A0A077ZMF0_TRITR Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZMF0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 452 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M67.3Low74.9Confident114 Ų11495.9 Ų95.956%0.56246%0.462SS*.  0-45.30-62.4-149.9-63.100112I15 H18 L19 L69M1-I15 HydrophobicContact CE-CB 4.14Å; M1-I15 HydrophobicContact CE-CG1 4.18Å; M1-I15 HydrophobicContact CE-CG2 3.67Å; M1-H18 HydrophobicContact CE-CB 3.32Å; M1-H18 HydrophobicContact SD-CB 3.76Å; M1-L19 HydrophobicContact SD-CD2 4.49Å; M1-L69 HydrophobicContact CE-CD1 3.67Å; M1-L69 HydrophobicContact CG-CD2 4.18Å; M1-L69 HydrophobicContact SD-CD1 3.69Å; M1-L69 HydrophobicContact SD-CD2 4.36Å
2C79.3Confident75.6Confident27 Ų2791.3 Ų91.318%0.18244%0.439CS..  trans-148.7167.416866.10000110.9Q4 H14 H18 Y165C2-Q4 VanDerWaalsContact C-N 3.34Å; C2-Q4 HydrophobicContact CB-CG 4.34Å; C2-H14 PolarHBondContact SG-CE1 2.9Å; C2-H14 PolarHBondContact SG-NE2 3.09Å; C2-H18 PolarHBondContact SG-NE2 3.18Å; C2-H18 VanDerWaalsContact SG-NE2 3.4Å; C2-Y165 WeakPolarHBondContact CA-OH 3.43Å; C2-Y165 HydrophobicContact CB-CE2 4.05Å; C2-Y165 WeakPolarHBondContact CB-OH 3.48Å
3D74.7Confident76.4Confident122 Ų12287.8 Ų87.865%0.65243%0.427SS*.  trans-95.727.6176.3-62.2-46.1000113.4K76D3-K76 IonicContact OD1-NZ 3.92Å; D3-K76 PolarHBondContact OD1-NZ 3.28Å; D3-K76 VanDerWaalsContact OD1-NZ 3.12Å
4Q73.6Confident77Confident52 Ų5284.6 Ų84.624%0.24341%0.41CS..  trans-77.7133.8175.3-64.4-59.4-48.600111.7C2 I6 H183C2-Q4 VanDerWaalsContact C-N 3.34Å; C2-Q4 HydrophobicContact CB-CG 4.34Å; Q4-I6 HydrophobicContact CB-CD1 4.15Å; Q4-I6 HydrophobicContact CB-CG1 4.18Å; Q4-I6 WeakPolarHBondContact O-CD1 3.34Å; Q4-I6 PolarHBondContact O-N 3.36Å; Q4-H183 PolarHBondContact OE1-NE2 2.87Å
5W75Confident77.7Confident178 Ų17879.5 Ų79.567%0.67439%0.386SS*.  trans-78.6116.2165.5-71.389.4000109.4T77 V80W5-T77 HydrophobicContact CZ3-CG2 3.96Å; W5-V80 HydrophobicContact CH2-CG1 4.3Å
6I72.6Confident78.4Confident63 Ų6376.8 Ų76.832%0.32337%0.372SS..  trans-116.7140-179.3-53.4122.5000108.6Q4 S8 N10 H14Q4-I6 HydrophobicContact CB-CD1 4.15Å; Q4-I6 HydrophobicContact CB-CG1 4.18Å; Q4-I6 WeakPolarHBondContact O-CD1 3.34Å; Q4-I6 PolarHBondContact O-N 3.36Å; I6-S8 PolarHBondContact O-N 3Å; I6-N10 HydrophobicContact CG2-CB 3.94Å; I6-H14 HydrophobicContact CD1-CB 4.1Å; I6-H14 WeakPolarHBondContact CD1-CD2 3.45Å; I6-H14 WeakPolarHBondContact CD1-NE2 3.11Å; I6-H14 HydrophobicContact CG1-CB 4.14Å; I6-H14 HydrophobicContact CG2-CB 4Å
7C73.7Confident78.9Confident71 Ų7173.1 Ų73.148%0.4836%0.356SS..  trans-55.3134.3169.9176.20000109.7R9 N10 R11C7-R9 PolarHBondContact O-N 3.39Å; C7-N10 PolarHBondContact O-N 3.47Å; C7-R11 PolarHBondContact O-N 3.43Å
8S72Confident79.2Confident66 Ų6672.6 Ų72.646%0.46235%0.353SS..G310 helixtrans-49.5-35.4-179.361.10000112.7I6 N10 R11I6-S8 PolarHBondContact O-N 3Å; S8-N10 VanDerWaalsContact C-N 3.31Å; S8-N10 PolarHBondContact O-N 2.97Å; S8-R11 WeakPolarHBondContact O-CD 3.28Å; S8-R11 VanDerWaalsContact O-CG 3.3Å; S8-R11 WeakPolarHBondContact O-CG 2.89Å; S8-R11 PolarHBondContact O-NH1 3.5Å
9R75.1Confident79.7Confident215 Ų21570.7 Ų70.781%0.81134%0.344SS*.G310 helixtrans-67.8-25.7178.3-55.9-176.4-162-176.54.4114.2C7C7-R9 PolarHBondContact O-N 3.39Å
10N79.7Confident80Confident91 Ų9172.2 Ų72.249%0.48735%0.351SS..G310 helixtrans-105.91.1-176.5-68.7-6.8000113.1I6 C7 S8 F12 T13 H14I6-N10 HydrophobicContact CG2-CB 3.94Å; C7-N10 PolarHBondContact O-N 3.47Å; S8-N10 VanDerWaalsContact C-N 3.31Å; S8-N10 PolarHBondContact O-N 2.97Å; N10-F12 VanDerWaalsContact C-N 3.31Å; N10-F12 PolarHBondContact O-N 2.81Å; N10-T13 PolarHBondContact O-N 3.28Å; N10-T13 PolarHBondContact O-OG1 2.98Å; N10-H14 WeakPolarHBondContact O-CB 3.34Å; N10-H14 PolarHBondContact O-N 3.35Å
11R80.5Confident80.5Confident56 Ų5669.2 Ų69.221%0.21134%0.336CS..Hα-helixtrans-58.1-40.4-176.375.2-172.5-178-917.2112.9C7 S8 H14 I15 A70C7-R11 PolarHBondContact O-N 3.43Å; S8-R11 WeakPolarHBondContact O-CD 3.28Å; S8-R11 VanDerWaalsContact O-CG 3.3Å; S8-R11 WeakPolarHBondContact O-CG 2.89Å; S8-R11 PolarHBondContact O-NH1 3.5Å; R11-H14 WeakPolarHBondContact O-CB 3.41Å; R11-H14 PolarHBondContact O-N 3.48Å; R11-I15 WeakPolarHBondContact O-CB 3.45Å; R11-I15 WeakPolarHBondContact O-CD1 3.33Å; R11-I15 VanDerWaalsContact O-CG1 3.26Å; R11-I15 WeakPolarHBondContact O-CG1 3.27Å; R11-I15 PolarHBondContact O-N 3.39Å; R11-A70 HydrophobicContact CG-CB 4.15Å
12F84.1Confident81.6Confident40 Ų4066.9 Ų66.918%0.17532%0.321CS..Hα-helixtrans-60.8-56.8176.2-69.2-78.3000111N10 H14 I15 E16 V66 W67 A70N10-F12 VanDerWaalsContact C-N 3.31Å; N10-F12 PolarHBondContact O-N 2.81Å; F12-H14 PolarHBondContact O-N 3.04Å; F12-I15 PolarHBondContact O-N 3.45Å; F12-E16 VanDerWaalsContact O-CG 3.29Å; F12-E16 WeakPolarHBondContact O-CG 3.35Å; F12-E16 PolarHBondContact O-N 3.44Å; F12-V66 HydrophobicContact CD1-CG1 3.89Å; F12-W67 HydrophobicContact CD1-CD2 4.44Å; F12-W67 AromaticContact CE1-CD2 3.46Å; F12-W67 HydrophobicContact CE1-CD2 3.46Å; F12-W67 VanDerWaalsContact CE1-CD2 3.46Å; F12-W67 AromaticContact CE1-CE2 3.78Å; F12-W67 AromaticContact CE1-CE3 3.37Å; F12-W67 HydrophobicContact CE1-CE3 3.37Å; F12-W67 HydrophobicContact CE1-CG 4.1Å; F12-W67 AromaticContact CE1-CH2 3.93Å; F12-W67 HydrophobicContact CE1-CH2 3.93Å; F12-W67 AromaticContact CE1-CZ2 4Å; F12-W67 HydrophobicContact CE1-CZ2 4Å; F12-W67 AromaticContact CE1-CZ3 3.64Å; F12-W67 HydrophobicContact CE1-CZ3 3.64Å; F12-W67 HydrophobicContact CE2-CH2 4.24Å; F12-W67 HydrophobicContact CE2-CZ3 4.18Å; F12-W67 AromaticContact CZ-CD2 3.96Å; F12-W67 HydrophobicContact CZ-CD2 3.96Å; F12-W67 AromaticContact CZ-CE3 3.4Å; F12-W67 HydrophobicContact CZ-CE3 3.4Å; F12-W67 VanDerWaalsContact CZ-CE3 3.4Å; F12-W67 AromaticContact CZ-CH2 3.56Å; F12-W67 HydrophobicContact CZ-CH2 3.56Å; F12-W67 HydrophobicContact CZ-CZ2 4.09Å; F12-W67 AromaticContact CZ-CZ3 3.2Å; F12-W67 HydrophobicContact CZ-CZ3 3.2Å; F12-A70 HydrophobicContact CD1-CB 3.96Å; F12-A70 HydrophobicContact CE1-CB 3.5Å; F12-A70 VanDerWaalsContact CE1-CB 3.5Å; F12-A70 HydrophobicContact CZ-CB 3.82Å
13T85.5Confident82.1Confident47 Ų4765.9 Ų65.929%0.28831%0.314SS..Hα-helixtrans-57.4-30.317955.60000113.6N10 E16 S17N10-T13 PolarHBondContact O-N 3.28Å; N10-T13 PolarHBondContact O-OG1 2.98Å; T13-E16 WeakPolarHBondContact CA-OE2 3.33Å; T13-S17 PolarHBondContact O-N 3.03Å
14H85.3Confident82.8Confident42 Ų4262.8 Ų62.819%0.19429%0.294CS..Hα-helixtrans-71.2-46.5174.2174.986.4000111.5C2 I6 N10 R11 F12 S17 H18C2-H14 PolarHBondContact SG-CE1 2.9Å; C2-H14 PolarHBondContact SG-NE2 3.09Å; I6-H14 HydrophobicContact CD1-CB 4.1Å; I6-H14 WeakPolarHBondContact CD1-CD2 3.45Å; I6-H14 WeakPolarHBondContact CD1-NE2 3.11Å; I6-H14 HydrophobicContact CG1-CB 4.14Å; I6-H14 HydrophobicContact CG2-CB 4Å; N10-H14 WeakPolarHBondContact O-CB 3.34Å; N10-H14 PolarHBondContact O-N 3.35Å; R11-H14 WeakPolarHBondContact O-CB 3.41Å; R11-H14 PolarHBondContact O-N 3.48Å; F12-H14 PolarHBondContact O-N 3.04Å; H14-S17 WeakPolarHBondContact O-CB 3.09Å; H14-S17 PolarHBondContact O-N 2.79Å; H14-S17 PolarHBondContact O-OG 3.28Å; H14-H18 AromaticContact CD2-CD2 3.84Å; H14-H18 AromaticContact CD2-NE2 3.86Å; H14-H18 AromaticContact CE1-NE2 3.55Å; H14-H18 AromaticContact NE2-CD2 3.44Å; H14-H18 PolarHBondContact NE2-CD2 3.33Å; H14-H18 AromaticContact NE2-NE2 2.99Å; H14-H18 PolarHBondContact NE2-NE2 3.41Å; H14-H18 PolarHBondContact O-CD2 3.49Å; H14-H18 PolarHBondContact O-N 3.14Å
15I87.6Confident83.7Confident8 Ų864 Ų644%0.04130%0.298CS..Hα-helixtrans-67.3-41.7179.7-70.8165.9000111.5M1 R11 F12 S17 H18 L19 V66 L69 A70M1-I15 HydrophobicContact CE-CB 4.14Å; M1-I15 HydrophobicContact CE-CG1 4.18Å; M1-I15 HydrophobicContact CE-CG2 3.67Å; R11-I15 WeakPolarHBondContact O-CB 3.45Å; R11-I15 WeakPolarHBondContact O-CD1 3.33Å; R11-I15 VanDerWaalsContact O-CG1 3.26Å; R11-I15 WeakPolarHBondContact O-CG1 3.27Å; R11-I15 PolarHBondContact O-N 3.39Å; F12-I15 PolarHBondContact O-N 3.45Å; I15-S17 PolarHBondContact O-N 3.48Å; I15-H18 WeakPolarHBondContact O-CB 3.27Å; I15-H18 PolarHBondContact O-N 3.36Å; I15-L19 HydrophobicContact CG2-CD1 4.26Å; I15-L19 PolarHBondContact O-N 2.67Å; I15-V66 HydrophobicContact CB-CG1 4.27Å; I15-V66 HydrophobicContact CG2-CB 4.13Å; I15-V66 HydrophobicContact CG2-CG1 3.83Å; I15-V66 HydrophobicContact CG2-CG2 4.26Å; I15-L69 HydrophobicContact CD1-CB 4.14Å; I15-L69 HydrophobicContact CG2-CB 3.76Å; I15-L69 HydrophobicContact CG2-CD1 4.01Å; I15-A70 HydrophobicContact CD1-CB 3.62Å; I15-A70 VanDerWaalsContact CD1-N 3.31Å
16E88.9Confident84.4Confident36 Ų3655.9 Ų55.917%0.16827%0.268CS..Hα-helixtrans-53.2-35.6171.6-69.7173.9170.800111.9F12 T13 L19 Q20 Y21 V66F12-E16 VanDerWaalsContact O-CG 3.29Å; F12-E16 WeakPolarHBondContact O-CG 3.35Å; F12-E16 PolarHBondContact O-N 3.44Å; T13-E16 WeakPolarHBondContact CA-OE2 3.33Å; E16-L19 CarbonylContact O-C 3.6Å; E16-L19 PolarHBondContact O-N 2.85Å; E16-Q20 PolarHBondContact O-N 3.28Å; E16-Y21 HydrophobicContact CG-CD1 4.04Å; E16-Y21 PolarHBondContact O-N 3.03Å; E16-V66 HydrophobicContact CG-CG1 3.96Å; E16-V66 HydrophobicContact CG-CG2 4.03Å
17S86.2Confident85.3Confident15 Ų1555.2 Ų55.211%0.10527%0.269CS..Hα-helixtrans-68.3-34.9179.181.60000113.3T13 H14 I15 L19 Q20T13-S17 PolarHBondContact O-N 3.03Å; H14-S17 WeakPolarHBondContact O-CB 3.09Å; H14-S17 PolarHBondContact O-N 2.79Å; H14-S17 PolarHBondContact O-OG 3.28Å; I15-S17 PolarHBondContact O-N 3.48Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-Q20 PolarHBondContact O-N 3.21Å
18H85.1Confident86Confident64 Ų6455.1 Ų55.130%0.29626%0.263SS..Hα-helixtrans-68.6-36173.4-76.7-74.4000111.8M1 C2 H14 I15 Q20M1-H18 HydrophobicContact CE-CB 3.32Å; M1-H18 HydrophobicContact SD-CB 3.76Å; C2-H18 PolarHBondContact SG-NE2 3.18Å; C2-H18 VanDerWaalsContact SG-NE2 3.4Å; H14-H18 AromaticContact CD2-CD2 3.84Å; H14-H18 AromaticContact CD2-NE2 3.86Å; H14-H18 AromaticContact CE1-NE2 3.55Å; H14-H18 AromaticContact NE2-CD2 3.44Å; H14-H18 PolarHBondContact NE2-CD2 3.33Å; H14-H18 AromaticContact NE2-NE2 2.99Å; H14-H18 PolarHBondContact NE2-NE2 3.41Å; H14-H18 PolarHBondContact O-CD2 3.49Å; H14-H18 PolarHBondContact O-N 3.14Å; I15-H18 WeakPolarHBondContact O-CB 3.27Å; I15-H18 PolarHBondContact O-N 3.36Å; H18-Q20 PolarHBondContact O-N 3.31Å
19L87.8Confident86.9Confident36 Ų3654.2 Ų54.219%0.18826%0.257CS..THydrogen-bonded Turntrans-84.41.2179.8-63.8175.4000113.1M1 I15 E16 S17 Y21 I62 R65 V66 L69M1-L19 HydrophobicContact SD-CD2 4.49Å; I15-L19 HydrophobicContact CG2-CD1 4.26Å; I15-L19 PolarHBondContact O-N 2.67Å; E16-L19 CarbonylContact O-C 3.6Å; E16-L19 PolarHBondContact O-N 2.85Å; S17-L19 VanDerWaalsContact C-N 3.34Å; L19-Y21 PolarHBondContact O-N 2.81Å; L19-I62 HydrophobicContact CB-CG2 4.25Å; L19-I62 HydrophobicContact CD1-CG2 4.24Å; L19-R65 HydrophobicContact CD1-CB 4.42Å; L19-R65 HydrophobicContact CD1-CG 4.21Å; L19-V66 HydrophobicContact CD1-CB 4.39Å; L19-V66 HydrophobicContact CD1-CG2 3.48Å; L19-V66 VanDerWaalsContact CD1-CG2 3.48Å; L19-L69 HydrophobicContact CD1-CD1 4Å; L19-L69 HydrophobicContact CD2-CD1 4.43Å; L19-L69 HydrophobicContact CG-CD1 4.5Å
20Q86.3Confident87.6Confident101 Ų10151.1 Ų51.147%0.47226%0.256SS..THydrogen-bonded Turntrans50.629.4-173-55.4-175.31000113E16 S17 H18 R22E16-Q20 PolarHBondContact O-N 3.28Å; S17-Q20 PolarHBondContact O-N 3.21Å; H18-Q20 PolarHBondContact O-N 3.31Å; Q20-R22 PolarHBondContact O-N 3.21Å
21Y89.9Confident88.1Confident9 Ų948.4 Ų48.44%0.03524%0.24CC..  trans-71.4121-176-173.2-128.9000109.5E16 L19 P23 R34 P58 S59 I62 E63E16-Y21 HydrophobicContact CG-CD1 4.04Å; E16-Y21 PolarHBondContact O-N 3.03Å; L19-Y21 PolarHBondContact O-N 2.81Å; Y21-P23 HydrophobicContact CD1-CG 4.28Å; Y21-P23 HydrophobicContact CE1-CB 4.13Å; Y21-P23 HydrophobicContact CE1-CG 3.78Å; Y21-P23 HydrophobicContact CE2-CB 4.2Å; Y21-R34 WeakPolarHBondContact O-CG 3.02Å; Y21-P58 WeakPolarHBondContact OH-CA 3.41Å; Y21-P58 WeakPolarHBondContact OH-CB 3.39Å; Y21-S59 PolarHBondContact OH-N 2.81Å; Y21-I62 HydrophobicContact CD1-CG2 4.4Å; Y21-I62 HydrophobicContact CD2-CB 3.88Å; Y21-I62 HydrophobicContact CD2-CD1 4.08Å; Y21-I62 HydrophobicContact CD2-CG2 3.4Å; Y21-I62 HydrophobicContact CE2-CB 4.07Å; Y21-I62 HydrophobicContact CE2-CD1 4.49Å; Y21-I62 HydrophobicContact CE2-CG2 4.06Å; Y21-I62 HydrophobicContact CG-CG2 3.61Å; Y21-E63 HydrophobicContact CE1-CG 3.61Å; Y21-E63 WeakPolarHBondContact OH-CG 3.28Å; Y21-E63 PolarHBondContact OH-OE1 3.41Å
22R90.5Very high88.6Confident66 Ų6647.3 Ų47.325%0.24924%0.238CC..  trans-138.776.8-176.7-68.6-178.6-176.8149.80.1109.6Q20 Y24 D32 N33 R34Q20-R22 PolarHBondContact O-N 3.21Å; R22-Y24 VanDerWaalsContact C-N 3.26Å; R22-Y24 PolarHBondContact O-N 3.25Å; R22-D32 HydrophobicContact CB-CB 4.18Å; R22-D32 WeakPolarHBondContact CD-OD1 3.42Å; R22-D32 IonicContact NE-OD1 3.2Å; R22-D32 IonicContact NH1-OD1 2.94Å; R22-N33 CarbonylContact C-O 3.49Å; R22-N33 WeakPolarHBondContact CA-O 3.4Å; R22-R34 HydrophobicContact CG-CG 4.34Å
23P89.2Confident88.8Confident6 Ų646 Ų464%0.03923%0.232CC..  trans-73.1-16.9-171.928.2-35.2000113.6Y21 F56 L57Y21-P23 HydrophobicContact CD1-CG 4.28Å; Y21-P23 HydrophobicContact CE1-CB 4.13Å; Y21-P23 HydrophobicContact CE1-CG 3.78Å; Y21-P23 HydrophobicContact CE2-CB 4.2Å; P23-F56 HydrophobicContact CB-CD2 3.93Å; P23-F56 HydrophobicContact CB-CE2 3.58Å; P23-F56 HydrophobicContact CB-CZ 4.45Å; P23-F56 HydrophobicContact CG-CD2 4.37Å; P23-F56 HydrophobicContact CG-CE2 3.82Å; P23-L57 PolarHBondContact O-N 3.41Å
24Y91.3Very high88.9Confident57 Ų5747.5 Ų47.522%0.22423%0.233CC..EExtended strand (participates in β ladder)trans-92.4124.5178.9-60.6-89.3000109.9R22 D32 N33 R34 E36 L55 F56R22-Y24 VanDerWaalsContact C-N 3.26Å; R22-Y24 PolarHBondContact O-N 3.25Å; Y24-D32 CarbonylContact O-C 3.32Å; Y24-D32 WeakPolarHBondContact O-CA 3.46Å; Y24-D32 WeakPolarHBondContact O-CB 2.8Å; Y24-N33 WeakPolarHBondContact CB-O 3.46Å; Y24-N33 PolarHBondContact N-O 2.99Å; Y24-N33 PolarHBondContact O-N 3.31Å; Y24-R34 VanDerWaalsContact CD2-O 3.31Å; Y24-R34 WeakPolarHBondContact CD2-O 3.38Å; Y24-R34 VanDerWaalsContact CE2-O 3.29Å; Y24-R34 WeakPolarHBondContact CE2-O 3.18Å; Y24-E36 HydrophobicContact CD1-CB 3.61Å; Y24-E36 HydrophobicContact CD1-CG 3.8Å; Y24-E36 HydrophobicContact CE1-CB 3.49Å; Y24-E36 VanDerWaalsContact CE1-CB 3.49Å; Y24-E36 HydrophobicContact CE1-CG 3.85Å; Y24-E36 HydrophobicContact CG-CB 4.3Å; Y24-L55 CarbonylContact C-O 3.57Å; Y24-L55 VanDerWaalsContact CA-O 3.28Å; Y24-L55 WeakPolarHBondContact CA-O 3.13Å; Y24-F56 HydrophobicContact CD1-CB 4.34Å; Y24-F56 AromaticContact CD1-CD2 3.85Å; Y24-F56 HydrophobicContact CD1-CD2 3.85Å; Y24-F56 HydrophobicContact CD2-CD2 4.32Å; Y24-F56 HydrophobicContact CE1-CB 4.26Å; Y24-F56 AromaticContact CE1-CD2 3.48Å; Y24-F56 HydrophobicContact CE1-CD2 3.48Å; Y24-F56 VanDerWaalsContact CE1-CD2 3.48Å; Y24-F56 HydrophobicContact CE1-CE2 4.2Å; Y24-F56 HydrophobicContact CE1-CG 4.18Å; Y24-F56 AromaticContact CE2-CD2 3.98Å; Y24-F56 HydrophobicContact CE2-CD2 3.98Å; Y24-F56 HydrophobicContact CE2-CE2 4.01Å; Y24-F56 HydrophobicContact CG-CD2 4.27Å; Y24-F56 AromaticContact CZ-CD2 3.55Å; Y24-F56 AromaticContact CZ-CE2 3.78Å
25K91.1Very high88.9Confident77 Ų7750 Ų5034%0.33524%0.243SC..EExtended strand (participates in β ladder)trans-120.3147.4176.9-58-154.3175.5-102.90110.9D32 L55 L57K25-D32 HydrophobicContact CD-CB 4.43Å; K25-D32 HydrophobicContact CG-CB 3.89Å; K25-D32 IonicContact NZ-OD2 2.74Å; K25-D32 PolarHBondContact NZ-OD2 3.11Å; K25-L55 HydrophobicContact CB-CB 4.45Å; K25-L55 PolarHBondContact N-O 3.49Å; K25-L55 PolarHBondContact O-N 3.44Å; K25-L57 HydrophobicContact CD-CD1 3.97Å; K25-L57 HydrophobicContact CG-CD1 4.26Å
26C90.6Very high89Confident7 Ų753.9 Ų53.95%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-71.7134.3167.8-175.50000109L28 Y31 I39 H42 L43C26-L28 PolarHBondContact O-N 3.48Å; C26-L28 PolarHBondContact SG-N 2.89Å; C26-L28 VanDerWaalsContact SG-N 3.44Å; C26-Y31 WeakPolarHBondContact CB-O 3.32Å; C26-Y31 PolarHBondContact N-O 2.92Å; C26-I39 HydrophobicContact CB-CG2 4.16Å; C26-H42 VanDerWaalsContact SG-CD2 3.54Å; C26-H42 PolarHBondContact SG-NE2 2.71Å; C26-L43 WeakPolarHBondContact SG-CD2 3.35Å
27S91.6Very high89Confident49 Ų4956.4 Ų56.434%0.34328%0.275SS..SBendtrans-70.5-17.2174.666.80000113.7G52 E53S27-G52 WeakPolarHBondContact OG-CA 3.22Å; S27-E53 PolarHBondContact N-O 2.64Å; S27-E53 PolarHBondContact OG-N 3.33Å; S27-E53 PolarHBondContact OG-O 3.18Å
28L88.6Confident89Confident69 Ų6956.5 Ų56.536%0.36127%0.274SS..SBendtrans-102.4-17-173.1-59.1177000113.8C26 L43 H47 E50 G52C26-L28 PolarHBondContact O-N 3.48Å; C26-L28 PolarHBondContact SG-N 2.89Å; C26-L28 VanDerWaalsContact SG-N 3.44Å; L28-L43 HydrophobicContact CD1-CD2 4.11Å; L28-H47 WeakPolarHBondContact CB-CE1 3.28Å; L28-H47 HydrophobicContact CD1-CB 3.71Å; L28-H47 VanDerWaalsContact CD1-CG 3.46Å; L28-H47 WeakPolarHBondContact CD1-ND1 3.45Å; L28-E50 HydrophobicContact CD1-CB 3.57Å; L28-G52 VanDerWaalsContact CD1-CA 3.43Å
29C90.2Very high89.2Confident47 Ų4753.5 Ų53.532%0.31826%0.259SS..SBendtrans-156.9172.6177.872.10000112.1Y31 H42C29-Y31 PolarHBondContact O-N 3Å; C29-Y31 VanDerWaalsContact SG-CB 3.5Å; C29-H42 PolarHBondContact SG-CE1 3.42Å; C29-H42 PolarHBondContact SG-NE2 3.2Å
30D90.7Very high89.2Confident150 Ų15055.6 Ų55.680%0.80227%0.268SS*.SBendtrans-71.718.3-179.6-55.3-38.7000114.5D32D30-D32 PolarHBondContact O-N 3.36Å
31Y89.8Confident89.4Confident35 Ų3554.1 Ų54.114%0.13726%0.263CS..  trans-76.6121.9176.5-172.6-101.7000110.5C26 C29 N33 I39 H42 V136C26-Y31 WeakPolarHBondContact CB-O 3.32Å; C26-Y31 PolarHBondContact N-O 2.92Å; C29-Y31 PolarHBondContact O-N 3Å; C29-Y31 VanDerWaalsContact SG-CB 3.5Å; Y31-N33 PolarHBondContact OH-ND2 3.5Å; Y31-N33 VanDerWaalsContact OH-ND2 3.15Å; Y31-I39 HydrophobicContact CD1-CD1 3.64Å; Y31-I39 HydrophobicContact CE1-CD1 3.88Å; Y31-H42 HydrophobicContact CD1-CB 3.62Å; Y31-H42 AromaticContact CD1-CD2 3.62Å; Y31-H42 AromaticContact CD1-CG 3.3Å; Y31-H42 AromaticContact CD1-ND1 3.6Å; Y31-H42 HydrophobicContact CE1-CB 3.54Å; Y31-H42 AromaticContact CE1-CG 3.75Å; Y31-H42 HydrophobicContact CG-CB 4.48Å; Y31-H42 AromaticContact CG-CE1 3.74Å; Y31-H42 AromaticContact CG-CG 3.79Å; Y31-H42 AromaticContact CG-ND1 3.58Å; Y31-V136 WeakPolarHBondContact OH-CG1 3.44Å
32D90.8Very high89.3Confident32 Ų3254.3 Ų54.317%0.17126%0.264CS..EExtended strand (participates in β ladder)trans-126.5159.4176.259.539.1000113.3R22 Y24 K25 D30R22-D32 HydrophobicContact CB-CB 4.18Å; R22-D32 WeakPolarHBondContact CD-OD1 3.42Å; R22-D32 IonicContact NE-OD1 3.2Å; R22-D32 IonicContact NH1-OD1 2.94Å; Y24-D32 CarbonylContact O-C 3.32Å; Y24-D32 WeakPolarHBondContact O-CA 3.46Å; Y24-D32 WeakPolarHBondContact O-CB 2.8Å; K25-D32 HydrophobicContact CD-CB 4.43Å; K25-D32 HydrophobicContact CG-CB 3.89Å; K25-D32 IonicContact NZ-OD2 2.74Å; K25-D32 PolarHBondContact NZ-OD2 3.11Å; D30-D32 PolarHBondContact O-N 3.36Å
33N88.2Confident89.2Confident12 Ų1251.9 Ų51.96%0.06426%0.256CS..EExtended strand (participates in β ladder)trans-156.9166.7-179.1-141.2-62000113.6R22 Y24 Y31 F38 I39 V136R22-N33 CarbonylContact C-O 3.49Å; R22-N33 WeakPolarHBondContact CA-O 3.4Å; Y24-N33 WeakPolarHBondContact CB-O 3.46Å; Y24-N33 PolarHBondContact N-O 2.99Å; Y24-N33 PolarHBondContact O-N 3.31Å; Y31-N33 PolarHBondContact OH-ND2 3.5Å; Y31-N33 VanDerWaalsContact OH-ND2 3.15Å; N33-F38 HydrophobicContact CB-CB 3.87Å; N33-F38 HydrophobicContact CB-CD2 4.47Å; N33-F38 WeakPolarHBondContact ND2-CB 3.1Å; N33-F38 VanDerWaalsContact OD1-CD2 3.23Å; N33-F38 WeakPolarHBondContact OD1-CD2 3.31Å; N33-I39 HydrophobicContact CB-CD1 3.95Å; N33-V136 WeakPolarHBondContact ND2-CG1 3.41Å
34R86.5Confident89.1Confident79 Ų7960.9 Ų60.930%0.29829%0.289SS..SBendtrans-74.3-24.5176.2-83.5-178.8-60.9-104.51.9114.2Y21 R22 Y24Y21-R34 WeakPolarHBondContact O-CG 3.02Å; R22-R34 HydrophobicContact CG-CG 4.34Å; Y24-R34 VanDerWaalsContact CD2-O 3.31Å; Y24-R34 WeakPolarHBondContact CD2-O 3.38Å; Y24-R34 VanDerWaalsContact CE2-O 3.29Å; Y24-R34 WeakPolarHBondContact CE2-O 3.18Å
35K86.4Confident89Confident95 Ų9564.2 Ų64.241%0.41331%0.305SS..SBendtrans-134140.1-177.1-57.2-173.9175.1-1750111.1I37 F38K35-I37 VanDerWaalsContact C-N 3.25Å; K35-I37 HydrophobicContact CB-CG1 3.91Å; K35-I37 HydrophobicContact CD-CD1 4.46Å; K35-I37 PolarHBondContact O-N 3.36Å; K35-F38 HydrophobicContact CB-CD2 3.71Å; K35-F38 HydrophobicContact CB-CE2 3.87Å; K35-F38 HydrophobicContact CD-CE2 4.06Å; K35-F38 HydrophobicContact CG-CD2 4.4Å; K35-F38 HydrophobicContact CG-CE2 4.13Å; K35-F38 WeakPolarHBondContact O-CB 3.49Å; K35-F38 PolarHBondContact O-N 3.17Å; K35-F38 VanDerWaalsContact O-N 3.09Å
36E88.6Confident88.9Confident89 Ų8967 Ų6742%0.41631%0.314SS..Hα-helixtrans-52.4-41178.1-155.9-159.5148.200113.2Y24 F38 I39 Q40 S54Y24-E36 HydrophobicContact CD1-CB 3.61Å; Y24-E36 HydrophobicContact CD1-CG 3.8Å; Y24-E36 HydrophobicContact CE1-CB 3.49Å; Y24-E36 VanDerWaalsContact CE1-CB 3.49Å; Y24-E36 HydrophobicContact CE1-CG 3.85Å; Y24-E36 HydrophobicContact CG-CB 4.3Å; E36-F38 PolarHBondContact O-N 3.41Å; E36-I39 WeakPolarHBondContact O-CA 3.32Å; E36-I39 WeakPolarHBondContact O-CB 3.38Å; E36-I39 PolarHBondContact O-N 3.24Å; E36-Q40 WeakPolarHBondContact O-CG 3.42Å; E36-Q40 PolarHBondContact O-N 2.83Å; E36-Q40 PolarHBondContact OE1-NE2 2.93Å; E36-S54 VanDerWaalsContact CG-OG 3.24Å; E36-S54 WeakPolarHBondContact CG-OG 3.41Å
37I89.2Confident88.7Confident89 Ų8968 Ų6846%0.45632%0.318SS..Hα-helixtrans-53.5-28.6-179.160.6169.4000113K35 I41K35-I37 VanDerWaalsContact C-N 3.25Å; K35-I37 HydrophobicContact CB-CG1 3.91Å; K35-I37 HydrophobicContact CD-CD1 4.46Å; K35-I37 PolarHBondContact O-N 3.36Å; I37-I41 WeakPolarHBondContact O-CD1 3.17Å; I37-I41 VanDerWaalsContact O-CG1 3.22Å; I37-I41 WeakPolarHBondContact O-CG1 3.39Å; I37-I41 PolarHBondContact O-N 3.27Å
38F87.2Confident87.8Confident18 Ų1874.2 Ų74.28%0.07934%0.339CS..Hα-helixtrans-81-33.5-179.6-61-53.6000112.3N33 K35 E36 I41 H42 P134 V136N33-F38 HydrophobicContact CB-CB 3.87Å; N33-F38 HydrophobicContact CB-CD2 4.47Å; N33-F38 WeakPolarHBondContact ND2-CB 3.1Å; N33-F38 VanDerWaalsContact OD1-CD2 3.23Å; N33-F38 WeakPolarHBondContact OD1-CD2 3.31Å; K35-F38 HydrophobicContact CB-CD2 3.71Å; K35-F38 HydrophobicContact CB-CE2 3.87Å; K35-F38 HydrophobicContact CD-CE2 4.06Å; K35-F38 HydrophobicContact CG-CD2 4.4Å; K35-F38 HydrophobicContact CG-CE2 4.13Å; K35-F38 WeakPolarHBondContact O-CB 3.49Å; K35-F38 PolarHBondContact O-N 3.17Å; K35-F38 VanDerWaalsContact O-N 3.09Å; E36-F38 PolarHBondContact O-N 3.41Å; F38-I41 HydrophobicContact CD1-CD1 4.46Å; F38-I41 PolarHBondContact O-N 2.9Å; F38-H42 VanDerWaalsContact O-CB 3.23Å; F38-H42 WeakPolarHBondContact O-CB 3.27Å; F38-H42 PolarHBondContact O-N 2.9Å; F38-P134 WeakPolarHBondContact CE1-O 3.42Å; F38-P134 HydrophobicContact CZ-CB 4.39Å; F38-P134 HydrophobicContact CZ-CG 4.28Å; F38-V136 HydrophobicContact CB-CB 4.39Å; F38-V136 HydrophobicContact CB-CG1 4.27Å; F38-V136 HydrophobicContact CB-CG2 4.28Å; F38-V136 HydrophobicContact CD1-CB 3.26Å; F38-V136 HydrophobicContact CD1-CG1 4.02Å; F38-V136 HydrophobicContact CD1-CG2 3.23Å; F38-V136 HydrophobicContact CD2-CB 4.41Å; F38-V136 HydrophobicContact CD2-CG2 3.53Å; F38-V136 HydrophobicContact CE1-CB 3.43Å; F38-V136 VanDerWaalsContact CE1-CB 3.43Å; F38-V136 HydrophobicContact CE1-CG2 3.16Å; F38-V136 HydrophobicContact CE2-CG2 3.46Å; F38-V136 VanDerWaalsContact CE2-CG2 3.46Å; F38-V136 HydrophobicContact CG-CB 3.79Å; F38-V136 HydrophobicContact CG-CG1 4.19Å; F38-V136 HydrophobicContact CG-CG2 3.4Å; F38-V136 VanDerWaalsContact CG-CG2 3.4Å; F38-V136 HydrophobicContact CZ-CB 4.09Å; F38-V136 HydrophobicContact CZ-CG2 3.27Å
39I89Confident86.6Confident0 Ų074.5 Ų74.50%036%0.359CS..Hα-helixtrans-65.8-43.9169.4-53.6-54.1000109.6C26 Y31 N33 E36 I41 H42 L43C26-I39 HydrophobicContact CB-CG2 4.16Å; Y31-I39 HydrophobicContact CD1-CD1 3.64Å; Y31-I39 HydrophobicContact CE1-CD1 3.88Å; N33-I39 HydrophobicContact CB-CD1 3.95Å; E36-I39 WeakPolarHBondContact O-CA 3.32Å; E36-I39 WeakPolarHBondContact O-CB 3.38Å; E36-I39 PolarHBondContact O-N 3.24Å; I39-I41 VanDerWaalsContact C-N 3.35Å; I39-I41 PolarHBondContact O-N 3.49Å; I39-H42 CarbonylContact O-C 3.57Å; I39-H42 WeakPolarHBondContact O-CA 3.44Å; I39-H42 WeakPolarHBondContact O-CB 3.32Å; I39-H42 PolarHBondContact O-N 3.3Å; I39-L43 HydrophobicContact CG2-CD1 4.02Å; I39-L43 HydrophobicContact CG2-CG 4.2Å; I39-L43 WeakPolarHBondContact O-CB 3.4Å; I39-L43 VanDerWaalsContact O-CG 3.29Å; I39-L43 WeakPolarHBondContact O-CG 3.45Å; I39-L43 PolarHBondContact O-N 3.45Å
40Q88.2Confident85.7Confident81 Ų8178.1 Ų78.138%0.37937%0.371SS..Hα-helixtrans-58.3-42.4175.8-65.4-67.8-8.300113.1E36 R44E36-Q40 WeakPolarHBondContact O-CG 3.42Å; E36-Q40 PolarHBondContact O-N 2.83Å; E36-Q40 PolarHBondContact OE1-NE2 2.93Å; Q40-R44 PolarHBondContact O-N 3.33Å; Q40-R44 VanDerWaalsContact O-N 3.14Å
41I88.9Confident85.2Confident69 Ų6978.6 Ų78.635%0.35437%0.374SS..Hα-helixtrans-67.9-40.1174.7-69.6164.4000111.1I37 F38 I39 R44 K45I37-I41 WeakPolarHBondContact O-CD1 3.17Å; I37-I41 VanDerWaalsContact O-CG1 3.22Å; I37-I41 WeakPolarHBondContact O-CG1 3.39Å; I37-I41 PolarHBondContact O-N 3.27Å; F38-I41 HydrophobicContact CD1-CD1 4.46Å; F38-I41 PolarHBondContact O-N 2.9Å; I39-I41 VanDerWaalsContact C-N 3.35Å; I39-I41 PolarHBondContact O-N 3.49Å; I41-R44 PolarHBondContact O-N 2.66Å; I41-K45 HydrophobicContact CG2-CD 3.89Å; I41-K45 HydrophobicContact CG2-CG 4.42Å; I41-K45 WeakPolarHBondContact O-CB 3.25Å; I41-K45 WeakPolarHBondContact O-CG 3.46Å; I41-K45 PolarHBondContact O-N 3.34Å
42H88.3Confident84.7Confident13 Ų1377.8 Ų77.86%0.0638%0.376CS..Hα-helixtrans-62.7-49.2177.7160.781.5000111.2C26 C29 Y31 F38 I39 R44 K45 Y46 H47C26-H42 VanDerWaalsContact SG-CD2 3.54Å; C26-H42 PolarHBondContact SG-NE2 2.71Å; C29-H42 PolarHBondContact SG-CE1 3.42Å; C29-H42 PolarHBondContact SG-NE2 3.2Å; Y31-H42 HydrophobicContact CD1-CB 3.62Å; Y31-H42 AromaticContact CD1-CD2 3.62Å; Y31-H42 AromaticContact CD1-CG 3.3Å; Y31-H42 AromaticContact CD1-ND1 3.6Å; Y31-H42 HydrophobicContact CE1-CB 3.54Å; Y31-H42 AromaticContact CE1-CG 3.75Å; Y31-H42 HydrophobicContact CG-CB 4.48Å; Y31-H42 AromaticContact CG-CE1 3.74Å; Y31-H42 AromaticContact CG-CG 3.79Å; Y31-H42 AromaticContact CG-ND1 3.58Å; F38-H42 VanDerWaalsContact O-CB 3.23Å; F38-H42 WeakPolarHBondContact O-CB 3.27Å; F38-H42 PolarHBondContact O-N 2.9Å; I39-H42 CarbonylContact O-C 3.57Å; I39-H42 WeakPolarHBondContact O-CA 3.44Å; I39-H42 WeakPolarHBondContact O-CB 3.32Å; I39-H42 PolarHBondContact O-N 3.3Å; H42-R44 VanDerWaalsContact C-N 3.33Å; H42-R44 PolarHBondContact O-N 2.92Å; H42-K45 PolarHBondContact O-N 2.92Å; H42-K45 VanDerWaalsContact O-N 3.11Å; H42-Y46 AromaticContact ND1-CD2 3.4Å; H42-Y46 WeakPolarHBondContact ND1-CD2 3.37Å; H42-Y46 AromaticContact ND1-CG 3.98Å; H42-Y46 WeakPolarHBondContact O-CB 3.49Å; H42-Y46 WeakPolarHBondContact O-CD2 3.3Å; H42-Y46 PolarHBondContact O-N 3.29Å; H42-H47 AromaticContact CD2-CD2 3.95Å; H42-H47 AromaticContact CE1-NE2 3.76Å; H42-H47 AromaticContact NE2-CD2 3.38Å; H42-H47 PolarHBondContact NE2-CD2 3.1Å; H42-H47 AromaticContact NE2-NE2 3.18Å; H42-H47 PolarHBondContact NE2-NE2 2.74Å; H42-H47 VanDerWaalsContact NE2-NE2 3.18Å
43L88.5Confident84.4Confident15 Ų1582.8 Ų82.88%0.07940%0.398CS..Hα-helixtrans-52.8-49.6174-72.2170.5000111.3C26 L28 I39 K45 H47 K48 G52C26-L43 WeakPolarHBondContact SG-CD2 3.35Å; L28-L43 HydrophobicContact CD1-CD2 4.11Å; I39-L43 HydrophobicContact CG2-CD1 4.02Å; I39-L43 HydrophobicContact CG2-CG 4.2Å; I39-L43 WeakPolarHBondContact O-CB 3.4Å; I39-L43 VanDerWaalsContact O-CG 3.29Å; I39-L43 WeakPolarHBondContact O-CG 3.45Å; I39-L43 PolarHBondContact O-N 3.45Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 2.91Å; L43-H47 HydrophobicContact CD2-CB 4.4Å; L43-H47 CarbonylContact O-C 3.51Å; L43-H47 WeakPolarHBondContact O-CA 3.17Å; L43-H47 WeakPolarHBondContact O-CB 3.47Å; L43-H47 PolarHBondContact O-N 3.13Å; L43-K48 PolarHBondContact O-N 2.64Å; L43-G52 WeakPolarHBondContact CD1-O 3.45Å
44R88.1Confident84.5Confident196 Ų19683.3 Ų83.374%0.7440%0.403SS*.Hα-helixtrans-61.2-37.7178.6-167.4-175.6-53-171.51.4113.5Q40 I41 H42Q40-R44 PolarHBondContact O-N 3.33Å; Q40-R44 VanDerWaalsContact O-N 3.14Å; I41-R44 PolarHBondContact O-N 2.66Å; H42-R44 VanDerWaalsContact C-N 3.33Å; H42-R44 PolarHBondContact O-N 2.92Å
45K88Confident84.6Confident127 Ų12782.9 Ų82.955%0.55241%0.406SS*.Hα-helixtrans-85.7-42.9-173-77.1-177.5177.6179.60113.4I41 H42 L43I41-K45 HydrophobicContact CG2-CD 3.89Å; I41-K45 HydrophobicContact CG2-CG 4.42Å; I41-K45 WeakPolarHBondContact O-CB 3.25Å; I41-K45 WeakPolarHBondContact O-CG 3.46Å; I41-K45 PolarHBondContact O-N 3.34Å; H42-K45 PolarHBondContact O-N 2.92Å; H42-K45 VanDerWaalsContact O-N 3.11Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 2.91Å
46Y88.5Confident84.8Confident134 Ų13483.2 Ų83.253%0.52541%0.408SS..Hα-helixtrans-101.9-33.1-170-66.8-81.6000112.1H42H42-Y46 AromaticContact ND1-CD2 3.4Å; H42-Y46 WeakPolarHBondContact ND1-CD2 3.37Å; H42-Y46 AromaticContact ND1-CG 3.98Å; H42-Y46 WeakPolarHBondContact O-CB 3.49Å; H42-Y46 WeakPolarHBondContact O-CD2 3.3Å; H42-Y46 PolarHBondContact O-N 3.29Å
47H87.1Confident84.8Confident29 Ų2983.7 Ų83.713%0.13441%0.412CS..SBendtrans-100.8-3.4-177.9-66.1-72.6000114.2L28 H42 L43 G49 E50L28-H47 WeakPolarHBondContact CB-CE1 3.28Å; L28-H47 HydrophobicContact CD1-CB 3.71Å; L28-H47 VanDerWaalsContact CD1-CG 3.46Å; L28-H47 WeakPolarHBondContact CD1-ND1 3.45Å; H42-H47 AromaticContact CD2-CD2 3.95Å; H42-H47 AromaticContact CE1-NE2 3.76Å; H42-H47 AromaticContact NE2-CD2 3.38Å; H42-H47 PolarHBondContact NE2-CD2 3.1Å; H42-H47 AromaticContact NE2-NE2 3.18Å; H42-H47 PolarHBondContact NE2-NE2 2.74Å; H42-H47 VanDerWaalsContact NE2-NE2 3.18Å; L43-H47 HydrophobicContact CD2-CB 4.4Å; L43-H47 CarbonylContact O-C 3.51Å; L43-H47 WeakPolarHBondContact O-CA 3.17Å; L43-H47 WeakPolarHBondContact O-CB 3.47Å; L43-H47 PolarHBondContact O-N 3.13Å; H47-G49 PolarHBondContact O-N 3.39Å; H47-E50 HydrophobicContact CB-CB 4.28Å; H47-E50 IonicContact CE1-OE2 3.44Å; H47-E50 IonicContact CG-OE2 3.62Å; H47-E50 IonicContact ND1-OE2 3.97Å; H47-E50 PolarHBondContact ND1-OE2 3.41Å; H47-E50 PolarHBondContact O-N 2.96Å
48K73.5Confident84.7Confident180 Ų18082.4 Ų82.478%0.78341%0.41SS*.THydrogen-bonded Turntrans32.129.4164.7-65.1-172.1-177.6175.20118.9L43L43-K48 PolarHBondContact O-N 2.64Å
49G63.4Low84.7Confident75 Ų7583.4 Ų83.477%0.77342%0.419SS*.THydrogen-bonded Turntrans128.6-4.2-178.500000116.1H47H47-G49 PolarHBondContact O-N 3.39Å
50E71.6Confident84.5Confident122 Ų12291.2 Ų91.257%0.5746%0.456SS*.SBendtrans-70.6144.3167.4-63.5173.5162.400110.2L28 H47 G52L28-E50 HydrophobicContact CD1-CB 3.57Å; H47-E50 HydrophobicContact CB-CB 4.28Å; H47-E50 IonicContact CE1-OE2 3.44Å; H47-E50 IonicContact CG-OE2 3.62Å; H47-E50 IonicContact ND1-OE2 3.97Å; H47-E50 PolarHBondContact ND1-OE2 3.41Å; H47-E50 PolarHBondContact O-N 2.96Å; E50-G52 PolarHBondContact O-N 2.89Å
51N78.8Confident84.5Confident161 Ų16193.7 Ų93.786%0.86147%0.472SS*.  trans-71.364.6178.2-72.6-14.9000111
52G79.1Confident84.4Confident18 Ų1893.2 Ų93.219%0.18647%0.469CS..  trans-92.3143.6174.600000111.3S27 L28 L43 E50S27-G52 WeakPolarHBondContact OG-CA 3.22Å; L28-G52 VanDerWaalsContact CD1-CA 3.43Å; L43-G52 WeakPolarHBondContact CD1-O 3.45Å; E50-G52 PolarHBondContact O-N 2.89Å
53E86.2Confident84.4Confident136 Ų13695.5 Ų95.564%0.63648%0.48SS*.  trans-124.6155.7-178.7-63.5-172.5160.700109.7S27 L55S27-E53 PolarHBondContact N-O 2.64Å; S27-E53 PolarHBondContact OG-N 3.33Å; S27-E53 PolarHBondContact OG-O 3.18Å; E53-L55 PolarHBondContact O-N 2.93Å
54S89Confident84.4Confident24 Ų24101.1 Ų101.117%0.16850%0.504CS..EExtended strand (participates in β ladder)trans-84105.7170.2-179.10000108.9E36E36-S54 VanDerWaalsContact CG-OG 3.24Å; E36-S54 WeakPolarHBondContact CG-OG 3.41Å
55L89.3Confident84.5Confident70 Ų7098.8 Ų98.837%0.36650%0.495SS..EExtended strand (participates in β ladder)trans-77.1129.8172.6-57.6178.8000109.2Y24 K25 E53 L57Y24-L55 CarbonylContact C-O 3.57Å; Y24-L55 VanDerWaalsContact CA-O 3.28Å; Y24-L55 WeakPolarHBondContact CA-O 3.13Å; K25-L55 HydrophobicContact CB-CB 4.45Å; K25-L55 PolarHBondContact N-O 3.49Å; K25-L55 PolarHBondContact O-N 3.44Å; E53-L55 PolarHBondContact O-N 2.93Å; L55-L57 HydrophobicContact CB-CG 4.44Å
56F91Very high84.5Confident101 Ų10193 Ų9344%0.44347%0.47SS..EExtended strand (participates in β ladder)trans-101.7107.3171.3-178.8-114000108.7P23 Y24 P58P23-F56 HydrophobicContact CB-CD2 3.93Å; P23-F56 HydrophobicContact CB-CE2 3.58Å; P23-F56 HydrophobicContact CB-CZ 4.45Å; P23-F56 HydrophobicContact CG-CD2 4.37Å; P23-F56 HydrophobicContact CG-CE2 3.82Å; Y24-F56 HydrophobicContact CD1-CB 4.34Å; Y24-F56 AromaticContact CD1-CD2 3.85Å; Y24-F56 HydrophobicContact CD1-CD2 3.85Å; Y24-F56 HydrophobicContact CD2-CD2 4.32Å; Y24-F56 HydrophobicContact CE1-CB 4.26Å; Y24-F56 AromaticContact CE1-CD2 3.48Å; Y24-F56 HydrophobicContact CE1-CD2 3.48Å; Y24-F56 VanDerWaalsContact CE1-CD2 3.48Å; Y24-F56 HydrophobicContact CE1-CE2 4.2Å; Y24-F56 HydrophobicContact CE1-CG 4.18Å; Y24-F56 AromaticContact CE2-CD2 3.98Å; Y24-F56 HydrophobicContact CE2-CD2 3.98Å; Y24-F56 HydrophobicContact CE2-CE2 4.01Å; Y24-F56 HydrophobicContact CG-CD2 4.27Å; Y24-F56 AromaticContact CZ-CD2 3.55Å; Y24-F56 AromaticContact CZ-CE2 3.78Å; F56-P58 HydrophobicContact CD1-CG 4.04Å; F56-P58 HydrophobicContact CE1-CB 3.83Å; F56-P58 HydrophobicContact CE1-CG 3.57Å; F56-P58 HydrophobicContact CE2-CB 4.43Å; F56-P58 HydrophobicContact CZ-CB 3.74Å; F56-P58 HydrophobicContact CZ-CG 4.03Å; F56-P58 VanDerWaalsContact O-CD 3.32Å; F56-P58 WeakPolarHBondContact O-CD 3.21Å
57L87.8Confident84.5Confident99 Ų9994.1 Ų94.152%0.51847%0.473SS..  trans-116.980.5-179.8-62.1178.4000108.9P23 K25 L55P23-L57 PolarHBondContact O-N 3.41Å; K25-L57 HydrophobicContact CD-CD1 3.97Å; K25-L57 HydrophobicContact CG-CD1 4.26Å; L55-L57 HydrophobicContact CB-CG 4.44Å
58P86.8Confident84.6Confident62 Ų6297.2 Ų97.240%0.40349%0.488SS..  trans-73.3153.5178.631.5-34.9000111.7Y21 F56 E63Y21-P58 WeakPolarHBondContact OH-CA 3.41Å; Y21-P58 WeakPolarHBondContact OH-CB 3.39Å; F56-P58 HydrophobicContact CD1-CG 4.04Å; F56-P58 HydrophobicContact CE1-CB 3.83Å; F56-P58 HydrophobicContact CE1-CG 3.57Å; F56-P58 HydrophobicContact CE2-CB 4.43Å; F56-P58 HydrophobicContact CZ-CB 3.74Å; F56-P58 HydrophobicContact CZ-CG 4.03Å; F56-P58 VanDerWaalsContact O-CD 3.32Å; F56-P58 WeakPolarHBondContact O-CD 3.21Å; P58-E63 VanDerWaalsContact CB-OE1 3.27Å; P58-E63 WeakPolarHBondContact CB-OE1 3.46Å
59S87.1Confident85.4Confident39 Ų3990.1 Ų90.127%0.27346%0.458SS..  trans-113.6110.2169.2169.30000108.2Y21 D61 I62 E63Y21-S59 PolarHBondContact OH-N 2.81Å; S59-D61 VanDerWaalsContact C-N 3.26Å; S59-D61 PolarHBondContact O-N 2.99Å; S59-I62 PolarHBondContact O-N 3.25Å; S59-I62 VanDerWaalsContact O-N 3.11Å; S59-I62 WeakPolarHBondContact OG-CG1 3.15Å; S59-E63 WeakPolarHBondContact O-CG 3.17Å; S59-E63 PolarHBondContact O-N 3.46Å
60E85.5Confident86.5Confident165 Ų16586.6 Ų86.677%0.77142%0.422SS*.Hα-helixtrans-56.5-40.9-177.5-66.1-173.3174.700112I62 E63 K64E60-I62 PolarHBondContact O-N 3.12Å; E60-E63 PolarHBondContact O-N 3.25Å; E60-K64 VanDerWaalsContact O-CB 3.28Å; E60-K64 WeakPolarHBondContact O-CB 3.44Å; E60-K64 PolarHBondContact O-N 2.87Å
61D88.4Confident87.2Confident133 Ų13384.7 Ų84.771%0.71142%0.416SS*.Hα-helixtrans-61.6-44177.4-62.4-50.3000112.2S59 R65S59-D61 VanDerWaalsContact C-N 3.26Å; S59-D61 PolarHBondContact O-N 2.99Å; D61-R65 WeakPolarHBondContact O-CB 3.34Å; D61-R65 PolarHBondContact O-N 3.27Å
62I86.7Confident87.5Confident59 Ų5982.2 Ų82.230%0.30340%0.399SS..Hα-helixtrans-71-41.7179.4-60.1174000110L19 Y21 S59 E60 R65 V66L19-I62 HydrophobicContact CB-CG2 4.25Å; L19-I62 HydrophobicContact CD1-CG2 4.24Å; Y21-I62 HydrophobicContact CD1-CG2 4.4Å; Y21-I62 HydrophobicContact CD2-CB 3.88Å; Y21-I62 HydrophobicContact CD2-CD1 4.08Å; Y21-I62 HydrophobicContact CD2-CG2 3.4Å; Y21-I62 HydrophobicContact CE2-CB 4.07Å; Y21-I62 HydrophobicContact CE2-CD1 4.49Å; Y21-I62 HydrophobicContact CE2-CG2 4.06Å; Y21-I62 HydrophobicContact CG-CG2 3.61Å; S59-I62 PolarHBondContact O-N 3.25Å; S59-I62 VanDerWaalsContact O-N 3.11Å; S59-I62 WeakPolarHBondContact OG-CG1 3.15Å; E60-I62 PolarHBondContact O-N 3.12Å; I62-R65 CarbonylContact O-C 3.55Å; I62-R65 WeakPolarHBondContact O-CB 3.2Å; I62-R65 PolarHBondContact O-N 2.89Å; I62-V66 HydrophobicContact CG2-CG2 4.31Å; I62-V66 VanDerWaalsContact O-CG2 3.26Å; I62-V66 WeakPolarHBondContact O-CG2 3.19Å; I62-V66 PolarHBondContact O-N 3.5Å
63E87.4Confident87.8Confident61 Ų6183.3 Ų83.329%0.28540%0.404SS..Hα-helixtrans-61.3-47.4177.1-72.1-170.5172.700111.6Y21 P58 S59 E60 R65 V66 W67Y21-E63 HydrophobicContact CE1-CG 3.61Å; Y21-E63 WeakPolarHBondContact OH-CG 3.28Å; Y21-E63 PolarHBondContact OH-OE1 3.41Å; P58-E63 VanDerWaalsContact CB-OE1 3.27Å; P58-E63 WeakPolarHBondContact CB-OE1 3.46Å; S59-E63 WeakPolarHBondContact O-CG 3.17Å; S59-E63 PolarHBondContact O-N 3.46Å; E60-E63 PolarHBondContact O-N 3.25Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.97Å; E63-V66 WeakPolarHBondContact O-CB 3.2Å; E63-V66 PolarHBondContact O-N 3.04Å; E63-V66 VanDerWaalsContact O-N 3.1Å; E63-W67 PolarHBondContact O-N 2.85Å
64K88.3Confident87.5Confident132 Ų13280 Ų8057%0.57439%0.39SS*.Hα-helixtrans-56.1-45.3174.6-175.8178.4176.4-176.50111E60 V66 W67 E68E60-K64 VanDerWaalsContact O-CB 3.28Å; E60-K64 WeakPolarHBondContact O-CB 3.44Å; E60-K64 PolarHBondContact O-N 2.87Å; K64-V66 PolarHBondContact O-N 3.3Å; K64-W67 WeakPolarHBondContact O-CB 3.46Å; K64-W67 PolarHBondContact O-N 3.44Å; K64-E68 WeakPolarHBondContact CE-OE1 3.36Å; K64-E68 WeakPolarHBondContact O-CG 3.35Å; K64-E68 PolarHBondContact O-N 3.38Å
65R90.8Very high87.1Confident148 Ų14882.8 Ų82.856%0.55840%0.4SS*.Hα-helixtrans-62.9-40.3175.9-169.5175.9-174.9176.12.4112.6L19 D61 I62 E63 W67 L69L19-R65 HydrophobicContact CD1-CB 4.42Å; L19-R65 HydrophobicContact CD1-CG 4.21Å; D61-R65 WeakPolarHBondContact O-CB 3.34Å; D61-R65 PolarHBondContact O-N 3.27Å; I62-R65 CarbonylContact O-C 3.55Å; I62-R65 WeakPolarHBondContact O-CB 3.2Å; I62-R65 PolarHBondContact O-N 2.89Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.97Å; R65-W67 VanDerWaalsContact C-N 3.31Å; R65-W67 PolarHBondContact O-N 2.87Å; R65-L69 HydrophobicContact CG-CD1 3.92Å; R65-L69 WeakPolarHBondContact O-CB 3.4Å; R65-L69 WeakPolarHBondContact O-CD1 3.47Å; R65-L69 WeakPolarHBondContact O-CG 3.45Å; R65-L69 PolarHBondContact O-N 3.41Å
66V88.6Confident86.7Confident4 Ų485.3 Ų85.32%0.02441%0.408CS..Hα-helixtrans-59.3-45.2174.1172.10000109.8F12 I15 E16 L19 I62 E63 K64 L69 A70F12-V66 HydrophobicContact CD1-CG1 3.89Å; I15-V66 HydrophobicContact CB-CG1 4.27Å; I15-V66 HydrophobicContact CG2-CB 4.13Å; I15-V66 HydrophobicContact CG2-CG1 3.83Å; I15-V66 HydrophobicContact CG2-CG2 4.26Å; E16-V66 HydrophobicContact CG-CG1 3.96Å; E16-V66 HydrophobicContact CG-CG2 4.03Å; L19-V66 HydrophobicContact CD1-CB 4.39Å; L19-V66 HydrophobicContact CD1-CG2 3.48Å; L19-V66 VanDerWaalsContact CD1-CG2 3.48Å; I62-V66 HydrophobicContact CG2-CG2 4.31Å; I62-V66 VanDerWaalsContact O-CG2 3.26Å; I62-V66 WeakPolarHBondContact O-CG2 3.19Å; I62-V66 PolarHBondContact O-N 3.5Å; E63-V66 WeakPolarHBondContact O-CB 3.2Å; E63-V66 PolarHBondContact O-N 3.04Å; E63-V66 VanDerWaalsContact O-N 3.1Å; K64-V66 PolarHBondContact O-N 3.3Å; V66-L69 PolarHBondContact O-N 2.85Å; V66-A70 VanDerWaalsContact O-CB 3.32Å; V66-A70 WeakPolarHBondContact O-CB 3.25Å; V66-A70 PolarHBondContact O-N 2.92Å
67W88Confident86.2Confident158 Ų15883 Ų8360%0.59840%0.402SS*.Hα-helixtrans-63-49.2178.9-84.3103.6000112.8F12 E63 K64 R65 L69 A70 D71F12-W67 HydrophobicContact CD1-CD2 4.44Å; F12-W67 AromaticContact CE1-CD2 3.46Å; F12-W67 HydrophobicContact CE1-CD2 3.46Å; F12-W67 VanDerWaalsContact CE1-CD2 3.46Å; F12-W67 AromaticContact CE1-CE2 3.78Å; F12-W67 AromaticContact CE1-CE3 3.37Å; F12-W67 HydrophobicContact CE1-CE3 3.37Å; F12-W67 HydrophobicContact CE1-CG 4.1Å; F12-W67 AromaticContact CE1-CH2 3.93Å; F12-W67 HydrophobicContact CE1-CH2 3.93Å; F12-W67 AromaticContact CE1-CZ2 4Å; F12-W67 HydrophobicContact CE1-CZ2 4Å; F12-W67 AromaticContact CE1-CZ3 3.64Å; F12-W67 HydrophobicContact CE1-CZ3 3.64Å; F12-W67 HydrophobicContact CE2-CH2 4.24Å; F12-W67 HydrophobicContact CE2-CZ3 4.18Å; F12-W67 AromaticContact CZ-CD2 3.96Å; F12-W67 HydrophobicContact CZ-CD2 3.96Å; F12-W67 AromaticContact CZ-CE3 3.4Å; F12-W67 HydrophobicContact CZ-CE3 3.4Å; F12-W67 VanDerWaalsContact CZ-CE3 3.4Å; F12-W67 AromaticContact CZ-CH2 3.56Å; F12-W67 HydrophobicContact CZ-CH2 3.56Å; F12-W67 HydrophobicContact CZ-CZ2 4.09Å; F12-W67 AromaticContact CZ-CZ3 3.2Å; F12-W67 HydrophobicContact CZ-CZ3 3.2Å; E63-W67 PolarHBondContact O-N 2.85Å; K64-W67 WeakPolarHBondContact O-CB 3.46Å; K64-W67 PolarHBondContact O-N 3.44Å; R65-W67 VanDerWaalsContact C-N 3.31Å; R65-W67 PolarHBondContact O-N 2.87Å; W67-L69 VanDerWaalsContact C-N 3.32Å; W67-L69 PolarHBondContact O-N 3.43Å; W67-A70 WeakPolarHBondContact O-CB 3.26Å; W67-A70 PolarHBondContact O-N 3.31Å; W67-A70 VanDerWaalsContact O-N 3.1Å; W67-D71 PolarHBondContact O-N 3.38Å
68E89.9Confident85.7Confident95 Ų9580.3 Ų80.344%0.44439%0.392SS..Hα-helixtrans-59-44177.8-71.9170.4-178.800111.5K64 A70 D71 Q72K64-E68 WeakPolarHBondContact CE-OE1 3.36Å; K64-E68 WeakPolarHBondContact O-CG 3.35Å; K64-E68 PolarHBondContact O-N 3.38Å; E68-A70 VanDerWaalsContact C-N 3.31Å; E68-A70 PolarHBondContact O-N 3.28Å; E68-D71 PolarHBondContact O-N 3.47Å; E68-Q72 WeakPolarHBondContact O-CB 3.48Å; E68-Q72 VanDerWaalsContact O-CG 3.25Å; E68-Q72 WeakPolarHBondContact O-CG 3.06Å; E68-Q72 PolarHBondContact O-N 2.9Å
69L90.1Very high85.3Confident31 Ų3185.5 Ų85.516%0.16240%0.404CS..Hα-helixtrans-66.6-33.9176.7-71166000112.1M1 I15 L19 R65 V66 W67 S73M1-L69 HydrophobicContact CE-CD1 3.67Å; M1-L69 HydrophobicContact CG-CD2 4.18Å; M1-L69 HydrophobicContact SD-CD1 3.69Å; M1-L69 HydrophobicContact SD-CD2 4.36Å; I15-L69 HydrophobicContact CD1-CB 4.14Å; I15-L69 HydrophobicContact CG2-CB 3.76Å; I15-L69 HydrophobicContact CG2-CD1 4.01Å; L19-L69 HydrophobicContact CD1-CD1 4Å; L19-L69 HydrophobicContact CD2-CD1 4.43Å; L19-L69 HydrophobicContact CG-CD1 4.5Å; R65-L69 HydrophobicContact CG-CD1 3.92Å; R65-L69 WeakPolarHBondContact O-CB 3.4Å; R65-L69 WeakPolarHBondContact O-CD1 3.47Å; R65-L69 WeakPolarHBondContact O-CG 3.45Å; R65-L69 PolarHBondContact O-N 3.41Å; V66-L69 PolarHBondContact O-N 2.85Å; W67-L69 VanDerWaalsContact C-N 3.32Å; W67-L69 PolarHBondContact O-N 3.43Å; L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 3.1Å
70A86.5Confident84.8Confident1 Ų187.5 Ų87.51%0.00841%0.414CS..Hα-helixtrans-68.8-39.9177.100000110.9R11 F12 I15 V66 W67 E68 S73 L74R11-A70 HydrophobicContact CG-CB 4.15Å; F12-A70 HydrophobicContact CD1-CB 3.96Å; F12-A70 HydrophobicContact CE1-CB 3.5Å; F12-A70 VanDerWaalsContact CE1-CB 3.5Å; F12-A70 HydrophobicContact CZ-CB 3.82Å; I15-A70 HydrophobicContact CD1-CB 3.62Å; I15-A70 VanDerWaalsContact CD1-N 3.31Å; V66-A70 VanDerWaalsContact O-CB 3.32Å; V66-A70 WeakPolarHBondContact O-CB 3.25Å; V66-A70 PolarHBondContact O-N 2.92Å; W67-A70 WeakPolarHBondContact O-CB 3.26Å; W67-A70 PolarHBondContact O-N 3.31Å; W67-A70 VanDerWaalsContact O-N 3.1Å; E68-A70 VanDerWaalsContact C-N 3.31Å; E68-A70 PolarHBondContact O-N 3.28Å; A70-S73 PolarHBondContact O-N 2.81Å; A70-S73 PolarHBondContact O-OG 2.92Å; A70-L74 PolarHBondContact O-N 3.42Å
71D85.6Confident84.2Confident81 Ų8185 Ų8543%0.43341%0.405SS..Hα-helixtrans-67.1-47.1174.8-170.165.5000111.7W67 E68 S73 L74 Q75W67-D71 PolarHBondContact O-N 3.38Å; E68-D71 PolarHBondContact O-N 3.47Å; D71-S73 PolarHBondContact O-N 3.44Å; D71-L74 WeakPolarHBondContact O-CB 3.29Å; D71-L74 PolarHBondContact O-N 3.48Å; D71-Q75 WeakPolarHBondContact O-CG 3.31Å; D71-Q75 PolarHBondContact O-N 3.23Å; D71-Q75 PolarHBondContact OD2-NE2 3.18Å
72Q86.1Confident83.5Confident110 Ų11088.7 Ų88.751%0.51441%0.409SS..Hα-helixtrans-55.5-38.3173.3-72.3172.522.200112.2E68 Q75 K76E68-Q72 WeakPolarHBondContact O-CB 3.48Å; E68-Q72 VanDerWaalsContact O-CG 3.25Å; E68-Q72 WeakPolarHBondContact O-CG 3.06Å; E68-Q72 PolarHBondContact O-N 2.9Å; Q72-Q75 PolarHBondContact O-N 3.05Å; Q72-K76 WeakPolarHBondContact O-CB 3.34Å; Q72-K76 PolarHBondContact O-N 3.47Å
73S84Confident82.4Confident41 Ų4189.1 Ų89.129%0.28742%0.421SS..Hα-helixtrans-63.6-42176.180.30000112.1L69 A70 D71 K76 T77L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 3.1Å; A70-S73 PolarHBondContact O-N 2.81Å; A70-S73 PolarHBondContact O-OG 2.92Å; D71-S73 PolarHBondContact O-N 3.44Å; S73-K76 PolarHBondContact O-N 3.03Å; S73-T77 PolarHBondContact O-N 2.77Å; S73-T77 PolarHBondContact O-OG1 2.99Å; S73-T77 VanDerWaalsContact O-OG1 3.11Å
74L81.5Confident79.9Confident65 Ų6594.6 Ų94.634%0.3445%0.447SS..Hα-helixtrans-67.2-41.6176.3-71.7174.8000111.7A70 D71 K76 T77 S78A70-L74 PolarHBondContact O-N 3.42Å; D71-L74 WeakPolarHBondContact O-CB 3.29Å; D71-L74 PolarHBondContact O-N 3.48Å; L74-K76 PolarHBondContact O-N 3.35Å; L74-T77 PolarHBondContact O-N 2.93Å; L74-S78 WeakPolarHBondContact O-CB 3.26Å; L74-S78 PolarHBondContact O-N 3.29Å
75Q79.5Confident77.7Confident84 Ų8494 Ų9439%0.39346%0.456SS..Hα-helixtrans-61.6-43.8175.6-66.9-174.827.100111.3D71 Q72 S78 R79D71-Q75 WeakPolarHBondContact O-CG 3.31Å; D71-Q75 PolarHBondContact O-N 3.23Å; D71-Q75 PolarHBondContact OD2-NE2 3.18Å; Q72-Q75 PolarHBondContact O-N 3.05Å; Q75-S78 PolarHBondContact O-N 2.82Å; Q75-R79 WeakPolarHBondContact O-CG 3.46Å; Q75-R79 PolarHBondContact O-N 3.4Å
76K81Confident75.2Confident122 Ų12293.1 Ų93.153%0.5347%0.467SS..Hα-helixtrans-59.9-48175.1-172.4179.1178.2-175.10110.6D3 Q72 S73 L74 S78 R79 V80D3-K76 IonicContact OD1-NZ 3.92Å; D3-K76 PolarHBondContact OD1-NZ 3.28Å; D3-K76 VanDerWaalsContact OD1-NZ 3.12Å; Q72-K76 WeakPolarHBondContact O-CB 3.34Å; Q72-K76 PolarHBondContact O-N 3.47Å; S73-K76 PolarHBondContact O-N 3.03Å; L74-K76 PolarHBondContact O-N 3.35Å; K76-S78 VanDerWaalsContact C-N 3.35Å; K76-S78 PolarHBondContact O-N 3.32Å; K76-R79 PolarHBondContact O-N 3.02Å; K76-V80 WeakPolarHBondContact O-CG2 3.16Å; K76-V80 PolarHBondContact O-N 2.88Å
77T80.6Confident72.7Confident52 Ų52101.4 Ų101.432%0.31951%0.506SS..Hα-helixtrans-59.8-43175.8-60.70000112W5 S73 L74 R79 V80 I81W5-T77 HydrophobicContact CZ3-CG2 3.96Å; S73-T77 PolarHBondContact O-N 2.77Å; S73-T77 PolarHBondContact O-OG1 2.99Å; S73-T77 VanDerWaalsContact O-OG1 3.11Å; L74-T77 PolarHBondContact O-N 2.93Å; T77-R79 PolarHBondContact O-N 2.93Å; T77-V80 PolarHBondContact O-N 3.07Å; T77-I81 HydrophobicContact CG2-CD1 3.72Å; T77-I81 HydrophobicContact CG2-CG1 4.44Å; T77-I81 VanDerWaalsContact O-CG1 3.27Å; T77-I81 WeakPolarHBondContact O-CG1 3.24Å; T77-I81 PolarHBondContact O-N 3.32Å
78S77.2Confident70.1Confident44 Ų44100.6 Ų100.631%0.30852%0.524SS..Hα-helixtrans-65-38.1177.6-176.60000112.7L74 Q75 K76 I81 R82L74-S78 WeakPolarHBondContact O-CB 3.26Å; L74-S78 PolarHBondContact O-N 3.29Å; Q75-S78 PolarHBondContact O-N 2.82Å; K76-S78 VanDerWaalsContact C-N 3.35Å; K76-S78 PolarHBondContact O-N 3.32Å; S78-I81 PolarHBondContact O-N 2.99Å; S78-R82 WeakPolarHBondContact O-CB 3.44Å; S78-R82 WeakPolarHBondContact O-CG 3.3Å; S78-R82 PolarHBondContact O-N 2.69Å
79R79.3Confident67.4Low171 Ų17198.9 Ų98.965%0.64553%0.532SS*.Hα-helixtrans-65.1-43.2176.1-71.8175.8-166.3179.16110.9Q75 K76 T77 I81 R82 A83Q75-R79 WeakPolarHBondContact O-CG 3.46Å; Q75-R79 PolarHBondContact O-N 3.4Å; K76-R79 PolarHBondContact O-N 3.02Å; T77-R79 PolarHBondContact O-N 2.93Å; R79-I81 PolarHBondContact O-N 3.5Å; R79-R82 PolarHBondContact O-N 3.48Å; R79-A83 WeakPolarHBondContact O-CB 3.27Å; R79-A83 PolarHBondContact O-N 3.32Å
80V76.3Confident64.7Low81 Ų81103.5 Ų103.549%0.49156%0.561SS.*Hα-helixtrans-62.5-42.3176.5173.60000111.4W5 K76 T77W5-V80 HydrophobicContact CH2-CG1 4.3Å; K76-V80 WeakPolarHBondContact O-CG2 3.16Å; K76-V80 PolarHBondContact O-N 2.88Å; T77-V80 PolarHBondContact O-N 3.07Å
81I72.9Confident62.2Low113 Ų113109.1 Ų109.158%0.57960%0.596SS**Hα-helixtrans-68.3-38.4178.7-66.8166.5000112T77 S78 R79T77-I81 HydrophobicContact CG2-CD1 3.72Å; T77-I81 HydrophobicContact CG2-CG1 4.44Å; T77-I81 VanDerWaalsContact O-CG1 3.27Å; T77-I81 WeakPolarHBondContact O-CG1 3.24Å; T77-I81 PolarHBondContact O-N 3.32Å; S78-I81 PolarHBondContact O-N 2.99Å; R79-I81 PolarHBondContact O-N 3.5Å
82R73Confident59.7Low210 Ų210109.9 Ų109.979%0.79261%0.607SS**Hα-helixtrans-77.4-23.8179.7-72-179.3-172.1-178.22.3113.6S78 R79 E84S78-R82 WeakPolarHBondContact O-CB 3.44Å; S78-R82 WeakPolarHBondContact O-CG 3.3Å; S78-R82 PolarHBondContact O-N 2.69Å; R79-R82 PolarHBondContact O-N 3.48Å; R82-E84 VanDerWaalsContact C-N 3.27Å; R82-E84 PolarHBondContact O-N 2.98Å
83A64.1Low57Low67 Ų67112.2 Ų112.255%0.55462%0.623SS**THydrogen-bonded Turntrans-85.916.7-174.400000113.8R79 P85R79-A83 WeakPolarHBondContact O-CB 3.27Å; R79-A83 PolarHBondContact O-N 3.32Å; A83-P85 WeakPolarHBondContact O-CD 3.29Å; A83-P85 VanDerWaalsContact O-CG 3.28Å; A83-P85 WeakPolarHBondContact O-CG 3.41Å
84E35.3Very low54.6Low176 Ų176114.5 Ų114.582%0.82264%0.644SS**  trans-65.1109.5170.4-71.5-124.9144.100110.3R82R82-E84 VanDerWaalsContact C-N 3.27Å; R82-E84 PolarHBondContact O-N 2.98Å
85P41.6Very low52.5Low120 Ų120119.7 Ų119.778%0.77967%0.667SS**  trans-97.2131.5172.65.919.7000108.4A83 Q87A83-P85 WeakPolarHBondContact O-CD 3.29Å; A83-P85 VanDerWaalsContact O-CG 3.28Å; A83-P85 WeakPolarHBondContact O-CG 3.41Å; P85-Q87 PolarHBondContact O-N 3.47Å
86V39Very low50.3Low130 Ų130123.9 Ų123.979%0.78869%0.689SS**  trans-38.1126.7169.7176.80000112.4
87Q36.1Very low48.2Very low178 Ų178123.8 Ų123.883%0.83270%0.703SS**  trans26.7100.7152.9-59.7178.7-0.200116.9P85 G89P85-Q87 PolarHBondContact O-N 3.47Å; Q87-G89 VanDerWaalsContact C-N 3.32Å; Q87-G89 PolarHBondContact O-N 3.27Å
88S33Very low45.8Very low140 Ų140130.4 Ų130.498%0.97973%0.731SS**  trans-64.989.3163.3-57.20000110.8
89G33.2Very low43.8Very low59 Ų59136.3 Ų136.361%0.60876%0.757SS**  trans-110.6109.6165.600000110.9Q87Q87-G89 VanDerWaalsContact C-N 3.32Å; Q87-G89 PolarHBondContact O-N 3.27Å
90V33.9Very low41.4Very low129 Ų129132.5 Ų132.578%0.78276%0.756SS**  trans67.5116.8139.3-164.30000118.9
91T33.8Very low39.4Very low119 Ų119136 Ų13673%0.7377%0.772SS**  trans78.4109.8145.455.60000123
92S31.8Very low37.3Very low96 Ų96137.7 Ų137.767%0.67178%0.783SS**  57.1123.7125.367.80000122.2
93N29.1Very low35.4Very low160 Ų160139.4 Ų139.486%0.85679%0.789SS**  trans61.6112.5137.9-63.2-7.5000118.8
94A34.8Very low33.9Very low88 Ų88141.2 Ų141.273%0.72780%0.797SS**  166.3126.7108.100000111.7
95Q37.4Very low33.8Very low175 Ų175138.7 Ų138.782%0.81880%0.8SS**  trans51.4105.9136.7-66.7171.3-25.500120.7
96M32.2Very low33.3Very low172 Ų172144.4 Ų144.485%0.84781%0.806SS**  50.9112.3108.6-156.9149.571.100118.8
97S36.6Very low33.3Very low120 Ų120142.8 Ų142.884%0.83980%0.798SS**  170.3148.2118420000112.4
98Q31.5Very low33Very low191 Ų191140 Ų14089%0.89379%0.789SS**  trans-85145-173.7-62.4169.8-28.400111.6
99I34.3Very low33.1Very low168 Ų168141.6 Ų141.686%0.86278%0.778SS**  trans-138.5116156-63-178.9000107.7
100S29.4Very low33Very low90 Ų90144.7 Ų144.763%0.62979%0.79SS**  trans-74.4155.4161.551.70000109.7
101D33.6Very low32.8Very low156 Ų156142.3 Ų142.383%0.83479%0.791SS**  177142.9122.2-82.3-11.6000113.3
102D29Very low32.4Very low148 Ų148142.5 Ų142.579%0.79180%0.796SS**  trans-50.5149.8174-100.1-46.7000115.5
103R34Very low32Very low245 Ų245147 Ų14793%0.92581%0.807SS**  179119.7120-99.4169.5177.7-165.9-0.3114
104S31.8Very low32.1Very low105 Ų105144.1 Ų144.173%0.73480%0.799SS**  trans-42.1144.6156.3-50.70000114.5
105S34.6Very low31.7Very low124 Ų124148.3 Ų148.387%0.86780%0.804SS**  169.4125.3124.2-70.20000112.7
106R30.6Very low31.1Very low240 Ų240145.5 Ų145.591%0.90680%0.804SS**  trans-81-168.6169.1-123.2178.9-175.4-172.31.4109.5
107P37.7Very low30.8Very low96 Ų96144.8 Ų144.862%0.62380%0.802SS**  cis-143.5-160.5-12.232.9-7.6000114.8
108D30.9Very low30.4Very low120 Ų120144.6 Ų144.664%0.64280%0.795SS**  trans83.2141.4153.5-73.91.8000118.4
109K34.5Very low30Very low173 Ų173144.5 Ų144.575%0.75279%0.792SS**  cis-173.7173.10.4-115.9169.8-172.91410108.9
110S32.6Very low29.7Very low123 Ų123142.3 Ų142.386%0.8679%0.788SS**  trans93.6123.2170.179.80000115.2
111G29.4Very low29.6Very low79 Ų79144.7 Ų144.781%0.81479%0.793SS**  cis128.897.2800000109.6
112C25.7Very low29.3Very low123 Ų123143.3 Ų143.383%0.83178%0.784SS**  trans-157.5104.8157.5-166.40000109
113E23.2Very low29.1Very low190 Ų190140.7 Ų140.789%0.88878%0.784SS**  trans-84.5132.7166.3-66.9176.1145.700108.8
114S31.1Very low29Very low101 Ų101135.6 Ų135.671%0.70678%0.775SS**  trans-179.1105.1146.6290000110.6
115E26.1Very low29.1Very low176 Ų176139.6 Ų139.682%0.82278%0.779SS**  trans31.9120.7131.6-62.9-178.7148.100120.2
116S23.8Very low29Very low116 Ų116143.3 Ų143.381%0.81178%0.779SS**  trans65.472.8138.967.70000119.1
117I27.3Very low29Very low157 Ų157142.7 Ų142.781%0.80578%0.777SS**  trans-13498167.8-60.4-177000111.9
118V27.6Very low28.5Very low115 Ų115149.5 Ų149.570%0.69779%0.79SS**  trans80.8101.6134.9-174.40000119P120V118-P120 WeakPolarHBondContact O-CD 3.48Å
119K23.3Very low28.4Very low189 Ų189149 Ų14982%0.82280%0.797SS**  trans-53.8125.3142.7-69.7172.7176.5172.50109.8L121K119-L121 PolarHBondContact O-N 3.26Å
120P27.3Very low28Very low122 Ų122146 Ų14679%0.79280%0.797SS**  trans-89.695.1160.2-5.225.2000109.2V118V118-P120 WeakPolarHBondContact O-CD 3.48Å
121L27Very low27.8Very low141 Ų141148.5 Ų148.574%0.73880%0.795SS**  trans-60.6137.1151.1-79.5165.1000109K119K119-L121 PolarHBondContact O-N 3.26Å
122I27.3Very low27.9Very low126 Ų126152.3 Ų152.365%0.64680%0.795SS**  trans76.799.7154-51.5151.8000116.9
123A26.5Very low28.1Very low94 Ų94150.7 Ų150.778%0.77779%0.785SS**SBendtrans-148.671144.800000111.2
124N30Very low28.6Very low137 Ų137145.4 Ų145.473%0.73377%0.767SS**  trans-161.335.9154.4-107-22.6000114.3K126N124-K126 PolarHBondContact O-N 3.18Å
125K35.1Very low28.8Very low189 Ų189146.3 Ų146.382%0.82276%0.76SS**SBendtrans-80.510.5178-120.2176.9-177.9178.20114.7
126K33.2Very low29.4Very low202 Ų202139.9 Ų139.988%0.87873%0.732SS**  trans-142.863.9178-72.3-172.8179.21780113.1N124N124-K126 PolarHBondContact O-N 3.18Å
127R29.7Very low30.3Very low227 Ų227134.8 Ų134.886%0.85770%0.696SS**  trans-129.264.9153.8-84.1-172.9169.8-179.2-4.2109.3
128R27.7Very low31.1Very low239 Ų239128.9 Ų128.990%0.90267%0.668SS**  trans-76.7135.2157.6-90.4-178.6163.8-179.9-4.8107.4
129S28.2Very low32.2Very low111 Ų111130 Ų13078%0.77666%0.663SS**SBendtrans86.7122.6169.5-50.20000116.3
130S26Very low33.8Very low108 Ų108128.8 Ų128.876%0.75566%0.661SS**  trans85.7109.8171.673.80000118.3
131H28.7Very low35.6Very low177 Ų177127.8 Ų127.882%0.81964%0.644SS**  trans57.7113139.1-68.6-84000120
132I31Very low37.7Very low159 Ų159123.9 Ų123.982%0.81562%0.622SS**  145.297.2127-70.7151.5000108.1P134I132-P134 WeakPolarHBondContact O-CD 3.44Å
133S29.5Very low40.2Very low88 Ų88119.1 Ų119.162%0.61560%0.597SS**  trans-65.2119.8166.6-162.10000108.5H135S133-H135 PolarHBondContact O-N 3.01Å; S133-H135 VanDerWaalsContact O-N 3.1Å
134P33.9Very low42.9Very low80 Ų80118.9 Ų118.952%0.51958%0.58SS.*  trans-74.399.9160.921.2-9.8000105.8F38 I132 V136F38-P134 WeakPolarHBondContact CE1-O 3.42Å; F38-P134 HydrophobicContact CZ-CB 4.39Å; F38-P134 HydrophobicContact CZ-CG 4.28Å; I132-P134 WeakPolarHBondContact O-CD 3.44Å; P134-V136 PolarHBondContact O-N 3.29Å
135H35.9Very low45.4Very low120 Ų120112.4 Ų112.456%0.55655%0.545SS*.  trans-57.694.7178-110.2-63.9000110.3S133 L137S133-H135 PolarHBondContact O-N 3.01Å; S133-H135 VanDerWaalsContact O-N 3.1Å; H135-L137 HydrophobicContact CB-CD2 4.21Å; H135-L137 HydrophobicContact CB-CG 4.15Å; H135-L137 WeakPolarHBondContact ND1-CD2 3.49Å
136V39.5Very low47.9Very low40 Ų40107.5 Ų107.524%0.24254%0.535CS..PPolyproline II helixtrans-74.6120.6148.7160.50000106.5Y31 N33 F38 P134Y31-V136 WeakPolarHBondContact OH-CG1 3.44Å; N33-V136 WeakPolarHBondContact ND2-CG1 3.41Å; F38-V136 HydrophobicContact CB-CB 4.39Å; F38-V136 HydrophobicContact CB-CG1 4.27Å; F38-V136 HydrophobicContact CB-CG2 4.28Å; F38-V136 HydrophobicContact CD1-CB 3.26Å; F38-V136 HydrophobicContact CD1-CG1 4.02Å; F38-V136 HydrophobicContact CD1-CG2 3.23Å; F38-V136 HydrophobicContact CD2-CB 4.41Å; F38-V136 HydrophobicContact CD2-CG2 3.53Å; F38-V136 HydrophobicContact CE1-CB 3.43Å; F38-V136 VanDerWaalsContact CE1-CB 3.43Å; F38-V136 HydrophobicContact CE1-CG2 3.16Å; F38-V136 HydrophobicContact CE2-CG2 3.46Å; F38-V136 VanDerWaalsContact CE2-CG2 3.46Å; F38-V136 HydrophobicContact CG-CB 3.79Å; F38-V136 HydrophobicContact CG-CG1 4.19Å; F38-V136 HydrophobicContact CG-CG2 3.4Å; F38-V136 VanDerWaalsContact CG-CG2 3.4Å; F38-V136 HydrophobicContact CZ-CB 4.09Å; F38-V136 HydrophobicContact CZ-CG2 3.27Å; P134-V136 PolarHBondContact O-N 3.29Å
137L42.2Very low50.3Low9 Ų9102.2 Ų102.25%0.04752%0.515CS..PPolyproline II helixtrans-98.7149.2-176.3-63.8154.3000108H135 K141 R153H135-L137 HydrophobicContact CB-CD2 4.21Å; H135-L137 HydrophobicContact CB-CG 4.15Å; H135-L137 WeakPolarHBondContact ND1-CD2 3.49Å; L137-K141 HydrophobicContact CB-CB 3.73Å; L137-K141 HydrophobicContact CB-CD 4.18Å; L137-K141 HydrophobicContact CB-CG 4.48Å; L137-K141 HydrophobicContact CD1-CB 4.47Å; L137-K141 HydrophobicContact CD2-CD 3.7Å; L137-K141 HydrophobicContact CG-CB 4.47Å; L137-K141 HydrophobicContact CG-CD 4.47Å; L137-R153 HydrophobicContact CD1-CB 4.14Å; L137-R153 HydrophobicContact CD1-CG 3.43Å; L137-R153 VanDerWaalsContact CD1-CG 3.43Å
138P44.6Very low52.7Low33 Ų3395 Ų9521%0.21450%0.499CS..PPolyproline II helixtrans-50146.4168.8-24.233.5000110.6E140 K141P138-E140 PolarHBondContact O-N 2.91Å; P138-K141 WeakPolarHBondContact O-CB 3.4Å; P138-K141 PolarHBondContact O-N 2.7Å
139K50.8Low55.2Low139 Ų13984.3 Ų84.360%0.60446%0.462SS*.G310 helixtrans-47.4-31.4178.2-76.6-177.6176.61770112.7K141 E142K139-K141 PolarHBondContact O-N 2.72Å; K139-K141 VanDerWaalsContact O-N 3.12Å; K139-E142 PolarHBondContact O-N 3.07Å; K139-E142 VanDerWaalsContact O-N 3.14Å
140E56.8Low57.5Low163 Ų16383.1 Ų83.176%0.76244%0.442SS*.G310 helixtrans-59.4-19.2174.8-61.4175.4177.600115.4P138P138-E140 PolarHBondContact O-N 2.91Å
141K64.4Low59.9Low101 Ų10181.9 Ų81.944%0.43942%0.421SS..G310 helixtrans-106.811.2-178.2-61.6-169.2-173.3179.90112.4L137 P138 K139 R153 K154L137-K141 HydrophobicContact CB-CB 3.73Å; L137-K141 HydrophobicContact CB-CD 4.18Å; L137-K141 HydrophobicContact CB-CG 4.48Å; L137-K141 HydrophobicContact CD1-CB 4.47Å; L137-K141 HydrophobicContact CD2-CD 3.7Å; L137-K141 HydrophobicContact CG-CB 4.47Å; L137-K141 HydrophobicContact CG-CD 4.47Å; P138-K141 WeakPolarHBondContact O-CB 3.4Å; P138-K141 PolarHBondContact O-N 2.7Å; K139-K141 PolarHBondContact O-N 2.72Å; K139-K141 VanDerWaalsContact O-N 3.12Å; K141-R153 CarbonylContact O-C 3.58Å; K141-R153 WeakPolarHBondContact O-CA 3.24Å; K141-K154 WeakPolarHBondContact O-CB 3.48Å; K141-K154 PolarHBondContact O-N 2.83Å
142E70.9Confident62.1Low60 Ų6074.2 Ų74.228%0.2839%0.387SS..EExtended strand (participates in β ladder)trans-114.3147.8172.4-63.7-174.1166.800109.7K139 T152K139-E142 PolarHBondContact O-N 3.07Å; K139-E142 VanDerWaalsContact O-N 3.14Å; E142-T152 CarbonylContact C-O 3.58Å; E142-T152 VanDerWaalsContact CA-O 3.24Å; E142-T152 WeakPolarHBondContact CA-O 3.25Å
143E78.9Confident63.9Low25 Ų2571.5 Ų71.512%0.11737%0.366CS..EExtended strand (participates in β ladder)trans-123.8136.9171.1-70.4-71.616000107.6Y151 T152 K154 L159 F226 S228E143-Y151 WeakPolarHBondContact O-CA 3.16Å; E143-T152 PolarHBondContact N-O 2.95Å; E143-T152 PolarHBondContact O-N 2.92Å; E143-K154 HydrophobicContact CG-CB 3.81Å; E143-K154 HydrophobicContact CG-CD 3.96Å; E143-K154 HydrophobicContact CG-CG 3.6Å; E143-K154 WeakPolarHBondContact OE1-CD 3.44Å; E143-K154 WeakPolarHBondContact OE1-CE 3.11Å; E143-K154 IonicContact OE1-NZ 3.22Å; E143-K154 PolarHBondContact OE1-NZ 3.45Å; E143-L159 HydrophobicContact CB-CD2 4.08Å; E143-F226 HydrophobicContact CB-CD1 3.72Å; E143-F226 HydrophobicContact CB-CE1 4.02Å; E143-S228 PolarHBondContact OE2-OG 3.4Å
144Q83.3Confident65.9Low90 Ų9072 Ų7242%0.42136%0.357SS..EExtended strand (participates in β ladder)trans-89.6131.3176.2-167.7177.7-1.300109.3S146 G149 Y151 F226Q144-S146 PolarHBondContact O-N 3.11Å; Q144-G149 WeakPolarHBondContact CG-O 3.37Å; Q144-G149 PolarHBondContact NE2-O 3.37Å; Q144-Y151 HydrophobicContact CB-CD1 3.89Å; Q144-Y151 HydrophobicContact CB-CE1 3.6Å; Q144-Y151 VanDerWaalsContact CD-CZ 3.47Å; Q144-Y151 VanDerWaalsContact CD-OH 3.26Å; Q144-Y151 HydrophobicContact CG-CD1 4.25Å; Q144-Y151 HydrophobicContact CG-CD2 4.49Å; Q144-Y151 HydrophobicContact CG-CE1 3.86Å; Q144-Y151 HydrophobicContact CG-CE2 4.14Å; Q144-Y151 PolarHBondContact OE1-OH 3.05Å; Q144-F226 WeakPolarHBondContact O-CD1 3.2Å
145C84Confident67.6Low1 Ų171 Ų711%0.00735%0.347CS..  trans-70.1124.9172.91760000109.9I147 G149 Y150 Y162 H166 C225 F226C145-I147 PolarHBondContact O-N 3.1Å; C145-I147 PolarHBondContact SG-N 3.12Å; C145-G149 WeakPolarHBondContact O-CA 3.34Å; C145-G149 PolarHBondContact O-N 3.22Å; C145-Y150 PolarHBondContact N-O 3.31Å; C145-Y162 HydrophobicContact CB-CE1 3.54Å; C145-Y162 WeakPolarHBondContact CB-OH 3.07Å; C145-Y162 VanDerWaalsContact SG-CE1 3.57Å; C145-Y162 PolarHBondContact SG-OH 3.13Å; C145-H166 PolarHBondContact SG-NE2 2.87Å; C145-C225 CarbonylContact C-O 3.58Å; C145-C225 VanDerWaalsContact CA-O 3.31Å; C145-C225 WeakPolarHBondContact CA-O 3.42Å; C145-F226 VanDerWaalsContact CA-CE1 3.47Å; C145-F226 HydrophobicContact CB-CE1 3.84Å; C145-F226 HydrophobicContact CB-CZ 3.85Å
146S86.6Confident69.4Low86 Ų8668.1 Ų68.160%0.60134%0.336SS*.THydrogen-bonded Turntrans-69.1-17.3177.6-49.70000113.6Q144 N224 C225Q144-S146 PolarHBondContact O-N 3.11Å; S146-N224 WeakPolarHBondContact CB-O 3.27Å; S146-C225 PolarHBondContact N-O 2.77Å; S146-C225 PolarHBondContact OG-O 3.22Å
147I83.2Confident71Confident90 Ų9073.2 Ų73.246%0.46236%0.355SS..THydrogen-bonded Turntrans-83.9-48-178.6-57.1-176.3000112.1C145 T221 N224 C225C145-I147 PolarHBondContact O-N 3.1Å; C145-I147 PolarHBondContact SG-N 3.12Å; I147-T221 HydrophobicContact CD1-CG2 4.17Å; I147-N224 HydrophobicContact CD1-CB 4.02Å; I147-N224 HydrophobicContact CG1-CB 4.44Å; I147-C225 WeakPolarHBondContact CD1-SG 3.48Å
148C81.6Confident72.5Confident76 Ų7674.5 Ų74.551%0.51437%0.365SS..THydrogen-bonded Turntrans-123.90.7-177.585.20000115Y150 Y162C148-Y150 VanDerWaalsContact C-N 3.3Å; C148-Y150 PolarHBondContact O-N 3.36Å; C148-Y162 PolarHBondContact SG-OH 3.01Å
149G79.3Confident74.2Confident14 Ų1473 Ų7314%0.14436%0.355CS..  trans78.84.2176.500000115.4Q144 C145Q144-G149 WeakPolarHBondContact CG-O 3.37Å; Q144-G149 PolarHBondContact NE2-O 3.37Å; C145-G149 WeakPolarHBondContact O-CA 3.34Å; C145-G149 PolarHBondContact O-N 3.22Å
150Y75.9Confident75.7Confident87 Ų8767.2 Ų67.234%0.34133%0.332SS..  trans-69.5135179.1-175.6-94.9000111.9C145 C148 Y162C145-Y150 PolarHBondContact N-O 3.31Å; C148-Y150 VanDerWaalsContact C-N 3.3Å; C148-Y150 PolarHBondContact O-N 3.36Å; Y150-Y162 WeakPolarHBondContact CB-OH 3.39Å; Y150-Y162 AromaticContact CD1-CD2 3.59Å; Y150-Y162 HydrophobicContact CD1-CD2 3.59Å; Y150-Y162 AromaticContact CD1-CE2 3.23Å; Y150-Y162 HydrophobicContact CD1-CE2 3.23Å; Y150-Y162 HydrophobicContact CE1-CD2 4.02Å; Y150-Y162 HydrophobicContact CE1-CE2 4.07Å; Y150-Y162 HydrophobicContact CG-CD2 4.41Å; Y150-Y162 AromaticContact CG-CE2 3.64Å; Y150-Y162 HydrophobicContact CG-CE2 3.64Å
151Y77Confident77Confident81 Ų8161 Ų6132%0.31830%0.304SS..EExtended strand (participates in β ladder)trans-88.4120.5173.7-68-89.8000110.4E143 Q144E143-Y151 WeakPolarHBondContact O-CA 3.16Å; Q144-Y151 HydrophobicContact CB-CD1 3.89Å; Q144-Y151 HydrophobicContact CB-CE1 3.6Å; Q144-Y151 VanDerWaalsContact CD-CZ 3.47Å; Q144-Y151 VanDerWaalsContact CD-OH 3.26Å; Q144-Y151 HydrophobicContact CG-CD1 4.25Å; Q144-Y151 HydrophobicContact CG-CD2 4.49Å; Q144-Y151 HydrophobicContact CG-CE1 3.86Å; Q144-Y151 HydrophobicContact CG-CE2 4.14Å; Q144-Y151 PolarHBondContact OE1-OH 3.05Å
152T73.9Confident77.9Confident16 Ų1657.4 Ų57.410%0.09829%0.288CS..EExtended strand (participates in β ladder)trans-121.9159.8174.2-168.30000110.6E142 E143 K154 L159 Y162 F226E142-T152 CarbonylContact C-O 3.58Å; E142-T152 VanDerWaalsContact CA-O 3.24Å; E142-T152 WeakPolarHBondContact CA-O 3.25Å; E143-T152 PolarHBondContact N-O 2.95Å; E143-T152 PolarHBondContact O-N 2.92Å; T152-K154 PolarHBondContact O-N 3.04Å; T152-L159 HydrophobicContact CG2-CD2 3.23Å; T152-L159 HydrophobicContact CG2-CG 4.09Å; T152-Y162 HydrophobicContact CG2-CG 4.42Å; T152-F226 HydrophobicContact CG2-CE1 3.78Å; T152-F226 HydrophobicContact CG2-CE2 4.35Å; T152-F226 HydrophobicContact CG2-CZ 3.48Å; T152-F226 VanDerWaalsContact CG2-CZ 3.48Å
153R69.9Low78.7Confident102 Ų10254.5 Ų54.539%0.38528%0.275SS..EExtended strand (participates in β ladder)trans-62.4131.4178-178.2172.8-168.5169.15.6109.8L137 K141 N155L137-R153 HydrophobicContact CD1-CB 4.14Å; L137-R153 HydrophobicContact CD1-CG 3.43Å; L137-R153 VanDerWaalsContact CD1-CG 3.43Å; K141-R153 CarbonylContact O-C 3.58Å; K141-R153 WeakPolarHBondContact O-CA 3.24Å; R153-N155 HydrophobicContact CG-CB 4.06Å; R153-N155 PolarHBondContact O-N 3.09Å
154K71.3Confident79.2Confident100 Ų10053.3 Ų53.344%0.43527%0.269SS..SBendtrans-6665.9172.6-167.4174.7-174.41500111.5K141 E143 T152 F229K141-K154 WeakPolarHBondContact O-CB 3.48Å; K141-K154 PolarHBondContact O-N 2.83Å; E143-K154 HydrophobicContact CG-CB 3.81Å; E143-K154 HydrophobicContact CG-CD 3.96Å; E143-K154 HydrophobicContact CG-CG 3.6Å; E143-K154 WeakPolarHBondContact OE1-CD 3.44Å; E143-K154 WeakPolarHBondContact OE1-CE 3.11Å; E143-K154 IonicContact OE1-NZ 3.22Å; E143-K154 PolarHBondContact OE1-NZ 3.45Å; T152-K154 PolarHBondContact O-N 3.04Å; K154-F229 HydrophobicContact CG-CD2 3.81Å; K154-F229 HydrophobicContact CG-CE2 3.97Å
155N70.3Confident79.2Confident58 Ų5852.7 Ų52.731%0.3126%0.263SS..SBendtrans-139.8137.7179.517911.4000108.1R153 F157 S158 L159R153-N155 HydrophobicContact CG-CB 4.06Å; R153-N155 PolarHBondContact O-N 3.09Å; N155-F157 VanDerWaalsContact C-N 3.25Å; N155-F157 PolarHBondContact O-N 2.97Å; N155-S158 PolarHBondContact O-N 3.47Å; N155-S158 VanDerWaalsContact O-N 3.14Å; N155-L159 WeakPolarHBondContact O-CB 3.46Å; N155-L159 WeakPolarHBondContact O-CG 3.47Å; N155-L159 PolarHBondContact O-N 3.41Å
156L73.3Confident79.3Confident59 Ų5955 Ų5531%0.30927%0.274SS..Hα-helixtrans-53.5-42-176.4-177.564000112.6S160 F229 Y230 I238L156-S160 WeakPolarHBondContact O-CB 3.29Å; L156-S160 PolarHBondContact O-N 3.16Å; L156-F229 HydrophobicContact CB-CZ 4.32Å; L156-F229 HydrophobicContact CD1-CE1 4.02Å; L156-Y230 HydrophobicContact CD1-CE1 4.15Å; L156-I238 HydrophobicContact CD1-CD1 4.48Å
157F73.2Confident79.4Confident147 Ų14751 Ų5165%0.64525%0.246SC*.Hα-helixtrans-67.7-47.1179.4-60.9-78.2000112.2N155 S160 D161N155-F157 VanDerWaalsContact C-N 3.25Å; N155-F157 PolarHBondContact O-N 2.97Å; F157-S160 PolarHBondContact O-N 3.3Å; F157-D161 WeakPolarHBondContact O-CB 3.45Å; F157-D161 PolarHBondContact O-N 3Å
158S73.8Confident79.4Confident37 Ų3750.7 Ų50.726%0.25925%0.25SC..Hα-helixtrans-67-39-178.2-57.30000112.2N155 Y162N155-S158 PolarHBondContact O-N 3.47Å; N155-S158 VanDerWaalsContact O-N 3.14Å; S158-Y162 WeakPolarHBondContact O-CB 3.4Å; S158-Y162 PolarHBondContact O-N 2.83Å; S158-Y162 VanDerWaalsContact O-N 3.1Å
159L80.2Confident79.6Confident0 Ų054.6 Ų54.60%026%0.258CS..Hα-helixtrans-68.5-43.6174.2-68.3165.1000110.8E143 T152 N155 Y162 V163 F226 F229 Y230E143-L159 HydrophobicContact CB-CD2 4.08Å; T152-L159 HydrophobicContact CG2-CD2 3.23Å; T152-L159 HydrophobicContact CG2-CG 4.09Å; N155-L159 WeakPolarHBondContact O-CB 3.46Å; N155-L159 WeakPolarHBondContact O-CG 3.47Å; N155-L159 PolarHBondContact O-N 3.41Å; L159-Y162 PolarHBondContact O-N 3.43Å; L159-V163 VanDerWaalsContact O-CG2 3.26Å; L159-V163 WeakPolarHBondContact O-CG2 3.26Å; L159-V163 PolarHBondContact O-N 2.81Å; L159-F226 HydrophobicContact CB-CD2 4.42Å; L159-F226 HydrophobicContact CB-CE2 4.35Å; L159-F226 HydrophobicContact CD2-CB 4.44Å; L159-F226 HydrophobicContact CD2-CD1 3.62Å; L159-F226 HydrophobicContact CD2-CD2 3.49Å; L159-F226 VanDerWaalsContact CD2-CD2 3.49Å; L159-F226 HydrophobicContact CD2-CE1 3.51Å; L159-F226 HydrophobicContact CD2-CE2 3.39Å; L159-F226 HydrophobicContact CD2-CG 3.59Å; L159-F226 HydrophobicContact CD2-CZ 3.41Å; L159-F226 VanDerWaalsContact CD2-CZ 3.41Å; L159-F226 HydrophobicContact CG-CE2 4.48Å; L159-F229 HydrophobicContact CD1-CB 4.09Å; L159-F229 HydrophobicContact CD1-CD1 3.31Å; L159-F229 HydrophobicContact CD1-CD2 3.48Å; L159-F229 VanDerWaalsContact CD1-CD2 3.48Å; L159-F229 HydrophobicContact CD1-CE1 3.44Å; L159-F229 VanDerWaalsContact CD1-CE1 3.44Å; L159-F229 HydrophobicContact CD1-CE2 3.6Å; L159-F229 HydrophobicContact CD1-CG 3.33Å; L159-F229 HydrophobicContact CD1-CZ 3.58Å; L159-Y230 HydrophobicContact CB-CE2 4.06Å; L159-Y230 WeakPolarHBondContact CB-OH 3.36Å
160S81.9Confident79.8Confident19 Ų1953.9 Ų53.913%0.13325%0.251CS..Hα-helixtrans-64.2-45.6178.5-177.30000112.7L156 F157 Y162 V163 R164 Y230L156-S160 WeakPolarHBondContact O-CB 3.29Å; L156-S160 PolarHBondContact O-N 3.16Å; F157-S160 PolarHBondContact O-N 3.3Å; S160-Y162 PolarHBondContact O-N 3.41Å; S160-V163 PolarHBondContact O-N 3.49Å; S160-R164 WeakPolarHBondContact O-CG 3.38Å; S160-R164 PolarHBondContact O-N 3.18Å; S160-Y230 PolarHBondContact N-OH 2.93Å
161D83.3Confident80.3Confident31 Ų3150 Ų5017%0.16624%0.237CC..Hα-helixtrans-61.3-38.8176-80.33.2000110.3F157 R164 S185F157-D161 WeakPolarHBondContact O-CB 3.45Å; F157-D161 PolarHBondContact O-N 3Å; D161-R164 PolarHBondContact O-N 2.84Å; D161-S185 VanDerWaalsContact OD2-CA 3.31Å; D161-S185 WeakPolarHBondContact OD2-CA 3.16Å; D161-S185 VanDerWaalsContact OD2-CB 3.25Å; D161-S185 WeakPolarHBondContact OD2-CB 3.5Å; D161-S185 PolarHBondContact OD2-OG 3.45Å
162Y84.4Confident80.6Confident26 Ų2646.7 Ų46.710%0.10222%0.224CC..Hα-helixtrans-68.1-44.6177.3175-84000112.3C145 C148 Y150 T152 S158 L159 S160 R164 Y165 H166 F226C145-Y162 HydrophobicContact CB-CE1 3.54Å; C145-Y162 WeakPolarHBondContact CB-OH 3.07Å; C145-Y162 VanDerWaalsContact SG-CE1 3.57Å; C145-Y162 PolarHBondContact SG-OH 3.13Å; C148-Y162 PolarHBondContact SG-OH 3.01Å; Y150-Y162 WeakPolarHBondContact CB-OH 3.39Å; Y150-Y162 AromaticContact CD1-CD2 3.59Å; Y150-Y162 HydrophobicContact CD1-CD2 3.59Å; Y150-Y162 AromaticContact CD1-CE2 3.23Å; Y150-Y162 HydrophobicContact CD1-CE2 3.23Å; Y150-Y162 HydrophobicContact CE1-CD2 4.02Å; Y150-Y162 HydrophobicContact CE1-CE2 4.07Å; Y150-Y162 HydrophobicContact CG-CD2 4.41Å; Y150-Y162 AromaticContact CG-CE2 3.64Å; Y150-Y162 HydrophobicContact CG-CE2 3.64Å; T152-Y162 HydrophobicContact CG2-CG 4.42Å; S158-Y162 WeakPolarHBondContact O-CB 3.4Å; S158-Y162 PolarHBondContact O-N 2.83Å; S158-Y162 VanDerWaalsContact O-N 3.1Å; L159-Y162 PolarHBondContact O-N 3.43Å; S160-Y162 PolarHBondContact O-N 3.41Å; Y162-R164 PolarHBondContact O-N 3.5Å; Y162-Y165 WeakPolarHBondContact O-CB 3.48Å; Y162-Y165 PolarHBondContact O-N 2.8Å; Y162-H166 AromaticContact CE1-CD2 3.68Å; Y162-H166 AromaticContact CE1-NE2 3.32Å; Y162-H166 VanDerWaalsContact CE1-NE2 3.32Å; Y162-H166 WeakPolarHBondContact CE1-NE2 3.49Å; Y162-H166 AromaticContact CZ-NE2 3.44Å; Y162-H166 PolarHBondContact OH-NE2 3.11Å; Y162-F226 AromaticContact CD1-CE2 3.48Å; Y162-F226 HydrophobicContact CD1-CE2 3.48Å; Y162-F226 VanDerWaalsContact CD1-CE2 3.48Å; Y162-F226 AromaticContact CD1-CZ 3.39Å; Y162-F226 HydrophobicContact CD1-CZ 3.39Å; Y162-F226 AromaticContact CE1-CE2 3.88Å; Y162-F226 HydrophobicContact CE1-CE2 3.88Å; Y162-F226 AromaticContact CE1-CZ 3.56Å; Y162-F226 HydrophobicContact CE1-CZ 3.56Å; Y162-F226 HydrophobicContact CG-CE2 4.45Å; Y162-F226 HydrophobicContact CG-CZ 4.2Å
163V87.4Confident81.2Confident0 Ų052 Ų520%024%0.242CC..Hα-helixtrans-60.9-32.5178.6173.70000111.3L159 S160 Y165 H166 V167 F218 T221 C222 C225 F226 Y230L159-V163 VanDerWaalsContact O-CG2 3.26Å; L159-V163 WeakPolarHBondContact O-CG2 3.26Å; L159-V163 PolarHBondContact O-N 2.81Å; S160-V163 PolarHBondContact O-N 3.49Å; V163-Y165 PolarHBondContact O-N 3.37Å; V163-Y165 VanDerWaalsContact O-N 3.16Å; V163-H166 WeakPolarHBondContact O-CB 3.4Å; V163-H166 PolarHBondContact O-N 2.86Å; V163-V167 PolarHBondContact O-N 3.4Å; V163-F218 HydrophobicContact CB-CE2 3.86Å; V163-F218 HydrophobicContact CB-CZ 4.44Å; V163-F218 HydrophobicContact CG1-CD2 3.85Å; V163-F218 HydrophobicContact CG1-CE2 3.61Å; V163-F218 HydrophobicContact CG1-CZ 4.35Å; V163-T221 HydrophobicContact CG1-CG2 3.9Å; V163-C222 HydrophobicContact CG1-CB 4.45Å; V163-C222 HydrophobicContact CG2-CB 4.5Å; V163-C225 HydrophobicContact CG2-CB 4.02Å; V163-F226 HydrophobicContact CG2-CD2 4.05Å; V163-F226 HydrophobicContact CG2-CE2 3.87Å; V163-Y230 HydrophobicContact CG2-CE2 4.31Å
164R88.7Confident81.8Confident0 Ų047.3 Ų47.30%023%0.225CC..Hα-helixtrans-61.3-20.6173.9-70175.6-172.3-106.91.7113.3S160 D161 Y162 H166 V167 A170 Y172 F184 D206 F218 Y242S160-R164 WeakPolarHBondContact O-CG 3.38Å; S160-R164 PolarHBondContact O-N 3.18Å; D161-R164 PolarHBondContact O-N 2.84Å; Y162-R164 PolarHBondContact O-N 3.5Å; R164-H166 VanDerWaalsContact C-N 3.31Å; R164-V167 CarbonylContact O-C 3.2Å; R164-V167 PolarHBondContact O-N 2.86Å; R164-A170 WeakPolarHBondContact CD-O 3.48Å; R164-A170 HydrophobicContact CG-CB 4.31Å; R164-A170 PolarHBondContact NH1-O 2.61Å; R164-Y172 VanDerWaalsContact CZ-CE1 3.42Å; R164-Y172 VanDerWaalsContact NE-CZ 3.27Å; R164-Y172 PolarHBondContact NE-OH 3.4Å; R164-Y172 VanDerWaalsContact NH2-CZ 3.32Å; R164-Y172 PolarHBondContact NH2-OH 3.17Å; R164-F184 HydrophobicContact CB-CB 4.04Å; R164-F184 HydrophobicContact CB-CD1 4.29Å; R164-F184 WeakPolarHBondContact O-CD1 3.48Å; R164-D206 IonicContact CZ-OD1 3.87Å; R164-D206 IonicContact CZ-OD2 3.78Å; R164-D206 IonicContact NH1-OD1 3.12Å; R164-D206 PolarHBondContact NH1-OD1 3.33Å; R164-D206 IonicContact NH1-OD2 2.92Å; R164-D206 IonicContact NH2-OD1 3.94Å; R164-D206 PolarHBondContact NH2-OD1 3.26Å; R164-D206 IonicContact NH2-OD2 3.53Å; R164-D206 PolarHBondContact NH2-OD2 3.43Å; R164-F218 HydrophobicContact CG-CD2 4.2Å; R164-F218 HydrophobicContact CG-CE2 3.69Å; R164-Y242 PolarHBondContact NH2-OH 3.11Å; R164-Y242 VanDerWaalsContact NH2-OH 3.15Å
165Y84.8Confident82.3Confident77 Ų7743.7 Ų43.730%0.30221%0.214SC..Hα-helixtrans-65.4-35.2170.9-173.7-101.2000112.3C2 Y162 V163 V167 F184C2-Y165 WeakPolarHBondContact CA-OH 3.43Å; C2-Y165 HydrophobicContact CB-CE2 4.05Å; C2-Y165 WeakPolarHBondContact CB-OH 3.48Å; Y162-Y165 WeakPolarHBondContact O-CB 3.48Å; Y162-Y165 PolarHBondContact O-N 2.8Å; V163-Y165 PolarHBondContact O-N 3.37Å; V163-Y165 VanDerWaalsContact O-N 3.16Å; Y165-V167 VanDerWaalsContact C-N 3.31Å; Y165-F184 AromaticContact CD2-CD2 3.82Å; Y165-F184 HydrophobicContact CD2-CD2 3.82Å; Y165-F184 AromaticContact CD2-CE2 3.63Å; Y165-F184 HydrophobicContact CD2-CE2 3.63Å; Y165-F184 HydrophobicContact CD2-CZ 4.42Å; Y165-F184 HydrophobicContact CE2-CE2 4.17Å
166H86.1Confident82.7Confident48 Ų4844.1 Ų44.122%0.22221%0.214CC..Hα-helixtrans-80.8-13.1175.9-64.8-66000113C145 Y162 V163 R164 T221 C225C145-H166 PolarHBondContact SG-NE2 2.87Å; Y162-H166 AromaticContact CE1-CD2 3.68Å; Y162-H166 AromaticContact CE1-NE2 3.32Å; Y162-H166 VanDerWaalsContact CE1-NE2 3.32Å; Y162-H166 WeakPolarHBondContact CE1-NE2 3.49Å; Y162-H166 AromaticContact CZ-NE2 3.44Å; Y162-H166 PolarHBondContact OH-NE2 3.11Å; V163-H166 WeakPolarHBondContact O-CB 3.4Å; V163-H166 PolarHBondContact O-N 2.86Å; R164-H166 VanDerWaalsContact C-N 3.31Å; H166-T221 HydrophobicContact CB-CG2 3.5Å; H166-T221 VanDerWaalsContact CB-CG2 3.5Å; H166-C225 PolarHBondContact CD2-SG 3.4Å
167V88.6Confident82.9Confident3 Ų350.8 Ų50.82%0.01824%0.24CC..  trans-127.375175.9-168.80000109.4V163 R164 Y165 K169 A170 L214 Q217 T221V163-V167 PolarHBondContact O-N 3.4Å; R164-V167 CarbonylContact O-C 3.2Å; R164-V167 PolarHBondContact O-N 2.86Å; Y165-V167 VanDerWaalsContact C-N 3.31Å; V167-K169 PolarHBondContact O-N 3.47Å; V167-A170 HydrophobicContact CB-CB 4.18Å; V167-A170 HydrophobicContact CG1-CB 3.95Å; V167-A170 WeakPolarHBondContact O-CA 3.49Å; V167-A170 VanDerWaalsContact O-CB 3.27Å; V167-A170 WeakPolarHBondContact O-CB 3.45Å; V167-A170 PolarHBondContact O-N 2.86Å; V167-L214 HydrophobicContact CG1-CD1 3.67Å; V167-Q217 HydrophobicContact CG1-CG 4.26Å; V167-Q217 HydrophobicContact CG2-CG 4.48Å; V167-T221 HydrophobicContact CG2-CG2 3.91Å; V167-T221 VanDerWaalsContact CG2-OG1 3.31Å; V167-T221 WeakPolarHBondContact CG2-OG1 3.36Å
168P81.9Confident83.2Confident84 Ų8447.5 Ų47.555%0.54525%0.247SC..G310 helixtrans-58.6-29.8-170.5-27.235.1000114.6A170 A171 F184P168-A170 PolarHBondContact O-N 3.29Å; P168-A171 VanDerWaalsContact O-CB 3.29Å; P168-A171 WeakPolarHBondContact O-CB 3.31Å; P168-A171 PolarHBondContact O-N 3.37Å; P168-F184 HydrophobicContact CB-CE1 4.13Å; P168-F184 HydrophobicContact CB-CZ 4.48Å
169K86.1Confident83.5Confident157 Ų15747.3 Ų47.368%0.68325%0.246SC*.G310 helixtrans-59.9-24174.2-71.5-176.8179.1-178.60113V167 A171 L214V167-K169 PolarHBondContact O-N 3.47Å; K169-A171 VanDerWaalsContact C-N 3.33Å; K169-L214 HydrophobicContact CB-CD1 3.54Å; K169-L214 HydrophobicContact CB-CD2 4.26Å
170A83Confident83.7Confident0 Ų055.3 Ų55.30%029%0.288CS..G310 helixtrans-87.28.9176.100000113.5R164 V167 P168 L208 L214R164-A170 WeakPolarHBondContact CD-O 3.48Å; R164-A170 HydrophobicContact CG-CB 4.31Å; R164-A170 PolarHBondContact NH1-O 2.61Å; V167-A170 HydrophobicContact CB-CB 4.18Å; V167-A170 HydrophobicContact CG1-CB 3.95Å; V167-A170 WeakPolarHBondContact O-CA 3.49Å; V167-A170 VanDerWaalsContact O-CB 3.27Å; V167-A170 WeakPolarHBondContact O-CB 3.45Å; V167-A170 PolarHBondContact O-N 2.86Å; P168-A170 PolarHBondContact O-N 3.29Å; A170-L208 HydrophobicContact CB-CD2 3.64Å; A170-L208 HydrophobicContact CB-CG 4.13Å; A170-L214 HydrophobicContact CB-CD1 4.38Å; A170-L214 HydrophobicContact CB-CD2 4.37Å; A170-L214 HydrophobicContact CB-CG 4.36Å
171A87.3Confident83.6Confident5 Ų558.7 Ų58.74%0.04130%0.303CS..  trans-60.1139.9173.900000111.6P168 K169 F184 P207P168-A171 VanDerWaalsContact O-CB 3.29Å; P168-A171 WeakPolarHBondContact O-CB 3.31Å; P168-A171 PolarHBondContact O-N 3.37Å; K169-A171 VanDerWaalsContact C-N 3.33Å; A171-F184 HydrophobicContact CB-CD1 3.62Å; A171-F184 HydrophobicContact CB-CE1 3.76Å; A171-P207 WeakPolarHBondContact O-CD 3.25Å; A171-P207 WeakPolarHBondContact O-CG 3.45Å
172Y84.1Confident83.6Confident12 Ų1260.5 Ų60.55%0.04732%0.317CS..EExtended strand (participates in β ladder)trans-63.1143173.2-62.4-75.8000110.1R164 S182 H183 F184 R186 Q205 D206R164-Y172 VanDerWaalsContact CZ-CE1 3.42Å; R164-Y172 VanDerWaalsContact NE-CZ 3.27Å; R164-Y172 PolarHBondContact NE-OH 3.4Å; R164-Y172 VanDerWaalsContact NH2-CZ 3.32Å; R164-Y172 PolarHBondContact NH2-OH 3.17Å; Y172-S182 CarbonylContact O-C 3.56Å; Y172-S182 WeakPolarHBondContact O-CA 3.45Å; Y172-S182 WeakPolarHBondContact O-CB 3.43Å; Y172-H183 WeakPolarHBondContact CB-O 3.4Å; Y172-H183 PolarHBondContact N-O 2.6Å; Y172-H183 PolarHBondContact O-N 3.06Å; Y172-F184 VanDerWaalsContact CD2-O 3.26Å; Y172-F184 WeakPolarHBondContact CD2-O 3.21Å; Y172-F184 VanDerWaalsContact CE2-O 3.24Å; Y172-F184 WeakPolarHBondContact CE2-O 3.22Å; Y172-R186 HydrophobicContact CD1-CB 4.48Å; Y172-R186 HydrophobicContact CD1-CG 4.1Å; Y172-R186 HydrophobicContact CD2-CB 3.87Å; Y172-R186 HydrophobicContact CD2-CG 4.34Å; Y172-R186 VanDerWaalsContact CD2-N 3.31Å; Y172-R186 HydrophobicContact CE1-CB 4.22Å; Y172-R186 HydrophobicContact CE1-CG 3.93Å; Y172-R186 HydrophobicContact CE2-CB 3.56Å; Y172-R186 HydrophobicContact CE2-CG 4.18Å; Y172-R186 HydrophobicContact CG-CB 4.31Å; Y172-R186 HydrophobicContact CG-CG 4.29Å; Y172-Q205 WeakPolarHBondContact CA-O 3.37Å; Y172-D206 HydrophobicContact CD1-CB 4.09Å; Y172-D206 HydrophobicContact CE1-CB 4.11Å; Y172-D206 VanDerWaalsContact CE1-OD2 3.29Å; Y172-D206 WeakPolarHBondContact CE1-OD2 3.26Å
173R85.2Confident83.5Confident127 Ų12760.7 Ų60.748%0.47932%0.319SS..EExtended strand (participates in β ladder)trans-116.5149.7-179.8-57.9179.7-174177.32.4110.9Q205 P207R173-Q205 HydrophobicContact CB-CB 4.12Å; R173-Q205 PolarHBondContact N-O 3.17Å; R173-Q205 PolarHBondContact O-N 3.07Å; R173-P207 HydrophobicContact CG-CG 4.29Å
174C83.4Confident83.3Confident3 Ų362.4 Ų62.42%0.0233%0.327CS..  trans-60.2142.2169.7-172.20000109.9E176 C179 M181 H197C174-E176 VanDerWaalsContact C-N 3.31Å; C174-E176 PolarHBondContact SG-N 3.32Å; C174-C179 HydrophobicContact CB-CB 3.93Å; C174-M181 HydrophobicContact CB-CB 4.17Å; C174-M181 PolarHBondContact N-O 3.05Å; C174-H197 PolarHBondContact SG-CD2 3.15Å; C174-H197 PolarHBondContact SG-NE2 2.74Å; C174-H197 VanDerWaalsContact SG-NE2 3.36Å
175A81.6Confident82.8Confident25 Ų2563.3 Ų63.321%0.20733%0.333CS..SBendtrans-80.2-12.1177.900000113.7M193 Q205A175-M193 HydrophobicContact CB-CE 3.73Å; A175-Q205 HydrophobicContact CB-CG 4.19Å
176E79.3Confident82.4Confident67 Ų6763 Ų6331%0.31333%0.331SS..SBendtrans-69.4134.7-179.6-167.855.7-104.800111.5C174 G178 C179 L200C174-E176 VanDerWaalsContact C-N 3.31Å; C174-E176 PolarHBondContact SG-N 3.32Å; E176-G178 PolarHBondContact O-N 3.18Å; E176-C179 HydrophobicContact CB-CB 3.77Å; E176-C179 HydrophobicContact CG-CB 4.4Å; E176-C179 PolarHBondContact O-N 3.48Å; E176-L200 HydrophobicContact CB-CD1 3.47Å; E176-L200 VanDerWaalsContact CB-CD1 3.47Å; E176-L200 HydrophobicContact CG-CD1 4.13Å; E176-L200 WeakPolarHBondContact OE2-CD1 3.32Å; E176-L200 WeakPolarHBondContact OE2-CG 3.5Å
177K77.3Confident81.8Confident199 Ų19965 Ų6587%0.86535%0.347SS*.THydrogen-bonded Turntrans-67.7122.7176.6-70-174179.2-178.40109
178G77.9Confident81Confident77 Ų7770.2 Ų70.279%0.79437%0.37SS*.THydrogen-bonded Turntrans89-4.1-179.300000115E176E176-G178 PolarHBondContact O-N 3.18Å
179C82.1Confident80.6Confident33 Ų3366.4 Ų66.422%0.22335%0.345CS..  trans-82121.6172.8-174.30000111.1C174 E176 M181 H192 H197C174-C179 HydrophobicContact CB-CB 3.93Å; E176-C179 HydrophobicContact CB-CB 3.77Å; E176-C179 HydrophobicContact CG-CB 4.4Å; E176-C179 PolarHBondContact O-N 3.48Å; C179-M181 VanDerWaalsContact C-N 3.26Å; C179-M181 PolarHBondContact O-N 3.44Å; C179-M181 VanDerWaalsContact SG-CB 3.6Å; C179-H192 PolarHBondContact SG-NE2 3.45Å; C179-H197 PolarHBondContact SG-NE2 3.27Å
180L83.3Confident79.8Confident168 Ų16862.4 Ų62.488%0.8833%0.326SS*.  trans-84.33.2-179.3-60.2178.2000113.6S182L180-S182 PolarHBondContact O-N 3.47Å
181M80.6Confident79.3Confident91 Ų9168 Ų6845%0.44835%0.35SS..  trans-69122.6-175.8-73.7-61.8-59.200111.8C174 C179 H192C174-M181 HydrophobicContact CB-CB 4.17Å; C174-M181 PolarHBondContact N-O 3.05Å; C179-M181 VanDerWaalsContact C-N 3.26Å; C179-M181 PolarHBondContact O-N 3.44Å; C179-M181 VanDerWaalsContact SG-CB 3.6Å; M181-H192 WeakPolarHBondContact CB-NE2 3.34Å; M181-H192 WeakPolarHBondContact CG-CE1 3.35Å; M181-H192 WeakPolarHBondContact CG-NE2 3.28Å
182S83Confident78.9Confident68 Ų6869 Ų6948%0.47635%0.354SS..EExtended strand (participates in β ladder)trans-134.3146.9171.865.10000110.9Y172 L180Y172-S182 CarbonylContact O-C 3.56Å; Y172-S182 WeakPolarHBondContact O-CA 3.45Å; Y172-S182 WeakPolarHBondContact O-CB 3.43Å; L180-S182 PolarHBondContact O-N 3.47Å
183H82.3Confident78.5Confident30 Ų3068.6 Ų68.614%0.13935%0.353CS..EExtended strand (participates in β ladder)trans-155.2146.6-179.7-165.6-91.4000111Q4 Y172 S185 F188 V189Q4-H183 PolarHBondContact OE1-NE2 2.87Å; Y172-H183 WeakPolarHBondContact CB-O 3.4Å; Y172-H183 PolarHBondContact N-O 2.6Å; Y172-H183 PolarHBondContact O-N 3.06Å; H183-S185 VanDerWaalsContact C-N 3.33Å; H183-S185 PolarHBondContact ND1-N 3.1Å; H183-S185 PolarHBondContact ND1-O 3.1Å; H183-S185 PolarHBondContact O-N 3.26Å; H183-F188 HydrophobicContact CB-CB 4.21Å; H183-F188 AromaticContact CE1-CD1 3.99Å; H183-F188 AromaticContact CE1-CD2 3.33Å; H183-F188 WeakPolarHBondContact CE1-CD2 3.08Å; H183-F188 AromaticContact CE1-CE2 3.88Å; H183-F188 AromaticContact CE1-CG 3.35Å; H183-F188 WeakPolarHBondContact CE1-CG 3.35Å; H183-F188 VanDerWaalsContact ND1-CB 3.28Å; H183-F188 WeakPolarHBondContact ND1-CB 3.17Å; H183-F188 AromaticContact ND1-CD2 3.81Å; H183-F188 AromaticContact ND1-CG 3.63Å; H183-F188 AromaticContact NE2-CD1 3.93Å; H183-F188 AromaticContact NE2-CG 3.75Å; H183-V189 HydrophobicContact CB-CG2 3.71Å
184F83.1Confident78Confident37 Ų3769 Ų6916%0.16236%0.358CS..SBendtrans-72.5-27.8-178.7-48.7-57.4000113.1R164 Y165 P168 A171 Y172R164-F184 HydrophobicContact CB-CB 4.04Å; R164-F184 HydrophobicContact CB-CD1 4.29Å; R164-F184 WeakPolarHBondContact O-CD1 3.48Å; Y165-F184 AromaticContact CD2-CD2 3.82Å; Y165-F184 HydrophobicContact CD2-CD2 3.82Å; Y165-F184 AromaticContact CD2-CE2 3.63Å; Y165-F184 HydrophobicContact CD2-CE2 3.63Å; Y165-F184 HydrophobicContact CD2-CZ 4.42Å; Y165-F184 HydrophobicContact CE2-CE2 4.17Å; P168-F184 HydrophobicContact CB-CE1 4.13Å; P168-F184 HydrophobicContact CB-CZ 4.48Å; A171-F184 HydrophobicContact CB-CD1 3.62Å; A171-F184 HydrophobicContact CB-CE1 3.76Å; Y172-F184 VanDerWaalsContact CD2-O 3.26Å; Y172-F184 WeakPolarHBondContact CD2-O 3.21Å; Y172-F184 VanDerWaalsContact CE2-O 3.24Å; Y172-F184 WeakPolarHBondContact CE2-O 3.22Å
185S77.7Confident77.8Confident18 Ų1874.2 Ų74.213%0.12638%0.382CS..SBendtrans-92126.6172.8-177.70000112.4D161 H183 T187 F188D161-S185 VanDerWaalsContact OD2-CA 3.31Å; D161-S185 WeakPolarHBondContact OD2-CA 3.16Å; D161-S185 VanDerWaalsContact OD2-CB 3.25Å; D161-S185 WeakPolarHBondContact OD2-CB 3.5Å; D161-S185 PolarHBondContact OD2-OG 3.45Å; H183-S185 VanDerWaalsContact C-N 3.33Å; H183-S185 PolarHBondContact ND1-N 3.1Å; H183-S185 PolarHBondContact ND1-O 3.1Å; H183-S185 PolarHBondContact O-N 3.26Å; S185-T187 PolarHBondContact O-N 2.95Å; S185-T187 PolarHBondContact OG-N 3.49Å; S185-T187 PolarHBondContact OG-OG1 2.92Å; S185-F188 PolarHBondContact O-N 3.23Å
186R77Confident77.6Confident70 Ų7076.3 Ų76.326%0.26440%0.395SS..Hα-helixtrans-58.9-36.8178-156.9-175.4176.9108-0.2112.3Y172 F188 V189 Y190Y172-R186 HydrophobicContact CD1-CB 4.48Å; Y172-R186 HydrophobicContact CD1-CG 4.1Å; Y172-R186 HydrophobicContact CD2-CB 3.87Å; Y172-R186 HydrophobicContact CD2-CG 4.34Å; Y172-R186 VanDerWaalsContact CD2-N 3.31Å; Y172-R186 HydrophobicContact CE1-CB 4.22Å; Y172-R186 HydrophobicContact CE1-CG 3.93Å; Y172-R186 HydrophobicContact CE2-CB 3.56Å; Y172-R186 HydrophobicContact CE2-CG 4.18Å; Y172-R186 HydrophobicContact CG-CB 4.31Å; Y172-R186 HydrophobicContact CG-CG 4.29Å; R186-F188 VanDerWaalsContact C-N 3.32Å; R186-F188 PolarHBondContact O-N 3.23Å; R186-V189 PolarHBondContact O-N 3.4Å; R186-Y190 HydrophobicContact CG-CD2 3.96Å; R186-Y190 HydrophobicContact CG-CE2 3.53Å; R186-Y190 VanDerWaalsContact NE-CE2 3.34Å; R186-Y190 PolarHBondContact NE-OH 2.87Å; R186-Y190 VanDerWaalsContact NE-OH 3.12Å; R186-Y190 PolarHBondContact NH2-OH 3.19Å; R186-Y190 VanDerWaalsContact NH2-OH 3.1Å; R186-Y190 WeakPolarHBondContact O-CD2 3.46Å; R186-Y190 PolarHBondContact O-N 3.33Å
187T72Confident77.6Confident91 Ų9174.7 Ų74.756%0.55839%0.388SS*.Hα-helixtrans-63.1-36.8-177.960.40000112.7S185 Y190 K191S185-T187 PolarHBondContact O-N 2.95Å; S185-T187 PolarHBondContact OG-N 3.49Å; S185-T187 PolarHBondContact OG-OG1 2.92Å; T187-Y190 PolarHBondContact O-N 3.16Å; T187-K191 WeakPolarHBondContact O-CB 2.97Å; T187-K191 PolarHBondContact O-N 2.98Å
188F72.8Confident76.9Confident112 Ų11272.1 Ų72.149%0.49138%0.378SS..Hα-helixtrans-70-40.6177.2-83.8-96.3000112H183 S185 R186 Y190 K191 H192H183-F188 HydrophobicContact CB-CB 4.21Å; H183-F188 AromaticContact CE1-CD1 3.99Å; H183-F188 AromaticContact CE1-CD2 3.33Å; H183-F188 WeakPolarHBondContact CE1-CD2 3.08Å; H183-F188 AromaticContact CE1-CE2 3.88Å; H183-F188 AromaticContact CE1-CG 3.35Å; H183-F188 WeakPolarHBondContact CE1-CG 3.35Å; H183-F188 VanDerWaalsContact ND1-CB 3.28Å; H183-F188 WeakPolarHBondContact ND1-CB 3.17Å; H183-F188 AromaticContact ND1-CD2 3.81Å; H183-F188 AromaticContact ND1-CG 3.63Å; H183-F188 AromaticContact NE2-CD1 3.93Å; H183-F188 AromaticContact NE2-CG 3.75Å; S185-F188 PolarHBondContact O-N 3.23Å; R186-F188 VanDerWaalsContact C-N 3.32Å; R186-F188 PolarHBondContact O-N 3.23Å; F188-Y190 VanDerWaalsContact C-N 3.35Å; F188-K191 PolarHBondContact O-N 3.33Å; F188-H192 WeakPolarHBondContact O-CB 3.48Å; F188-H192 PolarHBondContact O-N 2.82Å
189V72.6Confident75.9Confident4 Ų477.2 Ų77.22%0.02438%0.381CS..Hα-helixtrans-63.9-43.1175.4-176.50000110.5H183 R186 K191 H192 M193 A204H183-V189 HydrophobicContact CB-CG2 3.71Å; R186-V189 PolarHBondContact O-N 3.4Å; V189-K191 VanDerWaalsContact C-N 3.32Å; V189-K191 PolarHBondContact O-N 3.47Å; V189-H192 PolarHBondContact O-N 2.88Å; V189-M193 HydrophobicContact CG1-CG 4.3Å; V189-M193 HydrophobicContact CG1-SD 3.92Å; V189-M193 WeakPolarHBondContact O-CB 3.26Å; V189-M193 VanDerWaalsContact O-CG 3.22Å; V189-M193 WeakPolarHBondContact O-CG 3.44Å; V189-M193 PolarHBondContact O-N 2.88Å; V189-A204 HydrophobicContact CB-CB 4.05Å; V189-A204 HydrophobicContact CG1-CB 3.64Å
190Y71.2Confident74.7Confident73 Ų7377.5 Ų77.529%0.28638%0.381SS..Hα-helixtrans-58.8-43.6173.4-79.1-58.7000112.7R186 T187 F188 M193 K194R186-Y190 HydrophobicContact CG-CD2 3.96Å; R186-Y190 HydrophobicContact CG-CE2 3.53Å; R186-Y190 VanDerWaalsContact NE-CE2 3.34Å; R186-Y190 PolarHBondContact NE-OH 2.87Å; R186-Y190 VanDerWaalsContact NE-OH 3.12Å; R186-Y190 PolarHBondContact NH2-OH 3.19Å; R186-Y190 VanDerWaalsContact NH2-OH 3.1Å; R186-Y190 WeakPolarHBondContact O-CD2 3.46Å; R186-Y190 PolarHBondContact O-N 3.33Å; T187-Y190 PolarHBondContact O-N 3.16Å; F188-Y190 VanDerWaalsContact C-N 3.35Å; Y190-M193 PolarHBondContact O-N 3.15Å; Y190-K194 WeakPolarHBondContact O-CB 3.33Å; Y190-K194 PolarHBondContact O-N 3.04Å
191K71.9Confident73.2Confident117 Ų11771 Ų7151%0.50934%0.344SS..Hα-helixtrans-62.2-47.6177.1-174.3-179.7174-1750111.5T187 F188 V189 M193 K194 E195T187-K191 WeakPolarHBondContact O-CB 2.97Å; T187-K191 PolarHBondContact O-N 2.98Å; F188-K191 PolarHBondContact O-N 3.33Å; V189-K191 VanDerWaalsContact C-N 3.32Å; V189-K191 PolarHBondContact O-N 3.47Å; K191-M193 VanDerWaalsContact C-N 3.34Å; K191-M193 PolarHBondContact O-N 3.18Å; K191-K194 WeakPolarHBondContact O-CB 3.27Å; K191-K194 PolarHBondContact O-N 3.33Å; K191-E195 VanDerWaalsContact CE-CD 3.42Å; K191-E195 WeakPolarHBondContact CE-OE1 3.24Å; K191-E195 WeakPolarHBondContact CE-OE2 3.29Å; K191-E195 HydrophobicContact CG-CG 4.42Å; K191-E195 IonicContact NZ-OE1 2.83Å; K191-E195 WeakPolarHBondContact O-CB 3.12Å; K191-E195 WeakPolarHBondContact O-CG 3.37Å; K191-E195 PolarHBondContact O-N 3.4Å
192H78Confident71.9Confident26 Ų2668 Ų6812%0.1234%0.336CS..Hα-helixtrans-57.9-45.7174.2159.863.3000111.6C179 M181 F188 V189 K194 E195 S196 H197C179-H192 PolarHBondContact SG-NE2 3.45Å; M181-H192 WeakPolarHBondContact CB-NE2 3.34Å; M181-H192 WeakPolarHBondContact CG-CE1 3.35Å; M181-H192 WeakPolarHBondContact CG-NE2 3.28Å; F188-H192 WeakPolarHBondContact O-CB 3.48Å; F188-H192 PolarHBondContact O-N 2.82Å; V189-H192 PolarHBondContact O-N 2.88Å; H192-K194 VanDerWaalsContact C-N 3.28Å; H192-K194 PolarHBondContact O-N 2.96Å; H192-E195 PolarHBondContact O-N 3.49Å; H192-S196 VanDerWaalsContact CE1-CB 3.41Å; H192-S196 WeakPolarHBondContact CE1-CB 3.47Å; H192-S196 PolarHBondContact CE1-OG 3.39Å; H192-S196 PolarHBondContact ND1-OG 3.45Å; H192-S196 VanDerWaalsContact ND1-OG 3.09Å; H192-S196 WeakPolarHBondContact O-CB 3.31Å; H192-S196 PolarHBondContact O-N 3.44Å; H192-S196 PolarHBondContact O-OG 2.94Å; H192-H197 AromaticContact CE1-CD2 3.91Å; H192-H197 AromaticContact CE1-NE2 3.48Å; H192-H197 PolarHBondContact CE1-NE2 3.3Å; H192-H197 AromaticContact NE2-CD2 3.49Å; H192-H197 PolarHBondContact NE2-CD2 2.85Å; H192-H197 AromaticContact NE2-NE2 3.14Å; H192-H197 PolarHBondContact NE2-NE2 3.14Å; H192-H197 VanDerWaalsContact NE2-NE2 3.14Å
193M76.9Confident71Confident4 Ų469.6 Ų69.62%0.0234%0.336CS..Hα-helixtrans-59.8-40.6176.7-70.5171.571.400111.6A175 V189 Y190 K191 H197 L200 G202 A204A175-M193 HydrophobicContact CB-CE 3.73Å; V189-M193 HydrophobicContact CG1-CG 4.3Å; V189-M193 HydrophobicContact CG1-SD 3.92Å; V189-M193 WeakPolarHBondContact O-CB 3.26Å; V189-M193 VanDerWaalsContact O-CG 3.22Å; V189-M193 WeakPolarHBondContact O-CG 3.44Å; V189-M193 PolarHBondContact O-N 2.88Å; Y190-M193 PolarHBondContact O-N 3.15Å; K191-M193 VanDerWaalsContact C-N 3.34Å; K191-M193 PolarHBondContact O-N 3.18Å; M193-H197 CarbonylContact O-C 3.49Å; M193-H197 VanDerWaalsContact O-CA 3.27Å; M193-H197 WeakPolarHBondContact O-CA 3.39Å; M193-H197 VanDerWaalsContact O-CB 3.32Å; M193-H197 WeakPolarHBondContact O-CB 2.98Å; M193-H197 PolarHBondContact O-N 3.14Å; M193-L200 HydrophobicContact CE-CB 4.36Å; M193-L200 HydrophobicContact CE-CD1 4.3Å; M193-G202 WeakPolarHBondContact CE-O 3.32Å; M193-A204 HydrophobicContact SD-CB 4.36Å
194K74.1Confident70.6Confident136 Ų13668.4 Ų68.459%0.59133%0.332SS*.Hα-helixtrans-67.1-38.8177.6-174.1175.4179176.80113Y190 K191 H192Y190-K194 WeakPolarHBondContact O-CB 3.33Å; Y190-K194 PolarHBondContact O-N 3.04Å; K191-K194 WeakPolarHBondContact O-CB 3.27Å; K191-K194 PolarHBondContact O-N 3.33Å; H192-K194 VanDerWaalsContact C-N 3.28Å; H192-K194 PolarHBondContact O-N 2.96Å
195E78.5Confident70.4Confident113 Ų11371.5 Ų71.553%0.52835%0.347SS..Hα-helixtrans-87.5-37.5-173.9-70.6176.5168.300113.5K191 H192 H198K191-E195 VanDerWaalsContact CE-CD 3.42Å; K191-E195 WeakPolarHBondContact CE-OE1 3.24Å; K191-E195 WeakPolarHBondContact CE-OE2 3.29Å; K191-E195 HydrophobicContact CG-CG 4.42Å; K191-E195 IonicContact NZ-OE1 2.83Å; K191-E195 WeakPolarHBondContact O-CB 3.12Å; K191-E195 WeakPolarHBondContact O-CG 3.37Å; K191-E195 PolarHBondContact O-N 3.4Å; H192-E195 PolarHBondContact O-N 3.49Å; E195-H198 PolarHBondContact O-NE2 2.85Å
196S78.4Confident70.6Confident68 Ų6871 Ų7148%0.47634%0.342SS..Hα-helixtrans-99.3-28.4-176.6-54.10000112.7H192H192-S196 VanDerWaalsContact CE1-CB 3.41Å; H192-S196 WeakPolarHBondContact CE1-CB 3.47Å; H192-S196 PolarHBondContact CE1-OG 3.39Å; H192-S196 PolarHBondContact ND1-OG 3.45Å; H192-S196 VanDerWaalsContact ND1-OG 3.09Å; H192-S196 WeakPolarHBondContact O-CB 3.31Å; H192-S196 PolarHBondContact O-N 3.44Å; H192-S196 PolarHBondContact O-OG 2.94Å
197H78.7Confident70.8Confident34 Ų3468.3 Ų68.316%0.15733%0.334CS..  trans-116.174.9-178-53.7-61.3000109.7C174 C179 H192 M193 Q199 L200 K304C174-H197 PolarHBondContact SG-CD2 3.15Å; C174-H197 PolarHBondContact SG-NE2 2.74Å; C174-H197 VanDerWaalsContact SG-NE2 3.36Å; C179-H197 PolarHBondContact SG-NE2 3.27Å; H192-H197 AromaticContact CE1-CD2 3.91Å; H192-H197 AromaticContact CE1-NE2 3.48Å; H192-H197 PolarHBondContact CE1-NE2 3.3Å; H192-H197 AromaticContact NE2-CD2 3.49Å; H192-H197 PolarHBondContact NE2-CD2 2.85Å; H192-H197 AromaticContact NE2-NE2 3.14Å; H192-H197 PolarHBondContact NE2-NE2 3.14Å; H192-H197 VanDerWaalsContact NE2-NE2 3.14Å; M193-H197 CarbonylContact O-C 3.49Å; M193-H197 VanDerWaalsContact O-CA 3.27Å; M193-H197 WeakPolarHBondContact O-CA 3.39Å; M193-H197 VanDerWaalsContact O-CB 3.32Å; M193-H197 WeakPolarHBondContact O-CB 2.98Å; M193-H197 PolarHBondContact O-N 3.14Å; H197-Q199 PolarHBondContact O-N 3.04Å; H197-L200 HydrophobicContact CB-CB 3.98Å; H197-L200 HydrophobicContact CB-CD1 3.78Å; H197-L200 HydrophobicContact CB-CG 4.08Å; H197-L200 PolarHBondContact O-N 2.8Å; H197-K304 PolarHBondContact O-NZ 2.87Å
198H63.5Low71.3Confident144 Ų14464 Ų6467%0.66731%0.308SS*.THydrogen-bonded Turntrans-53.7-11.4179.3-68.4-102.6000114.2E195 K304E195-H198 PolarHBondContact O-NE2 2.85Å; H198-K304 WeakPolarHBondContact O-CD 3.37Å; H198-K304 WeakPolarHBondContact O-CE 3.23Å; H198-K304 PolarHBondContact O-NZ 2.79Å
199Q56.2Low71.4Confident184 Ų18461.6 Ų61.686%0.8630%0.3SS*.THydrogen-bonded Turntrans-110.3-19.2178.5-65.1178.29.900114.8H197 R201H197-Q199 PolarHBondContact O-N 3.04Å; Q199-R201 PolarHBondContact O-N 2.8Å
200L56.1Low71.6Confident40 Ų4068.6 Ų68.621%0.20934%0.337CS..  trans-78.6128.9176.1-75.1175000110.8E176 M193 H197 K304E176-L200 HydrophobicContact CB-CD1 3.47Å; E176-L200 VanDerWaalsContact CB-CD1 3.47Å; E176-L200 HydrophobicContact CG-CD1 4.13Å; E176-L200 WeakPolarHBondContact OE2-CD1 3.32Å; E176-L200 WeakPolarHBondContact OE2-CG 3.5Å; M193-L200 HydrophobicContact CE-CB 4.36Å; M193-L200 HydrophobicContact CE-CD1 4.3Å; H197-L200 HydrophobicContact CB-CB 3.98Å; H197-L200 HydrophobicContact CB-CD1 3.78Å; H197-L200 HydrophobicContact CB-CG 4.08Å; H197-L200 PolarHBondContact O-N 2.8Å; L200-K304 PolarHBondContact O-NZ 3.34Å
201R51.5Low72.1Confident31 Ų3168.4 Ų68.412%0.11734%0.341CS..  trans-119.346159.7-62.5152.9134.7-150.5-35.5107.7Q199 D302 E303 K304Q199-R201 PolarHBondContact O-N 2.8Å; R201-D302 HydrophobicContact CB-CB 4.38Å; R201-D302 VanDerWaalsContact CB-OD1 3.27Å; R201-D302 WeakPolarHBondContact CB-OD1 3.46Å; R201-D302 VanDerWaalsContact CD-C 3.5Å; R201-D302 WeakPolarHBondContact CD-OD1 3.32Å; R201-D302 IonicContact CZ-OD2 3.74Å; R201-D302 IonicContact NE-OD2 3.58Å; R201-D302 IonicContact NH1-OD2 3.49Å; R201-D302 PolarHBondContact NH1-OD2 3.33Å; R201-D302 PolarHBondContact NH2-O 3.18Å; R201-E303 HydrophobicContact CG-CB 4.13Å; R201-E303 VanDerWaalsContact CG-N 3.29Å; R201-E303 VanDerWaalsContact NH2-N 3.2Å; R201-E303 PolarHBondContact NH2-O 2.85Å; R201-E303 VanDerWaalsContact NH2-O 3.13Å; R201-K304 HydrophobicContact CG-CB 4.48Å; R201-K304 HydrophobicContact CG-CD 3.92Å; R201-K304 HydrophobicContact CG-CG 3.92Å
202G55.3Low72.7Confident27 Ų2772.3 Ų72.328%0.27835%0.353SS..PPolyproline II helixtrans-90.7158-176.700000112.7M193M193-G202 WeakPolarHBondContact CE-O 3.32Å
203Q63Low73.1Confident103 Ų10377.3 Ų77.348%0.48138%0.38SS..PPolyproline II helixtrans-71.8138.6163.8-61.7-176.110.900109.2Q205Q203-Q205 PolarHBondContact O-N 3.29Å
204A73.5Confident73.6Confident5 Ų577.5 Ų77.54%0.04138%0.382CS..PPolyproline II helixtrans-52137.4168.500000110.1V189 M193 D206V189-A204 HydrophobicContact CB-CB 4.05Å; V189-A204 HydrophobicContact CG1-CB 3.64Å; M193-A204 HydrophobicContact SD-CB 4.36Å; A204-D206 PolarHBondContact O-N 3.24Å
205Q78.7Confident74.2Confident101 Ų10171.5 Ų71.547%0.47236%0.356SS..BIsolated β-bridgetrans-68.7129.1174.2-72.6178.610.100108.7Y172 R173 A175 Q203Y172-Q205 WeakPolarHBondContact CA-O 3.37Å; R173-Q205 HydrophobicContact CB-CB 4.12Å; R173-Q205 PolarHBondContact N-O 3.17Å; R173-Q205 PolarHBondContact O-N 3.07Å; A175-Q205 HydrophobicContact CB-CG 4.19Å; Q203-Q205 PolarHBondContact O-N 3.29Å
206D82.4Confident74.7Confident7 Ų769.1 Ų69.14%0.03735%0.345CS..  trans-111.9107.5179.1-170.6-15.3000108.9R164 Y172 A204 L208 N209 Y242R164-D206 IonicContact CZ-OD1 3.87Å; R164-D206 IonicContact CZ-OD2 3.78Å; R164-D206 IonicContact NH1-OD1 3.12Å; R164-D206 PolarHBondContact NH1-OD1 3.33Å; R164-D206 IonicContact NH1-OD2 2.92Å; R164-D206 IonicContact NH2-OD1 3.94Å; R164-D206 PolarHBondContact NH2-OD1 3.26Å; R164-D206 IonicContact NH2-OD2 3.53Å; R164-D206 PolarHBondContact NH2-OD2 3.43Å; Y172-D206 HydrophobicContact CD1-CB 4.09Å; Y172-D206 HydrophobicContact CE1-CB 4.11Å; Y172-D206 VanDerWaalsContact CE1-OD2 3.29Å; Y172-D206 WeakPolarHBondContact CE1-OD2 3.26Å; A204-D206 PolarHBondContact O-N 3.24Å; D206-L208 PolarHBondContact O-N 2.73Å; D206-L208 WeakPolarHBondContact OD1-CB 3.13Å; D206-L208 WeakPolarHBondContact OD1-CG 3.17Å; D206-L208 PolarHBondContact OD1-N 3.13Å; D206-N209 WeakPolarHBondContact O-CB 3.42Å; D206-N209 PolarHBondContact O-N 2.78Å; D206-Y242 PolarHBondContact OD2-OH 3.1Å; D206-Y242 VanDerWaalsContact OD2-OH 3.11Å
207P82Confident75.3Confident14 Ų1470.8 Ų70.89%0.09135%0.345CS..G310 helixtrans-57.5-20.5-177.4-26.635.5000114.4A171 R173 N209 D210 D211 L214A171-P207 WeakPolarHBondContact O-CD 3.25Å; A171-P207 WeakPolarHBondContact O-CG 3.45Å; R173-P207 HydrophobicContact CG-CG 4.29Å; P207-N209 PolarHBondContact O-N 3.28Å; P207-D210 PolarHBondContact O-N 3.43Å; P207-D211 PolarHBondContact O-N 3.23Å; P207-L214 HydrophobicContact CB-CD2 3.8Å
208L81.1Confident75.9Confident2 Ų269.2 Ų69.21%0.0134%0.338CS..G310 helixtrans-68.9-15.6177-60-174.4000113.6A170 D206 L214 F218 Y242A170-L208 HydrophobicContact CB-CD2 3.64Å; A170-L208 HydrophobicContact CB-CG 4.13Å; D206-L208 PolarHBondContact O-N 2.73Å; D206-L208 WeakPolarHBondContact OD1-CB 3.13Å; D206-L208 WeakPolarHBondContact OD1-CG 3.17Å; D206-L208 PolarHBondContact OD1-N 3.13Å; L208-L214 HydrophobicContact CD2-CB 4.49Å; L208-L214 HydrophobicContact CD2-CD2 4.1Å; L208-L214 HydrophobicContact CD2-CG 3.78Å; L208-F218 HydrophobicContact CD1-CB 4.17Å; L208-F218 HydrophobicContact CD1-CD1 3.56Å; L208-F218 HydrophobicContact CD1-CD2 4.05Å; L208-F218 HydrophobicContact CD1-CE1 3.93Å; L208-F218 HydrophobicContact CD1-CE2 4.39Å; L208-F218 HydrophobicContact CD1-CG 3.63Å; L208-F218 HydrophobicContact CD1-CZ 4.33Å; L208-F218 HydrophobicContact CD2-CB 3.84Å; L208-F218 HydrophobicContact CD2-CG 4.21Å; L208-Y242 HydrophobicContact CB-CD1 3.82Å; L208-Y242 HydrophobicContact CB-CE1 3.48Å; L208-Y242 VanDerWaalsContact CB-CE1 3.48Å; L208-Y242 HydrophobicContact CB-CE2 4.36Å; L208-Y242 HydrophobicContact CB-CG 4.42Å; L208-Y242 HydrophobicContact CD1-CE1 4.46Å; L208-Y242 HydrophobicContact CD1-CE2 4.24Å; L208-Y242 WeakPolarHBondContact O-CD1 3.35Å
209N76.5Confident77.1Confident61 Ų6162.6 Ų62.633%0.32631%0.307SS..G310 helixtrans-72.6-31.5175.4-73.1-36.6000112.8D206 P207 Y242D206-N209 WeakPolarHBondContact O-CB 3.42Å; D206-N209 PolarHBondContact O-N 2.78Å; P207-N209 PolarHBondContact O-N 3.28Å; N209-Y242 WeakPolarHBondContact OD1-CD1 3.44Å; N209-Y242 WeakPolarHBondContact OD1-CE1 3.46Å
210D75.6Confident78.7Confident150 Ų15056.9 Ų56.980%0.80229%0.288SS*.THydrogen-bonded Turntrans-104.6-28.4-167.8-55.9-41.1000112.6P207P207-D210 PolarHBondContact O-N 3.43Å
211D82.3Confident80.3Confident70 Ų7055.9 Ų55.937%0.37428%0.283SS..  trans-112.7106.6-175.5-174.4-13.7000112.2P207 N213 L214 L215P207-D211 PolarHBondContact O-N 3.23Å; D211-N213 VanDerWaalsContact C-N 3.35Å; D211-N213 PolarHBondContact O-N 3.3Å; D211-N213 WeakPolarHBondContact OD1-CB 3.3Å; D211-N213 PolarHBondContact OD1-N 2.88Å; D211-L214 HydrophobicContact CB-CB 3.71Å; D211-L214 HydrophobicContact CB-CD2 4.41Å; D211-L214 VanDerWaalsContact CG-CB 3.44Å; D211-L214 PolarHBondContact O-N 3.47Å; D211-L214 PolarHBondContact OD1-N 3.41Å; D211-L215 PolarHBondContact O-N 3.08Å
212R84.4Confident82.1Confident198 Ų19854.4 Ų54.475%0.74728%0.277SS*.Hα-helixtrans-65.8-34.5179.3-168.8179.6-176170.41.6112.8L215 E216R212-L215 WeakPolarHBondContact O-CB 3.4Å; R212-L215 PolarHBondContact O-N 3.49Å; R212-E216 PolarHBondContact O-N 2.9Å
213N86.7Confident83.8Confident131 Ų13158.6 Ų58.670%0.70129%0.286SS*.Hα-helixtrans-71.1-40.5179.1-68.6-31.2000110.2D211 L215 E216 Q217D211-N213 VanDerWaalsContact C-N 3.35Å; D211-N213 PolarHBondContact O-N 3.3Å; D211-N213 WeakPolarHBondContact OD1-CB 3.3Å; D211-N213 PolarHBondContact OD1-N 2.88Å; N213-L215 VanDerWaalsContact C-N 3.31Å; N213-L215 PolarHBondContact O-N 2.69Å; N213-E216 PolarHBondContact O-N 2.8Å; N213-Q217 WeakPolarHBondContact O-CB 3.12Å; N213-Q217 PolarHBondContact O-N 2.89Å
214L88.2Confident85Confident9 Ų957.4 Ų57.45%0.04728%0.283CS..Hα-helixtrans-64.5-37174-173.864.9000112V167 K169 A170 P207 L208 D211 Q217 F218V167-L214 HydrophobicContact CG1-CD1 3.67Å; K169-L214 HydrophobicContact CB-CD1 3.54Å; K169-L214 HydrophobicContact CB-CD2 4.26Å; A170-L214 HydrophobicContact CB-CD1 4.38Å; A170-L214 HydrophobicContact CB-CD2 4.37Å; A170-L214 HydrophobicContact CB-CG 4.36Å; P207-L214 HydrophobicContact CB-CD2 3.8Å; L208-L214 HydrophobicContact CD2-CB 4.49Å; L208-L214 HydrophobicContact CD2-CD2 4.1Å; L208-L214 HydrophobicContact CD2-CG 3.78Å; D211-L214 HydrophobicContact CB-CB 3.71Å; D211-L214 HydrophobicContact CB-CD2 4.41Å; D211-L214 VanDerWaalsContact CG-CB 3.44Å; D211-L214 PolarHBondContact O-N 3.47Å; D211-L214 PolarHBondContact OD1-N 3.41Å; L214-Q217 PolarHBondContact O-N 3.16Å; L214-F218 WeakPolarHBondContact O-CB 3.45Å; L214-F218 PolarHBondContact O-N 2.79Å
215L86.4Confident85.7Confident9 Ų957.2 Ų57.25%0.04728%0.281CS..Hα-helixtrans-60.5-49.5172.3176.264.3000111.9D211 R212 N213 Q217 F218 L219 Y242D211-L215 PolarHBondContact O-N 3.08Å; R212-L215 WeakPolarHBondContact O-CB 3.4Å; R212-L215 PolarHBondContact O-N 3.49Å; N213-L215 VanDerWaalsContact C-N 3.31Å; N213-L215 PolarHBondContact O-N 2.69Å; L215-Q217 VanDerWaalsContact C-N 3.32Å; L215-Q217 PolarHBondContact O-N 3.42Å; L215-F218 WeakPolarHBondContact O-CB 3.36Å; L215-F218 PolarHBondContact O-N 2.78Å; L215-L219 HydrophobicContact CD1-CD1 4.17Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 4.03Å; L215-L219 HydrophobicContact CG-CG 4.4Å; L215-L219 VanDerWaalsContact O-CG 3.27Å; L215-L219 WeakPolarHBondContact O-CG 2.86Å; L215-L219 PolarHBondContact O-N 3.18Å; L215-Y242 HydrophobicContact CD1-CD2 3.38Å; L215-Y242 HydrophobicContact CD1-CE2 4Å; L215-Y242 HydrophobicContact CD1-CG 3.8Å; L215-Y242 HydrophobicContact CD2-CD2 4.5Å; L215-Y242 HydrophobicContact CD2-CG 4.31Å
216E88.2Confident86.1Confident64 Ų6452.4 Ų52.430%0.29926%0.259SS..Hα-helixtrans-63.5-38.6178.1-70.1-60150.400111.8R212 N213 F218 L219 S220 R239R212-E216 PolarHBondContact O-N 2.9Å; N213-E216 PolarHBondContact O-N 2.8Å; E216-F218 PolarHBondContact O-N 3.01Å; E216-L219 PolarHBondContact O-N 3.22Å; E216-S220 WeakPolarHBondContact O-CB 3.37Å; E216-S220 PolarHBondContact O-N 3.34Å; E216-R239 IonicContact OE1-CZ 3.96Å; E216-R239 IonicContact OE1-NE 3.59Å; E216-R239 PolarHBondContact OE1-NE 3.39Å; E216-R239 IonicContact OE1-NH2 2.92Å; E216-R239 PolarHBondContact OE1-NH2 2.88Å; E216-R239 IonicContact OE2-CZ 2.97Å; E216-R239 IonicContact OE2-NE 3.73Å; E216-R239 IonicContact OE2-NH2 2.65Å; E216-R239 PolarHBondContact OE2-NH2 2.71Å
217Q90.5Very high86.2Confident103 Ų10355 Ų5548%0.48128%0.275SS..Hα-helixtrans-60.8-44172.5-171.9177.828.400111.7V167 N213 L214 L215 T221V167-Q217 HydrophobicContact CG1-CG 4.26Å; V167-Q217 HydrophobicContact CG2-CG 4.48Å; N213-Q217 WeakPolarHBondContact O-CB 3.12Å; N213-Q217 PolarHBondContact O-N 2.89Å; L214-Q217 PolarHBondContact O-N 3.16Å; L215-Q217 VanDerWaalsContact C-N 3.32Å; L215-Q217 PolarHBondContact O-N 3.42Å; Q217-T221 WeakPolarHBondContact O-CB 3.34Å; Q217-T221 PolarHBondContact O-N 3.28Å; Q217-T221 PolarHBondContact O-OG1 2.86Å
218F91Very high86.2Confident1 Ų158 Ų580%0.00430%0.297CS..Hα-helixtrans-63.6-43.9176.5174.2-98.2000112.2V163 R164 L208 L214 L215 E216 T221 C222 I238V163-F218 HydrophobicContact CB-CE2 3.86Å; V163-F218 HydrophobicContact CB-CZ 4.44Å; V163-F218 HydrophobicContact CG1-CD2 3.85Å; V163-F218 HydrophobicContact CG1-CE2 3.61Å; V163-F218 HydrophobicContact CG1-CZ 4.35Å; R164-F218 HydrophobicContact CG-CD2 4.2Å; R164-F218 HydrophobicContact CG-CE2 3.69Å; L208-F218 HydrophobicContact CD1-CB 4.17Å; L208-F218 HydrophobicContact CD1-CD1 3.56Å; L208-F218 HydrophobicContact CD1-CD2 4.05Å; L208-F218 HydrophobicContact CD1-CE1 3.93Å; L208-F218 HydrophobicContact CD1-CE2 4.39Å; L208-F218 HydrophobicContact CD1-CG 3.63Å; L208-F218 HydrophobicContact CD1-CZ 4.33Å; L208-F218 HydrophobicContact CD2-CB 3.84Å; L208-F218 HydrophobicContact CD2-CG 4.21Å; L214-F218 WeakPolarHBondContact O-CB 3.45Å; L214-F218 PolarHBondContact O-N 2.79Å; L215-F218 WeakPolarHBondContact O-CB 3.36Å; L215-F218 PolarHBondContact O-N 2.78Å; E216-F218 PolarHBondContact O-N 3.01Å; F218-T221 PolarHBondContact O-N 3.05Å; F218-C222 WeakPolarHBondContact CE1-SG 3.27Å; F218-C222 WeakPolarHBondContact CZ-SG 3.36Å; F218-C222 PolarHBondContact O-N 3.38Å; F218-C222 PolarHBondContact O-SG 2.91Å; F218-I238 HydrophobicContact CE1-CG2 4.49Å
219L89.5Confident86.3Confident4 Ų458.6 Ų58.62%0.02130%0.299CS..Hα-helixtrans-64.7-43.3177.9-68.4173.9000111.8L215 E216 T221 C222 Y223 L235 I238 R239L215-L219 HydrophobicContact CD1-CD1 4.17Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 4.03Å; L215-L219 HydrophobicContact CG-CG 4.4Å; L215-L219 VanDerWaalsContact O-CG 3.27Å; L215-L219 WeakPolarHBondContact O-CG 2.86Å; L215-L219 PolarHBondContact O-N 3.18Å; E216-L219 PolarHBondContact O-N 3.22Å; L219-T221 VanDerWaalsContact C-N 3.31Å; L219-T221 PolarHBondContact O-N 2.94Å; L219-C222 WeakPolarHBondContact O-CB 3.5Å; L219-C222 PolarHBondContact O-N 2.83Å; L219-Y223 PolarHBondContact O-N 3.05Å; L219-Y223 VanDerWaalsContact O-N 3.12Å; L219-L235 HydrophobicContact CB-CD2 4.38Å; L219-L235 HydrophobicContact CD2-CB 4.5Å; L219-L235 HydrophobicContact CD2-CD2 3.95Å; L219-I238 HydrophobicContact CD2-CB 3.8Å; L219-I238 HydrophobicContact CD2-CG2 3.61Å; L219-R239 HydrophobicContact CD1-CB 3.74Å; L219-R239 HydrophobicContact CD1-CG 4.09Å
220S90.2Very high86.5Confident65 Ų6555.7 Ų55.746%0.45528%0.284SS..Hα-helixtrans-59.5-44.3173.5178.40000111E216 C222 Y223 N224E216-S220 WeakPolarHBondContact O-CB 3.37Å; E216-S220 PolarHBondContact O-N 3.34Å; S220-C222 VanDerWaalsContact C-N 3.34Å; S220-C222 PolarHBondContact O-N 2.83Å; S220-Y223 WeakPolarHBondContact O-CB 3.35Å; S220-Y223 PolarHBondContact O-N 2.84Å; S220-N224 VanDerWaalsContact O-CG 3.25Å; S220-N224 PolarHBondContact O-N 3.06Å; S220-N224 PolarHBondContact O-ND2 3.47Å
221T90.4Very high86.9Confident18 Ų1851.8 Ų51.811%0.1127%0.265CS..Hα-helixtrans-68.1-33178.6-48.90000112.2I147 V163 H166 V167 Q217 F218 L219 N224 C225I147-T221 HydrophobicContact CD1-CG2 4.17Å; V163-T221 HydrophobicContact CG1-CG2 3.9Å; H166-T221 HydrophobicContact CB-CG2 3.5Å; H166-T221 VanDerWaalsContact CB-CG2 3.5Å; V167-T221 HydrophobicContact CG2-CG2 3.91Å; V167-T221 VanDerWaalsContact CG2-OG1 3.31Å; V167-T221 WeakPolarHBondContact CG2-OG1 3.36Å; Q217-T221 WeakPolarHBondContact O-CB 3.34Å; Q217-T221 PolarHBondContact O-N 3.28Å; Q217-T221 PolarHBondContact O-OG1 2.86Å; F218-T221 PolarHBondContact O-N 3.05Å; L219-T221 VanDerWaalsContact C-N 3.31Å; L219-T221 PolarHBondContact O-N 2.94Å; T221-N224 PolarHBondContact O-N 3.09Å; T221-C225 VanDerWaalsContact O-CB 3.3Å; T221-C225 WeakPolarHBondContact O-CB 3.24Å; T221-C225 PolarHBondContact O-N 3.4Å; T221-C225 PolarHBondContact O-SG 3.33Å
222C89.3Confident86.6Confident0 Ų053.1 Ų53.10%028%0.276CS..Hα-helixtrans-59-49.5172-72.70000111V163 F218 L219 S220 C225 F226 Y230 L235V163-C222 HydrophobicContact CG1-CB 4.45Å; V163-C222 HydrophobicContact CG2-CB 4.5Å; F218-C222 WeakPolarHBondContact CE1-SG 3.27Å; F218-C222 WeakPolarHBondContact CZ-SG 3.36Å; F218-C222 PolarHBondContact O-N 3.38Å; F218-C222 PolarHBondContact O-SG 2.91Å; L219-C222 WeakPolarHBondContact O-CB 3.5Å; L219-C222 PolarHBondContact O-N 2.83Å; S220-C222 VanDerWaalsContact C-N 3.34Å; S220-C222 PolarHBondContact O-N 2.83Å; C222-C225 PolarHBondContact O-N 3.32Å; C222-F226 PolarHBondContact O-N 3.14Å; C222-Y230 HydrophobicContact CB-CD1 3.91Å; C222-Y230 HydrophobicContact CB-CD2 3.74Å; C222-Y230 HydrophobicContact CB-CE1 4.06Å; C222-Y230 HydrophobicContact CB-CE2 3.91Å; C222-Y230 HydrophobicContact CB-CG 3.75Å; C222-Y230 WeakPolarHBondContact O-CD2 3.32Å; C222-L235 HydrophobicContact CB-CD2 3.76Å
223Y89.8Confident86Confident116 Ų11646.4 Ų46.446%0.45526%0.263SS..Hα-helixtrans-60.2-45.6177.3-174.3-104000111.7L219 S220 C225 F226 P227 Y230 L235L219-Y223 PolarHBondContact O-N 3.05Å; L219-Y223 VanDerWaalsContact O-N 3.12Å; S220-Y223 WeakPolarHBondContact O-CB 3.35Å; S220-Y223 PolarHBondContact O-N 2.84Å; Y223-C225 PolarHBondContact O-N 3.26Å; Y223-F226 CarbonylContact O-C 3.42Å; Y223-P227 VanDerWaalsContact O-CA 3.29Å; Y223-P227 WeakPolarHBondContact O-CA 3.35Å; Y223-P227 WeakPolarHBondContact O-CB 3.37Å; Y223-P227 VanDerWaalsContact O-CD 3.27Å; Y223-P227 WeakPolarHBondContact O-CD 3.43Å; Y223-P227 VanDerWaalsContact O-N 3.1Å; Y223-Y230 WeakPolarHBondContact CD2-O 3.37Å; Y223-L235 HydrophobicContact CD2-CD1 4.02Å; Y223-L235 HydrophobicContact CG-CD1 4.35Å
224N89.4Confident85.4Confident78 Ų7844.6 Ų44.642%0.41725%0.247SC..Hα-helixtrans-69.1-33.4-179.5-66-19.7000113.1S146 I147 S220 T221S146-N224 WeakPolarHBondContact CB-O 3.27Å; I147-N224 HydrophobicContact CD1-CB 4.02Å; I147-N224 HydrophobicContact CG1-CB 4.44Å; S220-N224 VanDerWaalsContact O-CG 3.25Å; S220-N224 PolarHBondContact O-N 3.06Å; S220-N224 PolarHBondContact O-ND2 3.47Å; T221-N224 PolarHBondContact O-N 3.09Å
225C86.8Confident84.7Confident0 Ų045.1 Ų45.10%025%0.249CC..Hα-helixtrans-74.7-45178.4-71.40000112C145 S146 I147 V163 H166 T221 C222 Y223C145-C225 CarbonylContact C-O 3.58Å; C145-C225 VanDerWaalsContact CA-O 3.31Å; C145-C225 WeakPolarHBondContact CA-O 3.42Å; S146-C225 PolarHBondContact N-O 2.77Å; S146-C225 PolarHBondContact OG-O 3.22Å; I147-C225 WeakPolarHBondContact CD1-SG 3.48Å; V163-C225 HydrophobicContact CG2-CB 4.02Å; H166-C225 PolarHBondContact CD2-SG 3.4Å; T221-C225 VanDerWaalsContact O-CB 3.3Å; T221-C225 WeakPolarHBondContact O-CB 3.24Å; T221-C225 PolarHBondContact O-N 3.4Å; T221-C225 PolarHBondContact O-SG 3.33Å; C222-C225 PolarHBondContact O-N 3.32Å; Y223-C225 PolarHBondContact O-N 3.26Å
226F87.4Confident83.9Confident1 Ų147.5 Ų47.50%0.00426%0.262CS..  trans-140.672.1-173-48.4-80.9000110.8E143 Q144 C145 T152 L159 Y162 V163 C222 Y223 S228 F229 Y230E143-F226 HydrophobicContact CB-CD1 3.72Å; E143-F226 HydrophobicContact CB-CE1 4.02Å; Q144-F226 WeakPolarHBondContact O-CD1 3.2Å; C145-F226 VanDerWaalsContact CA-CE1 3.47Å; C145-F226 HydrophobicContact CB-CE1 3.84Å; C145-F226 HydrophobicContact CB-CZ 3.85Å; T152-F226 HydrophobicContact CG2-CE1 3.78Å; T152-F226 HydrophobicContact CG2-CE2 4.35Å; T152-F226 HydrophobicContact CG2-CZ 3.48Å; T152-F226 VanDerWaalsContact CG2-CZ 3.48Å; L159-F226 HydrophobicContact CB-CD2 4.42Å; L159-F226 HydrophobicContact CB-CE2 4.35Å; L159-F226 HydrophobicContact CD2-CB 4.44Å; L159-F226 HydrophobicContact CD2-CD1 3.62Å; L159-F226 HydrophobicContact CD2-CD2 3.49Å; L159-F226 VanDerWaalsContact CD2-CD2 3.49Å; L159-F226 HydrophobicContact CD2-CE1 3.51Å; L159-F226 HydrophobicContact CD2-CE2 3.39Å; L159-F226 HydrophobicContact CD2-CG 3.59Å; L159-F226 HydrophobicContact CD2-CZ 3.41Å; L159-F226 VanDerWaalsContact CD2-CZ 3.41Å; L159-F226 HydrophobicContact CG-CE2 4.48Å; Y162-F226 AromaticContact CD1-CE2 3.48Å; Y162-F226 HydrophobicContact CD1-CE2 3.48Å; Y162-F226 VanDerWaalsContact CD1-CE2 3.48Å; Y162-F226 AromaticContact CD1-CZ 3.39Å; Y162-F226 HydrophobicContact CD1-CZ 3.39Å; Y162-F226 AromaticContact CE1-CE2 3.88Å; Y162-F226 HydrophobicContact CE1-CE2 3.88Å; Y162-F226 AromaticContact CE1-CZ 3.56Å; Y162-F226 HydrophobicContact CE1-CZ 3.56Å; Y162-F226 HydrophobicContact CG-CE2 4.45Å; Y162-F226 HydrophobicContact CG-CZ 4.2Å; V163-F226 HydrophobicContact CG2-CD2 4.05Å; V163-F226 HydrophobicContact CG2-CE2 3.87Å; C222-F226 PolarHBondContact O-N 3.14Å; Y223-F226 CarbonylContact O-C 3.42Å; F226-S228 PolarHBondContact O-N 2.91Å; F226-F229 HydrophobicContact CB-CB 4.01Å; F226-F229 PolarHBondContact O-N 3.12Å; F226-Y230 HydrophobicContact CB-CD2 3.94Å; F226-Y230 HydrophobicContact CB-CE2 4.3Å; F226-Y230 HydrophobicContact CD2-CD2 4.31Å; F226-Y230 AromaticContact CD2-CE2 3.92Å; F226-Y230 HydrophobicContact CD2-CE2 3.92Å; F226-Y230 PolarHBondContact O-N 2.84Å
227P85.5Confident83Confident60 Ų6052 Ų5239%0.3928%0.276SS..THydrogen-bonded Turntrans-62.3-31.5-177.723.3-32.5000112.2Y223 F229Y223-P227 VanDerWaalsContact O-CA 3.29Å; Y223-P227 WeakPolarHBondContact O-CA 3.35Å; Y223-P227 WeakPolarHBondContact O-CB 3.37Å; Y223-P227 VanDerWaalsContact O-CD 3.27Å; Y223-P227 WeakPolarHBondContact O-CD 3.43Å; Y223-P227 VanDerWaalsContact O-N 3.1Å; P227-F229 VanDerWaalsContact C-N 3.29Å; P227-F229 PolarHBondContact O-N 3.19Å
228S81Confident82Confident77 Ų7747.9 Ų47.954%0.53826%0.258SS..THydrogen-bonded Turntrans-62.1-32.2173.756.50000113.4E143 F226E143-S228 PolarHBondContact OE2-OG 3.4Å; F226-S228 PolarHBondContact O-N 2.91Å
229F83.5Confident81.2Confident15 Ų1552.2 Ų52.27%0.06627%0.274CS..THydrogen-bonded Turntrans-99.7-40.8-174.5-173.8-87.7000112.3K154 L156 L159 F226 P227 T231 R234K154-F229 HydrophobicContact CG-CD2 3.81Å; K154-F229 HydrophobicContact CG-CE2 3.97Å; L156-F229 HydrophobicContact CB-CZ 4.32Å; L156-F229 HydrophobicContact CD1-CE1 4.02Å; L159-F229 HydrophobicContact CD1-CB 4.09Å; L159-F229 HydrophobicContact CD1-CD1 3.31Å; L159-F229 HydrophobicContact CD1-CD2 3.48Å; L159-F229 VanDerWaalsContact CD1-CD2 3.48Å; L159-F229 HydrophobicContact CD1-CE1 3.44Å; L159-F229 VanDerWaalsContact CD1-CE1 3.44Å; L159-F229 HydrophobicContact CD1-CE2 3.6Å; L159-F229 HydrophobicContact CD1-CG 3.33Å; L159-F229 HydrophobicContact CD1-CZ 3.58Å; F226-F229 HydrophobicContact CB-CB 4.01Å; F226-F229 PolarHBondContact O-N 3.12Å; P227-F229 VanDerWaalsContact C-N 3.29Å; P227-F229 PolarHBondContact O-N 3.19Å; F229-T231 PolarHBondContact O-N 3.27Å; F229-R234 VanDerWaalsContact CD2-NH1 3.3Å; F229-R234 VanDerWaalsContact CE2-NH1 3.26Å; F229-R234 WeakPolarHBondContact O-CD 3.46Å; F229-R234 PolarHBondContact O-NH1 3.29Å
230Y81.1Confident80.1Confident1 Ų157.2 Ų57.20%0.00430%0.3CS..  trans-93.578.1-178.3-72.1-75.3000111.1L156 L159 S160 V163 C222 Y223 F226 L235 I238L156-Y230 HydrophobicContact CD1-CE1 4.15Å; L159-Y230 HydrophobicContact CB-CE2 4.06Å; L159-Y230 WeakPolarHBondContact CB-OH 3.36Å; S160-Y230 PolarHBondContact N-OH 2.93Å; V163-Y230 HydrophobicContact CG2-CE2 4.31Å; C222-Y230 HydrophobicContact CB-CD1 3.91Å; C222-Y230 HydrophobicContact CB-CD2 3.74Å; C222-Y230 HydrophobicContact CB-CE1 4.06Å; C222-Y230 HydrophobicContact CB-CE2 3.91Å; C222-Y230 HydrophobicContact CB-CG 3.75Å; C222-Y230 WeakPolarHBondContact O-CD2 3.32Å; Y223-Y230 WeakPolarHBondContact CD2-O 3.37Å; F226-Y230 HydrophobicContact CB-CD2 3.94Å; F226-Y230 HydrophobicContact CB-CE2 4.3Å; F226-Y230 HydrophobicContact CD2-CD2 4.31Å; F226-Y230 AromaticContact CD2-CE2 3.92Å; F226-Y230 HydrophobicContact CD2-CE2 3.92Å; F226-Y230 PolarHBondContact O-N 2.84Å; Y230-L235 HydrophobicContact CD1-CD2 3.96Å; Y230-L235 HydrophobicContact CG-CD2 4.23Å; Y230-I238 HydrophobicContact CD1-CD1 4.05Å; Y230-I238 HydrophobicContact CE1-CD1 3.72Å
231T82.3Confident79.1Confident67 Ų6761.8 Ų61.841%0.41131%0.308SS..  trans-66.3157.6169.463.60000111.3F229 A233 R234 L235F229-T231 PolarHBondContact O-N 3.27Å; T231-A233 PolarHBondContact O-N 3.25Å; T231-R234 WeakPolarHBondContact O-CA 3.36Å; T231-R234 WeakPolarHBondContact O-CB 3.43Å; T231-R234 PolarHBondContact O-N 2.85Å; T231-L235 PolarHBondContact O-N 2.95Å
232T76.6Confident77.9Confident99 Ų9962 Ų6261%0.60731%0.307SS*.Hα-helixtrans-48.8-46.8176.5-42.30000111.8R234 L235 D236T232-R234 VanDerWaalsContact C-N 3.3Å; T232-R234 PolarHBondContact O-N 3.43Å; T232-L235 PolarHBondContact O-N 2.89Å; T232-L235 VanDerWaalsContact O-N 3.13Å; T232-D236 PolarHBondContact O-N 3.2Å
233A71.6Confident75.9Confident57 Ų5763.5 Ų63.547%0.47132%0.322SS..Hα-helixtrans-64.2-25.5177.500000114.8T231 R237T231-A233 PolarHBondContact O-N 3.25Å; A233-R237 WeakPolarHBondContact O-CG 3.45Å; A233-R237 PolarHBondContact O-N 3.1Å; A233-R237 PolarHBondContact O-NE 2.76Å; A233-R237 VanDerWaalsContact O-NE 3.11Å
234R75Confident73.4Confident93 Ų9367.4 Ų67.435%0.35134%0.337SS..Hα-helixtrans-79.5-40.6172.2-80.9177.4175.4-177.91111.1F229 T231 T232 D236 R237 I238F229-R234 VanDerWaalsContact CD2-NH1 3.3Å; F229-R234 VanDerWaalsContact CE2-NH1 3.26Å; F229-R234 WeakPolarHBondContact O-CD 3.46Å; F229-R234 PolarHBondContact O-NH1 3.29Å; T231-R234 WeakPolarHBondContact O-CA 3.36Å; T231-R234 WeakPolarHBondContact O-CB 3.43Å; T231-R234 PolarHBondContact O-N 2.85Å; T232-R234 VanDerWaalsContact C-N 3.3Å; T232-R234 PolarHBondContact O-N 3.43Å; R234-D236 VanDerWaalsContact C-N 3.35Å; R234-R237 WeakPolarHBondContact O-CB 3.29Å; R234-R237 PolarHBondContact O-N 2.7Å; R234-I238 WeakPolarHBondContact O-CG1 3.45Å; R234-I238 PolarHBondContact O-N 3.46Å; R234-I238 VanDerWaalsContact O-N 3.07Å
235L73.6Confident70.8Confident20 Ų2067.6 Ų67.611%0.10534%0.338CS..Hα-helixtrans-62.3-43175.8-66.4170.9000111L219 C222 Y223 Y230 T231 T232 R237 I238 R239L219-L235 HydrophobicContact CB-CD2 4.38Å; L219-L235 HydrophobicContact CD2-CB 4.5Å; L219-L235 HydrophobicContact CD2-CD2 3.95Å; C222-L235 HydrophobicContact CB-CD2 3.76Å; Y223-L235 HydrophobicContact CD2-CD1 4.02Å; Y223-L235 HydrophobicContact CG-CD1 4.35Å; Y230-L235 HydrophobicContact CD1-CD2 3.96Å; Y230-L235 HydrophobicContact CG-CD2 4.23Å; T231-L235 PolarHBondContact O-N 2.95Å; T232-L235 PolarHBondContact O-N 2.89Å; T232-L235 VanDerWaalsContact O-N 3.13Å; L235-R237 VanDerWaalsContact C-N 3.32Å; L235-R237 PolarHBondContact O-N 3.35Å; L235-I238 WeakPolarHBondContact O-CB 3.41Å; L235-I238 PolarHBondContact O-N 3.35Å; L235-I238 VanDerWaalsContact O-N 3.09Å; L235-R239 WeakPolarHBondContact O-CB 3.41Å; L235-R239 PolarHBondContact O-N 2.5Å
236D69.7Low68Low59 Ų5971.1 Ų71.132%0.31636%0.363SS..Hα-helixtrans-62.9-37.3176-70.9-32.8000112.4T232 R234 I238 R239 N240T232-D236 PolarHBondContact O-N 3.2Å; R234-D236 VanDerWaalsContact C-N 3.35Å; D236-I238 VanDerWaalsContact C-N 3.33Å; D236-I238 PolarHBondContact O-N 3.2Å; D236-R239 PolarHBondContact O-N 3.17Å; D236-R239 IonicContact OD1-NH1 2.77Å; D236-R239 PolarHBondContact OD1-NH1 2.84Å; D236-N240 WeakPolarHBondContact O-CB 3.29Å; D236-N240 PolarHBondContact O-N 3.35Å; D236-N240 PolarHBondContact O-ND2 3.12Å
237R69.1Low65Low158 Ų15881 Ų8160%0.59640%0.402SS*.Hα-helixtrans-63.6-38.1173-79.2-175.9-76.3-176.1-8.4112.7A233 R234 L235 R241A233-R237 WeakPolarHBondContact O-CG 3.45Å; A233-R237 PolarHBondContact O-N 3.1Å; A233-R237 PolarHBondContact O-NE 2.76Å; A233-R237 VanDerWaalsContact O-NE 3.11Å; R234-R237 WeakPolarHBondContact O-CB 3.29Å; R234-R237 PolarHBondContact O-N 2.7Å; L235-R237 VanDerWaalsContact C-N 3.32Å; L235-R237 PolarHBondContact O-N 3.35Å; R237-R241 PolarHBondContact O-N 2.86Å
238I70.2Confident62.1Low17 Ų1783.3 Ų83.39%0.08742%0.418CS..Hα-helixtrans-69.5-47.1175.7-63.1166.5000109.3L156 F218 L219 Y230 R234 L235 D236 N240 R241 Y242L156-I238 HydrophobicContact CD1-CD1 4.48Å; F218-I238 HydrophobicContact CE1-CG2 4.49Å; L219-I238 HydrophobicContact CD2-CB 3.8Å; L219-I238 HydrophobicContact CD2-CG2 3.61Å; Y230-I238 HydrophobicContact CD1-CD1 4.05Å; Y230-I238 HydrophobicContact CE1-CD1 3.72Å; R234-I238 WeakPolarHBondContact O-CG1 3.45Å; R234-I238 PolarHBondContact O-N 3.46Å; R234-I238 VanDerWaalsContact O-N 3.07Å; L235-I238 WeakPolarHBondContact O-CB 3.41Å; L235-I238 PolarHBondContact O-N 3.35Å; L235-I238 VanDerWaalsContact O-N 3.09Å; D236-I238 VanDerWaalsContact C-N 3.33Å; D236-I238 PolarHBondContact O-N 3.2Å; I238-N240 VanDerWaalsContact C-N 3.35Å; I238-N240 PolarHBondContact O-N 2.8Å; I238-R241 WeakPolarHBondContact O-CB 3.21Å; I238-R241 PolarHBondContact O-N 3.38Å; I238-R241 VanDerWaalsContact O-N 3.11Å; I238-Y242 HydrophobicContact CG2-CD2 3.96Å; I238-Y242 HydrophobicContact CG2-CE2 3.68Å; I238-Y242 VanDerWaalsContact O-CD2 3.25Å; I238-Y242 WeakPolarHBondContact O-CD2 3.22Å; I238-Y242 PolarHBondContact O-N 3.36Å
239R74.1Confident59.4Low92 Ų9286.4 Ų86.435%0.34743%0.427SS..Hα-helixtrans-53.1-49.8175.7-173.8-178.1-82.3148.2-9.3111.5E216 L219 L235 D236 R241 Y242 G243E216-R239 IonicContact OE1-CZ 3.96Å; E216-R239 IonicContact OE1-NE 3.59Å; E216-R239 PolarHBondContact OE1-NE 3.39Å; E216-R239 IonicContact OE1-NH2 2.92Å; E216-R239 PolarHBondContact OE1-NH2 2.88Å; E216-R239 IonicContact OE2-CZ 2.97Å; E216-R239 IonicContact OE2-NE 3.73Å; E216-R239 IonicContact OE2-NH2 2.65Å; E216-R239 PolarHBondContact OE2-NH2 2.71Å; L219-R239 HydrophobicContact CD1-CB 3.74Å; L219-R239 HydrophobicContact CD1-CG 4.09Å; L235-R239 WeakPolarHBondContact O-CB 3.41Å; L235-R239 PolarHBondContact O-N 2.5Å; D236-R239 PolarHBondContact O-N 3.17Å; D236-R239 IonicContact OD1-NH1 2.77Å; D236-R239 PolarHBondContact OD1-NH1 2.84Å; R239-R241 VanDerWaalsContact C-N 3.3Å; R239-R241 PolarHBondContact O-N 2.94Å; R239-Y242 PolarHBondContact O-N 2.79Å; R239-G243 PolarHBondContact O-N 3.23Å
240N65.3Low56.6Low108 Ų10894.6 Ų94.658%0.57846%0.463SS*.Hα-helixtrans-64.2-32.8179.8-70.9-17.4000112.9D236 I238 G243 Y244D236-N240 WeakPolarHBondContact O-CB 3.29Å; D236-N240 PolarHBondContact O-N 3.35Å; D236-N240 PolarHBondContact O-ND2 3.12Å; I238-N240 VanDerWaalsContact C-N 3.35Å; I238-N240 PolarHBondContact O-N 2.8Å; N240-G243 PolarHBondContact O-N 2.83Å; N240-Y244 PolarHBondContact O-N 3.38Å; N240-Y244 VanDerWaalsContact O-N 3.1Å
241R68.6Low54.1Low162 Ų162101.8 Ų101.861%0.61150%0.501SS*.Hα-helixtrans-64.1-40.2177-175.4-176.2-66.5172.6-2.1112.3R237 I238 R239R237-R241 PolarHBondContact O-N 2.86Å; I238-R241 WeakPolarHBondContact O-CB 3.21Å; I238-R241 PolarHBondContact O-N 3.38Å; I238-R241 VanDerWaalsContact O-N 3.11Å; R239-R241 VanDerWaalsContact C-N 3.3Å; R239-R241 PolarHBondContact O-N 2.94Å
242Y66Low51.4Low23 Ų23102.1 Ų102.19%0.0952%0.518CS..Hα-helixtrans-82.3-33.9175.9-67.4-76.9000111.5R164 D206 L208 N209 L215 I238 R239 Y244 N245R164-Y242 PolarHBondContact NH2-OH 3.11Å; R164-Y242 VanDerWaalsContact NH2-OH 3.15Å; D206-Y242 PolarHBondContact OD2-OH 3.1Å; D206-Y242 VanDerWaalsContact OD2-OH 3.11Å; L208-Y242 HydrophobicContact CB-CD1 3.82Å; L208-Y242 HydrophobicContact CB-CE1 3.48Å; L208-Y242 VanDerWaalsContact CB-CE1 3.48Å; L208-Y242 HydrophobicContact CB-CE2 4.36Å; L208-Y242 HydrophobicContact CB-CG 4.42Å; L208-Y242 HydrophobicContact CD1-CE1 4.46Å; L208-Y242 HydrophobicContact CD1-CE2 4.24Å; L208-Y242 WeakPolarHBondContact O-CD1 3.35Å; N209-Y242 WeakPolarHBondContact OD1-CD1 3.44Å; N209-Y242 WeakPolarHBondContact OD1-CE1 3.46Å; L215-Y242 HydrophobicContact CD1-CD2 3.38Å; L215-Y242 HydrophobicContact CD1-CE2 4Å; L215-Y242 HydrophobicContact CD1-CG 3.8Å; L215-Y242 HydrophobicContact CD2-CD2 4.5Å; L215-Y242 HydrophobicContact CD2-CG 4.31Å; I238-Y242 HydrophobicContact CG2-CD2 3.96Å; I238-Y242 HydrophobicContact CG2-CE2 3.68Å; I238-Y242 VanDerWaalsContact O-CD2 3.25Å; I238-Y242 WeakPolarHBondContact O-CD2 3.22Å; I238-Y242 PolarHBondContact O-N 3.36Å; R239-Y242 PolarHBondContact O-N 2.79Å; Y242-Y244 PolarHBondContact O-N 3.06Å; Y242-N245 PolarHBondContact O-N 3.26Å
243G47.9Very low49Very low30 Ų30104 Ų10431%0.30952%0.524SS..Hα-helixtrans-64.6-34.9-179.400000114.8R239 N240 N245 S246R239-G243 PolarHBondContact O-N 3.23Å; N240-G243 PolarHBondContact O-N 2.83Å; G243-N245 PolarHBondContact O-N 3.22Å; G243-S246 PolarHBondContact O-N 2.95Å; G243-S246 PolarHBondContact O-OG 3.32Å
244Y37.7Very low46.7Very low198 Ų198109.2 Ų109.278%0.77654%0.543SS*.THydrogen-bonded Turntrans-69.5-14.1178.8-137.3-93.3000113.5N240 Y242N240-Y244 PolarHBondContact O-N 3.38Å; N240-Y244 VanDerWaalsContact O-N 3.1Å; Y242-Y244 PolarHBondContact O-N 3.06Å
245N33.5Very low44.4Very low82 Ų82109.6 Ų109.644%0.43957%0.566SS.*THydrogen-bonded Turntrans-89.1-16.2176.8-73.4-23.5000113.5Y242 G243Y242-N245 PolarHBondContact O-N 3.26Å; G243-N245 PolarHBondContact O-N 3.22Å
246S28.8Very low42.1Very low75 Ų75114.6 Ų114.652%0.52460%0.603SS.*G310 helixtrans-84.7-15.3179.979.20000114.5G243G243-S246 PolarHBondContact O-N 2.95Å; G243-S246 PolarHBondContact O-OG 3.32Å
247Y24Very low40.1Very low208 Ų208117.4 Ų117.482%0.81662%0.624SS**G310 helixtrans-88.60.4-178.1-95.9-87.4000114.9
248C25Very low38.1Very low108 Ų108116 Ų11673%0.7364%0.636SS**G310 helixtrans-114.49-178.7-660000114.7
249I24.1Very low36Very low142 Ų142120.6 Ų120.673%0.72867%0.669SS**SBendtrans-14070.3179.5-47.4176.8000109
250K24.9Very low34Very low188 Ų188122.3 Ų122.382%0.81769%0.692SS**SBendtrans-177.5136.4159.5-97.7157.1-164-1690106.4
251N27.2Very low32.2Very low151 Ų151122.1 Ų122.181%0.80770%0.7SS**  trans94.659.6-178.8-45.1-6.5000114.3D253N251-D253 VanDerWaalsContact C-N 3.28Å; N251-D253 PolarHBondContact O-N 3.09Å
252G25.9Very low30.5Very low74 Ų74121.9 Ų121.976%0.76371%0.709SS**  -71.699.9127.300000106.1
253D26.4Very low28.8Very low140 Ų140126 Ų12675%0.74973%0.733SS**  trans-175.5108.1158.1-88.1-31.6000108.9N251N251-D253 VanDerWaalsContact C-N 3.28Å; N251-D253 PolarHBondContact O-N 3.09Å
254L24.3Very low28.1Very low166 Ų166132.4 Ų132.487%0.86975%0.752SS**  trans37.9108.9139.1-66.6154.1000118.9
255A27.1Very low27.9Very low101 Ų101132.4 Ų132.484%0.83576%0.756SS**  160.7117.4114.500000111.4
256S25.4Very low27.7Very low124 Ų124138 Ų13887%0.86778%0.777SS**  trans-83.4151.3168.4-47.10000111.1
257P26.9Very low27.9Very low119 Ų119138.8 Ų138.877%0.77378%0.78SS**  trans-115163.8148.311.99.3000112
258P27.2Very low28Very low129 Ų129137.4 Ų137.484%0.83878%0.778SS**PPolyproline II helixtrans-93.2153.8-13835.4-35.3000115.1
259S26.7Very low28.1Very low112 Ų112142.3 Ų142.378%0.78378%0.782SS**PPolyproline II helixtrans-91.9146.1173.241.20000112.6
260P30.8Very low28.2Very low129 Ų129144 Ų14484%0.83878%0.784SS**PPolyproline II helixtrans-85.7131.1161.79.29.2000111.1
261S27.7Very low28.3Very low104 Ų104147 Ų14773%0.72779%0.79SS**PPolyproline II helixtrans-61.2151175.650.50000114.8
262L33.3Very low28.4Very low156 Ų156143.7 Ų143.782%0.81779%0.791SS**  -166.3102.5123.5-97.7162.5000109.5
263D29.8Very low28.4Very low110 Ų110147.3 Ų147.359%0.58879%0.793SS**  32.9138125.6-78.1-17.7000119
264K32.9Very low28.6Very low164 Ų164145.6 Ų145.671%0.71379%0.789SS**  cis-177.1156.218.8-117.2159.6-169147.80108.1
265K33.9Very low28.8Very low198 Ų198140.8 Ų140.886%0.86178%0.78SS**  trans88.582156.4-66.1172.3-178.6-178.50120.4
266K28.5Very low29.2Very low199 Ų199145.1 Ų145.187%0.86578%0.783SS**  -38.4177.9129.8-105.1177.8-168.3178.50114.4
267P33Very low29.4Very low93 Ų93146.9 Ų146.960%0.60478%0.783SS**  cis-150.9-164.1-2.131.5-4.9000116.3
268K26.6Very low29.7Very low178 Ų178144.3 Ų144.377%0.77478%0.777SS**  trans83122150.2-74.3165.6-170.9179.30114.5
269R27.8Very low30Very low211 Ų211141.1 Ų141.180%0.79676%0.757SS**  cis-173.313840.3-106.9155.6177.8-159.91.3111.8
270K26.3Very low30.6Very low179 Ų179140.8 Ų140.878%0.77875%0.747SS**  trans67108131.2-73.8-176.4172.5-175.50121.8
271R26.2Very low30.8Very low251 Ų251136.4 Ų136.495%0.94773%0.725SS**  trans65.294.4130.7-69-171.9178.1-160.7-1.6118.3
272G29.2Very low31.1Very low80 Ų80134.1 Ų134.183%0.82571%0.708SS**  trans166.571.1155.600000110.6
273D25.9Very low31.4Very low150 Ų150129.8 Ų129.880%0.80269%0.694SS**  trans-146.4157.5178.3-152.332.2000107.7
274P31Very low31.9Very low104 Ų104132.1 Ų132.168%0.67570%0.699SS**  cis-130.7155.72.215.411.8000113.2
275G28.1Very low32.2Very low65 Ų65129.3 Ų129.367%0.6769%0.692SS**  74.484.971.500000110.3
276Q35.4Very low32.7Very low193 Ų193121.6 Ų121.690%0.90266%0.66SS**  trans-153.553.5163.6-100.818031.200109.7G278Q276-G278 PolarHBondContact O-N 2.95Å
277N29.8Very low33.6Very low161 Ų161115 Ų11586%0.86163%0.63SS**  trans-73.985.1166.8-76.9-12.7000108.5
278G34.5Very low34Very low64 Ų64112.9 Ų112.966%0.6661%0.613SS**  trans-72.4125.1-171.700000114.3Q276Q276-G278 PolarHBondContact O-N 2.95Å
279C32.4Very low34.6Very low62 Ų62108.1 Ų108.142%0.41960%0.596SS.*  trans33.4115.6159.4-166.20000118C298 C299C279-C298 PolarHBondContact SG-O 3.38Å; C279-C298 VanDerWaalsContact SG-O 3.41Å; C279-C299 WeakPolarHBondContact O-CB 3.27Å; C279-C299 PolarHBondContact O-SG 3.2Å
280L39.2Very low35.2Very low106 Ų106103 Ų10356%0.55559%0.592SS**SBendtrans-107.619172.1-80.6164.5000113.4
281G35.2Very low35.7Very low37 Ų37100.8 Ų100.838%0.38159%0.588SS.*  trans167.699.3-172.800000113.5A283 C298G281-A283 PolarHBondContact O-N 3.04Å; G281-A283 VanDerWaalsContact O-N 3.13Å; G281-C298 PolarHBondContact N-O 2.76Å
282C35Very low36.3Very low56 Ų5693.1 Ų93.138%0.37857%0.565SS.*  trans-64115.3167.4-168.20000109.2K284 C298C282-K284 PolarHBondContact O-N 3.4Å; C282-C298 PolarHBondContact N-O 2.91Å; C282-C298 VanDerWaalsContact N-O 3.13Å
283A38Very low36.8Very low64 Ų6498.3 Ų98.353%0.52956%0.561SS.*THydrogen-bonded Turntrans-62.310.7-176.900000115.7G281G281-A283 PolarHBondContact O-N 3.04Å; G281-A283 VanDerWaalsContact O-N 3.13Å
284K41.7Very low37.6Very low159 Ų15995.9 Ų95.969%0.69155%0.552SS**THydrogen-bonded Turntrans-108.5-10.9-167.3-69.6-174.4175.7-177.10115.5C282C282-K284 PolarHBondContact O-N 3.4Å
285N39.4Very low38Very low106 Ų10698.7 Ų98.757%0.56756%0.561SS**  trans-140.783.2-177.8-74.1-41.2000113.1
286L42.7Very low38.6Very low35 Ų3597.6 Ų97.618%0.18355%0.55CS.*  trans-86.5121175.3-73.3159.1000110.6W383 K384 W387L286-W383 HydrophobicContact CB-CH2 3.23Å; L286-W383 HydrophobicContact CB-CZ2 4.28Å; L286-W383 HydrophobicContact CB-CZ3 3.53Å; L286-W383 HydrophobicContact CD1-CE3 4.18Å; L286-W383 HydrophobicContact CD1-CH2 3.8Å; L286-W383 HydrophobicContact CD1-CZ2 4.48Å; L286-W383 HydrophobicContact CD1-CZ3 3.6Å; L286-W383 HydrophobicContact CD2-CZ3 4.44Å; L286-W383 HydrophobicContact CG-CH2 4.11Å; L286-W383 HydrophobicContact CG-CZ3 4.05Å; L286-K384 VanDerWaalsContact CD1-CA 3.48Å; L286-K384 HydrophobicContact CD1-CB 3.35Å; L286-K384 HydrophobicContact CD1-CD 3.78Å; L286-K384 HydrophobicContact CD1-CG 3.34Å; L286-W387 HydrophobicContact CD2-CD2 3.36Å; L286-W387 HydrophobicContact CD2-CE3 2.99Å; L286-W387 HydrophobicContact CD2-CG 4.1Å; L286-W387 HydrophobicContact CD2-CH2 3.68Å; L286-W387 HydrophobicContact CD2-CZ2 4.01Å; L286-W387 HydrophobicContact CD2-CZ3 3.18Å; L286-W387 HydrophobicContact CG-CE3 4.36Å
287R47.7Very low38.6Very low62 Ų6292.5 Ų92.523%0.23454%0.535CS..  trans-103.881.9-169.3-60.4170.9-178.6-149.8-9.1110.5T294R287-T294 PolarHBondContact NH1-O 3.32Å; R287-T294 PolarHBondContact NH2-O 3.17Å
288L42.1Very low38.8Very low48 Ų4886.1 Ų86.125%0.25150%0.503SS..  trans-79.2-16.3-177.4-90159.6000114L335 P342 F376 W378 W383L288-L335 HydrophobicContact CD2-CD1 4.16Å; L288-L335 HydrophobicContact CD2-CD2 3.72Å; L288-P342 HydrophobicContact CD2-CB 4.29Å; L288-P342 HydrophobicContact CD2-CG 4.37Å; L288-F376 HydrophobicContact CD1-CE2 4.05Å; L288-F376 HydrophobicContact CD1-CZ 3.75Å; L288-W378 HydrophobicContact CD1-CE3 4.22Å; L288-W378 HydrophobicContact CD1-CZ3 4.13Å; L288-W378 HydrophobicContact CD2-CE3 4.47Å; L288-W378 HydrophobicContact CD2-CH2 4.49Å; L288-W378 HydrophobicContact CD2-CZ3 3.89Å; L288-W378 HydrophobicContact CG-CZ3 4.47Å; L288-W383 HydrophobicContact CD1-CD2 4.37Å; L288-W383 HydrophobicContact CD1-CE3 3.86Å; L288-W383 HydrophobicContact CD1-CH2 3.27Å; L288-W383 HydrophobicContact CD1-CZ2 3.89Å; L288-W383 HydrophobicContact CD1-CZ3 3.27Å; L288-W383 HydrophobicContact CG-CH2 4.09Å; L288-W383 HydrophobicContact CG-CZ3 3.94Å
289L40.1Very low38.8Very low77 Ų7785.6 Ų85.640%0.40349%0.488SS..SBendtrans-129.5132.5-170.7-66.5166000111.1I291 D292 L355L289-I291 PolarHBondContact O-N 3Å; L289-D292 PolarHBondContact O-N 3.23Å; L289-L355 HydrophobicContact CD2-CD2 3.96Å
290S38.8Very low39Very low103 Ų10386.3 Ų86.372%0.7249%0.493SS*.THydrogen-bonded Turntrans-64.619.3177.9-49.40000114.7Y293S290-Y293 WeakPolarHBondContact O-CD2 3.31Å; S290-Y293 WeakPolarHBondContact O-CE2 3.35Å
291I36.6Very low38.8Very low134 Ų13487.3 Ų87.369%0.68749%0.493SS*.THydrogen-bonded Turntrans-113.1-12.4-179.4-40.8171.1000109.8L289 Y293L289-I291 PolarHBondContact O-N 3Å; I291-Y293 PolarHBondContact O-N 3.15Å; I291-Y293 VanDerWaalsContact O-N 3.1Å
292D40Very low38.8Very low89 Ų8989.5 Ų89.548%0.47650%0.496SS..  trans-86.837.9-178.6-60.6-36.8000112.8L289 T294L289-D292 PolarHBondContact O-N 3.23Å; D292-T294 PolarHBondContact O-N 3.24Å
293Y39.2Very low39Very low189 Ų18992.7 Ų92.774%0.74151%0.506SS*.  trans-61.998180-76.5-77.1000111.5S290 I291S290-Y293 WeakPolarHBondContact O-CD2 3.31Å; S290-Y293 WeakPolarHBondContact O-CE2 3.35Å; I291-Y293 PolarHBondContact O-N 3.15Å; I291-Y293 VanDerWaalsContact O-N 3.1Å
294T43.1Very low39.2Very low100 Ų10094 Ų9461%0.61350%0.499SS*.  trans-137.7118.9154.849.90000108.3R287 D292 G296R287-T294 PolarHBondContact NH1-O 3.32Å; R287-T294 PolarHBondContact NH2-O 3.17Å; D292-T294 PolarHBondContact O-N 3.24Å; T294-G296 PolarHBondContact O-N 2.96Å
295D39.5Very low38.9Very low162 Ų16295.2 Ų95.287%0.86651%0.505SS*.  trans-60.1124.6176.4-70.3-41000110.1
296G40.2Very low38.6Very low42 Ų4295.7 Ų95.743%0.43352%0.515SS..  trans-167.9118.8179.300000113.1T294T294-G296 PolarHBondContact O-N 2.96Å
297C36.1Very low37.9Very low86 Ų8697.4 Ų97.458%0.58154%0.541SS*.  trans-80.5142.4176.5177.20000111.3C299C297-C299 PolarHBondContact O-N 3.43Å
298C32.9Very low37.3Very low27 Ų2798.8 Ų98.818%0.18256%0.56CS.*THydrogen-bonded Turntrans-93.420.9-163.1500000116.2C279 G281 C282 L327C279-C298 PolarHBondContact SG-O 3.38Å; C279-C298 VanDerWaalsContact SG-O 3.41Å; G281-C298 PolarHBondContact N-O 2.76Å; C282-C298 PolarHBondContact N-O 2.91Å; C282-C298 VanDerWaalsContact N-O 3.13Å; C298-L327 HydrophobicContact CB-CD1 4.49Å; C298-L327 HydrophobicContact CB-CD2 3.73Å; C298-L327 WeakPolarHBondContact SG-CD1 3.26Å; C298-L327 WeakPolarHBondContact SG-CD2 3.18Å
299C35.3Very low36.9Very low53 Ų53106.5 Ų106.536%0.35860%0.595SS.*THydrogen-bonded Turntrans-129.5-26.2-171.2-48.40000115.9C279 C297C279-C299 WeakPolarHBondContact O-CB 3.27Å; C279-C299 PolarHBondContact O-SG 3.2Å; C297-C299 PolarHBondContact O-N 3.43Å
300C36.7Very low36.7Very low78 Ų78106.6 Ų106.653%0.52761%0.607SS.*THydrogen-bonded Turntrans-140.5-11.1-166.930.80000117.5D302C300-D302 HydrophobicContact CB-CB 3.95Å; C300-D302 VanDerWaalsContact O-CB 3.31Å; C300-D302 WeakPolarHBondContact O-CB 3.06Å; C300-D302 PolarHBondContact O-N 2.87Å
301F35.5Very low37.1Very low127 Ų127105.5 Ų105.556%0.55760%0.595SS**  trans48.822.9-174-91.8-76.5000114.3
302D34.2Very low38Very low83 Ų83101.6 Ų101.644%0.44459%0.589SS.*  trans-118.5115.8-168.2-126.829.2000103.9R201 C300R201-D302 HydrophobicContact CB-CB 4.38Å; R201-D302 VanDerWaalsContact CB-OD1 3.27Å; R201-D302 WeakPolarHBondContact CB-OD1 3.46Å; R201-D302 VanDerWaalsContact CD-C 3.5Å; R201-D302 WeakPolarHBondContact CD-OD1 3.32Å; R201-D302 IonicContact CZ-OD2 3.74Å; R201-D302 IonicContact NE-OD2 3.58Å; R201-D302 IonicContact NH1-OD2 3.49Å; R201-D302 PolarHBondContact NH1-OD2 3.33Å; R201-D302 PolarHBondContact NH2-O 3.18Å; C300-D302 HydrophobicContact CB-CB 3.95Å; C300-D302 VanDerWaalsContact O-CB 3.31Å; C300-D302 WeakPolarHBondContact O-CB 3.06Å; C300-D302 PolarHBondContact O-N 2.87Å
303E39.1Very low39Very low122 Ų122105 Ų10557%0.5760%0.599SS**SBendtrans-73.8-56.4-173.7-59.2-173.3148.300117.7R201 K305R201-E303 HydrophobicContact CG-CB 4.13Å; R201-E303 VanDerWaalsContact CG-N 3.29Å; R201-E303 VanDerWaalsContact NH2-N 3.2Å; R201-E303 PolarHBondContact NH2-O 2.85Å; R201-E303 VanDerWaalsContact NH2-O 3.13Å; E303-K305 PolarHBondContact O-N 2.84Å
304K43.3Very low40.2Very low91 Ų9196.9 Ų96.940%0.39657%0.569SS.*THydrogen-bonded Turntrans-51.228.9168.1-39.6169.9174.9146.80127.1H197 H198 L200 R201H197-K304 PolarHBondContact O-NZ 2.87Å; H198-K304 WeakPolarHBondContact O-CD 3.37Å; H198-K304 WeakPolarHBondContact O-CE 3.23Å; H198-K304 PolarHBondContact O-NZ 2.79Å; L200-K304 PolarHBondContact O-NZ 3.34Å; R201-K304 HydrophobicContact CG-CB 4.48Å; R201-K304 HydrophobicContact CG-CD 3.92Å; R201-K304 HydrophobicContact CG-CG 3.92Å
305K35.2Very low41.2Very low186 Ų18695.2 Ų95.281%0.80956%0.559SS**THydrogen-bonded Turntrans-155.3-7.7-174.9-85.8-163.1179.61800116.7E303E303-K305 PolarHBondContact O-N 2.84Å
306C31.8Very low42.8Very low116 Ų11687.5 Ų87.578%0.78452%0.518SS*.  trans-106.763.6169.6-153.10000108.7
307G29.2Very low44.3Very low71 Ų7191.5 Ų91.573%0.73252%0.519SS*.  trans-96.8104.9162.300000106.9
308S34.9Very low46.2Very low90 Ų9090.5 Ų90.563%0.62951%0.508SS*.  trans-175137.5155.248.20000110.7A310S308-A310 PolarHBondContact O-N 3.48Å
309E34.4Very low48.4Very low211 Ų21191.3 Ų91.399%0.98651%0.513SS*.SBendtrans-69.942.4177.1-65162.3131.800112.5
310A34.9Very low50.3Low78 Ų7892.8 Ų92.865%0.64552%0.517SS*.  trans-13575.1-173.200000111.7S308S308-A310 PolarHBondContact O-N 3.48Å
311V47.9Very low52.2Low80 Ų8095.8 Ų95.849%0.48552%0.522SS..  trans-100.886.6171.1-169.60000108.7G325 K326V311-G325 WeakPolarHBondContact CG1-O 3.44Å; V311-K326 HydrophobicContact CB-CG 4.27Å; V311-K326 HydrophobicContact CG1-CB 4.43Å; V311-K326 HydrophobicContact CG1-CG 3.74Å; V311-K326 VanDerWaalsContact CG1-N 3.27Å; V311-K326 HydrophobicContact CG2-CG 4.41Å
312G53.8Low54Low53 Ų5392.2 Ų92.255%0.54651%0.512SS..  trans-56.6168.8177.800000113.5G325G312-G325 WeakPolarHBondContact O-CA 3.44Å; G312-G325 PolarHBondContact O-N 2.91Å
313K61.5Low55.7Low159 Ų15988.6 Ų88.669%0.69149%0.493SS*.EExtended strand (participates in β ladder)trans-84.9139.5174.1-56.2-177.4-173.4174.10110.1S322 V323K313-S322 VanDerWaalsContact CB-OG 3.22Å; K313-S322 WeakPolarHBondContact CB-OG 3.29Å; K313-S322 WeakPolarHBondContact CD-OG 3.01Å; K313-V323 CarbonylContact C-O 3.13Å; K313-V323 WeakPolarHBondContact CA-O 3.37Å
314V63.8Low57.2Low20 Ų2085.8 Ų85.812%0.12149%0.486CS..EExtended strand (participates in β ladder)trans-115.4126.3-179.7167.20000108V323 L330 F395 L398V314-V323 PolarHBondContact N-O 3.13Å; V314-V323 WeakPolarHBondContact O-CA 3.45Å; V314-V323 WeakPolarHBondContact O-CB 3.21Å; V314-V323 PolarHBondContact O-N 2.92Å; V314-L330 HydrophobicContact CB-CD2 3.98Å; V314-L330 HydrophobicContact CG1-CD2 3.94Å; V314-L330 HydrophobicContact CG2-CD2 4.5Å; V314-F395 HydrophobicContact CG1-CD1 3.53Å; V314-F395 HydrophobicContact CG1-CE1 3.87Å; V314-L398 HydrophobicContact CB-CD2 4.31Å; V314-L398 HydrophobicContact CG1-CD1 3.47Å; V314-L398 VanDerWaalsContact CG1-CD1 3.47Å; V314-L398 HydrophobicContact CG1-CD2 3.61Å; V314-L398 HydrophobicContact CG1-CG 4.15Å; V314-L398 HydrophobicContact CG2-CD1 4.29Å; V314-L398 HydrophobicContact CG2-CD2 4.02Å
315V64.9Low57.9Low65 Ų6582.6 Ų82.639%0.39448%0.479SS..EExtended strand (participates in β ladder)trans-83.9125.9177.7-178.70000109.6K321V315-K321 WeakPolarHBondContact CA-O 3.49Å
316C73.4Confident59.2Low0 Ų079.9 Ų79.90%047%0.467CS..  trans-71.2130.3171.5173.20000110.8L318 L320 K321 V323 H333 C394 F395C316-L318 VanDerWaalsContact C-N 3.31Å; C316-L318 PolarHBondContact O-N 3.06Å; C316-L318 PolarHBondContact SG-N 2.93Å; C316-L320 WeakPolarHBondContact O-CA 3.39Å; C316-L320 PolarHBondContact O-N 3.27Å; C316-K321 PolarHBondContact N-O 3.49Å; C316-V323 HydrophobicContact CB-CG2 4.33Å; C316-H333 WeakPolarHBondContact CB-NE2 3.41Å; C316-H333 PolarHBondContact SG-NE2 2.99Å; C316-C394 CarbonylContact C-O 3.51Å; C316-C394 WeakPolarHBondContact CA-O 3.26Å; C316-F395 HydrophobicContact CB-CE1 3.94Å; C316-F395 HydrophobicContact CB-CZ 4.46Å
317R71.5Confident60.6Low125 Ų12576.1 Ų76.147%0.47244%0.438SS..THydrogen-bonded Turntrans-72.1-19.4177.6-62.9-176.2177.5-119.3-2.1114.6R393 C394 S396R317-R393 WeakPolarHBondContact CB-O 3.07Å; R317-C394 PolarHBondContact N-O 3.39Å; R317-S396 PolarHBondContact NE-O 2.6Å; R317-S396 PolarHBondContact NH2-O 3.39Å
318L76Confident62.1Low66 Ų6677.3 Ų77.335%0.34643%0.427SS..THydrogen-bonded Turntrans-84.7-39.8-179.4-67-176.3000112.9C316 H337 R393 C394C316-L318 VanDerWaalsContact C-N 3.31Å; C316-L318 PolarHBondContact O-N 3.06Å; C316-L318 PolarHBondContact SG-N 2.93Å; L318-H337 HydrophobicContact CD1-CB 3.62Å; L318-R393 HydrophobicContact CD1-CB 4.03Å; L318-R393 HydrophobicContact CD2-CB 4.15Å; L318-R393 HydrophobicContact CG-CB 4.25Å; L318-C394 VanDerWaalsContact CD1-SG 3.59Å
319C79.2Confident63.7Low43 Ų4375.6 Ų75.629%0.29141%0.413SS..THydrogen-bonded Turntrans-124.85.4-178.974.40000114.7K321 H333 H337C319-K321 PolarHBondContact O-N 3.07Å; C319-H333 PolarHBondContact SG-CE1 3.13Å; C319-H333 PolarHBondContact SG-NE2 3.06Å; C319-H333 VanDerWaalsContact SG-NE2 3.41Å; C319-H337 VanDerWaalsContact CB-CE1 3.44Å; C319-H337 WeakPolarHBondContact CB-CE1 3.47Å; C319-H337 VanDerWaalsContact SG-CE1 3.58Å; C319-H337 PolarHBondContact SG-NE2 3.14Å; C319-H337 VanDerWaalsContact SG-NE2 3.45Å
320L75.8Confident65.4Low84 Ų8466.2 Ų66.244%0.4437%0.369SS..  trans58.515.1174.6-53.1177.1000115C316 A422C316-L320 WeakPolarHBondContact O-CA 3.39Å; C316-L320 PolarHBondContact O-N 3.27Å; L320-A422 HydrophobicContact CB-CB 4.25Å
321K75.8Confident67.2Low142 Ų14263.3 Ų63.362%0.61734%0.343SS*.  trans-77.4139.7177.3-69.5-176.4-179.6-1760109.9V315 C316 C319 V323V315-K321 WeakPolarHBondContact CA-O 3.49Å; C316-K321 PolarHBondContact N-O 3.49Å; C319-K321 PolarHBondContact O-N 3.07Å; K321-V323 WeakPolarHBondContact O-CG2 3.44Å; K321-V323 PolarHBondContact O-N 3.42Å
322S74.5Confident68.4Low52 Ų5261.6 Ų61.636%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-74.1113.4170.9-159.30000109.4K313K313-S322 VanDerWaalsContact CB-OG 3.22Å; K313-S322 WeakPolarHBondContact CB-OG 3.29Å; K313-S322 WeakPolarHBondContact CD-OG 3.01Å
323V68.7Low69.7Low6 Ų660.1 Ų60.14%0.03631%0.313CS..EExtended strand (participates in β ladder)trans-112.1128.7-175.5-169.60000108.8K313 V314 C316 K321 G325 V329 L330 H333 F395K313-V323 CarbonylContact C-O 3.13Å; K313-V323 WeakPolarHBondContact CA-O 3.37Å; V314-V323 PolarHBondContact N-O 3.13Å; V314-V323 WeakPolarHBondContact O-CA 3.45Å; V314-V323 WeakPolarHBondContact O-CB 3.21Å; V314-V323 PolarHBondContact O-N 2.92Å; C316-V323 HydrophobicContact CB-CG2 4.33Å; K321-V323 WeakPolarHBondContact O-CG2 3.44Å; K321-V323 PolarHBondContact O-N 3.42Å; V323-G325 PolarHBondContact O-N 2.96Å; V323-V329 HydrophobicContact CG1-CB 4.47Å; V323-V329 HydrophobicContact CG1-CG1 3.68Å; V323-L330 HydrophobicContact CB-CD2 4.05Å; V323-L330 HydrophobicContact CG1-CD2 3.82Å; V323-H333 HydrophobicContact CG1-CB 3.98Å; V323-H333 HydrophobicContact CG2-CB 4.29Å; V323-H333 VanDerWaalsContact CG2-ND1 3.29Å; V323-H333 WeakPolarHBondContact CG2-ND1 3.28Å; V323-F395 HydrophobicContact CG2-CE1 4.37Å; V323-F395 HydrophobicContact CG2-CZ 4.48Å
324P69.9Low70.6Confident64 Ų6452.6 Ų52.642%0.41628%0.28SS..EExtended strand (participates in β ladder)trans-51.2129170.8-26.332.8000111K326 V329P324-K326 PolarHBondContact O-N 3.25Å; P324-V329 HydrophobicContact CB-CB 4.49Å; P324-V329 HydrophobicContact CB-CG1 4.23Å; P324-V329 HydrophobicContact CG-CG1 4.16Å
325G59.6Low71.4Confident24 Ų2452.2 Ų52.225%0.24728%0.277CS..SBendtrans-67.516.4-176.600000115.3V311 G312 V323V311-G325 WeakPolarHBondContact CG1-O 3.44Å; G312-G325 WeakPolarHBondContact O-CA 3.44Å; G312-G325 PolarHBondContact O-N 2.91Å; V323-G325 PolarHBondContact O-N 2.96Å
326K60.7Low72.2Confident129 Ų12952.4 Ų52.456%0.56128%0.276SS*.  trans-75.1125.9173.6-68-176.1179.7179.80107.3V311 P324 I328 V329 L330V311-K326 HydrophobicContact CB-CG 4.27Å; V311-K326 HydrophobicContact CG1-CB 4.43Å; V311-K326 HydrophobicContact CG1-CG 3.74Å; V311-K326 VanDerWaalsContact CG1-N 3.27Å; V311-K326 HydrophobicContact CG2-CG 4.41Å; P324-K326 PolarHBondContact O-N 3.25Å; K326-I328 VanDerWaalsContact C-N 3.27Å; K326-I328 PolarHBondContact O-N 3.31Å; K326-I328 VanDerWaalsContact O-N 3.14Å; K326-V329 HydrophobicContact CB-CB 4.32Å; K326-V329 HydrophobicContact CB-CG2 3.86Å; K326-V329 WeakPolarHBondContact O-CA 3.48Å; K326-V329 WeakPolarHBondContact O-CB 3.5Å; K326-V329 PolarHBondContact O-N 2.82Å; K326-L330 PolarHBondContact O-N 3.14Å
327L62.7Low72.5Confident36 Ų3654.9 Ų54.919%0.18829%0.287CS..Hα-helixtrans-46.9-49.1-176.8-179.362.8000112.7C298 V329 L330 E331 F391C298-L327 HydrophobicContact CB-CD1 4.49Å; C298-L327 HydrophobicContact CB-CD2 3.73Å; C298-L327 WeakPolarHBondContact SG-CD1 3.26Å; C298-L327 WeakPolarHBondContact SG-CD2 3.18Å; L327-V329 PolarHBondContact O-N 2.85Å; L327-L330 CarbonylContact O-C 3.59Å; L327-L330 WeakPolarHBondContact O-CB 3.49Å; L327-L330 PolarHBondContact O-N 3.41Å; L327-E331 HydrophobicContact CD1-CG 4.04Å; L327-E331 HydrophobicContact CG-CG 4.1Å; L327-E331 VanDerWaalsContact O-CG 3.28Å; L327-E331 WeakPolarHBondContact O-CG 3.38Å; L327-E331 PolarHBondContact O-N 3.03Å; L327-F391 HydrophobicContact CD1-CZ 4.35Å
328I60.4Low72.9Confident96 Ų9649.1 Ų49.149%0.49227%0.266SS..Hα-helixtrans-56.4-37.2179.9-61.8164.3000112.1K326 S332K326-I328 VanDerWaalsContact C-N 3.27Å; K326-I328 PolarHBondContact O-N 3.31Å; K326-I328 VanDerWaalsContact O-N 3.14Å; I328-S332 WeakPolarHBondContact O-CB 2.94Å; I328-S332 PolarHBondContact O-N 3.44Å
329V68.2Low72.9Confident54 Ų5452.1 Ų52.133%0.32729%0.287SS..Hα-helixtrans-76-39.1-179.6-172.90000110.4V323 P324 K326 L327 H333V323-V329 HydrophobicContact CG1-CB 4.47Å; V323-V329 HydrophobicContact CG1-CG1 3.68Å; P324-V329 HydrophobicContact CB-CB 4.49Å; P324-V329 HydrophobicContact CB-CG1 4.23Å; P324-V329 HydrophobicContact CG-CG1 4.16Å; K326-V329 HydrophobicContact CB-CB 4.32Å; K326-V329 HydrophobicContact CB-CG2 3.86Å; K326-V329 WeakPolarHBondContact O-CA 3.48Å; K326-V329 WeakPolarHBondContact O-CB 3.5Å; K326-V329 PolarHBondContact O-N 2.82Å; L327-V329 PolarHBondContact O-N 2.85Å; V329-H333 WeakPolarHBondContact O-CB 3.48Å; V329-H333 PolarHBondContact O-N 3.4Å
330L70Confident72.8Confident15 Ų1553.1 Ų53.18%0.07929%0.293CS..Hα-helixtrans-63.4-44.8172.6-60.5173.3000111.3V314 V323 K326 L327 H333 A334 F391 F395V314-L330 HydrophobicContact CB-CD2 3.98Å; V314-L330 HydrophobicContact CG1-CD2 3.94Å; V314-L330 HydrophobicContact CG2-CD2 4.5Å; V323-L330 HydrophobicContact CB-CD2 4.05Å; V323-L330 HydrophobicContact CG1-CD2 3.82Å; K326-L330 PolarHBondContact O-N 3.14Å; L327-L330 CarbonylContact O-C 3.59Å; L327-L330 WeakPolarHBondContact O-CB 3.49Å; L327-L330 PolarHBondContact O-N 3.41Å; L330-H333 WeakPolarHBondContact O-CB 3.41Å; L330-H333 PolarHBondContact O-N 2.98Å; L330-A334 PolarHBondContact O-N 3.02Å; L330-F391 HydrophobicContact CB-CE2 3.79Å; L330-F391 HydrophobicContact CB-CZ 4.14Å; L330-F395 HydrophobicContact CB-CD2 4.3Å; L330-F395 HydrophobicContact CB-CE2 3.76Å; L330-F395 HydrophobicContact CB-CZ 4.02Å; L330-F395 HydrophobicContact CD2-CD1 4.02Å; L330-F395 HydrophobicContact CD2-CD2 4.47Å; L330-F395 HydrophobicContact CD2-CE1 3.5Å; L330-F395 VanDerWaalsContact CD2-CE1 3.5Å; L330-F395 HydrophobicContact CD2-CE2 4.01Å; L330-F395 HydrophobicContact CD2-CG 4.48Å; L330-F395 HydrophobicContact CD2-CZ 3.48Å; L330-F395 VanDerWaalsContact CD2-CZ 3.48Å; L330-F395 HydrophobicContact CG-CE2 4.47Å; L330-F395 HydrophobicContact CG-CZ 4.36Å; L330-F395 WeakPolarHBondContact O-CE2 3.41Å
331E72.4Confident73Confident17 Ų1751.1 Ų51.18%0.07928%0.282CS..Hα-helixtrans-60.7-47.8177.8-68.4-179.8153.600111.2L327 H333 A334 L335 W387 F391L327-E331 HydrophobicContact CD1-CG 4.04Å; L327-E331 HydrophobicContact CG-CG 4.1Å; L327-E331 VanDerWaalsContact O-CG 3.28Å; L327-E331 WeakPolarHBondContact O-CG 3.38Å; L327-E331 PolarHBondContact O-N 3.03Å; E331-H333 VanDerWaalsContact C-N 3.3Å; E331-H333 PolarHBondContact O-N 2.94Å; E331-A334 PolarHBondContact O-N 2.77Å; E331-L335 WeakPolarHBondContact O-CG 3.23Å; E331-L335 PolarHBondContact O-N 3.4Å; E331-W387 HydrophobicContact CB-CZ2 3.87Å; E331-W387 HydrophobicContact CG-CH2 4.02Å; E331-W387 HydrophobicContact CG-CZ2 3.71Å; E331-F391 HydrophobicContact CG-CE2 4.3Å
332S74Confident72.7Confident43 Ų4344.3 Ų44.330%0.30125%0.253SS..Hα-helixtrans-65.2-33.5176-173.70000112.6I328 N336I328-S332 WeakPolarHBondContact O-CB 2.94Å; I328-S332 PolarHBondContact O-N 3.44Å; S332-N336 PolarHBondContact O-ND2 2.82Å
333H81.3Confident72.8Confident23 Ų2342.8 Ų42.811%0.10624%0.24CC..Hα-helixtrans-65.3-50.7175.4179.591.8000111.4C316 C319 V323 V329 L330 E331 L335 N336 H337 F395C316-H333 WeakPolarHBondContact CB-NE2 3.41Å; C316-H333 PolarHBondContact SG-NE2 2.99Å; C319-H333 PolarHBondContact SG-CE1 3.13Å; C319-H333 PolarHBondContact SG-NE2 3.06Å; C319-H333 VanDerWaalsContact SG-NE2 3.41Å; V323-H333 HydrophobicContact CG1-CB 3.98Å; V323-H333 HydrophobicContact CG2-CB 4.29Å; V323-H333 VanDerWaalsContact CG2-ND1 3.29Å; V323-H333 WeakPolarHBondContact CG2-ND1 3.28Å; V329-H333 WeakPolarHBondContact O-CB 3.48Å; V329-H333 PolarHBondContact O-N 3.4Å; L330-H333 WeakPolarHBondContact O-CB 3.41Å; L330-H333 PolarHBondContact O-N 2.98Å; E331-H333 VanDerWaalsContact C-N 3.3Å; E331-H333 PolarHBondContact O-N 2.94Å; H333-L335 PolarHBondContact O-N 2.93Å; H333-N336 WeakPolarHBondContact O-CB 3.22Å; H333-N336 PolarHBondContact O-N 2.8Å; H333-N336 PolarHBondContact O-ND2 2.76Å; H333-H337 AromaticContact CD2-CD2 3.84Å; H333-H337 AromaticContact CD2-NE2 3.67Å; H333-H337 AromaticContact CE1-NE2 3.73Å; H333-H337 AromaticContact NE2-CD2 3.62Å; H333-H337 AromaticContact NE2-NE2 2.99Å; H333-H337 PolarHBondContact NE2-NE2 3.16Å; H333-F395 HydrophobicContact CB-CZ 4.11Å; H333-F395 AromaticContact CD2-CZ 3.53Å; H333-F395 AromaticContact CG-CZ 3.98Å
334A80.2Confident73.1Confident0 Ų045.3 Ų45.30%025%0.251CS..Hα-helixtrans-59.3-33.9-179.200000112.5L330 E331 N336 H337 F391 F395L330-A334 PolarHBondContact O-N 3.02Å; E331-A334 PolarHBondContact O-N 2.77Å; A334-N336 PolarHBondContact O-N 3.39Å; A334-N336 VanDerWaalsContact O-N 3.16Å; A334-H337 PolarHBondContact O-N 2.78Å; A334-F391 HydrophobicContact CB-CB 4.04Å; A334-F391 HydrophobicContact CB-CD2 3.7Å; A334-F391 HydrophobicContact CB-CG 4.31Å; A334-F395 HydrophobicContact CB-CE2 4.23Å
335L79.2Confident73.6Confident12 Ų1242.2 Ų42.26%0.06323%0.231CC..G310 helixtrans-57.6-27.2175.8-78170.6000114L288 E331 H333 H337 L341 P342 W378 W387L288-L335 HydrophobicContact CD2-CD1 4.16Å; L288-L335 HydrophobicContact CD2-CD2 3.72Å; E331-L335 WeakPolarHBondContact O-CG 3.23Å; E331-L335 PolarHBondContact O-N 3.4Å; H333-L335 PolarHBondContact O-N 2.93Å; L335-H337 PolarHBondContact O-N 3.03Å; L335-L341 WeakPolarHBondContact O-CD2 3.47Å; L335-P342 HydrophobicContact CD2-CG 4.5Å; L335-W378 HydrophobicContact CD2-CH2 3.55Å; L335-W378 HydrophobicContact CD2-CZ2 4.45Å; L335-W378 HydrophobicContact CD2-CZ3 4.13Å; L335-W387 VanDerWaalsContact CD2-CD1 3.45Å
336N81.8Confident74.4Confident70 Ų7042.8 Ų42.837%0.37423%0.231SC..G310 helixtrans-73.2-15.8177.5-54.7-68000113S332 H333 A334 S353S332-N336 PolarHBondContact O-ND2 2.82Å; H333-N336 WeakPolarHBondContact O-CB 3.22Å; H333-N336 PolarHBondContact O-N 2.8Å; H333-N336 PolarHBondContact O-ND2 2.76Å; A334-N336 PolarHBondContact O-N 3.39Å; A334-N336 VanDerWaalsContact O-N 3.16Å; N336-S353 WeakPolarHBondContact OD1-CB 3.31Å; N336-S353 PolarHBondContact OD1-OG 3.07Å
337H81.3Confident75.4Confident51 Ų5140.3 Ų40.324%0.23622%0.221CC..G310 helixtrans-102.9-4.4-178.1-61.9-53.1000112.9L318 C319 H333 A334 L335 C390 C394L318-H337 HydrophobicContact CD1-CB 3.62Å; C319-H337 VanDerWaalsContact CB-CE1 3.44Å; C319-H337 WeakPolarHBondContact CB-CE1 3.47Å; C319-H337 VanDerWaalsContact SG-CE1 3.58Å; C319-H337 PolarHBondContact SG-NE2 3.14Å; C319-H337 VanDerWaalsContact SG-NE2 3.45Å; H333-H337 AromaticContact CD2-CD2 3.84Å; H333-H337 AromaticContact CD2-NE2 3.67Å; H333-H337 AromaticContact CE1-NE2 3.73Å; H333-H337 AromaticContact NE2-CD2 3.62Å; H333-H337 AromaticContact NE2-NE2 2.99Å; H333-H337 PolarHBondContact NE2-NE2 3.16Å; A334-H337 PolarHBondContact O-N 2.78Å; L335-H337 PolarHBondContact O-N 3.03Å; H337-C390 WeakPolarHBondContact CB-SG 3.45Å; H337-C390 PolarHBondContact O-SG 2.94Å; H337-C390 VanDerWaalsContact O-SG 3.35Å; H337-C394 PolarHBondContact CD2-SG 3.24Å
338V78.3Confident76.5Confident5 Ų540.9 Ų40.93%0.0323%0.227CC..  trans-79.9133.5179.2-170.60000109.8P340 L341 W378 L386 C390V338-P340 CarbonylContact O-C 3.49Å; V338-L341 WeakPolarHBondContact O-CD2 3.16Å; V338-W378 HydrophobicContact CB-CH2 4.26Å; V338-W378 HydrophobicContact CB-CZ2 3.71Å; V338-W378 HydrophobicContact CG1-CH2 4.01Å; V338-W378 HydrophobicContact CG1-CZ2 3.3Å; V338-W378 HydrophobicContact CG2-CH2 4.21Å; V338-W378 HydrophobicContact CG2-CZ2 4.17Å; V338-L386 HydrophobicContact CG1-CB 4.42Å; V338-C390 HydrophobicContact CG2-CB 3.66Å
339V76.4Confident77.7Confident129 Ų12940.7 Ų40.778%0.78224%0.24SC*.SBendtrans-122.6127.5174.8-177.30000108.4
340P77.4Confident78.5Confident63 Ų6341.8 Ų41.841%0.40924%0.241SC..SBendcis-68.5158.6-5.230.5-35000112V338 W378V338-P340 CarbonylContact O-C 3.49Å; P340-W378 PolarHBondContact O-NE1 2.98Å
341L80.5Confident79.1Confident42 Ų4243.8 Ų43.822%0.2225%0.253CS..  trans-68.1147.2171.8-74.6174.4000110.5L335 V338 L343L335-L341 WeakPolarHBondContact O-CD2 3.47Å; V338-L341 WeakPolarHBondContact O-CD2 3.16Å; L341-L343 PolarHBondContact O-N 2.97Å
342P69.9Low79.4Confident0 Ų043.2 Ų43.20%025%0.253CS..SBendtrans-68.4-30.8-169.123.3-33000114.3L288 L335 F376 L377 W378L288-P342 HydrophobicContact CD2-CB 4.29Å; L288-P342 HydrophobicContact CD2-CG 4.37Å; L335-P342 HydrophobicContact CD2-CG 4.5Å; P342-F376 HydrophobicContact CB-CD2 4.35Å; P342-F376 HydrophobicContact CB-CE2 3.78Å; P342-F376 HydrophobicContact CB-CZ 4.49Å; P342-F376 WeakPolarHBondContact O-CA 3.47Å; P342-F376 VanDerWaalsContact O-CD2 3.32Å; P342-F376 WeakPolarHBondContact O-CD2 3.36Å; P342-L377 PolarHBondContact O-N 3.35Å; P342-W378 HydrophobicContact CB-CD2 3.77Å; P342-W378 HydrophobicContact CB-CE3 3.97Å; P342-W378 HydrophobicContact CB-CG 4.3Å; P342-W378 HydrophobicContact CB-CH2 4.17Å; P342-W378 HydrophobicContact CB-CZ2 3.89Å; P342-W378 HydrophobicContact CB-CZ3 4.2Å; P342-W378 HydrophobicContact CG-CH2 4.34Å; P342-W378 HydrophobicContact CG-CZ2 4.11Å
343L74.9Confident79.4Confident19 Ų1942.2 Ų42.210%0.09925%0.246CC..EExtended strand (participates in β ladder)trans-114.6136.8-171-55.4168.7000110.4L341 T351 G352 L355 V358 I374 E375 F376L341-L343 PolarHBondContact O-N 2.97Å; L343-T351 CarbonylContact O-C 3.55Å; L343-T351 WeakPolarHBondContact O-CA 3.41Å; L343-T351 WeakPolarHBondContact O-CB 3.16Å; L343-G352 WeakPolarHBondContact CB-O 3.46Å; L343-G352 PolarHBondContact N-O 2.79Å; L343-G352 PolarHBondContact O-N 3.14Å; L343-L355 HydrophobicContact CD1-CB 4.13Å; L343-L355 HydrophobicContact CD1-CD1 4.13Å; L343-L355 HydrophobicContact CD2-CD1 4.47Å; L343-V358 HydrophobicContact CB-CG2 3.73Å; L343-V358 HydrophobicContact CD1-CG2 4.29Å; L343-I374 HydrophobicContact CB-CG2 4.04Å; L343-I374 HydrophobicContact CD2-CG2 3.96Å; L343-E375 CarbonylContact C-O 3.45Å; L343-E375 WeakPolarHBondContact CA-O 3.3Å; L343-F376 HydrophobicContact CD2-CD2 3.96Å
344K76.5Confident78.8Confident59 Ų5945.8 Ų45.826%0.25726%0.261SS..EExtended strand (participates in β ladder)trans-128.9143.3176.6-179.6-175.3161.5-136.70110.7F350 T351 E375 L377K344-F350 CarbonylContact C-O 3.18Å; K344-F350 WeakPolarHBondContact CA-O 3.36Å; K344-T351 HydrophobicContact CB-CG2 4.02Å; K344-T351 HydrophobicContact CG-CG2 4.04Å; K344-E375 HydrophobicContact CB-CB 4.14Å; K344-E375 WeakPolarHBondContact CD-OE2 3.44Å; K344-E375 PolarHBondContact N-O 3.28Å; K344-E375 IonicContact NZ-OE2 2.8Å; K344-E375 PolarHBondContact NZ-OE2 3.45Å; K344-E375 PolarHBondContact O-N 2.99Å; K344-L377 HydrophobicContact CB-CD1 3.71Å; K344-L377 HydrophobicContact CB-CD2 4.22Å; K344-L377 HydrophobicContact CB-CG 3.71Å; K344-L377 HydrophobicContact CD-CD1 4.05Å; K344-L377 HydrophobicContact CD-CD2 3.75Å; K344-L377 HydrophobicContact CD-CG 4.13Å; K344-L377 HydrophobicContact CG-CD1 4.32Å
345C79.4Confident78.3Confident0 Ų047.8 Ų47.80%027%0.271CS..EExtended strand (participates in β ladder)trans-68134.7170.8-176.60000110.2H347 F350 H361 H366C345-H347 PolarHBondContact O-N 2.96Å; C345-H347 PolarHBondContact SG-N 2.78Å; C345-H347 VanDerWaalsContact SG-N 3.42Å; C345-F350 HydrophobicContact CB-CB 3.97Å; C345-F350 PolarHBondContact N-O 2.92Å; C345-H361 VanDerWaalsContact SG-CD2 3.54Å; C345-H361 PolarHBondContact SG-NE2 3.41Å; C345-H366 PolarHBondContact SG-CD2 2.97Å
346C77.5Confident77.9Confident36 Ų3650.7 Ų50.724%0.24329%0.293CS..SBendtrans-70.3-16.1176.4640000113.6R373 E375C346-R373 HydrophobicContact CB-CB 4.24Å; C346-R373 PolarHBondContact SG-O 3.22Å; C346-E375 HydrophobicContact CB-CG 4.29Å
347H80.9Confident77.6Confident77 Ų7749.4 Ų49.436%0.35629%0.291SS..SBendtrans-101.3-17.6-175-64.5-61.3000114.2C345 H366 A369 E371C345-H347 PolarHBondContact O-N 2.96Å; C345-H347 PolarHBondContact SG-N 2.78Å; C345-H347 VanDerWaalsContact SG-N 3.42Å; H347-H366 WeakPolarHBondContact CB-CE1 3.44Å; H347-H366 WeakPolarHBondContact CB-ND1 3.49Å; H347-H366 WeakPolarHBondContact CB-NE2 3.36Å; H347-H366 AromaticContact CD2-CG 3.77Å; H347-H366 AromaticContact CG-CG 3.87Å; H347-H366 AromaticContact CG-ND1 3.94Å; H347-A369 WeakPolarHBondContact NE2-CB 3.46Å; H347-E371 PolarHBondContact CE1-O 3.07Å; H347-E371 PolarHBondContact NE2-O 2.88Å
348C85.9Confident77.1Confident47 Ų4747 Ų4732%0.31828%0.28SS..SBendtrans-155178.8-178.374.70000112.2F350 H361 H366C348-F350 PolarHBondContact O-N 3.06Å; C348-F350 VanDerWaalsContact O-N 3.08Å; C348-F350 WeakPolarHBondContact SG-CB 3.24Å; C348-F350 PolarHBondContact SG-N 3.34Å; C348-H361 PolarHBondContact SG-CE1 3.49Å; C348-H361 PolarHBondContact SG-NE2 2.96Å; C348-H366 PolarHBondContact SG-NE2 3.25Å
349A85.9Confident76.9Confident92 Ų9253.6 Ų53.676%0.7631%0.305SS*.SBendtrans-73.17.2-179.300000114.7T351A349-T351 PolarHBondContact O-N 3.5Å
350F85.3Confident77.2Confident77 Ų7750 Ų5034%0.33829%0.285SS..  trans-66.3130-179.6-176.3-93.2000111.4K344 C345 C348 V358 H361K344-F350 CarbonylContact C-O 3.18Å; K344-F350 WeakPolarHBondContact CA-O 3.36Å; C345-F350 HydrophobicContact CB-CB 3.97Å; C345-F350 PolarHBondContact N-O 2.92Å; C348-F350 PolarHBondContact O-N 3.06Å; C348-F350 VanDerWaalsContact O-N 3.08Å; C348-F350 WeakPolarHBondContact SG-CB 3.24Å; C348-F350 PolarHBondContact SG-N 3.34Å; F350-V358 HydrophobicContact CD1-CG2 4.45Å; F350-V358 HydrophobicContact CE1-CB 4.48Å; F350-V358 HydrophobicContact CE1-CG2 4.07Å; F350-H361 VanDerWaalsContact CB-CE1 3.49Å; F350-H361 WeakPolarHBondContact CB-CE1 3.5Å; F350-H361 WeakPolarHBondContact CB-NE2 3.46Å; F350-H361 HydrophobicContact CD1-CB 3.89Å; F350-H361 AromaticContact CD1-CD2 3.62Å; F350-H361 AromaticContact CD1-CG 3.53Å; F350-H361 AromaticContact CD1-ND1 3.98Å; F350-H361 AromaticContact CD2-ND1 3.71Å; F350-H361 HydrophobicContact CE1-CB 3.71Å; F350-H361 AromaticContact CE1-CG 3.88Å; F350-H361 HydrophobicContact CG-CB 4.37Å; F350-H361 AromaticContact CG-CD2 3.78Å; F350-H361 AromaticContact CG-CE1 3.69Å; F350-H361 AromaticContact CG-CG 3.65Å; F350-H361 AromaticContact CG-ND1 3.59Å; F350-H361 AromaticContact CG-NE2 3.82Å; F350-H361 HydrophobicContact CZ-CB 4.04Å
351T82.9Confident77.6Confident57 Ų5748.1 Ų48.135%0.3527%0.271SS..EExtended strand (participates in β ladder)trans-125.5152.3175.759.70000111.2L343 K344 A349 L377L343-T351 CarbonylContact O-C 3.55Å; L343-T351 WeakPolarHBondContact O-CA 3.41Å; L343-T351 WeakPolarHBondContact O-CB 3.16Å; K344-T351 HydrophobicContact CB-CG2 4.02Å; K344-T351 HydrophobicContact CG-CG2 4.04Å; A349-T351 PolarHBondContact O-N 3.5Å; T351-L377 HydrophobicContact CG2-CD1 3.83Å
352G78.3Confident77.5Confident6 Ų646.3 Ų46.36%0.06226%0.261CS..EExtended strand (participates in β ladder)trans-149.4149.7-174.900000113.9L343L343-G352 WeakPolarHBondContact CB-O 3.46Å; L343-G352 PolarHBondContact N-O 2.79Å; L343-G352 PolarHBondContact O-N 3.14Å
353S72.8Confident78Confident22 Ų2249 Ų4915%0.15428%0.28CS..SBendtrans-82.7-21.9172.156.80000113N336N336-S353 WeakPolarHBondContact OD1-CB 3.31Å; N336-S353 PolarHBondContact OD1-OG 3.07Å
354K69.9Low78.6Confident97 Ų9754.4 Ų54.442%0.42231%0.305SS..SBendtrans-121.3135.6-174.9-66-178.6-177.3177.50111.1S356 A357 V358K354-S356 VanDerWaalsContact C-N 3.29Å; K354-S356 PolarHBondContact O-N 3.15Å; K354-A357 HydrophobicContact CB-CB 4.26Å; K354-A357 WeakPolarHBondContact O-CB 3.41Å; K354-A357 PolarHBondContact O-N 2.8Å; K354-A357 VanDerWaalsContact O-N 3.15Å; K354-V358 PolarHBondContact O-N 3.14Å
355L69.3Low79.2Confident42 Ų4255.4 Ų55.422%0.2232%0.316CS..Hα-helixtrans-61.2-37.3176.9-168.670.4000112.6L289 L343 A357 V358 R359 I374L289-L355 HydrophobicContact CD2-CD2 3.96Å; L343-L355 HydrophobicContact CD1-CB 4.13Å; L343-L355 HydrophobicContact CD1-CD1 4.13Å; L343-L355 HydrophobicContact CD2-CD1 4.47Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.37Å; L355-V358 PolarHBondContact O-N 2.92Å; L355-R359 VanDerWaalsContact CD2-CZ 3.43Å; L355-R359 WeakPolarHBondContact O-CB 3.27Å; L355-R359 VanDerWaalsContact O-CG 3.31Å; L355-R359 WeakPolarHBondContact O-CG 3.29Å; L355-R359 PolarHBondContact O-N 2.75Å; L355-I374 HydrophobicContact CD1-CD1 3.59Å
356S70.6Confident79.5Confident74 Ų7457.3 Ų57.352%0.51733%0.325SS..Hα-helixtrans-61.8-38.2176.353.50000112.4K354 S360K354-S356 VanDerWaalsContact C-N 3.29Å; K354-S356 PolarHBondContact O-N 3.15Å; S356-S360 WeakPolarHBondContact O-CB 3.49Å; S356-S360 PolarHBondContact O-N 3.49Å; S356-S360 PolarHBondContact O-OG 3.27Å
357A75.6Confident79.5Confident42 Ų4262.1 Ų62.135%0.34734%0.342SS..Hα-helixtrans-67.3-46.4179.400000111.3K354 L355 R359 S360 H361K354-A357 HydrophobicContact CB-CB 4.26Å; K354-A357 WeakPolarHBondContact O-CB 3.41Å; K354-A357 PolarHBondContact O-N 2.8Å; K354-A357 VanDerWaalsContact O-N 3.15Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.37Å; A357-R359 PolarHBondContact O-N 3.49Å; A357-S360 PolarHBondContact O-N 2.87Å; A357-H361 WeakPolarHBondContact O-CB 3.46Å; A357-H361 PolarHBondContact O-N 2.89Å
358V71.2Confident79.3Confident0 Ų069.3 Ų69.30%037%0.367CS..Hα-helixtrans-67.3-37.2178-173.10000111.7L343 F350 K354 L355 H361 I362 I374L343-V358 HydrophobicContact CB-CG2 3.73Å; L343-V358 HydrophobicContact CD1-CG2 4.29Å; F350-V358 HydrophobicContact CD1-CG2 4.45Å; F350-V358 HydrophobicContact CE1-CB 4.48Å; F350-V358 HydrophobicContact CE1-CG2 4.07Å; K354-V358 PolarHBondContact O-N 3.14Å; L355-V358 PolarHBondContact O-N 2.92Å; V358-H361 WeakPolarHBondContact O-CB 3.37Å; V358-H361 PolarHBondContact O-N 3.02Å; V358-I362 HydrophobicContact CG1-CD1 4.08Å; V358-I362 WeakPolarHBondContact O-CG1 3.45Å; V358-I362 PolarHBondContact O-N 3.35Å; V358-I374 HydrophobicContact CB-CD1 4.26Å; V358-I374 HydrophobicContact CG1-CD1 4.06Å; V358-I374 HydrophobicContact CG1-CG1 3.9Å; V358-I374 HydrophobicContact CG1-CG2 4Å
359R74.7Confident78.5Confident145 Ų14568.2 Ų68.255%0.54736%0.362SS..Hα-helixtrans-63.2-44.9173.9-77.5178.6176.9164.9-1.7112.6L355 A357 H361 I362 S363 I374L355-R359 VanDerWaalsContact CD2-CZ 3.43Å; L355-R359 WeakPolarHBondContact O-CB 3.27Å; L355-R359 VanDerWaalsContact O-CG 3.31Å; L355-R359 WeakPolarHBondContact O-CG 3.29Å; L355-R359 PolarHBondContact O-N 2.75Å; A357-R359 PolarHBondContact O-N 3.49Å; R359-H361 VanDerWaalsContact C-N 3.33Å; R359-I362 PolarHBondContact O-N 3.25Å; R359-S363 PolarHBondContact O-N 3.4Å; R359-S363 PolarHBondContact O-OG 3.13Å; R359-I374 HydrophobicContact CG-CD1 3.85Å
360S82.8Confident77.2Confident53 Ų5373.5 Ų73.537%0.37137%0.37SS..Hα-helixtrans-62.5-45.3178.8-52.60000110.1S356 A357 I362 S363 E364S356-S360 WeakPolarHBondContact O-CB 3.49Å; S356-S360 PolarHBondContact O-N 3.49Å; S356-S360 PolarHBondContact O-OG 3.27Å; A357-S360 PolarHBondContact O-N 2.87Å; S360-I362 PolarHBondContact O-N 2.77Å; S360-S363 WeakPolarHBondContact CA-OG 3.42Å; S360-S363 PolarHBondContact O-N 3.28Å; S360-S363 PolarHBondContact O-OG 2.99Å; S360-E364 WeakPolarHBondContact O-CB 3.18Å; S360-E364 VanDerWaalsContact O-CG 3.3Å; S360-E364 WeakPolarHBondContact O-CG 3.49Å; S360-E364 PolarHBondContact O-N 2.72Å
361H84.1Confident75.9Confident23 Ų2373.6 Ų73.611%0.10637%0.372CS..Hα-helixtrans-53-56.6171.2166.780.4000111.8C345 C348 F350 A357 V358 R359 S363 E364 T365 H366C345-H361 VanDerWaalsContact SG-CD2 3.54Å; C345-H361 PolarHBondContact SG-NE2 3.41Å; C348-H361 PolarHBondContact SG-CE1 3.49Å; C348-H361 PolarHBondContact SG-NE2 2.96Å; F350-H361 VanDerWaalsContact CB-CE1 3.49Å; F350-H361 WeakPolarHBondContact CB-CE1 3.5Å; F350-H361 WeakPolarHBondContact CB-NE2 3.46Å; F350-H361 HydrophobicContact CD1-CB 3.89Å; F350-H361 AromaticContact CD1-CD2 3.62Å; F350-H361 AromaticContact CD1-CG 3.53Å; F350-H361 AromaticContact CD1-ND1 3.98Å; F350-H361 AromaticContact CD2-ND1 3.71Å; F350-H361 HydrophobicContact CE1-CB 3.71Å; F350-H361 AromaticContact CE1-CG 3.88Å; F350-H361 HydrophobicContact CG-CB 4.37Å; F350-H361 AromaticContact CG-CD2 3.78Å; F350-H361 AromaticContact CG-CE1 3.69Å; F350-H361 AromaticContact CG-CG 3.65Å; F350-H361 AromaticContact CG-ND1 3.59Å; F350-H361 AromaticContact CG-NE2 3.82Å; F350-H361 HydrophobicContact CZ-CB 4.04Å; A357-H361 WeakPolarHBondContact O-CB 3.46Å; A357-H361 PolarHBondContact O-N 2.89Å; V358-H361 WeakPolarHBondContact O-CB 3.37Å; V358-H361 PolarHBondContact O-N 3.02Å; R359-H361 VanDerWaalsContact C-N 3.33Å; H361-S363 VanDerWaalsContact C-N 3.28Å; H361-S363 PolarHBondContact O-N 3.18Å; H361-E364 PolarHBondContact O-N 3.07Å; H361-T365 PolarHBondContact CE1-OG1 3.38Å; H361-T365 PolarHBondContact ND1-OG1 3.09Å; H361-T365 PolarHBondContact NE2-OG1 3.45Å; H361-T365 PolarHBondContact O-N 3.46Å; H361-T365 PolarHBondContact O-OG1 3.03Å; H361-H366 AromaticContact CE1-NE2 3.86Å; H361-H366 AromaticContact NE2-CD2 3.57Å; H361-H366 AromaticContact NE2-NE2 3.33Å; H361-H366 PolarHBondContact NE2-NE2 3.15Å
362I78.5Confident75Confident4 Ų477.7 Ų77.72%0.02139%0.385CS..Hα-helixtrans-56.8-41.7179.5-67.7166.5000111.6V358 R359 S360 E364 H366 K372 R373 I374V358-I362 HydrophobicContact CG1-CD1 4.08Å; V358-I362 WeakPolarHBondContact O-CG1 3.45Å; V358-I362 PolarHBondContact O-N 3.35Å; R359-I362 PolarHBondContact O-N 3.25Å; S360-I362 PolarHBondContact O-N 2.77Å; I362-E364 VanDerWaalsContact C-N 3.33Å; I362-E364 PolarHBondContact O-N 3.28Å; I362-H366 HydrophobicContact CG2-CB 4.44Å; I362-H366 CarbonylContact O-C 3.58Å; I362-H366 VanDerWaalsContact O-CA 3.29Å; I362-H366 WeakPolarHBondContact O-CA 3.35Å; I362-H366 WeakPolarHBondContact O-CB 3.4Å; I362-H366 PolarHBondContact O-N 3.35Å; I362-K372 HydrophobicContact CG2-CB 3.97Å; I362-K372 HydrophobicContact CG2-CD 4.47Å; I362-K372 HydrophobicContact CG2-CG 3.84Å; I362-R373 WeakPolarHBondContact CD1-O 3.34Å; I362-I374 HydrophobicContact CD1-CD1 4.21Å; I362-I374 HydrophobicContact CD1-CG1 3.51Å
363S82.1Confident74.2Confident56 Ų5684.6 Ų84.639%0.39241%0.409SS..Hα-helixtrans-69.4-28.9179.457.50000114R359 S360 H361 K367R359-S363 PolarHBondContact O-N 3.4Å; R359-S363 PolarHBondContact O-OG 3.13Å; S360-S363 WeakPolarHBondContact CA-OG 3.42Å; S360-S363 PolarHBondContact O-N 3.28Å; S360-S363 PolarHBondContact O-OG 2.99Å; H361-S363 VanDerWaalsContact C-N 3.28Å; H361-S363 PolarHBondContact O-N 3.18Å; S363-K367 WeakPolarHBondContact O-CG 2.95Å
364E87.2Confident73.9Confident133 Ų13385.9 Ų85.962%0.62141%0.414SS*.Hα-helixtrans-93.9-43.5-174.8-71.9170.5-165.900112.3S360 H361 I362 K367S360-E364 WeakPolarHBondContact O-CB 3.18Å; S360-E364 VanDerWaalsContact O-CG 3.3Å; S360-E364 WeakPolarHBondContact O-CG 3.49Å; S360-E364 PolarHBondContact O-N 2.72Å; H361-E364 PolarHBondContact O-N 3.07Å; I362-E364 VanDerWaalsContact C-N 3.33Å; I362-E364 PolarHBondContact O-N 3.28Å; E364-K367 VanDerWaalsContact O-CE 3.3Å; E364-K367 WeakPolarHBondContact O-CE 3.49Å
365T87.6Confident73.9Confident81 Ų8185 Ų8550%0.49741%0.411SS..Hα-helixtrans-91.9-30.5-177.161.70000112.9H361H361-T365 PolarHBondContact CE1-OG1 3.38Å; H361-T365 PolarHBondContact ND1-OG1 3.09Å; H361-T365 PolarHBondContact NE2-OG1 3.45Å; H361-T365 PolarHBondContact O-N 3.46Å; H361-T365 PolarHBondContact O-OG1 3.03Å
366H85.5Confident73.9Confident39 Ų3987.5 Ų87.518%0.18142%0.42CS..  trans-11642.5-177.1-56-63.7000111.6C345 H347 C348 H361 I362 Y368 A369C345-H366 PolarHBondContact SG-CD2 2.97Å; H347-H366 WeakPolarHBondContact CB-CE1 3.44Å; H347-H366 WeakPolarHBondContact CB-ND1 3.49Å; H347-H366 WeakPolarHBondContact CB-NE2 3.36Å; H347-H366 AromaticContact CD2-CG 3.77Å; H347-H366 AromaticContact CG-CG 3.87Å; H347-H366 AromaticContact CG-ND1 3.94Å; C348-H366 PolarHBondContact SG-NE2 3.25Å; H361-H366 AromaticContact CE1-NE2 3.86Å; H361-H366 AromaticContact NE2-CD2 3.57Å; H361-H366 AromaticContact NE2-NE2 3.33Å; H361-H366 PolarHBondContact NE2-NE2 3.15Å; I362-H366 HydrophobicContact CG2-CB 4.44Å; I362-H366 CarbonylContact O-C 3.58Å; I362-H366 VanDerWaalsContact O-CA 3.29Å; I362-H366 WeakPolarHBondContact O-CA 3.35Å; I362-H366 WeakPolarHBondContact O-CB 3.4Å; I362-H366 PolarHBondContact O-N 3.35Å; H366-Y368 PolarHBondContact O-N 3.43Å; H366-Y368 VanDerWaalsContact O-N 3.14Å; H366-A369 HydrophobicContact CB-CB 3.93Å; H366-A369 WeakPolarHBondContact O-CB 3.46Å; H366-A369 PolarHBondContact O-N 2.81Å
367K78.2Confident73.7Confident138 Ų13887.3 Ų87.360%0.641%0.413SS*.THydrogen-bonded Turntrans-47.8-42.6-178.6-75.4175.3-178.1-179.60113.7S363 E364S363-K367 WeakPolarHBondContact O-CG 2.95Å; E364-K367 VanDerWaalsContact O-CE 3.3Å; E364-K367 WeakPolarHBondContact O-CE 3.49Å
368Y77.6Confident73.3Confident227 Ų22785.8 Ų85.889%0.8940%0.399SS*.THydrogen-bonded Turntrans-95.12.4-175.3-54-68.4000114.1H366 H370H366-Y368 PolarHBondContact O-N 3.43Å; H366-Y368 VanDerWaalsContact O-N 3.14Å; Y368-H370 PolarHBondContact O-N 2.95Å
369A67.5Low72.9Confident25 Ų2589.8 Ų89.821%0.20742%0.42CS..  trans-68.4124.817700000110H347 H366 E371H347-A369 WeakPolarHBondContact NE2-CB 3.46Å; H366-A369 HydrophobicContact CB-CB 3.93Å; H366-A369 WeakPolarHBondContact O-CB 3.46Å; H366-A369 PolarHBondContact O-N 2.81Å; A369-E371 PolarHBondContact O-N 2.99Å
370H59Low71.9Confident202 Ų20289.5 Ų89.594%0.93543%0.429SS*.SBendtrans-61.2-17.2177.6-166.7-91.8000112.3Y368Y368-H370 PolarHBondContact O-N 2.95Å
371E59Low70.1Confident79 Ų7991.6 Ų91.637%0.36944%0.443SS..  trans-132.8116.8-172.4-170.3159.4-12800112.4H347 A369 R373H347-E371 PolarHBondContact CE1-O 3.07Å; H347-E371 PolarHBondContact NE2-O 2.88Å; A369-E371 PolarHBondContact O-N 2.99Å; E371-R373 HydrophobicContact CG-CB 4.19Å; E371-R373 HydrophobicContact CG-CG 3.67Å; E371-R373 PolarHBondContact O-N 3.45Å; E371-R373 IonicContact OE1-CZ 2.94Å; E371-R373 IonicContact OE1-NE 3.16Å; E371-R373 PolarHBondContact OE1-NE 3.16Å; E371-R373 IonicContact OE1-NH1 2.64Å; E371-R373 PolarHBondContact OE1-NH1 3.41Å; E371-R373 IonicContact OE1-NH2 3.14Å; E371-R373 PolarHBondContact OE1-NH2 3.27Å; E371-R373 IonicContact OE2-CZ 3.67Å; E371-R373 IonicContact OE2-NE 3.72Å; E371-R373 PolarHBondContact OE2-NE 3.19Å; E371-R373 VanDerWaalsContact OE2-NE 3.16Å; E371-R373 IonicContact OE2-NH2 2.76Å; E371-R373 PolarHBondContact OE2-NH2 3.41Å
372K63.4Low68.7Low144 Ų14494.8 Ų94.863%0.62646%0.46SS*.  trans-99.853.9-179.1-62.2-177.8179.9175.80111.2I362I362-K372 HydrophobicContact CG2-CB 3.97Å; I362-K372 HydrophobicContact CG2-CD 4.47Å; I362-K372 HydrophobicContact CG2-CG 3.84Å
373R61.5Low67.9Low151 Ų15196 Ų9657%0.5747%0.465SS*.  trans-84151.5178.9-77.5-164.2-71.2-147.70.5111.6C346 I362 E371C346-R373 HydrophobicContact CB-CB 4.24Å; C346-R373 PolarHBondContact SG-O 3.22Å; I362-R373 WeakPolarHBondContact CD1-O 3.34Å; E371-R373 HydrophobicContact CG-CB 4.19Å; E371-R373 HydrophobicContact CG-CG 3.67Å; E371-R373 PolarHBondContact O-N 3.45Å; E371-R373 IonicContact OE1-CZ 2.94Å; E371-R373 IonicContact OE1-NE 3.16Å; E371-R373 PolarHBondContact OE1-NE 3.16Å; E371-R373 IonicContact OE1-NH1 2.64Å; E371-R373 PolarHBondContact OE1-NH1 3.41Å; E371-R373 IonicContact OE1-NH2 3.14Å; E371-R373 PolarHBondContact OE1-NH2 3.27Å; E371-R373 IonicContact OE2-CZ 3.67Å; E371-R373 IonicContact OE2-NE 3.72Å; E371-R373 PolarHBondContact OE2-NE 3.19Å; E371-R373 VanDerWaalsContact OE2-NE 3.16Å; E371-R373 IonicContact OE2-NH2 2.76Å; E371-R373 PolarHBondContact OE2-NH2 3.41Å
374I66.7Low66.8Low49 Ų4998 Ų9825%0.25147%0.466SS..EExtended strand (participates in β ladder)trans-124.3125.4175.7-63.6172.1000106.2L343 L355 V358 R359 I362L343-I374 HydrophobicContact CB-CG2 4.04Å; L343-I374 HydrophobicContact CD2-CG2 3.96Å; L355-I374 HydrophobicContact CD1-CD1 3.59Å; V358-I374 HydrophobicContact CB-CD1 4.26Å; V358-I374 HydrophobicContact CG1-CD1 4.06Å; V358-I374 HydrophobicContact CG1-CG1 3.9Å; V358-I374 HydrophobicContact CG1-CG2 4Å; R359-I374 HydrophobicContact CG-CD1 3.85Å; I362-I374 HydrophobicContact CD1-CD1 4.21Å; I362-I374 HydrophobicContact CD1-CG1 3.51Å
375E68.8Low65.7Low79 Ų7995 Ų9537%0.36946%0.46SS..EExtended strand (participates in β ladder)trans-84.3134.8177.2-68.9178.1-18000109.5L343 K344 C346L343-E375 CarbonylContact C-O 3.45Å; L343-E375 WeakPolarHBondContact CA-O 3.3Å; K344-E375 HydrophobicContact CB-CB 4.14Å; K344-E375 WeakPolarHBondContact CD-OE2 3.44Å; K344-E375 PolarHBondContact N-O 3.28Å; K344-E375 IonicContact NZ-OE2 2.8Å; K344-E375 PolarHBondContact NZ-OE2 3.45Å; K344-E375 PolarHBondContact O-N 2.99Å; C346-E375 HydrophobicContact CB-CG 4.29Å
376F69.9Low64.7Low93 Ų9394.3 Ų94.341%0.40845%0.453SS..EExtended strand (participates in β ladder)trans-97.4115.8171.7-169.4-106.8000108.3L288 P342 L343 W378L288-F376 HydrophobicContact CD1-CE2 4.05Å; L288-F376 HydrophobicContact CD1-CZ 3.75Å; P342-F376 HydrophobicContact CB-CD2 4.35Å; P342-F376 HydrophobicContact CB-CE2 3.78Å; P342-F376 HydrophobicContact CB-CZ 4.49Å; P342-F376 WeakPolarHBondContact O-CA 3.47Å; P342-F376 VanDerWaalsContact O-CD2 3.32Å; P342-F376 WeakPolarHBondContact O-CD2 3.36Å; L343-F376 HydrophobicContact CD2-CD2 3.96Å; F376-W378 HydrophobicContact CD1-CB 4Å; F376-W378 WeakPolarHBondContact CD1-O 3.37Å; F376-W378 HydrophobicContact CE1-CB 3.4Å; F376-W378 VanDerWaalsContact CE1-CB 3.4Å; F376-W378 HydrophobicContact CE1-CG 4.46Å; F376-W378 WeakPolarHBondContact CE1-O 3.49Å; F376-W378 HydrophobicContact CE2-CB 4.47Å; F376-W378 HydrophobicContact CZ-CB 3.67Å; F376-W378 HydrophobicContact CZ-CD2 4.32Å; F376-W378 AromaticContact CZ-CE3 3.92Å; F376-W378 HydrophobicContact CZ-CE3 3.92Å; F376-W378 HydrophobicContact CZ-CG 4.29Å
377L66.5Low63.9Low71 Ų7193.8 Ų93.837%0.37245%0.45SS..  trans-84.8-12.6-171.5-77.4178.9000114.3P342 K344 T351P342-L377 PolarHBondContact O-N 3.35Å; K344-L377 HydrophobicContact CB-CD1 3.71Å; K344-L377 HydrophobicContact CB-CD2 4.22Å; K344-L377 HydrophobicContact CB-CG 3.71Å; K344-L377 HydrophobicContact CD-CD1 4.05Å; K344-L377 HydrophobicContact CD-CD2 3.75Å; K344-L377 HydrophobicContact CD-CG 4.13Å; K344-L377 HydrophobicContact CG-CD1 4.32Å; T351-L377 HydrophobicContact CG2-CD1 3.83Å
378W68.4Low63.3Low10 Ų1091.7 Ų91.74%0.03844%0.441CS..SBendtrans-85123.4-173.2-84.311.3000110.6L288 L335 V338 P340 P342 F376 D380 W383 W387L288-W378 HydrophobicContact CD1-CE3 4.22Å; L288-W378 HydrophobicContact CD1-CZ3 4.13Å; L288-W378 HydrophobicContact CD2-CE3 4.47Å; L288-W378 HydrophobicContact CD2-CH2 4.49Å; L288-W378 HydrophobicContact CD2-CZ3 3.89Å; L288-W378 HydrophobicContact CG-CZ3 4.47Å; L335-W378 HydrophobicContact CD2-CH2 3.55Å; L335-W378 HydrophobicContact CD2-CZ2 4.45Å; L335-W378 HydrophobicContact CD2-CZ3 4.13Å; V338-W378 HydrophobicContact CB-CH2 4.26Å; V338-W378 HydrophobicContact CB-CZ2 3.71Å; V338-W378 HydrophobicContact CG1-CH2 4.01Å; V338-W378 HydrophobicContact CG1-CZ2 3.3Å; V338-W378 HydrophobicContact CG2-CH2 4.21Å; V338-W378 HydrophobicContact CG2-CZ2 4.17Å; P340-W378 PolarHBondContact O-NE1 2.98Å; P342-W378 HydrophobicContact CB-CD2 3.77Å; P342-W378 HydrophobicContact CB-CE3 3.97Å; P342-W378 HydrophobicContact CB-CG 4.3Å; P342-W378 HydrophobicContact CB-CH2 4.17Å; P342-W378 HydrophobicContact CB-CZ2 3.89Å; P342-W378 HydrophobicContact CB-CZ3 4.2Å; P342-W378 HydrophobicContact CG-CH2 4.34Å; P342-W378 HydrophobicContact CG-CZ2 4.11Å; F376-W378 HydrophobicContact CD1-CB 4Å; F376-W378 WeakPolarHBondContact CD1-O 3.37Å; F376-W378 HydrophobicContact CE1-CB 3.4Å; F376-W378 VanDerWaalsContact CE1-CB 3.4Å; F376-W378 HydrophobicContact CE1-CG 4.46Å; F376-W378 WeakPolarHBondContact CE1-O 3.49Å; F376-W378 HydrophobicContact CE2-CB 4.47Å; F376-W378 HydrophobicContact CZ-CB 3.67Å; F376-W378 HydrophobicContact CZ-CD2 4.32Å; F376-W378 AromaticContact CZ-CE3 3.92Å; F376-W378 HydrophobicContact CZ-CE3 3.92Å; F376-W378 HydrophobicContact CZ-CG 4.29Å; W378-D380 PolarHBondContact O-N 3.19Å; W378-W383 HydrophobicContact CB-CB 3.56Å; W378-W383 HydrophobicContact CB-CG 4.28Å; W378-W383 HydrophobicContact CD2-CB 3.72Å; W378-W383 HydrophobicContact CE3-CB 3.51Å; W378-W383 AromaticContact CE3-CD2 3.79Å; W378-W383 HydrophobicContact CE3-CD2 3.79Å; W378-W383 AromaticContact CE3-CE3 3.4Å; W378-W383 HydrophobicContact CE3-CE3 3.4Å; W378-W383 AromaticContact CE3-CG 3.9Å; W378-W383 HydrophobicContact CE3-CG 3.9Å; W378-W383 HydrophobicContact CE3-CZ3 4.25Å; W378-W383 HydrophobicContact CG-CB 3.77Å; W378-W383 HydrophobicContact CZ3-CB 4.41Å; W378-W383 HydrophobicContact CZ3-CD2 4.23Å; W378-W383 AromaticContact CZ3-CE3 3.36Å; W378-W383 HydrophobicContact CZ3-CE3 3.36Å; W378-W383 AromaticContact CZ3-CZ3 3.92Å; W378-W383 HydrophobicContact CZ3-CZ3 3.92Å; W378-W387 HydrophobicContact CH2-CB 4.18Å; W378-W387 HydrophobicContact CZ3-CB 4.35Å
379D62Low62.8Low84 Ų8489.1 Ų89.145%0.44943%0.429SS..  trans-58.9129.4171.6171.418.3000110.2C381 N382 W383D379-C381 PolarHBondContact O-N 3.4Å; D379-C381 PolarHBondContact OD1-N 3.11Å; D379-C381 PolarHBondContact OD1-SG 3.27Å; D379-N382 PolarHBondContact O-N 2.93Å; D379-N382 PolarHBondContact OD2-ND2 2.89Å; D379-W383 VanDerWaalsContact O-CD1 3.28Å; D379-W383 PolarHBondContact O-N 3.17Å
380D52.5Low63Low139 Ų13988.4 Ų88.474%0.74342%0.423SS*.THydrogen-bonded Turntrans-50.5-26.9-179.6-79.3-29.5000112.7W378W378-D380 PolarHBondContact O-N 3.19Å
381C45.9Very low63.7Low97 Ų9779.9 Ų79.966%0.65538%0.383SS*.THydrogen-bonded Turntrans-86.5-33.3-173.3-45.90000113.7D379D379-C381 PolarHBondContact O-N 3.4Å; D379-C381 PolarHBondContact OD1-N 3.11Å; D379-C381 PolarHBondContact OD1-SG 3.27Å
382N55.3Low64Low89 Ų8980.5 Ų80.548%0.47639%0.386SS..THydrogen-bonded Turntrans-121.4-16-160.6-73.2-47.2000115.2D379 K384 S385 L386D379-N382 PolarHBondContact O-N 2.93Å; D379-N382 PolarHBondContact OD2-ND2 2.89Å; N382-K384 PolarHBondContact O-N 3.45Å; N382-S385 WeakPolarHBondContact O-CB 3.29Å; N382-S385 PolarHBondContact O-N 3.04Å; N382-S385 VanDerWaalsContact O-N 3.11Å; N382-L386 PolarHBondContact O-N 3.33Å
383W61.5Low64.3Low29 Ų2981.4 Ų81.411%0.1139%0.385CS..Hα-helixtrans-61.4-33.1-172.377.1-99.3000114.2L286 L288 W378 D379 S385 L386 W387L286-W383 HydrophobicContact CB-CH2 3.23Å; L286-W383 HydrophobicContact CB-CZ2 4.28Å; L286-W383 HydrophobicContact CB-CZ3 3.53Å; L286-W383 HydrophobicContact CD1-CE3 4.18Å; L286-W383 HydrophobicContact CD1-CH2 3.8Å; L286-W383 HydrophobicContact CD1-CZ2 4.48Å; L286-W383 HydrophobicContact CD1-CZ3 3.6Å; L286-W383 HydrophobicContact CD2-CZ3 4.44Å; L286-W383 HydrophobicContact CG-CH2 4.11Å; L286-W383 HydrophobicContact CG-CZ3 4.05Å; L288-W383 HydrophobicContact CD1-CD2 4.37Å; L288-W383 HydrophobicContact CD1-CE3 3.86Å; L288-W383 HydrophobicContact CD1-CH2 3.27Å; L288-W383 HydrophobicContact CD1-CZ2 3.89Å; L288-W383 HydrophobicContact CD1-CZ3 3.27Å; L288-W383 HydrophobicContact CG-CH2 4.09Å; L288-W383 HydrophobicContact CG-CZ3 3.94Å; W378-W383 HydrophobicContact CB-CB 3.56Å; W378-W383 HydrophobicContact CB-CG 4.28Å; W378-W383 HydrophobicContact CD2-CB 3.72Å; W378-W383 HydrophobicContact CE3-CB 3.51Å; W378-W383 AromaticContact CE3-CD2 3.79Å; W378-W383 HydrophobicContact CE3-CD2 3.79Å; W378-W383 AromaticContact CE3-CE3 3.4Å; W378-W383 HydrophobicContact CE3-CE3 3.4Å; W378-W383 AromaticContact CE3-CG 3.9Å; W378-W383 HydrophobicContact CE3-CG 3.9Å; W378-W383 HydrophobicContact CE3-CZ3 4.25Å; W378-W383 HydrophobicContact CG-CB 3.77Å; W378-W383 HydrophobicContact CZ3-CB 4.41Å; W378-W383 HydrophobicContact CZ3-CD2 4.23Å; W378-W383 AromaticContact CZ3-CE3 3.36Å; W378-W383 HydrophobicContact CZ3-CE3 3.36Å; W378-W383 AromaticContact CZ3-CZ3 3.92Å; W378-W383 HydrophobicContact CZ3-CZ3 3.92Å; D379-W383 VanDerWaalsContact O-CD1 3.28Å; D379-W383 PolarHBondContact O-N 3.17Å; W383-S385 VanDerWaalsContact C-N 3.29Å; W383-S385 PolarHBondContact O-N 3.38Å; W383-L386 PolarHBondContact O-N 3.45Å; W383-W387 PolarHBondContact O-N 2.87Å
384K58.8Low64.6Low98 Ų9874.2 Ų74.243%0.42636%0.358SS..Hα-helixtrans-61-41.5178.4-60.1-165171.4172.70111.6L286 N382 K388L286-K384 VanDerWaalsContact CD1-CA 3.48Å; L286-K384 HydrophobicContact CD1-CB 3.35Å; L286-K384 HydrophobicContact CD1-CD 3.78Å; L286-K384 HydrophobicContact CD1-CG 3.34Å; N382-K384 PolarHBondContact O-N 3.45Å; K384-K388 VanDerWaalsContact O-CB 3.26Å; K384-K388 WeakPolarHBondContact O-CB 3.47Å; K384-K388 PolarHBondContact O-N 3.11Å
385S63.4Low64.7Low70 Ų7072.2 Ų72.249%0.4935%0.348SS..Hα-helixtrans-70.5-40.7178.4-58.20000111.4N382 W383 K388 R389N382-S385 WeakPolarHBondContact O-CB 3.29Å; N382-S385 PolarHBondContact O-N 3.04Å; N382-S385 VanDerWaalsContact O-N 3.11Å; W383-S385 VanDerWaalsContact C-N 3.29Å; W383-S385 PolarHBondContact O-N 3.38Å; S385-K388 PolarHBondContact O-N 3.05Å; S385-R389 WeakPolarHBondContact O-CB 3.45Å; S385-R389 VanDerWaalsContact O-CG 3.3Å; S385-R389 WeakPolarHBondContact O-CG 3.46Å; S385-R389 PolarHBondContact O-N 3.46Å
386L66.3Low64.3Low68 Ų6870.8 Ų70.836%0.35635%0.346SS..Hα-helixtrans-60.8-48.5175.7-69.4173.1000111.6V338 N382 W383 C390V338-L386 HydrophobicContact CG1-CB 4.42Å; N382-L386 PolarHBondContact O-N 3.33Å; W383-L386 PolarHBondContact O-N 3.45Å; L386-C390 PolarHBondContact O-N 2.8Å; L386-C390 VanDerWaalsContact O-N 3.17Å
387W70.2Confident63.2Low28 Ų2874.4 Ų74.411%0.10636%0.359CS..Hα-helixtrans-62.2-46.4176.1178.689000111.9L286 E331 L335 W378 W383 R389 C390 F391L286-W387 HydrophobicContact CD2-CD2 3.36Å; L286-W387 HydrophobicContact CD2-CE3 2.99Å; L286-W387 HydrophobicContact CD2-CG 4.1Å; L286-W387 HydrophobicContact CD2-CH2 3.68Å; L286-W387 HydrophobicContact CD2-CZ2 4.01Å; L286-W387 HydrophobicContact CD2-CZ3 3.18Å; L286-W387 HydrophobicContact CG-CE3 4.36Å; E331-W387 HydrophobicContact CB-CZ2 3.87Å; E331-W387 HydrophobicContact CG-CH2 4.02Å; E331-W387 HydrophobicContact CG-CZ2 3.71Å; L335-W387 VanDerWaalsContact CD2-CD1 3.45Å; W378-W387 HydrophobicContact CH2-CB 4.18Å; W378-W387 HydrophobicContact CZ3-CB 4.35Å; W383-W387 PolarHBondContact O-N 2.87Å; W387-R389 PolarHBondContact O-N 3.25Å; W387-C390 CarbonylContact O-C 3.49Å; W387-C390 WeakPolarHBondContact O-CA 3.35Å; W387-C390 WeakPolarHBondContact O-CB 3.48Å; W387-C390 PolarHBondContact O-N 3.32Å; W387-F391 HydrophobicContact CD2-CB 4.4Å; W387-F391 HydrophobicContact CE3-CB 4.2Å; W387-F391 HydrophobicContact CH2-CB 4.12Å; W387-F391 AromaticContact CH2-CD2 3.7Å; W387-F391 HydrophobicContact CH2-CD2 3.7Å; W387-F391 HydrophobicContact CH2-CE2 4.25Å; W387-F391 AromaticContact CH2-CG 3.89Å; W387-F391 HydrophobicContact CH2-CG 3.89Å; W387-F391 HydrophobicContact CZ2-CB 4.26Å; W387-F391 AromaticContact CZ2-CD2 3.64Å; W387-F391 HydrophobicContact CZ2-CD2 3.64Å; W387-F391 HydrophobicContact CZ2-CE2 4.32Å; W387-F391 HydrophobicContact CZ2-CG 4.16Å; W387-F391 HydrophobicContact CZ3-CB 4.06Å; W387-F391 HydrophobicContact CZ3-CD2 4.45Å; W387-F391 HydrophobicContact CZ3-CG 4.21Å; W387-F391 PolarHBondContact O-N 2.8Å
388K65Low62.1Low94 Ų9474.6 Ų74.641%0.40936%0.36SS..Hα-helixtrans-58.8-47.5-177.7-177.4-177.8175.2-170.20111.3K384 S385 C390 F391 E392K384-K388 VanDerWaalsContact O-CB 3.26Å; K384-K388 WeakPolarHBondContact O-CB 3.47Å; K384-K388 PolarHBondContact O-N 3.11Å; S385-K388 PolarHBondContact O-N 3.05Å; K388-C390 PolarHBondContact O-N 3.37Å; K388-F391 PolarHBondContact O-N 3.12Å; K388-E392 WeakPolarHBondContact CE-OE1 3.4Å; K388-E392 IonicContact NZ-OE1 2.72Å; K388-E392 WeakPolarHBondContact O-CB 3.35Å; K388-E392 WeakPolarHBondContact O-CG 3.41Å; K388-E392 PolarHBondContact O-N 2.72Å
389R66.7Low60.6Low173 Ų17378.7 Ų78.765%0.65340%0.396SS*.Hα-helixtrans-58.2-38.5175.3-73.2174.267.8174.61.6111.7S385 W387 R393S385-R389 WeakPolarHBondContact O-CB 3.45Å; S385-R389 VanDerWaalsContact O-CG 3.3Å; S385-R389 WeakPolarHBondContact O-CG 3.46Å; S385-R389 PolarHBondContact O-N 3.46Å; W387-R389 PolarHBondContact O-N 3.25Å; R389-R393 WeakPolarHBondContact O-CB 2.91Å; R389-R393 WeakPolarHBondContact O-CG 3.12Å; R389-R393 PolarHBondContact O-N 3.3Å
390C72.6Confident59.3Low10 Ų1078.8 Ų78.87%0.06840%0.399CS..Hα-helixtrans-71.7-42.3178.5-1650000112.5H337 V338 L386 W387 K388 E392 R393 C394H337-C390 WeakPolarHBondContact CB-SG 3.45Å; H337-C390 PolarHBondContact O-SG 2.94Å; H337-C390 VanDerWaalsContact O-SG 3.35Å; V338-C390 HydrophobicContact CG2-CB 3.66Å; L386-C390 PolarHBondContact O-N 2.8Å; L386-C390 VanDerWaalsContact O-N 3.17Å; W387-C390 CarbonylContact O-C 3.49Å; W387-C390 WeakPolarHBondContact O-CA 3.35Å; W387-C390 WeakPolarHBondContact O-CB 3.48Å; W387-C390 PolarHBondContact O-N 3.32Å; K388-C390 PolarHBondContact O-N 3.37Å; C390-E392 PolarHBondContact O-N 2.76Å; C390-R393 CarbonylContact O-C 3.59Å; C390-R393 WeakPolarHBondContact O-CB 3.47Å; C390-R393 PolarHBondContact O-N 2.97Å; C390-R393 VanDerWaalsContact O-N 3.14Å; C390-C394 PolarHBondContact O-N 2.84Å; C390-C394 PolarHBondContact O-SG 2.86Å
391F72.3Confident58.4Low22 Ų2277.1 Ų77.110%0.09639%0.386CS..Hα-helixtrans-60.3-45.7175.1-174.3-86.8000111.6L327 L330 E331 A334 W387 K388 R393 C394 F395L327-F391 HydrophobicContact CD1-CZ 4.35Å; L330-F391 HydrophobicContact CB-CE2 3.79Å; L330-F391 HydrophobicContact CB-CZ 4.14Å; E331-F391 HydrophobicContact CG-CE2 4.3Å; A334-F391 HydrophobicContact CB-CB 4.04Å; A334-F391 HydrophobicContact CB-CD2 3.7Å; A334-F391 HydrophobicContact CB-CG 4.31Å; W387-F391 HydrophobicContact CD2-CB 4.4Å; W387-F391 HydrophobicContact CE3-CB 4.2Å; W387-F391 HydrophobicContact CH2-CB 4.12Å; W387-F391 AromaticContact CH2-CD2 3.7Å; W387-F391 HydrophobicContact CH2-CD2 3.7Å; W387-F391 HydrophobicContact CH2-CE2 4.25Å; W387-F391 AromaticContact CH2-CG 3.89Å; W387-F391 HydrophobicContact CH2-CG 3.89Å; W387-F391 HydrophobicContact CZ2-CB 4.26Å; W387-F391 AromaticContact CZ2-CD2 3.64Å; W387-F391 HydrophobicContact CZ2-CD2 3.64Å; W387-F391 HydrophobicContact CZ2-CE2 4.32Å; W387-F391 HydrophobicContact CZ2-CG 4.16Å; W387-F391 HydrophobicContact CZ3-CB 4.06Å; W387-F391 HydrophobicContact CZ3-CD2 4.45Å; W387-F391 HydrophobicContact CZ3-CG 4.21Å; W387-F391 PolarHBondContact O-N 2.8Å; K388-F391 PolarHBondContact O-N 3.12Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 2.95Å; F391-C394 WeakPolarHBondContact O-CB 3.5Å; F391-C394 PolarHBondContact O-N 2.65Å; F391-C394 VanDerWaalsContact O-N 3.13Å; F391-F395 HydrophobicContact CD1-CD2 4.32Å; F391-F395 AromaticContact CD2-CD2 3.86Å; F391-F395 HydrophobicContact CD2-CD2 3.86Å; F391-F395 HydrophobicContact CD2-CE2 4.07Å; F391-F395 HydrophobicContact CE1-CD2 4.18Å; F391-F395 AromaticContact CE2-CD2 3.71Å; F391-F395 HydrophobicContact CE2-CD2 3.71Å; F391-F395 AromaticContact CE2-CE2 3.92Å; F391-F395 HydrophobicContact CE2-CE2 3.92Å; F391-F395 HydrophobicContact CG-CD2 4.17Å; F391-F395 AromaticContact CZ-CD2 3.87Å; F391-F395 HydrophobicContact CZ-CD2 3.87Å; F391-F395 HydrophobicContact CZ-CE2 4.47Å; F391-F395 PolarHBondContact O-N 3.4Å
392E65.5Low58.1Low93 Ų9376.4 Ų76.444%0.43538%0.382SS..Hα-helixtrans-60.9-38.8173.6-72.4171.1171.800111.7K388 C390 F395 S396K388-E392 WeakPolarHBondContact CE-OE1 3.4Å; K388-E392 IonicContact NZ-OE1 2.72Å; K388-E392 WeakPolarHBondContact O-CB 3.35Å; K388-E392 WeakPolarHBondContact O-CG 3.41Å; K388-E392 PolarHBondContact O-N 2.72Å; C390-E392 PolarHBondContact O-N 2.76Å; E392-F395 PolarHBondContact O-N 3.2Å; E392-S396 WeakPolarHBondContact O-CA 3.48Å; E392-S396 WeakPolarHBondContact O-CB 3.33Å; E392-S396 PolarHBondContact O-N 3.11Å; E392-S396 PolarHBondContact O-OG 2.97Å
393R69.7Low57.5Low162 Ų16276.5 Ų76.561%0.61140%0.395SS*.Hα-helixtrans-66.9-35.6173.7-7617366.4172.32.3112.9R317 L318 R389 C390 F391R317-R393 WeakPolarHBondContact CB-O 3.07Å; L318-R393 HydrophobicContact CD1-CB 4.03Å; L318-R393 HydrophobicContact CD2-CB 4.15Å; L318-R393 HydrophobicContact CG-CB 4.25Å; R389-R393 WeakPolarHBondContact O-CB 2.91Å; R389-R393 WeakPolarHBondContact O-CG 3.12Å; R389-R393 PolarHBondContact O-N 3.3Å; C390-R393 CarbonylContact O-C 3.59Å; C390-R393 WeakPolarHBondContact O-CB 3.47Å; C390-R393 PolarHBondContact O-N 2.97Å; C390-R393 VanDerWaalsContact O-N 3.14Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 2.95Å
394C69.3Low56.7Low0 Ų082 Ų820%042%0.422CS..Hα-helixtrans-68.1-38.3176.3-65.90000111.9C316 R317 L318 H337 C390 F391C316-C394 CarbonylContact C-O 3.51Å; C316-C394 WeakPolarHBondContact CA-O 3.26Å; R317-C394 PolarHBondContact N-O 3.39Å; L318-C394 VanDerWaalsContact CD1-SG 3.59Å; H337-C394 PolarHBondContact CD2-SG 3.24Å; C390-C394 PolarHBondContact O-N 2.84Å; C390-C394 PolarHBondContact O-SG 2.86Å; F391-C394 WeakPolarHBondContact O-CB 3.5Å; F391-C394 PolarHBondContact O-N 2.65Å; F391-C394 VanDerWaalsContact O-N 3.13Å
395F67.8Low56.4Low7 Ų781.3 Ų81.33%0.03142%0.422CS..Hα-helixtrans-134.310.4-160.4-57.9-56.5000115.2V314 C316 V323 L330 H333 A334 F391 E392 Y397 L398V314-F395 HydrophobicContact CG1-CD1 3.53Å; V314-F395 HydrophobicContact CG1-CE1 3.87Å; C316-F395 HydrophobicContact CB-CE1 3.94Å; C316-F395 HydrophobicContact CB-CZ 4.46Å; V323-F395 HydrophobicContact CG2-CE1 4.37Å; V323-F395 HydrophobicContact CG2-CZ 4.48Å; L330-F395 HydrophobicContact CB-CD2 4.3Å; L330-F395 HydrophobicContact CB-CE2 3.76Å; L330-F395 HydrophobicContact CB-CZ 4.02Å; L330-F395 HydrophobicContact CD2-CD1 4.02Å; L330-F395 HydrophobicContact CD2-CD2 4.47Å; L330-F395 HydrophobicContact CD2-CE1 3.5Å; L330-F395 VanDerWaalsContact CD2-CE1 3.5Å; L330-F395 HydrophobicContact CD2-CE2 4.01Å; L330-F395 HydrophobicContact CD2-CG 4.48Å; L330-F395 HydrophobicContact CD2-CZ 3.48Å; L330-F395 VanDerWaalsContact CD2-CZ 3.48Å; L330-F395 HydrophobicContact CG-CE2 4.47Å; L330-F395 HydrophobicContact CG-CZ 4.36Å; L330-F395 WeakPolarHBondContact O-CE2 3.41Å; H333-F395 HydrophobicContact CB-CZ 4.11Å; H333-F395 AromaticContact CD2-CZ 3.53Å; H333-F395 AromaticContact CG-CZ 3.98Å; A334-F395 HydrophobicContact CB-CE2 4.23Å; F391-F395 HydrophobicContact CD1-CD2 4.32Å; F391-F395 AromaticContact CD2-CD2 3.86Å; F391-F395 HydrophobicContact CD2-CD2 3.86Å; F391-F395 HydrophobicContact CD2-CE2 4.07Å; F391-F395 HydrophobicContact CE1-CD2 4.18Å; F391-F395 AromaticContact CE2-CD2 3.71Å; F391-F395 HydrophobicContact CE2-CD2 3.71Å; F391-F395 AromaticContact CE2-CE2 3.92Å; F391-F395 HydrophobicContact CE2-CE2 3.92Å; F391-F395 HydrophobicContact CG-CD2 4.17Å; F391-F395 AromaticContact CZ-CD2 3.87Å; F391-F395 HydrophobicContact CZ-CD2 3.87Å; F391-F395 HydrophobicContact CZ-CE2 4.47Å; F391-F395 PolarHBondContact O-N 3.4Å; E392-F395 PolarHBondContact O-N 3.2Å; F395-Y397 PolarHBondContact O-N 2.86Å; F395-L398 HydrophobicContact CB-CD1 3.76Å; F395-L398 HydrophobicContact CD1-CD1 4.43Å; F395-L398 HydrophobicContact CG-CD1 4.44Å; F395-L398 WeakPolarHBondContact O-CD1 3.44Å
396S59.6Low56.4Low49 Ų4981.9 Ų81.934%0.34343%0.425SS..  trans-57.3138.8177.843.60000112.1R317 E392R317-S396 PolarHBondContact NE-O 2.6Å; R317-S396 PolarHBondContact NH2-O 3.39Å; E392-S396 WeakPolarHBondContact O-CA 3.48Å; E392-S396 WeakPolarHBondContact O-CB 3.33Å; E392-S396 PolarHBondContact O-N 3.11Å; E392-S396 PolarHBondContact O-OG 2.97Å
397Y47.7Very low56.6Low169 Ų16984.4 Ų84.466%0.66343%0.429SS*.SBendtrans57.476.8-172.1-79.6-88.3000115.7F395F395-Y397 PolarHBondContact O-N 2.86Å
398L44Very low57Low76 Ų7685.8 Ų85.840%0.39844%0.441SS..  trans-111.489.8170.6-81.5163000111.6V314 F395V314-L398 HydrophobicContact CB-CD2 4.31Å; V314-L398 HydrophobicContact CG1-CD1 3.47Å; V314-L398 VanDerWaalsContact CG1-CD1 3.47Å; V314-L398 HydrophobicContact CG1-CD2 3.61Å; V314-L398 HydrophobicContact CG1-CG 4.15Å; V314-L398 HydrophobicContact CG2-CD1 4.29Å; V314-L398 HydrophobicContact CG2-CD2 4.02Å; F395-L398 HydrophobicContact CB-CD1 3.76Å; F395-L398 HydrophobicContact CD1-CD1 4.43Å; F395-L398 HydrophobicContact CG-CD1 4.44Å; F395-L398 WeakPolarHBondContact O-CD1 3.44Å
399A35.9Very low57.8Low96 Ų9685.7 Ų85.779%0.79345%0.448SS*.SBendtrans-160.2-29154.300000112
400T34.9Very low58.5Low86 Ų8678.3 Ų78.353%0.52842%0.423SS..SBendtrans-118.9-13.6-162.919.20000116.9S402T400-S402 PolarHBondContact O-N 3.18Å
401F35Very low58.7Low104 Ų10482.1 Ų82.146%0.45646%0.455SS..THydrogen-bonded Turntrans-86-7.2-169.7-86.6-80.8000116.6A403F401-A403 PolarHBondContact O-N 3.42Å
402S37.6Very low58.9Low82 Ų8286.1 Ų86.157%0.57348%0.477SS*.THydrogen-bonded Turntrans-77.9-9.3174.3-1650000113.4T400 R407T400-S402 PolarHBondContact O-N 3.18Å; S402-R407 PolarHBondContact O-NH2 2.75Å
403A44Very low59.6Low91 Ų9184 Ų8475%0.75247%0.472SS*.THydrogen-bonded Turntrans-99.3-12.3-178.300000114F401F401-A403 PolarHBondContact O-N 3.42Å
404E44.3Very low60Low144 Ų14484.2 Ų84.267%0.67348%0.477SS*.THydrogen-bonded Turntrans-114.5-5-174.8-70.6-177.5176.500114.5
405L52Low60.4Low84 Ų8490.1 Ų90.144%0.4451%0.505SS..SBendtrans-80.4132.2176.7-66.9169.4000109.9R407 V418L405-R407 PolarHBondContact O-N 3.18Å; L405-V418 HydrophobicContact CB-CG1 3.79Å; L405-V418 HydrophobicContact CD1-CG1 3.81Å; L405-V418 HydrophobicContact CG-CG1 4.38Å
406P63.2Low60.7Low82 Ų8295.4 Ų95.453%0.53253%0.53SS..  trans-53.8137.3175.717.4-26.3000109.7D419P406-D419 HydrophobicContact CB-CB 4.1Å; P406-D419 HydrophobicContact CG-CB 4.16Å; P406-D419 VanDerWaalsContact O-CB 3.24Å; P406-D419 WeakPolarHBondContact O-CB 3.45Å; P406-D419 PolarHBondContact O-N 2.96Å
407R70.6Confident61.5Low120 Ų12093.8 Ų93.845%0.45352%0.518SS..EExtended strand (participates in β ladder)trans-113.8135.1179.9-64.7-178.9172.3-139.1-4.7108.8S402 L405 E416 V417S402-R407 PolarHBondContact O-NH2 2.75Å; L405-R407 PolarHBondContact O-N 3.18Å; R407-E416 HydrophobicContact CB-CB 4.45Å; R407-E416 WeakPolarHBondContact CD-OE2 3.43Å; R407-E416 IonicContact CZ-OE2 3.32Å; R407-E416 IonicContact NE-OE2 2.88Å; R407-E416 IonicContact NH1-OE2 2.66Å; R407-E416 PolarHBondContact NH1-OE2 3.29Å; R407-V417 CarbonylContact C-O 3.48Å; R407-V417 VanDerWaalsContact CA-O 3.25Å; R407-V417 WeakPolarHBondContact CA-O 3.36Å
408V80.3Confident62.6Low57 Ų5787.3 Ų87.335%0.34550%0.496SS..EExtended strand (participates in β ladder)trans-111.2132.9172.51800000107.5V417 D419V408-V417 PolarHBondContact N-O 2.68Å; V408-V417 PolarHBondContact O-N 3.41Å; V408-D419 HydrophobicContact CG2-CB 3.71Å; V408-D419 VanDerWaalsContact CG2-CG 3.43Å
409T80Confident64.1Low92 Ų9287.5 Ų87.556%0.56450%0.497SS*.EExtended strand (participates in β ladder)trans-74.2124.6172.916.30000109.7A411 E416T409-A411 PolarHBondContact O-N 3.29Å; T409-E416 HydrophobicContact CG2-CG 4.24Å
410C81.3Confident65.4Low19 Ų1985.4 Ų85.413%0.12847%0.473CS..  trans-67.6124.21751760000110.7L412 C413 F414 E415 V417 H427 H431C410-L412 PolarHBondContact O-N 3.01Å; C410-L412 PolarHBondContact SG-N 2.75Å; C410-C413 VanDerWaalsContact SG-SG 3.67Å; C410-F414 WeakPolarHBondContact O-CA 3.34Å; C410-F414 PolarHBondContact O-N 2.92Å; C410-E415 PolarHBondContact N-O 3.38Å; C410-V417 HydrophobicContact CB-CG2 4.16Å; C410-H427 WeakPolarHBondContact CB-NE2 3.47Å; C410-H427 PolarHBondContact SG-NE2 2.78Å; C410-H431 PolarHBondContact SG-NE2 3.42Å; C410-H431 VanDerWaalsContact SG-NE2 3.41Å
411A78.2Confident67.1Low89 Ų8986.7 Ų86.774%0.73648%0.482SS*.THydrogen-bonded Turntrans-66.5-15.5177.800000114.6T409T409-A411 PolarHBondContact O-N 3.29Å
412L76.1Confident68.2Low106 Ų10683.5 Ų83.556%0.55548%0.475SS*.THydrogen-bonded Turntrans-91.8-37.8-177.9-64.6175.1000113.7C410 H431C410-L412 PolarHBondContact O-N 3.01Å; C410-L412 PolarHBondContact SG-N 2.75Å; L412-H431 HydrophobicContact CD1-CB 4.09Å
413C81.2Confident69.4Low49 Ų4981.1 Ų81.133%0.33146%0.457SS..THydrogen-bonded Turntrans-123.2-3.3-178.259.20000114.6C410 E415 H427 H431C410-C413 VanDerWaalsContact SG-SG 3.67Å; C413-E415 HydrophobicContact CB-CG 4.5Å; C413-E415 PolarHBondContact O-N 3.44Å; C413-E415 VanDerWaalsContact O-N 3.16Å; C413-H427 PolarHBondContact SG-CE1 2.85Å; C413-H427 PolarHBondContact SG-NE2 3.18Å; C413-H431 VanDerWaalsContact SG-CE1 3.51Å
414F77.7Confident70.7Confident167 Ų16780.6 Ų80.673%0.73244%0.44SS*.  trans61.613-176.9-55.5-83.1000115.1C410C410-F414 WeakPolarHBondContact O-CA 3.34Å; C410-F414 PolarHBondContact O-N 2.92Å
415E76.9Confident72.1Confident123 Ų12378.6 Ų78.658%0.57543%0.434SS*.  trans-75.6145.1171.6-67.4-16115900111.8C410 C413 V417C410-E415 PolarHBondContact N-O 3.38Å; C413-E415 HydrophobicContact CB-CG 4.5Å; C413-E415 PolarHBondContact O-N 3.44Å; C413-E415 VanDerWaalsContact O-N 3.16Å; E415-V417 PolarHBondContact O-N 3.15Å
416E74.7Confident72.8Confident119 Ų11978.8 Ų78.856%0.55644%0.435SS*.EExtended strand (participates in β ladder)trans-75.7121.3170.4-68.4-169.8162.200111.1R407 T409R407-E416 HydrophobicContact CB-CB 4.45Å; R407-E416 WeakPolarHBondContact CD-OE2 3.43Å; R407-E416 IonicContact CZ-OE2 3.32Å; R407-E416 IonicContact NE-OE2 2.88Å; R407-E416 IonicContact NH1-OE2 2.66Å; R407-E416 PolarHBondContact NH1-OE2 3.29Å; T409-E416 HydrophobicContact CG2-CG 4.24Å
417V75.2Confident73.5Confident15 Ų1576.2 Ų76.29%0.09142%0.416CS..EExtended strand (participates in β ladder)trans-116140.7179.3-171.20000108.8R407 V408 C410 E415 D419 H427R407-V417 CarbonylContact C-O 3.48Å; R407-V417 VanDerWaalsContact CA-O 3.25Å; R407-V417 WeakPolarHBondContact CA-O 3.36Å; V408-V417 PolarHBondContact N-O 2.68Å; V408-V417 PolarHBondContact O-N 3.41Å; C410-V417 HydrophobicContact CB-CG2 4.16Å; E415-V417 PolarHBondContact O-N 3.15Å; V417-D419 PolarHBondContact O-N 2.71Å; V417-H427 HydrophobicContact CG1-CB 3.94Å; V417-H427 HydrophobicContact CG2-CB 4.29Å; V417-H427 VanDerWaalsContact CG2-CE1 3.5Å; V417-H427 WeakPolarHBondContact CG2-CE1 3.49Å; V417-H427 WeakPolarHBondContact CG2-ND1 3.38Å
418V72.3Confident73.8Confident32 Ų3273.5 Ų73.519%0.19441%0.413CS..EExtended strand (participates in β ladder)trans-63.5129.4174.1176.10000109.6L405 N420 T423L405-V418 HydrophobicContact CB-CG1 3.79Å; L405-V418 HydrophobicContact CD1-CG1 3.81Å; L405-V418 HydrophobicContact CG-CG1 4.38Å; V418-N420 VanDerWaalsContact C-N 3.27Å; V418-N420 HydrophobicContact CG1-CB 4.35Å; V418-N420 PolarHBondContact O-N 3.49Å; V418-T423 HydrophobicContact CB-CG2 4.32Å; V418-T423 PolarHBondContact O-OG1 3.36Å
419D75.5Confident73.6Confident81 Ų8175.6 Ų75.643%0.43342%0.419SS..SBendtrans-74.275.2-178.4-164.38000111.5P406 V408 V417P406-D419 HydrophobicContact CB-CB 4.1Å; P406-D419 HydrophobicContact CG-CB 4.16Å; P406-D419 VanDerWaalsContact O-CB 3.24Å; P406-D419 WeakPolarHBondContact O-CB 3.45Å; P406-D419 PolarHBondContact O-N 2.96Å; V408-D419 HydrophobicContact CG2-CB 3.71Å; V408-D419 VanDerWaalsContact CG2-CG 3.43Å; V417-D419 PolarHBondContact O-N 2.71Å
420N62.8Low73.2Confident52 Ų5276.5 Ų76.528%0.27842%0.417SS..SBendtrans-146135.2177.9169.4-2.3000108.5V418 A422 T423 M424V418-N420 VanDerWaalsContact C-N 3.27Å; V418-N420 HydrophobicContact CG1-CB 4.35Å; V418-N420 PolarHBondContact O-N 3.49Å; N420-A422 PolarHBondContact O-N 3.15Å; N420-A422 PolarHBondContact OD1-N 3.44Å; N420-A422 VanDerWaalsContact OD1-N 3.16Å; N420-T423 WeakPolarHBondContact CB-OG1 3.42Å; N420-T423 PolarHBondContact O-N 2.95Å; N420-T423 VanDerWaalsContact O-N 3.13Å; N420-T423 PolarHBondContact O-OG1 3.46Å; N420-M424 WeakPolarHBondContact O-CB 3.31Å; N420-M424 VanDerWaalsContact O-CG 3.26Å; N420-M424 WeakPolarHBondContact O-CG 3.48Å; N420-M424 PolarHBondContact O-N 3.29Å
421P69.7Low72.9Confident112 Ų11277.1 Ų77.173%0.72742%0.417SS*.Hα-helixtrans-47.1-37.9179.1-30.733.4000115.3L425P421-L425 VanDerWaalsContact O-CB 3.29Å; P421-L425 WeakPolarHBondContact O-CB 3.39Å; P421-L425 PolarHBondContact O-N 2.79Å
422A58.6Low72.5Confident38 Ų3877.9 Ų77.931%0.31441%0.408SS..Hα-helixtrans-72.3-41.8-178.400000113.2L320 N420 L425 D426L320-A422 HydrophobicContact CB-CB 4.25Å; N420-A422 PolarHBondContact O-N 3.15Å; N420-A422 PolarHBondContact OD1-N 3.44Å; N420-A422 VanDerWaalsContact OD1-N 3.16Å; A422-L425 PolarHBondContact O-N 3.21Å; A422-D426 PolarHBondContact O-N 2.79Å
423T62.7Low71.5Confident32 Ų3275.5 Ų75.520%0.19640%0.4CS..Hα-helixtrans-73.4-36.1177.643.50000111.3V418 N420 H427V418-T423 HydrophobicContact CB-CG2 4.32Å; V418-T423 PolarHBondContact O-OG1 3.36Å; N420-T423 WeakPolarHBondContact CB-OG1 3.42Å; N420-T423 PolarHBondContact O-N 2.95Å; N420-T423 VanDerWaalsContact O-N 3.13Å; N420-T423 PolarHBondContact O-OG1 3.46Å; T423-H427 WeakPolarHBondContact O-CB 3.32Å; T423-H427 PolarHBondContact O-N 2.93Å
424M72.1Confident70.1Confident80 Ų8075.8 Ų75.839%0.39440%0.4SS..Hα-helixtrans-62.6-40.7171-70.2-102-82.300111.4N420 T428N420-M424 WeakPolarHBondContact O-CB 3.31Å; N420-M424 VanDerWaalsContact O-CG 3.26Å; N420-M424 WeakPolarHBondContact O-CG 3.48Å; N420-M424 PolarHBondContact O-N 3.29Å; M424-T428 WeakPolarHBondContact O-CB 3.44Å; M424-T428 VanDerWaalsContact O-CG2 3.22Å; M424-T428 WeakPolarHBondContact O-CG2 3.37Å; M424-T428 PolarHBondContact O-N 3.14Å; M424-T428 PolarHBondContact O-OG1 3.31Å
425L74.1Confident68.6Low101 Ų10176 Ų7653%0.52940%0.396SS..Hα-helixtrans-66.6-46.6176-174.965.4000112.5P421 A422 H427 T428 Q429P421-L425 VanDerWaalsContact O-CB 3.29Å; P421-L425 WeakPolarHBondContact O-CB 3.39Å; P421-L425 PolarHBondContact O-N 2.79Å; A422-L425 PolarHBondContact O-N 3.21Å; L425-H427 VanDerWaalsContact C-N 3.33Å; L425-H427 PolarHBondContact O-N 3.38Å; L425-T428 VanDerWaalsContact CA-OG1 3.26Å; L425-T428 WeakPolarHBondContact CA-OG1 3.3Å; L425-T428 PolarHBondContact O-N 3.49Å; L425-T428 PolarHBondContact O-OG1 2.93Å; L425-Q429 WeakPolarHBondContact O-CB 3.35Å; L425-Q429 VanDerWaalsContact O-CG 3.27Å; L425-Q429 WeakPolarHBondContact O-CG 3.37Å; L425-Q429 PolarHBondContact O-N 3.48Å
426D66.6Low67.1Low89 Ų8976.6 Ų76.648%0.47640%0.403SS..Hα-helixtrans-62.4-42.4176.9-169.651.4000111.2A422 Q429 H430A422-D426 PolarHBondContact O-N 2.79Å; D426-Q429 PolarHBondContact O-N 2.97Å; D426-H430 PolarHBondContact O-N 3.23Å
427H76.1Confident65.6Low27 Ų2776 Ų7613%0.12541%0.408CS..Hα-helixtrans-65.1-42.6175.8-17681.5000112.4C410 C413 V417 T423 L425 H430 H431C410-H427 WeakPolarHBondContact CB-NE2 3.47Å; C410-H427 PolarHBondContact SG-NE2 2.78Å; C413-H427 PolarHBondContact SG-CE1 2.85Å; C413-H427 PolarHBondContact SG-NE2 3.18Å; V417-H427 HydrophobicContact CG1-CB 3.94Å; V417-H427 HydrophobicContact CG2-CB 4.29Å; V417-H427 VanDerWaalsContact CG2-CE1 3.5Å; V417-H427 WeakPolarHBondContact CG2-CE1 3.49Å; V417-H427 WeakPolarHBondContact CG2-ND1 3.38Å; T423-H427 WeakPolarHBondContact O-CB 3.32Å; T423-H427 PolarHBondContact O-N 2.93Å; L425-H427 VanDerWaalsContact C-N 3.33Å; L425-H427 PolarHBondContact O-N 3.38Å; H427-H430 VanDerWaalsContact O-CB 3.29Å; H427-H430 WeakPolarHBondContact O-CB 3.49Å; H427-H430 PolarHBondContact O-N 2.92Å; H427-H431 AromaticContact CD2-CD2 3.7Å; H427-H431 AromaticContact CD2-NE2 3.47Å; H427-H431 PolarHBondContact CD2-NE2 2.94Å; H427-H431 AromaticContact CE1-NE2 3.54Å; H427-H431 AromaticContact NE2-CD2 3.61Å; H427-H431 AromaticContact NE2-CE1 4Å; H427-H431 AromaticContact NE2-NE2 2.88Å; H427-H431 PolarHBondContact NE2-NE2 3.2Å; H427-H431 PolarHBondContact O-CD2 2.83Å; H427-H431 PolarHBondContact O-N 3.08Å
428T76.9Confident63.9Low63 Ų6378.3 Ų78.339%0.38742%0.42SS..Hα-helixtrans-66.5-35.8174.649.50000112.1M424 L425 H430 H431 I432M424-T428 WeakPolarHBondContact O-CB 3.44Å; M424-T428 VanDerWaalsContact O-CG2 3.22Å; M424-T428 WeakPolarHBondContact O-CG2 3.37Å; M424-T428 PolarHBondContact O-N 3.14Å; M424-T428 PolarHBondContact O-OG1 3.31Å; L425-T428 VanDerWaalsContact CA-OG1 3.26Å; L425-T428 WeakPolarHBondContact CA-OG1 3.3Å; L425-T428 PolarHBondContact O-N 3.49Å; L425-T428 PolarHBondContact O-OG1 2.93Å; T428-H430 VanDerWaalsContact C-N 3.29Å; T428-H430 PolarHBondContact O-N 3.36Å; T428-H431 WeakPolarHBondContact O-CB 3.33Å; T428-H431 PolarHBondContact O-N 2.83Å; T428-H431 VanDerWaalsContact O-N 3.15Å; T428-I432 VanDerWaalsContact O-CG1 3.31Å; T428-I432 WeakPolarHBondContact O-CG1 3.14Å; T428-I432 PolarHBondContact O-N 2.94Å
429Q77.7Confident62.7Low102 Ų10281.5 Ų81.548%0.47744%0.439SS..Hα-helixtrans-63-34.4170.9-75.6177.3-5.700112.2L425 D426 I432 S433L425-Q429 WeakPolarHBondContact O-CB 3.35Å; L425-Q429 VanDerWaalsContact O-CG 3.27Å; L425-Q429 WeakPolarHBondContact O-CG 3.37Å; L425-Q429 PolarHBondContact O-N 3.48Å; D426-Q429 PolarHBondContact O-N 2.97Å; Q429-I432 PolarHBondContact O-N 2.84Å; Q429-S433 WeakPolarHBondContact O-CB 3.43Å; Q429-S433 PolarHBondContact O-N 3.06Å; Q429-S433 PolarHBondContact O-OG 3.07Å; Q429-S433 VanDerWaalsContact O-OG 3.09Å
430H72Confident61.1Low111 Ų11187 Ų8751%0.51446%0.455SS..Hα-helixtrans-59.9-44.8171.2-166.562.2000111.4D426 H427 T428 I432 S433 V434D426-H430 PolarHBondContact O-N 3.23Å; H427-H430 VanDerWaalsContact O-CB 3.29Å; H427-H430 WeakPolarHBondContact O-CB 3.49Å; H427-H430 PolarHBondContact O-N 2.92Å; T428-H430 VanDerWaalsContact C-N 3.29Å; T428-H430 PolarHBondContact O-N 3.36Å; H430-I432 VanDerWaalsContact C-N 3.33Å; H430-I432 PolarHBondContact O-N 3.48Å; H430-S433 WeakPolarHBondContact CA-OG 3.33Å; H430-S433 PolarHBondContact O-N 2.92Å; H430-S433 PolarHBondContact O-OG 3.24Å; H430-V434 WeakPolarHBondContact O-CB 3.5Å; H430-V434 VanDerWaalsContact O-CG2 3.24Å; H430-V434 WeakPolarHBondContact O-CG2 3.3Å; H430-V434 PolarHBondContact O-N 2.81Å
431H74.5Confident60.6Low31 Ų3187.6 Ų87.614%0.14446%0.461CS..Hα-helixtrans-62-37.8173.4-69.9-66000113.5C410 L412 C413 H427 T428 R435C410-H431 PolarHBondContact SG-NE2 3.42Å; C410-H431 VanDerWaalsContact SG-NE2 3.41Å; L412-H431 HydrophobicContact CD1-CB 4.09Å; C413-H431 VanDerWaalsContact SG-CE1 3.51Å; H427-H431 AromaticContact CD2-CD2 3.7Å; H427-H431 AromaticContact CD2-NE2 3.47Å; H427-H431 PolarHBondContact CD2-NE2 2.94Å; H427-H431 AromaticContact CE1-NE2 3.54Å; H427-H431 AromaticContact NE2-CD2 3.61Å; H427-H431 AromaticContact NE2-CE1 4Å; H427-H431 AromaticContact NE2-NE2 2.88Å; H427-H431 PolarHBondContact NE2-NE2 3.2Å; H427-H431 PolarHBondContact O-CD2 2.83Å; H427-H431 PolarHBondContact O-N 3.08Å; T428-H431 WeakPolarHBondContact O-CB 3.33Å; T428-H431 PolarHBondContact O-N 2.83Å; T428-H431 VanDerWaalsContact O-N 3.15Å; H431-R435 WeakPolarHBondContact O-CB 3.34Å; H431-R435 VanDerWaalsContact O-CG 3.32Å; H431-R435 WeakPolarHBondContact O-CG 3.06Å; H431-R435 PolarHBondContact O-N 3.49Å
432I69.1Low59.8Low105 Ų10585.8 Ų85.854%0.53845%0.448SS..Hα-helixtrans-69.9-40.9178.2-64.3163.4000110.8T428 Q429 H430 R435 N436T428-I432 VanDerWaalsContact O-CG1 3.31Å; T428-I432 WeakPolarHBondContact O-CG1 3.14Å; T428-I432 PolarHBondContact O-N 2.94Å; Q429-I432 PolarHBondContact O-N 2.84Å; H430-I432 VanDerWaalsContact C-N 3.33Å; H430-I432 PolarHBondContact O-N 3.48Å; I432-R435 PolarHBondContact O-N 2.64Å; I432-N436 PolarHBondContact O-N 3.16Å
433S56Low59.4Low57 Ų5790.5 Ų90.540%0.39946%0.463SS..Hα-helixtrans-71.1-38179.361.70000113.1Q429 H430 R435 N436 T437Q429-S433 WeakPolarHBondContact O-CB 3.43Å; Q429-S433 PolarHBondContact O-N 3.06Å; Q429-S433 PolarHBondContact O-OG 3.07Å; Q429-S433 VanDerWaalsContact O-OG 3.09Å; H430-S433 WeakPolarHBondContact CA-OG 3.33Å; H430-S433 PolarHBondContact O-N 2.92Å; H430-S433 PolarHBondContact O-OG 3.24Å; S433-R435 VanDerWaalsContact C-N 3.32Å; S433-N436 PolarHBondContact O-N 3.33Å; S433-N436 VanDerWaalsContact O-N 3.15Å; S433-T437 PolarHBondContact O-N 3.48Å; S433-T437 PolarHBondContact O-OG1 3.49Å
434V52Low59Low54 Ų5493.2 Ų93.233%0.32748%0.476SS..Hα-helixtrans-67.1-35.4173176.30000110.5H430 N436 T437 D438H430-V434 WeakPolarHBondContact O-CB 3.5Å; H430-V434 VanDerWaalsContact O-CG2 3.24Å; H430-V434 WeakPolarHBondContact O-CG2 3.3Å; H430-V434 PolarHBondContact O-N 2.81Å; V434-N436 PolarHBondContact O-N 2.72Å; V434-T437 PolarHBondContact O-N 3.4Å; V434-D438 PolarHBondContact O-N 3.42Å; V434-D438 VanDerWaalsContact O-N 3.17Å
435R45.8Very low58.2Low171 Ų17195.7 Ų95.765%0.64549%0.487SS*.Hα-helixtrans-65.1-20.2172-82.9-176.4174.3-176.50.1114.3H431 I432 S433 V439H431-R435 WeakPolarHBondContact O-CB 3.34Å; H431-R435 VanDerWaalsContact O-CG 3.32Å; H431-R435 WeakPolarHBondContact O-CG 3.06Å; H431-R435 PolarHBondContact O-N 3.49Å; I432-R435 PolarHBondContact O-N 2.64Å; S433-R435 VanDerWaalsContact C-N 3.32Å; R435-V439 WeakPolarHBondContact O-CG2 3.36Å
436N44.2Very low57.4Low136 Ų13693.4 Ų93.473%0.72748%0.482SS*.THydrogen-bonded Turntrans-94.1-4.5176.6-79.3-18.9000114I432 S433 V434I432-N436 PolarHBondContact O-N 3.16Å; S433-N436 PolarHBondContact O-N 3.33Å; S433-N436 VanDerWaalsContact O-N 3.15Å; V434-N436 PolarHBondContact O-N 2.72Å
437T43.4Very low57.1Low107 Ų10795.4 Ų95.466%0.65649%0.489SS*.THydrogen-bonded Turntrans-118.8-13.1-178.636.20000114.4S433 V434S433-T437 PolarHBondContact O-N 3.48Å; S433-T437 PolarHBondContact O-OG1 3.49Å; V434-T437 PolarHBondContact O-N 3.4Å
438D40.7Very low56.3Low64 Ų64100.2 Ų100.234%0.34251%0.513SS..  trans-139.731.2-172.8-85.7-32000115.6V434 Y440 T441 V442V434-D438 PolarHBondContact O-N 3.42Å; V434-D438 VanDerWaalsContact O-N 3.17Å; D438-Y440 PolarHBondContact O-N 3.41Å; D438-T441 WeakPolarHBondContact CA-OG1 3.24Å; D438-T441 PolarHBondContact O-N 3.11Å; D438-T441 WeakPolarHBondContact OD1-CB 3.29Å; D438-T441 PolarHBondContact OD1-OG1 3.28Å; D438-V442 HydrophobicContact CB-CB 4.35Å; D438-V442 HydrophobicContact CB-CG2 3.62Å; D438-V442 PolarHBondContact O-N 3.38Å; D438-V442 VanDerWaalsContact O-N 3.15Å
439V45.4Very low55.6Low98 Ų98105.7 Ų105.759%0.59453%0.531SS*.THydrogen-bonded Turntrans-61.3-27.6176.7-172.40000112.3R435 Q443R435-V439 WeakPolarHBondContact O-CG2 3.36Å; V439-Q443 PolarHBondContact O-OE1 3.14Å
440Y42.8Very low54.9Low197 Ų197111.6 Ų111.677%0.77355%0.549SS*.THydrogen-bonded Turntrans-93.3-29.1177.4-113.8-96.4000114D438 L444D438-Y440 PolarHBondContact O-N 3.41Å; Y440-L444 WeakPolarHBondContact O-CD1 3.46Å
441T52.4Low54.1Low65 Ų65117.4 Ų117.440%0.39957%0.567SS.*Hα-helixtrans-93-33.5-167.216.10000112.9D438 Q445D438-T441 WeakPolarHBondContact CA-OG1 3.24Å; D438-T441 PolarHBondContact O-N 3.11Å; D438-T441 WeakPolarHBondContact OD1-CB 3.29Å; D438-T441 PolarHBondContact OD1-OG1 3.28Å; T441-Q445 WeakPolarHBondContact O-CG 3.44Å; T441-Q445 PolarHBondContact O-N 3.46Å; T441-Q445 VanDerWaalsContact O-N 3.14Å
442V52.5Low52.9Low74 Ų74129.1 Ų129.145%0.44861%0.61SS.*Hα-helixtrans-79-30.7177.7168.80000112.3D438 A446D438-V442 HydrophobicContact CB-CB 4.35Å; D438-V442 HydrophobicContact CB-CG2 3.62Å; D438-V442 PolarHBondContact O-N 3.38Å; D438-V442 VanDerWaalsContact O-N 3.15Å; V442-A446 VanDerWaalsContact O-CB 3.27Å; V442-A446 WeakPolarHBondContact O-CB 3.49Å; V442-A446 PolarHBondContact O-N 3.42Å
443Q51.3Low52.1Low136 Ų136130.4 Ų130.464%0.63661%0.613SS**Hα-helixtrans-68.9-38.3172.6-93.2175.5-25.600112.5V439 Q447V439-Q443 PolarHBondContact O-OE1 3.14Å; Q443-Q447 WeakPolarHBondContact O-CB 3.48Å; Q443-Q447 WeakPolarHBondContact O-CG 3.38Å; Q443-Q447 PolarHBondContact O-N 3.31Å
444L54Low51.9Low89 Ų89134.2 Ų134.247%0.46663%0.625SS.*Hα-helixtrans-67.9-41174.6-87.7162.1000112.2Y440 Q447 M448Y440-L444 WeakPolarHBondContact O-CD1 3.46Å; L444-Q447 PolarHBondContact O-N 3.08Å; L444-M448 WeakPolarHBondContact O-CB 3.3Å; L444-M448 VanDerWaalsContact O-CG 3.3Å; L444-M448 WeakPolarHBondContact O-CG 3.41Å; L444-M448 PolarHBondContact O-N 2.8Å
445Q55.3Low51.9Low132 Ų132138.7 Ų138.762%0.61764%0.641SS**Hα-helixtrans-70.6-33.1177.2-73.5-179.5-500113.2T441 K449T441-Q445 WeakPolarHBondContact O-CG 3.44Å; T441-Q445 PolarHBondContact O-N 3.46Å; T441-Q445 VanDerWaalsContact O-N 3.14Å; Q445-K449 PolarHBondContact O-N 3.14Å; Q445-K449 VanDerWaalsContact O-N 3.09Å
446A56.9Low52.2Low53 Ų53136.8 Ų136.844%0.43864%0.641SS.*Hα-helixtrans-72.3-33.6174.300000112.8V442 R450V442-A446 VanDerWaalsContact O-CB 3.27Å; V442-A446 WeakPolarHBondContact O-CB 3.49Å; V442-A446 PolarHBondContact O-N 3.42Å; A446-R450 PolarHBondContact O-N 3.27Å
447Q59.7Low52.7Low131 Ų131136.8 Ų136.861%0.61264%0.635SS**Hα-helixtrans-73-35.1172.1-77-177.1-9.700112.4Q443 L444 R450 R451Q443-Q447 WeakPolarHBondContact O-CB 3.48Å; Q443-Q447 WeakPolarHBondContact O-CG 3.38Å; Q443-Q447 PolarHBondContact O-N 3.31Å; L444-Q447 PolarHBondContact O-N 3.08Å; Q447-R450 PolarHBondContact O-N 3.06Å; Q447-R451 PolarHBondContact O-N 3.02Å
448M59.6Low53.4Low129 Ų129138.8 Ų138.864%0.63563%0.634SS**Hα-helixtrans-71.2-28.9176.5-75.2-171.4172.900113.5L444L444-M448 WeakPolarHBondContact O-CB 3.3Å; L444-M448 VanDerWaalsContact O-CG 3.3Å; L444-M448 WeakPolarHBondContact O-CG 3.41Å; L444-M448 PolarHBondContact O-N 2.8Å
449K63Low54.3Low178 Ų178144.1 Ų144.177%0.77466%0.655SS**THydrogen-bonded Turntrans-83.1-10.1173.5-81.5-174176.5-179.30114.9Q445Q445-K449 PolarHBondContact O-N 3.14Å; Q445-K449 VanDerWaalsContact O-N 3.09Å
450R62.9Low54.9Low226 Ų226147.7 Ų147.785%0.85366%0.66SS**THydrogen-bonded Turntrans-98.9-7.3172.1-74.7-176.9177-178.1-0.3113.4A446 Q447A446-R450 PolarHBondContact O-N 3.27Å; Q447-R450 PolarHBondContact O-N 3.06Å
451R54.7Low56Low232 Ų232143.6 Ų143.688%0.87565%0.65SS**  trans-105.9-0.5174.7-77.9-172.8167.3-170.3-2.6113.6Q447Q447-R451 PolarHBondContact O-N 3.02Å
452R49.1Very low56.3Low278 Ų278150.7 Ų150.7100%1.04967%0.673SS**  trans-111.30161.3-75.8-176.2175.5-173.5-1107.2

Retrieved 452 of 452 residues in 179.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).