact O-N 2.9Å; L1221-I1241 HydrophobicContact CD1-CB 4.4Å; L1221-I1241 HydrophobicContact CD1-CD1 3.93Å; L1221-L1248 HydrophobicContact CD1-CB 4.05Å; L1221-L1248 HydrophobicContact CD1-CD1 4.06Å; L1221-L1248 HydrophobicContact CD2-CB 3.75Å; L1221-L1248 WeakPolarHBondContact CD2-O 3.41Å; L1221-D1250 WeakPolarHBondContact CD2-O 3.49Å; L1221-K1253 PolarHBondContact N-O 3.32Å; L1221-L1258 HydrophobicContact CB-CD1 3.85Å; L1221-L1258 HydrophobicContact CD1-CD1 4.29Å; L1221-L1258 HydrophobicContact CD2-CD1 4.45Å; L1221-L1258 HydrophobicContact CG-CD1 4.42Å
1222L90.8Very high86.4Confident74 Ų7446.9 Ų46.939%0.38725%0.246SC..Hα-helixtrans-61.7-44.2173-174.861.6000112.2T1220 V1224 K1225 V1226 P1236 H1251T1220-L1222 PolarHBondContact O-N 2.83Å; L1222-V1224 VanDerWaalsContact C-N 3.29Å; L1222-V1224 PolarHBondContact O-N 3.2Å; L1222-K1225 CarbonylContact O-C 3.56Å; L1222-K1225 PolarHBondContact O-N 2.81Å; L1222-K1225 VanDerWaalsContact O-N 3.17Å; L1222-V1226 HydrophobicContact CD1-CG2 4.24Å; L1222-V1226 HydrophobicContact CG-CG2 4.31Å; L1222-V1226 WeakPolarHBondContact O-CB 3.46Å; L1222-V1226 VanDerWaalsContact O-CG2 3.27Å; L1222-V1226 WeakPolarHBondContact O-CG2 3.48Å; L1222-V1226 PolarHBondContact O-N 3.23Å; L1222-P1236 HydrophobicContact CD1-CB 3.84Å; L1222-P1236 HydrophobicContact CD1-CG 4.2Å; L1222-H1251 HydrophobicContact CB-CB 4.34Å; L1222-H1251 WeakPolarHBondContact CB-O 3.35Å; L1222-H1251 PolarHBondContact N-O 3.41Å
1223N91.5Very high85.6Confident78 Ų7845.9 Ų45.942%0.41725%0.245SC..Hα-helixtrans-58.7-43.1175.8-67.5-9.2000111.2D1219 T1220 V1226 Q1227D1219-N1223 HydrophobicContact CB-CB 4.03Å; T1220-N1223 PolarHBondContact N-ND2 2.95Å; T1220-N1223 WeakPolarHBondContact O-CB 3.48Å; T1220-N1223 PolarHBondContact O-N 3.41Å; T1220-N1223 PolarHBondContact OG1-N 3.39Å; T1220-N1223 PolarHBondContact OG1-OD1 3.19Å; N1223-V1226 PolarHBondContact O-N 2.95Å; N1223-Q1227 WeakPolarHBondContact O-CB 3.44Å; N1223-Q1227 PolarHBondContact O-N 2.75Å
1224V92.1Very high85.1Confident0 Ų047.3 Ų47.30%025%0.254CS..Hα-helixtrans-62.6-45.2175.4172.40000111.3I1213 V1215 T1220 L1221 L1222 V1226 Q1227 L1228 I1241 L1255I1213-V1224 HydrophobicContact CD1-CG1 3.71Å; V1215-V1224 HydrophobicContact CG1-CG2 3.85Å; T1220-V1224 PolarHBondContact O-N 3.36Å; L1221-V1224 PolarHBondContact O-N 2.83Å; L1222-V1224 VanDerWaalsContact C-N 3.29Å; L1222-V1224 PolarHBondContact O-N 3.2Å; V1224-V1226 PolarHBondContact O-N 2.82Å; V1224-Q1227 PolarHBondContact O-N 3.37Å; V1224-L1228 HydrophobicContact CG1-CD1 4.05Å; V1224-L1228 HydrophobicContact CG1-CG 4.49Å; V1224-L1228 WeakPolarHBondContact O-CB 3.24Å; V1224-L1228 WeakPolarHBondContact O-CG 3.45Å; V1224-L1228 PolarHBondContact O-N 3.29Å; V1224-I1241 HydrophobicContact CG1-CD1 4.25Å; V1224-L1255 HydrophobicContact CG2-CD1 3.87Å; V1224-L1255 HydrophobicContact CG2-CD2 3.89Å; V1224-L1255 HydrophobicContact CG2-CG 4.06Å
1225K91.8Very high84.3Confident7 Ų746.4 Ų46.43%0.0325%0.253CS..Hα-helixtrans-64.6-37.1177.1-74.5177.8159.6-152.10112.9L1221 L1222 L1228 M1229 P1236 Q1239 I1241 H1251L1221-K1225 HydrophobicContact CG-CD 4.28Å; L1221-K1225 WeakPolarHBondContact O-CB 3.21Å; L1221-K1225 WeakPolarHBondContact O-CG 3.36Å; L1221-K1225 PolarHBondContact O-N 2.9Å; L1222-K1225 CarbonylContact O-C 3.56Å; L1222-K1225 PolarHBondContact O-N 2.81Å; L1222-K1225 VanDerWaalsContact O-N 3.17Å; K1225-L1228 WeakPolarHBondContact O-CB 3.3Å; K1225-L1228 PolarHBondContact O-N 3.5Å; K1225-M1229 WeakPolarHBondContact O-CB 3.18Å; K1225-M1229 PolarHBondContact O-N 3.11Å; K1225-P1236 HydrophobicContact CB-CB 3.71Å; K1225-P1236 HydrophobicContact CB-CG 4.16Å; K1225-P1236 HydrophobicContact CD-CB 4.19Å; K1225-P1236 WeakPolarHBondContact CD-O 3.38Å; K1225-P1236 PolarHBondContact NZ-O 3.3Å; K1225-Q1239 VanDerWaalsContact CA-OE1 3.23Å; K1225-Q1239 HydrophobicContact CD-CB 4.49Å; K1225-Q1239 WeakPolarHBondContact CE-O 3.33Å; K1225-Q1239 HydrophobicContact CG-CB 4.34Å; K1225-Q1239 PolarHBondContact NZ-O 2.95Å; K1225-Q1239 PolarHBondContact O-NE2 2.86Å; K1225-Q1239 PolarHBondContact O-OE1 3.45Å; K1225-I1241 HydrophobicContact CD-CD1 4.5Å; K1225-I1241 HydrophobicContact CG-CD1 3.6Å; K1225-H1251 PolarHBondContact NZ-NE2 3.08Å
1226V85.6Confident83.9Confident57 Ų5747.3 Ų47.335%0.34526%0.259SS..Hα-helixtrans-68.8-41.4174.7170.10000110.9L1222 N1223 V1224 L1228 M1229 Q1230 P1236L1222-V1226 HydrophobicContact CD1-CG2 4.24Å; L1222-V1226 HydrophobicContact CG-CG2 4.31Å; L1222-V1226 WeakPolarHBondContact O-CB 3.46Å; L1222-V1226 VanDerWaalsContact O-CG2 3.27Å; L1222-V1226 WeakPolarHBondContact O-CG2 3.48Å; L1222-V1226 PolarHBondContact O-N 3.23Å; N1223-V1226 PolarHBondContact O-N 2.95Å; V1224-V1226 PolarHBondContact O-N 2.82Å; V1226-L1228 VanDerWaalsContact C-N 3.33Å; V1226-M1229 HydrophobicContact CG1-CE 4.42Å; V1226-M1229 WeakPolarHBondContact O-CB 3.27Å; V1226-M1229 PolarHBondContact O-N 2.9Å; V1226-Q1230 PolarHBondContact O-N 3.22Å; V1226-P1236 HydrophobicContact CG2-CG 3.89Å
1227Q86Confident83.6Confident47 Ų4749 Ų4922%0.2228%0.275CS..Hα-helixtrans-63.8-42.3174.1-166.5-179.923.100110.7K1214 N1223 V1224 M1229 Q1230 F1231K1214-Q1227 PolarHBondContact O-NE2 3.38Å; K1214-Q1227 PolarHBondContact O-OE1 3.48Å; N1223-Q1227 WeakPolarHBondContact O-CB 3.44Å; N1223-Q1227 PolarHBondContact O-N 2.75Å; V1224-Q1227 PolarHBondContact O-N 3.37Å; Q1227-M1229 VanDerWaalsContact C-N 3.32Å; Q1227-M1229 PolarHBondContact O-N 3.25Å; Q1227-Q1230 WeakPolarHBondContact O-CB 3.42Å; Q1227-Q1230 PolarHBondContact O-N 3.13Å; Q1227-F1231 HydrophobicContact CG-CE2 4.14Å; Q1227-F1231 WeakPolarHBondContact O-CD2 3.32Å; Q1227-F1231 PolarHBondContact O-N 3.28Å
1228L85.7Confident83.6Confident0 Ų051.7 Ų51.70%029%0.289CS..Hα-helixtrans-62.6-35.7172.6-81.4171.3000113I1067 L1211 I1213 V1224 K1225 V1226 Q1230 F1231 L1232 I1241 L1268I1067-L1228 HydrophobicContact CD1-CD1 3.85Å; I1067-L1228 HydrophobicContact CD1-CD2 3.5Å; I1067-L1228 VanDerWaalsContact CD1-CD2 3.5Å; I1067-L1228 HydrophobicContact CD1-CG 3.89Å; I1067-L1228 HydrophobicContact CG2-CD2 4.42Å; L1211-L1228 HydrophobicContact CD1-CD2 3.82Å; I1213-L1228 HydrophobicContact CG2-CD2 4.39Å; V1224-L1228 HydrophobicContact CG1-CD1 4.05Å; V1224-L1228 HydrophobicContact CG1-CG 4.49Å; V1224-L1228 WeakPolarHBondContact O-CB 3.24Å; V1224-L1228 WeakPolarHBondContact O-CG 3.45Å; V1224-L1228 PolarHBondContact O-N 3.29Å; K1225-L1228 WeakPolarHBondContact O-CB 3.3Å; K1225-L1228 PolarHBondContact O-N 3.5Å; V1226-L1228 VanDerWaalsContact C-N 3.33Å; L1228-Q1230 PolarHBondContact O-N 2.63Å; L1228-F1231 CarbonylContact O-C 3.46Å; L1228-F1231 WeakPolarHBondContact O-CA 3.22Å; L1228-F1231 PolarHBondContact O-N 3.37Å; L1228-L1232 HydrophobicContact CB-CD1 4.48Å; L1228-L1232 HydrophobicContact CD2-CD1 4.01Å; L1228-L1232 WeakPolarHBondContact O-CB 3.4Å; L1228-L1232 PolarHBondContact O-N 2.91Å; L1228-I1241 HydrophobicContact CD1-CD1 3.69Å; L1228-I1241 HydrophobicContact CD1-CG1 4.49Å; L1228-L1268 HydrophobicContact CD1-CD1 4.45Å; L1228-L1268 HydrophobicContact CD1-CD2 3.73Å; L1228-L1268 HydrophobicContact CD2-CD2 3.89Å; L1228-L1268 HydrophobicContact CG-CD2 4.34Å
1229M81.4Confident83.7Confident70 Ų7048.4 Ų48.435%0.34527%0.266SS..Hα-helixtrans-58.7-38.3174.6179.8-174.774.600110.8K1225 V1226 Q1227 F1231 G1233 V1234K1225-M1229 WeakPolarHBondContact O-CB 3.18Å; K1225-M1229 PolarHBondContact O-N 3.11Å; V1226-M1229 HydrophobicContact CG1-CE 4.42Å; V1226-M1229 WeakPolarHBondContact O-CB 3.27Å; V1226-M1229 PolarHBondContact O-N 2.9Å; Q1227-M1229 VanDerWaalsContact C-N 3.32Å; Q1227-M1229 PolarHBondContact O-N 3.25Å; M1229-F1231 PolarHBondContact O-N 2.79Å; M1229-G1233 VanDerWaalsContact O-CA 3.28Å; M1229-G1233 WeakPolarHBondContact O-CA 3.18Å; M1229-G1233 PolarHBondContact O-N 2.89Å; M1229-V1234 WeakPolarHBondContact CB-O 3.22Å; M1229-V1234 WeakPolarHBondContact CG-O 3.32Å
1230Q73Confident83.7Confident143 Ų14348.6 Ų48.667%0.66827%0.265SS*.Hα-helixtrans-63.7-28.7173.2-61.8178.2-15.700112.8V1226 Q1227 L1228V1226-Q1230 PolarHBondContact O-N 3.22Å; Q1227-Q1230 WeakPolarHBondContact O-CB 3.42Å; Q1227-Q1230 PolarHBondContact O-N 3.13Å; L1228-Q1230 PolarHBondContact O-N 2.63Å
1231F73.7Confident83.7Confident103 Ų10347.2 Ų47.245%0.45226%0.257SS..Hα-helixtrans-89.1-37.4179.5-73.1-73000113.8Q342 I1213 Q1227 L1228 M1229Q342-F1231 PolarHBondContact NE2-O 2.91Å; I1213-F1231 HydrophobicContact CG2-CD2 3.94Å; I1213-F1231 HydrophobicContact CG2-CE2 3.83Å; Q1227-F1231 HydrophobicContact CG-CE2 4.14Å; Q1227-F1231 WeakPolarHBondContact O-CD2 3.32Å; Q1227-F1231 PolarHBondContact O-N 3.28Å; L1228-F1231 CarbonylContact O-C 3.46Å; L1228-F1231 WeakPolarHBondContact O-CA 3.22Å; L1228-F1231 PolarHBondContact O-N 3.37Å; M1229-F1231 PolarHBondContact O-N 2.79Å
1232L74.6Confident83.6Confident57 Ų5747.2 Ų47.230%0.29826%0.257SS..Hα-helixtrans-111-18.5-169.2-62.2171.6000113.9L1069 L1211 L1228 V1234 L1268L1069-L1232 HydrophobicContact CD1-CD2 4.26Å; L1069-L1232 HydrophobicContact CD2-CD1 4.05Å; L1069-L1232 HydrophobicContact CD2-CD2 4.02Å; L1211-L1232 HydrophobicContact CD2-CD2 4.23Å; L1228-L1232 HydrophobicContact CB-CD1 4.48Å; L1228-L1232 HydrophobicContact CD2-CD1 4.01Å; L1228-L1232 WeakPolarHBondContact O-CB 3.4Å; L1228-L1232 PolarHBondContact O-N 2.91Å; L1232-V1234 HydrophobicContact CB-CG2 4.44Å; L1232-V1234 PolarHBondContact O-N 3.13Å; L1232-L1268 HydrophobicContact CD1-CD2 3.16Å; L1232-L1268 HydrophobicContact CD1-CG 4.32Å
1233G68.2Low83.4Confident37 Ų3744 Ų4438%0.38124%0.241SC..  trans72.37-178.100000115.2M1229M1229-G1233 VanDerWaalsContact O-CA 3.28Å; M1229-G1233 WeakPolarHBondContact O-CA 3.18Å; M1229-G1233 PolarHBondContact O-N 2.89Å
1234V74.4Confident82.7Confident34 Ų3445.4 Ų45.421%0.20625%0.248CC..  trans-91.5134.8176.2-177.50000108.9M1229 L1232 D1238 Q1239M1229-V1234 WeakPolarHBondContact CB-O 3.22Å; M1229-V1234 WeakPolarHBondContact CG-O 3.32Å; L1232-V1234 HydrophobicContact CB-CG2 4.44Å; L1232-V1234 PolarHBondContact O-N 3.13Å; V1234-D1238 HydrophobicContact CG1-CB 3.64Å; V1234-Q1239 HydrophobicContact CB-CG 4.09Å; V1234-Q1239 HydrophobicContact CG1-CG 3.84Å; V1234-Q1239 PolarHBondContact O-NE2 3.43Å
1235I73.6Confident81.9Confident83 Ų8346.4 Ų46.443%0.42626%0.259SS..  trans-66150.9177.359.5167.5000111S1237 D1238 Q1239I1235-S1237 PolarHBondContact O-N 3.2Å; I1235-S1237 VanDerWaalsContact O-N 3.07Å; I1235-D1238 HydrophobicContact CG1-CB 4.11Å; I1235-D1238 VanDerWaalsContact CG1-OD2 3.25Å; I1235-D1238 WeakPolarHBondContact CG1-OD2 3.24Å; I1235-D1238 PolarHBondContact O-N 3.43Å; I1235-D1238 VanDerWaalsContact O-N 3.09Å; I1235-Q1239 WeakPolarHBondContact O-CG 3.31Å
1236P81.3Confident81.3Confident20 Ų2052.2 Ų52.213%0.1329%0.29CS..G310 helixtrans-52.2-32.7-179-32.638.2000115.8L1222 K1225 V1226 D1238 Q1239L1222-P1236 HydrophobicContact CD1-CB 3.84Å; L1222-P1236 HydrophobicContact CD1-CG 4.2Å; K1225-P1236 HydrophobicContact CB-CB 3.71Å; K1225-P1236 HydrophobicContact CB-CG 4.16Å; K1225-P1236 HydrophobicContact CD-CB 4.19Å; K1225-P1236 WeakPolarHBondContact CD-O 3.38Å; K1225-P1236 PolarHBondContact NZ-O 3.3Å; V1226-P1236 HydrophobicContact CG2-CG 3.89Å; P1236-D1238 VanDerWaalsContact C-N 3.33Å; P1236-Q1239 PolarHBondContact O-N 2.96Å
1237S81.5Confident81.4Confident87 Ų8752.8 Ų52.861%0.60829%0.288SS*.G310 helixtrans-65.7-35.5-179.5-51.60000113I1235 Q1239I1235-S1237 PolarHBondContact O-N 3.2Å; I1235-S1237 VanDerWaalsContact O-N 3.07Å; S1237-Q1239 VanDerWaalsContact C-N 3.3Å
1238D85.8Confident81.6Confident61 Ų6151.3 Ų51.333%0.32628%0.282SS..G310 helixtrans-91.24.2-177.6-56.6-12.9000111.4V1234 I1235 P1236 S1270 D1271V1234-D1238 HydrophobicContact CG1-CB 3.64Å; I1235-D1238 HydrophobicContact CG1-CB 4.11Å; I1235-D1238 VanDerWaalsContact CG1-OD2 3.25Å; I1235-D1238 WeakPolarHBondContact CG1-OD2 3.24Å; I1235-D1238 PolarHBondContact O-N 3.43Å; I1235-D1238 VanDerWaalsContact O-N 3.09Å; P1236-D1238 VanDerWaalsContact C-N 3.33Å; D1238-S1270 CarbonylContact O-C 3.51Å; D1238-S1270 WeakPolarHBondContact O-CA 3.45Å; D1238-S1270 VanDerWaalsContact O-CB 3.22Å; D1238-S1270 WeakPolarHBondContact O-CB 3.44Å; D1238-D1271 HydrophobicContact CB-CB 4.35Å; D1238-D1271 PolarHBondContact O-N 3.05Å
1239Q89.4Confident81.6Confident2 Ų256 Ų561%0.00931%0.311CS..EExtended strand (participates in β ladder)trans-96.7124177.9-67.8175.532.500110.4K1225 V1234 I1235 P1236 S1237 L1268K1225-Q1239 VanDerWaalsContact CA-OE1 3.23Å; K1225-Q1239 HydrophobicContact CD-CB 4.49Å; K1225-Q1239 WeakPolarHBondContact CE-O 3.33Å; K1225-Q1239 HydrophobicContact CG-CB 4.34Å; K1225-Q1239 PolarHBondContact NZ-O 2.95Å; K1225-Q1239 PolarHBondContact O-NE2 2.86Å; K1225-Q1239 PolarHBondContact O-OE1 3.45Å; V1234-Q1239 HydrophobicContact CB-CG 4.09Å; V1234-Q1239 HydrophobicContact CG1-CG 3.84Å; V1234-Q1239 PolarHBondContact O-NE2 3.43Å; I1235-Q1239 WeakPolarHBondContact O-CG 3.31Å; P1236-Q1239 PolarHBondContact O-N 2.96Å; S1237-Q1239 VanDerWaalsContact C-N 3.3Å; Q1239-L1268 HydrophobicContact CB-CD1 3.92Å; Q1239-L1268 HydrophobicContact CG-CD1 4.33Å
1240H90.9Very high81.9Confident30 Ų3055 Ų5514%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-109.7115.9175.8-61.3-87.1000110.2E1247 L1268 W1269 D1271H1240-E1247 IonicContact CE1-OE1 2.63Å; H1240-E1247 IonicContact CG-OE1 3.35Å; H1240-E1247 IonicContact ND1-OE1 3.71Å; H1240-E1247 PolarHBondContact ND1-OE1 3.27Å; H1240-L1268 WeakPolarHBondContact O-CA 3.2Å; H1240-W1269 HydrophobicContact CB-CD2 3.52Å; H1240-W1269 HydrophobicContact CB-CE3 3.97Å; H1240-W1269 HydrophobicContact CB-CG 4.04Å; H1240-W1269 HydrophobicContact CB-CH2 3.77Å; H1240-W1269 HydrophobicContact CB-CZ2 3.31Å; H1240-W1269 HydrophobicContact CB-CZ3 4.08Å; H1240-W1269 AromaticContact CD2-CD1 3.94Å; H1240-W1269 AromaticContact CD2-NE1 3.62Å; H1240-W1269 AromaticContact CG-CE2 3.68Å; H1240-W1269 AromaticContact CG-CZ2 3.9Å; H1240-W1269 AromaticContact CG-NE1 3.48Å; H1240-W1269 PolarHBondContact N-O 3.2Å; H1240-W1269 PolarHBondContact O-N 3.04Å; H1240-W1269 VanDerWaalsContact O-N 3.08Å; H1240-D1271 IonicContact CD2-OD1 3.94Å; H1240-D1271 IonicContact CE1-OD1 3.5Å; H1240-D1271 IonicContact CE1-OD2 3.25Å; H1240-D1271 IonicContact NE2-OD1 3.69Å; H1240-D1271 PolarHBondContact NE2-OD1 3.2Å; H1240-D1271 IonicContact NE2-OD2 3.41Å; H1240-D1271 PolarHBondContact NE2-OD2 3.44Å; H1240-D1271 VanDerWaalsContact NE2-OD2 3.12Å
1241I93.7Very high82.5Confident1 Ų151.3 Ų51.31%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-113.7125.5-176.5-57176.3000108.8L1221 V1224 K1225 L1228 L1248 L1266 Y1267 L1268L1221-I1241 HydrophobicContact CD1-CB 4.4Å; L1221-I1241 HydrophobicContact CD1-CD1 3.93Å; V1224-I1241 HydrophobicContact CG1-CD1 4.25Å; K1225-I1241 HydrophobicContact CD-CD1 4.5Å; K1225-I1241 HydrophobicContact CG-CD1 3.6Å; L1228-I1241 HydrophobicContact CD1-CD1 3.69Å; L1228-I1241 HydrophobicContact CD1-CG1 4.49Å; I1241-L1248 HydrophobicContact CB-CD1 4.46Å; I1241-L1248 HydrophobicContact CG2-CD1 3.9Å; I1241-L1248 WeakPolarHBondContact O-CB 3.32Å; I1241-L1248 WeakPolarHBondContact O-CG 3.37Å; I1241-L1248 PolarHBondContact O-N 3.5Å; I1241-L1266 HydrophobicContact CG2-CB 3.95Å; I1241-L1266 HydrophobicContact CG2-CD1 4.18Å; I1241-L1266 HydrophobicContact CG2-CD2 4.48Å; I1241-L1266 HydrophobicContact CG2-CG 4.43Å; I1241-Y1267 CarbonylContact C-O 3.59Å; I1241-Y1267 WeakPolarHBondContact CA-O 3.28Å; I1241-L1268 HydrophobicContact CG1-CD1 3.7Å
1242M90.8Very high82.9Confident0 Ų051.6 Ų51.60%030%0.3CS..EExtended strand (participates in β ladder)trans-116.6141.2178.3-179.2165.279.700112.5F1073 A1076 L1077 L1246 Y1267 W1269F1073-M1242 HydrophobicContact CD2-SD 4.33Å; F1073-M1242 HydrophobicContact CE2-SD 3.92Å; A1076-M1242 HydrophobicContact CB-CE 3.25Å; A1076-M1242 WeakPolarHBondContact O-CE 3.39Å; L1077-M1242 HydrophobicContact CB-CE 4.23Å; L1077-M1242 VanDerWaalsContact N-CE 3.27Å; M1242-L1246 WeakPolarHBondContact CA-O 3.19Å; M1242-L1246 WeakPolarHBondContact CG-O 3.44Å; M1242-Y1267 PolarHBondContact N-O 3.49Å; M1242-Y1267 PolarHBondContact O-N 3.45Å; M1242-W1269 HydrophobicContact CB-CH2 4.23Å; M1242-W1269 HydrophobicContact CB-CZ3 3.8Å
1243S87.2Confident83.5Confident8 Ų853 Ų536%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-135.1137.5173.6-174.10000110.1G1245 L1246S1243-G1245 PolarHBondContact O-N 3.39Å; S1243-L1246 PolarHBondContact N-O 3.46Å; S1243-L1246 PolarHBondContact O-N 3.07Å; S1243-L1246 VanDerWaalsContact O-O 3.07Å
1244N76Confident84.6Confident106 Ų10652.5 Ų52.557%0.56729%0.293SS*.THydrogen-bonded Turntrans53.621.8178.3-74.1-29.8000116.4
1245G75.8Confident85.3Confident22 Ų2250.9 Ų50.923%0.22728%0.283CS..THydrogen-bonded Turntrans87.86.5-176.900000114.4C1080 S1243C1080-G1245 PolarHBondContact SG-N 2.88Å; S1243-G1245 PolarHBondContact O-N 3.39Å
1246L79Confident85.7Confident129 Ų12948.5 Ų48.568%0.67527%0.27SS*.EExtended strand (participates in β ladder)trans-117.7127.1176.7-65.1172.1000110.3M1242 S1243M1242-L1246 WeakPolarHBondContact CA-O 3.19Å; M1242-L1246 WeakPolarHBondContact CG-O 3.44Å; S1243-L1246 PolarHBondContact N-O 3.46Å; S1243-L1246 PolarHBondContact O-N 3.07Å; S1243-L1246 VanDerWaalsContact O-O 3.07Å
1247E87.3Confident85.7Confident68 Ų6853 Ų5332%0.31829%0.29SS..EExtended strand (participates in β ladder)trans-69.7132.1173.1-168.1178.7160.400110.3H1240 T1249 W1269H1240-E1247 IonicContact CE1-OE1 2.63Å; H1240-E1247 IonicContact CG-OE1 3.35Å; H1240-E1247 IonicContact ND1-OE1 3.71Å; H1240-E1247 PolarHBondContact ND1-OE1 3.27Å; E1247-T1249 HydrophobicContact CG-CG2 4.24Å; E1247-T1249 PolarHBondContact O-N 2.84Å; E1247-W1269 HydrophobicContact CG-CH2 4.13Å
1248L90.8Very high85.8Confident16 Ų1650.6 Ų50.68%0.08427%0.27CS..EExtended strand (participates in β ladder)trans-87.3102.4-180-52.6172.8000107.9L1221 I1241 L1258 I1260 L1266L1221-L1248 HydrophobicContact CD1-CB 4.05Å; L1221-L1248 HydrophobicContact CD1-CD1 4.06Å; L1221-L1248 HydrophobicContact CD2-CB 3.75Å; L1221-L1248 WeakPolarHBondContact CD2-O 3.41Å; I1241-L1248 HydrophobicContact CB-CD1 4.46Å; I1241-L1248 HydrophobicContact CG2-CD1 3.9Å; I1241-L1248 WeakPolarHBondContact O-CB 3.32Å; I1241-L1248 WeakPolarHBondContact O-CG 3.37Å; I1241-L1248 PolarHBondContact O-N 3.5Å; L1248-L1258 HydrophobicContact CD1-CD1 4.36Å; L1248-L1258 HydrophobicContact CD2-CB 4.41Å; L1248-L1258 HydrophobicContact CD2-CD1 4.43Å; L1248-L1258 HydrophobicContact CD2-CD2 4.22Å; L1248-I1260 HydrophobicContact CD1-CD1 3.5Å; L1248-L1266 HydrophobicContact CD1-CD2 4.34Å
1249T85.5Confident85.5Confident98 Ų9849.2 Ų49.260%0.60127%0.27SS*.  trans-104.6-18.1-175.754.20000113.5E1247 H1251E1247-T1249 HydrophobicContact CG-CG2 4.24Å; E1247-T1249 PolarHBondContact O-N 2.84Å; T1249-H1251 PolarHBondContact O-CE1 2.94Å; T1249-H1251 VanDerWaalsContact O-CE1 3.24Å; T1249-H1251 PolarHBondContact O-N 2.74Å; T1249-H1251 PolarHBondContact O-ND1 3.09Å
1250D86.7Confident85.3Confident49 Ų4949.1 Ų49.126%0.26227%0.27SS..  trans-84.9102.2-179.8-168.4-20.8000111L1221 T1252 K1253L1221-D1250 WeakPolarHBondContact CD2-O 3.49Å; D1250-T1252 VanDerWaalsContact C-N 3.27Å; D1250-T1252 PolarHBondContact O-N 3.42Å; D1250-T1252 PolarHBondContact OD1-N 3.04Å; D1250-T1252 VanDerWaalsContact OD1-N 3.15Å; D1250-T1252 PolarHBondContact OD1-OG1 3.05Å; D1250-K1253 HydrophobicContact CB-CB 4.46Å; D1250-K1253 HydrophobicContact CB-CD 4.02Å; D1250-K1253 HydrophobicContact CB-CG 4.27Å; D1250-K1253 WeakPolarHBondContact OD2-CD 3.28Å; D1250-K1253 WeakPolarHBondContact OD2-CE 3.47Å; D1250-K1253 WeakPolarHBondContact OD2-CG 3.34Å; D1250-K1253 IonicContact OD2-NZ 3.6Å; D1250-K1253 PolarHBondContact OD2-NZ 3.3Å
1251H86.7Confident84.8Confident67 Ų6748.5 Ų48.531%0.3127%0.271SS..SBendtrans-72.8-20.1-175-63.582.1000113.6L1222 K1225 T1249L1222-H1251 HydrophobicContact CB-CB 4.34Å; L1222-H1251 WeakPolarHBondContact CB-O 3.35Å; L1222-H1251 PolarHBondContact N-O 3.41Å; K1225-H1251 PolarHBondContact NZ-NE2 3.08Å; T1249-H1251 PolarHBondContact O-CE1 2.94Å; T1249-H1251 VanDerWaalsContact O-CE1 3.24Å; T1249-H1251 PolarHBondContact O-N 2.74Å; T1249-H1251 PolarHBondContact O-ND1 3.09Å
1252T81.9Confident83.9Confident109 Ų10951 Ų5167%0.66929%0.289SS*.SBendtrans-85.5-24.7-17665.10000112.2T1220 D1250T1220-T1252 WeakPolarHBondContact CG2-O 3.1Å; D1250-T1252 VanDerWaalsContact C-N 3.27Å; D1250-T1252 PolarHBondContact O-N 3.42Å; D1250-T1252 PolarHBondContact OD1-N 3.04Å; D1250-T1252 VanDerWaalsContact OD1-N 3.15Å; D1250-T1252 PolarHBondContact OD1-OG1 3.05Å
1253K88.1Confident83.2Confident86 Ų8660.3 Ų60.337%0.37433%0.329SS..SBendtrans-70.6137.7-178.6-77.8179.4-179.7157.20112.8T1220 L1221 D1250 E1257 L1258T1220-K1253 CarbonylContact C-O 3.6Å; T1220-K1253 VanDerWaalsContact CA-O 3.3Å; T1220-K1253 WeakPolarHBondContact CA-O 3.37Å; L1221-K1253 PolarHBondContact N-O 3.32Å; D1250-K1253 HydrophobicContact CB-CB 4.46Å; D1250-K1253 HydrophobicContact CB-CD 4.02Å; D1250-K1253 HydrophobicContact CB-CG 4.27Å; D1250-K1253 WeakPolarHBondContact OD2-CD 3.28Å; D1250-K1253 WeakPolarHBondContact OD2-CE 3.47Å; D1250-K1253 WeakPolarHBondContact OD2-CG 3.34Å; D1250-K1253 IonicContact OD2-NZ 3.6Å; D1250-K1253 PolarHBondContact OD2-NZ 3.3Å; K1253-E1257 WeakPolarHBondContact CA-OE2 3.13Å; K1253-E1257 HydrophobicContact CB-CB 3.99Å; K1253-E1257 HydrophobicContact CD-CB 4.34Å; K1253-E1257 HydrophobicContact CG-CB 4.07Å; K1253-L1258 HydrophobicContact CB-CD1 4.37Å; K1253-L1258 HydrophobicContact CB-CD2 3.8Å; K1253-L1258 HydrophobicContact CB-CG 3.8Å; K1253-L1258 HydrophobicContact CD-CD2 3.92Å
1254T90.2Very high82.9Confident27 Ų2761.5 Ų61.517%0.16634%0.336CS..BIsolated β-bridgetrans-67.3157.2170.663.30000111.2S1217 D1219 T1220 Q1256 E1257 L1258S1217-T1254 WeakPolarHBondContact O-CB 3.39Å; D1219-T1254 CarbonylContact O-C 3.58Å; D1219-T1254 WeakPolarHBondContact O-CA 3.24Å; T1220-T1254 HydrophobicContact CG2-CG2 4.41Å; T1254-Q1256 PolarHBondContact O-N 3.13Å; T1254-E1257 PolarHBondContact N-OE2 3.38Å; T1254-E1257 PolarHBondContact O-N 3.07Å; T1254-E1257 VanDerWaalsContact OG1-CG 3.27Å; T1254-E1257 WeakPolarHBondContact OG1-CG 3.4Å; T1254-E1257 PolarHBondContact OG1-N 2.84Å; T1254-E1257 VanDerWaalsContact OG1-N 3.14Å; T1254-E1257 PolarHBondContact OG1-OE2 3.1Å; T1254-L1258 WeakPolarHBondContact O-CG 3.25Å; T1254-L1258 PolarHBondContact O-N 2.88Å
1255L88.2Confident83.4Confident0 Ų058.6 Ų58.60%032%0.32CS..THydrogen-bonded Turntrans-56.2-31.8172.8-68.8-177.5000112F1060 I1065 V1215 S1217 D1219 V1224 L1258 G1259 I1260F1060-L1255 HydrophobicContact CE2-CD1 4.41Å; F1060-L1255 HydrophobicContact CZ-CB 4.29Å; F1060-L1255 HydrophobicContact CZ-CD1 4.26Å; I1065-L1255 HydrophobicContact CD1-CD1 3.93Å; V1215-L1255 HydrophobicContact CB-CD1 3.77Å; V1215-L1255 HydrophobicContact CG1-CD1 4.24Å; V1215-L1255 HydrophobicContact CG2-CD1 3.65Å; S1217-L1255 PolarHBondContact O-N 2.89Å; D1219-L1255 WeakPolarHBondContact O-CG 3.45Å; D1219-L1255 PolarHBondContact O-N 2.87Å; V1224-L1255 HydrophobicContact CG2-CD1 3.87Å; V1224-L1255 HydrophobicContact CG2-CD2 3.89Å; V1224-L1255 HydrophobicContact CG2-CG 4.06Å; L1255-L1258 PolarHBondContact O-N 2.78Å; L1255-G1259 PolarHBondContact O-N 2.73Å; L1255-I1260 HydrophobicContact CB-CB 4.28Å; L1255-I1260 HydrophobicContact CD2-CB 4.27Å; L1255-I1260 HydrophobicContact CD2-CD1 3.52Å; L1255-I1260 HydrophobicContact CD2-CG1 4.49Å; L1255-I1260 HydrophobicContact CD2-CG2 4.31Å; L1255-I1260 WeakPolarHBondContact O-CB 3.27Å; L1255-I1260 PolarHBondContact O-N 2.79Å
1256Q82.5Confident84.2Confident33 Ų3357.6 Ų57.615%0.15431%0.31CS..THydrogen-bonded Turntrans-63.7-50.1172.4-171.5-179.5-6.700112.2I1055 S1217 T1254 L1258 G1259I1055-Q1256 HydrophobicContact CG2-CG 3.88Å; I1055-Q1256 VanDerWaalsContact O-CG 3.31Å; I1055-Q1256 WeakPolarHBondContact O-CG 3.48Å; I1055-Q1256 PolarHBondContact O-NE2 3.45Å; S1217-Q1256 PolarHBondContact O-N 2.82Å; S1217-Q1256 VanDerWaalsContact O-N 3.08Å; T1254-Q1256 PolarHBondContact O-N 3.13Å; Q1256-L1258 PolarHBondContact O-N 3.05Å; Q1256-G1259 PolarHBondContact O-N 3.3Å
1257E81.3Confident84.8Confident114 Ų11451.7 Ų51.753%0.53328%0.278SS..THydrogen-bonded Turntrans-64.7-26.7177.6-72.7164.5162.900112.8K1253 T1254 G1259K1253-E1257 WeakPolarHBondContact CA-OE2 3.13Å; K1253-E1257 HydrophobicContact CB-CB 3.99Å; K1253-E1257 HydrophobicContact CD-CB 4.34Å; K1253-E1257 HydrophobicContact CG-CB 4.07Å; T1254-E1257 PolarHBondContact N-OE2 3.38Å; T1254-E1257 PolarHBondContact O-N 3.07Å; T1254-E1257 VanDerWaalsContact OG1-CG 3.27Å; T1254-E1257 WeakPolarHBondContact OG1-CG 3.4Å; T1254-E1257 PolarHBondContact OG1-N 2.84Å; T1254-E1257 VanDerWaalsContact OG1-N 3.14Å; T1254-E1257 PolarHBondContact OG1-OE2 3.1Å; E1257-G1259 VanDerWaalsContact C-N 3.3Å
1258L84.7Confident85.1Confident36 Ų3648.6 Ų48.619%0.18826%0.264CS..THydrogen-bonded Turntrans-83.2-1.3173.1-64.3174.5000113.5L1221 L1248 K1253 T1254 L1255 Q1256 I1260L1221-L1258 HydrophobicContact CB-CD1 3.85Å; L1221-L1258 HydrophobicContact CD1-CD1 4.29Å; L1221-L1258 HydrophobicContact CD2-CD1 4.45Å; L1221-L1258 HydrophobicContact CG-CD1 4.42Å; L1248-L1258 HydrophobicContact CD1-CD1 4.36Å; L1248-L1258 HydrophobicContact CD2-CB 4.41Å; L1248-L1258 HydrophobicContact CD2-CD1 4.43Å; L1248-L1258 HydrophobicContact CD2-CD2 4.22Å; K1253-L1258 HydrophobicContact CB-CD1 4.37Å; K1253-L1258 HydrophobicContact CB-CD2 3.8Å; K1253-L1258 HydrophobicContact CB-CG 3.8Å; K1253-L1258 HydrophobicContact CD-CD2 3.92Å; T1254-L1258 WeakPolarHBondContact O-CG 3.25Å; T1254-L1258 PolarHBondContact O-N 2.88Å; L1255-L1258 PolarHBondContact O-N 2.78Å; Q1256-L1258 PolarHBondContact O-N 3.05Å; L1258-I1260 VanDerWaalsContact C-N 3.34Å; L1258-I1260 HydrophobicContact CB-CD1 3.67Å; L1258-I1260 HydrophobicContact CB-CG1 3.97Å; L1258-I1260 HydrophobicContact CD1-CD1 4.08Å; L1258-I1260 PolarHBondContact O-N 3.48Å
1259G79.9Confident85Confident33 Ų3349.1 Ų49.134%0.3427%0.265SS..THydrogen-bonded Turntrans68.128.218000000114.3L1255 Q1256 E1257L1255-G1259 PolarHBondContact O-N 2.73Å; Q1256-G1259 PolarHBondContact O-N 3.3Å; E1257-G1259 VanDerWaalsContact C-N 3.3Å
1260I84Confident84.9Confident0 Ų046.8 Ų46.80%025%0.253CS..  trans-94.9100.8-175.5-61166.1000109.6F1060 I1065 L1248 L1255 L1258 T1264 L1266F1060-I1260 WeakPolarHBondContact CE1-O 3.37Å; F1060-I1260 VanDerWaalsContact CZ-O 3.25Å; F1060-I1260 WeakPolarHBondContact CZ-O 3.39Å; I1065-I1260 HydrophobicContact CD1-CG2 3.74Å; L1248-I1260 HydrophobicContact CD1-CD1 3.5Å; L1255-I1260 HydrophobicContact CB-CB 4.28Å; L1255-I1260 HydrophobicContact CD2-CB 4.27Å; L1255-I1260 HydrophobicContact CD2-CD1 3.52Å; L1255-I1260 HydrophobicContact CD2-CG1 4.49Å; L1255-I1260 HydrophobicContact CD2-CG2 4.31Å; L1255-I1260 WeakPolarHBondContact O-CB 3.27Å; L1255-I1260 PolarHBondContact O-N 2.79Å; L1258-I1260 VanDerWaalsContact C-N 3.34Å; L1258-I1260 HydrophobicContact CB-CD1 3.67Å; L1258-I1260 HydrophobicContact CB-CG1 3.97Å; L1258-I1260 HydrophobicContact CD1-CD1 4.08Å; L1258-I1260 PolarHBondContact O-N 3.48Å; I1260-T1264 HydrophobicContact CG2-CG2 4.23Å; I1260-L1266 HydrophobicContact CD1-CD2 4.06Å; I1260-L1266 HydrophobicContact CG1-CD2 4.29Å; I1260-L1266 HydrophobicContact CG2-CD1 4.41Å; I1260-L1266 HydrophobicContact CG2-CD2 4.05Å
1261G80.3Confident84.4Confident16 Ų1648.4 Ų48.417%0.16526%0.262CS..  trans-76.6166.2175.700000116K1263 T1264G1261-K1263 PolarHBondContact O-N 3.15Å; G1261-T1264 PolarHBondContact N-OG1 3.37Å; G1261-T1264 WeakPolarHBondContact O-CB 3.25Å; G1261-T1264 PolarHBondContact O-N 3.12Å; G1261-T1264 PolarHBondContact O-OG1 2.96Å
1262S76.1Confident83Confident54 Ų5451.5 Ų51.538%0.37828%0.28SS..THydrogen-bonded Turntrans-58.9-11.3-175.563.10000117.3
1263K75Confident81.3Confident196 Ų19650.6 Ų50.685%0.85228%0.276SS*.THydrogen-bonded Turntrans-1184.1-179.9-67-179.1-176.2168.60113.6G1261G1261-K1263 PolarHBondContact O-N 3.15Å
1264T80.4Confident78.7Confident33 Ų3353 Ų5320%0.20230%0.299CS..PPolyproline II helixtrans-65.3144-179.4-55.30000110.4I1065 I1260 G1261 L1266I1065-T1264 WeakPolarHBondContact CG2-O 3.5Å; I1260-T1264 HydrophobicContact CG2-CG2 4.23Å; G1261-T1264 PolarHBondContact N-OG1 3.37Å; G1261-T1264 WeakPolarHBondContact O-CB 3.25Å; G1261-T1264 PolarHBondContact O-N 3.12Å; G1261-T1264 PolarHBondContact O-OG1 2.96Å; T1264-L1266 HydrophobicContact CG2-CD2 4.08Å
1265I87.6Confident75.7Confident45 Ų4562.2 Ų62.223%0.23133%0.33CS..EExtended strand (participates in β ladder)trans-100120169-57.9176.8000106.5R1066 R1068 Y1267R1066-I1265 HydrophobicContact CB-CG1 4.32Å; R1066-I1265 WeakPolarHBondContact O-CA 3.16Å; R1068-I1265 HydrophobicContact CB-CG2 4.11Å; I1265-Y1267 HydrophobicContact CG2-CE2 4.46Å
1266L91.6Very high72.8Confident1 Ų166.6 Ų66.61%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-94.4140.7173.4-58.9177.2000109I1065 R1066 I1067 R1068 I1241 L1248 I1260 T1264I1065-L1266 HydrophobicContact CG2-CD1 3.86Å; I1065-L1266 HydrophobicContact CG2-CG 3.95Å; R1066-L1266 PolarHBondContact O-N 3.45Å; I1067-L1266 CarbonylContact C-O 3.44Å; I1067-L1266 VanDerWaalsContact CA-O 3.28Å; I1067-L1266 WeakPolarHBondContact CA-O 3.26Å; I1067-L1266 HydrophobicContact CG1-CB 4.34Å; R1068-L1266 PolarHBondContact N-O 2.86Å; I1241-L1266 HydrophobicContact CG2-CB 3.95Å; I1241-L1266 HydrophobicContact CG2-CD1 4.18Å; I1241-L1266 HydrophobicContact CG2-CD2 4.48Å; I1241-L1266 HydrophobicContact CG2-CG 4.43Å; L1248-L1266 HydrophobicContact CD1-CD2 4.34Å; I1260-L1266 HydrophobicContact CD1-CD2 4.06Å; I1260-L1266 HydrophobicContact CG1-CD2 4.29Å; I1260-L1266 HydrophobicContact CG2-CD1 4.41Å; I1260-L1266 HydrophobicContact CG2-CD2 4.05Å; T1264-L1266 HydrophobicContact CG2-CD2 4.08Å
1267Y92.2Very high70.5Confident4 Ų468.6 Ų68.62%0.01637%0.37CS..EExtended strand (participates in β ladder)trans-104.7128.6178.3-60.4-94.1000108.6R1068 V1070 S1079 C1080 S1083 I1241 M1242 I1265R1068-Y1267 HydrophobicContact CB-CD1 4.07Å; R1068-Y1267 HydrophobicContact CB-CE1 4.37Å; R1068-Y1267 HydrophobicContact CG-CD1 4.24Å; R1068-Y1267 HydrophobicContact CG-CE1 4.45Å; R1068-Y1267 WeakPolarHBondContact O-CA 3.15Å; V1070-Y1267 HydrophobicContact CG1-CD1 4.06Å; S1079-Y1267 VanDerWaalsContact CB-CE1 3.41Å; S1079-Y1267 PolarHBondContact O-OH 2.91Å; S1079-Y1267 VanDerWaalsContact O-OH 3.04Å; C1080-Y1267 HydrophobicContact CB-CE2 4.03Å; S1083-Y1267 PolarHBondContact OG-OH 3.38Å; I1241-Y1267 CarbonylContact C-O 3.59Å; I1241-Y1267 WeakPolarHBondContact CA-O 3.28Å; M1242-Y1267 PolarHBondContact N-O 3.49Å; M1242-Y1267 PolarHBondContact O-N 3.45Å; I1265-Y1267 HydrophobicContact CG2-CE2 4.46Å
1268L92.7Very high68.1Low4 Ų469.7 Ų69.72%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-125.9126.7-173.9171.368.6000110.9I1067 R1068 L1069 V1070 L1228 L1232 Q1239 H1240 I1241I1067-L1268 HydrophobicContact CG2-CB 3.67Å; I1067-L1268 HydrophobicContact CG2-CD2 3.89Å; I1067-L1268 HydrophobicContact CG2-CG 4.49Å; R1068-L1268 PolarHBondContact O-N 2.88Å; L1069-L1268 WeakPolarHBondContact CA-O 3.29Å; L1069-L1268 HydrophobicContact CD2-CB 4.46Å; L1069-L1268 HydrophobicContact CD2-CD2 3.97Å; L1069-L1268 HydrophobicContact CD2-CG 4.3Å; V1070-L1268 PolarHBondContact N-O 3.47Å; L1228-L1268 HydrophobicContact CD1-CD1 4.45Å; L1228-L1268 HydrophobicContact CD1-CD2 3.73Å; L1228-L1268 HydrophobicContact CD2-CD2 3.89Å; L1228-L1268 HydrophobicContact CG-CD2 4.34Å; L1232-L1268 HydrophobicContact CD1-CD2 3.16Å; L1232-L1268 HydrophobicContact CD1-CG 4.32Å; Q1239-L1268 HydrophobicContact CB-CD1 3.92Å; Q1239-L1268 HydrophobicContact CG-CD1 4.33Å; H1240-L1268 WeakPolarHBondContact O-CA 3.2Å; I1241-L1268 HydrophobicContact CG1-CD1 3.7Å
1269W89.3Confident65.2Low26 Ų2678.5 Ų78.510%0.09841%0.41CS..EExtended strand (participates in β ladder)trans-126.6167162.869.799.6000109.2V1070 F1073 A1076 H1240 M1242 E1247V1070-W1269 HydrophobicContact CG2-CB 4.17Å; V1070-W1269 HydrophobicContact CG2-CE3 4.05Å; V1070-W1269 WeakPolarHBondContact O-CB 3.24Å; F1073-W1269 HydrophobicContact CB-CH2 4.37Å; F1073-W1269 HydrophobicContact CB-CZ2 4.02Å; F1073-W1269 AromaticContact CD2-CH2 3.8Å; F1073-W1269 HydrophobicContact CD2-CH2 3.8Å; F1073-W1269 HydrophobicContact CD2-CZ2 4.02Å; A1076-W1269 HydrophobicContact CB-CE3 4.15Å; A1076-W1269 HydrophobicContact CB-CZ3 3.99Å; H1240-W1269 HydrophobicContact CB-CD2 3.52Å; H1240-W1269 HydrophobicContact CB-CE3 3.97Å; H1240-W1269 HydrophobicContact CB-CG 4.04Å; H1240-W1269 HydrophobicContact CB-CH2 3.77Å; H1240-W1269 HydrophobicContact CB-CZ2 3.31Å; H1240-W1269 HydrophobicContact CB-CZ3 4.08Å; H1240-W1269 AromaticContact CD2-CD1 3.94Å; H1240-W1269 AromaticContact CD2-NE1 3.62Å; H1240-W1269 AromaticContact CG-CE2 3.68Å; H1240-W1269 AromaticContact CG-CZ2 3.9Å; H1240-W1269 AromaticContact CG-NE1 3.48Å; H1240-W1269 PolarHBondContact N-O 3.2Å; H1240-W1269 PolarHBondContact O-N 3.04Å; H1240-W1269 VanDerWaalsContact O-N 3.08Å; M1242-W1269 HydrophobicContact CB-CH2 4.23Å; M1242-W1269 HydrophobicContact CB-CZ3 3.8Å; E1247-W1269 HydrophobicContact CG-CH2 4.13Å
1270S84.5Confident62.6Low50 Ų5082.5 Ų82.535%0.3543%0.428SS..EExtended strand (participates in β ladder)trans-124.4151.3174.553.60000110.7D1238 D1272D1238-S1270 CarbonylContact O-C 3.51Å; D1238-S1270 WeakPolarHBondContact O-CA 3.45Å; D1238-S1270 VanDerWaalsContact O-CB 3.22Å; D1238-S1270 WeakPolarHBondContact O-CB 3.44Å; S1270-D1272 PolarHBondContact O-N 2.92Å
1271D76Confident59.9Low83 Ų8387.7 Ų87.744%0.44446%0.464SS..  trans-60.5133.1167.6-79.1-24.8000109.4D1238 H1240D1238-D1271 HydrophobicContact CB-CB 4.35Å; D1238-D1271 PolarHBondContact O-N 3.05Å; H1240-D1271 IonicContact CD2-OD1 3.94Å; H1240-D1271 IonicContact CE1-OD1 3.5Å; H1240-D1271 IonicContact CE1-OD2 3.25Å; H1240-D1271 IonicContact NE2-OD1 3.69Å; H1240-D1271 PolarHBondContact NE2-OD1 3.2Å; H1240-D1271 IonicContact NE2-OD2 3.41Å; H1240-D1271 PolarHBondContact NE2-OD2 3.44Å; H1240-D1271 VanDerWaalsContact NE2-OD2 3.12Å
1272D56.6Low57.2Low131 Ų13196.7 Ų96.770%0.70150%0.499SS*.  trans-64.8138.7167.6-74.9-37.1000108.1S1270 T1274S1270-D1272 PolarHBondContact O-N 2.92Å; D1272-T1274 PolarHBondContact O-N 3.36Å
1273P45.2Very low54.7Low90 Ų90100.4 Ų100.458%0.58452%0.515SS*.  trans-55.6113.8-178.220.3-30.7000109.8W1275P1273-W1275 PolarHBondContact O-N 2.98Å
1274T33.7Very low52.3Low137 Ų13798.7 Ų98.784%0.8452%0.515SS*.  trans-65.1105.1176.144.40000108.2D1272 D1276D1272-T1274 PolarHBondContact O-N 3.36Å; T1274-D1276 PolarHBondContact O-N 3.03Å
1275W27.5Very low49.6Very low220 Ų220100.8 Ų100.883%0.83354%0.543SS*.  trans-70.798.817217958.2000108.2P1273 P1277P1273-W1275 PolarHBondContact O-N 2.98Å; W1275-P1277 HydrophobicContact CE3-CG 4.21Å; W1275-P1277 HydrophobicContact CH2-CB 4.31Å; W1275-P1277 HydrophobicContact CZ2-CB 4.45Å; W1275-P1277 HydrophobicContact CZ3-CB 4.44Å; W1275-P1277 HydrophobicContact CZ3-CG 4.19Å; W1275-P1277 VanDerWaalsContact O-CD 3.22Å; W1275-P1277 WeakPolarHBondContact O-CD 3.47Å
1276D26.9Very low46.5Very low93 Ų93104.9 Ų104.950%0.49757%0.57SS.*  trans-75.5109.3168.4-1780.1000108.9T1274 N1278 R1279T1274-D1276 PolarHBondContact O-N 3.03Å; D1276-N1278 PolarHBondContact O-N 3.44Å; D1276-N1278 VanDerWaalsContact O-N 3.12Å; D1276-N1278 WeakPolarHBondContact OD1-CB 3.43Å; D1276-N1278 PolarHBondContact OD1-N 3.3Å; D1276-R1279 PolarHBondContact O-N 3.14Å
1277P35.8Very low43.1Very low74 Ų74114.6 Ų114.648%0.48161%0.613SS.*THydrogen-bonded Turntrans-67.8-10.8-177.9-13.429.4000113W1275W1275-P1277 HydrophobicContact CE3-CG 4.21Å; W1275-P1277 HydrophobicContact CH2-CB 4.31Å; W1275-P1277 HydrophobicContact CZ2-CB 4.45Å; W1275-P1277 HydrophobicContact CZ3-CB 4.44Å; W1275-P1277 HydrophobicContact CZ3-CG 4.19Å; W1275-P1277 VanDerWaalsContact O-CD 3.22Å; W1275-P1277 WeakPolarHBondContact O-CD 3.47Å
1278N30.7Very low39.7Very low138 Ų138123.2 Ų123.274%0.73865%0.65SS**THydrogen-bonded Turntrans-89-4.3-177.6-64-38.6000113.5D1276 T1280D1276-N1278 PolarHBondContact O-N 3.44Å; D1276-N1278 VanDerWaalsContact O-N 3.12Å; D1276-N1278 WeakPolarHBondContact OD1-CB 3.43Å; D1276-N1278 PolarHBondContact OD1-N 3.3Å; N1278-T1280 PolarHBondContact O-N 2.9Å; N1278-T1280 VanDerWaalsContact O-N 3.12Å
1279R23.3Very low36.4Very low221 Ų221131.2 Ų131.283%0.83469%0.692SS**SBendtrans-86.139.5175.7-141.9-179.3-145.4-108.23.2113.2D1276D1276-R1279 PolarHBondContact O-N 3.14Å
1280T26.2Very low33.2Very low117 Ų117135.9 Ų135.972%0.71872%0.724SS**  trans-148.796.4160.747.70000109.3N1278N1278-T1280 PolarHBondContact O-N 2.9Å; N1278-T1280 VanDerWaalsContact O-N 3.12Å
1281S25.8Very low30.2Very low108 Ų108139.9 Ų139.976%0.75575%0.746SS**  trans176.5115.4135.4440000110.5
1282F24.6Very low27.7Very low206 Ų206144.9 Ų144.990%0.90477%0.767SS**SBendtrans-69.5134.7136.9-89.9-97.4000106.9
1283D23.4Very low26Very low132 Ų132148.8 Ų148.871%0.70678%0.778SS**SBendtrans7896.3169-63-25.3000121.1
1284N24.4Very low25.2Very low159 Ų159150.1 Ų150.185%0.8579%0.789SS**  41113.4123.2-70.5-24000119.9
1285G23.7Very low24.6Very low77 Ų77152.8 Ų152.879%0.79479%0.789SS**  trans161.389.4156.100000114.5F1287G1285-F1287 PolarHBondContact O-N 3.14Å
1286T21.2Very low24.5Very low132 Ų132149.2 Ų149.281%0.8179%0.785SS**  trans-49121.6171.6-47.90000112.8
1287F21.2Very low24.4Very low204 Ų204151.5 Ų151.590%0.89580%0.798SS**  trans-144.9121151.8-112.3-84.2000112.1G1285G1285-F1287 PolarHBondContact O-N 3.14Å
1288K20.3Very low23.9Very low185 Ų185153.7 Ų153.780%0.80482%0.815SS**  trans-61137.1171.5-66.3170.7174176.70109.9
1289L23.5Very low23.8Very low172 Ų172152.8 Ų152.890%0.90182%0.816SS**  trans-121116.6158.1-124.289.5000110.4
1290T21.9Very low23.8Very low125 Ų125148.3 Ų148.377%0.76782%0.818SS**  trans-70.4145.1175.339.20000112.4
1291T21.3Very low23.7Very low133 Ų133152.6 Ų152.682%0.81683%0.826SS**  trans-49.3129.2164.647.40000113.7
1292Q24.9Very low23.7Very low189 Ų189152.7 Ų152.788%0.88383%0.827SS**  trans-133116146.3-79.5-169.3-8.500109.9
1293K20.9Very low23.6Very low213 Ų213149 Ų14993%0.92682%0.822SS**  trans-75.6128.1160.4-74.1173.5174.3172.40107.9
1294S27.6Very low23.7Very low117 Ų117148 Ų14882%0.81883%0.825SS**  trans-154.6134.4146.754.50000110.9
1295K22.2Very low23.7Very low193 Ų193149.1 Ų149.184%0.83983%0.825SS**  trans-69.5165.7-179.7-68.9170.6170.2177.70112.8
1296L25.2Very low23.8Very low145 Ų145148.9 Ų148.976%0.75981%0.811SS**  trans95.3109.4149.6-74.8134.5000119.8
1297N23.7Very low24Very low142 Ų142149.2 Ų149.276%0.75981%0.807SS**  51.5105129.9-67.4-0.4000120.9
1298S26.9Very low24.2Very low119 Ų119144.6 Ų144.683%0.83279%0.788SS**  144.1151.6121.4650000112.3
1299P28.5Very low24.5Very low119 Ų119141.8 Ų141.877%0.77379%0.786SS**  trans-100.4118.4-154.435.2-26.6000113.1
1300C21.8Very low25Very low128 Ų128139.1 Ų139.187%0.86577%0.769SS**  trans-126.687.2154.7-74.70000108.1S1302C1300-S1302 VanDerWaalsContact C-N 3.33Å; C1300-S1302 PolarHBondContact O-N 3.29Å; C1300-S1302 VanDerWaalsContact O-N 3.14Å
1301K24.9Very low25.4Very low206 Ų206137.5 Ų137.590%0.89676%0.763SS**  trans-77.987.4165.9-76.6-174.8176.1-176.80107.7
1302S25.3Very low25.9Very low110 Ų110133.4 Ų133.477%0.76975%0.747SS**  trans-68.5123.6153.543.10000107.3C1300 S1304C1300-S1302 VanDerWaalsContact C-N 3.33Å; C1300-S1302 PolarHBondContact O-N 3.29Å; C1300-S1302 VanDerWaalsContact O-N 3.14Å; S1302-S1304 PolarHBondContact O-N 3.04Å
1303T23Very low26.5Very low130 Ų130126 Ų12680%0.79871%0.712SS**  trans-6398.6174.7430000109.1E1305T1303-E1305 PolarHBondContact O-N 2.93Å; T1303-E1305 VanDerWaalsContact O-N 3.16Å
1304S26.1Very low27.5Very low110 Ų110123.5 Ų123.577%0.76970%0.701SS**  trans-67.1105.5157.754.40000106.5S1302 S1306S1302-S1304 PolarHBondContact O-N 3.04Å; S1304-S1306 PolarHBondContact O-N 2.94Å
1305E24Very low28.2Very low182 Ų182120 Ų12085%0.8568%0.684SS**  trans-54.6108.4166.8-74.1-178.9149.100107.6T1303 I1307T1303-E1305 PolarHBondContact O-N 2.93Å; T1303-E1305 VanDerWaalsContact O-N 3.16Å; E1305-I1307 PolarHBondContact O-N 2.71Å; E1305-I1307 VanDerWaalsContact O-N 3.15Å
1306S25.8Very low29.3Very low73 Ų73111.3 Ų111.351%0.5165%0.646SS.*  trans-64.3115.217443.90000107.7S1304 H1308S1304-S1306 PolarHBondContact O-N 2.94Å; S1306-H1308 PolarHBondContact O-CD2 2.94Å; S1306-H1308 PolarHBondContact O-N 3.2Å
1307I25.1Very low30.4Very low138 Ų138114.2 Ų114.271%0.70865%0.647SS**  trans-58.3106.4170.2-63.3170.8000106.3E1305 T1309E1305-I1307 PolarHBondContact O-N 2.71Å; E1305-I1307 VanDerWaalsContact O-N 3.15Å; I1307-T1309 PolarHBondContact O-N 2.9Å
1308H26.5Very low31.5Very low108 Ų108107.7 Ų107.750%0.561%0.613SS.*  trans-69.796.1177.2-73.4-80.1000108.5Y275 S1306Y275-H1308 PolarHBondContact O-CE1 3.29Å; S1306-H1308 PolarHBondContact O-CD2 2.94Å; S1306-H1308 PolarHBondContact O-N 3.2Å
1309T24.9Very low32.1Very low126 Ų126107.9 Ų107.977%0.77360%0.604SS**  trans-82.2113.9165.643.20000109I1307I1307-T1309 PolarHBondContact O-N 2.9Å
1310E34Very low32.5Very low116 Ų116109.5 Ų109.554%0.54260%0.601SS.*  trans-84.5135175.5-74-178.4172.700111.3
1311S31Very low33.1Very low90 Ų90109.2 Ų109.263%0.62959%0.585SS**  trans-99.7130.6159.950.50000107.3R282R282-S1311 VanDerWaalsContact CZ-O 3.31Å; R282-S1311 PolarHBondContact NH2-O 2.76Å; R282-S1311 PolarHBondContact NH2-OG 3.44Å
1312G31.9Very low33.5Very low47 Ų47104.4 Ų104.449%0.48557%0.57SS.*  trans-63.7-175.9-176.100000114.6R282R282-G1312 PolarHBondContact NH1-O 3.25Å; R282-G1312 PolarHBondContact NH2-O 3.22Å
1313F36.8Very low33.9Very low33 Ų33104.1 Ų104.115%0.14556%0.559CS.*SBendtrans-56.5169.1155.3-73.6-110.4000109.2D160 P343 G1315D160-F1313 HydrophobicContact CB-CB 3.97Å; D160-F1313 HydrophobicContact CB-CD2 3.62Å; D160-F1313 HydrophobicContact CB-CE2 4.32Å; D160-F1313 HydrophobicContact CB-CG 3.97Å; D160-F1313 VanDerWaalsContact CG-CD2 3.5Å; D160-F1313 WeakPolarHBondContact OD2-CD2 3.46Å; P343-F1313 WeakPolarHBondContact O-CE1 3.45Å; P343-F1313 WeakPolarHBondContact O-CE2 3.25Å; P343-F1313 WeakPolarHBondContact O-CZ 3.46Å; F1313-G1315 PolarHBondContact O-N 2.78Å
1314K42Very low34.5Very low162 Ų162102.7 Ų102.770%0.70455%0.546SS*.SBendtrans-47.8118.9166.6-81.5-176.7-178.6174.70107E157 T1316E157-K1314 IonicContact OE1-NZ 2.94Å; K1314-T1316 PolarHBondContact O-N 2.75Å
1315G42.4Very low35Very low44 Ų44102.2 Ų102.245%0.45453%0.533SS..PPolyproline II helixtrans-52133.6-169.500000110.8E163 F1313 R1317E163-G1315 WeakPolarHBondContact OE1-CA 3.41Å; F1313-G1315 PolarHBondContact O-N 2.78Å; G1315-R1317 PolarHBondContact O-N 3.32Å; G1315-R1317 VanDerWaalsContact O-N 3.08Å
1316T45.5Very low35.7Very low9 Ų997.3 Ų97.36%0.05551%0.513CS..  trans-58.7112.8-179.7-59.90000108.9Q159 E163 F164 L167 K1314 L1318Q159-T1316 HydrophobicContact CB-CG2 4.31Å; Q159-T1316 HydrophobicContact CG-CG2 4.19Å; Q159-T1316 VanDerWaalsContact OE1-CA 3.27Å; Q159-T1316 PolarHBondContact OE1-OG1 3.02Å; E163-T1316 PolarHBondContact OE1-N 3.22Å; E163-T1316 VanDerWaalsContact OE2-CB 3.25Å; E163-T1316 WeakPolarHBondContact OE2-CB 3.39Å; E163-T1316 PolarHBondContact OE2-N 3.05Å; E163-T1316 PolarHBondContact OE2-OG1 3.06Å; F164-T1316 HydrophobicContact CB-CG2 4.32Å; F164-T1316 HydrophobicContact CD2-CG2 4.29Å; L167-T1316 HydrophobicContact CD1-CG2 3.72Å; L167-T1316 WeakPolarHBondContact CD1-O 3.42Å; K1314-T1316 PolarHBondContact O-N 2.75Å; T1316-L1318 HydrophobicContact CG2-CB 4.32Å; T1316-L1318 HydrophobicContact CG2-CD1 3.76Å; T1316-L1318 HydrophobicContact CG2-CG 4.46Å; T1316-L1318 PolarHBondContact O-N 3.47Å
1317R48.6Very low36.4Very low207 Ų20798.9 Ų98.978%0.78151%0.513SS*.THydrogen-bonded Turntrans-82.768.2-179.8-66.1-171.9-177.1-172.10.3110.9G1315G1315-R1317 PolarHBondContact O-N 3.32Å; G1315-R1317 VanDerWaalsContact O-N 3.08Å
1318L47Very low37.2Very low5 Ų596.1 Ų96.13%0.02650%0.499CS..THydrogen-bonded Turntrans-95.5-21.5171.6-113.5144.7000112.1L151 F164 L167 L171 T1316 E1320L151-L1318 HydrophobicContact CD2-CD2 4.07Å; F164-L1318 HydrophobicContact CD2-CD1 3.43Å; F164-L1318 VanDerWaalsContact CD2-CD1 3.43Å; F164-L1318 HydrophobicContact CE2-CD1 3.57Å; F164-L1318 HydrophobicContact CG-CD1 4.42Å; L167-L1318 HydrophobicContact CB-CB 3.92Å; L167-L1318 HydrophobicContact CB-CD1 3.99Å; L167-L1318 HydrophobicContact CB-CG 4.5Å; L167-L1318 HydrophobicContact CD1-CB 3.82Å; L167-L1318 HydrophobicContact CG-CB 4.48Å; L171-L1318 HydrophobicContact CD2-CD2 3.62Å; T1316-L1318 HydrophobicContact CG2-CB 4.32Å; T1316-L1318 HydrophobicContact CG2-CD1 3.76Å; T1316-L1318 HydrophobicContact CG2-CG 4.46Å; T1316-L1318 PolarHBondContact O-N 3.47Å; L1318-E1320 PolarHBondContact O-N 3.08Å
1319L39.1Very low38Very low123 Ų12395.2 Ų95.264%0.64450%0.499SS*.  trans-94.224.5-170-63.7175.7000115.7L167 F1321L167-L1319 HydrophobicContact CD2-CD1 3.52Å; L167-L1319 HydrophobicContact CD2-CD2 4.11Å; L167-L1319 HydrophobicContact CD2-CG 3.7Å; L1319-F1321 PolarHBondContact O-N 3.19Å
1320E37.6Very low39.1Very low153 Ų15392.6 Ų92.672%0.71548%0.476SS*.  trans-80.614.2162.2-78.8-175.2-175.400112.3L1318L1318-E1320 PolarHBondContact O-N 3.08Å
1321F33.5Very low39.6Very low122 Ų12290.5 Ų90.554%0.53547%0.47SS..  trans-110.20176.7-77.4-76.4000112.9T121 L1319T121-F1321 HydrophobicContact CG2-CD1 4.2Å; T121-F1321 HydrophobicContact CG2-CE1 4.08Å; L1319-F1321 PolarHBondContact O-N 3.19Å

Retrieved 1,321 of 1,321 residues in 221.6 ms (Link to these results)

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