A0A087XJW7_POEFO Loading...

Leucine rich repeat containing 8 VRAC subunit Aa

AlphaFold DB , UniProt , Accession A0A087XJW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 794 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
1M53.3Low60Low205 Ų205107.5 Ų107.5100%1.0152%0.518SS*.  0112.70-166.4170.6-178.600106.3P3 T44M1-P3 WeakPolarHBondContact O-CD 3.5Å; M1-T44 HydrophobicContact CE-CG2 4.02Å
2I58.9Low59.7Low106 Ų106108 Ų10854%0.54453%0.525SS..  trans-85116.5-176.2-59.4169.5000107.2L7I2-L7 HydrophobicContact CG2-CD1 4.03Å; I2-L7 HydrophobicContact CG2-CG 4.3Å
3P64.1Low59.9Low57 Ų57102 Ų10237%0.3750%0.499SS..  trans-70.2139.7178.730.9-34.1000109.8M1 T5 E6M1-P3 WeakPolarHBondContact O-CD 3.5Å; P3-T5 PolarHBondContact O-N 3.33Å; P3-E6 HydrophobicContact CG-CB 4.44Å; P3-E6 HydrophobicContact CG-CG 3.96Å; P3-E6 PolarHBondContact O-N 3.24Å
4I61.9Low60.1Low79 Ų79102.5 Ų102.541%0.40550%0.499SS..Hα-helixtrans-56.2-25179.6-65.5165.3000111.5E6 L7 R8 M37 V40I4-E6 PolarHBondContact O-N 2.62Å; I4-L7 PolarHBondContact O-N 3.28Å; I4-R8 PolarHBondContact O-N 3.12Å; I4-M37 HydrophobicContact CD1-CG 4.36Å; I4-V40 HydrophobicContact CG1-CB 4.43Å; I4-V40 HydrophobicContact CG1-CG1 4.11Å; I4-V40 HydrophobicContact CG1-CG2 4.42Å
5T62.4Low60.3Low100 Ų100101.9 Ų101.961%0.61351%0.507SS*.Hα-helixtrans-62.8-34.7176.749.50000113.8P3 L7 R8P3-T5 PolarHBondContact O-N 3.33Å; T5-L7 VanDerWaalsContact C-N 3.35Å; T5-R8 VanDerWaalsContact O-CB 3.28Å; T5-R8 WeakPolarHBondContact O-CB 3.41Å; T5-R8 PolarHBondContact O-N 3.06Å
6E63.1Low60.5Low134 Ų13499.6 Ų99.663%0.62650%0.5SS*.Hα-helixtrans-71.9-31.2177.7-77.6-175.6-174.500112.2P3 I4 R8P3-E6 HydrophobicContact CG-CB 4.44Å; P3-E6 HydrophobicContact CG-CG 3.96Å; P3-E6 PolarHBondContact O-N 3.24Å; I4-E6 PolarHBondContact O-N 2.62Å; E6-R8 VanDerWaalsContact C-N 3.3Å
7L61.9Low61.5Low25 Ų2594.3 Ų94.313%0.13147%0.473CS..Hα-helixtrans-79.6-14.1176.8-69.5158.1000112.8I2 I4 T5 Y9 F10 L36 V40 L119I2-L7 HydrophobicContact CG2-CD1 4.03Å; I2-L7 HydrophobicContact CG2-CG 4.3Å; I4-L7 PolarHBondContact O-N 3.28Å; T5-L7 VanDerWaalsContact C-N 3.35Å; L7-Y9 PolarHBondContact O-N 3.1Å; L7-F10 PolarHBondContact O-N 3.02Å; L7-L36 HydrophobicContact CB-CD2 3.77Å; L7-L36 HydrophobicContact CD1-CD1 4.23Å; L7-L36 HydrophobicContact CD1-CD2 4.3Å; L7-V40 HydrophobicContact CD1-CG2 4.27Å; L7-L119 HydrophobicContact CD2-CD2 4.31Å
8R59.9Low62.4Low168 Ų16898.4 Ų98.463%0.63448%0.482SS*.G310 helixtrans-65.3-25.4175.9-156.9179-165.71644.4112.7I4 T5 E6 F10 A11 D12I4-R8 PolarHBondContact O-N 3.12Å; T5-R8 VanDerWaalsContact O-CB 3.28Å; T5-R8 WeakPolarHBondContact O-CB 3.41Å; T5-R8 PolarHBondContact O-N 3.06Å; E6-R8 VanDerWaalsContact C-N 3.3Å; R8-F10 PolarHBondContact O-N 3.17Å; R8-A11 PolarHBondContact O-N 3.27Å; R8-D12 PolarHBondContact O-N 2.92Å; R8-D12 VanDerWaalsContact O-N 3.14Å
9Y61.5Low63.5Low178 Ų17894 Ų9470%0.69846%0.46SS*.G310 helixtrans-59-27.8176-173.8-98.9000113.3L7 A11L7-Y9 PolarHBondContact O-N 3.1Å; Y9-A11 VanDerWaalsContact C-N 3.3Å
10F57.3Low64.6Low108 Ų10889.4 Ų89.447%0.47444%0.438SS..G310 helixtrans-76.5-17.7175.4-69.3-77.7000113.6L7 R8 L122 N126L7-F10 PolarHBondContact O-N 3.02Å; R8-F10 PolarHBondContact O-N 3.17Å; F10-L122 HydrophobicContact CB-CD2 3.39Å; F10-L122 HydrophobicContact CB-CG 4.2Å; F10-N126 PolarHBondContact O-ND2 2.99Å
11A56.1Low65.7Low23 Ų2385.8 Ų85.819%0.1942%0.42CS..THydrogen-bonded Turntrans-98.4-18.6179.100000113.3R8 Y9 T13 L122R8-A11 PolarHBondContact O-N 3.27Å; Y9-A11 VanDerWaalsContact C-N 3.3Å; A11-T13 PolarHBondContact O-N 3.33Å; A11-T13 VanDerWaalsContact O-N 3.09Å; A11-L122 HydrophobicContact CB-CD1 4.27Å
12D56.4Low67.4Low113 Ų11376.1 Ų76.160%0.60437%0.372SS*.  trans-72.9104.5179-103.3-18.7000111.4R8R8-D12 PolarHBondContact O-N 2.92Å; R8-D12 VanDerWaalsContact O-N 3.14Å
13T61.6Low68.9Low30 Ų3076.7 Ų76.718%0.18437%0.368CS..  trans-94.8145.7165.5520000109.7A11 K21 N126 F129A11-T13 PolarHBondContact O-N 3.33Å; A11-T13 VanDerWaalsContact O-N 3.09Å; T13-K21 PolarHBondContact OG1-NZ 3.49Å; T13-N126 WeakPolarHBondContact CG2-OD1 3.47Å; T13-F129 HydrophobicContact CG2-CD2 4.45Å
14Q62.8Low70.3Confident109 Ų10974 Ų7451%0.50935%0.35SS..  trans-52.1139.7174.8-71.2-178.1-17.200111.2T16 Y17Q14-T16 PolarHBondContact O-N 3.35Å; Q14-T16 VanDerWaalsContact O-N 3.16Å; Q14-Y17 HydrophobicContact CB-CD2 3.74Å; Q14-Y17 HydrophobicContact CB-CE2 3.9Å; Q14-Y17 HydrophobicContact CG-CE2 4.23Å; Q14-Y17 PolarHBondContact O-N 2.95Å; Q14-Y17 VanDerWaalsContact O-N 3.11Å
15P62.8Low71.6Confident94 Ų9470.8 Ų70.861%0.6133%0.334SS*.G310 helixtrans-62.4-25.8-174.824-33.5000113.2Y17 R18P15-Y17 VanDerWaalsContact C-N 3.29Å; P15-Y17 PolarHBondContact O-N 3.25Å; P15-R18 WeakPolarHBondContact O-CB 3.16Å; P15-R18 VanDerWaalsContact O-CG 3.31Å; P15-R18 WeakPolarHBondContact O-CG 3.08Å; P15-R18 PolarHBondContact O-N 3.15Å
16T64.8Low72.9Confident64 Ų6468.6 Ų68.639%0.39332%0.32SS..G310 helixtrans-66.4-26.2177.746.80000113.2Q14 R18Q14-T16 PolarHBondContact O-N 3.35Å; Q14-T16 VanDerWaalsContact O-N 3.16Å; T16-R18 VanDerWaalsContact C-N 3.28Å; T16-R18 PolarHBondContact O-N 3.29Å
17Y77.6Confident74.2Confident10 Ų1067.9 Ų67.94%0.03932%0.315CS..G310 helixtrans-81.5-1.8178.6-63-46.4000114.5Q14 P15 I19 L20 F129 S135 L138 E139 V142Q14-Y17 HydrophobicContact CB-CD2 3.74Å; Q14-Y17 HydrophobicContact CB-CE2 3.9Å; Q14-Y17 HydrophobicContact CG-CE2 4.23Å; Q14-Y17 PolarHBondContact O-N 2.95Å; Q14-Y17 VanDerWaalsContact O-N 3.11Å; P15-Y17 VanDerWaalsContact C-N 3.29Å; P15-Y17 PolarHBondContact O-N 3.25Å; Y17-I19 PolarHBondContact O-N 3.38Å; Y17-L20 HydrophobicContact CD1-CD1 4.25Å; Y17-L20 PolarHBondContact O-N 3.21Å; Y17-F129 HydrophobicContact CD1-CD1 4.28Å; Y17-F129 HydrophobicContact CD1-CE1 4.26Å; Y17-F129 AromaticContact CD2-CD1 3.98Å; Y17-F129 HydrophobicContact CD2-CD1 3.98Å; Y17-F129 HydrophobicContact CD2-CE1 4.44Å; Y17-F129 HydrophobicContact CE2-CD1 4.45Å; Y17-F129 AromaticContact CG-CD1 3.89Å; Y17-F129 HydrophobicContact CG-CD1 3.89Å; Y17-F129 AromaticContact CG-CE1 3.92Å; Y17-F129 HydrophobicContact CG-CE1 3.92Å; Y17-S135 PolarHBondContact OH-OG 3.49Å; Y17-L138 HydrophobicContact CE1-CB 4.38Å; Y17-E139 HydrophobicContact CE1-CG 4.29Å; Y17-E139 WeakPolarHBondContact OH-CG 3.33Å; Y17-E139 PolarHBondContact OH-OE1 3.23Å; Y17-V142 HydrophobicContact CD1-CG2 4.37Å
18R77.9Confident75.6Confident168 Ų16866.8 Ų66.863%0.63431%0.31SS*.G310 helixtrans-58.1-31.8177.5-73.1179.9178.6-178.31.2112.7P15 T16 L20 K21P15-R18 WeakPolarHBondContact O-CB 3.16Å; P15-R18 VanDerWaalsContact O-CG 3.31Å; P15-R18 WeakPolarHBondContact O-CG 3.08Å; P15-R18 PolarHBondContact O-N 3.15Å; T16-R18 VanDerWaalsContact C-N 3.28Å; T16-R18 PolarHBondContact O-N 3.29Å; R18-L20 PolarHBondContact O-N 2.98Å; R18-K21 PolarHBondContact O-N 3.15Å; R18-K21 VanDerWaalsContact O-N 3.11Å
19I83.3Confident76.9Confident15 Ų1560 Ų608%0.07729%0.286CS..G310 helixtrans-65.3-23.6179.2-52.7169.3000111.6Y17 L145 L146 I363 Y366 Y370Y17-I19 PolarHBondContact O-N 3.38Å; I19-L145 HydrophobicContact CG2-CD2 4.13Å; I19-L146 HydrophobicContact CD1-CD2 3.72Å; I19-L146 HydrophobicContact CD1-CG 4.41Å; I19-I363 HydrophobicContact CG2-CG1 4.3Å; I19-I363 HydrophobicContact CG2-CG2 4.35Å; I19-Y366 HydrophobicContact CB-CD1 4.48Å; I19-Y366 HydrophobicContact CB-CE1 4.46Å; I19-Y366 HydrophobicContact CG1-CE1 4.38Å; I19-Y366 HydrophobicContact CG2-CD1 3.89Å; I19-Y366 HydrophobicContact CG2-CE1 4.17Å; I19-Y366 HydrophobicContact CG2-CG 4.49Å; I19-Y366 WeakPolarHBondContact O-CB 3.4Å; I19-Y370 HydrophobicContact CG2-CD2 4.44Å; I19-Y370 HydrophobicContact CG2-CE2 4.26Å
20L85.3Confident78.3Confident1 Ų158.7 Ų58.71%0.00528%0.281CS..G310 helixtrans-94.82.4178.6-72167.9000113.4Y17 R18 P22 W128 F129 L138 F141 V142 I363Y17-L20 HydrophobicContact CD1-CD1 4.25Å; Y17-L20 PolarHBondContact O-N 3.21Å; R18-L20 PolarHBondContact O-N 2.98Å; L20-P22 WeakPolarHBondContact O-CD 3.47Å; L20-W128 HydrophobicContact CB-CH2 4.37Å; L20-F129 HydrophobicContact CB-CE1 4.37Å; L20-F129 HydrophobicContact CB-CZ 4.49Å; L20-F129 HydrophobicContact CD1-CE1 4.47Å; L20-L138 HydrophobicContact CD1-CB 4.37Å; L20-L138 HydrophobicContact CD1-CD2 3.89Å; L20-F141 HydrophobicContact CD2-CD1 4.31Å; L20-F141 HydrophobicContact CD2-CE1 4.18Å; L20-V142 HydrophobicContact CD1-CG2 3.56Å; L20-V142 HydrophobicContact CG-CG2 4.15Å; L20-I363 HydrophobicContact CD2-CD1 4.37Å; L20-I363 HydrophobicContact CD2-CG1 3.99Å
21K87.3Confident79.9Confident15 Ų1554.1 Ų54.17%0.06526%0.261CS..  trans-105.4102.7178.5-74.6-169.7170.4-1730110.2T13 R18 D25 V26 D29 F129T13-K21 PolarHBondContact OG1-NZ 3.49Å; R18-K21 PolarHBondContact O-N 3.15Å; R18-K21 VanDerWaalsContact O-N 3.11Å; K21-D25 HydrophobicContact CB-CB 4.33Å; K21-D25 HydrophobicContact CG-CB 4.39Å; K21-V26 HydrophobicContact CB-CG2 4.21Å; K21-D29 IonicContact NZ-OD2 2.8Å; K21-D29 PolarHBondContact NZ-OD2 3.07Å; K21-F129 HydrophobicContact CG-CE2 4.37Å; K21-F129 HydrophobicContact CG-CZ 4.13Å
22P89.1Confident81.6Confident2 Ų253.2 Ų53.21%0.01325%0.253CS..  trans-68.1171.7170.9-18.234.2000110.8L20 W24 D25 V26 M362 Q365L20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-W24 HydrophobicContact CB-CD2 3.73Å; P22-W24 HydrophobicContact CB-CE3 3.99Å; P22-W24 HydrophobicContact CB-CG 4.44Å; P22-W24 HydrophobicContact CB-CH2 3.72Å; P22-W24 HydrophobicContact CB-CZ2 3.43Å; P22-W24 VanDerWaalsContact CB-CZ2 3.43Å; P22-W24 HydrophobicContact CB-CZ3 3.98Å; P22-W24 HydrophobicContact CG-CD2 4.4Å; P22-W24 HydrophobicContact CG-CH2 4.04Å; P22-W24 HydrophobicContact CG-CZ2 3.39Å; P22-W24 PolarHBondContact O-N 3.35Å; P22-W24 VanDerWaalsContact O-N 3.12Å; P22-D25 PolarHBondContact O-N 3.4Å; P22-D25 VanDerWaalsContact O-N 3.11Å; P22-V26 PolarHBondContact O-N 2.96Å; P22-M362 HydrophobicContact CG-CE 3.57Å; P22-M362 HydrophobicContact CG-SD 4.28Å; P22-Q365 HydrophobicContact CB-CB 4.32Å; P22-Q365 HydrophobicContact CG-CB 4.45Å
23W91.1Very high83.1Confident117 Ų11751 Ų5144%0.44324%0.241SC..Hα-helixtrans-54.1-38.6-17664.5-94.9000113D25 V26 F27 Y322W23-D25 PolarHBondContact O-N 2.95Å; W23-V26 WeakPolarHBondContact O-CB 3.34Å; W23-V26 PolarHBondContact O-N 3.19Å; W23-F27 HydrophobicContact CE3-CD2 4.15Å; W23-F27 VanDerWaalsContact O-CD2 3.28Å; W23-F27 WeakPolarHBondContact O-CD2 3.49Å; W23-F27 PolarHBondContact O-N 3.24Å; W23-Y322 AromaticContact CH2-CD1 3.93Å; W23-Y322 HydrophobicContact CH2-CD1 3.93Å; W23-Y322 AromaticContact CH2-CE1 3.85Å; W23-Y322 HydrophobicContact CH2-CE1 3.85Å; W23-Y322 AromaticContact CZ2-CD1 3.94Å; W23-Y322 HydrophobicContact CZ2-CD1 3.94Å; W23-Y322 AromaticContact CZ2-CE1 3.36Å; W23-Y322 HydrophobicContact CZ2-CE1 3.36Å; W23-Y322 AromaticContact CZ2-CZ 3.77Å
24W92Very high84.5Confident0 Ų052.8 Ų52.80%025%0.249CC..Hα-helixtrans-62.2-40.3-179.350.478.9000113.2P22 F27 T28 Y248 I319 Y322 T323 W326 Q365P22-W24 HydrophobicContact CB-CD2 3.73Å; P22-W24 HydrophobicContact CB-CE3 3.99Å; P22-W24 HydrophobicContact CB-CG 4.44Å; P22-W24 HydrophobicContact CB-CH2 3.72Å; P22-W24 HydrophobicContact CB-CZ2 3.43Å; P22-W24 VanDerWaalsContact CB-CZ2 3.43Å; P22-W24 HydrophobicContact CB-CZ3 3.98Å; P22-W24 HydrophobicContact CG-CD2 4.4Å; P22-W24 HydrophobicContact CG-CH2 4.04Å; P22-W24 HydrophobicContact CG-CZ2 3.39Å; P22-W24 PolarHBondContact O-N 3.35Å; P22-W24 VanDerWaalsContact O-N 3.12Å; W24-F27 PolarHBondContact O-N 3.07Å; W24-T28 WeakPolarHBondContact O-CG2 3.46Å; W24-T28 PolarHBondContact O-N 3.18Å; W24-Y248 PolarHBondContact NE1-OH 2.8Å; W24-Y248 VanDerWaalsContact NE1-OH 3.1Å; W24-I319 HydrophobicContact CB-CG2 3.62Å; W24-Y322 AromaticContact CE3-CE1 3.88Å; W24-Y322 HydrophobicContact CE3-CE1 3.88Å; W24-Y322 HydrophobicContact CZ3-CE1 4.11Å; W24-T323 HydrophobicContact CB-CG2 3.59Å; W24-T323 HydrophobicContact CD2-CG2 3.77Å; W24-T323 HydrophobicContact CG-CG2 3.28Å; W24-W326 HydrophobicContact CH2-CD2 4.28Å; W24-W326 HydrophobicContact CH2-CE3 4.33Å; W24-W326 HydrophobicContact CH2-CH2 4.37Å; W24-W326 HydrophobicContact CH2-CZ2 4.29Å; W24-W326 HydrophobicContact CH2-CZ3 4.37Å; W24-W326 HydrophobicContact CZ2-CE3 4.23Å; W24-W326 HydrophobicContact CZ2-CH2 4.34Å; W24-W326 HydrophobicContact CZ2-CZ3 4.07Å; W24-Q365 HydrophobicContact CH2-CB 4.2Å; W24-Q365 HydrophobicContact CH2-CG 3.98Å
25D89.3Confident85.9Confident13 Ų1347.6 Ų47.67%0.0722%0.224CC..Hα-helixtrans-67.7-42.3179-76.1-25.8000110.2K21 P22 W23 F27 T28 D29 Y248K21-D25 HydrophobicContact CB-CB 4.33Å; K21-D25 HydrophobicContact CG-CB 4.39Å; P22-D25 PolarHBondContact O-N 3.4Å; P22-D25 VanDerWaalsContact O-N 3.11Å; W23-D25 PolarHBondContact O-N 2.95Å; D25-F27 PolarHBondContact O-N 3.01Å; D25-T28 WeakPolarHBondContact CA-OG1 3.5Å; D25-T28 PolarHBondContact O-N 3.12Å; D25-T28 VanDerWaalsContact O-N 3.17Å; D25-T28 PolarHBondContact O-OG1 3.07Å; D25-D29 PolarHBondContact O-N 3.37Å; D25-Y248 PolarHBondContact OD1-OH 3.19Å; D25-Y248 PolarHBondContact OD2-OH 3.28Å
26V89.6Confident87.2Confident54 Ų5443.8 Ų43.833%0.32720%0.199SC..Hα-helixtrans-57.3-47.7174.91780000111.1K21 P22 W23 T28 D29 Y30K21-V26 HydrophobicContact CB-CG2 4.21Å; P22-V26 PolarHBondContact O-N 2.96Å; W23-V26 WeakPolarHBondContact O-CB 3.34Å; W23-V26 PolarHBondContact O-N 3.19Å; V26-T28 PolarHBondContact O-N 3.49Å; V26-D29 PolarHBondContact O-N 3.48Å; V26-Y30 HydrophobicContact CG1-CD2 3.99Å; V26-Y30 HydrophobicContact CG1-CE2 3.57Å; V26-Y30 WeakPolarHBondContact O-CD2 3.3Å; V26-Y30 PolarHBondContact O-N 3.05Å
27F91.4Very high88.4Confident118 Ų11845.4 Ų45.452%0.51820%0.203SC..Hα-helixtrans-63.6-40.6176.5-89-93.7000112.3W23 W24 D25 D29 Y30 I31 I319W23-F27 HydrophobicContact CE3-CD2 4.15Å; W23-F27 VanDerWaalsContact O-CD2 3.28Å; W23-F27 WeakPolarHBondContact O-CD2 3.49Å; W23-F27 PolarHBondContact O-N 3.24Å; W24-F27 PolarHBondContact O-N 3.07Å; D25-F27 PolarHBondContact O-N 3.01Å; F27-D29 VanDerWaalsContact C-N 3.3Å; F27-D29 PolarHBondContact O-N 3.33Å; F27-Y30 PolarHBondContact O-N 2.82Å; F27-I31 VanDerWaalsContact O-CG1 3.31Å; F27-I31 WeakPolarHBondContact O-CG1 3.26Å; F27-I31 PolarHBondContact O-N 3.47Å; F27-I319 HydrophobicContact CB-CD1 3.99Å
28T90.7Very high89Confident3 Ų345.5 Ų45.52%0.01820%0.204CC..Hα-helixtrans-64.8-33.1178.666.20000113W24 D25 V26 S32 Y316 I319W24-T28 WeakPolarHBondContact O-CG2 3.46Å; W24-T28 PolarHBondContact O-N 3.18Å; D25-T28 WeakPolarHBondContact CA-OG1 3.5Å; D25-T28 PolarHBondContact O-N 3.12Å; D25-T28 VanDerWaalsContact O-N 3.17Å; D25-T28 PolarHBondContact O-OG1 3.07Å; V26-T28 PolarHBondContact O-N 3.49Å; T28-S32 WeakPolarHBondContact O-CB 3.48Å; T28-S32 PolarHBondContact O-N 3.25Å; T28-S32 PolarHBondContact O-OG 3.47Å; T28-Y316 HydrophobicContact CG2-CD2 4.27Å; T28-Y316 HydrophobicContact CG2-CE2 3.97Å; T28-I319 HydrophobicContact CG2-CG2 3.89Å
29D87.6Confident89.7Confident24 Ų2437.7 Ų37.713%0.12818%0.175CC..Hα-helixtrans-65.3-47.3175.1-74.6-18.4000110.9K21 D25 V26 F27 S32 I33K21-D29 IonicContact NZ-OD2 2.8Å; K21-D29 PolarHBondContact NZ-OD2 3.07Å; D25-D29 PolarHBondContact O-N 3.37Å; V26-D29 PolarHBondContact O-N 3.48Å; F27-D29 VanDerWaalsContact C-N 3.3Å; F27-D29 PolarHBondContact O-N 3.33Å; D29-S32 PolarHBondContact O-N 3.09Å; D29-I33 WeakPolarHBondContact O-CG1 3.48Å; D29-I33 PolarHBondContact O-N 2.81Å
30Y89.8Confident90Very high151 Ų15138.4 Ų38.459%0.59218%0.18SC*.Hα-helixtrans-64.3-43.3177.7-73.2-65.6000112.9V26 F27 S32 I33 I34V26-Y30 HydrophobicContact CG1-CD2 3.99Å; V26-Y30 HydrophobicContact CG1-CE2 3.57Å; V26-Y30 WeakPolarHBondContact O-CD2 3.3Å; V26-Y30 PolarHBondContact O-N 3.05Å; F27-Y30 PolarHBondContact O-N 2.82Å; Y30-S32 VanDerWaalsContact C-N 3.28Å; Y30-S32 PolarHBondContact O-N 2.9Å; Y30-I33 PolarHBondContact O-N 2.88Å; Y30-I34 WeakPolarHBondContact O-CG1 3.45Å; Y30-I34 PolarHBondContact O-N 3.12Å; Y30-I34 VanDerWaalsContact O-N 3.09Å
31I92.2Very high90.3Very high13 Ų1343.4 Ų43.47%0.06720%0.202CC..Hα-helixtrans-62.1-39.9177-65.4165.7000110.4F27 I33 I34 M35 L312 V315 Y316 I319F27-I31 VanDerWaalsContact O-CG1 3.31Å; F27-I31 WeakPolarHBondContact O-CG1 3.26Å; F27-I31 PolarHBondContact O-N 3.47Å; I31-I33 VanDerWaalsContact C-N 3.32Å; I31-I33 PolarHBondContact O-N 3.09Å; I31-I34 PolarHBondContact O-N 3.33Å; I31-M35 HydrophobicContact CG2-CG 4.33Å; I31-M35 HydrophobicContact CG2-SD 3.88Å; I31-M35 VanDerWaalsContact O-CG 3.29Å; I31-M35 WeakPolarHBondContact O-CG 3.17Å; I31-M35 PolarHBondContact O-N 3.07Å; I31-L312 HydrophobicContact CG2-CB 4.46Å; I31-V315 HydrophobicContact CD1-CG1 3.9Å; I31-Y316 HydrophobicContact CB-CD2 4.31Å; I31-Y316 HydrophobicContact CG2-CD2 4.06Å; I31-I319 HydrophobicContact CD1-CD1 3.76Å
32S90.3Very high90.5Very high3 Ų342.7 Ų42.72%0.02120%0.199CC..Hα-helixtrans-63-37.7176.7-57.60000112.1T28 D29 Y30 M35 L36 T118T28-S32 WeakPolarHBondContact O-CB 3.48Å; T28-S32 PolarHBondContact O-N 3.25Å; T28-S32 PolarHBondContact O-OG 3.47Å; D29-S32 PolarHBondContact O-N 3.09Å; Y30-S32 VanDerWaalsContact C-N 3.28Å; Y30-S32 PolarHBondContact O-N 2.9Å; S32-M35 PolarHBondContact O-N 2.73Å; S32-L36 WeakPolarHBondContact O-CB 3.29Å; S32-L36 PolarHBondContact O-N 3.07Å; S32-T118 WeakPolarHBondContact O-CG2 3.35Å
33I88.4Confident90.5Very high67 Ų6743.1 Ų43.134%0.34420%0.204SC..Hα-helixtrans-64-43.1174.5-66.5165.9000110.9D29 Y30 I31 L36 M37D29-I33 WeakPolarHBondContact O-CG1 3.48Å; D29-I33 PolarHBondContact O-N 2.81Å; Y30-I33 PolarHBondContact O-N 2.88Å; I31-I33 VanDerWaalsContact C-N 3.32Å; I31-I33 PolarHBondContact O-N 3.09Å; I33-L36 WeakPolarHBondContact O-CB 3.48Å; I33-L36 PolarHBondContact O-N 3.31Å; I33-M37 HydrophobicContact CG2-SD 4.43Å; I33-M37 WeakPolarHBondContact O-CG 3.41Å; I33-M37 PolarHBondContact O-N 3.35Å
34I90.9Very high90.5Very high68 Ų6839.6 Ų39.635%0.34920%0.196SC..Hα-helixtrans-64.4-43177.5-61.8168.9000110.7Y30 I31 L36 M37 I38 F308 L312Y30-I34 WeakPolarHBondContact O-CG1 3.45Å; Y30-I34 PolarHBondContact O-N 3.12Å; Y30-I34 VanDerWaalsContact O-N 3.09Å; I31-I34 PolarHBondContact O-N 3.33Å; I34-L36 VanDerWaalsContact C-N 3.27Å; I34-L36 PolarHBondContact O-N 2.75Å; I34-M37 WeakPolarHBondContact O-CB 3.3Å; I34-M37 PolarHBondContact O-N 2.81Å; I34-I38 HydrophobicContact CG2-CD1 4.4Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 3.13Å; I34-I38 VanDerWaalsContact O-N 3.07Å; I34-F308 HydrophobicContact CG2-CE1 4.3Å; I34-L312 HydrophobicContact CB-CD1 4.47Å; I34-L312 HydrophobicContact CG2-CD1 3.6Å; I34-L312 HydrophobicContact CG2-CD2 4.34Å
35M91.6Very high90.3Very high0 Ų040.7 Ų40.70%020%0.201CC..Hα-helixtrans-59.9-39.2175-68.5166.465.800111.7I31 S32 I38 A39 T118 F121 Y309 L312 V313I31-M35 HydrophobicContact CG2-CG 4.33Å; I31-M35 HydrophobicContact CG2-SD 3.88Å; I31-M35 VanDerWaalsContact O-CG 3.29Å; I31-M35 WeakPolarHBondContact O-CG 3.17Å; I31-M35 PolarHBondContact O-N 3.07Å; S32-M35 PolarHBondContact O-N 2.73Å; M35-I38 PolarHBondContact O-N 3.32Å; M35-A39 PolarHBondContact O-N 3.28Å; M35-T118 HydrophobicContact CB-CG2 4.03Å; M35-T118 WeakPolarHBondContact CB-OG1 3.42Å; M35-F121 HydrophobicContact CE-CD2 3.79Å; M35-F121 HydrophobicContact CE-CE2 3.87Å; M35-Y309 HydrophobicContact CB-CE2 4.4Å; M35-Y309 HydrophobicContact CE-CD2 4.46Å; M35-Y309 HydrophobicContact CE-CE2 3.49Å; M35-Y309 VanDerWaalsContact CE-CE2 3.49Å; M35-Y309 HydrophobicContact CG-CD2 4.34Å; M35-Y309 HydrophobicContact CG-CE2 4.18Å; M35-L312 HydrophobicContact CG-CB 4.38Å; M35-L312 HydrophobicContact CG-CD1 4.46Å; M35-V313 HydrophobicContact CE-CG2 3.75Å; M35-V313 HydrophobicContact SD-CG2 4.46Å
36L90.8Very high90.3Very high13 Ų1341 Ų417%0.06820%0.202CC..Hα-helixtrans-64.4-42.6175.9-170.465.8000111.7L7 S32 I33 I34 I38 A39 V40 L115 T118L7-L36 HydrophobicContact CB-CD2 3.77Å; L7-L36 HydrophobicContact CD1-CD1 4.23Å; L7-L36 HydrophobicContact CD1-CD2 4.3Å; S32-L36 WeakPolarHBondContact O-CB 3.29Å; S32-L36 PolarHBondContact O-N 3.07Å; I33-L36 WeakPolarHBondContact O-CB 3.48Å; I33-L36 PolarHBondContact O-N 3.31Å; I34-L36 VanDerWaalsContact C-N 3.27Å; I34-L36 PolarHBondContact O-N 2.75Å; L36-I38 VanDerWaalsContact C-N 3.32Å; L36-I38 PolarHBondContact O-N 3.29Å; L36-A39 WeakPolarHBondContact O-CB 3.43Å; L36-A39 PolarHBondContact O-N 3.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.5Å; L36-L115 HydrophobicContact CD1-CD1 3.44Å; L36-L115 VanDerWaalsContact CD1-CD1 3.44Å; L36-T118 HydrophobicContact CB-CG2 3.9Å; L36-T118 HydrophobicContact CD1-CG2 4.27Å
37M89.8Confident90.3Very high98 Ų9843.4 Ų43.448%0.48322%0.217SC..Hα-helixtrans-59.7-42.9176.5-70.4174.866.500111.6I4 I33 I34 A39 V40 F41I4-M37 HydrophobicContact CD1-CG 4.36Å; I33-M37 HydrophobicContact CG2-SD 4.43Å; I33-M37 WeakPolarHBondContact O-CG 3.41Å; I33-M37 PolarHBondContact O-N 3.35Å; I34-M37 WeakPolarHBondContact O-CB 3.3Å; I34-M37 PolarHBondContact O-N 2.81Å; M37-A39 VanDerWaalsContact C-N 3.34Å; M37-V40 PolarHBondContact O-N 3.09Å; M37-F41 WeakPolarHBondContact O-CB 3.33Å; M37-F41 PolarHBondContact O-N 3.34Å
38I91.4Very high90Very high12 Ų1242 Ų426%0.06222%0.219CC..Hα-helixtrans-61.9-43.7175.2-64.5163.8000110.8I34 M35 L36 F41 G42 L305 F308 L312I34-I38 HydrophobicContact CG2-CD1 4.4Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 3.13Å; I34-I38 VanDerWaalsContact O-N 3.07Å; M35-I38 PolarHBondContact O-N 3.32Å; L36-I38 VanDerWaalsContact C-N 3.32Å; L36-I38 PolarHBondContact O-N 3.29Å; I38-F41 PolarHBondContact O-N 2.94Å; I38-G42 PolarHBondContact O-N 2.89Å; I38-L305 HydrophobicContact CG2-CB 4.47Å; I38-L305 HydrophobicContact CG2-CD2 4.4Å; I38-F308 HydrophobicContact CD1-CD1 3.39Å; I38-F308 HydrophobicContact CD1-CE1 3.56Å; I38-F308 HydrophobicContact CG1-CD1 4.09Å; I38-F308 HydrophobicContact CG1-CE1 4.18Å; I38-L312 HydrophobicContact CD1-CD1 3.38Å
39A91.8Very high89.6Confident4 Ų447.4 Ų47.43%0.03324%0.243CC..Hα-helixtrans-59.9-49.3179.400000111.8M35 L36 M37 G43 V114 L115M35-A39 PolarHBondContact O-N 3.28Å; L36-A39 WeakPolarHBondContact O-CB 3.43Å; L36-A39 PolarHBondContact O-N 3.34Å; M37-A39 VanDerWaalsContact C-N 3.34Å; A39-G43 PolarHBondContact O-N 3.35Å; A39-V114 HydrophobicContact CB-CB 4.11Å; A39-V114 HydrophobicContact CB-CG1 3.73Å; A39-L115 HydrophobicContact CB-CB 3.85Å; A39-L115 HydrophobicContact CB-CD1 4.34Å
40V90.6Very high89.1Confident30 Ų3047.5 Ų47.518%0.18224%0.244CC..Hα-helixtrans-67.9-42.1-178.6174.40000110.8I4 L7 L36 M37 T44I4-V40 HydrophobicContact CG1-CB 4.43Å; I4-V40 HydrophobicContact CG1-CG1 4.11Å; I4-V40 HydrophobicContact CG1-CG2 4.42Å; L7-V40 HydrophobicContact CD1-CG2 4.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.5Å; M37-V40 PolarHBondContact O-N 3.09Å; V40-T44 WeakPolarHBondContact O-CB 3.29Å; V40-T44 PolarHBondContact O-N 2.82Å; V40-T44 PolarHBondContact O-OG1 3.4Å
41F91Very high88.8Confident106 Ų10647.7 Ų47.747%0.46525%0.248SC..Hα-helixtrans-62.6-51.9176.5178.5-108000111.6M37 I38 G43 T44 L45 L305M37-F41 WeakPolarHBondContact O-CB 3.33Å; M37-F41 PolarHBondContact O-N 3.34Å; I38-F41 PolarHBondContact O-N 2.94Å; F41-G43 VanDerWaalsContact C-N 3.34Å; F41-G43 PolarHBondContact O-N 3.43Å; F41-T44 PolarHBondContact O-N 3.45Å; F41-L45 HydrophobicContact CD1-CD1 3.97Å; F41-L45 HydrophobicContact CD2-CD1 4.48Å; F41-L45 HydrophobicContact CE1-CD1 3.43Å; F41-L45 VanDerWaalsContact CE1-CD1 3.43Å; F41-L45 HydrophobicContact CE2-CD1 4.01Å; F41-L45 HydrophobicContact CE2-CG 4.41Å; F41-L45 HydrophobicContact CG-CD1 4.47Å; F41-L45 HydrophobicContact CZ-CD1 3.47Å; F41-L45 VanDerWaalsContact CZ-CD1 3.47Å; F41-L45 HydrophobicContact CZ-CG 4.32Å; F41-L45 WeakPolarHBondContact O-CG 3.33Å; F41-L45 PolarHBondContact O-N 3.38Å; F41-L305 HydrophobicContact CD1-CD1 4.06Å; F41-L305 HydrophobicContact CD1-CD2 4.17Å; F41-L305 HydrophobicContact CE1-CD1 4.21Å; F41-L305 HydrophobicContact CE1-CD2 4.3Å
42G90.6Very high88.5Confident0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-59.8-43.1177.500000112.3I38 L45 Q46 P111I38-G42 PolarHBondContact O-N 2.89Å; G42-L45 PolarHBondContact O-N 2.83Å; G42-Q46 WeakPolarHBondContact O-CB 3.31Å; G42-Q46 PolarHBondContact O-N 3.32Å; G42-P111 VanDerWaalsContact C-CG 3.42Å
43G90.4Very high88.6Confident12 Ų1251.7 Ų51.712%0.12427%0.268CS..Hα-helixtrans-66.8-37.7179.600000112.5A39 F41 Q46 V47A39-G43 PolarHBondContact O-N 3.35Å; F41-G43 VanDerWaalsContact C-N 3.34Å; F41-G43 PolarHBondContact O-N 3.43Å; G43-Q46 PolarHBondContact O-N 3.43Å; G43-V47 WeakPolarHBondContact O-CG2 3.37Å; G43-V47 PolarHBondContact O-N 2.96Å
44T89.6Confident88.7Confident43 Ų4348.5 Ų48.526%0.26425%0.252SS..Hα-helixtrans-64.1-47.2175.8-57.90000111.1M1 V40 F41 Q46 V47 T48M1-T44 HydrophobicContact CE-CG2 4.02Å; V40-T44 WeakPolarHBondContact O-CB 3.29Å; V40-T44 PolarHBondContact O-N 2.82Å; V40-T44 PolarHBondContact O-OG1 3.4Å; F41-T44 PolarHBondContact O-N 3.45Å; T44-Q46 VanDerWaalsContact C-N 3.29Å; T44-Q46 PolarHBondContact O-N 3.02Å; T44-V47 PolarHBondContact O-N 3.18Å; T44-T48 WeakPolarHBondContact O-CB 3.38Å; T44-T48 WeakPolarHBondContact O-CG2 3.26Å; T44-T48 PolarHBondContact O-N 2.76Å; T44-T48 VanDerWaalsContact O-N 3.07Å; T44-T48 PolarHBondContact O-OG1 3.24Å
45L89.4Confident88.6Confident22 Ų2249.5 Ų49.512%0.11526%0.257CS..Hα-helixtrans-62.5-39.6176.5-71.3174000111.7F41 G42 T48 Q49 L301F41-L45 HydrophobicContact CD1-CD1 3.97Å; F41-L45 HydrophobicContact CD2-CD1 4.48Å; F41-L45 HydrophobicContact CE1-CD1 3.43Å; F41-L45 VanDerWaalsContact CE1-CD1 3.43Å; F41-L45 HydrophobicContact CE2-CD1 4.01Å; F41-L45 HydrophobicContact CE2-CG 4.41Å; F41-L45 HydrophobicContact CG-CD1 4.47Å; F41-L45 HydrophobicContact CZ-CD1 3.47Å; F41-L45 VanDerWaalsContact CZ-CD1 3.47Å; F41-L45 HydrophobicContact CZ-CG 4.32Å; F41-L45 WeakPolarHBondContact O-CG 3.33Å; F41-L45 PolarHBondContact O-N 3.38Å; G42-L45 PolarHBondContact O-N 2.83Å; L45-T48 PolarHBondContact O-N 3.28Å; L45-Q49 WeakPolarHBondContact O-CA 3.35Å; L45-Q49 WeakPolarHBondContact O-CB 3.41Å; L45-Q49 PolarHBondContact O-N 3.41Å; L45-L301 HydrophobicContact CD1-CD2 3.48Å; L45-L301 VanDerWaalsContact CD1-CD2 3.48Å
46Q89Confident88.5Confident19 Ų1949.6 Ų49.69%0.08926%0.258CS..Hα-helixtrans-63.6-45.9177.9-161.2-165.2-34.900112.2G42 G43 T44 T48 D50 K108 Y112 F302G42-Q46 WeakPolarHBondContact O-CB 3.31Å; G42-Q46 PolarHBondContact O-N 3.32Å; G43-Q46 PolarHBondContact O-N 3.43Å; T44-Q46 VanDerWaalsContact C-N 3.29Å; T44-Q46 PolarHBondContact O-N 3.02Å; Q46-T48 VanDerWaalsContact C-N 3.33Å; Q46-T48 PolarHBondContact O-N 3.49Å; Q46-D50 HydrophobicContact CG-CB 4.17Å; Q46-D50 WeakPolarHBondContact O-CB 3.49Å; Q46-D50 PolarHBondContact O-N 3.33Å; Q46-K108 PolarHBondContact NE2-O 3.42Å; Q46-K108 PolarHBondContact OE1-O 2.89Å; Q46-Y112 VanDerWaalsContact OE1-CE2 3.27Å; Q46-F302 HydrophobicContact CB-CZ 3.92Å; Q46-F302 HydrophobicContact CG-CE2 4.25Å; Q46-F302 HydrophobicContact CG-CZ 4.11Å
47V88.3Confident88.2Confident105 Ų10549.4 Ų49.464%0.63626%0.257SS*.Hα-helixtrans-70-32.7-178.8173.40000111.9G43 T44 Y112G43-V47 WeakPolarHBondContact O-CG2 3.37Å; G43-V47 PolarHBondContact O-N 2.96Å; T44-V47 PolarHBondContact O-N 3.18Å; V47-Y112 VanDerWaalsContact CG2-OH 3.22Å; V47-Y112 WeakPolarHBondContact CG2-OH 3.35Å
48T85.1Confident87.6Confident90 Ų9049.3 Ų49.355%0.55226%0.255SS*.Hα-helixtrans-95.6-32.1-171.756.20000114.3T44 L45 Q46T44-T48 WeakPolarHBondContact O-CB 3.38Å; T44-T48 WeakPolarHBondContact O-CG2 3.26Å; T44-T48 PolarHBondContact O-N 2.76Å; T44-T48 VanDerWaalsContact O-N 3.07Å; T44-T48 PolarHBondContact O-OG1 3.24Å; L45-T48 PolarHBondContact O-N 3.28Å; Q46-T48 VanDerWaalsContact C-N 3.33Å; Q46-T48 PolarHBondContact O-N 3.49Å
49Q82.8Confident87.1Confident115 Ų11555.1 Ų55.154%0.53728%0.276SS..Hα-helixtrans-124.4-2.3-168.2-62-175.2-1100114.4L45 K51L45-Q49 WeakPolarHBondContact O-CA 3.35Å; L45-Q49 WeakPolarHBondContact O-CB 3.41Å; L45-Q49 PolarHBondContact O-N 3.41Å; Q49-K51 PolarHBondContact O-N 2.88Å
50D77.8Confident86.3Confident27 Ų2758.2 Ų58.214%0.14429%0.291CS..  trans-73.791.8-177.5-160.818.2000111.2Q46 Y99 H296 L298Q46-D50 HydrophobicContact CG-CB 4.17Å; Q46-D50 WeakPolarHBondContact O-CB 3.49Å; Q46-D50 PolarHBondContact O-N 3.33Å; D50-Y99 WeakPolarHBondContact OD2-CE2 3.38Å; D50-Y99 VanDerWaalsContact OD2-CZ 3.28Å; D50-Y99 PolarHBondContact OD2-OH 3.11Å; D50-H296 IonicContact OD1-CD2 3.68Å; D50-H296 PolarHBondContact OD1-CD2 3.07Å; D50-H296 IonicContact OD1-CE1 3.58Å; D50-H296 IonicContact OD1-NE2 3.61Å; D50-H296 PolarHBondContact OD1-NE2 2.87Å; D50-L298 HydrophobicContact CB-CD1 3.76Å
51K82.2Confident85.3Confident154 Ų15462 Ų6267%0.6731%0.31SS*.  trans-123.8120.7174.2-66.4-178.1-178.3178.80108.3Q49 P297Q49-K51 PolarHBondContact O-N 2.88Å; K51-P297 WeakPolarHBondContact O-CD 3.19Å
52M87.3Confident84Confident7 Ų764.4 Ų64.43%0.03433%0.327CS..  trans-91.2133.3169.6-178.1164.3159.300108.1D95 C98 Y99 L103 V277 C294M52-D95 VanDerWaalsContact O-CB 3.31Å; M52-D95 WeakPolarHBondContact O-CB 3.38Å; M52-C98 HydrophobicContact CE-CB 3.63Å; M52-Y99 HydrophobicContact CB-CD2 4.01Å; M52-Y99 VanDerWaalsContact SD-CA 3.58Å; M52-Y99 HydrophobicContact SD-CD2 4.25Å; M52-L103 HydrophobicContact SD-CB 4.31Å; M52-V277 HydrophobicContact CE-CB 4.43Å; M52-C294 HydrophobicContact CE-CB 3.19Å; M52-C294 WeakPolarHBondContact CE-SG 3.35Å; M52-C294 HydrophobicContact CG-CB 3.99Å; M52-C294 HydrophobicContact SD-CB 4.38Å
53I91.6Very high82.9Confident94 Ų9468.5 Ų68.548%0.48235%0.349SS..EExtended strand (participates in β ladder)trans-113.8114.8-177-57.5171.6000108C294 A295I53-C294 CarbonylContact O-C 3.59Å; I53-C294 VanDerWaalsContact O-CA 3.24Å; I53-C294 WeakPolarHBondContact O-CA 3.48Å; I53-A295 PolarHBondContact N-O 3.41Å; I53-A295 PolarHBondContact O-N 2.92Å
54C90.8Very high81.8Confident0 Ų071.1 Ų71.10%036%0.363CS..EExtended strand (participates in β ladder)trans-112.4132-177-64.90000111.6Y91 V94 D95 C98 F292 Y293 C294C54-Y91 WeakPolarHBondContact O-CD1 3.32Å; C54-V94 HydrophobicContact CB-CG1 3.76Å; C54-D95 WeakPolarHBondContact CA-OD1 3.28Å; C54-D95 VanDerWaalsContact CB-OD1 3.25Å; C54-D95 WeakPolarHBondContact CB-OD1 3.01Å; C54-D95 PolarHBondContact N-OD1 2.81Å; C54-C98 WeakPolarHBondContact SG-CB 3.34Å; C54-F292 HydrophobicContact CB-CB 4.44Å; C54-Y293 WeakPolarHBondContact CA-O 3.38Å; C54-C294 HydrophobicContact CB-CB 4.07Å; C54-C294 WeakPolarHBondContact CB-SG 3.44Å; C54-C294 WeakPolarHBondContact SG-CB 3.09Å; C54-C294 CovalentContact SG-SG 2.03Å; C54-C294 PolarHBondContact SG-SG 2.84Å
55L89.6Confident80.8Confident88 Ų8870.3 Ų70.346%0.46136%0.358SS..EExtended strand (participates in β ladder)trans-119.2138173.5-63.6175.7000110.1Y91 F292 Y293L55-Y91 HydrophobicContact CD2-CD1 4.33Å; L55-Y91 HydrophobicContact CD2-CE1 3.74Å; L55-F292 CarbonylContact O-C 3.57Å; L55-F292 VanDerWaalsContact O-CA 3.3Å; L55-F292 WeakPolarHBondContact O-CA 3.31Å; L55-Y293 PolarHBondContact N-O 3.02Å; L55-Y293 PolarHBondContact O-N 2.8Å
56P88.4Confident79.4Confident3 Ų373.4 Ų73.42%0.01938%0.375CS..EExtended strand (participates in β ladder)trans-67.8153176.329.2-35.9000111.2Y84 L86 Y289 F292P56-Y84 HydrophobicContact CB-CD1 4.37Å; P56-Y84 HydrophobicContact CG-CD1 3.56Å; P56-Y84 HydrophobicContact CG-CD2 4.34Å; P56-Y84 HydrophobicContact CG-CE1 4.04Å; P56-Y84 HydrophobicContact CG-CG 3.72Å; P56-Y84 VanDerWaalsContact O-CE1 3.26Å; P56-Y84 WeakPolarHBondContact O-CE1 3.33Å; P56-L86 HydrophobicContact CB-CD1 4.47Å; P56-L86 HydrophobicContact CG-CD1 3.84Å; P56-Y289 HydrophobicContact CB-CD1 3.75Å; P56-Y289 HydrophobicContact CB-CD2 3.57Å; P56-Y289 HydrophobicContact CB-CE1 4.23Å; P56-Y289 HydrophobicContact CB-CE2 4.05Å; P56-Y289 HydrophobicContact CB-CG 3.42Å; P56-Y289 VanDerWaalsContact CB-CG 3.42Å; P56-Y289 HydrophobicContact CG-CD2 4.08Å; P56-Y289 HydrophobicContact CG-CE2 4.14Å; P56-Y289 HydrophobicContact CG-CG 4.37Å; P56-F292 VanDerWaalsContact CA-CD1 3.46Å; P56-F292 HydrophobicContact CB-CD1 3.82Å; P56-F292 HydrophobicContact CB-CE1 3.68Å
57C84.6Confident78Confident8 Ų876.8 Ų76.85%0.05441%0.407CS..  trans-110.9134.7169.8-173.70000112.5W59 C65 L291C57-W59 PolarHBondContact SG-N 3.25Å; C57-W59 VanDerWaalsContact SG-N 3.42Å; C57-W59 PolarHBondContact SG-O 2.99Å; C57-C65 HydrophobicContact CB-CB 3.42Å; C57-C65 VanDerWaalsContact CB-CB 3.42Å; C57-C65 WeakPolarHBondContact CB-SG 3.49Å; C57-C65 WeakPolarHBondContact SG-CB 3.5Å; C57-C65 CovalentContact SG-SG 1.98Å; C57-C65 PolarHBondContact SG-SG 3Å; C57-L291 PolarHBondContact N-O 2.83Å
58K78.3Confident76.5Confident97 Ų9777.9 Ų77.942%0.42241%0.406SS..SBendtrans-84.2-34.1175.7-73.7-174.4-179-163.10113.7I82 R83 Y84 Y289K58-I82 HydrophobicContact CD-CG2 4.12Å; K58-R83 WeakPolarHBondContact CE-O 3.37Å; K58-R83 PolarHBondContact NZ-O 3.2Å; K58-Y84 HydrophobicContact CD-CD1 4.36Å; K58-Y84 HydrophobicContact CD-CE1 4.28Å; K58-Y84 HydrophobicContact CG-CD1 4.12Å; K58-Y84 HydrophobicContact CG-CE1 3.92Å; K58-Y289 HydrophobicContact CG-CE1 3.99Å
59W79.9Confident75Confident134 Ų13478.7 Ų78.751%0.50841%0.413SS..  trans-103.8100.6-172.4-49.4110.7000109.5C57 C65 D66 M68C57-W59 PolarHBondContact SG-N 3.25Å; C57-W59 VanDerWaalsContact SG-N 3.42Å; C57-W59 PolarHBondContact SG-O 2.99Å; W59-C65 VanDerWaalsContact O-CA 3.28Å; W59-C65 WeakPolarHBondContact O-CA 3.46Å; W59-D66 PolarHBondContact O-N 3.18Å; W59-M68 HydrophobicContact CZ2-CE 4.46Å; W59-M68 HydrophobicContact CZ2-SD 4.17Å
60I74.8Confident73.5Confident68 Ų6881 Ų8135%0.34943%0.429SS..EExtended strand (participates in β ladder)trans-111.8115.1-177.6-56.4171.5000108.4L291I60-L291 HydrophobicContact CD1-CB 3.77Å; I60-L291 HydrophobicContact CG1-CB 4.15Å; I60-L291 HydrophobicContact CG1-CD2 4.23Å; I60-L291 HydrophobicContact CG2-CD2 4.33Å
61L69.1Low72.2Confident111 Ų11183 Ų8358%0.58146%0.457SS*.EExtended strand (participates in β ladder)trans-124.1127.4168.6-117.996.3000108.2D63 T64L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.84Å; L61-T64 PolarHBondContact N-O 3.45Å; L61-T64 CarbonylContact O-C 3.2Å; L61-T64 PolarHBondContact O-N 3.41Å; L61-T64 PolarHBondContact O-OG1 3.24Å
62N65.3Low70.7Confident155 Ų15582.8 Ų82.883%0.82947%0.468SS*.THydrogen-bonded Turntrans50.743.7179.2-66-14.4000115T64N62-T64 PolarHBondContact O-N 2.83Å
63D65.9Low68.9Low87 Ų8785.2 Ų85.247%0.46550%0.495SS..THydrogen-bonded Turntrans57.912.2-176.8-81.2-33.6000115L61 R290L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.84Å; D63-R290 IonicContact OD1-CZ 2.91Å; D63-R290 IonicContact OD1-NE 3.05Å; D63-R290 IonicContact OD1-NH2 3.3Å; D63-R290 PolarHBondContact OD1-NH2 2.81Å; D63-R290 IonicContact OD2-NH2 2.74Å; D63-R290 PolarHBondContact OD2-NH2 3.4Å
64T68Low67Low67 Ų6788.7 Ų88.741%0.41151%0.513SS..EExtended strand (participates in β ladder)trans-109.9146.2167.9450000109.9L61 N62L61-T64 PolarHBondContact N-O 3.45Å; L61-T64 CarbonylContact O-C 3.2Å; L61-T64 PolarHBondContact O-N 3.41Å; L61-T64 PolarHBondContact O-OG1 3.24Å; N62-T64 PolarHBondContact O-N 2.83Å
65C68.7Low65.3Low25 Ų2599 Ų9917%0.16955%0.553CS.*EExtended strand (participates in β ladder)trans-95.9105.4176.8156.70000108.8C57 W59 L291 Y293C57-C65 HydrophobicContact CB-CB 3.42Å; C57-C65 VanDerWaalsContact CB-CB 3.42Å; C57-C65 WeakPolarHBondContact CB-SG 3.49Å; C57-C65 WeakPolarHBondContact SG-CB 3.5Å; C57-C65 CovalentContact SG-SG 1.98Å; C57-C65 PolarHBondContact SG-SG 3Å; W59-C65 VanDerWaalsContact O-CA 3.28Å; W59-C65 WeakPolarHBondContact O-CA 3.46Å; C65-L291 HydrophobicContact CB-CD2 3.71Å; C65-Y293 HydrophobicContact CB-CD2 3.77Å; C65-Y293 HydrophobicContact CB-CE2 3.19Å; C65-Y293 PolarHBondContact O-OH 2.8Å; C65-Y293 WeakPolarHBondContact SG-CE2 3.3Å
66D61Low63.8Low87 Ų8799.5 Ų99.547%0.46557%0.57SS.*  trans-84.9150.6-176.6-88.2-33.6000111.5W59W59-D66 PolarHBondContact O-N 3.18Å
67A58.8Low62.7Low91 Ų91105 Ų10575%0.75261%0.605SS**  trans-62.7144165.800000109.2
68M56.4Low61.9Low128 Ų128113 Ų11363%0.63164%0.642SS**  trans-35.5128.3176.5-167.8121.2177.900111.3W59 N70W59-M68 HydrophobicContact CZ2-CE 4.46Å; W59-M68 HydrophobicContact CZ2-SD 4.17Å; M68-N70 PolarHBondContact O-N 3.38Å
69P54.4Low61.8Low106 Ų106114.7 Ų114.769%0.68866%0.663SS**  trans-57.6121.117521-29.8000108.3G71P69-G71 PolarHBondContact O-N 3.22Å
70N51.4Low61.4Low163 Ų163117.8 Ų117.887%0.87268%0.68SS**  trans-53.7101.3-178.8-89.9-14.4000109.6M68 T72M68-N70 PolarHBondContact O-N 3.38Å; N70-T72 PolarHBondContact O-N 3Å; N70-T72 VanDerWaalsContact O-N 3.13Å
71G49.6Very low61.6Low71 Ų71117.9 Ų117.973%0.73270%0.698SS**  trans-68.7105.716600000108P69 G73P69-G71 PolarHBondContact O-N 3.22Å; G71-G73 PolarHBondContact O-N 3.45Å
72T50.3Low62.2Low149 Ų149117.4 Ų117.491%0.91470%0.695SS**  trans-63.398.6167.746.50000108.6N70N70-T72 PolarHBondContact O-N 3Å; N70-T72 VanDerWaalsContact O-N 3.13Å
73G49.5Very low63.1Low57 Ų57119.7 Ų119.759%0.58869%0.692SS**  trans-159.9123.7177.100000111.1G71 Y75G71-G73 PolarHBondContact O-N 3.45Å; G73-Y75 PolarHBondContact O-N 3.03Å
74I53.3Low63.9Low167 Ų167117.8 Ų117.886%0.85668%0.679SS**SBendtrans-69.813.3-169.8-69.4170.7000114.1
75Y55.2Low64.8Low218 Ų218121.7 Ų121.786%0.85570%0.697SS**  trans-14292.8173.1-78-88.5000110.2G73G73-Y75 PolarHBondContact O-N 3.03Å
76A56.4Low65.6Low98 Ų98121.9 Ų121.981%0.8170%0.696SS**PPolyproline II helixtrans-85121.6169.200000109.2
77P65.3Low67Low117 Ų117122.4 Ų122.476%0.7670%0.699SS**PPolyproline II helixtrans-64.5155.5171.826-31.6000111
78E67.9Low68.5Low176 Ų176125.3 Ų125.382%0.82269%0.69SS**PPolyproline II helixtrans-49.2136.7174.4-75-176.6164.800111.2K80E78-K80 PolarHBondContact O-N 3.33Å
79P76.1Confident70.1Confident133 Ų133126.1 Ų126.186%0.86469%0.693SS**  trans-65.3106.8-174.525.8-33.6000110.9
80K72.5Confident71.7Confident199 Ų199124.1 Ų124.187%0.86567%0.674SS**PPolyproline II helixtrans-84.3117.2165.7-65.6179.2-178.5177.10107.5E78E78-K80 PolarHBondContact O-N 3.33Å
81G77.9Confident73.6Confident71 Ų71118.1 Ų118.173%0.73264%0.639SS**PPolyproline II helixtrans-52.6159.4-17900000114
82I83.1Confident75.5Confident101 Ų101118.1 Ų118.152%0.51862%0.623SS.*PPolyproline II helixtrans-78.8128-175.3-55170.2000110.4K58 Y84K58-I82 HydrophobicContact CD-CG2 4.12Å; I82-Y84 HydrophobicContact CB-CD2 4.49Å; I82-Y84 HydrophobicContact CB-CE2 3.88Å; I82-Y84 WeakPolarHBondContact CD1-OH 3.42Å; I82-Y84 HydrophobicContact CG2-CD1 4.01Å; I82-Y84 HydrophobicContact CG2-CD2 4.09Å; I82-Y84 HydrophobicContact CG2-CE1 3.62Å; I82-Y84 HydrophobicContact CG2-CE2 3.69Å; I82-Y84 HydrophobicContact CG2-CG 4.24Å; I82-Y84 VanDerWaalsContact CG2-CZ 3.44Å
83R83.6Confident77.4Confident202 Ų202116.5 Ų116.576%0.76260%0.6SS**PPolyproline II helixtrans-95.5118.3169.8-62.7-176.7-177.9-176.5-0.7109.8K58K58-R83 WeakPolarHBondContact CE-O 3.37Å; K58-R83 PolarHBondContact NZ-O 3.2Å
84Y83.6Confident79.3Confident48 Ų48113.8 Ų113.819%0.18857%0.573CS.*  trans-102.2-3.2-178.9-65.2-76.6000113.9P56 K58 I82 L86 Y289P56-Y84 HydrophobicContact CB-CD1 4.37Å; P56-Y84 HydrophobicContact CG-CD1 3.56Å; P56-Y84 HydrophobicContact CG-CD2 4.34Å; P56-Y84 HydrophobicContact CG-CE1 4.04Å; P56-Y84 HydrophobicContact CG-CG 3.72Å; P56-Y84 VanDerWaalsContact O-CE1 3.26Å; P56-Y84 WeakPolarHBondContact O-CE1 3.33Å; K58-Y84 HydrophobicContact CD-CD1 4.36Å; K58-Y84 HydrophobicContact CD-CE1 4.28Å; K58-Y84 HydrophobicContact CG-CD1 4.12Å; K58-Y84 HydrophobicContact CG-CE1 3.92Å; I82-Y84 HydrophobicContact CB-CD2 4.49Å; I82-Y84 HydrophobicContact CB-CE2 3.88Å; I82-Y84 WeakPolarHBondContact CD1-OH 3.42Å; I82-Y84 HydrophobicContact CG2-CD1 4.01Å; I82-Y84 HydrophobicContact CG2-CD2 4.09Å; I82-Y84 HydrophobicContact CG2-CE1 3.62Å; I82-Y84 HydrophobicContact CG2-CE2 3.69Å; I82-Y84 HydrophobicContact CG2-CG 4.24Å; I82-Y84 VanDerWaalsContact CG2-CZ 3.44Å; Y84-L86 PolarHBondContact O-N 3.26Å; Y84-L86 VanDerWaalsContact O-N 3.13Å; Y84-Y289 HydrophobicContact CD1-CE1 4.46Å; Y84-Y289 WeakPolarHBondContact O-CE2 3.17Å; Y84-Y289 PolarHBondContact O-OH 2.83Å
85D85.3Confident81.1Confident148 Ų148106.9 Ų106.979%0.79154%0.538SS*.  trans5039.3175.4-53-30.3000114.8
86L87.1Confident82.8Confident29 Ų2999.2 Ų99.215%0.15252%0.519CS..  trans-110.7141.4175.2-78.4177.4000111.1P56 Y84 Q90 Y91 T287 Y289P56-L86 HydrophobicContact CB-CD1 4.47Å; P56-L86 HydrophobicContact CG-CD1 3.84Å; Y84-L86 PolarHBondContact O-N 3.26Å; Y84-L86 VanDerWaalsContact O-N 3.13Å; L86-Q90 HydrophobicContact CD2-CB 4.33Å; L86-Y91 HydrophobicContact CB-CD2 4.04Å; L86-Y91 HydrophobicContact CB-CE2 3.4Å; L86-Y91 VanDerWaalsContact CB-CE2 3.4Å; L86-Y91 HydrophobicContact CD1-CE1 4.2Å; L86-Y91 HydrophobicContact CD1-CE2 4.24Å; L86-Y91 HydrophobicContact CG-CE2 4.48Å; L86-T287 WeakPolarHBondContact CD2-O 3.29Å; L86-Y289 HydrophobicContact CD1-CD2 3.99Å; L86-Y289 HydrophobicContact CD1-CE2 4.07Å; L86-Y289 HydrophobicContact CG-CD2 4.36Å; L86-Y289 HydrophobicContact CG-CE2 4.11Å
87D89.8Confident84.4Confident99 Ų9995.7 Ų95.753%0.52949%0.487SS..  trans-77151.7172.5-176.827.8000111.7H89 Q90 Y91D87-H89 PolarHBondContact O-N 3.01Å; D87-Q90 HydrophobicContact CB-CG 4.47Å; D87-Q90 WeakPolarHBondContact O-CB 3.14Å; D87-Q90 PolarHBondContact O-N 2.95Å; D87-Y91 WeakPolarHBondContact O-CD2 3.19Å; D87-Y91 PolarHBondContact O-N 3.04Å
88R90.4Very high85.5Confident151 Ų15190.1 Ų90.157%0.5745%0.451SS*.Hα-helixtrans-58.2-33.8-179.8-17562.3-179.3119.8-0.1112.6Y91 N92R88-Y91 PolarHBondContact O-N 3.13Å; R88-N92 PolarHBondContact NH1-OD1 2.61Å; R88-N92 PolarHBondContact O-N 3.22Å
89H89.2Confident86.6Confident146 Ų14684.1 Ų84.168%0.67642%0.421SS*.Hα-helixtrans-66-37.3174.9-94.949.3000112.5D87 Y91 N92 Y93D87-H89 PolarHBondContact O-N 3.01Å; H89-Y91 VanDerWaalsContact C-N 3.35Å; H89-N92 PolarHBondContact O-N 3.1Å; H89-Y93 PolarHBondContact O-N 3.44Å
90Q88.8Confident87.3Confident64 Ų6483 Ų8330%0.29941%0.405SS..Hα-helixtrans-67.3-36.7176.7-65.3174.6-48.300111.3L86 D87 Y93 V94 L286L86-Q90 HydrophobicContact CD2-CB 4.33Å; D87-Q90 HydrophobicContact CB-CG 4.47Å; D87-Q90 WeakPolarHBondContact O-CB 3.14Å; D87-Q90 PolarHBondContact O-N 2.95Å; Q90-Y93 PolarHBondContact O-N 2.99Å; Q90-V94 WeakPolarHBondContact O-CG2 3.5Å; Q90-V94 PolarHBondContact O-N 3.06Å; Q90-L286 PolarHBondContact NE2-O 3.33Å
91Y90.1Very high88Confident37 Ų3778.8 Ų78.815%0.14539%0.392CS..Hα-helixtrans-58.5-47.6170.8-79-79.2000112.2C54 L55 L86 D87 R88 H89 Y93 V94 D95C54-Y91 WeakPolarHBondContact O-CD1 3.32Å; L55-Y91 HydrophobicContact CD2-CD1 4.33Å; L55-Y91 HydrophobicContact CD2-CE1 3.74Å; L86-Y91 HydrophobicContact CB-CD2 4.04Å; L86-Y91 HydrophobicContact CB-CE2 3.4Å; L86-Y91 VanDerWaalsContact CB-CE2 3.4Å; L86-Y91 HydrophobicContact CD1-CE1 4.2Å; L86-Y91 HydrophobicContact CD1-CE2 4.24Å; L86-Y91 HydrophobicContact CG-CE2 4.48Å; D87-Y91 WeakPolarHBondContact O-CD2 3.19Å; D87-Y91 PolarHBondContact O-N 3.04Å; R88-Y91 PolarHBondContact O-N 3.13Å; H89-Y91 VanDerWaalsContact C-N 3.35Å; Y91-Y93 VanDerWaalsContact C-N 3.26Å; Y91-Y93 PolarHBondContact O-N 3.16Å; Y91-V94 PolarHBondContact O-N 3.05Å; Y91-D95 WeakPolarHBondContact O-CB 3.05Å; Y91-D95 PolarHBondContact O-N 3.46Å
92N90.6Very high88.5Confident71 Ų7179.3 Ų79.338%0.3837%0.374SS..Hα-helixtrans-62.1-35.3178.5-65.5-21.9000112.3R88 H89 A96R88-N92 PolarHBondContact NH1-OD1 2.61Å; R88-N92 PolarHBondContact O-N 3.22Å; H89-N92 PolarHBondContact O-N 3.1Å; N92-A96 PolarHBondContact O-N 3.42Å; N92-A96 VanDerWaalsContact O-N 3.09Å
93Y90.1Very high88.7Confident114 Ų11475.1 Ų75.145%0.44735%0.352SS..Hα-helixtrans-65.8-45.8174.4177.7-96.8000111.7H89 Q90 Y91 D95 A96 V97 M283 L286H89-Y93 PolarHBondContact O-N 3.44Å; Q90-Y93 PolarHBondContact O-N 2.99Å; Y91-Y93 VanDerWaalsContact C-N 3.26Å; Y91-Y93 PolarHBondContact O-N 3.16Å; Y93-D95 VanDerWaalsContact C-N 3.34Å; Y93-D95 PolarHBondContact O-N 2.8Å; Y93-A96 PolarHBondContact O-N 2.89Å; Y93-V97 HydrophobicContact CD1-CG2 4.21Å; Y93-V97 HydrophobicContact CD2-CG2 4.43Å; Y93-V97 HydrophobicContact CE1-CG2 3.76Å; Y93-V97 HydrophobicContact CE2-CG2 4.01Å; Y93-V97 WeakPolarHBondContact O-CG2 3.17Å; Y93-V97 PolarHBondContact O-N 3.02Å; Y93-M283 HydrophobicContact CD1-SD 4.21Å; Y93-M283 HydrophobicContact CE1-SD 3.64Å; Y93-L286 HydrophobicContact CD1-CD2 3.86Å; Y93-L286 HydrophobicContact CE1-CD2 3.43Å; Y93-L286 VanDerWaalsContact CE1-CD2 3.43Å
94V89.8Confident89Confident1 Ų168.2 Ų68.21%0.00633%0.328CS..Hα-helixtrans-60.9-44.6175.7172.70000110.9C54 Q90 Y91 A96 V97 C98 M283 T287 F292C54-V94 HydrophobicContact CB-CG1 3.76Å; Q90-V94 WeakPolarHBondContact O-CG2 3.5Å; Q90-V94 PolarHBondContact O-N 3.06Å; Y91-V94 PolarHBondContact O-N 3.05Å; V94-A96 VanDerWaalsContact C-N 3.31Å; V94-A96 PolarHBondContact O-N 3.41Å; V94-V97 PolarHBondContact O-N 2.74Å; V94-C98 VanDerWaalsContact O-CB 3.26Å; V94-C98 WeakPolarHBondContact O-CB 3.33Å; V94-C98 PolarHBondContact O-N 3.02Å; V94-C98 PolarHBondContact O-SG 3.16Å; V94-C98 VanDerWaalsContact O-SG 3.4Å; V94-M283 HydrophobicContact CG1-CE 4.39Å; V94-M283 HydrophobicContact CG2-CE 4.38Å; V94-T287 HydrophobicContact CG2-CG2 3.76Å; V94-F292 HydrophobicContact CB-CE1 4.43Å; V94-F292 HydrophobicContact CG1-CB 4.36Å; V94-F292 HydrophobicContact CG1-CD1 3.49Å; V94-F292 VanDerWaalsContact CG1-CD1 3.49Å; V94-F292 HydrophobicContact CG1-CD2 4.18Å; V94-F292 HydrophobicContact CG1-CE1 3.72Å; V94-F292 HydrophobicContact CG1-CE2 4.38Å; V94-F292 HydrophobicContact CG1-CG 3.75Å; V94-F292 HydrophobicContact CG1-CZ 4.17Å; V94-F292 HydrophobicContact CG2-CD1 4.5Å; V94-F292 HydrophobicContact CG2-CE1 3.87Å; V94-F292 HydrophobicContact CG2-CZ 3.98Å
95D91.1Very high89.4Confident22 Ų2271 Ų7112%0.11834%0.339CS..Hα-helixtrans-54.3-48.3176.1-69.3-16.9000110.6M52 C54 Y91 Y93 Y99M52-D95 VanDerWaalsContact O-CB 3.31Å; M52-D95 WeakPolarHBondContact O-CB 3.38Å; C54-D95 WeakPolarHBondContact CA-OD1 3.28Å; C54-D95 VanDerWaalsContact CB-OD1 3.25Å; C54-D95 WeakPolarHBondContact CB-OD1 3.01Å; C54-D95 PolarHBondContact N-OD1 2.81Å; Y91-D95 WeakPolarHBondContact O-CB 3.05Å; Y91-D95 PolarHBondContact O-N 3.46Å; Y93-D95 VanDerWaalsContact C-N 3.34Å; Y93-D95 PolarHBondContact O-N 2.8Å; D95-Y99 WeakPolarHBondContact O-CB 2.97Å; D95-Y99 PolarHBondContact O-N 3.44Å
96A90Very high89.8Confident57 Ų5764 Ų6447%0.47130%0.301SS..Hα-helixtrans-65.6-44.3179.300000113.1N92 Y93 V94 Y99 E100N92-A96 PolarHBondContact O-N 3.42Å; N92-A96 VanDerWaalsContact O-N 3.09Å; Y93-A96 PolarHBondContact O-N 2.89Å; V94-A96 VanDerWaalsContact C-N 3.31Å; V94-A96 PolarHBondContact O-N 3.41Å; A96-Y99 PolarHBondContact O-N 2.92Å; A96-E100 WeakPolarHBondContact O-CB 3.22Å; A96-E100 PolarHBondContact O-N 2.89Å
97V90.1Very high89.8Confident23 Ų2362.8 Ų62.814%0.13930%0.295CS..Hα-helixtrans-68.6-41.3-179.3175.20000111.5Y93 V94 E100 N101 V281 M283Y93-V97 HydrophobicContact CD1-CG2 4.21Å; Y93-V97 HydrophobicContact CD2-CG2 4.43Å; Y93-V97 HydrophobicContact CE1-CG2 3.76Å; Y93-V97 HydrophobicContact CE2-CG2 4.01Å; Y93-V97 WeakPolarHBondContact O-CG2 3.17Å; Y93-V97 PolarHBondContact O-N 3.02Å; V94-V97 PolarHBondContact O-N 2.74Å; V97-E100 PolarHBondContact O-N 3.38Å; V97-N101 WeakPolarHBondContact CG1-ND2 3.36Å; V97-N101 WeakPolarHBondContact O-CB 3.27Å; V97-N101 PolarHBondContact O-N 2.98Å; V97-N101 PolarHBondContact O-ND2 3.33Å; V97-V281 HydrophobicContact CG1-CG1 3.92Å; V97-V281 HydrophobicContact CG1-CG2 4.47Å; V97-M283 HydrophobicContact CB-CE 4.01Å; V97-M283 HydrophobicContact CB-SD 3.79Å; V97-M283 HydrophobicContact CG1-CE 3.76Å; V97-M283 HydrophobicContact CG1-SD 3.58Å; V97-M283 VanDerWaalsContact CG1-SD 3.58Å; V97-M283 HydrophobicContact CG2-SD 3.93Å
98C89.4Confident89.8Confident0 Ų058.5 Ų58.50%027%0.272CS..Hα-helixtrans-70.1-38176.8-71.80000111.7M52 C54 V94 E100 K102 L103 C279M52-C98 HydrophobicContact CE-CB 3.63Å; C54-C98 WeakPolarHBondContact SG-CB 3.34Å; V94-C98 VanDerWaalsContact O-CB 3.26Å; V94-C98 WeakPolarHBondContact O-CB 3.33Å; V94-C98 PolarHBondContact O-N 3.02Å; V94-C98 PolarHBondContact O-SG 3.16Å; V94-C98 VanDerWaalsContact O-SG 3.4Å; C98-E100 VanDerWaalsContact C-N 3.33Å; C98-K102 WeakPolarHBondContact O-CB 3.4Å; C98-K102 PolarHBondContact O-N 3.12Å; C98-L103 PolarHBondContact O-N 3.3Å; C98-C279 WeakPolarHBondContact CA-SG 3.37Å; C98-C279 HydrophobicContact CB-CB 3.77Å; C98-C279 WeakPolarHBondContact CB-SG 3.44Å; C98-C279 WeakPolarHBondContact SG-CB 3.4Å; C98-C279 CovalentContact SG-SG 2.03Å; C98-C279 PolarHBondContact SG-SG 3.14Å
99Y90.4Very high89.9Confident50 Ų5056.8 Ų56.820%0.19627%0.266CS..Hα-helixtrans-57.6-48.1169.8-177.2-90.4000110.3D50 M52 D95 A96 L103 K108D50-Y99 WeakPolarHBondContact OD2-CE2 3.38Å; D50-Y99 VanDerWaalsContact OD2-CZ 3.28Å; D50-Y99 PolarHBondContact OD2-OH 3.11Å; M52-Y99 HydrophobicContact CB-CD2 4.01Å; M52-Y99 VanDerWaalsContact SD-CA 3.58Å; M52-Y99 HydrophobicContact SD-CD2 4.25Å; D95-Y99 WeakPolarHBondContact O-CB 2.97Å; D95-Y99 PolarHBondContact O-N 3.44Å; A96-Y99 PolarHBondContact O-N 2.92Å; Y99-L103 HydrophobicContact CD2-CD2 3.56Å; Y99-L103 HydrophobicContact CE2-CD2 3.38Å; Y99-L103 HydrophobicContact CG-CD2 4.42Å; Y99-L103 VanDerWaalsContact O-CB 3.28Å; Y99-L103 WeakPolarHBondContact O-CB 3.5Å; Y99-K108 HydrophobicContact CE1-CD 4.03Å; Y99-K108 HydrophobicContact CE1-CG 4.37Å; Y99-K108 WeakPolarHBondContact O-CE 3.37Å; Y99-K108 PolarHBondContact O-NZ 3.07Å
100E89.8Confident90.1Very high111 Ų11150 Ų5052%0.51924%0.235SC..Hα-helixtrans-71.5-46.4-173.8-166.155.1-166.100113.6A96 V97 C98 K108A96-E100 WeakPolarHBondContact O-CB 3.22Å; A96-E100 PolarHBondContact O-N 2.89Å; V97-E100 PolarHBondContact O-N 3.38Å; C98-E100 VanDerWaalsContact C-N 3.33Å; E100-K108 VanDerWaalsContact CA-NZ 3.3Å; E100-K108 PolarHBondContact O-NZ 3.11Å; E100-K108 IonicContact OE2-NZ 2.84Å; E100-K108 PolarHBondContact OE2-NZ 2.79Å
101N88.6Confident90.3Very high109 Ų10947 Ų4758%0.58322%0.221SC*.Hα-helixtrans-91.2-22.8-170.5-66.8-36.7000115.1V97V97-N101 WeakPolarHBondContact CG1-ND2 3.36Å; V97-N101 WeakPolarHBondContact O-CB 3.27Å; V97-N101 PolarHBondContact O-N 2.98Å; V97-N101 PolarHBondContact O-ND2 3.33Å
102K87.9Confident90.4Very high83 Ų8350.1 Ų50.136%0.36123%0.233SC..Hα-helixtrans-119.4-26.2-170.7-62.3-67-176169.70114.5C98 H104 V277 C279 S280 V281C98-K102 WeakPolarHBondContact O-CB 3.4Å; C98-K102 PolarHBondContact O-N 3.12Å; K102-H104 PolarHBondContact O-N 3.3Å; K102-V277 HydrophobicContact CB-CG1 4.28Å; K102-C279 HydrophobicContact CG-CB 4.28Å; K102-S280 WeakPolarHBondContact CE-O 3.13Å; K102-S280 PolarHBondContact NZ-O 3.36Å; K102-S280 PolarHBondContact NZ-OG 3.32Å; K102-V281 HydrophobicContact CG-CG2 4.32Å
103L88Confident90.6Very high13 Ų1348.5 Ų48.57%0.06822%0.224CC..SBendtrans-70.4129.7175.3-173.266.5000110M52 C98 Y99 W105 A107 K108 V277M52-L103 HydrophobicContact SD-CB 4.31Å; C98-L103 PolarHBondContact O-N 3.3Å; Y99-L103 HydrophobicContact CD2-CD2 3.56Å; Y99-L103 HydrophobicContact CE2-CD2 3.38Å; Y99-L103 HydrophobicContact CG-CD2 4.42Å; Y99-L103 VanDerWaalsContact O-CB 3.28Å; Y99-L103 WeakPolarHBondContact O-CB 3.5Å; L103-W105 PolarHBondContact O-N 2.95Å; L103-A107 HydrophobicContact CD1-CB 4.48Å; L103-K108 HydrophobicContact CD2-CG 3.78Å; L103-K108 HydrophobicContact CG-CG 4.19Å; L103-K108 WeakPolarHBondContact O-CE 3.45Å; L103-V277 HydrophobicContact CD1-CG2 4.47Å
104H89.9Confident90.8Very high56 Ų5643.1 Ų43.126%0.25920%0.203SC..  trans-62.3132.5-177.8-170.1-86.7000111.4K102 F106 A107 K108 Y269 C272K102-H104 PolarHBondContact O-N 3.3Å; H104-F106 VanDerWaalsContact ND1-CB 3.28Å; H104-F106 WeakPolarHBondContact ND1-CB 3.37Å; H104-F106 PolarHBondContact ND1-N 3.4Å; H104-F106 VanDerWaalsContact ND1-N 3.16Å; H104-F106 PolarHBondContact O-N 2.94Å; H104-F106 VanDerWaalsContact O-N 3.12Å; H104-A107 PolarHBondContact O-N 2.95Å; H104-K108 PolarHBondContact O-N 2.99Å; H104-Y269 AromaticContact CE1-CD1 3.33Å; H104-Y269 WeakPolarHBondContact CE1-CD1 3.23Å; H104-Y269 AromaticContact CE1-CE1 3.74Å; H104-Y269 AromaticContact NE2-CD1 3.68Å; H104-Y269 AromaticContact NE2-CE1 3.79Å; H104-C272 HydrophobicContact CB-CB 4.41Å
105W91.7Very high90.9Very high108 Ų10845.3 Ų45.341%0.40922%0.215SC..Hα-helixtrans-55.5-34.4-17570.1-89.3000113.2L103 A107 K108 Y109 L113 Y269L103-W105 PolarHBondContact O-N 2.95Å; W105-A107 VanDerWaalsContact C-N 3.35Å; W105-A107 PolarHBondContact O-N 2.92Å; W105-K108 CarbonylContact O-C 3.59Å; W105-K108 WeakPolarHBondContact O-CB 3.45Å; W105-K108 PolarHBondContact O-N 2.8Å; W105-K108 VanDerWaalsContact O-N 3.16Å; W105-Y109 HydrophobicContact CB-CD2 4.24Å; W105-Y109 VanDerWaalsContact O-CD2 3.23Å; W105-Y109 WeakPolarHBondContact O-CD2 3.17Å; W105-Y109 PolarHBondContact O-N 3.35Å; W105-L113 HydrophobicContact CH2-CD1 4.43Å; W105-L113 HydrophobicContact CZ3-CD1 3.85Å; W105-Y269 HydrophobicContact CH2-CE2 4.44Å; W105-Y269 HydrophobicContact CZ2-CD2 4.12Å; W105-Y269 HydrophobicContact CZ2-CE1 4.34Å; W105-Y269 AromaticContact CZ2-CE2 3.75Å; W105-Y269 HydrophobicContact CZ2-CE2 3.75Å; W105-Y269 AromaticContact CZ2-CZ 3.87Å
106F92.1Very high91Very high1 Ų148.7 Ų48.70%0.00423%0.232CC..Hα-helixtrans-60.6-41.2177.7-176-108.3000112.5H104 K108 Y109 F110 L113 Y265 T266 Y269 V270 I273H104-F106 VanDerWaalsContact ND1-CB 3.28Å; H104-F106 WeakPolarHBondContact ND1-CB 3.37Å; H104-F106 PolarHBondContact ND1-N 3.4Å; H104-F106 VanDerWaalsContact ND1-N 3.16Å; H104-F106 PolarHBondContact O-N 2.94Å; H104-F106 VanDerWaalsContact O-N 3.12Å; F106-K108 VanDerWaalsContact C-N 3.27Å; F106-K108 PolarHBondContact O-N 2.96Å; F106-Y109 PolarHBondContact O-N 3.26Å; F106-F110 HydrophobicContact CE1-CD2 4.21Å; F106-F110 HydrophobicContact CE2-CD2 4.17Å; F106-F110 AromaticContact CZ-CD2 3.7Å; F106-F110 HydrophobicContact CZ-CD2 3.7Å; F106-F110 HydrophobicContact CZ-CE2 4.37Å; F106-F110 WeakPolarHBondContact O-CA 3.26Å; F106-F110 WeakPolarHBondContact O-CB 3.43Å; F106-F110 PolarHBondContact O-N 3.43Å; F106-L113 HydrophobicContact CD2-CD1 4.05Å; F106-L113 HydrophobicContact CE2-CD1 4.23Å; F106-Y265 HydrophobicContact CE2-CD2 4.48Å; F106-Y265 HydrophobicContact CE2-CE2 4.13Å; F106-T266 HydrophobicContact CE2-CG2 4.21Å; F106-T266 HydrophobicContact CZ-CG2 4.21Å; F106-Y269 HydrophobicContact CB-CG 4.36Å; F106-Y269 WeakPolarHBondContact CD1-O 3.49Å; F106-Y269 HydrophobicContact CD2-CG 4.47Å; F106-Y269 HydrophobicContact CG-CG 4.33Å; F106-V270 HydrophobicContact CE1-CG2 3.94Å; F106-V270 HydrophobicContact CZ-CG2 4.32Å; F106-I273 HydrophobicContact CD1-CD1 4.02Å; F106-I273 HydrophobicContact CD1-CG1 4.13Å; F106-I273 HydrophobicContact CE1-CD1 3.94Å; F106-I273 HydrophobicContact CE1-CG1 4.48Å
107A88.3Confident91.2Very high2 Ų246.9 Ų46.92%0.01721%0.214CC..Hα-helixtrans-66.5-33.4177.900000111.5L103 H104 W105 I273 F302L103-A107 HydrophobicContact CD1-CB 4.48Å; H104-A107 PolarHBondContact O-N 2.95Å; W105-A107 VanDerWaalsContact C-N 3.35Å; W105-A107 PolarHBondContact O-N 2.92Å; A107-I273 HydrophobicContact CB-CG1 4.24Å; A107-F302 WeakPolarHBondContact O-CD2 3.39Å; A107-F302 WeakPolarHBondContact O-CE2 3.48Å
108K89.9Confident91.3Very high10 Ų1046 Ų464%0.04321%0.208CC..Hα-helixtrans-72.3-42.5174.3-59.4-176.9-174.9178.20112.4Q46 Y99 E100 L103 H104 W105 F106Q46-K108 PolarHBondContact NE2-O 3.42Å; Q46-K108 PolarHBondContact OE1-O 2.89Å; Y99-K108 HydrophobicContact CE1-CD 4.03Å; Y99-K108 HydrophobicContact CE1-CG 4.37Å; Y99-K108 WeakPolarHBondContact O-CE 3.37Å; Y99-K108 PolarHBondContact O-NZ 3.07Å; E100-K108 VanDerWaalsContact CA-NZ 3.3Å; E100-K108 PolarHBondContact O-NZ 3.11Å; E100-K108 IonicContact OE2-NZ 2.84Å; E100-K108 PolarHBondContact OE2-NZ 2.79Å; L103-K108 HydrophobicContact CD2-CG 3.78Å; L103-K108 HydrophobicContact CG-CG 4.19Å; L103-K108 WeakPolarHBondContact O-CE 3.45Å; H104-K108 PolarHBondContact O-N 2.99Å; W105-K108 CarbonylContact O-C 3.59Å; W105-K108 WeakPolarHBondContact O-CB 3.45Å; W105-K108 PolarHBondContact O-N 2.8Å; W105-K108 VanDerWaalsContact O-N 3.16Å; F106-K108 VanDerWaalsContact C-N 3.27Å; F106-K108 PolarHBondContact O-N 2.96Å
109Y92.5Very high91.3Very high114 Ų11449 Ų4945%0.44722%0.224SC..Hα-helixtrans-105.94.1-169-61-69.3000114.2W105 F106 Y112 L113W105-Y109 HydrophobicContact CB-CD2 4.24Å; W105-Y109 VanDerWaalsContact O-CD2 3.23Å; W105-Y109 WeakPolarHBondContact O-CD2 3.17Å; W105-Y109 PolarHBondContact O-N 3.35Å; F106-Y109 PolarHBondContact O-N 3.26Å; Y109-Y112 HydrophobicContact CD1-CD2 4.33Å; Y109-Y112 PolarHBondContact O-N 3.05Å; Y109-L113 WeakPolarHBondContact O-CG 3.4Å; Y109-L113 PolarHBondContact O-N 3.01Å
110F93.4Very high91.3Very high3 Ų348.8 Ų48.81%0.01323%0.226CC..Hα-helixtrans-51.7-52.1-175.7166.2-102.1000114.1F106 Y112 L113 V114 L305 A306 Y309F106-F110 HydrophobicContact CE1-CD2 4.21Å; F106-F110 HydrophobicContact CE2-CD2 4.17Å; F106-F110 AromaticContact CZ-CD2 3.7Å; F106-F110 HydrophobicContact CZ-CD2 3.7Å; F106-F110 HydrophobicContact CZ-CE2 4.37Å; F106-F110 WeakPolarHBondContact O-CA 3.26Å; F106-F110 WeakPolarHBondContact O-CB 3.43Å; F106-F110 PolarHBondContact O-N 3.43Å; F110-Y112 VanDerWaalsContact C-N 3.33Å; F110-Y112 PolarHBondContact O-N 3.1Å; F110-L113 WeakPolarHBondContact O-CB 3.41Å; F110-L113 PolarHBondContact O-N 2.89Å; F110-V114 HydrophobicContact CD2-CG2 3.97Å; F110-V114 HydrophobicContact CE1-CG2 4.17Å; F110-V114 HydrophobicContact CE2-CG2 3.46Å; F110-V114 VanDerWaalsContact CE2-CG2 3.46Å; F110-V114 HydrophobicContact CZ-CG2 3.56Å; F110-V114 WeakPolarHBondContact O-CG2 3.4Å; F110-V114 PolarHBondContact O-N 3.3Å; F110-L305 HydrophobicContact CE1-CB 4.11Å; F110-A306 HydrophobicContact CD2-CB 4.31Å; F110-A306 HydrophobicContact CE1-CB 4.36Å; F110-A306 HydrophobicContact CE2-CB 3.7Å; F110-A306 VanDerWaalsContact CZ-CA 3.47Å; F110-A306 HydrophobicContact CZ-CB 3.74Å; F110-Y309 HydrophobicContact CE2-CD1 4.16Å; F110-Y309 HydrophobicContact CZ-CG 4.44Å
111P92.8Very high91.4Very high2 Ų243.5 Ų43.51%0.01320%0.201CC..Hα-helixtrans-65.2-35-177.8-20.533.1000113.5G42 V114 L115 F302G42-P111 VanDerWaalsContact C-CG 3.42Å; P111-V114 PolarHBondContact O-N 3.45Å; P111-L115 WeakPolarHBondContact O-CB 3.29Å; P111-L115 PolarHBondContact O-N 3.33Å; P111-F302 HydrophobicContact CG-CZ 4.35Å
112Y92.9Very high91.4Very high103 Ų10339 Ų3940%0.40418%0.177SC..Hα-helixtrans-69.1-37.9175.9-58-77.5000112.1Q46 V47 Y109 F110 L115 L116Q46-Y112 VanDerWaalsContact OE1-CE2 3.27Å; V47-Y112 VanDerWaalsContact CG2-OH 3.22Å; V47-Y112 WeakPolarHBondContact CG2-OH 3.35Å; Y109-Y112 HydrophobicContact CD1-CD2 4.33Å; Y109-Y112 PolarHBondContact O-N 3.05Å; F110-Y112 VanDerWaalsContact C-N 3.33Å; F110-Y112 PolarHBondContact O-N 3.1Å; Y112-L115 WeakPolarHBondContact O-CB 3.29Å; Y112-L115 PolarHBondContact O-N 3.49Å; Y112-L116 PolarHBondContact O-N 3.29Å
113L94Very high91.3Very high36 Ų3638 Ų3819%0.18818%0.184CC..Hα-helixtrans-61.6-48.2171.5-77.1174000111W105 F106 Y109 F110 L115 L116 H117W105-L113 HydrophobicContact CH2-CD1 4.43Å; W105-L113 HydrophobicContact CZ3-CD1 3.85Å; F106-L113 HydrophobicContact CD2-CD1 4.05Å; F106-L113 HydrophobicContact CE2-CD1 4.23Å; Y109-L113 WeakPolarHBondContact O-CG 3.4Å; Y109-L113 PolarHBondContact O-N 3.01Å; F110-L113 WeakPolarHBondContact O-CB 3.41Å; F110-L113 PolarHBondContact O-N 2.89Å; L113-L115 VanDerWaalsContact C-N 3.28Å; L113-L115 PolarHBondContact O-N 3.47Å; L113-L116 PolarHBondContact O-N 3.15Å; L113-H117 PolarHBondContact O-CE1 3.4Å; L113-H117 VanDerWaalsContact O-CG 3.29Å; L113-H117 PolarHBondContact O-N 3.47Å; L113-H117 PolarHBondContact O-ND1 2.97Å
114V93.9Very high91.4Very high1 Ų138.5 Ų38.51%0.00619%0.189CC..Hα-helixtrans-57.7-42.4176.5174.60000111A39 F110 P111 H117 T118 Y309A39-V114 HydrophobicContact CB-CB 4.11Å; A39-V114 HydrophobicContact CB-CG1 3.73Å; F110-V114 HydrophobicContact CD2-CG2 3.97Å; F110-V114 HydrophobicContact CE1-CG2 4.17Å; F110-V114 HydrophobicContact CE2-CG2 3.46Å; F110-V114 VanDerWaalsContact CE2-CG2 3.46Å; F110-V114 HydrophobicContact CZ-CG2 3.56Å; F110-V114 WeakPolarHBondContact O-CG2 3.4Å; F110-V114 PolarHBondContact O-N 3.3Å; P111-V114 PolarHBondContact O-N 3.45Å; V114-H117 PolarHBondContact O-N 3.13Å; V114-T118 WeakPolarHBondContact O-CB 3.1Å; V114-T118 PolarHBondContact O-N 2.84Å; V114-T118 PolarHBondContact O-OG1 3.21Å; V114-Y309 HydrophobicContact CB-CD2 4.49Å; V114-Y309 HydrophobicContact CB-CE2 4.2Å; V114-Y309 HydrophobicContact CG1-CD2 3.66Å; V114-Y309 HydrophobicContact CG1-CE2 3.46Å; V114-Y309 VanDerWaalsContact CG1-CE2 3.46Å; V114-Y309 HydrophobicContact CG1-CG 4.45Å; V114-Y309 HydrophobicContact CG2-CD1 3.98Å; V114-Y309 HydrophobicContact CG2-CD2 3.99Å; V114-Y309 HydrophobicContact CG2-CE1 3.94Å; V114-Y309 HydrophobicContact CG2-CE2 3.96Å; V114-Y309 HydrophobicContact CG2-CG 3.99Å
115L91.9Very high91.2Very high47 Ų4736.2 Ų36.225%0.24618%0.179CC..Hα-helixtrans-59.6-50175.7-17962.5000111.3L36 A39 P111 Y112 L113 H117 T118 L119L36-L115 HydrophobicContact CD1-CD1 3.44Å; L36-L115 VanDerWaalsContact CD1-CD1 3.44Å; A39-L115 HydrophobicContact CB-CB 3.85Å; A39-L115 HydrophobicContact CB-CD1 4.34Å; P111-L115 WeakPolarHBondContact O-CB 3.29Å; P111-L115 PolarHBondContact O-N 3.33Å; Y112-L115 WeakPolarHBondContact O-CB 3.29Å; Y112-L115 PolarHBondContact O-N 3.49Å; L113-L115 VanDerWaalsContact C-N 3.28Å; L113-L115 PolarHBondContact O-N 3.47Å; L115-H117 PolarHBondContact O-N 3.38Å; L115-T118 PolarHBondContact O-N 2.92Å; L115-L119 HydrophobicContact CD1-CD1 4.37Å; L115-L119 HydrophobicContact CD1-CG 4.39Å; L115-L119 HydrophobicContact CG-CD1 4.22Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 3.17Å
116L93Very high90.9Very high93 Ų9331.4 Ų31.449%0.48716%0.161SC..Hα-helixtrans-58.4-46.7178.6178.864000111.9Y112 L113 T118 L119 I120Y112-L116 PolarHBondContact O-N 3.29Å; L113-L116 PolarHBondContact O-N 3.15Å; L116-T118 VanDerWaalsContact C-N 3.32Å; L116-T118 PolarHBondContact O-N 3.34Å; L116-L119 PolarHBondContact O-N 3.11Å; L116-I120 HydrophobicContact CD1-CD1 4.19Å; L116-I120 HydrophobicContact CG-CD1 4.02Å; L116-I120 VanDerWaalsContact O-CG1 3.28Å; L116-I120 WeakPolarHBondContact O-CG1 3.19Å; L116-I120 PolarHBondContact O-N 3.24Å
117H94Very high90.7Very high20 Ų2036 Ų369%0.09318%0.182CC..Hα-helixtrans-61.9-42.3177.7-61.5129000112.3L113 V114 L115 I120 F121 I262 Y265 Y309L113-H117 PolarHBondContact O-CE1 3.4Å; L113-H117 VanDerWaalsContact O-CG 3.29Å; L113-H117 PolarHBondContact O-N 3.47Å; L113-H117 PolarHBondContact O-ND1 2.97Å; V114-H117 PolarHBondContact O-N 3.13Å; L115-H117 PolarHBondContact O-N 3.38Å; H117-I120 PolarHBondContact O-N 3.07Å; H117-F121 VanDerWaalsContact O-CD2 3.28Å; H117-F121 WeakPolarHBondContact O-CD2 3.33Å; H117-F121 PolarHBondContact O-N 2.95Å; H117-I262 HydrophobicContact CB-CD1 3.67Å; H117-I262 VanDerWaalsContact CG-CD1 3.49Å; H117-Y265 AromaticContact CE1-CZ 3.69Å; H117-Y265 PolarHBondContact CE1-OH 3.06Å; H117-Y265 PolarHBondContact ND1-OH 3.39Å; H117-Y265 PolarHBondContact NE2-OH 3.14Å; H117-Y309 WeakPolarHBondContact CB-OH 3.27Å; H117-Y309 PolarHBondContact ND1-OH 2.98Å
118T91.8Very high90.7Very high3 Ų336.1 Ų36.12%0.01818%0.181CC..Hα-helixtrans-64.8-41.7-179.7-53.40000111.3S32 M35 L36 V114 L115 L116 F121 L122S32-T118 WeakPolarHBondContact O-CG2 3.35Å; M35-T118 HydrophobicContact CB-CG2 4.03Å; M35-T118 WeakPolarHBondContact CB-OG1 3.42Å; L36-T118 HydrophobicContact CB-CG2 3.9Å; L36-T118 HydrophobicContact CD1-CG2 4.27Å; V114-T118 WeakPolarHBondContact O-CB 3.1Å; V114-T118 PolarHBondContact O-N 2.84Å; V114-T118 PolarHBondContact O-OG1 3.21Å; L115-T118 PolarHBondContact O-N 2.92Å; L116-T118 VanDerWaalsContact C-N 3.32Å; L116-T118 PolarHBondContact O-N 3.34Å; T118-F121 PolarHBondContact O-N 2.96Å; T118-L122 WeakPolarHBondContact O-CB 3.47Å; T118-L122 PolarHBondContact O-N 2.81Å
119L90.1Very high90.4Very high63 Ų6336 Ų3633%0.3318%0.181SC..Hα-helixtrans-63.6-40.2174.7-70.2175.1000112.2L7 L115 L116 L122 A123L7-L119 HydrophobicContact CD2-CD2 4.31Å; L115-L119 HydrophobicContact CD1-CD1 4.37Å; L115-L119 HydrophobicContact CD1-CG 4.39Å; L115-L119 HydrophobicContact CG-CD1 4.22Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 3.17Å; L116-L119 PolarHBondContact O-N 3.11Å; L119-L122 PolarHBondContact O-N 3.17Å; L119-A123 VanDerWaalsContact O-CB 3.26Å; L119-A123 WeakPolarHBondContact O-CB 3.38Å; L119-A123 PolarHBondContact O-N 3.24Å
120I90.9Very high90.1Very high46 Ų4636 Ų3624%0.23618%0.183CC..Hα-helixtrans-61.9-46.6175-68.9165.7000110.5L116 H117 L122 A123 C124 K258L116-I120 HydrophobicContact CD1-CD1 4.19Å; L116-I120 HydrophobicContact CG-CD1 4.02Å; L116-I120 VanDerWaalsContact O-CG1 3.28Å; L116-I120 WeakPolarHBondContact O-CG1 3.19Å; L116-I120 PolarHBondContact O-N 3.24Å; H117-I120 PolarHBondContact O-N 3.07Å; I120-L122 PolarHBondContact O-N 2.64Å; I120-A123 PolarHBondContact O-N 2.81Å; I120-C124 WeakPolarHBondContact O-CB 3.49Å; I120-C124 PolarHBondContact O-N 2.99Å; I120-C124 PolarHBondContact O-SG 3.03Å; I120-K258 HydrophobicContact CG2-CG 4.42Å
121F91.3Very high89.8Confident1 Ų139 Ų390%0.00420%0.197CC..Hα-helixtrans-62.1-43.5178.4-73.2-44.5000112.3M35 H117 T118 C124 S125 K255 K258 I262 Y316M35-F121 HydrophobicContact CE-CD2 3.79Å; M35-F121 HydrophobicContact CE-CE2 3.87Å; H117-F121 VanDerWaalsContact O-CD2 3.28Å; H117-F121 WeakPolarHBondContact O-CD2 3.33Å; H117-F121 PolarHBondContact O-N 2.95Å; T118-F121 PolarHBondContact O-N 2.96Å; F121-C124 PolarHBondContact O-N 3.35Å; F121-S125 PolarHBondContact O-N 3.06Å; F121-S125 PolarHBondContact O-OG 2.86Å; F121-S125 VanDerWaalsContact O-OG 3.11Å; F121-K255 HydrophobicContact CD1-CG 4.39Å; F121-K258 HydrophobicContact CE1-CB 3.81Å; F121-K258 HydrophobicContact CZ-CB 4.23Å; F121-I262 HydrophobicContact CE2-CD1 3.65Å; F121-I262 HydrophobicContact CZ-CD1 3.56Å; F121-Y316 AromaticContact CD1-CE1 3.67Å; F121-Y316 HydrophobicContact CD1-CE1 3.67Å; F121-Y316 AromaticContact CD1-CZ 3.89Å; F121-Y316 HydrophobicContact CD2-CE1 4.37Å; F121-Y316 HydrophobicContact CE1-CD1 4.38Å; F121-Y316 AromaticContact CE1-CE1 3.74Å; F121-Y316 HydrophobicContact CE1-CE1 3.74Å; F121-Y316 HydrophobicContact CE2-CE1 4.42Å; F121-Y316 HydrophobicContact CG-CE1 4.01Å; F121-Y316 AromaticContact CG-CZ 3.91Å; F121-Y316 HydrophobicContact CZ-CD1 4.33Å; F121-Y316 HydrophobicContact CZ-CE1 4.12Å
122L88.5Confident89.5Confident13 Ų1343.5 Ų43.57%0.06823%0.226CC..Hα-helixtrans-65.9-42.7178.8-169.761.8000112.2F10 A11 T118 L119 I120 S125 N126F10-L122 HydrophobicContact CB-CD2 3.39Å; F10-L122 HydrophobicContact CB-CG 4.2Å; A11-L122 HydrophobicContact CB-CD1 4.27Å; T118-L122 WeakPolarHBondContact O-CB 3.47Å; T118-L122 PolarHBondContact O-N 2.81Å; L119-L122 PolarHBondContact O-N 3.17Å; I120-L122 PolarHBondContact O-N 2.64Å; L122-S125 PolarHBondContact O-N 3.4Å; L122-N126 PolarHBondContact O-N 3.37Å; L122-N126 PolarHBondContact O-ND2 3.24Å
123A87.1Confident89.2Confident62 Ų6247.4 Ų47.451%0.51224%0.24SC..Hα-helixtrans-63.6-44.717600000111.7L119 I120 S125 N126 F127L119-A123 VanDerWaalsContact O-CB 3.26Å; L119-A123 WeakPolarHBondContact O-CB 3.38Å; L119-A123 PolarHBondContact O-N 3.24Å; I120-A123 PolarHBondContact O-N 2.81Å; A123-S125 VanDerWaalsContact C-N 3.35Å; A123-S125 PolarHBondContact O-N 2.96Å; A123-N126 PolarHBondContact O-N 3.05Å; A123-F127 PolarHBondContact O-N 2.87Å
124C89.5Confident89Confident25 Ų2545.7 Ų45.717%0.16923%0.231CC..Hα-helixtrans-63.6-37.1176.4-73.70000112.5I120 F121 Q251 K255I120-C124 WeakPolarHBondContact O-CB 3.49Å; I120-C124 PolarHBondContact O-N 2.99Å; I120-C124 PolarHBondContact O-SG 3.03Å; F121-C124 PolarHBondContact O-N 3.35Å; C124-Q251 PolarHBondContact O-OE1 2.99Å; C124-Q251 VanDerWaalsContact O-OE1 3.06Å; C124-K255 HydrophobicContact CB-CG 4.22Å
125S85.8Confident88.7Confident7 Ų746.3 Ų46.35%0.04924%0.235CC..Hα-helixtrans-66.3-37.5177-69.10000113.2F121 L122 A123 W128 K255F121-S125 PolarHBondContact O-N 3.06Å; F121-S125 PolarHBondContact O-OG 2.86Å; F121-S125 VanDerWaalsContact O-OG 3.11Å; L122-S125 PolarHBondContact O-N 3.4Å; A123-S125 VanDerWaalsContact C-N 3.35Å; A123-S125 PolarHBondContact O-N 2.96Å; S125-W128 PolarHBondContact O-NE1 2.89Å; S125-K255 WeakPolarHBondContact OG-CE 3.22Å; S125-K255 PolarHBondContact OG-NZ 2.92Å
126N85.4Confident88.6Confident7 Ų747.5 Ų47.54%0.03725%0.247CC..Hα-helixtrans-100-2.2-171.1-70.3-37.3000114.2F10 T13 L122 A123 W128 F129 K130F10-N126 PolarHBondContact O-ND2 2.99Å; T13-N126 WeakPolarHBondContact CG2-OD1 3.47Å; L122-N126 PolarHBondContact O-N 3.37Å; L122-N126 PolarHBondContact O-ND2 3.24Å; A123-N126 PolarHBondContact O-N 3.05Å; N126-W128 PolarHBondContact O-N 3.32Å; N126-F129 PolarHBondContact O-N 3.16Å; N126-K130 PolarHBondContact O-N 3.24Å
127F88.1Confident88.5Confident99 Ų9944.2 Ų44.243%0.43423%0.229SC..Hα-helixtrans-58.1-47.3-175.4-176.2-100.2000112.7A123 F129 K130 F131 L247A123-F127 PolarHBondContact O-N 2.87Å; F127-F129 VanDerWaalsContact C-N 3.27Å; F127-F129 PolarHBondContact O-N 3.43Å; F127-K130 PolarHBondContact O-N 3.28Å; F127-F131 HydrophobicContact CD1-CB 4.48Å; F127-F131 HydrophobicContact CE1-CB 4.12Å; F127-F131 HydrophobicContact CE1-CD2 4.22Å; F127-F131 HydrophobicContact CE1-CG 4.08Å; F127-F131 HydrophobicContact CE2-CD2 4.39Å; F127-F131 HydrophobicContact CZ-CB 4.25Å; F127-F131 AromaticContact CZ-CD2 3.73Å; F127-F131 HydrophobicContact CZ-CD2 3.73Å; F127-F131 HydrophobicContact CZ-CE2 4.27Å; F127-F131 HydrophobicContact CZ-CG 4.05Å; F127-F131 VanDerWaalsContact O-CB 3.32Å; F127-F131 WeakPolarHBondContact O-CB 3.32Å; F127-F131 PolarHBondContact O-N 3.46Å; F127-L247 HydrophobicContact CD1-CD2 4.24Å; F127-L247 HydrophobicContact CE1-CD1 4.49Å; F127-L247 HydrophobicContact CE1-CD2 3.84Å
128W87.5Confident88.3Confident3 Ų343.2 Ų43.21%0.01123%0.225CC..Hα-helixtrans-67.7-24-177.576.4-66.4000113.9L20 S125 N126 T134 L138 V244 Y248 Q251L20-W128 HydrophobicContact CB-CH2 4.37Å; S125-W128 PolarHBondContact O-NE1 2.89Å; N126-W128 PolarHBondContact O-N 3.32Å; W128-T134 WeakPolarHBondContact O-CB 3.36Å; W128-T134 PolarHBondContact O-OG1 3.2Å; W128-L138 HydrophobicContact CD2-CD1 4.3Å; W128-L138 HydrophobicContact CE3-CD1 3.51Å; W128-L138 HydrophobicContact CE3-CD2 4.2Å; W128-L138 HydrophobicContact CE3-CG 4.47Å; W128-L138 HydrophobicContact CH2-CD2 4.35Å; W128-L138 HydrophobicContact CZ3-CD1 3.63Å; W128-L138 HydrophobicContact CZ3-CD2 3.54Å; W128-L138 HydrophobicContact CZ3-CG 4.24Å; W128-V244 HydrophobicContact CE3-CG1 3.83Å; W128-V244 HydrophobicContact CZ3-CG1 3.85Å; W128-Y248 HydrophobicContact CD2-CD2 4.17Å; W128-Y248 AromaticContact CE2-CD2 3.96Å; W128-Y248 HydrophobicContact CE3-CD2 4.46Å; W128-Y248 HydrophobicContact CH2-CD2 4.41Å; W128-Y248 HydrophobicContact CZ2-CD2 4.09Å; W128-Y248 HydrophobicContact CZ2-CE2 4.05Å; W128-Q251 VanDerWaalsContact CD1-OE1 3.32Å
129F84.8Confident88.2Confident9 Ų947.6 Ų47.64%0.03925%0.245CC..Hα-helixtrans-77.8-29.7173.7-73.1-63.3000113.3T13 Y17 L20 K21 N126 F127 S135 L138T13-F129 HydrophobicContact CG2-CD2 4.45Å; Y17-F129 HydrophobicContact CD1-CD1 4.28Å; Y17-F129 HydrophobicContact CD1-CE1 4.26Å; Y17-F129 AromaticContact CD2-CD1 3.98Å; Y17-F129 HydrophobicContact CD2-CD1 3.98Å; Y17-F129 HydrophobicContact CD2-CE1 4.44Å; Y17-F129 HydrophobicContact CE2-CD1 4.45Å; Y17-F129 AromaticContact CG-CD1 3.89Å; Y17-F129 HydrophobicContact CG-CD1 3.89Å; Y17-F129 AromaticContact CG-CE1 3.92Å; Y17-F129 HydrophobicContact CG-CE1 3.92Å; L20-F129 HydrophobicContact CB-CE1 4.37Å; L20-F129 HydrophobicContact CB-CZ 4.49Å; L20-F129 HydrophobicContact CD1-CE1 4.47Å; K21-F129 HydrophobicContact CG-CE2 4.37Å; K21-F129 HydrophobicContact CG-CZ 4.13Å; N126-F129 PolarHBondContact O-N 3.16Å; F127-F129 VanDerWaalsContact C-N 3.27Å; F127-F129 PolarHBondContact O-N 3.43Å; F129-S135 PolarHBondContact O-OG 2.95Å; F129-L138 HydrophobicContact CD1-CD1 4.3Å
130K84.4Confident88.2Confident112 Ų11248.9 Ų48.949%0.48725%0.249SC..Hα-helixtrans-98.9-18-176-65-172.3178.2-175.20113.5N126 F127 P132N126-K130 PolarHBondContact O-N 3.24Å; F127-K130 PolarHBondContact O-N 3.28Å; K130-P132 WeakPolarHBondContact O-CD 3.46Å
131F88.3Confident88.2Confident67 Ų6746.7 Ų46.729%0.29424%0.238SC..SBendtrans-73.5122.2-177.4-174.8-112.7000111.3F127 R133 T134 S135 I243 L247F127-F131 HydrophobicContact CD1-CB 4.48Å; F127-F131 HydrophobicContact CE1-CB 4.12Å; F127-F131 HydrophobicContact CE1-CD2 4.22Å; F127-F131 HydrophobicContact CE1-CG 4.08Å; F127-F131 HydrophobicContact CE2-CD2 4.39Å; F127-F131 HydrophobicContact CZ-CB 4.25Å; F127-F131 AromaticContact CZ-CD2 3.73Å; F127-F131 HydrophobicContact CZ-CD2 3.73Å; F127-F131 HydrophobicContact CZ-CE2 4.27Å; F127-F131 HydrophobicContact CZ-CG 4.05Å; F127-F131 VanDerWaalsContact O-CB 3.32Å; F127-F131 WeakPolarHBondContact O-CB 3.32Å; F127-F131 PolarHBondContact O-N 3.46Å; F131-R133 VanDerWaalsContact C-N 3.32Å; F131-R133 HydrophobicContact CD1-CB 4.04Å; F131-R133 HydrophobicContact CE1-CB 3.66Å; F131-R133 HydrophobicContact CE1-CG 4.04Å; F131-R133 HydrophobicContact CZ-CB 4.49Å; F131-R133 HydrophobicContact CZ-CG 4.41Å; F131-R133 PolarHBondContact O-N 2.98Å; F131-R133 VanDerWaalsContact O-N 3.13Å; F131-T134 HydrophobicContact CD1-CG2 4.39Å; F131-T134 PolarHBondContact O-N 3.31Å; F131-T134 PolarHBondContact O-OG1 3.07Å; F131-S135 WeakPolarHBondContact O-CB 3.39Å; F131-S135 PolarHBondContact O-N 3.47Å; F131-I243 HydrophobicContact CE1-CD1 4.48Å; F131-L247 HydrophobicContact CD1-CD1 3.97Å; F131-L247 HydrophobicContact CE1-CD1 4.33Å
132P87.1Confident88.3Confident97 Ų9747 Ų4763%0.6324%0.239SC*.Hα-helixtrans-56.7-37.3-168.6-3035.5000115.5K130 T134 S136K130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-T134 VanDerWaalsContact C-N 3.29Å; P132-T134 PolarHBondContact O-N 2.99Å; P132-S136 WeakPolarHBondContact O-CB 3.4Å; P132-S136 PolarHBondContact O-N 3.42Å
133R85.9Confident88.4Confident185 Ų18548.9 Ų48.970%0.69825%0.254SS*.Hα-helixtrans-70-23.7-179.4-64.3-172.6171.6-175.4-2.3113.5F131 I243F131-R133 VanDerWaalsContact C-N 3.32Å; F131-R133 HydrophobicContact CD1-CB 4.04Å; F131-R133 HydrophobicContact CE1-CB 3.66Å; F131-R133 HydrophobicContact CE1-CG 4.04Å; F131-R133 HydrophobicContact CZ-CB 4.49Å; F131-R133 HydrophobicContact CZ-CG 4.41Å; F131-R133 PolarHBondContact O-N 2.98Å; F131-R133 VanDerWaalsContact O-N 3.13Å; R133-I243 HydrophobicContact CB-CD1 4.06Å
134T89.9Confident88.6Confident0 Ų046.2 Ų46.20%023%0.231CC..Hα-helixtrans-96.6-42.3174.345.20000111.8W128 F131 P132 S136 K137 L138 I243 V244 L247W128-T134 WeakPolarHBondContact O-CB 3.36Å; W128-T134 PolarHBondContact O-OG1 3.2Å; F131-T134 HydrophobicContact CD1-CG2 4.39Å; F131-T134 PolarHBondContact O-N 3.31Å; F131-T134 PolarHBondContact O-OG1 3.07Å; P132-T134 VanDerWaalsContact C-N 3.29Å; P132-T134 PolarHBondContact O-N 2.99Å; T134-S136 VanDerWaalsContact C-N 3.29Å; T134-S136 PolarHBondContact O-N 2.82Å; T134-K137 PolarHBondContact O-N 3.45Å; T134-K137 VanDerWaalsContact O-N 3.09Å; T134-L138 WeakPolarHBondContact O-CG 3.47Å; T134-L138 PolarHBondContact O-N 3.14Å; T134-I243 HydrophobicContact CG2-CG1 4.4Å; T134-I243 HydrophobicContact CG2-CG2 4.21Å; T134-V244 HydrophobicContact CG2-CG2 4.01Å; T134-L247 HydrophobicContact CG2-CD1 3.35Å
135S88.2Confident88.7Confident13 Ų1345.1 Ų45.19%0.09122%0.223CC..Hα-helixtrans-54.3-45.6179.2-160.70000111.3Y17 F129 F131 K137 L138 E139Y17-S135 PolarHBondContact OH-OG 3.49Å; F129-S135 PolarHBondContact O-OG 2.95Å; F131-S135 WeakPolarHBondContact O-CB 3.39Å; F131-S135 PolarHBondContact O-N 3.47Å; S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.03Å; S135-L138 PolarHBondContact O-N 3.31Å; S135-L138 VanDerWaalsContact O-N 3.09Å; S135-E139 WeakPolarHBondContact O-CB 3.33Å; S135-E139 VanDerWaalsContact O-CG 3.31Å; S135-E139 WeakPolarHBondContact O-CG 3.19Å; S135-E139 PolarHBondContact O-N 3.38Å; S135-E139 PolarHBondContact OG-OE1 2.94Å
136S89Confident88.9Confident72 Ų7247.3 Ų47.350%0.50323%0.234SC..Hα-helixtrans-58.2-40.7179.2178.20000113.2P132 T134 H140P132-S136 WeakPolarHBondContact O-CB 3.4Å; P132-S136 PolarHBondContact O-N 3.42Å; T134-S136 VanDerWaalsContact C-N 3.29Å; T134-S136 PolarHBondContact O-N 2.82Å; S136-H140 WeakPolarHBondContact O-CB 3.39Å; S136-H140 PolarHBondContact O-N 2.86Å
137K90.1Very high89.3Confident24 Ų2451.7 Ų51.710%0.10425%0.253CS..Hα-helixtrans-67.8-42.1175.8-70.9-169.4175.8-163.80111.6T134 S135 F141 I243 V244 D355T134-K137 PolarHBondContact O-N 3.45Å; T134-K137 VanDerWaalsContact O-N 3.09Å; S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.03Å; K137-F141 VanDerWaalsContact O-CB 3.27Å; K137-F141 WeakPolarHBondContact O-CB 3.39Å; K137-F141 PolarHBondContact O-N 3.04Å; K137-I243 HydrophobicContact CD-CG2 4.41Å; K137-V244 HydrophobicContact CB-CG2 4.42Å; K137-V244 HydrophobicContact CD-CG2 4.15Å; K137-D355 IonicContact NZ-OD2 3.57Å; K137-D355 PolarHBondContact NZ-OD2 3.12Å
138L90.3Very high89.4Confident0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-69.3-42.6-178.6-64.2167.5000112.2Y17 L20 W128 F129 T134 S135 F141 V142 V244 M359Y17-L138 HydrophobicContact CE1-CB 4.38Å; L20-L138 HydrophobicContact CD1-CB 4.37Å; L20-L138 HydrophobicContact CD1-CD2 3.89Å; W128-L138 HydrophobicContact CD2-CD1 4.3Å; W128-L138 HydrophobicContact CE3-CD1 3.51Å; W128-L138 HydrophobicContact CE3-CD2 4.2Å; W128-L138 HydrophobicContact CE3-CG 4.47Å; W128-L138 HydrophobicContact CH2-CD2 4.35Å; W128-L138 HydrophobicContact CZ3-CD1 3.63Å; W128-L138 HydrophobicContact CZ3-CD2 3.54Å; W128-L138 HydrophobicContact CZ3-CG 4.24Å; F129-L138 HydrophobicContact CD1-CD1 4.3Å; T134-L138 WeakPolarHBondContact O-CG 3.47Å; T134-L138 PolarHBondContact O-N 3.14Å; S135-L138 PolarHBondContact O-N 3.31Å; S135-L138 VanDerWaalsContact O-N 3.09Å; L138-F141 PolarHBondContact O-N 2.79Å; L138-V142 WeakPolarHBondContact O-CB 3.41Å; L138-V142 VanDerWaalsContact O-CG2 3.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.27Å; L138-V142 PolarHBondContact O-N 3.48Å; L138-V244 HydrophobicContact CD2-CG1 4.15Å; L138-M359 HydrophobicContact CD2-CG 4.17Å; L138-M359 HydrophobicContact CD2-SD 3.64Å
139E89.6Confident89.5Confident94 Ų9449.4 Ų49.444%0.43924%0.243SC..Hα-helixtrans-59.5-48.9176.2-75172-155.500111.2Y17 S135 F141 V142 S143Y17-E139 HydrophobicContact CE1-CG 4.29Å; Y17-E139 WeakPolarHBondContact OH-CG 3.33Å; Y17-E139 PolarHBondContact OH-OE1 3.23Å; S135-E139 WeakPolarHBondContact O-CB 3.33Å; S135-E139 VanDerWaalsContact O-CG 3.31Å; S135-E139 WeakPolarHBondContact O-CG 3.19Å; S135-E139 PolarHBondContact O-N 3.38Å; S135-E139 PolarHBondContact OG-OE1 2.94Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 3.29Å; E139-V142 PolarHBondContact O-N 3Å; E139-S143 VanDerWaalsContact O-CB 3.29Å; E139-S143 WeakPolarHBondContact O-CB 3.33Å; E139-S143 PolarHBondContact O-N 2.93Å
140H90.2Very high89.7Confident91 Ų9154.7 Ų54.742%0.42127%0.272SS..Hα-helixtrans-66.6-39-179.8-158.592.5000111.2S136 S143 I144 F234S136-H140 WeakPolarHBondContact O-CB 3.39Å; S136-H140 PolarHBondContact O-N 2.86Å; H140-S143 PolarHBondContact O-N 3Å; H140-I144 WeakPolarHBondContact CD2-CD1 3.16Å; H140-I144 WeakPolarHBondContact NE2-CD1 3.27Å; H140-I144 WeakPolarHBondContact O-CG1 3.35Å; H140-I144 PolarHBondContact O-N 2.85Å; H140-F234 HydrophobicContact CB-CD2 4.3Å; H140-F234 HydrophobicContact CB-CE2 3.72Å; H140-F234 HydrophobicContact CB-CZ 4.42Å; H140-F234 AromaticContact CD2-CD2 3.05Å; H140-F234 WeakPolarHBondContact CD2-CD2 3.46Å; H140-F234 AromaticContact CD2-CE2 3.38Å; H140-F234 WeakPolarHBondContact CD2-CE2 3.4Å; H140-F234 AromaticContact CD2-CG 3.73Å; H140-F234 AromaticContact CG-CD2 3.9Å; H140-F234 AromaticContact CG-CE2 3.84Å; H140-F234 AromaticContact NE2-CD2 3.83Å
141F92.3Very high89.9Confident0 Ų049.9 Ų49.90%025%0.252CS..Hα-helixtrans-60.7-52.9174.9-178.2-130.2000112.3L20 K137 L138 E139 S143 I144 L145 F234 F356 M359 L360 I363L20-F141 HydrophobicContact CD2-CD1 4.31Å; L20-F141 HydrophobicContact CD2-CE1 4.18Å; K137-F141 VanDerWaalsContact O-CB 3.27Å; K137-F141 WeakPolarHBondContact O-CB 3.39Å; K137-F141 PolarHBondContact O-N 3.04Å; L138-F141 PolarHBondContact O-N 2.79Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 3.29Å; F141-S143 VanDerWaalsContact C-N 3.3Å; F141-S143 PolarHBondContact O-N 3Å; F141-I144 PolarHBondContact O-N 3.26Å; F141-L145 WeakPolarHBondContact O-CB 3.22Å; F141-L145 PolarHBondContact O-N 3.21Å; F141-F234 HydrophobicContact CB-CE1 3.96Å; F141-F234 HydrophobicContact CB-CZ 3.65Å; F141-F234 AromaticContact CD2-CE1 3.71Å; F141-F234 HydrophobicContact CD2-CE1 3.71Å; F141-F234 HydrophobicContact CD2-CZ 4.29Å; F141-F234 HydrophobicContact CG-CE1 4.27Å; F141-F234 HydrophobicContact CG-CZ 4.41Å; F141-F356 HydrophobicContact CD2-CD2 4.46Å; F141-F356 HydrophobicContact CD2-CE2 4.03Å; F141-F356 HydrophobicContact CE2-CD2 4.31Å; F141-F356 AromaticContact CE2-CE2 3.82Å; F141-F356 HydrophobicContact CE2-CE2 3.82Å; F141-M359 HydrophobicContact CB-CE 4.2Å; F141-M359 HydrophobicContact CB-SD 4.16Å; F141-M359 HydrophobicContact CD1-CB 3.81Å; F141-M359 HydrophobicContact CD1-CE 4.26Å; F141-M359 HydrophobicContact CD1-CG 4.36Å; F141-M359 HydrophobicContact CD1-SD 3.87Å; F141-M359 HydrophobicContact CD2-CE 4.33Å; F141-M359 HydrophobicContact CE1-CB 3.39Å; F141-M359 HydrophobicContact CE1-CG 4.39Å; F141-M359 HydrophobicContact CE1-SD 4.44Å; F141-M359 HydrophobicContact CG-CE 4.02Å; F141-M359 HydrophobicContact CG-SD 4.1Å; F141-M359 HydrophobicContact CZ-CB 3.87Å; F141-L360 HydrophobicContact CE2-CD2 4.34Å; F141-L360 HydrophobicContact CE2-CG 4.4Å; F141-L360 HydrophobicContact CZ-CD2 3.95Å; F141-L360 HydrophobicContact CZ-CG 4.02Å; F141-I363 HydrophobicContact CD1-CD1 4.14Å; F141-I363 HydrophobicContact CE1-CD1 3.06Å; F141-I363 HydrophobicContact CE1-CG1 4.13Å; F141-I363 HydrophobicContact CE2-CD1 4.43Å; F141-I363 HydrophobicContact CZ-CD1 3.26Å
142V91.8Very high89.9Confident6 Ų649 Ų494%0.03625%0.253CS..Hα-helixtrans-62.8-39.3-179.8172.80000110.8Y17 L20 L138 E139 I144 L145 L146Y17-V142 HydrophobicContact CD1-CG2 4.37Å; L20-V142 HydrophobicContact CD1-CG2 3.56Å; L20-V142 HydrophobicContact CG-CG2 4.15Å; L138-V142 WeakPolarHBondContact O-CB 3.41Å; L138-V142 VanDerWaalsContact O-CG2 3.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.27Å; L138-V142 PolarHBondContact O-N 3.48Å; E139-V142 PolarHBondContact O-N 3Å; V142-I144 PolarHBondContact O-N 3.19Å; V142-L145 PolarHBondContact O-N 3.19Å; V142-L146 HydrophobicContact CG1-CD1 3.86Å; V142-L146 HydrophobicContact CG1-CG 4.3Å; V142-L146 WeakPolarHBondContact O-CB 3.41Å; V142-L146 VanDerWaalsContact O-CG 3.31Å; V142-L146 WeakPolarHBondContact O-CG 3.15Å; V142-L146 PolarHBondContact O-N 3.1Å
143S91.3Very high89.9Confident53 Ų5344.4 Ų44.437%0.37122%0.223SC..Hα-helixtrans-62.5-43176.9-171.30000112.6E139 H140 F141 K147E139-S143 VanDerWaalsContact O-CB 3.29Å; E139-S143 WeakPolarHBondContact O-CB 3.33Å; E139-S143 PolarHBondContact O-N 2.93Å; H140-S143 PolarHBondContact O-N 3Å; F141-S143 VanDerWaalsContact C-N 3.3Å; F141-S143 PolarHBondContact O-N 3Å; S143-K147 WeakPolarHBondContact O-CG 3.41Å; S143-K147 PolarHBondContact O-N 3.22Å
144I92.1Very high90Very high6 Ų635.6 Ų35.63%0.03119%0.19CC..Hα-helixtrans-67.6-46.9175.7-68.7177.5000110H140 F141 V142 L146 K147 C148 V231 F234 F374H140-I144 WeakPolarHBondContact CD2-CD1 3.16Å; H140-I144 WeakPolarHBondContact NE2-CD1 3.27Å; H140-I144 WeakPolarHBondContact O-CG1 3.35Å; H140-I144 PolarHBondContact O-N 2.85Å; F141-I144 PolarHBondContact O-N 3.26Å; V142-I144 PolarHBondContact O-N 3.19Å; I144-L146 VanDerWaalsContact C-N 3.34Å; I144-L146 PolarHBondContact O-N 3.13Å; I144-K147 PolarHBondContact O-N 2.95Å; I144-K147 VanDerWaalsContact O-N 3.13Å; I144-C148 PolarHBondContact O-N 3.23Å; I144-C148 PolarHBondContact O-SG 3.04Å; I144-C148 VanDerWaalsContact O-SG 3.34Å; I144-V231 HydrophobicContact CG2-CG2 3.63Å; I144-F234 HydrophobicContact CD1-CB 3.5Å; I144-F234 VanDerWaalsContact CD1-CB 3.5Å; I144-F234 HydrophobicContact CD1-CD1 3.86Å; I144-F234 HydrophobicContact CD1-CD2 4.17Å; I144-F234 HydrophobicContact CD1-CG 3.56Å; I144-F374 HydrophobicContact CG2-CE2 3.93Å
145L91.6Very high89.7Confident2 Ų238.6 Ų38.61%0.0121%0.208CC..Hα-helixtrans-56.6-47.3-177.4-172.179.7000111.9I19 F141 V142 K147 C148 F149 I363 Y370 F374I19-L145 HydrophobicContact CG2-CD2 4.13Å; F141-L145 WeakPolarHBondContact O-CB 3.22Å; F141-L145 PolarHBondContact O-N 3.21Å; V142-L145 PolarHBondContact O-N 3.19Å; L145-K147 PolarHBondContact O-N 3.14Å; L145-C148 PolarHBondContact O-N 2.97Å; L145-F149 WeakPolarHBondContact O-CB 3.46Å; L145-F149 PolarHBondContact O-N 3.38Å; L145-I363 HydrophobicContact CD1-CD1 4.11Å; L145-I363 HydrophobicContact CD2-CD1 3.42Å; L145-I363 VanDerWaalsContact CD2-CD1 3.42Å; L145-I363 HydrophobicContact CD2-CG1 4.29Å; L145-I363 HydrophobicContact CD2-CG2 4.39Å; L145-I363 HydrophobicContact CG-CD1 4.35Å; L145-Y370 HydrophobicContact CD1-CD1 4.32Å; L145-Y370 HydrophobicContact CD2-CD1 3.69Å; L145-Y370 HydrophobicContact CD2-CE1 4.24Å; L145-Y370 HydrophobicContact CD2-CG 4.17Å; L145-Y370 HydrophobicContact CG-CD1 3.79Å; L145-F374 HydrophobicContact CD1-CB 4.31Å; L145-F374 HydrophobicContact CD1-CD2 3.99Å; L145-F374 HydrophobicContact CD1-CG 4.34Å
146L90.2Very high89.5Confident53 Ų5339.4 Ų39.428%0.27721%0.209SC..Hα-helixtrans-61.6-43.8177.6-72171.9000111.4I19 V142 I144 C148 F149 D150I19-L146 HydrophobicContact CD1-CD2 3.72Å; I19-L146 HydrophobicContact CD1-CG 4.41Å; V142-L146 HydrophobicContact CG1-CD1 3.86Å; V142-L146 HydrophobicContact CG1-CG 4.3Å; V142-L146 WeakPolarHBondContact O-CB 3.41Å; V142-L146 VanDerWaalsContact O-CG 3.31Å; V142-L146 WeakPolarHBondContact O-CG 3.15Å; V142-L146 PolarHBondContact O-N 3.1Å; I144-L146 VanDerWaalsContact C-N 3.34Å; I144-L146 PolarHBondContact O-N 3.13Å; L146-C148 PolarHBondContact O-N 2.97Å; L146-F149 WeakPolarHBondContact O-CB 3.09Å; L146-F149 PolarHBondContact O-N 3.07Å; L146-D150 WeakPolarHBondContact O-CB 3.37Å; L146-D150 PolarHBondContact O-N 3.12Å
147K92.4Very high89.1Confident100 Ų10036 Ų3644%0.43519%0.185SC..Hα-helixtrans-66.3-36.6177.1-70.3176.7-178176.70113.1S143 I144 L145 F149 S151 L227S143-K147 WeakPolarHBondContact O-CG 3.41Å; S143-K147 PolarHBondContact O-N 3.22Å; I144-K147 PolarHBondContact O-N 2.95Å; I144-K147 VanDerWaalsContact O-N 3.13Å; L145-K147 PolarHBondContact O-N 3.14Å; K147-F149 VanDerWaalsContact C-N 3.32Å; K147-S151 WeakPolarHBondContact O-CB 3.26Å; K147-S151 PolarHBondContact O-N 2.69Å; K147-S151 VanDerWaalsContact O-N 3.16Å; K147-L227 HydrophobicContact CB-CD1 4.37Å; K147-L227 HydrophobicContact CB-CD2 3.65Å; K147-L227 HydrophobicContact CD-CD2 4.16Å
148C90.9Very high88.6Confident1 Ų136.9 Ų36.91%0.00719%0.191CC..Hα-helixtrans-64.9-40.7173.3-71.60000110.8I144 L145 L146 S151 T154 F374 F377I144-C148 PolarHBondContact O-N 3.23Å; I144-C148 PolarHBondContact O-SG 3.04Å; I144-C148 VanDerWaalsContact O-SG 3.34Å; L145-C148 PolarHBondContact O-N 2.97Å; L146-C148 PolarHBondContact O-N 2.97Å; C148-S151 PolarHBondContact O-N 3.37Å; C148-T154 WeakPolarHBondContact O-CG2 3.46Å; C148-F374 HydrophobicContact CB-CD2 4.17Å; C148-F377 HydrophobicContact CB-CD2 3.72Å; C148-F377 HydrophobicContact CB-CE2 3.67Å; C148-F377 VanDerWaalsContact SG-CD2 3.53Å
149F88.9Confident87.9Confident52 Ų5239.5 Ų39.523%0.22821%0.209CC..Hα-helixtrans-66.1-41.4177.9-172.3-91.1000112.5L145 L146 K147 S151 Y370 R373L145-F149 WeakPolarHBondContact O-CB 3.46Å; L145-F149 PolarHBondContact O-N 3.38Å; L146-F149 WeakPolarHBondContact O-CB 3.09Å; L146-F149 PolarHBondContact O-N 3.07Å; K147-F149 VanDerWaalsContact C-N 3.32Å; F149-S151 VanDerWaalsContact C-N 3.29Å; F149-S151 PolarHBondContact O-N 2.93Å; F149-Y370 HydrophobicContact CB-CD1 4.2Å; F149-Y370 HydrophobicContact CB-CE1 4.03Å; F149-Y370 HydrophobicContact CD1-CE1 4.47Å; F149-Y370 AromaticContact CD2-CD1 3.69Å; F149-Y370 HydrophobicContact CD2-CD1 3.69Å; F149-Y370 AromaticContact CD2-CE1 3.64Å; F149-Y370 HydrophobicContact CD2-CE1 3.64Å; F149-Y370 HydrophobicContact CD2-CG 4.36Å; F149-Y370 HydrophobicContact CE2-CD1 4.41Å; F149-Y370 HydrophobicContact CE2-CE1 4.23Å; F149-Y370 HydrophobicContact CG-CD1 4.14Å; F149-Y370 AromaticContact CG-CE1 3.79Å; F149-Y370 HydrophobicContact CG-CE1 3.79Å; F149-R373 PolarHBondContact O-NH1 2.99Å
150D89.2Confident86.8Confident121 Ų12137.6 Ų37.665%0.64720%0.201SC*.Hα-helixtrans-75.6-15.2-179.7-69.7-21.7000113.4L146 P152L146-D150 WeakPolarHBondContact O-CB 3.37Å; L146-D150 PolarHBondContact O-N 3.12Å; D150-P152 VanDerWaalsContact O-CD 3.28Å; D150-P152 WeakPolarHBondContact O-CD 3.02Å
151S89.2Confident85.4Confident10 Ų1033.8 Ų33.87%0.0718%0.184CC..  trans-71.3118.5-175.2177.80000112.2K147 C148 F149 W153 T154K147-S151 WeakPolarHBondContact O-CB 3.26Å; K147-S151 PolarHBondContact O-N 2.69Å; K147-S151 VanDerWaalsContact O-N 3.16Å; C148-S151 PolarHBondContact O-N 3.37Å; F149-S151 VanDerWaalsContact C-N 3.29Å; F149-S151 PolarHBondContact O-N 2.93Å; S151-W153 PolarHBondContact O-N 2.85Å; S151-W153 VanDerWaalsContact O-N 3.12Å; S151-T154 PolarHBondContact O-N 3.17Å; S151-T154 PolarHBondContact O-OG1 2.79Å
152P87.2Confident83.6Confident48 Ų4838.6 Ų38.631%0.31221%0.213SC..Hα-helixtrans-59.9-25178.2-24.635.8000113.9D150 T154 T155 R156 L216D150-P152 VanDerWaalsContact O-CD 3.28Å; D150-P152 WeakPolarHBondContact O-CD 3.02Å; P152-T154 VanDerWaalsContact C-N 3.26Å; P152-T154 PolarHBondContact O-N 3.05Å; P152-T155 PolarHBondContact O-N 2.78Å; P152-T155 PolarHBondContact O-OG1 2.72Å; P152-R156 PolarHBondContact O-N 2.93Å; P152-L216 HydrophobicContact CB-CD1 4.42Å
153W88.2Confident81.4Confident1 Ų143.3 Ų43.30%0.00424%0.241CC..Hα-helixtrans-53.9-40.6172.4175.7-111.1000112.8S151 T155 R156 A157 L216 A224 F228 F377 S382 K385 L386 L389S151-W153 PolarHBondContact O-N 2.85Å; S151-W153 VanDerWaalsContact O-N 3.12Å; W153-T155 PolarHBondContact O-N 2.95Å; W153-R156 PolarHBondContact O-N 3.12Å; W153-A157 HydrophobicContact CZ2-CB 4.44Å; W153-A157 WeakPolarHBondContact O-CB 3.18Å; W153-A157 PolarHBondContact O-N 3.23Å; W153-L216 HydrophobicContact CE3-CD2 3.9Å; W153-A224 HydrophobicContact CB-CB 3.86Å; W153-A224 HydrophobicContact CG-CB 4.04Å; W153-F228 AromaticContact NE1-CE2 3.74Å; W153-F228 AromaticContact NE1-CZ 3.84Å; W153-F377 AromaticContact CD1-CE1 3.98Å; W153-S382 WeakPolarHBondContact CZ2-O 3.28Å; W153-S382 PolarHBondContact NE1-OG 3.41Å; W153-K385 HydrophobicContact CH2-CB 4.21Å; W153-K385 HydrophobicContact CZ2-CB 4.39Å; W153-L386 HydrophobicContact CD2-CD1 3.88Å; W153-L386 HydrophobicContact CE3-CD1 3.76Å; W153-L386 HydrophobicContact CH2-CB 3.9Å; W153-L386 HydrophobicContact CH2-CD1 4.23Å; W153-L386 HydrophobicContact CZ2-CB 3.61Å; W153-L386 HydrophobicContact CZ2-CD1 4.36Å; W153-L386 HydrophobicContact CZ3-CB 4.47Å; W153-L386 HydrophobicContact CZ3-CD1 3.94Å; W153-L389 HydrophobicContact CH2-CD1 3.74Å; W153-L389 HydrophobicContact CZ3-CD1 3.46Å; W153-L389 VanDerWaalsContact CZ3-CD1 3.46Å
154T87.3Confident79.2Confident0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-66.7-40.9-177.157.40000112.2C148 S151 P152 R156 A157 L158 R373 F377C148-T154 WeakPolarHBondContact O-CG2 3.46Å; S151-T154 PolarHBondContact O-N 3.17Å; S151-T154 PolarHBondContact O-OG1 2.79Å; P152-T154 VanDerWaalsContact C-N 3.26Å; P152-T154 PolarHBondContact O-N 3.05Å; T154-R156 VanDerWaalsContact C-N 3.31Å; T154-R156 PolarHBondContact O-N 2.8Å; T154-A157 PolarHBondContact O-N 2.89Å; T154-L158 WeakPolarHBondContact O-CB 3.37Å; T154-L158 VanDerWaalsContact O-CG 3.25Å; T154-L158 WeakPolarHBondContact O-CG 3.38Å; T154-L158 PolarHBondContact O-N 3.4Å; T154-R373 HydrophobicContact CG2-CB 4.41Å; T154-F377 HydrophobicContact CG2-CD2 3.72Å; T154-F377 HydrophobicContact CG2-CE2 3.03Å; T154-F377 HydrophobicContact CG2-CZ 3.69Å
155T84.9Confident76.5Confident63 Ų6354.7 Ų54.739%0.38729%0.289SS..Hα-helixtrans-64.2-39177.438.40000111.4P152 W153 S159P152-T155 PolarHBondContact O-N 2.78Å; P152-T155 PolarHBondContact O-OG1 2.72Å; W153-T155 PolarHBondContact O-N 2.95Å; T155-S159 WeakPolarHBondContact O-CB 3.47Å; T155-S159 PolarHBondContact O-N 3.17Å; T155-S159 PolarHBondContact O-OG 2.85Å
156R83.1Confident73.6Confident30 Ų3058.9 Ų58.911%0.11332%0.318CS..Hα-helixtrans-66.5-51.6175.5-178.9177.5176.8135.33.3111.8P152 W153 T154 L158 S159 E160 T213 G214P152-R156 PolarHBondContact O-N 2.93Å; W153-R156 PolarHBondContact O-N 3.12Å; T154-R156 VanDerWaalsContact C-N 3.31Å; T154-R156 PolarHBondContact O-N 2.8Å; R156-L158 PolarHBondContact O-N 3.32Å; R156-S159 WeakPolarHBondContact CA-OG 3.36Å; R156-S159 PolarHBondContact O-N 2.89Å; R156-S159 PolarHBondContact O-OG 3.06Å; R156-E160 WeakPolarHBondContact CG-OE1 3.35Å; R156-E160 IonicContact CZ-OE1 2.7Å; R156-E160 IonicContact NE-OE1 2.95Å; R156-E160 PolarHBondContact NE-OE1 2.92Å; R156-E160 IonicContact NH2-OE1 2.67Å; R156-E160 WeakPolarHBondContact O-CG 3.48Å; R156-E160 PolarHBondContact O-N 2.94Å; R156-T213 PolarHBondContact NH1-O 3.47Å; R156-T213 VanDerWaalsContact NH1-O 3.14Å; R156-G214 PolarHBondContact NH1-O 3.24Å
157A81.4Confident70.7Confident0 Ų063.5 Ų63.50%034%0.343CS..Hα-helixtrans-59.6-33.5-179.100000112.5W153 T154 Y346 V376W153-A157 HydrophobicContact CZ2-CB 4.44Å; W153-A157 WeakPolarHBondContact O-CB 3.18Å; W153-A157 PolarHBondContact O-N 3.23Å; T154-A157 PolarHBondContact O-N 2.89Å; A157-Y346 PolarHBondContact O-OH 2.96Å; A157-V376 HydrophobicContact CB-CG1 3.58Å
158L78.7Confident67.8Low43 Ų4364.4 Ų64.423%0.22536%0.359CS..Hα-helixtrans-79-33.1173.8-69.7170.3000112.9T154 R156 T161 V162 R373 V376T154-L158 WeakPolarHBondContact O-CB 3.37Å; T154-L158 VanDerWaalsContact O-CG 3.25Å; T154-L158 WeakPolarHBondContact O-CG 3.38Å; T154-L158 PolarHBondContact O-N 3.4Å; R156-L158 PolarHBondContact O-N 3.32Å; L158-T161 PolarHBondContact O-N 3.09Å; L158-T161 PolarHBondContact O-OG1 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.23Å; L158-V162 PolarHBondContact O-N 3.45Å; L158-R373 HydrophobicContact CD1-CG 3.9Å; L158-V376 HydrophobicContact CD1-CG2 4.46Å; L158-V376 HydrophobicContact CD2-CG2 3.78Å; L158-V376 HydrophobicContact CG-CG2 3.88Å
159S76.1Confident64.8Low55 Ų5573.8 Ų73.839%0.38540%0.4SS..Hα-helixtrans-67.2-37.917563.30000112.2T155 R156 T161 V162 V163T155-S159 WeakPolarHBondContact O-CB 3.47Å; T155-S159 PolarHBondContact O-N 3.17Å; T155-S159 PolarHBondContact O-OG 2.85Å; R156-S159 WeakPolarHBondContact CA-OG 3.36Å; R156-S159 PolarHBondContact O-N 2.89Å; R156-S159 PolarHBondContact O-OG 3.06Å; S159-T161 PolarHBondContact O-N 3.14Å; S159-V162 PolarHBondContact O-N 2.85Å; S159-V163 WeakPolarHBondContact O-CG2 3.34Å; S159-V163 PolarHBondContact O-N 3.21Å
160E66.1Low62Low54 Ų5477.4 Ų77.425%0.25243%0.429SS..Hα-helixtrans-65.1-28.3179.3-72.9175.5-169.600111.8R156R156-E160 WeakPolarHBondContact CG-OE1 3.35Å; R156-E160 IonicContact CZ-OE1 2.7Å; R156-E160 IonicContact NE-OE1 2.95Å; R156-E160 PolarHBondContact NE-OE1 2.92Å; R156-E160 IonicContact NH2-OE1 2.67Å; R156-E160 WeakPolarHBondContact O-CG 3.48Å; R156-E160 PolarHBondContact O-N 2.94Å
161T61.3Low59.2Low12 Ų1278.9 Ų78.97%0.07444%0.442CS..Hα-helixtrans-81-22.2176.253.60000114.2L158 S159 S345 Y346L158-T161 PolarHBondContact O-N 3.09Å; L158-T161 PolarHBondContact O-OG1 3.31Å; S159-T161 PolarHBondContact O-N 3.14Å; T161-S345 VanDerWaalsContact CG2-OG 3.27Å; T161-S345 WeakPolarHBondContact CG2-OG 3.4Å; T161-Y346 HydrophobicContact CG2-CD2 3.88Å; T161-Y346 HydrophobicContact CG2-CE2 3.33Å
162V53Low56.3Low101 Ų10181.6 Ų81.661%0.61247%0.471SS*.Hα-helixtrans-86.6-26.1-178174.40000111.9L158 S159 E164 E165L158-V162 WeakPolarHBondContact O-CG2 3.23Å; L158-V162 PolarHBondContact O-N 3.45Å; S159-V162 PolarHBondContact O-N 2.85Å; V162-E164 VanDerWaalsContact C-N 3.26Å; V162-E164 PolarHBondContact O-N 2.8Å; V162-E165 PolarHBondContact O-N 2.86Å
163V46.5Very low53.4Low104 Ų10489.2 Ų89.263%0.6350%0.499SS*.G310 helixtrans-69.6-21.2-179.41740000112.6S159 E165 S166S159-V163 WeakPolarHBondContact O-CG2 3.34Å; S159-V163 PolarHBondContact O-N 3.21Å; V163-E165 VanDerWaalsContact C-N 3.28Å; V163-E165 PolarHBondContact O-N 3.06Å; V163-S166 PolarHBondContact O-OG 2.87Å
164E44.5Very low50.4Low132 Ų13295.3 Ų95.362%0.61754%0.537SS*.G310 helixtrans-71.8-14.6177-73.8-179.9169.300114.1V162V162-E164 VanDerWaalsContact C-N 3.26Å; V162-E164 PolarHBondContact O-N 2.8Å
165E35.9Very low47.5Very low167 Ų167103.1 Ų103.178%0.7858%0.579SS**G310 helixtrans-95.8-11-178.7-80.6-160.8143.500115.3V162 V163 D167V162-E165 PolarHBondContact O-N 2.86Å; V163-E165 VanDerWaalsContact C-N 3.28Å; V163-E165 PolarHBondContact O-N 3.06Å; E165-D167 PolarHBondContact O-N 3.03Å; E165-D167 VanDerWaalsContact O-N 3.13Å
166S31.3Very low44.7Very low90 Ų90103.7 Ų103.763%0.62960%0.598SS**  trans-91.267.1-175.359.70000113.2V163V163-S166 PolarHBondContact O-OG 2.87Å
167D27.6Very low41.9Very low150 Ų150107.8 Ų107.880%0.80263%0.631SS**  trans-118.1109.8164.1-125.6-7000109.3E165 K169E165-D167 PolarHBondContact O-N 3.03Å; E165-D167 VanDerWaalsContact O-N 3.13Å; D167-K169 PolarHBondContact O-N 2.93Å
168P32.8Very low39.2Very low119 Ų119115.3 Ų115.377%0.77367%0.668SS**  trans-74.4115.9-174.227.7-30.5000110.9
169K27.8Very low36.7Very low197 Ų197120.1 Ų120.186%0.85769%0.694SS**PPolyproline II helixtrans-58.7130.4168.8-75177.8-179167.70110.6D167 V171D167-K169 PolarHBondContact O-N 2.93Å; K169-V171 PolarHBondContact O-N 2.84Å
170P30.4Very low34.4Very low129 Ų129125.9 Ų125.984%0.83871%0.712SS**PPolyproline II helixtrans-75.4129.3170.928.8-30.4000110.7
171V29.2Very low32.4Very low152 Ų152132.9 Ų132.992%0.92174%0.741SS**PPolyproline II helixtrans-71.3129.3168.3172.80000109.2K169K169-V171 PolarHBondContact O-N 2.84Å
172G28.4Very low30.5Very low67 Ų67136.6 Ų136.669%0.69177%0.773SS**  trans-172.383.9176.600000116.2
173K26.7Very low29.2Very low207 Ų207137.5 Ų137.590%0.979%0.785SS**  trans61.6117142.7-65.9177178.2174.40120.6
174T25.3Very low28.2Very low129 Ų129138.1 Ų138.179%0.79179%0.793SS**  trans-50.8133.6150.342.20000113.2
175N26.9Very low27.3Very low164 Ų164137.8 Ų137.888%0.87780%0.8SS**  -177.3130.4128.9-92.1-9.1000112.1
176G25.2Very low26.8Very low76 Ų76135.5 Ų135.578%0.78480%0.803SS**  trans9598.9131.900000121.1
177S24.5Very low26.3Very low116 Ų116139.2 Ų139.281%0.81181%0.81SS**  67.3124.9128.9-164.10000123.1
178M26.1Very low26.1Very low157 Ų157140.1 Ų140.177%0.77382%0.815SS**  trans-6.6135.4145.2-64.1167.359.200118.4
179D25.6Very low25.8Very low145 Ų145141.1 Ų141.178%0.77582%0.819SS**  -173.7161.8103.4-113.9-36.9000116.1
180K26.5Very low25.7Very low176 Ų176141.2 Ų141.277%0.76582%0.822SS**  trans-74.7153.3-173.3-60.6157.2166.2166.10115.1
181K25Very low25.5Very low200 Ų200139.5 Ų139.587%0.8782%0.818SS**  151.6124.8112.1-98.8177173.4175.90115.4
182A22.2Very low25.2Very low90 Ų90138 Ų13874%0.74482%0.815SS**  trans21151.2138.100000126.2
183S25.9Very low25.1Very low121 Ų121141.8 Ų141.885%0.84682%0.818SS**  trans83.2143.4153.976.60000117
184S25.2Very low25Very low116 Ų116138 Ų13881%0.81181%0.814SS**  cis-157.1164.22053.70000112.5
185V24Very low25Very low125 Ų125140.1 Ų140.176%0.75882%0.817SS**  trans-61.3146.1179.8172.80000115E187V185-E187 HydrophobicContact CG1-CG 4.43Å
186S25.6Very low25Very low120 Ų120140.1 Ų140.184%0.83982%0.817SS**  trans-151.6118.8134.159.30000109.8
187E22.4Very low25Very low167 Ų167145 Ų14578%0.7882%0.819SS**  trans-72.2137.6170.9-67.5172141.100110.1V185V185-E187 HydrophobicContact CG1-CG 4.43Å
188D23.6Very low25Very low170 Ų170150.3 Ų150.391%0.90982%0.821SS**  trans-145.1125145.5-90.8-36000108
189V26.4Very low24.8Very low140 Ų140148.4 Ų148.485%0.84882%0.819SS**  trans-88.7117.5-171.9171.60000108.7
190E23.9Very low24.7Very low198 Ų198151 Ų15193%0.92582%0.823SS**  trans-136.3133.7162.1-136173.8-166.300111
191A26.6Very low24.6Very low93 Ų93147.7 Ų147.777%0.76982%0.822SS**  trans-76.9146.5-156.600000114.8
192S23.5Very low24.5Very low122 Ų122149.2 Ų149.285%0.85382%0.823SS**  trans-49.8120.8-178-22.60000116
193I26.8Very low24.7Very low145 Ų145151.5 Ų151.574%0.74482%0.821SS**  trans-111.3138.3149.6-62.4174.2000105.5M195I193-M195 PolarHBondContact O-N 3.21Å
194P24.3Very low24.8Very low128 Ų128154.4 Ų154.483%0.83182%0.821SS**  trans-69.497.8-174.225-27.3000109.9
195M25.8Very low24.9Very low173 Ų173157.8 Ų157.885%0.85282%0.824SS**  trans-67.7129.1171.9-73.3-157.792.900109.5I193 Q197I193-M195 PolarHBondContact O-N 3.21Å; M195-Q197 PolarHBondContact O-N 3.25Å
196L26.9Very low25.1Very low164 Ų164155 Ų15586%0.85982%0.82SS**  trans-38.3129.4153.9-107.883.8000109.2R198L196-R198 PolarHBondContact O-N 3.11Å
197Q25Very low25.5Very low178 Ų178155.8 Ų155.883%0.83281%0.814SS**  trans-46.4116.1170.1-80170.7-33.200109.5M195 T199M195-Q197 PolarHBondContact O-N 3.25Å; Q197-T199 PolarHBondContact O-N 3.08Å
198R23.5Very low26.1Very low229 Ų229154 Ų15486%0.86481%0.814SS**  trans-71.376.7172.6-162.4179.2-170.3179.93.7107.9L196 K200L196-R198 PolarHBondContact O-N 3.11Å; R198-K200 PolarHBondContact O-N 2.78Å; R198-K200 VanDerWaalsContact O-N 3.13Å
199T22.4Very low26.2Very low117 Ų117153.6 Ų153.672%0.71881%0.811SS**  trans-65.6107.816033.60000106.6Q197 S201Q197-T199 PolarHBondContact O-N 3.08Å; T199-S201 PolarHBondContact O-N 2.89Å
200K23.8Very low26.5Very low198 Ų198157.3 Ų157.386%0.86181%0.81SS**  trans-62.481.5160.6-83.8176169.3177.30107.2R198 R202R198-K200 PolarHBondContact O-N 2.78Å; R198-K200 VanDerWaalsContact O-N 3.13Å; K200-R202 PolarHBondContact O-N 2.63Å
201S23.6Very low27Very low108 Ų108152.1 Ų152.176%0.75580%0.796SS**  trans-73120.5156.548.70000106.6T199 I203T199-S201 PolarHBondContact O-N 2.89Å; S201-I203 PolarHBondContact O-N 3.13Å
202R23.3Very low27.3Very low232 Ų232155.6 Ų155.688%0.87580%0.796SS**  trans-71.4111.4-177.2-170.6-179.4-173-173.2-0.2107.1K200 E204K200-R202 PolarHBondContact O-N 2.63Å; R202-E204 PolarHBondContact O-N 2.93Å
203I27.2Very low28.1Very low137 Ų137154.2 Ų154.270%0.70378%0.783SS**  trans26.793.7155.1-53.7168.3000114.4S201 Q205S201-I203 PolarHBondContact O-N 3.13Å; I203-Q205 HydrophobicContact CG2-CB 4.05Å; I203-Q205 HydrophobicContact CG2-CG 4.19Å; I203-Q205 PolarHBondContact O-N 2.86Å
204E27.1Very low29Very low183 Ų183150.3 Ų150.386%0.85578%0.779SS**  trans-92.580.1154.5-81174.1-179.200107.7R202R202-E204 PolarHBondContact O-N 2.93Å
205Q28.3Very low30.5Very low187 Ų187149.5 Ų149.587%0.87477%0.771SS**  trans-9885.4152.6-83.4179.5-36.200105.3I203I203-Q205 HydrophobicContact CG2-CB 4.05Å; I203-Q205 HydrophobicContact CG2-CG 4.19Å; I203-Q205 PolarHBondContact O-N 2.86Å
206G26.7Very low32.4Very low65 Ų65141.8 Ų141.867%0.6773%0.733SS**  trans-169.325-173.600000114.7
207I34.3Very low34.6Very low138 Ų138139 Ų13971%0.70872%0.719SS**SBendtrans-142.658.9168.2-47.9176.2000108.9
208V34.9Very low37.2Very low130 Ų130135.5 Ų135.579%0.78870%0.701SS**  trans-148.654.4156.3-163.20000108.1
209D25.7Very low40.1Very low160 Ų160131.9 Ų131.986%0.85669%0.692SS**SBendtrans-112126.1155.1-97.7-29.1000107.2S211D209-S211 PolarHBondContact O-N 3.32Å; D209-S211 VanDerWaalsContact O-N 3.09Å
210R33.6Very low43Very low218 Ų218129.3 Ų129.382%0.82367%0.672SS**  trans-44.1118.2178.9-79.4174153.2175-5.9109.5E212R210-E212 HydrophobicContact CB-CG 4.34Å; R210-E212 PolarHBondContact O-N 3.15Å
211S33.8Very low46Very low90 Ų90119.9 Ų119.963%0.62963%0.631SS**  trans-68.882168.558.60000109.3D209 T213D209-S211 PolarHBondContact O-N 3.32Å; D209-S211 VanDerWaalsContact O-N 3.09Å; S211-T213 PolarHBondContact O-N 3.28Å
212E33.7Very low49Very low166 Ų166118.3 Ų118.378%0.77661%0.611SS**  trans-82.231.8168.5-75-170.3170.700112.3R210R210-E212 HydrophobicContact CB-CG 4.34Å; R210-E212 PolarHBondContact O-N 3.15Å
213T39Very low52.2Low92 Ų92112.1 Ų112.156%0.56459%0.592SS**SBendtrans-108103.4169.650.50000109.6R156 S211R156-T213 PolarHBondContact NH1-O 3.47Å; R156-T213 VanDerWaalsContact NH1-O 3.14Å; S211-T213 PolarHBondContact O-N 3.28Å
214G46.5Very low55.2Low64 Ų64105.6 Ų105.666%0.6656%0.559SS**  trans23.2103.4169.400000116.5R156 L216R156-G214 PolarHBondContact NH1-O 3.24Å; G214-L216 PolarHBondContact O-N 2.74Å
215V56.5Low58.2Low110 Ų110100.7 Ų100.767%0.66754%0.535SS*.  trans-47.3115.9167.1177.60000107.9D217V215-D217 PolarHBondContact O-N 2.9Å; V215-D217 VanDerWaalsContact O-N 3.1Å
216L65.8Low61.2Low11 Ų1193.7 Ų93.76%0.05851%0.509CS..  trans-58.4119.2173.8-169.483.1000106.5P152 W153 G214 K218 E220 G221 L386 N393P152-L216 HydrophobicContact CB-CD1 4.42Å; W153-L216 HydrophobicContact CE3-CD2 3.9Å; G214-L216 PolarHBondContact O-N 2.74Å; L216-K218 PolarHBondContact O-N 2.84Å; L216-E220 HydrophobicContact CD1-CB 3.9Å; L216-E220 VanDerWaalsContact CD1-OE2 3.26Å; L216-E220 WeakPolarHBondContact CD1-OE2 3.3Å; L216-E220 HydrophobicContact CD2-CB 4.37Å; L216-E220 HydrophobicContact CG-CB 3.81Å; L216-G221 VanDerWaalsContact CD2-CA 3.49Å; L216-L386 HydrophobicContact CD2-CD1 3.93Å; L216-N393 PolarHBondContact O-ND2 3.41Å; L216-N393 VanDerWaalsContact O-ND2 3.1Å
217D71.7Confident64.3Low106 Ų10691.2 Ų91.257%0.56748%0.48SS*.  trans-56.8142.5-178.1-96.6-12.4000109.2V215 K219 E220 G221V215-D217 PolarHBondContact O-N 2.9Å; V215-D217 VanDerWaalsContact O-N 3.1Å; D217-K219 PolarHBondContact O-N 3.43Å; D217-E220 HydrophobicContact CB-CG 4.2Å; D217-E220 WeakPolarHBondContact O-CA 3.43Å; D217-E220 WeakPolarHBondContact O-CB 3.43Å; D217-E220 PolarHBondContact O-N 3.26Å; D217-G221 PolarHBondContact O-N 3.33Å; D217-G221 VanDerWaalsContact O-N 3.08Å
218K79.9Confident67.1Low105 Ų10584.7 Ų84.746%0.45745%0.447SS..Hα-helixtrans-48.7-35.1-179.9-177173.5-177.9165.60112.3L216 E222 E394L216-K218 PolarHBondContact O-N 2.84Å; K218-E222 PolarHBondContact O-N 3.37Å; K218-E394 WeakPolarHBondContact CE-OE1 3.31Å; K218-E394 IonicContact NZ-OE1 2.73Å; K218-E394 PolarHBondContact NZ-OE1 3.35Å
219K83.9Confident69.8Low153 Ų15384.4 Ų84.467%0.66544%0.437SS*.Hα-helixtrans-65.1-42.2177.1-173.3-179.5177.3-173.80112.7D217 Q223D217-K219 PolarHBondContact O-N 3.43Å; K219-Q223 VanDerWaalsContact O-CG 3.25Å; K219-Q223 WeakPolarHBondContact O-CG 3.39Å; K219-Q223 PolarHBondContact O-N 3.09Å; K219-Q223 VanDerWaalsContact O-N 3.09Å
220E84.4Confident73.1Confident63 Ų6381.6 Ų81.629%0.29442%0.417SS..Hα-helixtrans-71.4-36.7-179.9-64.3-176.3167.600111.3L216 D217 Q223 A224L216-E220 HydrophobicContact CD1-CB 3.9Å; L216-E220 VanDerWaalsContact CD1-OE2 3.26Å; L216-E220 WeakPolarHBondContact CD1-OE2 3.3Å; L216-E220 HydrophobicContact CD2-CB 4.37Å; L216-E220 HydrophobicContact CG-CB 3.81Å; D217-E220 HydrophobicContact CB-CG 4.2Å; D217-E220 WeakPolarHBondContact O-CA 3.43Å; D217-E220 WeakPolarHBondContact O-CB 3.43Å; D217-E220 PolarHBondContact O-N 3.26Å; E220-Q223 PolarHBondContact O-N 3.06Å; E220-A224 WeakPolarHBondContact O-CB 3.09Å; E220-A224 PolarHBondContact O-N 3.26Å
221G85.7Confident75.9Confident0 Ų071.2 Ų71.20%038%0.378CS..Hα-helixtrans-62.8-42174.800000113.9L216 D217 A224 K225 N390L216-G221 VanDerWaalsContact CD2-CA 3.49Å; D217-G221 PolarHBondContact O-N 3.33Å; D217-G221 VanDerWaalsContact O-N 3.08Å; G221-A224 PolarHBondContact O-N 3.32Å; G221-K225 PolarHBondContact O-N 2.82Å; G221-N390 WeakPolarHBondContact CA-OD1 3.38Å; G221-N390 PolarHBondContact O-ND2 3.42Å
222E87.1Confident78.6Confident74 Ų7471.1 Ų71.135%0.34637%0.366SS..Hα-helixtrans-70.6-35.7174.6-72.8-59.8149.400112.5K218 K225 A226K218-E222 PolarHBondContact O-N 3.37Å; E222-K225 PolarHBondContact O-N 3.2Å; E222-A226 WeakPolarHBondContact O-CB 3.12Å; E222-A226 PolarHBondContact O-N 3.01Å
223Q89.8Confident81.4Confident103 Ų10371.1 Ų71.148%0.48136%0.364SS..Hα-helixtrans-62-45.4172.9-76.7176.5-4.700111.5K219 E220 A226 L227K219-Q223 VanDerWaalsContact O-CG 3.25Å; K219-Q223 WeakPolarHBondContact O-CG 3.39Å; K219-Q223 PolarHBondContact O-N 3.09Å; K219-Q223 VanDerWaalsContact O-N 3.09Å; E220-Q223 PolarHBondContact O-N 3.06Å; Q223-A226 PolarHBondContact O-N 2.82Å; Q223-L227 WeakPolarHBondContact O-CG 3.32Å; Q223-L227 PolarHBondContact O-N 2.82Å
224A90.1Very high83.8Confident0 Ų067 Ų670%034%0.338CS..Hα-helixtrans-62.2-43.1176.600000111.4W153 E220 G221 A226 L227 F228 F377 L386W153-A224 HydrophobicContact CB-CB 3.86Å; W153-A224 HydrophobicContact CG-CB 4.04Å; E220-A224 WeakPolarHBondContact O-CB 3.09Å; E220-A224 PolarHBondContact O-N 3.26Å; G221-A224 PolarHBondContact O-N 3.32Å; A224-A226 PolarHBondContact O-N 2.85Å; A224-L227 WeakPolarHBondContact O-CA 3.33Å; A224-L227 WeakPolarHBondContact O-CB 3.35Å; A224-L227 PolarHBondContact O-N 3.03Å; A224-F228 VanDerWaalsContact O-CD2 3.24Å; A224-F228 WeakPolarHBondContact O-CD2 3.17Å; A224-F228 PolarHBondContact O-N 2.78Å; A224-F377 HydrophobicContact CB-CE1 4.38Å; A224-L386 HydrophobicContact CB-CD1 4.23Å; A224-L386 HydrophobicContact CB-CD2 3.55Å
225K90.3Very high86Confident80 Ų8067 Ų6735%0.34832%0.318SS..Hα-helixtrans-58.6-46.1175.4-177.7-177.5174.2-173.20112.2G221 E222 L227 F228 E229 L386G221-K225 PolarHBondContact O-N 2.82Å; E222-K225 PolarHBondContact O-N 3.2Å; K225-L227 PolarHBondContact O-N 3.18Å; K225-F228 PolarHBondContact O-N 3.2Å; K225-E229 PolarHBondContact O-N 2.9Å; K225-L386 HydrophobicContact CB-CD2 4.38Å
226A92.1Very high87.4Confident40 Ų4066.9 Ų66.933%0.33131%0.312SS..Hα-helixtrans-63.9-29.1175.600000112.7E222 Q223 A224 K230E222-A226 WeakPolarHBondContact O-CB 3.12Å; E222-A226 PolarHBondContact O-N 3.01Å; Q223-A226 PolarHBondContact O-N 2.82Å; A224-A226 PolarHBondContact O-N 2.85Å; A226-K230 VanDerWaalsContact O-CG 3.27Å; A226-K230 WeakPolarHBondContact O-CG 3.04Å; A226-K230 PolarHBondContact O-N 3.03Å
227L92.8Very high88.5Confident13 Ų1371.6 Ų71.67%0.06833%0.334CS..Hα-helixtrans-71-42.9173.5-70.8171000111.9K147 Q223 A224 K225 E229 K230 V231 F377K147-L227 HydrophobicContact CB-CD1 4.37Å; K147-L227 HydrophobicContact CB-CD2 3.65Å; K147-L227 HydrophobicContact CD-CD2 4.16Å; Q223-L227 WeakPolarHBondContact O-CG 3.32Å; Q223-L227 PolarHBondContact O-N 2.82Å; A224-L227 WeakPolarHBondContact O-CA 3.33Å; A224-L227 WeakPolarHBondContact O-CB 3.35Å; A224-L227 PolarHBondContact O-N 3.03Å; K225-L227 PolarHBondContact O-N 3.18Å; L227-E229 VanDerWaalsContact C-N 3.32Å; L227-E229 PolarHBondContact O-N 2.6Å; L227-K230 PolarHBondContact O-N 3.05Å; L227-V231 WeakPolarHBondContact O-CB 3.5Å; L227-V231 VanDerWaalsContact O-CG2 3.29Å; L227-V231 WeakPolarHBondContact O-CG2 3.31Å; L227-V231 PolarHBondContact O-N 2.8Å; L227-F377 HydrophobicContact CB-CD1 4.35Å; L227-F377 HydrophobicContact CB-CE1 3.97Å; L227-F377 HydrophobicContact CB-CZ 4.41Å; L227-F377 HydrophobicContact CD1-CE1 4.41Å; L227-F377 HydrophobicContact CD1-CZ 4.08Å
228F92.6Very high89.3Confident1 Ų166.5 Ų66.50%0.00431%0.307CS..Hα-helixtrans-54.9-47174.3-84-79.6000111.8W153 A224 K225 K230 V231 K232 F377 E383 L386W153-F228 AromaticContact NE1-CE2 3.74Å; W153-F228 AromaticContact NE1-CZ 3.84Å; A224-F228 VanDerWaalsContact O-CD2 3.24Å; A224-F228 WeakPolarHBondContact O-CD2 3.17Å; A224-F228 PolarHBondContact O-N 2.78Å; K225-F228 PolarHBondContact O-N 3.2Å; F228-K230 PolarHBondContact O-N 3.3Å; F228-V231 PolarHBondContact O-N 3.32Å; F228-K232 WeakPolarHBondContact O-CG 3.31Å; F228-K232 PolarHBondContact O-N 3.21Å; F228-F377 HydrophobicContact CD1-CB 4.49Å; F228-F377 HydrophobicContact CD1-CD1 4.13Å; F228-F377 VanDerWaalsContact CD1-O 3.28Å; F228-F377 WeakPolarHBondContact CD1-O 3.39Å; F228-F377 AromaticContact CD2-CD1 3.76Å; F228-F377 HydrophobicContact CD2-CD1 3.76Å; F228-F377 HydrophobicContact CD2-CE1 4.06Å; F228-F377 VanDerWaalsContact CE1-CA 3.47Å; F228-F377 HydrophobicContact CE1-CB 4.33Å; F228-F377 HydrophobicContact CE1-CD1 4.03Å; F228-F377 WeakPolarHBondContact CE1-O 3.35Å; F228-F377 AromaticContact CE2-CD1 3.6Å; F228-F377 HydrophobicContact CE2-CD1 3.6Å; F228-F377 AromaticContact CE2-CE1 3.83Å; F228-F377 HydrophobicContact CE2-CE1 3.83Å; F228-F377 HydrophobicContact CG-CD1 4.01Å; F228-F377 AromaticContact CZ-CD1 3.75Å; F228-F377 HydrophobicContact CZ-CD1 3.75Å; F228-F377 HydrophobicContact CZ-CE1 4.34Å; F228-E383 HydrophobicContact CD1-CB 3.96Å; F228-E383 HydrophobicContact CD1-CG 4.18Å; F228-E383 HydrophobicContact CD2-CG 4.49Å; F228-E383 HydrophobicContact CE1-CB 3.81Å; F228-E383 HydrophobicContact CE1-CG 4.48Å; F228-E383 HydrophobicContact CG-CB 4.4Å; F228-E383 HydrophobicContact CG-CG 4.19Å; F228-E383 HydrophobicContact CZ-CB 4.17Å; F228-L386 HydrophobicContact CD2-CD2 3.78Å; F228-L386 HydrophobicContact CE2-CD2 3.63Å
229E92.1Very high89.7Confident123 Ų12363.6 Ų63.658%0.57529%0.294SS*.Hα-helixtrans-62.9-42.9177.4-69.8-177.1179.900112.5K225 L227 K232 K233K225-E229 PolarHBondContact O-N 2.9Å; L227-E229 VanDerWaalsContact C-N 3.32Å; L227-E229 PolarHBondContact O-N 2.6Å; E229-K232 PolarHBondContact O-N 2.99Å; E229-K233 WeakPolarHBondContact O-CB 3.44Å; E229-K233 PolarHBondContact O-N 2.9Å
230K93.1Very high89.7Confident101 Ų10163.7 Ų63.744%0.43930%0.298SS..Hα-helixtrans-63.3-43.3176.8-76.6173.9-175.2173.50111.9A226 L227 F228 K233 F234A226-K230 VanDerWaalsContact O-CG 3.27Å; A226-K230 WeakPolarHBondContact O-CG 3.04Å; A226-K230 PolarHBondContact O-N 3.03Å; L227-K230 PolarHBondContact O-N 3.05Å; F228-K230 PolarHBondContact O-N 3.3Å; K230-K233 PolarHBondContact O-N 3.15Å; K230-F234 WeakPolarHBondContact O-CB 3.22Å; K230-F234 PolarHBondContact O-N 2.96Å
231V93.2Very high89.7Confident1 Ų161.6 Ų61.61%0.00629%0.293CS..Hα-helixtrans-62.6-46.8177.7170.20000110.5I144 L227 F228 K233 F234 R235 F374 F377 L378I144-V231 HydrophobicContact CG2-CG2 3.63Å; L227-V231 WeakPolarHBondContact O-CB 3.5Å; L227-V231 VanDerWaalsContact O-CG2 3.29Å; L227-V231 WeakPolarHBondContact O-CG2 3.31Å; L227-V231 PolarHBondContact O-N 2.8Å; F228-V231 PolarHBondContact O-N 3.32Å; V231-K233 PolarHBondContact O-N 3.44Å; V231-F234 PolarHBondContact O-N 3.27Å; V231-R235 WeakPolarHBondContact O-CB 3.41Å; V231-R235 PolarHBondContact O-N 2.73Å; V231-F374 HydrophobicContact CG1-CZ 3.88Å; V231-F374 HydrophobicContact CG2-CE2 4.18Å; V231-F374 HydrophobicContact CG2-CZ 4.32Å; V231-F377 HydrophobicContact CG2-CB 4.24Å; V231-L378 HydrophobicContact CG1-CD2 3.65Å; V231-L378 HydrophobicContact CG1-CG 4.42Å
232K90.8Very high89.9Confident88 Ų8862.5 Ų62.538%0.38330%0.298SS..Hα-helixtrans-59.8-48176.9-74.3-177.4-177.9-175.80112.2F228 E229 F234 R235 I236 E383F228-K232 WeakPolarHBondContact O-CG 3.31Å; F228-K232 PolarHBondContact O-N 3.21Å; E229-K232 PolarHBondContact O-N 2.99Å; K232-F234 PolarHBondContact O-N 3.31Å; K232-R235 PolarHBondContact O-N 2.65Å; K232-I236 WeakPolarHBondContact O-CG1 3.29Å; K232-I236 PolarHBondContact O-N 2.84Å; K232-E383 VanDerWaalsContact CE-OE2 3.22Å; K232-E383 WeakPolarHBondContact CE-OE2 3.02Å; K232-E383 IonicContact NZ-OE1 3.69Å; K232-E383 IonicContact NZ-OE2 3.79Å; K232-E383 PolarHBondContact NZ-OE2 2.8Å
233K91.6Very high90.1Very high166 Ų16661.4 Ų61.472%0.72229%0.294SS*.Hα-helixtrans-64.5-41.3178.7-171.2175-176.6175.80111.9E229 K230 V231 H237E229-K233 WeakPolarHBondContact O-CB 3.44Å; E229-K233 PolarHBondContact O-N 2.9Å; K230-K233 PolarHBondContact O-N 3.15Å; V231-K233 PolarHBondContact O-N 3.44Å; K233-H237 PolarHBondContact O-N 2.96Å
234F91Very high90.2Very high6 Ų656.5 Ų56.53%0.02627%0.271CS..Hα-helixtrans-66-41.8178.4-178.5-113.2000112.3H140 F141 I144 K230 V231 K232 I236 H237 V238 F356 M359H140-F234 HydrophobicContact CB-CD2 4.3Å; H140-F234 HydrophobicContact CB-CE2 3.72Å; H140-F234 HydrophobicContact CB-CZ 4.42Å; H140-F234 AromaticContact CD2-CD2 3.05Å; H140-F234 WeakPolarHBondContact CD2-CD2 3.46Å; H140-F234 AromaticContact CD2-CE2 3.38Å; H140-F234 WeakPolarHBondContact CD2-CE2 3.4Å; H140-F234 AromaticContact CD2-CG 3.73Å; H140-F234 AromaticContact CG-CD2 3.9Å; H140-F234 AromaticContact CG-CE2 3.84Å; H140-F234 AromaticContact NE2-CD2 3.83Å; F141-F234 HydrophobicContact CB-CE1 3.96Å; F141-F234 HydrophobicContact CB-CZ 3.65Å; F141-F234 AromaticContact CD2-CE1 3.71Å; F141-F234 HydrophobicContact CD2-CE1 3.71Å; F141-F234 HydrophobicContact CD2-CZ 4.29Å; F141-F234 HydrophobicContact CG-CE1 4.27Å; F141-F234 HydrophobicContact CG-CZ 4.41Å; I144-F234 HydrophobicContact CD1-CB 3.5Å; I144-F234 VanDerWaalsContact CD1-CB 3.5Å; I144-F234 HydrophobicContact CD1-CD1 3.86Å; I144-F234 HydrophobicContact CD1-CD2 4.17Å; I144-F234 HydrophobicContact CD1-CG 3.56Å; K230-F234 WeakPolarHBondContact O-CB 3.22Å; K230-F234 PolarHBondContact O-N 2.96Å; V231-F234 PolarHBondContact O-N 3.27Å; K232-F234 PolarHBondContact O-N 3.31Å; F234-I236 PolarHBondContact O-N 3.43Å; F234-H237 PolarHBondContact O-N 3.16Å; F234-V238 HydrophobicContact CD1-CG2 4.27Å; F234-V238 HydrophobicContact CD2-CG2 3.75Å; F234-V238 HydrophobicContact CE1-CG2 3.78Å; F234-V238 HydrophobicContact CE2-CG2 3.23Å; F234-V238 HydrophobicContact CG-CG2 4.27Å; F234-V238 HydrophobicContact CZ-CB 4.41Å; F234-V238 HydrophobicContact CZ-CG2 3.27Å; F234-V238 WeakPolarHBondContact O-CG2 3.45Å; F234-V238 PolarHBondContact O-N 3.24Å; F234-F356 HydrophobicContact CD1-CD2 4.3Å; F234-F356 AromaticContact CD1-CE2 3.78Å; F234-F356 HydrophobicContact CD1-CE2 3.78Å; F234-F356 AromaticContact CE1-CD2 3.88Å; F234-F356 HydrophobicContact CE1-CD2 3.88Å; F234-F356 AromaticContact CE1-CE2 3.62Å; F234-F356 HydrophobicContact CE1-CE2 3.62Å; F234-M359 HydrophobicContact CZ-CE 4.49Å
235R90.9Very high90.3Very high64 Ų6458.2 Ų58.224%0.24228%0.277CS..Hα-helixtrans-54-52.6176.1179.6-177.2176.5-164.70.1111V231 K232 H237 V238 E239 P350 F356V231-R235 WeakPolarHBondContact O-CB 3.41Å; V231-R235 PolarHBondContact O-N 2.73Å; K232-R235 PolarHBondContact O-N 2.65Å; R235-H237 VanDerWaalsContact C-N 3.32Å; R235-H237 PolarHBondContact O-N 2.92Å; R235-V238 PolarHBondContact O-N 3.17Å; R235-E239 HydrophobicContact CG-CG 4.09Å; R235-E239 WeakPolarHBondContact CG-OE1 3.35Å; R235-E239 IonicContact CZ-OE1 2.76Å; R235-E239 IonicContact NE-OE1 3.45Å; R235-E239 PolarHBondContact NE-OE1 3.29Å; R235-E239 IonicContact NE-OE2 3.48Å; R235-E239 IonicContact NH2-OE1 3.92Å; R235-E239 VanDerWaalsContact O-CB 3.3Å; R235-E239 WeakPolarHBondContact O-CB 3.09Å; R235-E239 VanDerWaalsContact O-CG 3.31Å; R235-E239 WeakPolarHBondContact O-CG 3.19Å; R235-E239 PolarHBondContact O-N 3.41Å; R235-P350 VanDerWaalsContact NH1-CG 3.26Å; R235-F356 HydrophobicContact CG-CE1 4.41Å
236I87.8Confident90.4Very high107 Ų10760.5 Ų60.555%0.54928%0.284SS..Hα-helixtrans-57.7-47.3179.3-63.3166.4000110.3K232 F234 V238 E240K232-I236 WeakPolarHBondContact O-CG1 3.29Å; K232-I236 PolarHBondContact O-N 2.84Å; F234-I236 PolarHBondContact O-N 3.43Å; I236-V238 PolarHBondContact O-N 3.3Å; I236-E240 WeakPolarHBondContact O-CG 3.26Å
237H88.3Confident90.4Very high109 Ų10960 Ų6051%0.50528%0.275SS..Hα-helixtrans-63.4-36.9-178.5-178.465.3000114.1K233 F234 R235K233-H237 PolarHBondContact O-N 2.96Å; F234-H237 PolarHBondContact O-N 3.16Å; R235-H237 VanDerWaalsContact C-N 3.32Å; R235-H237 PolarHBondContact O-N 2.92Å
238V88.6Confident90.4Very high0 Ų059.5 Ų59.50%027%0.273CS..Hα-helixtrans-87.1-36.6-176.21770000112.6F234 R235 I236 E240 G241 D355 F356 M359F234-V238 HydrophobicContact CD1-CG2 4.27Å; F234-V238 HydrophobicContact CD2-CG2 3.75Å; F234-V238 HydrophobicContact CE1-CG2 3.78Å; F234-V238 HydrophobicContact CE2-CG2 3.23Å; F234-V238 HydrophobicContact CG-CG2 4.27Å; F234-V238 HydrophobicContact CZ-CB 4.41Å; F234-V238 HydrophobicContact CZ-CG2 3.27Å; F234-V238 WeakPolarHBondContact O-CG2 3.45Å; F234-V238 PolarHBondContact O-N 3.24Å; R235-V238 PolarHBondContact O-N 3.17Å; I236-V238 PolarHBondContact O-N 3.3Å; V238-E240 PolarHBondContact O-N 3.39Å; V238-G241 PolarHBondContact O-N 3.46Å; V238-D355 HydrophobicContact CG1-CB 3.72Å; V238-F356 HydrophobicContact CB-CB 4.31Å; V238-F356 HydrophobicContact CB-CD2 4.46Å; V238-F356 HydrophobicContact CG1-CB 3.72Å; V238-F356 HydrophobicContact CG1-CD2 4.24Å; V238-F356 HydrophobicContact CG1-CG 4.42Å; V238-M359 HydrophobicContact CG1-CE 3.56Å
239E87.4Confident90.4Very high43 Ų4361.1 Ų61.120%0.20128%0.281CS..Hα-helixtrans-61.9-23.7-179.7-77.2-174.9171.600112.7R235 G241 N354 F356R235-E239 HydrophobicContact CG-CG 4.09Å; R235-E239 WeakPolarHBondContact CG-OE1 3.35Å; R235-E239 IonicContact CZ-OE1 2.76Å; R235-E239 IonicContact NE-OE1 3.45Å; R235-E239 PolarHBondContact NE-OE1 3.29Å; R235-E239 IonicContact NE-OE2 3.48Å; R235-E239 IonicContact NH2-OE1 3.92Å; R235-E239 VanDerWaalsContact O-CB 3.3Å; R235-E239 WeakPolarHBondContact O-CB 3.09Å; R235-E239 VanDerWaalsContact O-CG 3.31Å; R235-E239 WeakPolarHBondContact O-CG 3.19Å; R235-E239 PolarHBondContact O-N 3.41Å; E239-G241 VanDerWaalsContact C-N 3.26Å; E239-G241 PolarHBondContact O-N 2.89Å; E239-N354 PolarHBondContact O-ND2 3Å; E239-F356 HydrophobicContact CG-CB 4.27Å
240E84.3Confident90.4Very high156 Ų15662.8 Ų62.873%0.72928%0.282SS*.THydrogen-bonded Turntrans-67-20.1177-74.7176.5-175.800114.3I236 V238I236-E240 WeakPolarHBondContact O-CG 3.26Å; V238-E240 PolarHBondContact O-N 3.39Å
241G84Confident90.4Very high19 Ų1958.5 Ų58.520%0.19626%0.264CS..  trans-126.3157.3-175.500000114.6V238 E239 N354 D355V238-G241 PolarHBondContact O-N 3.46Å; E239-G241 VanDerWaalsContact C-N 3.26Å; E239-G241 PolarHBondContact O-N 2.89Å; G241-N354 WeakPolarHBondContact O-CB 3.15Å; G241-D355 VanDerWaalsContact C-OD2 3.27Å; G241-D355 VanDerWaalsContact O-CB 3.25Å; G241-D355 WeakPolarHBondContact O-CB 3.44Å; G241-D355 PolarHBondContact O-N 3.32Å; G241-D355 VanDerWaalsContact O-N 3.16Å; G241-D355 VanDerWaalsContact O-OD2 3.09Å
242D90.3Very high90.4Very high19 Ų1958.6 Ų58.610%0.10226%0.264CS..  trans-128.429174.870-20.3000112.3R246 K333 N354 D355D242-R246 VanDerWaalsContact CG-NH2 3.29Å; D242-R246 WeakPolarHBondContact O-CB 3.37Å; D242-R246 VanDerWaalsContact O-CG 3.3Å; D242-R246 WeakPolarHBondContact O-CG 3.43Å; D242-R246 PolarHBondContact O-N 2.83Å; D242-R246 IonicContact OD1-CZ 2.69Å; D242-R246 IonicContact OD1-NE 3.85Å; D242-R246 PolarHBondContact OD1-NE 3.17Å; D242-R246 IonicContact OD1-NH2 3.39Å; D242-R246 PolarHBondContact OD1-NH2 2.84Å; D242-R246 IonicContact OD2-CZ 3.6Å; D242-R246 VanDerWaalsContact OD2-CZ 3.3Å; D242-R246 IonicContact OD2-NE 3.16Å; D242-R246 PolarHBondContact OD2-NE 2.94Å; D242-R246 IonicContact OD2-NH2 3.36Å; D242-R246 PolarHBondContact OD2-NH2 3.37Å; D242-K333 IonicContact OD2-NZ 2.94Å; D242-K333 PolarHBondContact OD2-NZ 3.38Å; D242-N354 HydrophobicContact CB-CB 4.4Å; D242-D355 WeakPolarHBondContact CA-OD1 3.45Å; D242-D355 WeakPolarHBondContact CA-OD2 3.45Å; D242-D355 PolarHBondContact N-OD2 2.75Å
243I91.9Very high90.6Very high51 Ų5157.8 Ų57.826%0.26226%0.263SS..Hα-helixtrans-69.9-36.2-174.4-168166.1000112.1F131 R133 T134 K137 L247 D355F131-I243 HydrophobicContact CE1-CD1 4.48Å; R133-I243 HydrophobicContact CB-CD1 4.06Å; T134-I243 HydrophobicContact CG2-CG1 4.4Å; T134-I243 HydrophobicContact CG2-CG2 4.21Å; K137-I243 HydrophobicContact CD-CG2 4.41Å; I243-L247 HydrophobicContact CG1-CD1 3.99Å; I243-L247 WeakPolarHBondContact O-CB 3.33Å; I243-L247 WeakPolarHBondContact O-CG 3.31Å; I243-L247 PolarHBondContact O-N 2.79Å; I243-D355 PolarHBondContact N-OD1 3.46Å; I243-D355 PolarHBondContact N-OD2 3.1Å
244V92.3Very high90.7Very high0 Ų053.6 Ų53.60%025%0.248CC..Hα-helixtrans-66.5-50179.1-177.30000108.8W128 T134 K137 L138 R246 L247 Y248 D355 F358 M359W128-V244 HydrophobicContact CE3-CG1 3.83Å; W128-V244 HydrophobicContact CZ3-CG1 3.85Å; T134-V244 HydrophobicContact CG2-CG2 4.01Å; K137-V244 HydrophobicContact CB-CG2 4.42Å; K137-V244 HydrophobicContact CD-CG2 4.15Å; L138-V244 HydrophobicContact CD2-CG1 4.15Å; V244-R246 PolarHBondContact O-N 3.14Å; V244-L247 PolarHBondContact O-N 3.41Å; V244-Y248 WeakPolarHBondContact O-CB 3.26Å; V244-Y248 PolarHBondContact O-N 3.24Å; V244-D355 WeakPolarHBondContact CA-OD1 3.31Å; V244-D355 HydrophobicContact CB-CB 4.42Å; V244-D355 VanDerWaalsContact CB-OD1 3.31Å; V244-D355 WeakPolarHBondContact CB-OD1 3.4Å; V244-D355 HydrophobicContact CG2-CB 4.43Å; V244-D355 PolarHBondContact N-OD1 2.64Å; V244-D355 PolarHBondContact N-OD2 3.05Å; V244-F358 HydrophobicContact CG1-CD1 4.03Å; V244-F358 HydrophobicContact CG1-CE1 4.01Å; V244-M359 HydrophobicContact CG1-CG 4.4Å
245Y92.3Very high90.8Very high35 Ų3553.6 Ų53.614%0.13725%0.248CC..Hα-helixtrans-58.8-47.2176.3172.4-99.3000112.1L247 Y248 I249 M327 L332 K333 D355 F358Y245-L247 VanDerWaalsContact C-N 3.34Å; Y245-L247 PolarHBondContact O-N 3.26Å; Y245-Y248 PolarHBondContact O-N 3.03Å; Y245-I249 PolarHBondContact O-N 2.86Å; Y245-M327 HydrophobicContact CD2-CE 4.44Å; Y245-M327 HydrophobicContact CE2-CE 4.05Å; Y245-L332 HydrophobicContact CD2-CB 4.45Å; Y245-L332 HydrophobicContact CE2-CB 4.07Å; Y245-L332 HydrophobicContact CE2-CD1 4.48Å; Y245-K333 HydrophobicContact CD1-CD 4.42Å; Y245-K333 HydrophobicContact CD1-CG 4.21Å; Y245-K333 HydrophobicContact CE1-CD 4.26Å; Y245-K333 HydrophobicContact CE1-CG 4.14Å; Y245-K333 HydrophobicContact CG-CG 4.47Å; Y245-D355 PolarHBondContact N-OD1 3.1Å; Y245-F358 HydrophobicContact CD2-CB 4.34Å; Y245-F358 AromaticContact CD2-CD2 3.67Å; Y245-F358 HydrophobicContact CD2-CD2 3.67Å; Y245-F358 HydrophobicContact CD2-CE2 4.15Å; Y245-F358 AromaticContact CD2-CG 3.97Å; Y245-F358 HydrophobicContact CD2-CG 3.97Å; Y245-F358 HydrophobicContact CE2-CD2 4.44Å
246R91.8Very high91.1Very high128 Ų12851 Ų5148%0.48324%0.239SC..Hα-helixtrans-63-38.1179.7-77.6-169.1-132.4-137.96.4112.8D242 V244 I249 R250D242-R246 VanDerWaalsContact CG-NH2 3.29Å; D242-R246 WeakPolarHBondContact O-CB 3.37Å; D242-R246 VanDerWaalsContact O-CG 3.3Å; D242-R246 WeakPolarHBondContact O-CG 3.43Å; D242-R246 PolarHBondContact O-N 2.83Å; D242-R246 IonicContact OD1-CZ 2.69Å; D242-R246 IonicContact OD1-NE 3.85Å; D242-R246 PolarHBondContact OD1-NE 3.17Å; D242-R246 IonicContact OD1-NH2 3.39Å; D242-R246 PolarHBondContact OD1-NH2 2.84Å; D242-R246 IonicContact OD2-CZ 3.6Å; D242-R246 VanDerWaalsContact OD2-CZ 3.3Å; D242-R246 IonicContact OD2-NE 3.16Å; D242-R246 PolarHBondContact OD2-NE 2.94Å; D242-R246 IonicContact OD2-NH2 3.36Å; D242-R246 PolarHBondContact OD2-NH2 3.37Å; V244-R246 PolarHBondContact O-N 3.14Å; R246-I249 WeakPolarHBondContact O-CG2 3.39Å; R246-R250 WeakPolarHBondContact O-CB 3.42Å; R246-R250 WeakPolarHBondContact O-CD 3.43Å; R246-R250 WeakPolarHBondContact O-CG 3.41Å; R246-R250 PolarHBondContact O-N 2.92Å
247L92.1Very high91.4Very high30 Ų3050.1 Ų50.116%0.15724%0.235CC..Hα-helixtrans-70.3-41.7177-78.9169.3000111.1F127 F131 T134 I243 V244 Y245 I249 R250 Q251F127-L247 HydrophobicContact CD1-CD2 4.24Å; F127-L247 HydrophobicContact CE1-CD1 4.49Å; F127-L247 HydrophobicContact CE1-CD2 3.84Å; F131-L247 HydrophobicContact CD1-CD1 3.97Å; F131-L247 HydrophobicContact CE1-CD1 4.33Å; T134-L247 HydrophobicContact CG2-CD1 3.35Å; I243-L247 HydrophobicContact CG1-CD1 3.99Å; I243-L247 WeakPolarHBondContact O-CB 3.33Å; I243-L247 WeakPolarHBondContact O-CG 3.31Å; I243-L247 PolarHBondContact O-N 2.79Å; V244-L247 PolarHBondContact O-N 3.41Å; Y245-L247 VanDerWaalsContact C-N 3.34Å; Y245-L247 PolarHBondContact O-N 3.26Å; L247-I249 PolarHBondContact O-N 3Å; L247-R250 PolarHBondContact O-N 2.94Å; L247-Q251 WeakPolarHBondContact O-CG 3.16Å; L247-Q251 PolarHBondContact O-N 3.06Å
248Y92.4Very high91.7Very high2 Ų248.6 Ų48.61%0.00823%0.227CC..Hα-helixtrans-64.5-39.7179.2-163.8-79.7000112.6W24 D25 W128 V244 Y245 Q251 T252 M327 F358 M362W24-Y248 PolarHBondContact NE1-OH 2.8Å; W24-Y248 VanDerWaalsContact NE1-OH 3.1Å; D25-Y248 PolarHBondContact OD1-OH 3.19Å; D25-Y248 PolarHBondContact OD2-OH 3.28Å; W128-Y248 HydrophobicContact CD2-CD2 4.17Å; W128-Y248 AromaticContact CE2-CD2 3.96Å; W128-Y248 HydrophobicContact CE3-CD2 4.46Å; W128-Y248 HydrophobicContact CH2-CD2 4.41Å; W128-Y248 HydrophobicContact CZ2-CD2 4.09Å; W128-Y248 HydrophobicContact CZ2-CE2 4.05Å; V244-Y248 WeakPolarHBondContact O-CB 3.26Å; V244-Y248 PolarHBondContact O-N 3.24Å; Y245-Y248 PolarHBondContact O-N 3.03Å; Y248-Q251 WeakPolarHBondContact O-CG 3.24Å; Y248-T252 PolarHBondContact O-N 2.99Å; Y248-T252 PolarHBondContact O-OG1 2.88Å; Y248-M327 HydrophobicContact CD1-CE 3.63Å; Y248-M327 HydrophobicContact CD1-SD 3.51Å; Y248-M327 VanDerWaalsContact CD1-SD 3.51Å; Y248-M327 HydrophobicContact CE1-CE 4.32Å; Y248-M327 HydrophobicContact CE1-SD 3.65Å; Y248-F358 HydrophobicContact CD1-CE2 4.4Å; Y248-F358 AromaticContact CD1-CZ 3.79Å; Y248-F358 HydrophobicContact CD1-CZ 3.79Å; Y248-F358 HydrophobicContact CD2-CE1 4.46Å; Y248-F358 HydrophobicContact CD2-CZ 4.03Å; Y248-F358 HydrophobicContact CE1-CZ 4.42Å; Y248-F358 HydrophobicContact CG-CE1 4.18Å; Y248-F358 AromaticContact CG-CZ 3.57Å; Y248-F358 HydrophobicContact CG-CZ 3.57Å; Y248-M362 HydrophobicContact CE2-CE 3.76Å
249I92.3Very high92Very high35 Ų3550 Ų5018%0.17923%0.233CC..Hα-helixtrans-69.3-39.7175.6-161.1168.3000111.8Y245 R246 L247 T252 I253 M327Y245-I249 PolarHBondContact O-N 2.86Å; R246-I249 WeakPolarHBondContact O-CG2 3.39Å; L247-I249 PolarHBondContact O-N 3Å; I249-T252 PolarHBondContact O-N 3.29Å; I249-I253 HydrophobicContact CG1-CD1 4.09Å; I249-I253 VanDerWaalsContact O-CG1 3.29Å; I249-I253 WeakPolarHBondContact O-CG1 3.43Å; I249-I253 PolarHBondContact O-N 3.43Å; I249-M327 HydrophobicContact CB-CE 3.65Å; I249-M327 HydrophobicContact CD1-CE 4.44Å; I249-M327 HydrophobicContact CG1-CE 3.97Å
250R92.5Very high92.3Very high158 Ų15852.6 Ų52.660%0.59625%0.247SC*.Hα-helixtrans-64.8-44.2179-76.5175177.5-172.2-1.2111.9R246 L247 T252 I253 I254R246-R250 WeakPolarHBondContact O-CB 3.42Å; R246-R250 WeakPolarHBondContact O-CD 3.43Å; R246-R250 WeakPolarHBondContact O-CG 3.41Å; R246-R250 PolarHBondContact O-N 2.92Å; L247-R250 PolarHBondContact O-N 2.94Å; R250-T252 VanDerWaalsContact C-N 3.32Å; R250-T252 PolarHBondContact O-N 2.8Å; R250-I253 PolarHBondContact O-N 3.26Å; R250-I254 WeakPolarHBondContact O-CD1 3.43Å; R250-I254 VanDerWaalsContact O-CG1 3.24Å; R250-I254 WeakPolarHBondContact O-CG1 3.45Å; R250-I254 PolarHBondContact O-N 2.95Å
251Q93Very high92.9Very high12 Ų1249.4 Ų49.46%0.05623%0.234CC..Hα-helixtrans-62.6-40.3177.566.2-172.48.600111.4C124 W128 L247 Y248 I254 K255C124-Q251 PolarHBondContact O-OE1 2.99Å; C124-Q251 VanDerWaalsContact O-OE1 3.06Å; W128-Q251 VanDerWaalsContact CD1-OE1 3.32Å; L247-Q251 WeakPolarHBondContact O-CG 3.16Å; L247-Q251 PolarHBondContact O-N 3.06Å; Y248-Q251 WeakPolarHBondContact O-CG 3.24Å; Q251-I254 PolarHBondContact O-N 3.06Å; Q251-K255 VanDerWaalsContact O-CG 3.28Å; Q251-K255 WeakPolarHBondContact O-CG 3.5Å; Q251-K255 PolarHBondContact O-N 3.32Å
252T92.9Very high93.4Very high3 Ų348.7 Ų48.72%0.01823%0.226CC..Hα-helixtrans-65.7-43178.2-56.50000111.6Y248 I249 R250 I254 K255 V256 T323 L324Y248-T252 PolarHBondContact O-N 2.99Å; Y248-T252 PolarHBondContact O-OG1 2.88Å; I249-T252 PolarHBondContact O-N 3.29Å; R250-T252 VanDerWaalsContact C-N 3.32Å; R250-T252 PolarHBondContact O-N 2.8Å; T252-I254 PolarHBondContact O-N 2.77Å; T252-K255 PolarHBondContact O-N 2.92Å; T252-V256 WeakPolarHBondContact O-CG2 3.36Å; T252-V256 PolarHBondContact O-N 3.09Å; T252-T323 WeakPolarHBondContact CG2-OG1 3.49Å; T252-L324 HydrophobicContact CG2-CB 3.94Å; T252-L324 HydrophobicContact CG2-CD1 4.27Å
253I94.4Very high93.6Very high70 Ų7049.8 Ų49.836%0.35923%0.231SC..Hα-helixtrans-60.9-45.7174.7-68.8166.6000110.8I249 R250 K255 V256 I257 L324I249-I253 HydrophobicContact CG1-CD1 4.09Å; I249-I253 VanDerWaalsContact O-CG1 3.29Å; I249-I253 WeakPolarHBondContact O-CG1 3.43Å; I249-I253 PolarHBondContact O-N 3.43Å; R250-I253 PolarHBondContact O-N 3.26Å; I253-K255 VanDerWaalsContact C-N 3.33Å; I253-K255 PolarHBondContact O-N 2.8Å; I253-V256 PolarHBondContact O-N 3.16Å; I253-I257 HydrophobicContact CG2-CD1 3.76Å; I253-I257 HydrophobicContact CG2-CG1 4.4Å; I253-I257 WeakPolarHBondContact O-CG1 3.42Å; I253-I257 PolarHBondContact O-N 2.86Å; I253-L324 HydrophobicContact CG1-CD1 3.74Å
254I94.4Very high93.7Very high78 Ų7850.8 Ų50.840%0.424%0.243SC..Hα-helixtrans-61.9-41.9178.7-68.6164.6000111R250 Q251 T252 I257 K258R250-I254 WeakPolarHBondContact O-CD1 3.43Å; R250-I254 VanDerWaalsContact O-CG1 3.24Å; R250-I254 WeakPolarHBondContact O-CG1 3.45Å; R250-I254 PolarHBondContact O-N 2.95Å; Q251-I254 PolarHBondContact O-N 3.06Å; T252-I254 PolarHBondContact O-N 2.77Å; I254-I257 PolarHBondContact O-N 3.32Å; I254-K258 HydrophobicContact CG2-CG 4.42Å; I254-K258 WeakPolarHBondContact O-CB 3.42Å; I254-K258 WeakPolarHBondContact O-CG 3.41Å; I254-K258 PolarHBondContact O-N 3.03Å
255K93.9Very high93.8Very high6 Ų653.2 Ų53.23%0.02625%0.252CS..Hα-helixtrans-59.3-46.3175.4-74.1171.8176.7-174.10111.5F121 C124 S125 Q251 T252 I253 K258 F259F121-K255 HydrophobicContact CD1-CG 4.39Å; C124-K255 HydrophobicContact CB-CG 4.22Å; S125-K255 WeakPolarHBondContact OG-CE 3.22Å; S125-K255 PolarHBondContact OG-NZ 2.92Å; Q251-K255 VanDerWaalsContact O-CG 3.28Å; Q251-K255 WeakPolarHBondContact O-CG 3.5Å; Q251-K255 PolarHBondContact O-N 3.32Å; T252-K255 PolarHBondContact O-N 2.92Å; I253-K255 VanDerWaalsContact C-N 3.33Å; I253-K255 PolarHBondContact O-N 2.8Å; K255-K258 PolarHBondContact O-N 3.02Å; K255-F259 WeakPolarHBondContact O-CB 3.4Å; K255-F259 PolarHBondContact O-N 2.89Å
256V95.5Very high93.8Very high10 Ų1051.6 Ų51.66%0.06125%0.247CC..Hα-helixtrans-63.2-44.6177.9169.60000111.7T252 I253 K258 F259 I260 C320 M321 L324T252-V256 WeakPolarHBondContact O-CG2 3.36Å; T252-V256 PolarHBondContact O-N 3.09Å; I253-V256 PolarHBondContact O-N 3.16Å; V256-K258 PolarHBondContact O-N 3.02Å; V256-F259 WeakPolarHBondContact O-CB 3.34Å; V256-F259 PolarHBondContact O-N 3.45Å; V256-I260 HydrophobicContact CG1-CD1 4.03Å; V256-I260 WeakPolarHBondContact O-CG1 3.46Å; V256-I260 PolarHBondContact O-N 2.72Å; V256-C320 HydrophobicContact CG2-CB 3.84Å; V256-M321 HydrophobicContact CB-SD 4.33Å; V256-M321 HydrophobicContact CG1-CG 4.49Å; V256-M321 HydrophobicContact CG1-SD 3.37Å; V256-M321 WeakPolarHBondContact CG1-SD 3.27Å; V256-M321 HydrophobicContact CG2-CG 4.45Å; V256-M321 HydrophobicContact CG2-SD 3.94Å; V256-L324 HydrophobicContact CG2-CD2 4.16Å
257I95.1Very high93.8Very high89 Ų8947.4 Ų47.446%0.45624%0.243SC..Hα-helixtrans-60.6-46.4176.6-68.3168000110.4I253 I254 F259 I260 L261I253-I257 HydrophobicContact CG2-CD1 3.76Å; I253-I257 HydrophobicContact CG2-CG1 4.4Å; I253-I257 WeakPolarHBondContact O-CG1 3.42Å; I253-I257 PolarHBondContact O-N 2.86Å; I254-I257 PolarHBondContact O-N 3.32Å; I257-F259 VanDerWaalsContact C-N 3.34Å; I257-F259 PolarHBondContact O-N 2.85Å; I257-I260 PolarHBondContact O-N 2.81Å; I257-L261 HydrophobicContact CG2-CD1 4.04Å; I257-L261 WeakPolarHBondContact O-CG 3.43Å; I257-L261 PolarHBondContact O-N 2.82Å
258K94Very high93.8Very high77 Ų7753.8 Ų53.834%0.33527%0.266SS..Hα-helixtrans-63.1-40.1177.8-74.6-68.1-177.2-178.30112.1I120 F121 I254 K255 V256 L261 I262I120-K258 HydrophobicContact CG2-CG 4.42Å; F121-K258 HydrophobicContact CE1-CB 3.81Å; F121-K258 HydrophobicContact CZ-CB 4.23Å; I254-K258 HydrophobicContact CG2-CG 4.42Å; I254-K258 WeakPolarHBondContact O-CB 3.42Å; I254-K258 WeakPolarHBondContact O-CG 3.41Å; I254-K258 PolarHBondContact O-N 3.03Å; K255-K258 PolarHBondContact O-N 3.02Å; V256-K258 PolarHBondContact O-N 3.02Å; K258-L261 PolarHBondContact O-N 3.14Å; K258-I262 WeakPolarHBondContact O-CB 3.4Å; K258-I262 WeakPolarHBondContact O-CD1 3.49Å; K258-I262 WeakPolarHBondContact O-CG1 3.48Å; K258-I262 PolarHBondContact O-N 2.84Å
259F94.9Very high93.9Very high29 Ų2956.6 Ų56.613%0.12728%0.277CS..Hα-helixtrans-55.7-51.8173.4157.4-109.7000111.8K255 V256 I257 L261 I262 I263 V313 G317K255-F259 WeakPolarHBondContact O-CB 3.4Å; K255-F259 PolarHBondContact O-N 2.89Å; V256-F259 WeakPolarHBondContact O-CB 3.34Å; V256-F259 PolarHBondContact O-N 3.45Å; I257-F259 VanDerWaalsContact C-N 3.34Å; I257-F259 PolarHBondContact O-N 2.85Å; F259-L261 VanDerWaalsContact C-N 3.35Å; F259-L261 PolarHBondContact O-N 3.32Å; F259-I262 PolarHBondContact O-N 3.1Å; F259-I263 HydrophobicContact CD2-CG1 3.87Å; F259-I263 HydrophobicContact CE2-CD1 4.19Å; F259-I263 HydrophobicContact CE2-CG1 3.4Å; F259-I263 VanDerWaalsContact CE2-CG1 3.4Å; F259-I263 HydrophobicContact CZ-CG1 4.11Å; F259-I263 PolarHBondContact O-N 3.16Å; F259-V313 HydrophobicContact CD2-CG1 3.68Å; F259-V313 VanDerWaalsContact CD2-O 3.24Å; F259-V313 WeakPolarHBondContact CD2-O 3.39Å; F259-V313 HydrophobicContact CE2-CG1 4.15Å; F259-V313 WeakPolarHBondContact CE2-O 3.46Å; F259-G317 VanDerWaalsContact CD2-CA 3.45Å
260I95Very high93.9Very high97 Ų9755.6 Ų55.650%0.49727%0.273SS..Hα-helixtrans-60.2-45.9-179.7-66.1165.3000110.7V256 I257 I262 S264V256-I260 HydrophobicContact CG1-CD1 4.03Å; V256-I260 WeakPolarHBondContact O-CG1 3.46Å; V256-I260 PolarHBondContact O-N 2.72Å; I257-I260 PolarHBondContact O-N 2.81Å; I260-I262 PolarHBondContact O-N 3.21Å; I260-S264 WeakPolarHBondContact O-CB 3.47Å; I260-S264 PolarHBondContact O-N 2.93Å; I260-S264 PolarHBondContact O-OG 3.32Å
261L95.5Very high93.8Very high89 Ų8952.4 Ų52.447%0.46627%0.274SS..Hα-helixtrans-59.8-48.5177.2-69.4172.6000111.2I257 K258 F259 I263 S264 Y265I257-L261 HydrophobicContact CG2-CD1 4.04Å; I257-L261 WeakPolarHBondContact O-CG 3.43Å; I257-L261 PolarHBondContact O-N 2.82Å; K258-L261 PolarHBondContact O-N 3.14Å; F259-L261 VanDerWaalsContact C-N 3.35Å; F259-L261 PolarHBondContact O-N 3.32Å; L261-I263 PolarHBondContact O-N 3.09Å; L261-S264 PolarHBondContact O-N 3.19Å; L261-S264 PolarHBondContact O-OG 3.01Å; L261-Y265 WeakPolarHBondContact O-CD1 3.47Å; L261-Y265 PolarHBondContact O-N 3.28Å
262I95.2Very high93.6Very high4 Ų453.9 Ų53.92%0.02129%0.286CS..Hα-helixtrans-59.8-49.8-178.8-68.6162.1000111.6H117 F121 K258 F259 I260 S264 Y265 T266 Y309 V313H117-I262 HydrophobicContact CB-CD1 3.67Å; H117-I262 VanDerWaalsContact CG-CD1 3.49Å; F121-I262 HydrophobicContact CE2-CD1 3.65Å; F121-I262 HydrophobicContact CZ-CD1 3.56Å; K258-I262 WeakPolarHBondContact O-CB 3.4Å; K258-I262 WeakPolarHBondContact O-CD1 3.49Å; K258-I262 WeakPolarHBondContact O-CG1 3.48Å; K258-I262 PolarHBondContact O-N 2.84Å; F259-I262 PolarHBondContact O-N 3.1Å; I260-I262 PolarHBondContact O-N 3.21Å; I262-S264 VanDerWaalsContact C-N 3.32Å; I262-S264 PolarHBondContact O-N 2.88Å; I262-Y265 VanDerWaalsContact CA-CE1 3.43Å; I262-Y265 HydrophobicContact CB-CE1 4.25Å; I262-Y265 HydrophobicContact CG1-CE1 4.08Å; I262-T266 HydrophobicContact CG2-CG2 4.05Å; I262-T266 VanDerWaalsContact O-CB 3.3Å; I262-T266 WeakPolarHBondContact O-CB 3.36Å; I262-T266 VanDerWaalsContact O-CG2 3.31Å; I262-T266 WeakPolarHBondContact O-CG2 3.46Å; I262-T266 PolarHBondContact O-N 2.92Å; I262-T266 PolarHBondContact O-OG1 3.06Å; I262-Y309 HydrophobicContact CG2-CE1 3.91Å; I262-V313 HydrophobicContact CB-CG1 4.41Å; I262-V313 HydrophobicContact CG2-CG1 3.99Å; I262-V313 HydrophobicContact CG2-CG2 4.32Å
263I94.7Very high93.4Very high42 Ų4254.1 Ų54.122%0.21529%0.287CS..Hα-helixtrans-61.1-42.1178.9-68.7-59.5000111.6F259 L261 G267 I310 V313 I314F259-I263 HydrophobicContact CD2-CG1 3.87Å; F259-I263 HydrophobicContact CE2-CD1 4.19Å; F259-I263 HydrophobicContact CE2-CG1 3.4Å; F259-I263 VanDerWaalsContact CE2-CG1 3.4Å; F259-I263 HydrophobicContact CZ-CG1 4.11Å; F259-I263 PolarHBondContact O-N 3.16Å; L261-I263 PolarHBondContact O-N 3.09Å; I263-G267 PolarHBondContact O-N 2.99Å; I263-I310 HydrophobicContact CD1-CG2 4.03Å; I263-V313 HydrophobicContact CD1-CB 3.91Å; I263-V313 HydrophobicContact CD1-CG1 3.61Å; I263-V313 HydrophobicContact CG1-CG1 3.86Å; I263-I314 HydrophobicContact CD1-CD1 4.45Å; I263-I314 HydrophobicContact CD1-CG1 3.66Å; I263-I314 HydrophobicContact CG1-CG1 4.38Å
264S93.3Very high93.2Very high72 Ų7257.1 Ų57.150%0.50330%0.297SS..Hα-helixtrans-60.7-50.6-177.269.50000112.9I260 L261 I262 Y268I260-S264 WeakPolarHBondContact O-CB 3.47Å; I260-S264 PolarHBondContact O-N 2.93Å; I260-S264 PolarHBondContact O-OG 3.32Å; L261-S264 PolarHBondContact O-N 3.19Å; L261-S264 PolarHBondContact O-OG 3.01Å; I262-S264 VanDerWaalsContact C-N 3.32Å; I262-S264 PolarHBondContact O-N 2.88Å; S264-Y268 PolarHBondContact O-N 2.97Å
265Y93.8Very high92.9Very high51 Ų5158.8 Ų58.820%0.230%0.302CS..Hα-helixtrans-82-36.4-176.981.5-102.4000111.9F106 H117 L261 I262 Y268 Y269F106-Y265 HydrophobicContact CE2-CD2 4.48Å; F106-Y265 HydrophobicContact CE2-CE2 4.13Å; H117-Y265 AromaticContact CE1-CZ 3.69Å; H117-Y265 PolarHBondContact CE1-OH 3.06Å; H117-Y265 PolarHBondContact ND1-OH 3.39Å; H117-Y265 PolarHBondContact NE2-OH 3.14Å; L261-Y265 WeakPolarHBondContact O-CD1 3.47Å; L261-Y265 PolarHBondContact O-N 3.28Å; I262-Y265 VanDerWaalsContact CA-CE1 3.43Å; I262-Y265 HydrophobicContact CB-CE1 4.25Å; I262-Y265 HydrophobicContact CG1-CE1 4.08Å; Y265-Y268 PolarHBondContact O-N 3.2Å; Y265-Y269 HydrophobicContact CD2-CD2 4.11Å; Y265-Y269 WeakPolarHBondContact O-CD2 2.84Å; Y265-Y269 PolarHBondContact O-N 3.16Å
266T93.4Very high92.6Very high2 Ų262.1 Ų62.11%0.01233%0.326CS..Hα-helixtrans-66.7-41.417855.60000111.2F106 I262 Y268 Y269 V270 Y309F106-T266 HydrophobicContact CE2-CG2 4.21Å; F106-T266 HydrophobicContact CZ-CG2 4.21Å; I262-T266 HydrophobicContact CG2-CG2 4.05Å; I262-T266 VanDerWaalsContact O-CB 3.3Å; I262-T266 WeakPolarHBondContact O-CB 3.36Å; I262-T266 VanDerWaalsContact O-CG2 3.31Å; I262-T266 WeakPolarHBondContact O-CG2 3.46Å; I262-T266 PolarHBondContact O-N 2.92Å; I262-T266 PolarHBondContact O-OG1 3.06Å; T266-Y268 VanDerWaalsContact C-N 3.28Å; T266-Y268 PolarHBondContact O-N 3.31Å; T266-Y269 PolarHBondContact O-N 3.1Å; T266-V270 WeakPolarHBondContact O-CB 3.26Å; T266-V270 WeakPolarHBondContact O-CG2 3.34Å; T266-V270 PolarHBondContact O-N 3.41Å; T266-Y309 HydrophobicContact CG2-CE1 4.28Å
267G91Very high92.3Very high40 Ų4063 Ų6341%0.41233%0.331SS..Hα-helixtrans-59.7-38.6174.900000112.6I263I263-G267 PolarHBondContact O-N 2.99Å
268Y93.6Very high91.9Very high163 Ų16361.7 Ų61.764%0.63933%0.327SS*.Hα-helixtrans-68-50.9176.1-177.2-100000112.4S264 Y265 T266S264-Y268 PolarHBondContact O-N 2.97Å; Y265-Y268 PolarHBondContact O-N 3.2Å; T266-Y268 VanDerWaalsContact C-N 3.28Å; T266-Y268 PolarHBondContact O-N 3.31Å
269Y93.8Very high91.6Very high62 Ų6258 Ų5824%0.24331%0.311CS..Hα-helixtrans-81.4-14.1-172-69-62.2000115.3H104 W105 F106 Y265 T266 S271 C272H104-Y269 AromaticContact CE1-CD1 3.33Å; H104-Y269 WeakPolarHBondContact CE1-CD1 3.23Å; H104-Y269 AromaticContact CE1-CE1 3.74Å; H104-Y269 AromaticContact NE2-CD1 3.68Å; H104-Y269 AromaticContact NE2-CE1 3.79Å; W105-Y269 HydrophobicContact CH2-CE2 4.44Å; W105-Y269 HydrophobicContact CZ2-CD2 4.12Å; W105-Y269 HydrophobicContact CZ2-CE1 4.34Å; W105-Y269 AromaticContact CZ2-CE2 3.75Å; W105-Y269 HydrophobicContact CZ2-CE2 3.75Å; W105-Y269 AromaticContact CZ2-CZ 3.87Å; F106-Y269 HydrophobicContact CB-CG 4.36Å; F106-Y269 WeakPolarHBondContact CD1-O 3.49Å; F106-Y269 HydrophobicContact CD2-CG 4.47Å; F106-Y269 HydrophobicContact CG-CG 4.33Å; Y265-Y269 HydrophobicContact CD2-CD2 4.11Å; Y265-Y269 WeakPolarHBondContact O-CD2 2.84Å; Y265-Y269 PolarHBondContact O-N 3.16Å; T266-Y269 PolarHBondContact O-N 3.1Å; Y269-S271 PolarHBondContact O-N 2.64Å; Y269-C272 VanDerWaalsContact O-CB 3.26Å; Y269-C272 WeakPolarHBondContact O-CB 3.32Å; Y269-C272 PolarHBondContact O-N 2.77Å
270V92.3Very high91.2Very high14 Ų1459.2 Ų59.29%0.08532%0.323CS..G310 helixtrans-60.3-32.2173.8161.20000112F106 T266 C272 I273 K303 A306 I310F106-V270 HydrophobicContact CE1-CG2 3.94Å; F106-V270 HydrophobicContact CZ-CG2 4.32Å; T266-V270 WeakPolarHBondContact O-CB 3.26Å; T266-V270 WeakPolarHBondContact O-CG2 3.34Å; T266-V270 PolarHBondContact O-N 3.41Å; V270-C272 PolarHBondContact O-N 2.93Å; V270-I273 PolarHBondContact O-N 3.43Å; V270-K303 HydrophobicContact CG1-CG 4.36Å; V270-A306 HydrophobicContact CG2-CB 3.55Å; V270-I310 HydrophobicContact CB-CD1 4.48Å; V270-I310 HydrophobicContact CG2-CD1 3.72Å
271S89.2Confident90.5Very high90 Ų9055.8 Ų55.863%0.62931%0.307SS*.G310 helixtrans-67.2-18.4174.7-630000113.4Y269 I273Y269-S271 PolarHBondContact O-N 2.64Å; S271-I273 VanDerWaalsContact C-N 3.35Å
272C89.1Confident89.6Confident44 Ų4458.8 Ų58.830%0.29732%0.323SS..G310 helixtrans-81.3-12.1177.9-57.90000113.3H104 Y269 V270 K274H104-C272 HydrophobicContact CB-CB 4.41Å; Y269-C272 VanDerWaalsContact O-CB 3.26Å; Y269-C272 WeakPolarHBondContact O-CB 3.32Å; Y269-C272 PolarHBondContact O-N 2.77Å; V270-C272 PolarHBondContact O-N 2.93Å; C272-K274 PolarHBondContact O-N 2.85Å
273I89.9Confident88.8Confident7 Ų759.2 Ų59.24%0.03633%0.325CS..  trans-78.6109.7176.7-55.5177.7000108.9F106 A107 V270 S271 A299 F302 K303F106-I273 HydrophobicContact CD1-CD1 4.02Å; F106-I273 HydrophobicContact CD1-CG1 4.13Å; F106-I273 HydrophobicContact CE1-CD1 3.94Å; F106-I273 HydrophobicContact CE1-CG1 4.48Å; A107-I273 HydrophobicContact CB-CG1 4.24Å; V270-I273 PolarHBondContact O-N 3.43Å; S271-I273 VanDerWaalsContact C-N 3.35Å; I273-A299 HydrophobicContact CG2-CB 3.84Å; I273-A299 VanDerWaalsContact CG2-O 3.25Å; I273-A299 WeakPolarHBondContact CG2-O 3.28Å; I273-F302 HydrophobicContact CD1-CB 4.48Å; I273-K303 HydrophobicContact CG2-CB 4.42Å
274K88.8Confident88Confident134 Ų13463 Ų6358%0.58334%0.342SS*.  trans-124.9143.7-176.4-64.1-176.5-178.7-178.80111.3C272 A299C272-K274 PolarHBondContact O-N 2.85Å; K274-A299 VanDerWaalsContact O-CB 3.27Å; K274-A299 WeakPolarHBondContact O-CB 3.29Å
275F89.4Confident87.4Confident113 Ų11370.2 Ų70.250%0.49636%0.364SS..SBendtrans-71.6-41.7176.4178.7-97.6000112.3A295 H296 T300F275-A295 HydrophobicContact CE1-CB 4.37Å; F275-A295 HydrophobicContact CZ-CB 4.33Å; F275-A295 CarbonylContact O-C 3.34Å; F275-A295 WeakPolarHBondContact O-CA 3.25Å; F275-H296 PolarHBondContact O-N 3.04Å; F275-T300 HydrophobicContact CD2-CG2 4.29Å
276S87.3Confident86.9Confident76 Ų7672.6 Ų72.653%0.53138%0.38SS..EExtended strand (participates in β ladder)trans-107.8131.6176.752.90000111.1C294S276-C294 CarbonylContact C-O 3.38Å; S276-C294 WeakPolarHBondContact CA-O 3.41Å
277V88.8Confident86.5Confident27 Ų2772.8 Ų72.816%0.16438%0.381CS..EExtended strand (participates in β ladder)trans-126.8125.2178.6-178.60000108.6M52 K102 L103 C294M52-V277 HydrophobicContact CE-CB 4.43Å; K102-V277 HydrophobicContact CB-CG1 4.28Å; L103-V277 HydrophobicContact CD1-CG2 4.47Å; V277-C294 PolarHBondContact N-O 3.12Å; V277-C294 WeakPolarHBondContact O-CB 3.25Å; V277-C294 PolarHBondContact O-N 2.95Å
278V87.2Confident86.1Confident63 Ų6373.3 Ų73.338%0.38239%0.387SS..EExtended strand (participates in β ladder)trans-81.8121.2172.5-178.20000108.4L291 Y293V278-L291 HydrophobicContact CG1-CD1 3.53Å; V278-L291 HydrophobicContact CG1-CG 4.22Å; V278-Y293 HydrophobicContact CG2-CD1 4Å; V278-Y293 HydrophobicContact CG2-CE1 3.4Å; V278-Y293 VanDerWaalsContact CG2-CE1 3.4Å
279C88.4Confident85.7Confident0 Ų067.7 Ų67.70%037%0.365CS..EExtended strand (participates in β ladder)trans-108.6104.6-179.1-178.90000110.5C98 K102 V281 F292C98-C279 WeakPolarHBondContact CA-SG 3.37Å; C98-C279 HydrophobicContact CB-CB 3.77Å; C98-C279 WeakPolarHBondContact CB-SG 3.44Å; C98-C279 WeakPolarHBondContact SG-CB 3.4Å; C98-C279 CovalentContact SG-SG 2.03Å; C98-C279 PolarHBondContact SG-SG 3.14Å; K102-C279 HydrophobicContact CG-CB 4.28Å; C279-V281 WeakPolarHBondContact SG-CG2 3.49Å; C279-F292 HydrophobicContact CB-CB 4.2Å; C279-F292 PolarHBondContact N-O 2.87Å; C279-F292 PolarHBondContact O-N 2.86Å
280S85.4Confident85.1Confident53 Ų5370 Ų7037%0.37137%0.373SS..EExtended strand (participates in β ladder)trans-101.4105.4169.755.50000109.9K102K102-S280 WeakPolarHBondContact CE-O 3.13Å; K102-S280 PolarHBondContact NZ-O 3.36Å; K102-S280 PolarHBondContact NZ-OG 3.32Å
281V80Confident84.9Confident25 Ų2569.4 Ų69.415%0.15237%0.369CS..  trans-136.7139.5179.4-172.10000108.6V97 K102 C279 M283V97-V281 HydrophobicContact CG1-CG1 3.92Å; V97-V281 HydrophobicContact CG1-CG2 4.47Å; K102-V281 HydrophobicContact CG-CG2 4.32Å; C279-V281 WeakPolarHBondContact SG-CG2 3.49Å; V281-M283 HydrophobicContact CB-CE 3.74Å; V281-M283 HydrophobicContact CB-CG 4.26Å; V281-M283 HydrophobicContact CG1-CE 4.03Å; V281-M283 HydrophobicContact CG1-CG 3.82Å; V281-M283 HydrophobicContact CG1-SD 4.33Å; V281-M283 HydrophobicContact CG2-CE 4.31Å; V281-M283 PolarHBondContact O-N 2.84Å
282N76.6Confident84.8Confident152 Ų15265.1 Ų65.181%0.81334%0.34SS*.SBendtrans-74.269.2-178.5-66-18.6000111.4
283M78.7Confident84.8Confident14 Ų1467.4 Ų67.47%0.06934%0.342CS..  trans-111.69.1178-62.9-172.8-81.600113.3Y93 V94 V97 V281 K285 L286 T287 F292Y93-M283 HydrophobicContact CD1-SD 4.21Å; Y93-M283 HydrophobicContact CE1-SD 3.64Å; V94-M283 HydrophobicContact CG1-CE 4.39Å; V94-M283 HydrophobicContact CG2-CE 4.38Å; V97-M283 HydrophobicContact CB-CE 4.01Å; V97-M283 HydrophobicContact CB-SD 3.79Å; V97-M283 HydrophobicContact CG1-CE 3.76Å; V97-M283 HydrophobicContact CG1-SD 3.58Å; V97-M283 VanDerWaalsContact CG1-SD 3.58Å; V97-M283 HydrophobicContact CG2-SD 3.93Å; V281-M283 HydrophobicContact CB-CE 3.74Å; V281-M283 HydrophobicContact CB-CG 4.26Å; V281-M283 HydrophobicContact CG1-CE 4.03Å; V281-M283 HydrophobicContact CG1-CG 3.82Å; V281-M283 HydrophobicContact CG1-SD 4.33Å; V281-M283 HydrophobicContact CG2-CE 4.31Å; V281-M283 PolarHBondContact O-N 2.84Å; M283-K285 PolarHBondContact O-N 2.9Å; M283-K285 VanDerWaalsContact O-N 3.09Å; M283-L286 PolarHBondContact O-N 2.98Å; M283-T287 PolarHBondContact O-N 2.9Å; M283-T287 PolarHBondContact O-OG1 2.82Å; M283-F292 HydrophobicContact CE-CE2 4.3Å
284E79.1Confident84.9Confident121 Ų12167.2 Ų67.257%0.56534%0.342SS*.Hα-helixtrans-54.4-34.7-173-169.9174.7-169.500113.4L286 G288E284-L286 VanDerWaalsContact C-N 3.27Å; E284-L286 PolarHBondContact O-N 2.98Å; E284-G288 WeakPolarHBondContact O-CA 3.4Å; E284-G288 PolarHBondContact O-N 2.77Å
285K80.3Confident85Confident224 Ų22462.3 Ų62.397%0.97433%0.326SS*.Hα-helixtrans-67.6-22.5177.3-66.1-176.5178.6-179.50114.2M283M283-K285 PolarHBondContact O-N 2.9Å; M283-K285 VanDerWaalsContact O-N 3.09Å
286L83.3Confident85.1Confident100 Ų10057 Ų5752%0.52430%0.303SS..Hα-helixtrans-103.8-36.8-176.9-174.268.7000112.4Q90 Y93 M283 E284Q90-L286 PolarHBondContact NE2-O 3.33Å; Y93-L286 HydrophobicContact CD1-CD2 3.86Å; Y93-L286 HydrophobicContact CE1-CD2 3.43Å; Y93-L286 VanDerWaalsContact CE1-CD2 3.43Å; M283-L286 PolarHBondContact O-N 2.98Å; E284-L286 VanDerWaalsContact C-N 3.27Å; E284-L286 PolarHBondContact O-N 2.98Å
287T83.4Confident85.2Confident6 Ų656.3 Ų56.34%0.03730%0.297CS..Hα-helixtrans-117.7-6-173.159.40000113.6L86 V94 M283 Y289L86-T287 WeakPolarHBondContact CD2-O 3.29Å; V94-T287 HydrophobicContact CG2-CG2 3.76Å; M283-T287 PolarHBondContact O-N 2.9Å; M283-T287 PolarHBondContact O-OG1 2.82Å; T287-Y289 VanDerWaalsContact O-CD2 3.25Å; T287-Y289 WeakPolarHBondContact O-CD2 3.16Å; T287-Y289 PolarHBondContact O-N 2.8Å; T287-Y289 VanDerWaalsContact O-N 3.16Å
288G82.8Confident85.2Confident52 Ų5255.7 Ų55.754%0.53629%0.292SS..SBendtrans72.8-1178.600000115.7E284E284-G288 WeakPolarHBondContact O-CA 3.4Å; E284-G288 PolarHBondContact O-N 2.77Å
289Y84.9Confident85.4Confident44 Ų4452.8 Ų52.817%0.17328%0.275CS..  trans-128.1143.2-179.5-65.1-82.2000111.7P56 K58 Y84 L86 T287 F292P56-Y289 HydrophobicContact CB-CD1 3.75Å; P56-Y289 HydrophobicContact CB-CD2 3.57Å; P56-Y289 HydrophobicContact CB-CE1 4.23Å; P56-Y289 HydrophobicContact CB-CE2 4.05Å; P56-Y289 HydrophobicContact CB-CG 3.42Å; P56-Y289 VanDerWaalsContact CB-CG 3.42Å; P56-Y289 HydrophobicContact CG-CD2 4.08Å; P56-Y289 HydrophobicContact CG-CE2 4.14Å; P56-Y289 HydrophobicContact CG-CG 4.37Å; K58-Y289 HydrophobicContact CG-CE1 3.99Å; Y84-Y289 HydrophobicContact CD1-CE1 4.46Å; Y84-Y289 WeakPolarHBondContact O-CE2 3.17Å; Y84-Y289 PolarHBondContact O-OH 2.83Å; L86-Y289 HydrophobicContact CD1-CD2 3.99Å; L86-Y289 HydrophobicContact CD1-CE2 4.07Å; L86-Y289 HydrophobicContact CG-CD2 4.36Å; L86-Y289 HydrophobicContact CG-CE2 4.11Å; T287-Y289 VanDerWaalsContact O-CD2 3.25Å; T287-Y289 WeakPolarHBondContact O-CD2 3.16Å; T287-Y289 PolarHBondContact O-N 2.8Å; T287-Y289 VanDerWaalsContact O-N 3.16Å; Y289-F292 WeakPolarHBondContact O-CE2 3.39Å
290R82.9Confident85.4Confident110 Ų11056.7 Ų56.742%0.41530%0.299SS..SBendtrans-96.2-32.9-180175.9178.9149.9137.3-4.3113.8D63D63-R290 IonicContact OD1-CZ 2.91Å; D63-R290 IonicContact OD1-NE 3.05Å; D63-R290 IonicContact OD1-NH2 3.3Å; D63-R290 PolarHBondContact OD1-NH2 2.81Å; D63-R290 IonicContact OD2-NH2 2.74Å; D63-R290 PolarHBondContact OD2-NH2 3.4Å
291L86.8Confident85.7Confident2 Ų256.8 Ų56.81%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-121.9129.5-173.3-166.272.1000110.7C57 I60 C65 V278C57-L291 PolarHBondContact N-O 2.83Å; I60-L291 HydrophobicContact CD1-CB 3.77Å; I60-L291 HydrophobicContact CG1-CB 4.15Å; I60-L291 HydrophobicContact CG1-CD2 4.23Å; I60-L291 HydrophobicContact CG2-CD2 4.33Å; C65-L291 HydrophobicContact CB-CD2 3.71Å; V278-L291 HydrophobicContact CG1-CD1 3.53Å; V278-L291 HydrophobicContact CG1-CG 4.22Å
292F88.6Confident86.3Confident1 Ų155.6 Ų55.60%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-124.9137.6178.8-58.9-95.7000110.5C54 L55 P56 V94 C279 M283 Y289C54-F292 HydrophobicContact CB-CB 4.44Å; L55-F292 CarbonylContact O-C 3.57Å; L55-F292 VanDerWaalsContact O-CA 3.3Å; L55-F292 WeakPolarHBondContact O-CA 3.31Å; P56-F292 VanDerWaalsContact CA-CD1 3.46Å; P56-F292 HydrophobicContact CB-CD1 3.82Å; P56-F292 HydrophobicContact CB-CE1 3.68Å; V94-F292 HydrophobicContact CB-CE1 4.43Å; V94-F292 HydrophobicContact CG1-CB 4.36Å; V94-F292 HydrophobicContact CG1-CD1 3.49Å; V94-F292 VanDerWaalsContact CG1-CD1 3.49Å; V94-F292 HydrophobicContact CG1-CD2 4.18Å; V94-F292 HydrophobicContact CG1-CE1 3.72Å; V94-F292 HydrophobicContact CG1-CE2 4.38Å; V94-F292 HydrophobicContact CG1-CG 3.75Å; V94-F292 HydrophobicContact CG1-CZ 4.17Å; V94-F292 HydrophobicContact CG2-CD1 4.5Å; V94-F292 HydrophobicContact CG2-CE1 3.87Å; V94-F292 HydrophobicContact CG2-CZ 3.98Å; C279-F292 HydrophobicContact CB-CB 4.2Å; C279-F292 PolarHBondContact N-O 2.87Å; C279-F292 PolarHBondContact O-N 2.86Å; M283-F292 HydrophobicContact CE-CE2 4.3Å; Y289-F292 WeakPolarHBondContact O-CE2 3.39Å
293Y89.1Confident87.1Confident91 Ų9153.1 Ų53.136%0.35727%0.27SS..EExtended strand (participates in β ladder)trans-95.8121168.2-94.1-65000109.3C54 L55 C65 V278C54-Y293 WeakPolarHBondContact CA-O 3.38Å; L55-Y293 PolarHBondContact N-O 3.02Å; L55-Y293 PolarHBondContact O-N 2.8Å; C65-Y293 HydrophobicContact CB-CD2 3.77Å; C65-Y293 HydrophobicContact CB-CE2 3.19Å; C65-Y293 PolarHBondContact O-OH 2.8Å; C65-Y293 WeakPolarHBondContact SG-CE2 3.3Å; V278-Y293 HydrophobicContact CG2-CD1 4Å; V278-Y293 HydrophobicContact CG2-CE1 3.4Å; V278-Y293 VanDerWaalsContact CG2-CE1 3.4Å
294C90.9Very high87.8Confident4 Ų457.8 Ų57.83%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-114.7135.9-177.2-56.20000111.6M52 I53 C54 S276 V277M52-C294 HydrophobicContact CE-CB 3.19Å; M52-C294 WeakPolarHBondContact CE-SG 3.35Å; M52-C294 HydrophobicContact CG-CB 3.99Å; M52-C294 HydrophobicContact SD-CB 4.38Å; I53-C294 CarbonylContact O-C 3.59Å; I53-C294 VanDerWaalsContact O-CA 3.24Å; I53-C294 WeakPolarHBondContact O-CA 3.48Å; C54-C294 HydrophobicContact CB-CB 4.07Å; C54-C294 WeakPolarHBondContact CB-SG 3.44Å; C54-C294 WeakPolarHBondContact SG-CB 3.09Å; C54-C294 CovalentContact SG-SG 2.03Å; C54-C294 PolarHBondContact SG-SG 2.84Å; S276-C294 CarbonylContact C-O 3.38Å; S276-C294 WeakPolarHBondContact CA-O 3.41Å; V277-C294 PolarHBondContact N-O 3.12Å; V277-C294 WeakPolarHBondContact O-CB 3.25Å; V277-C294 PolarHBondContact O-N 2.95Å
295A91.3Very high88.5Confident30 Ų3052.9 Ų52.925%0.24827%0.272CS..EExtended strand (participates in β ladder)trans-102132.5171.400000110I53 F275 P297I53-A295 PolarHBondContact N-O 3.41Å; I53-A295 PolarHBondContact O-N 2.92Å; F275-A295 HydrophobicContact CE1-CB 4.37Å; F275-A295 HydrophobicContact CZ-CB 4.33Å; F275-A295 CarbonylContact O-C 3.34Å; F275-A295 WeakPolarHBondContact O-CA 3.25Å; A295-P297 WeakPolarHBondContact O-CD 3.3Å
296H91.5Very high89.1Confident1 Ų142.2 Ų42.21%0.00523%0.225CC..  trans-110.695171-175.2-135.9000109.3D50 F275 L298 A299D50-H296 IonicContact OD1-CD2 3.68Å; D50-H296 PolarHBondContact OD1-CD2 3.07Å; D50-H296 IonicContact OD1-CE1 3.58Å; D50-H296 IonicContact OD1-NE2 3.61Å; D50-H296 PolarHBondContact OD1-NE2 2.87Å; F275-H296 PolarHBondContact O-N 3.04Å; H296-L298 VanDerWaalsContact C-N 3.28Å; H296-L298 PolarHBondContact O-N 3.03Å; H296-A299 HydrophobicContact CB-CB 4.24Å; H296-A299 WeakPolarHBondContact O-CB 3.44Å; H296-A299 PolarHBondContact O-N 3.24Å; H296-A299 VanDerWaalsContact O-N 3.12Å
297P88.6Confident89.6Confident63 Ų6340.5 Ų40.541%0.40922%0.221SC..THydrogen-bonded Turntrans-62.6-32.6-173.9-24.134.9000113.8K51 A295 A299 T300K51-P297 WeakPolarHBondContact O-CD 3.19Å; A295-P297 WeakPolarHBondContact O-CD 3.3Å; P297-A299 PolarHBondContact O-N 2.93Å; P297-T300 PolarHBondContact O-OG1 2.9Å
298L90.1Very high90.2Very high13 Ų1345.2 Ų45.27%0.06824%0.241CC..Hα-helixtrans-72.5-12.8179-70178.4000113.5D50 H296 T300 L301 F302D50-L298 HydrophobicContact CB-CD1 3.76Å; H296-L298 VanDerWaalsContact C-N 3.28Å; H296-L298 PolarHBondContact O-N 3.03Å; L298-T300 VanDerWaalsContact C-N 3.29Å; L298-T300 PolarHBondContact O-N 3.12Å; L298-L301 HydrophobicContact CD2-CD2 4.44Å; L298-L301 PolarHBondContact O-N 2.83Å; L298-F302 HydrophobicContact CB-CE1 4.48Å; L298-F302 HydrophobicContact CB-CE2 4.43Å; L298-F302 HydrophobicContact CB-CZ 4.4Å; L298-F302 HydrophobicContact CD1-CZ 4.06Å; L298-F302 WeakPolarHBondContact O-CB 3.4Å; L298-F302 PolarHBondContact O-N 3.46Å
299A89.8Confident90.8Very high3 Ų342.8 Ų42.83%0.02522%0.215CC..Hα-helixtrans-57.1-40.4-177.900000113I273 K274 H296 P297 K303I273-A299 HydrophobicContact CG2-CB 3.84Å; I273-A299 VanDerWaalsContact CG2-O 3.25Å; I273-A299 WeakPolarHBondContact CG2-O 3.28Å; K274-A299 VanDerWaalsContact O-CB 3.27Å; K274-A299 WeakPolarHBondContact O-CB 3.29Å; H296-A299 HydrophobicContact CB-CB 4.24Å; H296-A299 WeakPolarHBondContact O-CB 3.44Å; H296-A299 PolarHBondContact O-N 3.24Å; H296-A299 VanDerWaalsContact O-N 3.12Å; P297-A299 PolarHBondContact O-N 2.93Å; A299-K303 VanDerWaalsContact O-CB 3.28Å; A299-K303 WeakPolarHBondContact O-CB 3.42Å; A299-K303 PolarHBondContact O-N 3.45Å
300T89.9Confident91.3Very high81 Ų8142 Ų4250%0.49721%0.214SC..Hα-helixtrans-66.5-46.6179.550.80000111.2F275 P297 L298 K303 I304F275-T300 HydrophobicContact CD2-CG2 4.29Å; P297-T300 PolarHBondContact O-OG1 2.9Å; L298-T300 VanDerWaalsContact C-N 3.29Å; L298-T300 PolarHBondContact O-N 3.12Å; T300-K303 PolarHBondContact O-N 3.4Å; T300-I304 WeakPolarHBondContact O-CG1 3.45Å; T300-I304 PolarHBondContact O-N 2.94Å; T300-I304 VanDerWaalsContact O-N 3.09Å
301L91.2Very high91.9Very high56 Ų5640 Ų4029%0.29322%0.217SC..Hα-helixtrans-65.4-44.3177.9-17761.4000111.9L45 L298 K303 I304 L305L45-L301 HydrophobicContact CD1-CD2 3.48Å; L45-L301 VanDerWaalsContact CD1-CD2 3.48Å; L298-L301 HydrophobicContact CD2-CD2 4.44Å; L298-L301 PolarHBondContact O-N 2.83Å; L301-K303 VanDerWaalsContact C-N 3.29Å; L301-K303 PolarHBondContact O-N 2.95Å; L301-I304 WeakPolarHBondContact O-CB 3.35Å; L301-I304 PolarHBondContact O-N 3.46Å; L301-I304 VanDerWaalsContact O-N 3.15Å; L301-L305 HydrophobicContact CD1-CG 4.46Å; L301-L305 HydrophobicContact CG-CD1 4.24Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.23Å
302F92.7Very high92.3Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-66.1-32.5177.9-76.24.1000112.3Q46 A107 P111 I273 L298 L305 A306Q46-F302 HydrophobicContact CB-CZ 3.92Å; Q46-F302 HydrophobicContact CG-CE2 4.25Å; Q46-F302 HydrophobicContact CG-CZ 4.11Å; A107-F302 WeakPolarHBondContact O-CD2 3.39Å; A107-F302 WeakPolarHBondContact O-CE2 3.48Å; P111-F302 HydrophobicContact CG-CZ 4.35Å; I273-F302 HydrophobicContact CD1-CB 4.48Å; L298-F302 HydrophobicContact CB-CE1 4.48Å; L298-F302 HydrophobicContact CB-CE2 4.43Å; L298-F302 HydrophobicContact CB-CZ 4.4Å; L298-F302 HydrophobicContact CD1-CZ 4.06Å; L298-F302 WeakPolarHBondContact O-CB 3.4Å; L298-F302 PolarHBondContact O-N 3.46Å; F302-L305 HydrophobicContact CD1-CD1 4.17Å; F302-L305 PolarHBondContact O-N 3.11Å; F302-A306 WeakPolarHBondContact O-CB 3.39Å; F302-A306 PolarHBondContact O-N 2.92Å
303K92.4Very high92.7Very high99 Ų9941 Ų4143%0.4322%0.222SC..Hα-helixtrans-65.1-41.8171.2-166.3171.3-174.9174.20111.7V270 I273 A299 T300 L301 A306 C307V270-K303 HydrophobicContact CG1-CG 4.36Å; I273-K303 HydrophobicContact CG2-CB 4.42Å; A299-K303 VanDerWaalsContact O-CB 3.28Å; A299-K303 WeakPolarHBondContact O-CB 3.42Å; A299-K303 PolarHBondContact O-N 3.45Å; T300-K303 PolarHBondContact O-N 3.4Å; L301-K303 VanDerWaalsContact C-N 3.29Å; L301-K303 PolarHBondContact O-N 2.95Å; K303-A306 PolarHBondContact O-N 3.49Å; K303-C307 WeakPolarHBondContact O-CB 3.35Å; K303-C307 PolarHBondContact O-N 2.96Å; K303-C307 PolarHBondContact O-SG 3.05Å
304I93.7Very high93Very high113 Ų11339.9 Ų39.958%0.57922%0.222SC*.Hα-helixtrans-62.9-49.1174.5-66165.3000110.7T300 L301 A306 C307 F308T300-I304 WeakPolarHBondContact O-CG1 3.45Å; T300-I304 PolarHBondContact O-N 2.94Å; T300-I304 VanDerWaalsContact O-N 3.09Å; L301-I304 WeakPolarHBondContact O-CB 3.35Å; L301-I304 PolarHBondContact O-N 3.46Å; L301-I304 VanDerWaalsContact O-N 3.15Å; I304-A306 VanDerWaalsContact C-N 3.33Å; I304-A306 PolarHBondContact O-N 3.23Å; I304-C307 PolarHBondContact O-N 3.33Å; I304-F308 WeakPolarHBondContact O-CB 3.15Å; I304-F308 PolarHBondContact O-N 2.93Å
305L94.1Very high93.2Very high18 Ų1843.1 Ų43.19%0.09424%0.241CC..Hα-helixtrans-62.2-39.1178.8-68.9176.9000112I38 F41 F110 L301 F302 F308 Y309I38-L305 HydrophobicContact CG2-CB 4.47Å; I38-L305 HydrophobicContact CG2-CD2 4.4Å; F41-L305 HydrophobicContact CD1-CD1 4.06Å; F41-L305 HydrophobicContact CD1-CD2 4.17Å; F41-L305 HydrophobicContact CE1-CD1 4.21Å; F41-L305 HydrophobicContact CE1-CD2 4.3Å; F110-L305 HydrophobicContact CE1-CB 4.11Å; L301-L305 HydrophobicContact CD1-CG 4.46Å; L301-L305 HydrophobicContact CG-CD1 4.24Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.23Å; F302-L305 HydrophobicContact CD1-CD1 4.17Å; F302-L305 PolarHBondContact O-N 3.11Å; L305-F308 PolarHBondContact O-N 2.6Å; L305-Y309 VanDerWaalsContact O-CB 3.27Å; L305-Y309 WeakPolarHBondContact O-CB 3.34Å; L305-Y309 PolarHBondContact O-N 3.09Å
306A93.8Very high93.4Very high0 Ų041.7 Ų41.70%023%0.229CC..Hα-helixtrans-69.6-41.3177.400000112.4F110 V270 F302 K303 I304 F308 Y309 I310F110-A306 HydrophobicContact CD2-CB 4.31Å; F110-A306 HydrophobicContact CE1-CB 4.36Å; F110-A306 HydrophobicContact CE2-CB 3.7Å; F110-A306 VanDerWaalsContact CZ-CA 3.47Å; F110-A306 HydrophobicContact CZ-CB 3.74Å; V270-A306 HydrophobicContact CG2-CB 3.55Å; F302-A306 WeakPolarHBondContact O-CB 3.39Å; F302-A306 PolarHBondContact O-N 2.92Å; K303-A306 PolarHBondContact O-N 3.49Å; I304-A306 VanDerWaalsContact C-N 3.33Å; I304-A306 PolarHBondContact O-N 3.23Å; A306-F308 VanDerWaalsContact C-N 3.35Å; A306-Y309 PolarHBondContact O-N 3.43Å; A306-I310 WeakPolarHBondContact O-CB 3.34Å; A306-I310 VanDerWaalsContact O-CG1 3.27Å; A306-I310 WeakPolarHBondContact O-CG1 3.44Å; A306-I310 PolarHBondContact O-N 3.38Å
307C93.8Very high93.6Very high63 Ų6341.6 Ų41.643%0.42623%0.229SC..Hα-helixtrans-60.9-43.9172.1-71.70000111.6K303 I304 I310 S311K303-C307 WeakPolarHBondContact O-CB 3.35Å; K303-C307 PolarHBondContact O-N 2.96Å; K303-C307 PolarHBondContact O-SG 3.05Å; I304-C307 PolarHBondContact O-N 3.33Å; C307-I310 PolarHBondContact O-N 3.14Å; C307-S311 PolarHBondContact O-N 3.44Å; C307-S311 VanDerWaalsContact O-N 3.07Å; C307-S311 PolarHBondContact O-OG 3.32Å
308F95.6Very high93.9Very high105 Ų10544 Ų4446%0.46124%0.238SC..Hα-helixtrans-64.3-42.4176.8-175.5-121.3000112.1I34 I38 I304 L305 A306 S311 L312I34-F308 HydrophobicContact CG2-CE1 4.3Å; I38-F308 HydrophobicContact CD1-CD1 3.39Å; I38-F308 HydrophobicContact CD1-CE1 3.56Å; I38-F308 HydrophobicContact CG1-CD1 4.09Å; I38-F308 HydrophobicContact CG1-CE1 4.18Å; I304-F308 WeakPolarHBondContact O-CB 3.15Å; I304-F308 PolarHBondContact O-N 2.93Å; L305-F308 PolarHBondContact O-N 2.6Å; A306-F308 VanDerWaalsContact C-N 3.35Å; F308-S311 PolarHBondContact O-N 3.49Å; F308-L312 HydrophobicContact CD1-CD1 4.06Å; F308-L312 HydrophobicContact CE1-CD1 3.71Å; F308-L312 HydrophobicContact CE1-CG 4.49Å; F308-L312 HydrophobicContact CZ-CD1 3.96Å; F308-L312 HydrophobicContact CZ-CD2 4.46Å; F308-L312 HydrophobicContact CZ-CG 4.33Å; F308-L312 WeakPolarHBondContact O-CG 3.1Å; F308-L312 PolarHBondContact O-N 3.03Å
309Y95.9Very high94.1Very high1 Ų144.3 Ų44.30%0.00424%0.239CC..Hα-helixtrans-60.6-45.9174.6174.7-107.2000112.4M35 F110 V114 H117 I262 T266 L305 A306 S311 L312 V313M35-Y309 HydrophobicContact CB-CE2 4.4Å; M35-Y309 HydrophobicContact CE-CD2 4.46Å; M35-Y309 HydrophobicContact CE-CE2 3.49Å; M35-Y309 VanDerWaalsContact CE-CE2 3.49Å; M35-Y309 HydrophobicContact CG-CD2 4.34Å; M35-Y309 HydrophobicContact CG-CE2 4.18Å; F110-Y309 HydrophobicContact CE2-CD1 4.16Å; F110-Y309 HydrophobicContact CZ-CG 4.44Å; V114-Y309 HydrophobicContact CB-CD2 4.49Å; V114-Y309 HydrophobicContact CB-CE2 4.2Å; V114-Y309 HydrophobicContact CG1-CD2 3.66Å; V114-Y309 HydrophobicContact CG1-CE2 3.46Å; V114-Y309 VanDerWaalsContact CG1-CE2 3.46Å; V114-Y309 HydrophobicContact CG1-CG 4.45Å; V114-Y309 HydrophobicContact CG2-CD1 3.98Å; V114-Y309 HydrophobicContact CG2-CD2 3.99Å; V114-Y309 HydrophobicContact CG2-CE1 3.94Å; V114-Y309 HydrophobicContact CG2-CE2 3.96Å; V114-Y309 HydrophobicContact CG2-CG 3.99Å; H117-Y309 WeakPolarHBondContact CB-OH 3.27Å; H117-Y309 PolarHBondContact ND1-OH 2.98Å; I262-Y309 HydrophobicContact CG2-CE1 3.91Å; T266-Y309 HydrophobicContact CG2-CE1 4.28Å; L305-Y309 VanDerWaalsContact O-CB 3.27Å; L305-Y309 WeakPolarHBondContact O-CB 3.34Å; L305-Y309 PolarHBondContact O-N 3.09Å; A306-Y309 PolarHBondContact O-N 3.43Å; Y309-S311 VanDerWaalsContact C-N 3.32Å; Y309-S311 PolarHBondContact O-N 3.18Å; Y309-L312 PolarHBondContact O-N 2.99Å; Y309-V313 HydrophobicContact CD1-CG2 4.23Å; Y309-V313 HydrophobicContact CD2-CG2 4.09Å; Y309-V313 HydrophobicContact CE1-CG2 3.77Å; Y309-V313 HydrophobicContact CE2-CG2 3.61Å; Y309-V313 HydrophobicContact CG-CG2 4.38Å; Y309-V313 VanDerWaalsContact CZ-CG2 3.45Å; Y309-V313 WeakPolarHBondContact O-CG2 3.38Å; Y309-V313 PolarHBondContact O-N 3.07Å
310I95Very high94.3Very high27 Ų2744.3 Ų44.314%0.13824%0.239CC..Hα-helixtrans-58.2-46.4176.6-73168.4000110.2I263 V270 A306 C307 L312 V313 I314I263-I310 HydrophobicContact CD1-CG2 4.03Å; V270-I310 HydrophobicContact CB-CD1 4.48Å; V270-I310 HydrophobicContact CG2-CD1 3.72Å; A306-I310 WeakPolarHBondContact O-CB 3.34Å; A306-I310 VanDerWaalsContact O-CG1 3.27Å; A306-I310 WeakPolarHBondContact O-CG1 3.44Å; A306-I310 PolarHBondContact O-N 3.38Å; C307-I310 PolarHBondContact O-N 3.14Å; I310-L312 VanDerWaalsContact C-N 3.33Å; I310-L312 PolarHBondContact O-N 3.43Å; I310-V313 PolarHBondContact O-N 3.41Å; I310-I314 HydrophobicContact CG2-CD1 3.9Å; I310-I314 HydrophobicContact CG2-CG1 4.44Å; I310-I314 VanDerWaalsContact O-CG1 3.31Å; I310-I314 WeakPolarHBondContact O-CG1 3.36Å; I310-I314 PolarHBondContact O-N 3.23Å
311S95.3Very high94.5Very high70 Ų7044.1 Ų44.149%0.4923%0.234SC..Hα-helixtrans-58-43.4176.5-630000112.4C307 F308 Y309 I314 V315C307-S311 PolarHBondContact O-N 3.44Å; C307-S311 VanDerWaalsContact O-N 3.07Å; C307-S311 PolarHBondContact O-OG 3.32Å; F308-S311 PolarHBondContact O-N 3.49Å; Y309-S311 VanDerWaalsContact C-N 3.32Å; Y309-S311 PolarHBondContact O-N 3.18Å; S311-I314 PolarHBondContact O-N 3.4Å; S311-V315 WeakPolarHBondContact O-CG2 3.39Å; S311-V315 PolarHBondContact O-N 2.89Å; S311-V315 VanDerWaalsContact O-N 3.13Å
312L95.4Very high94.7Very high22 Ų2246.3 Ų46.312%0.11524%0.239CC..Hα-helixtrans-64.6-41.9176.2-72170.5000112.6I31 I34 M35 I38 F308 Y309 I310 I314 V315 Y316I31-L312 HydrophobicContact CG2-CB 4.46Å; I34-L312 HydrophobicContact CB-CD1 4.47Å; I34-L312 HydrophobicContact CG2-CD1 3.6Å; I34-L312 HydrophobicContact CG2-CD2 4.34Å; M35-L312 HydrophobicContact CG-CB 4.38Å; M35-L312 HydrophobicContact CG-CD1 4.46Å; I38-L312 HydrophobicContact CD1-CD1 3.38Å; F308-L312 HydrophobicContact CD1-CD1 4.06Å; F308-L312 HydrophobicContact CE1-CD1 3.71Å; F308-L312 HydrophobicContact CE1-CG 4.49Å; F308-L312 HydrophobicContact CZ-CD1 3.96Å; F308-L312 HydrophobicContact CZ-CD2 4.46Å; F308-L312 HydrophobicContact CZ-CG 4.33Å; F308-L312 WeakPolarHBondContact O-CG 3.1Å; F308-L312 PolarHBondContact O-N 3.03Å; Y309-L312 PolarHBondContact O-N 2.99Å; I310-L312 VanDerWaalsContact C-N 3.33Å; I310-L312 PolarHBondContact O-N 3.43Å; L312-I314 VanDerWaalsContact C-N 3.32Å; L312-I314 PolarHBondContact O-N 3.32Å; L312-V315 PolarHBondContact O-N 3.48Å; L312-Y316 WeakPolarHBondContact O-CB 3.42Å; L312-Y316 PolarHBondContact O-N 2.62Å
313V95.9Very high94.7Very high0 Ų046.7 Ų46.70%024%0.241CC..Hα-helixtrans-66.1-35.6177.7174.40000111.2M35 F259 I262 I263 Y309 I310 Y316 G317M35-V313 HydrophobicContact CE-CG2 3.75Å; M35-V313 HydrophobicContact SD-CG2 4.46Å; F259-V313 HydrophobicContact CD2-CG1 3.68Å; F259-V313 VanDerWaalsContact CD2-O 3.24Å; F259-V313 WeakPolarHBondContact CD2-O 3.39Å; F259-V313 HydrophobicContact CE2-CG1 4.15Å; F259-V313 WeakPolarHBondContact CE2-O 3.46Å; I262-V313 HydrophobicContact CB-CG1 4.41Å; I262-V313 HydrophobicContact CG2-CG1 3.99Å; I262-V313 HydrophobicContact CG2-CG2 4.32Å; I263-V313 HydrophobicContact CD1-CB 3.91Å; I263-V313 HydrophobicContact CD1-CG1 3.61Å; I263-V313 HydrophobicContact CG1-CG1 3.86Å; Y309-V313 HydrophobicContact CD1-CG2 4.23Å; Y309-V313 HydrophobicContact CD2-CG2 4.09Å; Y309-V313 HydrophobicContact CE1-CG2 3.77Å; Y309-V313 HydrophobicContact CE2-CG2 3.61Å; Y309-V313 HydrophobicContact CG-CG2 4.38Å; Y309-V313 VanDerWaalsContact CZ-CG2 3.45Å; Y309-V313 WeakPolarHBondContact O-CG2 3.38Å; Y309-V313 PolarHBondContact O-N 3.07Å; I310-V313 PolarHBondContact O-N 3.41Å; V313-Y316 PolarHBondContact O-N 3.22Å; V313-G317 PolarHBondContact O-N 3.12Å
314I95.5Very high94.7Very high68 Ų6843.6 Ų43.635%0.34923%0.229SC..Hα-helixtrans-60.1-50.4172-68.8168.6000110.5I263 I310 S311 L312 Y316 G317 L318I263-I314 HydrophobicContact CD1-CD1 4.45Å; I263-I314 HydrophobicContact CD1-CG1 3.66Å; I263-I314 HydrophobicContact CG1-CG1 4.38Å; I310-I314 HydrophobicContact CG2-CD1 3.9Å; I310-I314 HydrophobicContact CG2-CG1 4.44Å; I310-I314 VanDerWaalsContact O-CG1 3.31Å; I310-I314 WeakPolarHBondContact O-CG1 3.36Å; I310-I314 PolarHBondContact O-N 3.23Å; S311-I314 PolarHBondContact O-N 3.4Å; L312-I314 VanDerWaalsContact C-N 3.32Å; L312-I314 PolarHBondContact O-N 3.32Å; I314-Y316 VanDerWaalsContact C-N 3.34Å; I314-Y316 PolarHBondContact O-N 3.27Å; I314-G317 PolarHBondContact O-N 2.91Å; I314-L318 HydrophobicContact CG2-CD1 4.09Å; I314-L318 HydrophobicContact CG2-CG 4.39Å; I314-L318 WeakPolarHBondContact O-CG 3.22Å; I314-L318 PolarHBondContact O-N 3.19Å
315V95.9Very high94.7Very high72 Ų7241.8 Ų41.844%0.43623%0.226SC..Hα-helixtrans-60.2-45177.9176.90000111I31 S311 L312 G317 L318 I319I31-V315 HydrophobicContact CD1-CG1 3.9Å; S311-V315 WeakPolarHBondContact O-CG2 3.39Å; S311-V315 PolarHBondContact O-N 2.89Å; S311-V315 VanDerWaalsContact O-N 3.13Å; L312-V315 PolarHBondContact O-N 3.48Å; V315-G317 VanDerWaalsContact C-N 3.33Å; V315-G317 PolarHBondContact O-N 3.37Å; V315-L318 PolarHBondContact O-N 3.29Å; V315-I319 HydrophobicContact CG1-CD1 4.22Å; V315-I319 WeakPolarHBondContact O-CG1 3.48Å; V315-I319 PolarHBondContact O-N 2.96Å; V315-I319 VanDerWaalsContact O-N 3.15Å
316Y95.4Very high94.6Very high0 Ų042.1 Ų42.10%023%0.226CC..Hα-helixtrans-57.4-45.3175.1-174.5-84.5000112.1T28 I31 F121 L312 V313 I314 I319 C320T28-Y316 HydrophobicContact CG2-CD2 4.27Å; T28-Y316 HydrophobicContact CG2-CE2 3.97Å; I31-Y316 HydrophobicContact CB-CD2 4.31Å; I31-Y316 HydrophobicContact CG2-CD2 4.06Å; F121-Y316 AromaticContact CD1-CE1 3.67Å; F121-Y316 HydrophobicContact CD1-CE1 3.67Å; F121-Y316 AromaticContact CD1-CZ 3.89Å; F121-Y316 HydrophobicContact CD2-CE1 4.37Å; F121-Y316 HydrophobicContact CE1-CD1 4.38Å; F121-Y316 AromaticContact CE1-CE1 3.74Å; F121-Y316 HydrophobicContact CE1-CE1 3.74Å; F121-Y316 HydrophobicContact CE2-CE1 4.42Å; F121-Y316 HydrophobicContact CG-CE1 4.01Å; F121-Y316 AromaticContact CG-CZ 3.91Å; F121-Y316 HydrophobicContact CZ-CD1 4.33Å; F121-Y316 HydrophobicContact CZ-CE1 4.12Å; L312-Y316 WeakPolarHBondContact O-CB 3.42Å; L312-Y316 PolarHBondContact O-N 2.62Å; V313-Y316 PolarHBondContact O-N 3.22Å; I314-Y316 VanDerWaalsContact C-N 3.34Å; I314-Y316 PolarHBondContact O-N 3.27Å; Y316-I319 PolarHBondContact O-N 2.92Å; Y316-C320 WeakPolarHBondContact CE1-SG 3.38Å; Y316-C320 PolarHBondContact O-N 3.13Å; Y316-C320 PolarHBondContact O-SG 3.25Å
317G94.6Very high94.4Very high0 Ų042.2 Ų42.20%023%0.226CC..Hα-helixtrans-64.9-41.4179.400000113.2F259 V313 I314 V315 I319 C320 M321F259-G317 VanDerWaalsContact CD2-CA 3.45Å; V313-G317 PolarHBondContact O-N 3.12Å; I314-G317 PolarHBondContact O-N 2.91Å; V315-G317 VanDerWaalsContact C-N 3.33Å; V315-G317 PolarHBondContact O-N 3.37Å; G317-I319 VanDerWaalsContact C-N 3.33Å; G317-I319 PolarHBondContact O-N 3.45Å; G317-C320 PolarHBondContact O-N 3.12Å; G317-M321 WeakPolarHBondContact O-CB 3.32Å; G317-M321 VanDerWaalsContact O-CG 3.3Å; G317-M321 WeakPolarHBondContact O-CG 3.33Å; G317-M321 PolarHBondContact O-N 2.95Å
318L95.3Very high94.2Very high112 Ų11244.3 Ų44.359%0.58624%0.237SC*.Hα-helixtrans-61.8-41.5176-70.4174.3000111.6I314 V315 M321 Y322I314-L318 HydrophobicContact CG2-CD1 4.09Å; I314-L318 HydrophobicContact CG2-CG 4.39Å; I314-L318 WeakPolarHBondContact O-CG 3.22Å; I314-L318 PolarHBondContact O-N 3.19Å; V315-L318 PolarHBondContact O-N 3.29Å; L318-M321 PolarHBondContact O-N 3.18Å; L318-Y322 WeakPolarHBondContact O-CB 3.48Å; L318-Y322 PolarHBondContact O-N 3.48Å
319I95.3Very high93.8Very high20 Ų2050.3 Ų50.310%0.10326%0.257CS..Hα-helixtrans-63.6-47174.3-63.7167.7000110.1W24 F27 T28 I31 V315 Y316 G317 M321 Y322 T323W24-I319 HydrophobicContact CB-CG2 3.62Å; F27-I319 HydrophobicContact CB-CD1 3.99Å; T28-I319 HydrophobicContact CG2-CG2 3.89Å; I31-I319 HydrophobicContact CD1-CD1 3.76Å; V315-I319 HydrophobicContact CG1-CD1 4.22Å; V315-I319 WeakPolarHBondContact O-CG1 3.48Å; V315-I319 PolarHBondContact O-N 2.96Å; V315-I319 VanDerWaalsContact O-N 3.15Å; Y316-I319 PolarHBondContact O-N 2.92Å; G317-I319 VanDerWaalsContact C-N 3.33Å; G317-I319 PolarHBondContact O-N 3.45Å; I319-M321 VanDerWaalsContact C-N 3.34Å; I319-M321 PolarHBondContact O-N 3.18Å; I319-Y322 WeakPolarHBondContact O-CB 3.45Å; I319-Y322 PolarHBondContact O-N 3.45Å; I319-T323 WeakPolarHBondContact O-CG2 3.46Å; I319-T323 PolarHBondContact O-N 2.69Å
320C94.5Very high93.2Very high3 Ų357.4 Ų57.42%0.0228%0.283CS..Hα-helixtrans-61.4-40.9177.7-68.50000112.3V256 Y316 G317 T323 L324V256-C320 HydrophobicContact CG2-CB 3.84Å; Y316-C320 WeakPolarHBondContact CE1-SG 3.38Å; Y316-C320 PolarHBondContact O-N 3.13Å; Y316-C320 PolarHBondContact O-SG 3.25Å; G317-C320 PolarHBondContact O-N 3.12Å; C320-T323 WeakPolarHBondContact CA-OG1 3.01Å; C320-T323 PolarHBondContact O-N 3.25Å; C320-T323 PolarHBondContact O-OG1 3.3Å; C320-L324 PolarHBondContact O-N 3.44Å
321M93.6Very high92.7Very high77 Ų7760.5 Ų60.538%0.37931%0.308SS..Hα-helixtrans-63.3-43.2175.1-76.1-63.4-67.100111.7V256 G317 L318 I319 T323 L324 C325V256-M321 HydrophobicContact CB-SD 4.33Å; V256-M321 HydrophobicContact CG1-CG 4.49Å; V256-M321 HydrophobicContact CG1-SD 3.37Å; V256-M321 WeakPolarHBondContact CG1-SD 3.27Å; V256-M321 HydrophobicContact CG2-CG 4.45Å; V256-M321 HydrophobicContact CG2-SD 3.94Å; G317-M321 WeakPolarHBondContact O-CB 3.32Å; G317-M321 VanDerWaalsContact O-CG 3.3Å; G317-M321 WeakPolarHBondContact O-CG 3.33Å; G317-M321 PolarHBondContact O-N 2.95Å; L318-M321 PolarHBondContact O-N 3.18Å; I319-M321 VanDerWaalsContact C-N 3.34Å; I319-M321 PolarHBondContact O-N 3.18Å; M321-T323 VanDerWaalsContact C-N 3.34Å; M321-T323 PolarHBondContact O-N 3.39Å; M321-L324 PolarHBondContact O-N 3.42Å; M321-C325 WeakPolarHBondContact O-CB 3.47Å; M321-C325 PolarHBondContact O-N 3.04Å; M321-C325 PolarHBondContact O-SG 3.44Å
322Y94.4Very high92.4Very high102 Ų10257.2 Ų57.240%0.428%0.284SS..Hα-helixtrans-56.8-48173.1168.9-92.2000111.3W23 W24 L318 I319 L324 C325 W326W23-Y322 AromaticContact CH2-CD1 3.93Å; W23-Y322 HydrophobicContact CH2-CD1 3.93Å; W23-Y322 AromaticContact CH2-CE1 3.85Å; W23-Y322 HydrophobicContact CH2-CE1 3.85Å; W23-Y322 AromaticContact CZ2-CD1 3.94Å; W23-Y322 HydrophobicContact CZ2-CD1 3.94Å; W23-Y322 AromaticContact CZ2-CE1 3.36Å; W23-Y322 HydrophobicContact CZ2-CE1 3.36Å; W23-Y322 AromaticContact CZ2-CZ 3.77Å; W24-Y322 AromaticContact CE3-CE1 3.88Å; W24-Y322 HydrophobicContact CE3-CE1 3.88Å; W24-Y322 HydrophobicContact CZ3-CE1 4.11Å; L318-Y322 WeakPolarHBondContact O-CB 3.48Å; L318-Y322 PolarHBondContact O-N 3.48Å; I319-Y322 WeakPolarHBondContact O-CB 3.45Å; I319-Y322 PolarHBondContact O-N 3.45Å; Y322-L324 VanDerWaalsContact C-N 3.35Å; Y322-L324 PolarHBondContact O-N 3.13Å; Y322-C325 PolarHBondContact O-N 3.01Å; Y322-W326 WeakPolarHBondContact O-CB 3.34Å; Y322-W326 PolarHBondContact O-N 3.34Å
323T92.6Very high91.9Very high9 Ų959.7 Ų59.76%0.05529%0.294CS..Hα-helixtrans-62.5-41179.261.80000112.3W24 T252 I319 C320 M321 W326 M327W24-T323 HydrophobicContact CB-CG2 3.59Å; W24-T323 HydrophobicContact CD2-CG2 3.77Å; W24-T323 HydrophobicContact CG-CG2 3.28Å; T252-T323 WeakPolarHBondContact CG2-OG1 3.49Å; I319-T323 WeakPolarHBondContact O-CG2 3.46Å; I319-T323 PolarHBondContact O-N 2.69Å; C320-T323 WeakPolarHBondContact CA-OG1 3.01Å; C320-T323 PolarHBondContact O-N 3.25Å; C320-T323 PolarHBondContact O-OG1 3.3Å; M321-T323 VanDerWaalsContact C-N 3.34Å; M321-T323 PolarHBondContact O-N 3.39Å; T323-W326 PolarHBondContact O-N 2.98Å; T323-M327 VanDerWaalsContact O-CG 3.27Å; T323-M327 WeakPolarHBondContact O-CG 3.44Å; T323-M327 PolarHBondContact O-N 3.17Å
324L93.5Very high91.6Very high33 Ų3368.5 Ų68.517%0.17333%0.328CS..Hα-helixtrans-63.7-44.9176.4-173.461.1000111.2T252 I253 V256 C320 M321 Y322 W326 M327 V328T252-L324 HydrophobicContact CG2-CB 3.94Å; T252-L324 HydrophobicContact CG2-CD1 4.27Å; I253-L324 HydrophobicContact CG1-CD1 3.74Å; V256-L324 HydrophobicContact CG2-CD2 4.16Å; C320-L324 PolarHBondContact O-N 3.44Å; M321-L324 PolarHBondContact O-N 3.42Å; Y322-L324 VanDerWaalsContact C-N 3.35Å; Y322-L324 PolarHBondContact O-N 3.13Å; L324-W326 PolarHBondContact O-N 2.59Å; L324-M327 PolarHBondContact O-N 3.32Å; L324-V328 HydrophobicContact CD1-CG2 4.45Å; L324-V328 VanDerWaalsContact O-CG2 3.32Å; L324-V328 WeakPolarHBondContact O-CG2 3.49Å; L324-V328 PolarHBondContact O-N 3.32Å
325C93.2Very high91.3Very high76 Ų7666 Ų6651%0.51431%0.314SS..Hα-helixtrans-61.4-42.6175.9-73.40000112M321 Y322 M327 V328 R329M321-C325 WeakPolarHBondContact O-CB 3.47Å; M321-C325 PolarHBondContact O-N 3.04Å; M321-C325 PolarHBondContact O-SG 3.44Å; Y322-C325 PolarHBondContact O-N 3.01Å; C325-M327 PolarHBondContact O-N 3.23Å; C325-V328 PolarHBondContact O-N 3.39Å; C325-R329 WeakPolarHBondContact O-CB 3.42Å; C325-R329 PolarHBondContact O-N 2.96Å
326W92.4Very high90.8Very high24 Ų2465.2 Ų65.29%0.09131%0.312CS..Hα-helixtrans-59.2-46.4175.8175.883.9000111.4W24 Y322 T323 L324 V328 R330 L332 M362 Q365W24-W326 HydrophobicContact CH2-CD2 4.28Å; W24-W326 HydrophobicContact CH2-CE3 4.33Å; W24-W326 HydrophobicContact CH2-CH2 4.37Å; W24-W326 HydrophobicContact CH2-CZ2 4.29Å; W24-W326 HydrophobicContact CH2-CZ3 4.37Å; W24-W326 HydrophobicContact CZ2-CE3 4.23Å; W24-W326 HydrophobicContact CZ2-CH2 4.34Å; W24-W326 HydrophobicContact CZ2-CZ3 4.07Å; Y322-W326 WeakPolarHBondContact O-CB 3.34Å; Y322-W326 PolarHBondContact O-N 3.34Å; T323-W326 PolarHBondContact O-N 2.98Å; L324-W326 PolarHBondContact O-N 2.59Å; W326-V328 PolarHBondContact O-N 3.02Å; W326-R330 PolarHBondContact O-N 3.36Å; W326-L332 HydrophobicContact CE3-CD1 3.95Å; W326-L332 HydrophobicContact CH2-CD1 3.8Å; W326-L332 HydrophobicContact CH2-CD2 3.73Å; W326-L332 HydrophobicContact CH2-CG 4.44Å; W326-L332 HydrophobicContact CZ2-CD2 3.86Å; W326-L332 HydrophobicContact CZ3-CD1 3.43Å; W326-L332 VanDerWaalsContact CZ3-CD1 3.43Å; W326-L332 HydrophobicContact CZ3-CD2 4.19Å; W326-L332 HydrophobicContact CZ3-CG 4.47Å; W326-M362 HydrophobicContact CH2-SD 4.18Å; W326-M362 HydrophobicContact CZ3-SD 4.21Å; W326-Q365 HydrophobicContact CH2-CG 4.46Å; W326-Q365 HydrophobicContact CZ2-CG 3.88Å
327M89.1Confident90.2Very high2 Ų265.2 Ų65.21%0.0131%0.312CS..Hα-helixtrans-67.2-30.5179.4-69.5-175.573.900114.6Y245 Y248 I249 T323 L324 C325 R330 L332 F358Y245-M327 HydrophobicContact CD2-CE 4.44Å; Y245-M327 HydrophobicContact CE2-CE 4.05Å; Y248-M327 HydrophobicContact CD1-CE 3.63Å; Y248-M327 HydrophobicContact CD1-SD 3.51Å; Y248-M327 VanDerWaalsContact CD1-SD 3.51Å; Y248-M327 HydrophobicContact CE1-CE 4.32Å; Y248-M327 HydrophobicContact CE1-SD 3.65Å; I249-M327 HydrophobicContact CB-CE 3.65Å; I249-M327 HydrophobicContact CD1-CE 4.44Å; I249-M327 HydrophobicContact CG1-CE 3.97Å; T323-M327 VanDerWaalsContact O-CG 3.27Å; T323-M327 WeakPolarHBondContact O-CG 3.44Å; T323-M327 PolarHBondContact O-N 3.17Å; L324-M327 PolarHBondContact O-N 3.32Å; C325-M327 PolarHBondContact O-N 3.23Å; M327-R330 VanDerWaalsContact O-O 3.12Å; M327-L332 HydrophobicContact CB-CD1 4.05Å; M327-L332 HydrophobicContact CE-CD1 4.42Å; M327-L332 HydrophobicContact CG-CD1 3.79Å; M327-F358 HydrophobicContact CE-CE2 4.34Å
328V88.9Confident89.6Confident108 Ų10870.8 Ų70.866%0.65534%0.337SS*.Hα-helixtrans-85.1-35179.81730000111.2L324 C325 W326L324-V328 HydrophobicContact CD1-CG2 4.45Å; L324-V328 VanDerWaalsContact O-CG2 3.32Å; L324-V328 WeakPolarHBondContact O-CG2 3.49Å; L324-V328 PolarHBondContact O-N 3.32Å; C325-V328 PolarHBondContact O-N 3.39Å; W326-V328 PolarHBondContact O-N 3.02Å
329R88Confident88.8Confident231 Ų23169 Ų6987%0.87233%0.334SS*.Hα-helixtrans-73.7-31.2-176.8-170.2173.5-176.5177.11112.9C325C325-R329 WeakPolarHBondContact O-CB 3.42Å; C325-R329 PolarHBondContact O-N 2.96Å
330R82.7Confident88Confident149 Ų14968.5 Ų68.556%0.56233%0.332SS*.SBendtrans-110.3138.8177.6-70.8-173.8174.7-172.8-0.8111W326 M327 L332W326-R330 PolarHBondContact O-N 3.36Å; M327-R330 VanDerWaalsContact O-O 3.12Å; R330-L332 HydrophobicContact CB-CD2 4.17Å; R330-L332 PolarHBondContact O-N 3.47Å
331S85.7Confident87.5Confident93 Ų9371.8 Ų71.865%0.6534%0.344SS*.  trans-75.187.8173.2610000111K333 R334S331-K333 PolarHBondContact O-N 2.88Å; S331-K333 VanDerWaalsContact O-N 3.15Å; S331-R334 PolarHBondContact O-N 3.46Å
332L87.8Confident86.9Confident0 Ų075.6 Ų75.60%036%0.361CS..THydrogen-bonded Turntrans-72.6-4.3-177.7-56.5176.8000114.6Y245 W326 M327 R330 R334 F358 H361Y245-L332 HydrophobicContact CD2-CB 4.45Å; Y245-L332 HydrophobicContact CE2-CB 4.07Å; Y245-L332 HydrophobicContact CE2-CD1 4.48Å; W326-L332 HydrophobicContact CE3-CD1 3.95Å; W326-L332 HydrophobicContact CH2-CD1 3.8Å; W326-L332 HydrophobicContact CH2-CD2 3.73Å; W326-L332 HydrophobicContact CH2-CG 4.44Å; W326-L332 HydrophobicContact CZ2-CD2 3.86Å; W326-L332 HydrophobicContact CZ3-CD1 3.43Å; W326-L332 VanDerWaalsContact CZ3-CD1 3.43Å; W326-L332 HydrophobicContact CZ3-CD2 4.19Å; W326-L332 HydrophobicContact CZ3-CG 4.47Å; M327-L332 HydrophobicContact CB-CD1 4.05Å; M327-L332 HydrophobicContact CE-CD1 4.42Å; M327-L332 HydrophobicContact CG-CD1 3.79Å; R330-L332 HydrophobicContact CB-CD2 4.17Å; R330-L332 PolarHBondContact O-N 3.47Å; L332-R334 VanDerWaalsContact C-N 3.32Å; L332-F358 HydrophobicContact CB-CD2 4.02Å; L332-F358 HydrophobicContact CD1-CD2 4.09Å; L332-F358 HydrophobicContact CD1-CE2 4.02Å; L332-F358 WeakPolarHBondContact O-CA 3.22Å; L332-F358 PolarHBondContact O-N 3.17Å; L332-H361 HydrophobicContact CD2-CB 4.14Å
333K86.6Confident85.9Confident75 Ų7576.3 Ų76.333%0.32637%0.368SS..THydrogen-bonded Turntrans-81.6-8.1175.7-71.7-168.8169.6-160.90113.8D242 Y245 S331 K353 N354D242-K333 IonicContact OD2-NZ 2.94Å; D242-K333 PolarHBondContact OD2-NZ 3.38Å; Y245-K333 HydrophobicContact CD1-CD 4.42Å; Y245-K333 HydrophobicContact CD1-CG 4.21Å; Y245-K333 HydrophobicContact CE1-CD 4.26Å; Y245-K333 HydrophobicContact CE1-CG 4.14Å; Y245-K333 HydrophobicContact CG-CG 4.47Å; S331-K333 PolarHBondContact O-N 2.88Å; S331-K333 VanDerWaalsContact O-N 3.15Å; K333-K353 CarbonylContact O-C 3.49Å; K333-K353 WeakPolarHBondContact O-CA 3.4Å; K333-N354 PolarHBondContact O-N 3.3Å
334R88.1Confident84.9Confident185 Ų18576.7 Ų76.770%0.69837%0.37SS*.EExtended strand (participates in β ladder)trans-128132.4176.1-65.4-174.9-178-177.90.9108.4S331 L332 L352 H361S331-R334 PolarHBondContact O-N 3.46Å; L332-R334 VanDerWaalsContact C-N 3.32Å; R334-L352 WeakPolarHBondContact CA-O 3.34Å; R334-H361 PolarHBondContact O-NE2 3.2Å
335Y88.8Confident83.8Confident15 Ų1578.1 Ų78.16%0.05938%0.383CS..EExtended strand (participates in β ladder)trans-127.5121.4175.3-173.7-78000107.6F337 L352 L360 H361 D364 S371Y335-F337 HydrophobicContact CD1-CD1 4.24Å; Y335-F337 HydrophobicContact CD1-CD2 4.29Å; Y335-F337 HydrophobicContact CD1-CE1 4.07Å; Y335-F337 HydrophobicContact CD1-CE2 4.1Å; Y335-F337 HydrophobicContact CD1-CG 4.38Å; Y335-F337 AromaticContact CD1-CZ 4Å; Y335-F337 HydrophobicContact CD1-CZ 4Å; Y335-F337 AromaticContact CE1-CD1 3.5Å; Y335-F337 HydrophobicContact CE1-CD1 3.5Å; Y335-F337 HydrophobicContact CE1-CD2 4.33Å; Y335-F337 AromaticContact CE1-CE1 3.4Å; Y335-F337 HydrophobicContact CE1-CE1 3.4Å; Y335-F337 HydrophobicContact CE1-CE2 4.24Å; Y335-F337 HydrophobicContact CE1-CG 4.01Å; Y335-F337 AromaticContact CE1-CZ 3.8Å; Y335-F337 HydrophobicContact CE1-CZ 3.8Å; Y335-L352 PolarHBondContact N-O 3.07Å; Y335-L352 PolarHBondContact O-N 2.94Å; Y335-L360 HydrophobicContact CD2-CB 4.09Å; Y335-L360 HydrophobicContact CE2-CB 4.24Å; Y335-L360 HydrophobicContact CG-CB 4.32Å; Y335-H361 HydrophobicContact CD2-CB 4.42Å; Y335-H361 AromaticContact CD2-CD2 3.62Å; Y335-H361 AromaticContact CD2-CE1 3.39Å; Y335-H361 WeakPolarHBondContact CD2-CE1 3.41Å; Y335-H361 AromaticContact CD2-CG 3.62Å; Y335-H361 AromaticContact CD2-ND1 3.52Å; Y335-H361 AromaticContact CD2-NE2 3.47Å; Y335-H361 WeakPolarHBondContact CD2-NE2 3.37Å; Y335-H361 AromaticContact CE2-CE1 3.98Å; Y335-H361 AromaticContact CE2-ND1 3.84Å; Y335-D364 HydrophobicContact CE2-CB 4.35Å; Y335-D364 PolarHBondContact OH-OD1 3.48Å; Y335-S371 WeakPolarHBondContact OH-CB 3.35Å
336S85.6Confident83.1Confident56 Ų5674.7 Ų74.739%0.39236%0.36SS..  trans-109.5140175.3550000109.8E338 D351S336-E338 PolarHBondContact O-N 3.41Å; S336-D351 WeakPolarHBondContact CA-OD1 3.41Å; S336-D351 WeakPolarHBondContact CB-OD1 3.33Å
337F84.4Confident82.5Confident0 Ų078.1 Ų78.10%039%0.387CS..  trans-92.238.4176.1-66.6-80.2000111.6Y335 S339 I340 R341 I349 L352 L360 A375 L378Y335-F337 HydrophobicContact CD1-CD1 4.24Å; Y335-F337 HydrophobicContact CD1-CD2 4.29Å; Y335-F337 HydrophobicContact CD1-CE1 4.07Å; Y335-F337 HydrophobicContact CD1-CE2 4.1Å; Y335-F337 HydrophobicContact CD1-CG 4.38Å; Y335-F337 AromaticContact CD1-CZ 4Å; Y335-F337 HydrophobicContact CD1-CZ 4Å; Y335-F337 AromaticContact CE1-CD1 3.5Å; Y335-F337 HydrophobicContact CE1-CD1 3.5Å; Y335-F337 HydrophobicContact CE1-CD2 4.33Å; Y335-F337 AromaticContact CE1-CE1 3.4Å; Y335-F337 HydrophobicContact CE1-CE1 3.4Å; Y335-F337 HydrophobicContact CE1-CE2 4.24Å; Y335-F337 HydrophobicContact CE1-CG 4.01Å; Y335-F337 AromaticContact CE1-CZ 3.8Å; Y335-F337 HydrophobicContact CE1-CZ 3.8Å; F337-S339 PolarHBondContact O-N 3.48Å; F337-I340 HydrophobicContact CB-CB 4.26Å; F337-I340 HydrophobicContact CB-CD1 4.45Å; F337-I340 HydrophobicContact CB-CG1 4.5Å; F337-I340 HydrophobicContact CD1-CD1 3.57Å; F337-I340 HydrophobicContact CD1-CG1 4.39Å; F337-I340 HydrophobicContact CE1-CD1 4.29Å; F337-I340 HydrophobicContact CG-CD1 4.45Å; F337-I340 PolarHBondContact O-N 2.79Å; F337-R341 WeakPolarHBondContact O-CG 3.35Å; F337-R341 PolarHBondContact O-N 2.99Å; F337-I349 HydrophobicContact CB-CG2 3.96Å; F337-I349 HydrophobicContact CD2-CG2 3.46Å; F337-I349 VanDerWaalsContact CD2-CG2 3.46Å; F337-I349 HydrophobicContact CE2-CG2 4.06Å; F337-I349 HydrophobicContact CG-CG2 3.84Å; F337-L352 HydrophobicContact CE2-CD1 3.45Å; F337-L352 VanDerWaalsContact CE2-CD1 3.45Å; F337-L352 HydrophobicContact CE2-CG 3.88Å; F337-L352 HydrophobicContact CZ-CD1 3.71Å; F337-L360 HydrophobicContact CZ-CD1 3.99Å; F337-A375 HydrophobicContact CD1-CB 3.94Å; F337-A375 HydrophobicContact CE1-CB 3.9Å; F337-A375 HydrophobicContact CG-CB 4.49Å; F337-A375 HydrophobicContact CZ-CB 4.46Å; F337-L378 HydrophobicContact CE2-CD1 3.63Å; F337-L378 HydrophobicContact CZ-CD1 3.79Å
338E81.8Confident82.3Confident116 Ų11680.5 Ų80.554%0.54240%0.4SS..Hα-helixtrans-61.6-44.7-170.5-167.1157.1-158.400112.3S336 I340 R341 E342S336-E338 PolarHBondContact O-N 3.41Å; E338-I340 PolarHBondContact O-N 2.9Å; E338-R341 PolarHBondContact O-N 3.23Å; E338-E342 WeakPolarHBondContact O-CG 3.42Å; E338-E342 PolarHBondContact O-N 3.33Å
339S77.8Confident82.2Confident74 Ų7475.5 Ų75.552%0.51737%0.369SS..Hα-helixtrans-59.6-33.5174.254.80000113.3F337 E343F337-S339 PolarHBondContact O-N 3.48Å; S339-E343 VanDerWaalsContact O-CB 3.24Å; S339-E343 WeakPolarHBondContact O-CB 3.34Å; S339-E343 PolarHBondContact O-N 3.47Å
340I79.1Confident82.2Confident10 Ų1066 Ų665%0.05134%0.338CS..Hα-helixtrans-77.1-38.3178.7-54.2-171.9000110.7F337 E338 E342 E343 S344 I349 K372 A375F337-I340 HydrophobicContact CB-CB 4.26Å; F337-I340 HydrophobicContact CB-CD1 4.45Å; F337-I340 HydrophobicContact CB-CG1 4.5Å; F337-I340 HydrophobicContact CD1-CD1 3.57Å; F337-I340 HydrophobicContact CD1-CG1 4.39Å; F337-I340 HydrophobicContact CE1-CD1 4.29Å; F337-I340 HydrophobicContact CG-CD1 4.45Å; F337-I340 PolarHBondContact O-N 2.79Å; E338-I340 PolarHBondContact O-N 2.9Å; I340-E342 PolarHBondContact O-N 3.08Å; I340-E343 PolarHBondContact O-N 3.33Å; I340-S344 WeakPolarHBondContact O-CA 3.44Å; I340-S344 VanDerWaalsContact O-CB 3.28Å; I340-S344 WeakPolarHBondContact O-CB 3.47Å; I340-S344 PolarHBondContact O-N 3.09Å; I340-S344 PolarHBondContact O-OG 3.22Å; I340-I349 HydrophobicContact CG2-CD1 3.92Å; I340-K372 HydrophobicContact CD1-CB 4.44Å; I340-K372 HydrophobicContact CD1-CG 4.04Å; I340-K372 HydrophobicContact CG1-CG 4.39Å; I340-A375 HydrophobicContact CD1-CB 3.73Å; I340-A375 HydrophobicContact CG2-CB 4.3Å
341R84.2Confident82.4Confident72 Ų7262.7 Ų62.727%0.27233%0.331SS..Hα-helixtrans-65.9-28174.8-65.9-176.3-163.2131.98.1112.1F337 E338 S344 I349 D351F337-R341 WeakPolarHBondContact O-CG 3.35Å; F337-R341 PolarHBondContact O-N 2.99Å; E338-R341 PolarHBondContact O-N 3.23Å; R341-S344 VanDerWaalsContact O-O 3.05Å; R341-I349 PolarHBondContact NE-O 3.31Å; R341-I349 PolarHBondContact NH2-O 3.34Å; R341-D351 IonicContact CZ-OD1 3.66Å; R341-D351 IonicContact NH1-OD1 3.47Å; R341-D351 PolarHBondContact NH1-OD1 2.82Å; R341-D351 IonicContact NH2-OD1 3.67Å; R341-D351 PolarHBondContact NH2-OD1 2.75Å
342E79.3Confident82.6Confident157 Ų15758.3 Ų58.373%0.73430%0.301SS*.Hα-helixtrans-78.4-39.4174.4-71.8178.7173.300112.3E338 I340E338-E342 WeakPolarHBondContact O-CG 3.42Å; E338-E342 PolarHBondContact O-N 3.33Å; I340-E342 PolarHBondContact O-N 3.08Å
343E74Confident82.6Confident118 Ų11864 Ų6455%0.55133%0.325SS*.Hα-helixtrans-86.6-16.8-177.1-165.8-178.2177.900113.5S339 I340 K372S339-E343 VanDerWaalsContact O-CB 3.24Å; S339-E343 WeakPolarHBondContact O-CB 3.34Å; S339-E343 PolarHBondContact O-N 3.47Å; I340-E343 PolarHBondContact O-N 3.33Å; E343-K372 IonicContact OE1-NZ 3.6Å; E343-K372 PolarHBondContact OE1-NZ 3.46Å; E343-K372 WeakPolarHBondContact OE2-CE 3.28Å; E343-K372 IonicContact OE2-NZ 2.56Å; E343-K372 PolarHBondContact OE2-NZ 2.99Å
344S71.3Confident82.7Confident16 Ų1662.9 Ų62.911%0.11232%0.323CS..SBendtrans-127.1155-17974.60000111.8I340 R341 Y346I340-S344 WeakPolarHBondContact O-CA 3.44Å; I340-S344 VanDerWaalsContact O-CB 3.28Å; I340-S344 WeakPolarHBondContact O-CB 3.47Å; I340-S344 PolarHBondContact O-N 3.09Å; I340-S344 PolarHBondContact O-OG 3.22Å; R341-S344 VanDerWaalsContact O-O 3.05Å; S344-Y346 PolarHBondContact O-N 2.91Å; S344-Y346 VanDerWaalsContact O-N 3.1Å
345S71.3Confident82.9Confident63 Ų6354 Ų5444%0.44129%0.29SS..SBendtrans-71.50.6177600000114.3T161 S347T161-S345 VanDerWaalsContact CG2-OG 3.27Å; T161-S345 WeakPolarHBondContact CG2-OG 3.4Å; S345-S347 PolarHBondContact O-N 2.97Å
346Y78.8Confident83Confident4 Ų453.3 Ų53.32%0.01629%0.287CS..  trans-86.682.5178.3-60.1-66.6000111.6A157 T161 S344 D348 I349 S379 V381A157-Y346 PolarHBondContact O-OH 2.96Å; T161-Y346 HydrophobicContact CG2-CD2 3.88Å; T161-Y346 HydrophobicContact CG2-CE2 3.33Å; S344-Y346 PolarHBondContact O-N 2.91Å; S344-Y346 VanDerWaalsContact O-N 3.1Å; Y346-D348 VanDerWaalsContact C-N 3.31Å; Y346-I349 WeakPolarHBondContact O-CD1 3.19Å; Y346-S379 WeakPolarHBondContact CD1-OG 3.28Å; Y346-V381 HydrophobicContact CD1-CB 4.3Å; Y346-V381 HydrophobicContact CD1-CG1 4.31Å; Y346-V381 HydrophobicContact CE1-CG1 4.22Å
347S79.2Confident83.3Confident96 Ų9650.7 Ų50.767%0.67127%0.268SS*.THydrogen-bonded Turntrans-78.1-13.6176.259.50000114.2S345S345-S347 PolarHBondContact O-N 2.97Å
348D85.4Confident83.7Confident52 Ų5250.7 Ų50.728%0.27827%0.268SS..THydrogen-bonded Turntrans-84.4-6.5-173.469-43.1000114.3Y346 S379 E380 V381Y346-D348 VanDerWaalsContact C-N 3.31Å; D348-S379 WeakPolarHBondContact OD1-CB 3.29Å; D348-S379 PolarHBondContact OD1-OG 2.74Å; D348-S379 WeakPolarHBondContact OD2-CA 3.41Å; D348-S379 PolarHBondContact OD2-OG 3.02Å; D348-E380 PolarHBondContact OD2-N 2.98Å; D348-V381 HydrophobicContact CB-CG2 4.28Å; D348-V381 PolarHBondContact OD2-N 3.38Å
349I86.2Confident84.2Confident3 Ų345.2 Ų45.22%0.01524%0.243CC..PPolyproline II helixtrans-59.4125.4-177.9-61162.7000109.5F337 I340 R341 Y346 A375 L378F337-I349 HydrophobicContact CB-CG2 3.96Å; F337-I349 HydrophobicContact CD2-CG2 3.46Å; F337-I349 VanDerWaalsContact CD2-CG2 3.46Å; F337-I349 HydrophobicContact CE2-CG2 4.06Å; F337-I349 HydrophobicContact CG-CG2 3.84Å; I340-I349 HydrophobicContact CG2-CD1 3.92Å; R341-I349 PolarHBondContact NE-O 3.31Å; R341-I349 PolarHBondContact NH2-O 3.34Å; Y346-I349 WeakPolarHBondContact O-CD1 3.19Å; I349-A375 HydrophobicContact CD1-CB 4.1Å; I349-A375 HydrophobicContact CG2-CB 4.48Å; I349-L378 HydrophobicContact CG2-CB 4.36Å
350P87.6Confident84.8Confident32 Ų3241.7 Ų41.721%0.20822%0.218CC..PPolyproline II helixtrans-79.4151.2-176.330.8-35.5000113.5R235 L378R235-P350 VanDerWaalsContact NH1-CG 3.26Å; P350-L378 WeakPolarHBondContact CD-O 3.46Å; P350-L378 HydrophobicContact CG-CB 4.36Å
351D87.9Confident85.4Confident79 Ų7942.5 Ų42.542%0.42222%0.222SC..PPolyproline II helixtrans-73.2144.5168.1-68.4-26000111.4S336 R341S336-D351 WeakPolarHBondContact CA-OD1 3.41Å; S336-D351 WeakPolarHBondContact CB-OD1 3.33Å; R341-D351 IonicContact CZ-OD1 3.66Å; R341-D351 IonicContact NH1-OD1 3.47Å; R341-D351 PolarHBondContact NH1-OD1 2.82Å; R341-D351 IonicContact NH2-OD1 3.67Å; R341-D351 PolarHBondContact NH2-OD1 2.75Å
352L88.8Confident85.7Confident1 Ų139.1 Ų39.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-108.3152.9-175.2-57.8174.4000111.7R334 Y335 F337 F356 A357 L360 L378R334-L352 WeakPolarHBondContact CA-O 3.34Å; Y335-L352 PolarHBondContact N-O 3.07Å; Y335-L352 PolarHBondContact O-N 2.94Å; F337-L352 HydrophobicContact CE2-CD1 3.45Å; F337-L352 VanDerWaalsContact CE2-CD1 3.45Å; F337-L352 HydrophobicContact CE2-CG 3.88Å; F337-L352 HydrophobicContact CZ-CD1 3.71Å; L352-F356 HydrophobicContact CB-CD1 4.03Å; L352-F356 HydrophobicContact CD1-CD1 3.49Å; L352-F356 VanDerWaalsContact CD1-CD1 3.49Å; L352-F356 HydrophobicContact CD1-CE1 3.33Å; L352-F356 HydrophobicContact CD1-CZ 4.4Å; L352-F356 HydrophobicContact CD2-CD1 3.68Å; L352-F356 HydrophobicContact CD2-CE1 3.62Å; L352-F356 HydrophobicContact CG-CD1 3.91Å; L352-F356 HydrophobicContact CG-CE1 4Å; L352-A357 HydrophobicContact CB-CB 4.38Å; L352-L360 HydrophobicContact CD1-CD1 3.12Å; L352-L378 HydrophobicContact CD1-CD1 4.02Å; L352-L378 HydrophobicContact CD2-CD1 4.28Å
353K87.9Confident86.2Confident119 Ų11931.7 Ų31.752%0.51717%0.174SC..EExtended strand (participates in β ladder)trans-130159.9-175.6-63.1178.2-174.7169.90112.9K333 A357K333-K353 CarbonylContact O-C 3.49Å; K333-K353 WeakPolarHBondContact O-CA 3.4Å; K353-A357 PolarHBondContact O-N 3.39Å
354N90.1Very high87Confident52 Ų5228.3 Ų28.328%0.27816%0.16SC..Hα-helixtrans60.2-136.9169.5-58.3-34.2000114.6E239 G241 D242 K333 F356 A357 F358E239-N354 PolarHBondContact O-ND2 3Å; G241-N354 WeakPolarHBondContact O-CB 3.15Å; D242-N354 HydrophobicContact CB-CB 4.4Å; K333-N354 PolarHBondContact O-N 3.3Å; N354-F356 PolarHBondContact O-N 3.11Å; N354-A357 PolarHBondContact O-N 3.09Å; N354-F358 PolarHBondContact O-N 3Å; N354-F358 VanDerWaalsContact O-N 3.09Å
355D90.6Very high87.9Confident0 Ų030.4 Ų30.40%017%0.168CC..Hα-helixtrans-57.6-36.6-176.2-83.8-23.2000111.8K137 V238 G241 D242 I243 V244 Y245 F358 M359K137-D355 IonicContact NZ-OD2 3.57Å; K137-D355 PolarHBondContact NZ-OD2 3.12Å; V238-D355 HydrophobicContact CG1-CB 3.72Å; G241-D355 VanDerWaalsContact C-OD2 3.27Å; G241-D355 VanDerWaalsContact O-CB 3.25Å; G241-D355 WeakPolarHBondContact O-CB 3.44Å; G241-D355 PolarHBondContact O-N 3.32Å; G241-D355 VanDerWaalsContact O-N 3.16Å; G241-D355 VanDerWaalsContact O-OD2 3.09Å; D242-D355 WeakPolarHBondContact CA-OD1 3.45Å; D242-D355 WeakPolarHBondContact CA-OD2 3.45Å; D242-D355 PolarHBondContact N-OD2 2.75Å; I243-D355 PolarHBondContact N-OD1 3.46Å; I243-D355 PolarHBondContact N-OD2 3.1Å; V244-D355 WeakPolarHBondContact CA-OD1 3.31Å; V244-D355 HydrophobicContact CB-CB 4.42Å; V244-D355 VanDerWaalsContact CB-OD1 3.31Å; V244-D355 WeakPolarHBondContact CB-OD1 3.4Å; V244-D355 HydrophobicContact CG2-CB 4.43Å; V244-D355 PolarHBondContact N-OD1 2.64Å; V244-D355 PolarHBondContact N-OD2 3.05Å; Y245-D355 PolarHBondContact N-OD1 3.1Å; D355-F358 PolarHBondContact O-N 3.14Å; D355-M359 VanDerWaalsContact O-CG 3.28Å; D355-M359 WeakPolarHBondContact O-CG 3.33Å; D355-M359 PolarHBondContact O-N 2.81Å
356F91.8Very high88.8Confident0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-67.5-44.1-177.6-165.8-122.8000111.9F141 F234 R235 V238 E239 L352 N354 F358 M359 L360 F374F141-F356 HydrophobicContact CD2-CD2 4.46Å; F141-F356 HydrophobicContact CD2-CE2 4.03Å; F141-F356 HydrophobicContact CE2-CD2 4.31Å; F141-F356 AromaticContact CE2-CE2 3.82Å; F141-F356 HydrophobicContact CE2-CE2 3.82Å; F234-F356 HydrophobicContact CD1-CD2 4.3Å; F234-F356 AromaticContact CD1-CE2 3.78Å; F234-F356 HydrophobicContact CD1-CE2 3.78Å; F234-F356 AromaticContact CE1-CD2 3.88Å; F234-F356 HydrophobicContact CE1-CD2 3.88Å; F234-F356 AromaticContact CE1-CE2 3.62Å; F234-F356 HydrophobicContact CE1-CE2 3.62Å; R235-F356 HydrophobicContact CG-CE1 4.41Å; V238-F356 HydrophobicContact CB-CB 4.31Å; V238-F356 HydrophobicContact CB-CD2 4.46Å; V238-F356 HydrophobicContact CG1-CB 3.72Å; V238-F356 HydrophobicContact CG1-CD2 4.24Å; V238-F356 HydrophobicContact CG1-CG 4.42Å; E239-F356 HydrophobicContact CG-CB 4.27Å; L352-F356 HydrophobicContact CB-CD1 4.03Å; L352-F356 HydrophobicContact CD1-CD1 3.49Å; L352-F356 VanDerWaalsContact CD1-CD1 3.49Å; L352-F356 HydrophobicContact CD1-CE1 3.33Å; L352-F356 HydrophobicContact CD1-CZ 4.4Å; L352-F356 HydrophobicContact CD2-CD1 3.68Å; L352-F356 HydrophobicContact CD2-CE1 3.62Å; L352-F356 HydrophobicContact CG-CD1 3.91Å; L352-F356 HydrophobicContact CG-CE1 4Å; N354-F356 PolarHBondContact O-N 3.11Å; F356-F358 VanDerWaalsContact C-N 3.34Å; F356-F358 PolarHBondContact O-N 3.05Å; F356-M359 HydrophobicContact CD2-CE 4.17Å; F356-M359 PolarHBondContact O-N 3.46Å; F356-L360 HydrophobicContact CD1-CD1 4.47Å; F356-L360 HydrophobicContact CE1-CD1 4.23Å; F356-L360 HydrophobicContact CZ-CD1 4.47Å; F356-L360 PolarHBondContact O-N 2.91Å; F356-L360 VanDerWaalsContact O-N 3.14Å; F356-F374 HydrophobicContact CE1-CE1 4.12Å; F356-F374 HydrophobicContact CE2-CE1 4.39Å; F356-F374 HydrophobicContact CE2-CZ 4.19Å; F356-F374 AromaticContact CZ-CE1 3.47Å; F356-F374 HydrophobicContact CZ-CE1 3.47Å; F356-F374 VanDerWaalsContact CZ-CE1 3.47Å; F356-F374 AromaticContact CZ-CZ 3.54Å; F356-F374 HydrophobicContact CZ-CZ 3.54Å
357A91.8Very high89.3Confident0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-59.5-44171.900000112.2L352 K353 N354 L360 H361L352-A357 HydrophobicContact CB-CB 4.38Å; K353-A357 PolarHBondContact O-N 3.39Å; N354-A357 PolarHBondContact O-N 3.09Å; A357-L360 PolarHBondContact O-N 3.01Å; A357-H361 PolarHBondContact O-CD2 3.16Å; A357-H361 PolarHBondContact O-N 3.06Å
358F92.7Very high89.6Confident0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-62.6-45.8179.4172.4-109.3000112V244 Y245 Y248 M327 L332 N354 D355 F356 L360 H361 M362V244-F358 HydrophobicContact CG1-CD1 4.03Å; V244-F358 HydrophobicContact CG1-CE1 4.01Å; Y245-F358 HydrophobicContact CD2-CB 4.34Å; Y245-F358 AromaticContact CD2-CD2 3.67Å; Y245-F358 HydrophobicContact CD2-CD2 3.67Å; Y245-F358 HydrophobicContact CD2-CE2 4.15Å; Y245-F358 AromaticContact CD2-CG 3.97Å; Y245-F358 HydrophobicContact CD2-CG 3.97Å; Y245-F358 HydrophobicContact CE2-CD2 4.44Å; Y248-F358 HydrophobicContact CD1-CE2 4.4Å; Y248-F358 AromaticContact CD1-CZ 3.79Å; Y248-F358 HydrophobicContact CD1-CZ 3.79Å; Y248-F358 HydrophobicContact CD2-CE1 4.46Å; Y248-F358 HydrophobicContact CD2-CZ 4.03Å; Y248-F358 HydrophobicContact CE1-CZ 4.42Å; Y248-F358 HydrophobicContact CG-CE1 4.18Å; Y248-F358 AromaticContact CG-CZ 3.57Å; Y248-F358 HydrophobicContact CG-CZ 3.57Å; M327-F358 HydrophobicContact CE-CE2 4.34Å; L332-F358 HydrophobicContact CB-CD2 4.02Å; L332-F358 HydrophobicContact CD1-CD2 4.09Å; L332-F358 HydrophobicContact CD1-CE2 4.02Å; L332-F358 WeakPolarHBondContact O-CA 3.22Å; L332-F358 PolarHBondContact O-N 3.17Å; N354-F358 PolarHBondContact O-N 3Å; N354-F358 VanDerWaalsContact O-N 3.09Å; D355-F358 PolarHBondContact O-N 3.14Å; F356-F358 VanDerWaalsContact C-N 3.34Å; F356-F358 PolarHBondContact O-N 3.05Å; F358-L360 VanDerWaalsContact C-N 3.32Å; F358-L360 PolarHBondContact O-N 2.83Å; F358-H361 WeakPolarHBondContact O-CB 3.23Å; F358-H361 PolarHBondContact O-N 2.97Å; F358-M362 HydrophobicContact CD2-CG 4.46Å; F358-M362 HydrophobicContact CE1-CG 4.09Å; F358-M362 HydrophobicContact CE2-CG 3.98Å; F358-M362 HydrophobicContact CE2-SD 4.01Å; F358-M362 HydrophobicContact CZ-CG 3.76Å; F358-M362 HydrophobicContact CZ-SD 3.88Å; F358-M362 WeakPolarHBondContact O-CG 3.42Å; F358-M362 PolarHBondContact O-N 3.2Å
359M92Very high89.7Confident1 Ų135.3 Ų35.31%0.00518%0.177CC..Hα-helixtrans-65.2-35.2-179.9-66.9-176.3-60.800112.3L138 F141 F234 V238 V244 D355 F356 M362 I363L138-M359 HydrophobicContact CD2-CG 4.17Å; L138-M359 HydrophobicContact CD2-SD 3.64Å; F141-M359 HydrophobicContact CB-CE 4.2Å; F141-M359 HydrophobicContact CB-SD 4.16Å; F141-M359 HydrophobicContact CD1-CB 3.81Å; F141-M359 HydrophobicContact CD1-CE 4.26Å; F141-M359 HydrophobicContact CD1-CG 4.36Å; F141-M359 HydrophobicContact CD1-SD 3.87Å; F141-M359 HydrophobicContact CD2-CE 4.33Å; F141-M359 HydrophobicContact CE1-CB 3.39Å; F141-M359 HydrophobicContact CE1-CG 4.39Å; F141-M359 HydrophobicContact CE1-SD 4.44Å; F141-M359 HydrophobicContact CG-CE 4.02Å; F141-M359 HydrophobicContact CG-SD 4.1Å; F141-M359 HydrophobicContact CZ-CB 3.87Å; F234-M359 HydrophobicContact CZ-CE 4.49Å; V238-M359 HydrophobicContact CG1-CE 3.56Å; V244-M359 HydrophobicContact CG1-CG 4.4Å; D355-M359 VanDerWaalsContact O-CG 3.28Å; D355-M359 WeakPolarHBondContact O-CG 3.33Å; D355-M359 PolarHBondContact O-N 2.81Å; F356-M359 HydrophobicContact CD2-CE 4.17Å; F356-M359 PolarHBondContact O-N 3.46Å; M359-M362 PolarHBondContact O-N 3.29Å; M359-I363 PolarHBondContact O-N 3.2Å; M359-I363 VanDerWaalsContact O-N 3.16Å
360L91.3Very high89.9Confident0 Ų036.7 Ų36.70%018%0.182CC..Hα-helixtrans-69.2-40.2173-79.4168.8000112.8F141 Y335 F337 L352 F356 A357 F358 M362 I363 D364 F374F141-L360 HydrophobicContact CE2-CD2 4.34Å; F141-L360 HydrophobicContact CE2-CG 4.4Å; F141-L360 HydrophobicContact CZ-CD2 3.95Å; F141-L360 HydrophobicContact CZ-CG 4.02Å; Y335-L360 HydrophobicContact CD2-CB 4.09Å; Y335-L360 HydrophobicContact CE2-CB 4.24Å; Y335-L360 HydrophobicContact CG-CB 4.32Å; F337-L360 HydrophobicContact CZ-CD1 3.99Å; L352-L360 HydrophobicContact CD1-CD1 3.12Å; F356-L360 HydrophobicContact CD1-CD1 4.47Å; F356-L360 HydrophobicContact CE1-CD1 4.23Å; F356-L360 HydrophobicContact CZ-CD1 4.47Å; F356-L360 PolarHBondContact O-N 2.91Å; F356-L360 VanDerWaalsContact O-N 3.14Å; A357-L360 PolarHBondContact O-N 3.01Å; F358-L360 VanDerWaalsContact C-N 3.32Å; F358-L360 PolarHBondContact O-N 2.83Å; L360-M362 PolarHBondContact O-N 3.44Å; L360-I363 PolarHBondContact O-N 3.15Å; L360-D364 WeakPolarHBondContact O-CB 3.35Å; L360-D364 PolarHBondContact O-N 3.13Å; L360-F374 HydrophobicContact CD2-CD1 4.28Å
361H90.7Very high89.8Confident28 Ų2835.3 Ų35.313%0.1317%0.173CC..Hα-helixtrans-56.1-38.9170.9-84.7-62.2000111.7L332 R334 Y335 A357 F358 D364 Q365L332-H361 HydrophobicContact CD2-CB 4.14Å; R334-H361 PolarHBondContact O-NE2 3.2Å; Y335-H361 HydrophobicContact CD2-CB 4.42Å; Y335-H361 AromaticContact CD2-CD2 3.62Å; Y335-H361 AromaticContact CD2-CE1 3.39Å; Y335-H361 WeakPolarHBondContact CD2-CE1 3.41Å; Y335-H361 AromaticContact CD2-CG 3.62Å; Y335-H361 AromaticContact CD2-ND1 3.52Å; Y335-H361 AromaticContact CD2-NE2 3.47Å; Y335-H361 WeakPolarHBondContact CD2-NE2 3.37Å; Y335-H361 AromaticContact CE2-CE1 3.98Å; Y335-H361 AromaticContact CE2-ND1 3.84Å; A357-H361 PolarHBondContact O-CD2 3.16Å; A357-H361 PolarHBondContact O-N 3.06Å; F358-H361 WeakPolarHBondContact O-CB 3.23Å; F358-H361 PolarHBondContact O-N 2.97Å; H361-D364 PolarHBondContact O-N 3.21Å; H361-Q365 WeakPolarHBondContact O-CG 3.43Å; H361-Q365 PolarHBondContact O-N 3.38Å
362M90.1Very high89.8Confident1 Ų134.5 Ų34.51%0.00517%0.166CC..Hα-helixtrans-66.4-40.9178.1-68.7-66.4-70.200112.5P22 Y248 W326 F358 M359 L360 Q365P22-M362 HydrophobicContact CG-CE 3.57Å; P22-M362 HydrophobicContact CG-SD 4.28Å; Y248-M362 HydrophobicContact CE2-CE 3.76Å; W326-M362 HydrophobicContact CH2-SD 4.18Å; W326-M362 HydrophobicContact CZ3-SD 4.21Å; F358-M362 HydrophobicContact CD2-CG 4.46Å; F358-M362 HydrophobicContact CE1-CG 4.09Å; F358-M362 HydrophobicContact CE2-CG 3.98Å; F358-M362 HydrophobicContact CE2-SD 4.01Å; F358-M362 HydrophobicContact CZ-CG 3.76Å; F358-M362 HydrophobicContact CZ-SD 3.88Å; F358-M362 WeakPolarHBondContact O-CG 3.42Å; F358-M362 PolarHBondContact O-N 3.2Å; M359-M362 PolarHBondContact O-N 3.29Å; L360-M362 PolarHBondContact O-N 3.44Å; M362-Q365 PolarHBondContact O-N 2.52Å
363I91.3Very high89.8Confident0 Ų037.5 Ų37.50%018%0.177CC..Hα-helixtrans-70.8-37.1177-68.4164.9000111.7I19 L20 F141 L145 M359 L360 Q365 Y366 D367 Y370I19-I363 HydrophobicContact CG2-CG1 4.3Å; I19-I363 HydrophobicContact CG2-CG2 4.35Å; L20-I363 HydrophobicContact CD2-CD1 4.37Å; L20-I363 HydrophobicContact CD2-CG1 3.99Å; F141-I363 HydrophobicContact CD1-CD1 4.14Å; F141-I363 HydrophobicContact CE1-CD1 3.06Å; F141-I363 HydrophobicContact CE1-CG1 4.13Å; F141-I363 HydrophobicContact CE2-CD1 4.43Å; F141-I363 HydrophobicContact CZ-CD1 3.26Å; L145-I363 HydrophobicContact CD1-CD1 4.11Å; L145-I363 HydrophobicContact CD2-CD1 3.42Å; L145-I363 VanDerWaalsContact CD2-CD1 3.42Å; L145-I363 HydrophobicContact CD2-CG1 4.29Å; L145-I363 HydrophobicContact CD2-CG2 4.39Å; L145-I363 HydrophobicContact CG-CD1 4.35Å; M359-I363 PolarHBondContact O-N 3.2Å; M359-I363 VanDerWaalsContact O-N 3.16Å; L360-I363 PolarHBondContact O-N 3.15Å; I363-Q365 PolarHBondContact O-N 3.09Å; I363-Y366 CarbonylContact O-C 3.59Å; I363-Y366 WeakPolarHBondContact O-CA 3.39Å; I363-Y366 VanDerWaalsContact O-CB 3.3Å; I363-Y366 WeakPolarHBondContact O-CB 3.49Å; I363-Y366 PolarHBondContact O-N 3.26Å; I363-D367 PolarHBondContact O-N 3.2Å; I363-Y370 VanDerWaalsContact CG2-CB 3.46Å; I363-Y370 HydrophobicContact CG2-CD2 4.2Å; I363-Y370 HydrophobicContact CG2-CG 4.02Å
364D90.1Very high89.9Confident47 Ų4731.9 Ų31.925%0.25115%0.153SC..Hα-helixtrans-60.9-29.5179.5-162.173.7000111.8Y335 L360 H361 Y366 S371Y335-D364 HydrophobicContact CE2-CB 4.35Å; Y335-D364 PolarHBondContact OH-OD1 3.48Å; L360-D364 WeakPolarHBondContact O-CB 3.35Å; L360-D364 PolarHBondContact O-N 3.13Å; H361-D364 PolarHBondContact O-N 3.21Å; D364-Y366 VanDerWaalsContact C-N 3.32Å; D364-S371 PolarHBondContact OD1-OG 3.5Å
365Q90.1Very high89.8Confident61 Ų6129.4 Ų29.429%0.28514%0.14SC..THydrogen-bonded Turntrans-76.3-16.7171.8-60.7-59.8-70.700113.9P22 W24 W326 H361 M362 I363P22-Q365 HydrophobicContact CB-CB 4.32Å; P22-Q365 HydrophobicContact CG-CB 4.45Å; W24-Q365 HydrophobicContact CH2-CB 4.2Å; W24-Q365 HydrophobicContact CH2-CG 3.98Å; W326-Q365 HydrophobicContact CH2-CG 4.46Å; W326-Q365 HydrophobicContact CZ2-CG 3.88Å; H361-Q365 WeakPolarHBondContact O-CG 3.43Å; H361-Q365 PolarHBondContact O-N 3.38Å; M362-Q365 PolarHBondContact O-N 2.52Å; I363-Q365 PolarHBondContact O-N 3.09Å
366Y89.8Confident89.7Confident115 Ų11529.5 Ų29.545%0.45114%0.141SC..THydrogen-bonded Turntrans-87.2-58.6173.5178.7-94.6000110.7I19 I363 D364 Y370I19-Y366 HydrophobicContact CB-CD1 4.48Å; I19-Y366 HydrophobicContact CB-CE1 4.46Å; I19-Y366 HydrophobicContact CG1-CE1 4.38Å; I19-Y366 HydrophobicContact CG2-CD1 3.89Å; I19-Y366 HydrophobicContact CG2-CE1 4.17Å; I19-Y366 HydrophobicContact CG2-CG 4.49Å; I19-Y366 WeakPolarHBondContact O-CB 3.4Å; I363-Y366 CarbonylContact O-C 3.59Å; I363-Y366 WeakPolarHBondContact O-CA 3.39Å; I363-Y366 VanDerWaalsContact O-CB 3.3Å; I363-Y366 WeakPolarHBondContact O-CB 3.49Å; I363-Y366 PolarHBondContact O-N 3.26Å; D364-Y366 VanDerWaalsContact C-N 3.32Å; Y366-Y370 HydrophobicContact CD1-CE2 4.23Å; Y366-Y370 HydrophobicContact CE1-CE2 4.1Å
367D89.2Confident89.6Confident47 Ų4729.6 Ų29.625%0.25114%0.141SC..  trans-158.4120.5175.7-179.5-5.2000110.8I363 L369 Y370I363-D367 PolarHBondContact O-N 3.2Å; D367-L369 PolarHBondContact O-N 3.07Å; D367-L369 WeakPolarHBondContact OD1-CB 3.47Å; D367-L369 WeakPolarHBondContact OD1-CG 3.33Å; D367-L369 PolarHBondContact OD1-N 3.3Å; D367-Y370 HydrophobicContact CB-CD2 3.95Å; D367-Y370 HydrophobicContact CB-CE2 4.2Å; D367-Y370 PolarHBondContact O-N 3.2Å
368P86.4Confident89.5Confident65 Ų6530.4 Ų30.442%0.42215%0.145SC..Hα-helixtrans-67.3-13.3179.829.4-36.8000113.9Y370 S371 K372P368-Y370 PolarHBondContact O-N 3.39Å; P368-S371 PolarHBondContact O-N 3.25Å; P368-S371 PolarHBondContact O-OG 3.34Å; P368-K372 WeakPolarHBondContact O-CG 3.4Å; P368-K372 PolarHBondContact O-N 2.85Å
369L87.4Confident89.4Confident91 Ų9130.5 Ų30.548%0.47615%0.146SC..Hα-helixtrans-63.6-31.2177-68.7173.8000112.6D367 K372 R373D367-L369 PolarHBondContact O-N 3.07Å; D367-L369 WeakPolarHBondContact OD1-CB 3.47Å; D367-L369 WeakPolarHBondContact OD1-CG 3.33Å; D367-L369 PolarHBondContact OD1-N 3.3Å; L369-K372 PolarHBondContact O-N 3.5Å; L369-R373 PolarHBondContact O-N 3.42Å
370Y89.6Confident89.1Confident31 Ų3136.6 Ų36.612%0.12217%0.174CC..Hα-helixtrans-66.6-44.2176.3-76.4-79000111.8I19 L145 F149 I363 Y366 D367 P368 K372 F374I19-Y370 HydrophobicContact CG2-CD2 4.44Å; I19-Y370 HydrophobicContact CG2-CE2 4.26Å; L145-Y370 HydrophobicContact CD1-CD1 4.32Å; L145-Y370 HydrophobicContact CD2-CD1 3.69Å; L145-Y370 HydrophobicContact CD2-CE1 4.24Å; L145-Y370 HydrophobicContact CD2-CG 4.17Å; L145-Y370 HydrophobicContact CG-CD1 3.79Å; F149-Y370 HydrophobicContact CB-CD1 4.2Å; F149-Y370 HydrophobicContact CB-CE1 4.03Å; F149-Y370 HydrophobicContact CD1-CE1 4.47Å; F149-Y370 AromaticContact CD2-CD1 3.69Å; F149-Y370 HydrophobicContact CD2-CD1 3.69Å; F149-Y370 AromaticContact CD2-CE1 3.64Å; F149-Y370 HydrophobicContact CD2-CE1 3.64Å; F149-Y370 HydrophobicContact CD2-CG 4.36Å; F149-Y370 HydrophobicContact CE2-CD1 4.41Å; F149-Y370 HydrophobicContact CE2-CE1 4.23Å; F149-Y370 HydrophobicContact CG-CD1 4.14Å; F149-Y370 AromaticContact CG-CE1 3.79Å; F149-Y370 HydrophobicContact CG-CE1 3.79Å; I363-Y370 VanDerWaalsContact CG2-CB 3.46Å; I363-Y370 HydrophobicContact CG2-CD2 4.2Å; I363-Y370 HydrophobicContact CG2-CG 4.02Å; Y366-Y370 HydrophobicContact CD1-CE2 4.23Å; Y366-Y370 HydrophobicContact CE1-CE2 4.1Å; D367-Y370 HydrophobicContact CB-CD2 3.95Å; D367-Y370 HydrophobicContact CB-CE2 4.2Å; D367-Y370 PolarHBondContact O-N 3.2Å; P368-Y370 PolarHBondContact O-N 3.39Å; Y370-K372 VanDerWaalsContact C-N 3.34Å; Y370-F374 WeakPolarHBondContact O-CB 3.37Å; Y370-F374 PolarHBondContact O-N 2.86Å
371S87.3Confident88.8Confident3 Ų339.8 Ų39.82%0.02119%0.193CC..Hα-helixtrans-65.5-39.4176.855.10000110.7Y335 D364 P368 F374 A375Y335-S371 WeakPolarHBondContact OH-CB 3.35Å; D364-S371 PolarHBondContact OD1-OG 3.5Å; P368-S371 PolarHBondContact O-N 3.25Å; P368-S371 PolarHBondContact O-OG 3.34Å; S371-F374 PolarHBondContact O-N 2.56Å; S371-A375 WeakPolarHBondContact O-CB 3.37Å; S371-A375 PolarHBondContact O-N 3.36Å
372K86.3Confident88.6Confident62 Ų6238.4 Ų38.427%0.2719%0.187SC..Hα-helixtrans-59.2-52174-70.4-167.1-176.3-1610114I340 E343 P368 L369 Y370 F374 A375I340-K372 HydrophobicContact CD1-CB 4.44Å; I340-K372 HydrophobicContact CD1-CG 4.04Å; I340-K372 HydrophobicContact CG1-CG 4.39Å; E343-K372 IonicContact OE1-NZ 3.6Å; E343-K372 PolarHBondContact OE1-NZ 3.46Å; E343-K372 WeakPolarHBondContact OE2-CE 3.28Å; E343-K372 IonicContact OE2-NZ 2.56Å; E343-K372 PolarHBondContact OE2-NZ 2.99Å; P368-K372 WeakPolarHBondContact O-CG 3.4Å; P368-K372 PolarHBondContact O-N 2.85Å; L369-K372 PolarHBondContact O-N 3.5Å; Y370-K372 VanDerWaalsContact C-N 3.34Å; K372-F374 VanDerWaalsContact C-N 3.34Å; K372-F374 PolarHBondContact O-N 2.87Å; K372-A375 PolarHBondContact O-N 3.25Å
373R89.1Confident88.6Confident64 Ų6439.1 Ų39.124%0.24219%0.191CC..Hα-helixtrans-68.2-34.7178.8-72.2-170.5178.5-170.50.7112.7F149 T154 L158 L369F149-R373 PolarHBondContact O-NH1 2.99Å; T154-R373 HydrophobicContact CG2-CB 4.41Å; L158-R373 HydrophobicContact CD1-CG 3.9Å; L369-R373 PolarHBondContact O-N 3.42Å
374F90.8Very high88.3Confident1 Ų143.5 Ų43.50%0.00421%0.214CC..Hα-helixtrans-67.6-37.7178.9-170.7-93.8000112.4I144 L145 C148 V231 F356 L360 Y370 S371 K372 V376 F377 L378I144-F374 HydrophobicContact CG2-CE2 3.93Å; L145-F374 HydrophobicContact CD1-CB 4.31Å; L145-F374 HydrophobicContact CD1-CD2 3.99Å; L145-F374 HydrophobicContact CD1-CG 4.34Å; C148-F374 HydrophobicContact CB-CD2 4.17Å; V231-F374 HydrophobicContact CG1-CZ 3.88Å; V231-F374 HydrophobicContact CG2-CE2 4.18Å; V231-F374 HydrophobicContact CG2-CZ 4.32Å; F356-F374 HydrophobicContact CE1-CE1 4.12Å; F356-F374 HydrophobicContact CE2-CE1 4.39Å; F356-F374 HydrophobicContact CE2-CZ 4.19Å; F356-F374 AromaticContact CZ-CE1 3.47Å; F356-F374 HydrophobicContact CZ-CE1 3.47Å; F356-F374 VanDerWaalsContact CZ-CE1 3.47Å; F356-F374 AromaticContact CZ-CZ 3.54Å; F356-F374 HydrophobicContact CZ-CZ 3.54Å; L360-F374 HydrophobicContact CD2-CD1 4.28Å; Y370-F374 WeakPolarHBondContact O-CB 3.37Å; Y370-F374 PolarHBondContact O-N 2.86Å; S371-F374 PolarHBondContact O-N 2.56Å; K372-F374 VanDerWaalsContact C-N 3.34Å; K372-F374 PolarHBondContact O-N 2.87Å; F374-V376 VanDerWaalsContact C-N 3.25Å; F374-V376 PolarHBondContact O-N 3.25Å; F374-F377 PolarHBondContact O-N 3.25Å; F374-F377 VanDerWaalsContact O-N 3.07Å; F374-L378 HydrophobicContact CD1-CD1 4.01Å; F374-L378 HydrophobicContact CD1-CG 4.36Å; F374-L378 HydrophobicContact CE1-CD1 3.8Å; F374-L378 HydrophobicContact CE1-CD2 4.2Å; F374-L378 HydrophobicContact CE1-CG 3.98Å
375A88.4Confident88Confident0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-56.8-35.2179.800000113.7F337 I340 I349 S371 K372 F377 L378F337-A375 HydrophobicContact CD1-CB 3.94Å; F337-A375 HydrophobicContact CE1-CB 3.9Å; F337-A375 HydrophobicContact CG-CB 4.49Å; F337-A375 HydrophobicContact CZ-CB 4.46Å; I340-A375 HydrophobicContact CD1-CB 3.73Å; I340-A375 HydrophobicContact CG2-CB 4.3Å; I349-A375 HydrophobicContact CD1-CB 4.1Å; I349-A375 HydrophobicContact CG2-CB 4.48Å; S371-A375 WeakPolarHBondContact O-CB 3.37Å; S371-A375 PolarHBondContact O-N 3.36Å; K372-A375 PolarHBondContact O-N 3.25Å; A375-F377 VanDerWaalsContact C-N 3.25Å; A375-F377 PolarHBondContact O-N 3.2Å; A375-L378 WeakPolarHBondContact O-CB 3.32Å; A375-L378 PolarHBondContact O-N 3.01Å
376V88.6Confident87.9Confident3 Ų342.1 Ų42.12%0.01821%0.205CC..Hα-helixtrans-56.3-40176.2178.50000111.7A157 L158 F374 L378 S379 S382A157-V376 HydrophobicContact CB-CG1 3.58Å; L158-V376 HydrophobicContact CD1-CG2 4.46Å; L158-V376 HydrophobicContact CD2-CG2 3.78Å; L158-V376 HydrophobicContact CG-CG2 3.88Å; F374-V376 VanDerWaalsContact C-N 3.25Å; F374-V376 PolarHBondContact O-N 3.25Å; V376-L378 PolarHBondContact O-N 3.17Å; V376-S379 PolarHBondContact O-N 2.92Å; V376-S382 VanDerWaalsContact CG1-OG 3.25Å; V376-S382 WeakPolarHBondContact CG1-OG 3.43Å; V376-S382 WeakPolarHBondContact O-CB 3.24Å
377F89.8Confident87.7Confident1 Ų141.8 Ų41.80%0.00420%0.203CC..THydrogen-bonded Turntrans-76-5.1179.9-73.7-74000114.4C148 W153 T154 A224 L227 F228 V231 F374 A375C148-F377 HydrophobicContact CB-CD2 3.72Å; C148-F377 HydrophobicContact CB-CE2 3.67Å; C148-F377 VanDerWaalsContact SG-CD2 3.53Å; W153-F377 AromaticContact CD1-CE1 3.98Å; T154-F377 HydrophobicContact CG2-CD2 3.72Å; T154-F377 HydrophobicContact CG2-CE2 3.03Å; T154-F377 HydrophobicContact CG2-CZ 3.69Å; A224-F377 HydrophobicContact CB-CE1 4.38Å; L227-F377 HydrophobicContact CB-CD1 4.35Å; L227-F377 HydrophobicContact CB-CE1 3.97Å; L227-F377 HydrophobicContact CB-CZ 4.41Å; L227-F377 HydrophobicContact CD1-CE1 4.41Å; L227-F377 HydrophobicContact CD1-CZ 4.08Å; F228-F377 HydrophobicContact CD1-CB 4.49Å; F228-F377 HydrophobicContact CD1-CD1 4.13Å; F228-F377 VanDerWaalsContact CD1-O 3.28Å; F228-F377 WeakPolarHBondContact CD1-O 3.39Å; F228-F377 AromaticContact CD2-CD1 3.76Å; F228-F377 HydrophobicContact CD2-CD1 3.76Å; F228-F377 HydrophobicContact CD2-CE1 4.06Å; F228-F377 VanDerWaalsContact CE1-CA 3.47Å; F228-F377 HydrophobicContact CE1-CB 4.33Å; F228-F377 HydrophobicContact CE1-CD1 4.03Å; F228-F377 WeakPolarHBondContact CE1-O 3.35Å; F228-F377 AromaticContact CE2-CD1 3.6Å; F228-F377 HydrophobicContact CE2-CD1 3.6Å; F228-F377 AromaticContact CE2-CE1 3.83Å; F228-F377 HydrophobicContact CE2-CE1 3.83Å; F228-F377 HydrophobicContact CG-CD1 4.01Å; F228-F377 AromaticContact CZ-CD1 3.75Å; F228-F377 HydrophobicContact CZ-CD1 3.75Å; F228-F377 HydrophobicContact CZ-CE1 4.34Å; V231-F377 HydrophobicContact CG2-CB 4.24Å; F374-F377 PolarHBondContact O-N 3.25Å; F374-F377 VanDerWaalsContact O-N 3.07Å; A375-F377 VanDerWaalsContact C-N 3.25Å; A375-F377 PolarHBondContact O-N 3.2Å
378L88.9Confident87.5Confident18 Ų1842.1 Ų42.19%0.09420%0.203CC..THydrogen-bonded Turntrans-96.9-9.6173.3-65.9172000112.8V231 F337 I349 P350 L352 F374 A375 V376V231-L378 HydrophobicContact CG1-CD2 3.65Å; V231-L378 HydrophobicContact CG1-CG 4.42Å; F337-L378 HydrophobicContact CE2-CD1 3.63Å; F337-L378 HydrophobicContact CZ-CD1 3.79Å; I349-L378 HydrophobicContact CG2-CB 4.36Å; P350-L378 WeakPolarHBondContact CD-O 3.46Å; P350-L378 HydrophobicContact CG-CB 4.36Å; L352-L378 HydrophobicContact CD1-CD1 4.02Å; L352-L378 HydrophobicContact CD2-CD1 4.28Å; F374-L378 HydrophobicContact CD1-CD1 4.01Å; F374-L378 HydrophobicContact CD1-CG 4.36Å; F374-L378 HydrophobicContact CE1-CD1 3.8Å; F374-L378 HydrophobicContact CE1-CD2 4.2Å; F374-L378 HydrophobicContact CE1-CG 3.98Å; A375-L378 WeakPolarHBondContact O-CB 3.32Å; A375-L378 PolarHBondContact O-N 3.01Å; V376-L378 PolarHBondContact O-N 3.17Å
379S89.4Confident87.4Confident1 Ų141 Ų411%0.00719%0.193CC..  trans-84.9129.6179.61710000111.2Y346 D348 V376 V381 S382 E383Y346-S379 WeakPolarHBondContact CD1-OG 3.28Å; D348-S379 WeakPolarHBondContact OD1-CB 3.29Å; D348-S379 PolarHBondContact OD1-OG 2.74Å; D348-S379 WeakPolarHBondContact OD2-CA 3.41Å; D348-S379 PolarHBondContact OD2-OG 3.02Å; V376-S379 PolarHBondContact O-N 2.92Å; S379-V381 PolarHBondContact OG-N 3.24Å; S379-S382 PolarHBondContact OG-N 3.47Å; S379-S382 VanDerWaalsContact OG-N 3.11Å; S379-E383 PolarHBondContact O-N 3.19Å
380E86.1Confident87.4Confident129 Ų12937.3 Ų37.360%0.60317%0.174SC*.Hα-helixtrans-72.7-33.4172.2-65.7-173.4170.800110.9D348 E383 N384D348-E380 PolarHBondContact OD2-N 2.98Å; E380-E383 PolarHBondContact O-N 2.84Å; E380-N384 VanDerWaalsContact O-CG 3.32Å; E380-N384 PolarHBondContact O-N 3.37Å; E380-N384 PolarHBondContact O-ND2 2.64Å
381V85.4Confident87.3Confident67 Ų6736.3 Ų36.341%0.40617%0.171SC..Hα-helixtrans-61.9-44.5174.4176.10000110.6Y346 D348 S379 E383 N384 K385Y346-V381 HydrophobicContact CD1-CB 4.3Å; Y346-V381 HydrophobicContact CD1-CG1 4.31Å; Y346-V381 HydrophobicContact CE1-CG1 4.22Å; D348-V381 HydrophobicContact CB-CG2 4.28Å; D348-V381 PolarHBondContact OD2-N 3.38Å; S379-V381 PolarHBondContact OG-N 3.24Å; V381-E383 PolarHBondContact O-N 3.37Å; V381-N384 PolarHBondContact O-N 2.91Å; V381-K385 PolarHBondContact O-N 3Å
382S87.5Confident87.3Confident0 Ų037.5 Ų37.50%018%0.177CC..Hα-helixtrans-62.2-41.9175.2-171.70000111.9W153 V376 S379 N384 K385 L386W153-S382 WeakPolarHBondContact CZ2-O 3.28Å; W153-S382 PolarHBondContact NE1-OG 3.41Å; V376-S382 VanDerWaalsContact CG1-OG 3.25Å; V376-S382 WeakPolarHBondContact CG1-OG 3.43Å; V376-S382 WeakPolarHBondContact O-CB 3.24Å; S379-S382 PolarHBondContact OG-N 3.47Å; S379-S382 VanDerWaalsContact OG-N 3.11Å; S382-N384 PolarHBondContact O-N 2.78Å; S382-K385 PolarHBondContact O-N 3.21Å; S382-L386 PolarHBondContact O-N 2.91Å
383E88.6Confident87.3Confident16 Ų1636.9 Ų36.98%0.07518%0.176CC..Hα-helixtrans-62.5-41.4176.5-172-177.4173.200112.2F228 K232 S379 E380 V381 L386 R387F228-E383 HydrophobicContact CD1-CB 3.96Å; F228-E383 HydrophobicContact CD1-CG 4.18Å; F228-E383 HydrophobicContact CD2-CG 4.49Å; F228-E383 HydrophobicContact CE1-CB 3.81Å; F228-E383 HydrophobicContact CE1-CG 4.48Å; F228-E383 HydrophobicContact CG-CB 4.4Å; F228-E383 HydrophobicContact CG-CG 4.19Å; F228-E383 HydrophobicContact CZ-CB 4.17Å; K232-E383 VanDerWaalsContact CE-OE2 3.22Å; K232-E383 WeakPolarHBondContact CE-OE2 3.02Å; K232-E383 IonicContact NZ-OE1 3.69Å; K232-E383 IonicContact NZ-OE2 3.79Å; K232-E383 PolarHBondContact NZ-OE2 2.8Å; S379-E383 PolarHBondContact O-N 3.19Å; E380-E383 PolarHBondContact O-N 2.84Å; V381-E383 PolarHBondContact O-N 3.37Å; E383-L386 WeakPolarHBondContact O-CB 3.48Å; E383-L386 PolarHBondContact O-N 3.47Å; E383-R387 WeakPolarHBondContact O-CG 3.4Å; E383-R387 PolarHBondContact O-N 3.31Å; E383-R387 IonicContact OE1-CZ 2.81Å; E383-R387 IonicContact OE1-NE 2.82Å; E383-R387 PolarHBondContact OE1-NE 3.47Å; E383-R387 IonicContact OE1-NH2 3.94Å; E383-R387 PolarHBondContact OE1-NH2 3.28Å
384N84.6Confident87.1Confident91 Ų9137.2 Ų37.249%0.48718%0.18SC..Hα-helixtrans-65.1-41.3177.1-72.1-23000111.7E380 V381 S382 L386 R387 Q388E380-N384 VanDerWaalsContact O-CG 3.32Å; E380-N384 PolarHBondContact O-N 3.37Å; E380-N384 PolarHBondContact O-ND2 2.64Å; V381-N384 PolarHBondContact O-N 2.91Å; S382-N384 PolarHBondContact O-N 2.78Å; N384-L386 VanDerWaalsContact C-N 3.34Å; N384-L386 PolarHBondContact O-N 3.26Å; N384-R387 PolarHBondContact O-N 2.97Å; N384-Q388 PolarHBondContact O-N 2.98Å
385K84.5Confident87Confident78 Ų7838.7 Ų38.734%0.33919%0.186SC..Hα-helixtrans-58.9-44.1172.1-75.5-173.9174.3-171.80111.8W153 V381 S382 Q388 L389W153-K385 HydrophobicContact CH2-CB 4.21Å; W153-K385 HydrophobicContact CZ2-CB 4.39Å; V381-K385 PolarHBondContact O-N 3Å; S382-K385 PolarHBondContact O-N 3.21Å; K385-Q388 PolarHBondContact O-N 3Å; K385-L389 PolarHBondContact O-N 3.44Å
386L88.2Confident87.1Confident2 Ų241.4 Ų41.41%0.0120%0.203CC..Hα-helixtrans-62.4-43.9176.3179.564.1000111.8W153 L216 A224 K225 F228 S382 E383 N384 Q388 L389 N390W153-L386 HydrophobicContact CD2-CD1 3.88Å; W153-L386 HydrophobicContact CE3-CD1 3.76Å; W153-L386 HydrophobicContact CH2-CB 3.9Å; W153-L386 HydrophobicContact CH2-CD1 4.23Å; W153-L386 HydrophobicContact CZ2-CB 3.61Å; W153-L386 HydrophobicContact CZ2-CD1 4.36Å; W153-L386 HydrophobicContact CZ3-CB 4.47Å; W153-L386 HydrophobicContact CZ3-CD1 3.94Å; L216-L386 HydrophobicContact CD2-CD1 3.93Å; A224-L386 HydrophobicContact CB-CD1 4.23Å; A224-L386 HydrophobicContact CB-CD2 3.55Å; K225-L386 HydrophobicContact CB-CD2 4.38Å; F228-L386 HydrophobicContact CD2-CD2 3.78Å; F228-L386 HydrophobicContact CE2-CD2 3.63Å; S382-L386 PolarHBondContact O-N 2.91Å; E383-L386 WeakPolarHBondContact O-CB 3.48Å; E383-L386 PolarHBondContact O-N 3.47Å; N384-L386 VanDerWaalsContact C-N 3.34Å; N384-L386 PolarHBondContact O-N 3.26Å; L386-Q388 VanDerWaalsContact C-N 3.33Å; L386-Q388 PolarHBondContact O-N 3.33Å; L386-L389 PolarHBondContact O-N 3.5Å; L386-N390 WeakPolarHBondContact O-CB 3.09Å; L386-N390 PolarHBondContact O-N 3.43Å
387R86Confident87.1Confident108 Ų10844.7 Ų44.741%0.40822%0.22SC..Hα-helixtrans-60.8-42.2177.5-73.8174.2-178-165.61.3111.6E383 N384 N390 L391E383-R387 WeakPolarHBondContact O-CG 3.4Å; E383-R387 PolarHBondContact O-N 3.31Å; E383-R387 IonicContact OE1-CZ 2.81Å; E383-R387 IonicContact OE1-NE 2.82Å; E383-R387 PolarHBondContact OE1-NE 3.47Å; E383-R387 IonicContact OE1-NH2 3.94Å; E383-R387 PolarHBondContact OE1-NH2 3.28Å; N384-R387 PolarHBondContact O-N 2.97Å; R387-N390 PolarHBondContact O-N 3.26Å; R387-L391 VanDerWaalsContact O-CB 3.31Å; R387-L391 WeakPolarHBondContact O-CB 3.36Å; R387-L391 PolarHBondContact O-N 2.9Å
388Q84.9Confident87Confident54 Ų5451.7 Ų51.725%0.25225%0.253SS..Hα-helixtrans-63.1-45.4176.4-175.864.612.600111.7N384 K385 L386 L391 N392 I422 D424N384-Q388 PolarHBondContact O-N 2.98Å; K385-Q388 PolarHBondContact O-N 3Å; L386-Q388 VanDerWaalsContact C-N 3.33Å; L386-Q388 PolarHBondContact O-N 3.33Å; Q388-L391 WeakPolarHBondContact O-CB 3.12Å; Q388-L391 PolarHBondContact O-N 3.49Å; Q388-N392 VanDerWaalsContact O-CG 3.28Å; Q388-N392 PolarHBondContact O-N 3.02Å; Q388-I422 PolarHBondContact NE2-O 3.49Å; Q388-D424 PolarHBondContact NE2-OD1 3.33Å; Q388-D424 PolarHBondContact NE2-OD2 3.46Å; Q388-D424 VanDerWaalsContact NE2-OD2 3.07Å
389L84.9Confident87.1Confident42 Ų4255.6 Ų55.622%0.2227%0.269CS..Hα-helixtrans-63.5-42.9176.5-75.6167.3000112.5W153 K385 L386 L391 N392 N393W153-L389 HydrophobicContact CH2-CD1 3.74Å; W153-L389 HydrophobicContact CZ3-CD1 3.46Å; W153-L389 VanDerWaalsContact CZ3-CD1 3.46Å; K385-L389 PolarHBondContact O-N 3.44Å; L386-L389 PolarHBondContact O-N 3.5Å; L389-L391 VanDerWaalsContact C-N 3.3Å; L389-L391 PolarHBondContact O-N 3.5Å; L389-N392 PolarHBondContact O-N 2.91Å; L389-N393 PolarHBondContact O-N 3.38Å
390N86.8Confident87.2Confident13 Ų1355.5 Ų55.57%0.0727%0.268CS..Hα-helixtrans-61.3-42.7174.2-75.7-14.6000110.8G221 L386 R387 N392 N393 E394G221-N390 WeakPolarHBondContact CA-OD1 3.38Å; G221-N390 PolarHBondContact O-ND2 3.42Å; L386-N390 WeakPolarHBondContact O-CB 3.09Å; L386-N390 PolarHBondContact O-N 3.43Å; R387-N390 PolarHBondContact O-N 3.26Å; N390-N392 VanDerWaalsContact C-N 3.35Å; N390-N392 PolarHBondContact O-N 3.28Å; N390-N393 PolarHBondContact O-N 3.43Å; N390-E394 VanDerWaalsContact O-CG 3.32Å; N390-E394 WeakPolarHBondContact O-CG 3.47Å; N390-E394 PolarHBondContact O-N 3.01Å
391L87.9Confident87.5Confident10 Ų1056.2 Ų56.25%0.05227%0.266CS..Hα-helixtrans-58.8-46.2176.6-171.572.7000111.3R387 Q388 L389 N393 E394 W395 L419 G421 P423R387-L391 VanDerWaalsContact O-CB 3.31Å; R387-L391 WeakPolarHBondContact O-CB 3.36Å; R387-L391 PolarHBondContact O-N 2.9Å; Q388-L391 WeakPolarHBondContact O-CB 3.12Å; Q388-L391 PolarHBondContact O-N 3.49Å; L389-L391 VanDerWaalsContact C-N 3.3Å; L389-L391 PolarHBondContact O-N 3.5Å; L391-N393 PolarHBondContact O-N 3.33Å; L391-E394 PolarHBondContact O-N 3.23Å; L391-W395 VanDerWaalsContact CD1-CD1 3.46Å; L391-W395 WeakPolarHBondContact O-CB 3.39Å; L391-W395 VanDerWaalsContact O-CD1 3.3Å; L391-W395 PolarHBondContact O-N 3.11Å; L391-L419 HydrophobicContact CD1-CB 4.43Å; L391-L419 HydrophobicContact CD1-CD2 4.36Å; L391-G421 WeakPolarHBondContact CD2-O 3.45Å; L391-P423 HydrophobicContact CD1-CG 4.43Å; L391-P423 HydrophobicContact CD2-CB 4.3Å; L391-P423 HydrophobicContact CD2-CG 3.89Å; L391-P423 HydrophobicContact CG-CB 4.2Å; L391-P423 HydrophobicContact CG-CG 3.9Å
392N86.4Confident87.7Confident28 Ų2860.8 Ų60.815%0.1528%0.282CS..Hα-helixtrans-62-40.8176.9-67.8-16000112.5Q388 L389 N390 E394 P423 D424Q388-N392 VanDerWaalsContact O-CG 3.28Å; Q388-N392 PolarHBondContact O-N 3.02Å; L389-N392 PolarHBondContact O-N 2.91Å; N390-N392 VanDerWaalsContact C-N 3.35Å; N390-N392 PolarHBondContact O-N 3.28Å; N392-E394 VanDerWaalsContact C-N 3.35Å; N392-P423 WeakPolarHBondContact OD1-CA 3.29Å; N392-D424 PolarHBondContact ND2-OD2 3.16Å; N392-D424 PolarHBondContact OD1-N 3.04Å
393N85.8Confident87.9Confident49 Ų4967.6 Ų67.626%0.26231%0.308SS..Hα-helixtrans-66.8-34.3176.2-76.1-16.6000112.7L216 L389 N390 L391L216-N393 PolarHBondContact O-ND2 3.41Å; L216-N393 VanDerWaalsContact O-ND2 3.1Å; L389-N393 PolarHBondContact O-N 3.38Å; N390-N393 PolarHBondContact O-N 3.43Å; L391-N393 PolarHBondContact O-N 3.33Å
394E86.1Confident88.1Confident70 Ų7068.4 Ų68.433%0.32731%0.313SS..Hα-helixtrans-78-35.9179.3-69.2-153.8133.900113.2K218 N390 L391 N392 K399K218-E394 WeakPolarHBondContact CE-OE1 3.31Å; K218-E394 IonicContact NZ-OE1 2.73Å; K218-E394 PolarHBondContact NZ-OE1 3.35Å; N390-E394 VanDerWaalsContact O-CG 3.32Å; N390-E394 WeakPolarHBondContact O-CG 3.47Å; N390-E394 PolarHBondContact O-N 3.01Å; L391-E394 PolarHBondContact O-N 3.23Å; N392-E394 VanDerWaalsContact C-N 3.35Å; E394-K399 WeakPolarHBondContact O-CD 3.19Å; E394-K399 PolarHBondContact O-NZ 3.14Å
395W88.7Confident88.5Confident32 Ų3267.5 Ų67.512%0.12131%0.311CS..SBendtrans-101.775-176.4-70.494.8000111.2L391 L400 R403 L419 P423 T425L391-W395 VanDerWaalsContact CD1-CD1 3.46Å; L391-W395 WeakPolarHBondContact O-CB 3.39Å; L391-W395 VanDerWaalsContact O-CD1 3.3Å; L391-W395 PolarHBondContact O-N 3.11Å; W395-L400 HydrophobicContact CD2-CD2 4.49Å; W395-L400 HydrophobicContact CE3-CD2 3.66Å; W395-L400 HydrophobicContact CE3-CG 4.36Å; W395-L400 HydrophobicContact CZ3-CD2 4.27Å; W395-R403 VanDerWaalsContact CH2-CZ 3.48Å; W395-L419 HydrophobicContact CZ2-CD2 3.66Å; W395-P423 HydrophobicContact CB-CB 3.86Å; W395-P423 HydrophobicContact CB-CG 3.89Å; W395-P423 HydrophobicContact CG-CB 4.42Å; W395-P423 HydrophobicContact CG-CG 3.93Å; W395-T425 WeakPolarHBondContact O-CB 3.41Å; W395-T425 WeakPolarHBondContact O-CG2 3.33Å; W395-T425 PolarHBondContact O-OG1 3.21Å
396T89.5Confident88.8Confident58 Ų5871.1 Ų71.136%0.35633%0.326SS..  trans-72.5159.7173.462.80000111.9E398 K399 L400T396-E398 PolarHBondContact O-N 3.15Å; T396-K399 PolarHBondContact O-N 3.12Å; T396-K399 VanDerWaalsContact O-N 3.1Å; T396-L400 PolarHBondContact O-N 3.26Å; T396-L400 VanDerWaalsContact O-N 3.09Å
397L88.8Confident88.9Confident71 Ų7172.3 Ų72.337%0.37233%0.333SS..Hα-helixtrans-53.5-39.6178.5-65.7171.8000113.2L400 R401 T425 D428 L429L397-L400 PolarHBondContact O-N 3.02Å; L397-R401 WeakPolarHBondContact O-CB 3.43Å; L397-R401 WeakPolarHBondContact O-CG 3.36Å; L397-R401 PolarHBondContact O-N 3.14Å; L397-T425 WeakPolarHBondContact CD2-O 3.35Å; L397-D428 HydrophobicContact CD1-CB 4.43Å; L397-D428 HydrophobicContact CD2-CB 3.54Å; L397-L429 HydrophobicContact CD2-CD2 4.32Å
398E88.9Confident89Confident149 Ų14973.4 Ų73.470%0.69636%0.357SS*.Hα-helixtrans-62.5-44.4178.7-67.5175.8173.900112.2T396 L400 R401 Q402T396-E398 PolarHBondContact O-N 3.15Å; E398-L400 VanDerWaalsContact C-N 3.33Å; E398-R401 PolarHBondContact O-N 2.95Å; E398-Q402 WeakPolarHBondContact O-CG 3.3Å; E398-Q402 PolarHBondContact O-N 2.97Å; E398-Q402 VanDerWaalsContact O-N 3.17Å
399K90.6Very high89.2Confident99 Ų9976.4 Ų76.443%0.4337%0.371SS..Hα-helixtrans-66.6-37.3177.2-73.8-174.7-175.5172.60112.1E394 T396E394-K399 WeakPolarHBondContact O-CD 3.19Å; E394-K399 PolarHBondContact O-NZ 3.14Å; T396-K399 PolarHBondContact O-N 3.12Å; T396-K399 VanDerWaalsContact O-N 3.1Å
400L91.6Very high89.4Confident0 Ų082.1 Ų82.10%040%0.396CS..Hα-helixtrans-67.1-44176.8-68.1171000111W395 T396 L397 E398 Q402 R403 I404 L414 L416 T425 V426 L429W395-L400 HydrophobicContact CD2-CD2 4.49Å; W395-L400 HydrophobicContact CE3-CD2 3.66Å; W395-L400 HydrophobicContact CE3-CG 4.36Å; W395-L400 HydrophobicContact CZ3-CD2 4.27Å; T396-L400 PolarHBondContact O-N 3.26Å; T396-L400 VanDerWaalsContact O-N 3.09Å; L397-L400 PolarHBondContact O-N 3.02Å; E398-L400 VanDerWaalsContact C-N 3.33Å; L400-Q402 VanDerWaalsContact C-N 3.27Å; L400-Q402 PolarHBondContact O-N 3.31Å; L400-R403 WeakPolarHBondContact O-CA 3.47Å; L400-R403 PolarHBondContact O-N 3.18Å; L400-I404 PolarHBondContact O-N 3.2Å; L400-L414 HydrophobicContact CD2-CD1 4.49Å; L400-L414 HydrophobicContact CD2-CD2 4.37Å; L400-L416 HydrophobicContact CD2-CD2 4.17Å; L400-T425 WeakPolarHBondContact CD1-OG1 3.38Å; L400-V426 HydrophobicContact CD1-CB 4.46Å; L400-V426 HydrophobicContact CD1-CG2 3.75Å; L400-V426 HydrophobicContact CD2-CG2 4.01Å; L400-L429 HydrophobicContact CB-CD1 3.85Å; L400-L429 HydrophobicContact CD1-CD1 4.22Å
401R91.3Very high89.6Confident144 Ų14483.5 Ų83.554%0.54340%0.402SS..Hα-helixtrans-58.1-36.8176.1-80.6-175.9166.8165.22.3113.3L397 E398 R403 I404 L429 E431L397-R401 WeakPolarHBondContact O-CB 3.43Å; L397-R401 WeakPolarHBondContact O-CG 3.36Å; L397-R401 PolarHBondContact O-N 3.14Å; E398-R401 PolarHBondContact O-N 2.95Å; R401-R403 PolarHBondContact O-N 2.84Å; R401-I404 HydrophobicContact CG-CD1 4.24Å; R401-I404 PolarHBondContact O-N 2.92Å; R401-L429 HydrophobicContact CG-CD2 3.88Å; R401-E431 IonicContact CZ-OE1 3.21Å; R401-E431 IonicContact NE-OE1 2.8Å; R401-E431 PolarHBondContact NE-OE1 2.86Å; R401-E431 VanDerWaalsContact NE-OE1 3.16Å; R401-E431 IonicContact NH2-OE1 2.8Å; R401-E431 IonicContact NH2-OE2 2.65Å
402Q90.6Very high89.9Confident163 Ų16385.3 Ų85.376%0.76241%0.411SS*.THydrogen-bonded Turntrans-64.6-20.2174.6-721750.900113.8E398 L400E398-Q402 WeakPolarHBondContact O-CG 3.3Å; E398-Q402 PolarHBondContact O-N 2.97Å; E398-Q402 VanDerWaalsContact O-N 3.17Å; L400-Q402 VanDerWaalsContact C-N 3.27Å; L400-Q402 PolarHBondContact O-N 3.31Å
403R91Very high90.2Very high143 Ų14385.3 Ų85.354%0.5441%0.41SS..THydrogen-bonded Turntrans-101.2-0.2179.4-66.1-164178.6-154.3-0.2113.9W395 L400 R401 T405 L414W395-R403 VanDerWaalsContact CH2-CZ 3.48Å; L400-R403 WeakPolarHBondContact O-CA 3.47Å; L400-R403 PolarHBondContact O-N 3.18Å; R401-R403 PolarHBondContact O-N 2.84Å; R403-T405 PolarHBondContact O-N 2.95Å; R403-L414 HydrophobicContact CB-CD1 4.16Å
404I93.2Very high90.7Very high33 Ų3383 Ų8317%0.16940%0.398CS..  trans-72.7125.6173.2-61.5174.8000108.1L400 R401 L412 E413 L414 L429L400-I404 PolarHBondContact O-N 3.2Å; R401-I404 HydrophobicContact CG-CD1 4.24Å; R401-I404 PolarHBondContact O-N 2.92Å; I404-L412 HydrophobicContact CG2-CB 4.12Å; I404-L412 HydrophobicContact CG2-CD2 3.83Å; I404-E413 WeakPolarHBondContact CA-O 3.41Å; I404-L414 HydrophobicContact CG1-CD1 4.37Å; I404-L429 HydrophobicContact CD1-CD1 4.31Å; I404-L429 HydrophobicContact CD1-CD2 4.3Å
405T93.2Very high91.1Very high72 Ų7283.1 Ų83.144%0.44240%0.398SS..EExtended strand (participates in β ladder)trans-119.7154.5177.254.10000110.3R403 E413R403-T405 PolarHBondContact O-N 2.95Å; T405-E413 PolarHBondContact N-O 3.39Å; T405-E413 WeakPolarHBondContact O-CG 3.5Å; T405-E413 PolarHBondContact O-N 3.15Å; T405-E413 VanDerWaalsContact OG1-CG 3.31Å; T405-E413 WeakPolarHBondContact OG1-CG 3.33Å
406K91.7Very high91.4Very high154 Ų15481.7 Ų81.767%0.6739%0.393SS*.EExtended strand (participates in β ladder)trans-89.1129.1168.5-74.1-172.9176.9-171.20109.5K411 L412K406-K411 WeakPolarHBondContact CA-O 3.32Å; K406-L412 HydrophobicContact CG-CD2 3.83Å
407N89.1Confident91.6Very high27 Ų2783.2 Ų83.214%0.14440%0.395CS..  trans-80.1177.5176.376.98.5000111.6Q409 E410 K411 E413N407-Q409 PolarHBondContact O-N 2.84Å; N407-Q409 VanDerWaalsContact O-N 3.13Å; N407-Q409 VanDerWaalsContact OD1-C 3.26Å; N407-Q409 VanDerWaalsContact OD1-CA 3.3Å; N407-Q409 WeakPolarHBondContact OD1-CA 3.48Å; N407-Q409 WeakPolarHBondContact OD1-CB 3.27Å; N407-Q409 PolarHBondContact OD1-N 3.01Å; N407-E410 WeakPolarHBondContact O-CA 3.28Å; N407-E410 PolarHBondContact O-N 3.28Å; N407-E410 PolarHBondContact OD1-N 2.96Å; N407-E410 VanDerWaalsContact OD1-N 3.15Å; N407-K411 PolarHBondContact N-O 3.09Å; N407-K411 PolarHBondContact OD1-N 2.67Å; N407-E413 HydrophobicContact CB-CG 4.25Å; N407-E413 WeakPolarHBondContact CB-OE2 3.31Å
408S88.4Confident91.6Very high130 Ų13085.8 Ų85.891%0.90941%0.406SS*.THydrogen-bonded Turntrans-65.9-11.9179.261.20000114.4
409Q88.2Confident91.7Very high118 Ų11879.6 Ų79.655%0.55138%0.378SS*.THydrogen-bonded Turntrans-9912.8173.3-59.9179.1-13.500111.5N407 K411N407-Q409 PolarHBondContact O-N 2.84Å; N407-Q409 VanDerWaalsContact O-N 3.13Å; N407-Q409 VanDerWaalsContact OD1-C 3.26Å; N407-Q409 VanDerWaalsContact OD1-CA 3.3Å; N407-Q409 WeakPolarHBondContact OD1-CA 3.48Å; N407-Q409 WeakPolarHBondContact OD1-CB 3.27Å; N407-Q409 PolarHBondContact OD1-N 3.01Å; Q409-K411 HydrophobicContact CB-CG 4.19Å; Q409-K411 PolarHBondContact O-N 2.97Å; Q409-K411 VanDerWaalsContact O-N 3.16Å; Q409-K411 VanDerWaalsContact OE1-CE 3.26Å
410E89.4Confident91.4Very high161 Ų16178.1 Ų78.175%0.75238%0.38SS*.SBendtrans61.910.2-176.1-56.3-172.1164.100115.9N407N407-E410 WeakPolarHBondContact O-CA 3.28Å; N407-E410 PolarHBondContact O-N 3.28Å; N407-E410 PolarHBondContact OD1-N 2.96Å; N407-E410 VanDerWaalsContact OD1-N 3.15Å
411K90.7Very high91.3Very high43 Ų4378.6 Ų78.619%0.18739%0.385CS..  trans-76.3144.3175.8-51.2-178.1-179.9152.10110.9K406 N407 Q409 E413 E433 V434 E457K406-K411 WeakPolarHBondContact CA-O 3.32Å; N407-K411 PolarHBondContact N-O 3.09Å; N407-K411 PolarHBondContact OD1-N 2.67Å; Q409-K411 HydrophobicContact CB-CG 4.19Å; Q409-K411 PolarHBondContact O-N 2.97Å; Q409-K411 VanDerWaalsContact O-N 3.16Å; Q409-K411 VanDerWaalsContact OE1-CE 3.26Å; K411-E413 PolarHBondContact O-N 3.47Å; K411-E433 HydrophobicContact CB-CB 4.18Å; K411-E433 WeakPolarHBondContact CB-OE2 3.41Å; K411-E433 VanDerWaalsContact CG-OE2 3.3Å; K411-E433 WeakPolarHBondContact CG-OE2 3.5Å; K411-V434 HydrophobicContact CB-CG2 3.8Å; K411-V434 HydrophobicContact CD-CG2 3.8Å; K411-V434 HydrophobicContact CG-CG2 4.5Å; K411-E457 IonicContact NZ-OE2 3.52Å; K411-E457 PolarHBondContact NZ-OE2 3.48Å
412L93.9Very high91.2Very high48 Ų4872.2 Ų72.225%0.25136%0.361SS..EExtended strand (participates in β ladder)trans-75.3118.4173.3-67.8171.1000110I404 K406 E431 E433 V434I404-L412 HydrophobicContact CG2-CB 4.12Å; I404-L412 HydrophobicContact CG2-CD2 3.83Å; K406-L412 HydrophobicContact CG-CD2 3.83Å; L412-E431 HydrophobicContact CD1-CB 4.09Å; L412-E431 HydrophobicContact CD1-CG 4.4Å; L412-E431 WeakPolarHBondContact CD1-O 3.39Å; L412-E433 PolarHBondContact O-N 3.27Å; L412-E433 VanDerWaalsContact O-N 3.14Å; L412-V434 PolarHBondContact O-N 3.04Å
413E94.6Very high91.2Very high27 Ų2764.4 Ų64.413%0.12633%0.325CS..EExtended strand (participates in β ladder)trans-119.3144-179.473.4172.3-138.700113I404 T405 N407 K411 V434 K436I404-E413 WeakPolarHBondContact CA-O 3.41Å; T405-E413 PolarHBondContact N-O 3.39Å; T405-E413 WeakPolarHBondContact O-CG 3.5Å; T405-E413 PolarHBondContact O-N 3.15Å; T405-E413 VanDerWaalsContact OG1-CG 3.31Å; T405-E413 WeakPolarHBondContact OG1-CG 3.33Å; N407-E413 HydrophobicContact CB-CG 4.25Å; N407-E413 WeakPolarHBondContact CB-OE2 3.31Å; K411-E413 PolarHBondContact O-N 3.47Å; E413-V434 WeakPolarHBondContact CA-O 3.38Å; E413-V434 HydrophobicContact CB-CB 3.7Å; E413-V434 HydrophobicContact CB-CG1 4.13Å; E413-V434 HydrophobicContact CB-CG2 4.36Å; E413-K436 IonicContact OE1-NZ 2.63Å; E413-K436 PolarHBondContact OE1-NZ 2.83Å; E413-K436 WeakPolarHBondContact OE2-CE 3.18Å; E413-K436 IonicContact OE2-NZ 4Å; E413-K436 PolarHBondContact OE2-NZ 3.34Å
414L95.7Very high91.1Very high0 Ų059.9 Ų59.90%031%0.311CS..EExtended strand (participates in β ladder)trans-123.7125.1172.8179.269000108.6L400 R403 I404 L416 V426 L429 L432 V434 L435 K436L400-L414 HydrophobicContact CD2-CD1 4.49Å; L400-L414 HydrophobicContact CD2-CD2 4.37Å; R403-L414 HydrophobicContact CB-CD1 4.16Å; I404-L414 HydrophobicContact CG1-CD1 4.37Å; L414-L416 HydrophobicContact CD1-CD2 4.37Å; L414-L416 HydrophobicContact CD2-CD2 4.18Å; L414-L416 HydrophobicContact CD2-CG 4.42Å; L414-L416 HydrophobicContact CG-CD2 4.14Å; L414-L416 HydrophobicContact CG-CG 4.37Å; L414-V426 HydrophobicContact CD2-CB 4.5Å; L414-V426 HydrophobicContact CD2-CG1 3.68Å; L414-V426 HydrophobicContact CD2-CG2 4.18Å; L414-L429 HydrophobicContact CD2-CD1 3.92Å; L414-L432 HydrophobicContact CB-CD1 3.56Å; L414-L432 HydrophobicContact CB-CD2 3.91Å; L414-L432 HydrophobicContact CB-CG 4.41Å; L414-L432 HydrophobicContact CD2-CD2 4.32Å; L414-V434 PolarHBondContact N-O 2.86Å; L414-L435 HydrophobicContact CD2-CD1 4.31Å; L414-K436 PolarHBondContact O-N 3.3Å
415H95.1Very high90.9Very high74 Ų7459.4 Ų59.434%0.34331%0.31SS..EExtended strand (participates in β ladder)trans-111.8118.8177.6-179.9-151.2000111K436 E438H415-K436 HydrophobicContact CB-CB 4.23Å; H415-E438 IonicContact CE1-OE2 2.72Å; H415-E438 PolarHBondContact CE1-OE2 2.79Å; H415-E438 IonicContact NE2-OE2 3.62Å; H415-E438 PolarHBondContact NE2-OE2 2.96Å
416L93.9Very high90.8Very high2 Ų256 Ų561%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-108125.5176.1-57.1179.8000109.2L400 L414 L419 V426 L435 K436 L437 E438 I440L400-L416 HydrophobicContact CD2-CD2 4.17Å; L414-L416 HydrophobicContact CD1-CD2 4.37Å; L414-L416 HydrophobicContact CD2-CD2 4.18Å; L414-L416 HydrophobicContact CD2-CG 4.42Å; L414-L416 HydrophobicContact CG-CD2 4.14Å; L414-L416 HydrophobicContact CG-CG 4.37Å; L416-L419 HydrophobicContact CB-CD1 4.01Å; L416-L419 HydrophobicContact CD1-CD1 4.36Å; L416-L419 HydrophobicContact CD2-CD1 4.12Å; L416-L419 HydrophobicContact CG-CD1 4.39Å; L416-V426 HydrophobicContact CD1-CG2 3.83Å; L416-L435 HydrophobicContact CD1-CD1 4.41Å; L416-K436 PolarHBondContact N-O 3.36Å; L416-L437 HydrophobicContact CB-CD2 4.22Å; L416-L437 HydrophobicContact CD1-CD2 3.88Å; L416-L437 HydrophobicContact CG-CD2 4.41Å; L416-E438 PolarHBondContact O-N 3.09Å; L416-I440 HydrophobicContact CB-CD1 4.07Å
417F93.4Very high90.8Very high90 Ų9048.7 Ų48.740%0.39526%0.258SS..EExtended strand (participates in β ladder)trans-131.8129.3-171.4-180-108.1000111.2L419 E438 L439F417-L419 VanDerWaalsContact C-N 3.31Å; F417-L419 PolarHBondContact O-N 3.34Å; F417-E438 WeakPolarHBondContact CA-O 3.21Å; F417-E438 HydrophobicContact CD2-CB 3.9Å; F417-E438 HydrophobicContact CD2-CG 3.6Å; F417-E438 WeakPolarHBondContact CD2-OE2 3.43Å; F417-E438 HydrophobicContact CE2-CG 3.84Å; F417-L439 HydrophobicContact CE2-CD1 3.67Å; F417-L439 HydrophobicContact CE2-CG 4.42Å; F417-L439 HydrophobicContact CZ-CD1 4.02Å
418M89.6Confident90.9Very high124 Ų12451.2 Ų51.261%0.61127%0.271SS*.SBendtrans52.741.2176.8-62.5-167.2-45.600114.6E438 L439M418-E438 PolarHBondContact N-O 3.5Å; M418-L439 HydrophobicContact CG-CB 4.07Å; M418-L439 HydrophobicContact CG-CD1 4.06Å
419L90Very high91Very high20 Ų2045.1 Ų45.111%0.10523%0.228CC..  trans-88.9154.7170.8-58.5-175.3000110.5L391 W395 L416 F417 G421 P423 I440 P441L391-L419 HydrophobicContact CD1-CB 4.43Å; L391-L419 HydrophobicContact CD1-CD2 4.36Å; W395-L419 HydrophobicContact CZ2-CD2 3.66Å; L416-L419 HydrophobicContact CB-CD1 4.01Å; L416-L419 HydrophobicContact CD1-CD1 4.36Å; L416-L419 HydrophobicContact CD2-CD1 4.12Å; L416-L419 HydrophobicContact CG-CD1 4.39Å; F417-L419 VanDerWaalsContact C-N 3.31Å; F417-L419 PolarHBondContact O-N 3.34Å; L419-G421 VanDerWaalsContact CB-O 3.28Å; L419-G421 WeakPolarHBondContact CB-O 3.25Å; L419-G421 PolarHBondContact O-N 2.98Å; L419-P423 HydrophobicContact CD1-CG 3.96Å; L419-I440 HydrophobicContact CB-CD1 4.37Å; L419-I440 HydrophobicContact CB-CG1 4.42Å; L419-I440 WeakPolarHBondContact O-CG2 3.45Å; L419-P441 WeakPolarHBondContact O-CD 3.34Å
420S85.9Confident91.2Very high68 Ų6842.5 Ų42.548%0.47622%0.22SC..SBendtrans-74.3-11.4175.3560000113.9
421G88.4Confident91.3Very high9 Ų938.1 Ų38.19%0.09320%0.199CC..SBendtrans-172.4-173.3-177.900000110.3L391 L419L391-G421 WeakPolarHBondContact CD2-O 3.45Å; L419-G421 VanDerWaalsContact CB-O 3.28Å; L419-G421 WeakPolarHBondContact CB-O 3.25Å; L419-G421 PolarHBondContact O-N 2.98Å
422I89.6Confident91.4Very high10 Ų1036 Ų365%0.05119%0.191CC..  trans-95.6122.4171.9-57.1178.2000108.4Q388 D424 F427 L437 V443 I445Q388-I422 PolarHBondContact NE2-O 3.49Å; I422-D424 PolarHBondContact O-N 2.89Å; I422-F427 HydrophobicContact CG2-CE2 3.93Å; I422-F427 HydrophobicContact CG2-CZ 3.67Å; I422-L437 HydrophobicContact CD1-CD1 3.64Å; I422-L437 HydrophobicContact CD1-CD2 4.41Å; I422-L437 HydrophobicContact CG1-CD1 4.32Å; I422-L437 HydrophobicContact CG1-CD2 4.42Å; I422-V443 HydrophobicContact CD1-CG1 3.35Å; I422-V443 HydrophobicContact CG1-CG1 3.92Å; I422-V443 HydrophobicContact CG1-CG2 4.36Å; I422-I445 HydrophobicContact CD1-CG1 4.46Å
423P91Very high91.4Very high0 Ų037 Ų370%019%0.194CC..  trans-64.2132.9172.6-10.121.7000110.9L391 N392 W395 L419 T425 V426L391-P423 HydrophobicContact CD1-CG 4.43Å; L391-P423 HydrophobicContact CD2-CB 4.3Å; L391-P423 HydrophobicContact CD2-CG 3.89Å; L391-P423 HydrophobicContact CG-CB 4.2Å; L391-P423 HydrophobicContact CG-CG 3.9Å; N392-P423 WeakPolarHBondContact OD1-CA 3.29Å; W395-P423 HydrophobicContact CB-CB 3.86Å; W395-P423 HydrophobicContact CB-CG 3.89Å; W395-P423 HydrophobicContact CG-CB 4.42Å; W395-P423 HydrophobicContact CG-CG 3.93Å; L419-P423 HydrophobicContact CD1-CG 3.96Å; P423-T425 PolarHBondContact O-N 3Å; P423-V426 HydrophobicContact CB-CG2 4.11Å; P423-V426 HydrophobicContact CG-CG2 4.09Å; P423-V426 VanDerWaalsContact O-CB 3.28Å; P423-V426 WeakPolarHBondContact O-CB 3.32Å; P423-V426 VanDerWaalsContact O-CG2 3.29Å; P423-V426 WeakPolarHBondContact O-CG2 3.44Å; P423-V426 PolarHBondContact O-N 3.28Å; P423-V426 VanDerWaalsContact O-N 3.11Å
424D87.8Confident91.5Very high47 Ų4735.7 Ų35.725%0.25119%0.188SC..G310 helixtrans-67-27.3-178-63.2-47.9000112.1Q388 N392 I422 V426 F427Q388-D424 PolarHBondContact NE2-OD1 3.33Å; Q388-D424 PolarHBondContact NE2-OD2 3.46Å; Q388-D424 VanDerWaalsContact NE2-OD2 3.07Å; N392-D424 PolarHBondContact ND2-OD2 3.16Å; N392-D424 PolarHBondContact OD1-N 3.04Å; I422-D424 PolarHBondContact O-N 2.89Å; D424-V426 PolarHBondContact O-N 3.25Å; D424-V426 VanDerWaalsContact O-N 3.09Å; D424-F427 WeakPolarHBondContact O-CD2 3.3Å; D424-F427 PolarHBondContact O-N 2.77Å
425T88.5Confident91.5Very high24 Ų2435.7 Ų35.715%0.14719%0.188CC..G310 helixtrans-60.3-16.7173.851.50000113.6W395 L397 L400 P423 F427W395-T425 WeakPolarHBondContact O-CB 3.41Å; W395-T425 WeakPolarHBondContact O-CG2 3.33Å; W395-T425 PolarHBondContact O-OG1 3.21Å; L397-T425 WeakPolarHBondContact CD2-O 3.35Å; L400-T425 WeakPolarHBondContact CD1-OG1 3.38Å; P423-T425 PolarHBondContact O-N 3Å; T425-F427 VanDerWaalsContact C-N 3.28Å; T425-F427 PolarHBondContact O-N 3.25Å
426V91.6Very high91.6Very high0 Ų033.7 Ų33.70%018%0.178CC..G310 helixtrans-66.3-33.7174.2174.20000111.3L400 L414 L416 P423 D424 D428 L429 L435L400-V426 HydrophobicContact CD1-CB 4.46Å; L400-V426 HydrophobicContact CD1-CG2 3.75Å; L400-V426 HydrophobicContact CD2-CG2 4.01Å; L414-V426 HydrophobicContact CD2-CB 4.5Å; L414-V426 HydrophobicContact CD2-CG1 3.68Å; L414-V426 HydrophobicContact CD2-CG2 4.18Å; L416-V426 HydrophobicContact CD1-CG2 3.83Å; P423-V426 HydrophobicContact CB-CG2 4.11Å; P423-V426 HydrophobicContact CG-CG2 4.09Å; P423-V426 VanDerWaalsContact O-CB 3.28Å; P423-V426 WeakPolarHBondContact O-CB 3.32Å; P423-V426 VanDerWaalsContact O-CG2 3.29Å; P423-V426 WeakPolarHBondContact O-CG2 3.44Å; P423-V426 PolarHBondContact O-N 3.28Å; P423-V426 VanDerWaalsContact O-N 3.11Å; D424-V426 PolarHBondContact O-N 3.25Å; D424-V426 VanDerWaalsContact O-N 3.09Å; V426-D428 VanDerWaalsContact C-N 3.25Å; V426-D428 PolarHBondContact O-N 2.94Å; V426-L429 WeakPolarHBondContact O-CB 3.47Å; V426-L429 PolarHBondContact O-N 3.31Å; V426-L435 HydrophobicContact CG1-CD1 4.01Å
427F91.4Very high91.7Very high1 Ų133.6 Ų33.60%0.00418%0.178CC..THydrogen-bonded Turntrans-76.3-14.5-175.3-55.5-65.9000113.3I422 D424 T425 L429 P446 I448 I449 Q451 L452I422-F427 HydrophobicContact CG2-CE2 3.93Å; I422-F427 HydrophobicContact CG2-CZ 3.67Å; D424-F427 WeakPolarHBondContact O-CD2 3.3Å; D424-F427 PolarHBondContact O-N 2.77Å; T425-F427 VanDerWaalsContact C-N 3.28Å; T425-F427 PolarHBondContact O-N 3.25Å; F427-L429 PolarHBondContact O-N 2.91Å; F427-P446 HydrophobicContact CD2-CG 4.02Å; F427-P446 HydrophobicContact CE2-CG 3.31Å; F427-P446 HydrophobicContact CZ-CG 3.62Å; F427-I448 HydrophobicContact CB-CB 4.36Å; F427-I448 HydrophobicContact CB-CG2 3.7Å; F427-I448 HydrophobicContact CD2-CB 4.34Å; F427-I448 HydrophobicContact CD2-CG2 4.37Å; F427-I448 HydrophobicContact CG-CB 4.45Å; F427-I448 HydrophobicContact CG-CG2 4.28Å; F427-I449 HydrophobicContact CD1-CB 3.92Å; F427-I449 HydrophobicContact CD1-CG1 4.04Å; F427-I449 HydrophobicContact CE1-CB 3.86Å; F427-I449 HydrophobicContact CE1-CD1 4.24Å; F427-I449 HydrophobicContact CE1-CG1 3.93Å; F427-Q451 WeakPolarHBondContact O-CB 3.36Å; F427-Q451 PolarHBondContact O-OE1 3.45Å; F427-L452 HydrophobicContact CD1-CD1 3.88Å; F427-L452 HydrophobicContact CD1-CG 4.37Å; F427-L452 VanDerWaalsContact O-CD2 3.29Å; F427-L452 WeakPolarHBondContact O-CD2 3.42Å
428D90.8Very high91.8Very high79 Ų7931.2 Ų31.242%0.42217%0.167SC..THydrogen-bonded Turntrans-75.7-10.3172-62.5-42.1000112.7L397 V426 V430L397-D428 HydrophobicContact CD1-CB 4.43Å; L397-D428 HydrophobicContact CD2-CB 3.54Å; V426-D428 VanDerWaalsContact C-N 3.25Å; V426-D428 PolarHBondContact O-N 2.94Å; D428-V430 VanDerWaalsContact C-N 3.32Å; D428-V430 PolarHBondContact O-N 3.27Å
429L91.1Very high92Very high2 Ų229.1 Ų29.11%0.0116%0.158CC..  trans-8370.3-179.3-61.1170.4000111.7L397 L400 R401 I404 L414 V426 F427 E431 L432 L452L397-L429 HydrophobicContact CD2-CD2 4.32Å; L400-L429 HydrophobicContact CB-CD1 3.85Å; L400-L429 HydrophobicContact CD1-CD1 4.22Å; R401-L429 HydrophobicContact CG-CD2 3.88Å; I404-L429 HydrophobicContact CD1-CD1 4.31Å; I404-L429 HydrophobicContact CD1-CD2 4.3Å; L414-L429 HydrophobicContact CD2-CD1 3.92Å; V426-L429 WeakPolarHBondContact O-CB 3.47Å; V426-L429 PolarHBondContact O-N 3.31Å; F427-L429 PolarHBondContact O-N 2.91Å; L429-E431 PolarHBondContact O-N 3.4Å; L429-L432 HydrophobicContact CB-CB 4.42Å; L429-L432 VanDerWaalsContact O-CB 3.24Å; L429-L432 WeakPolarHBondContact O-CB 3.48Å; L429-L432 PolarHBondContact O-N 2.98Å; L429-L452 WeakPolarHBondContact O-CD2 3.44Å
430V91.8Very high92.1Very high64 Ų6428.1 Ų28.139%0.38815%0.153SC..THydrogen-bonded Turntrans-58.6-23.8-175.2-169.50000113.5D428 L432 N454D428-V430 VanDerWaalsContact C-N 3.32Å; D428-V430 PolarHBondContact O-N 3.27Å; V430-L432 PolarHBondContact O-N 3.37Å; V430-N454 PolarHBondContact O-ND2 2.8Å
431E91.6Very high92.1Very high68 Ų6828.3 Ų28.332%0.31815%0.153SC..THydrogen-bonded Turntrans-70.3-9.7174.860.1-111.4-162.400115R401 L412 L429R401-E431 IonicContact CZ-OE1 3.21Å; R401-E431 IonicContact NE-OE1 2.8Å; R401-E431 PolarHBondContact NE-OE1 2.86Å; R401-E431 VanDerWaalsContact NE-OE1 3.16Å; R401-E431 IonicContact NH2-OE1 2.8Å; R401-E431 IonicContact NH2-OE2 2.65Å; L412-E431 HydrophobicContact CD1-CB 4.09Å; L412-E431 HydrophobicContact CD1-CG 4.4Å; L412-E431 WeakPolarHBondContact CD1-O 3.39Å; L429-E431 PolarHBondContact O-N 3.4Å
432L93.3Very high91.5Very high0 Ų033.9 Ų33.90%018%0.181CC..  trans-76.6129-172.1-167.968.8000113L414 L429 V430 V434 L435 L452 N454 L455L414-L432 HydrophobicContact CB-CD1 3.56Å; L414-L432 HydrophobicContact CB-CD2 3.91Å; L414-L432 HydrophobicContact CB-CG 4.41Å; L414-L432 HydrophobicContact CD2-CD2 4.32Å; L429-L432 HydrophobicContact CB-CB 4.42Å; L429-L432 VanDerWaalsContact O-CB 3.24Å; L429-L432 WeakPolarHBondContact O-CB 3.48Å; L429-L432 PolarHBondContact O-N 2.98Å; V430-L432 PolarHBondContact O-N 3.37Å; L432-V434 WeakPolarHBondContact CD1-O 3.11Å; L432-L435 HydrophobicContact CD2-CB 4.13Å; L432-L435 HydrophobicContact CD2-CD1 4.07Å; L432-L452 HydrophobicContact CB-CD2 4.5Å; L432-N454 CarbonylContact O-C 3.6Å; L432-L455 PolarHBondContact O-N 3.3Å
433E94.9Very high91.2Very high67 Ų6733.6 Ų33.631%0.31318%0.179SC..  trans-103.5-30.6176.1-68.3-175.6-15700113.2K411 L412 N454 R456 E457K411-E433 HydrophobicContact CB-CB 4.18Å; K411-E433 WeakPolarHBondContact CB-OE2 3.41Å; K411-E433 VanDerWaalsContact CG-OE2 3.3Å; K411-E433 WeakPolarHBondContact CG-OE2 3.5Å; L412-E433 PolarHBondContact O-N 3.27Å; L412-E433 VanDerWaalsContact O-N 3.14Å; E433-N454 HydrophobicContact CG-CB 4.3Å; E433-R456 PolarHBondContact O-N 2.87Å; E433-E457 PolarHBondContact O-N 3.3Å; E433-E457 VanDerWaalsContact O-N 3.12Å
434V96.4Very high91.1Very high0 Ų037.7 Ų37.70%020%0.204CC..EExtended strand (participates in β ladder)trans-127.7122-176.1-171.60000110.8K411 L412 E413 L414 L432 K436 E457K411-V434 HydrophobicContact CB-CG2 3.8Å; K411-V434 HydrophobicContact CD-CG2 3.8Å; K411-V434 HydrophobicContact CG-CG2 4.5Å; L412-V434 PolarHBondContact O-N 3.04Å; E413-V434 WeakPolarHBondContact CA-O 3.38Å; E413-V434 HydrophobicContact CB-CB 3.7Å; E413-V434 HydrophobicContact CB-CG1 4.13Å; E413-V434 HydrophobicContact CB-CG2 4.36Å; L414-V434 PolarHBondContact N-O 2.86Å; L432-V434 WeakPolarHBondContact CD1-O 3.11Å; V434-K436 HydrophobicContact CG1-CG 4.17Å; V434-E457 WeakPolarHBondContact CA-O 3.48Å; V434-E457 HydrophobicContact CB-CB 4.38Å; V434-E457 HydrophobicContact CG1-CB 4.1Å; V434-E457 HydrophobicContact CG1-CG 4.01Å; V434-E457 HydrophobicContact CG2-CB 4.03Å
435L95.8Very high91.2Very high1 Ų135.5 Ų35.51%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-112.1118.3174.2-17961000110.7L414 L416 V426 L432 L437 L455 E457 M458 W459L414-L435 HydrophobicContact CD2-CD1 4.31Å; L416-L435 HydrophobicContact CD1-CD1 4.41Å; V426-L435 HydrophobicContact CG1-CD1 4.01Å; L432-L435 HydrophobicContact CD2-CB 4.13Å; L432-L435 HydrophobicContact CD2-CD1 4.07Å; L435-L437 HydrophobicContact CD1-CD2 4Å; L435-L437 HydrophobicContact CD2-CD2 4.29Å; L435-L437 HydrophobicContact CG-CD2 4Å; L435-L437 HydrophobicContact CG-CG 4.27Å; L435-L455 HydrophobicContact CB-CD1 3.87Å; L435-E457 PolarHBondContact N-O 3.13Å; L435-M458 HydrophobicContact CD2-CE 3.89Å; L435-M458 CarbonylContact O-C 3.57Å; L435-M458 WeakPolarHBondContact O-CA 3.43Å; L435-W459 PolarHBondContact O-N 2.77Å
436K95.8Very high91.3Very high31 Ų3135.3 Ų35.314%0.13519%0.192CC..EExtended strand (participates in β ladder)trans-109.7120176.6-51.2-172.5-178.6160.50111.4E413 L414 H415 L416 V434 W459E413-K436 IonicContact OE1-NZ 2.63Å; E413-K436 PolarHBondContact OE1-NZ 2.83Å; E413-K436 WeakPolarHBondContact OE2-CE 3.18Å; E413-K436 IonicContact OE2-NZ 4Å; E413-K436 PolarHBondContact OE2-NZ 3.34Å; L414-K436 PolarHBondContact O-N 3.3Å; H415-K436 HydrophobicContact CB-CB 4.23Å; L416-K436 PolarHBondContact N-O 3.36Å; V434-K436 HydrophobicContact CG1-CG 4.17Å; K436-W459 HydrophobicContact CB-CB 3.97Å; K436-W459 HydrophobicContact CB-CG 4.29Å; K436-W459 HydrophobicContact CD-CD2 3.84Å; K436-W459 HydrophobicContact CD-CE3 3.95Å; K436-W459 HydrophobicContact CD-CG 4.09Å; K436-W459 HydrophobicContact CG-CB 3.86Å; K436-W459 HydrophobicContact CG-CD2 3.94Å; K436-W459 HydrophobicContact CG-CE3 4.45Å; K436-W459 HydrophobicContact CG-CG 3.62Å
437L95.9Very high91.1Very high1 Ų137.3 Ų37.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-112.4123.7177.7-54.1-179.1000108.9L416 I422 L435 I440 W459 L460 Y461 T463L416-L437 HydrophobicContact CB-CD2 4.22Å; L416-L437 HydrophobicContact CD1-CD2 3.88Å; L416-L437 HydrophobicContact CG-CD2 4.41Å; I422-L437 HydrophobicContact CD1-CD1 3.64Å; I422-L437 HydrophobicContact CD1-CD2 4.41Å; I422-L437 HydrophobicContact CG1-CD1 4.32Å; I422-L437 HydrophobicContact CG1-CD2 4.42Å; L435-L437 HydrophobicContact CD1-CD2 4Å; L435-L437 HydrophobicContact CD2-CD2 4.29Å; L435-L437 HydrophobicContact CG-CD2 4Å; L435-L437 HydrophobicContact CG-CG 4.27Å; L437-I440 HydrophobicContact CB-CD1 4.12Å; L437-I440 HydrophobicContact CD2-CD1 3.97Å; L437-W459 PolarHBondContact N-O 3.07Å; L437-L460 HydrophobicContact CB-CD2 4.41Å; L437-L460 HydrophobicContact CD1-CD2 3.93Å; L437-Y461 PolarHBondContact O-N 3.31Å; L437-T463 HydrophobicContact CB-CG2 4.21Å
438E96.2Very high91.1Very high39 Ų3940.2 Ų40.218%0.18222%0.22CC..EExtended strand (participates in β ladder)trans-135.3128.1-178.3-177.1172.4-16200112.3H415 L416 F417 M418 I440 Y461H415-E438 IonicContact CE1-OE2 2.72Å; H415-E438 PolarHBondContact CE1-OE2 2.79Å; H415-E438 IonicContact NE2-OE2 3.62Å; H415-E438 PolarHBondContact NE2-OE2 2.96Å; L416-E438 PolarHBondContact O-N 3.09Å; F417-E438 WeakPolarHBondContact CA-O 3.21Å; F417-E438 HydrophobicContact CD2-CB 3.9Å; F417-E438 HydrophobicContact CD2-CG 3.6Å; F417-E438 WeakPolarHBondContact CD2-OE2 3.43Å; F417-E438 HydrophobicContact CE2-CG 3.84Å; M418-E438 PolarHBondContact N-O 3.5Å; E438-I440 VanDerWaalsContact C-N 3.28Å; E438-I440 PolarHBondContact O-N 3.3Å; E438-Y461 WeakPolarHBondContact CA-O 3.05Å
439L94.1Very high91.1Very high80 Ų8036.5 Ų36.542%0.41920%0.2SC..SBendtrans5439.8179.5-62.7172.1000113.9F417 M418 Y461 H462F417-L439 HydrophobicContact CE2-CD1 3.67Å; F417-L439 HydrophobicContact CE2-CG 4.42Å; F417-L439 HydrophobicContact CZ-CD1 4.02Å; M418-L439 HydrophobicContact CG-CB 4.07Å; M418-L439 HydrophobicContact CG-CD1 4.06Å; L439-Y461 PolarHBondContact N-O 3.41Å; L439-H462 HydrophobicContact CD2-CB 3.8Å
440I91.7Very high91.1Very high0 Ų038.9 Ų38.90%022%0.22CC..  trans-101115.4173.1-49.9-178.2000108.3L416 L419 L437 E438 V443 T463L416-I440 HydrophobicContact CB-CD1 4.07Å; L419-I440 HydrophobicContact CB-CD1 4.37Å; L419-I440 HydrophobicContact CB-CG1 4.42Å; L419-I440 WeakPolarHBondContact O-CG2 3.45Å; L437-I440 HydrophobicContact CB-CD1 4.12Å; L437-I440 HydrophobicContact CD2-CD1 3.97Å; E438-I440 VanDerWaalsContact C-N 3.28Å; E438-I440 PolarHBondContact O-N 3.3Å; I440-V443 HydrophobicContact CB-CG2 3.68Å; I440-V443 HydrophobicContact CG2-CG2 3.32Å; I440-T463 HydrophobicContact CB-CG2 3.98Å; I440-T463 HydrophobicContact CG1-CG2 4.35Å; I440-T463 VanDerWaalsContact N-CG2 3.31Å
441P85.9Confident91.1Very high71 Ų7140.2 Ų40.246%0.46122%0.222SC..  trans-77.5148.6-178.431.8-33.6000111.9L419 V443L419-P441 WeakPolarHBondContact O-CD 3.34Å; P441-V443 VanDerWaalsContact C-N 3.31Å; P441-V443 PolarHBondContact O-N 3.4Å; P441-V443 VanDerWaalsContact O-N 3.17Å
442D75.8Confident91.1Very high127 Ų12737 Ų3768%0.67921%0.207SC*.SBendtrans46.745.9170.3-64.9-48.6000115.4T444D442-T444 PolarHBondContact O-N 3.28Å
443V84.1Confident90.9Very high4 Ų439.7 Ų39.72%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-68.2125.3-178.4170.20000111I422 I440 P441 I445 P464 A465 K466I422-V443 HydrophobicContact CD1-CG1 3.35Å; I422-V443 HydrophobicContact CG1-CG1 3.92Å; I422-V443 HydrophobicContact CG1-CG2 4.36Å; I440-V443 HydrophobicContact CB-CG2 3.68Å; I440-V443 HydrophobicContact CG2-CG2 3.32Å; P441-V443 VanDerWaalsContact C-N 3.31Å; P441-V443 PolarHBondContact O-N 3.4Å; P441-V443 VanDerWaalsContact O-N 3.17Å; V443-I445 HydrophobicContact CG1-CG1 4.07Å; V443-P464 PolarHBondContact N-O 2.91Å; V443-A465 HydrophobicContact CB-CB 4.46Å; V443-A465 HydrophobicContact CG1-CB 4.33Å; V443-A465 CarbonylContact O-C 3.6Å; V443-A465 WeakPolarHBondContact O-CA 3.22Å; V443-K466 PolarHBondContact O-N 3.09Å
444T88.2Confident90.8Very high85 Ų8539.9 Ų39.952%0.52123%0.229SC..EExtended strand (participates in β ladder)trans-105.8117.5161.248.90000108.7D442 P446 K466D442-T444 PolarHBondContact O-N 3.28Å; T444-P446 VanDerWaalsContact O-CD 3.26Å; T444-P446 WeakPolarHBondContact O-CD 3.27Å; T444-K466 WeakPolarHBondContact CA-O 3.33Å; T444-K466 HydrophobicContact CG2-CB 4.12Å
445I90.2Very high90.7Very high1 Ų139.9 Ų39.91%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-78.2113.7176-61.4172000108.1I422 V443 I449 M458 A465 K466 I467 A471 W495I422-I445 HydrophobicContact CD1-CG1 4.46Å; V443-I445 HydrophobicContact CG1-CG1 4.07Å; I445-I449 HydrophobicContact CG2-CB 4.11Å; I445-I449 HydrophobicContact CG2-CD1 3.55Å; I445-I449 HydrophobicContact CG2-CG1 4.42Å; I445-I449 HydrophobicContact CG2-CG2 4.03Å; I445-M458 HydrophobicContact CD1-CE 4Å; I445-M458 HydrophobicContact CD1-SD 4.18Å; I445-A465 HydrophobicContact CD1-CB 4.31Å; I445-K466 PolarHBondContact N-O 3.05Å; I445-I467 HydrophobicContact CB-CD1 4.38Å; I445-I467 HydrophobicContact CB-CG1 4.15Å; I445-I467 HydrophobicContact CD1-CD1 4.39Å; I445-I467 HydrophobicContact CG2-CD1 4.4Å; I445-A471 HydrophobicContact CG2-CB 4.37Å; I445-W495 HydrophobicContact CD1-CZ2 4.45Å
446P89.6Confident90.6Very high20 Ų2044.4 Ų44.413%0.1325%0.246CC..  trans-75.5160.3-176.332-35000111.7F427 T444 I448 I449F427-P446 HydrophobicContact CD2-CG 4.02Å; F427-P446 HydrophobicContact CE2-CG 3.31Å; F427-P446 HydrophobicContact CZ-CG 3.62Å; T444-P446 VanDerWaalsContact O-CD 3.26Å; T444-P446 WeakPolarHBondContact O-CD 3.27Å; P446-I448 PolarHBondContact O-N 3.25Å; P446-I448 VanDerWaalsContact O-N 3.11Å; P446-I449 VanDerWaalsContact O-CG2 3.29Å; P446-I449 WeakPolarHBondContact O-CG2 3.25Å; P446-I449 PolarHBondContact O-N 3.07Å
447P88.6Confident90.7Very high43 Ų4343.3 Ų43.328%0.27924%0.241SC..G310 helixtrans-61.7-19177.127-35.9000113.6I449 A450 P470P447-I449 PolarHBondContact O-N 3.16Å; P447-I449 VanDerWaalsContact O-N 3.12Å; P447-A450 WeakPolarHBondContact O-CB 3.47Å; P447-A450 PolarHBondContact O-N 3.19Å; P447-A450 VanDerWaalsContact O-N 3.15Å; P447-P470 HydrophobicContact CB-CB 4.03Å; P447-P470 HydrophobicContact CB-CG 4.47Å
448I90.3Very high90.6Very high62 Ų6243.3 Ų43.332%0.31824%0.241SC..G310 helixtrans-60.3-21.2177.8-52.3172.9000111.8F427 P446 A450 Q451F427-I448 HydrophobicContact CB-CB 4.36Å; F427-I448 HydrophobicContact CB-CG2 3.7Å; F427-I448 HydrophobicContact CD2-CB 4.34Å; F427-I448 HydrophobicContact CD2-CG2 4.37Å; F427-I448 HydrophobicContact CG-CB 4.45Å; F427-I448 HydrophobicContact CG-CG2 4.28Å; P446-I448 PolarHBondContact O-N 3.25Å; P446-I448 VanDerWaalsContact O-N 3.11Å; I448-A450 PolarHBondContact O-N 3.46Å; I448-Q451 HydrophobicContact CG2-CG 4.34Å; I448-Q451 WeakPolarHBondContact O-CB 3.08Å; I448-Q451 WeakPolarHBondContact O-CG 3.2Å; I448-Q451 PolarHBondContact O-N 2.89Å
449I91.5Very high90.7Very high0 Ų043.7 Ų43.70%024%0.241CC..G310 helixtrans-53-23.9173.3-164.1166.8000113.7F427 I445 P446 P447 Q451 L452 L455 M458 A471 F474 L475F427-I449 HydrophobicContact CD1-CB 3.92Å; F427-I449 HydrophobicContact CD1-CG1 4.04Å; F427-I449 HydrophobicContact CE1-CB 3.86Å; F427-I449 HydrophobicContact CE1-CD1 4.24Å; F427-I449 HydrophobicContact CE1-CG1 3.93Å; I445-I449 HydrophobicContact CG2-CB 4.11Å; I445-I449 HydrophobicContact CG2-CD1 3.55Å; I445-I449 HydrophobicContact CG2-CG1 4.42Å; I445-I449 HydrophobicContact CG2-CG2 4.03Å; P446-I449 VanDerWaalsContact O-CG2 3.29Å; P446-I449 WeakPolarHBondContact O-CG2 3.25Å; P446-I449 PolarHBondContact O-N 3.07Å; P447-I449 PolarHBondContact O-N 3.16Å; P447-I449 VanDerWaalsContact O-N 3.12Å; I449-Q451 PolarHBondContact O-N 3.49Å; I449-Q451 VanDerWaalsContact O-N 3.09Å; I449-L452 HydrophobicContact CG1-CD1 4.23Å; I449-L452 WeakPolarHBondContact O-CB 3.44Å; I449-L452 PolarHBondContact O-N 2.9Å; I449-L455 HydrophobicContact CD1-CD2 4Å; I449-L455 HydrophobicContact CG1-CD2 4.25Å; I449-M458 HydrophobicContact CD1-CE 3.86Å; I449-A471 HydrophobicContact CG2-CB 3.76Å; I449-F474 HydrophobicContact CG1-CD1 4.43Å; I449-F474 HydrophobicContact CG1-CE1 4.29Å; I449-F474 HydrophobicContact CG2-CD1 4.04Å; I449-F474 WeakPolarHBondContact O-CE1 3.12Å; I449-L475 HydrophobicContact CD1-CD2 3.9Å
450A90.6Very high90.7Very high52 Ų5240 Ų4043%0.4322%0.222SC..G310 helixtrans-60-17.517600000114.1P447 I448 L452 F474P447-A450 WeakPolarHBondContact O-CB 3.47Å; P447-A450 PolarHBondContact O-N 3.19Å; P447-A450 VanDerWaalsContact O-N 3.15Å; I448-A450 PolarHBondContact O-N 3.46Å; A450-L452 VanDerWaalsContact C-N 3.29Å; A450-F474 HydrophobicContact CB-CB 4.2Å; A450-F474 HydrophobicContact CB-CD2 3.97Å; A450-F474 HydrophobicContact CB-CG 4.04Å
451Q92.2Very high90.9Very high92 Ų9242.3 Ų42.343%0.4323%0.231SC..G310 helixtrans-70-24.6173.7-65.2177.5-5.500112.9F427 I448 I449 S453F427-Q451 WeakPolarHBondContact O-CB 3.36Å; F427-Q451 PolarHBondContact O-OE1 3.45Å; I448-Q451 HydrophobicContact CG2-CG 4.34Å; I448-Q451 WeakPolarHBondContact O-CB 3.08Å; I448-Q451 WeakPolarHBondContact O-CG 3.2Å; I448-Q451 PolarHBondContact O-N 2.89Å; I449-Q451 PolarHBondContact O-N 3.49Å; I449-Q451 VanDerWaalsContact O-N 3.09Å; Q451-S453 PolarHBondContact O-N 3.3Å
452L91.6Very high91.3Very high0 Ų041.1 Ų41.10%022%0.219CC..  trans-79.862.6-179.2-62-177.8000112.2F427 L429 L432 I449 A450 N454 L455 F474F427-L452 HydrophobicContact CD1-CD1 3.88Å; F427-L452 HydrophobicContact CD1-CG 4.37Å; F427-L452 VanDerWaalsContact O-CD2 3.29Å; F427-L452 WeakPolarHBondContact O-CD2 3.42Å; L429-L452 WeakPolarHBondContact O-CD2 3.44Å; L432-L452 HydrophobicContact CB-CD2 4.5Å; I449-L452 HydrophobicContact CG1-CD1 4.23Å; I449-L452 WeakPolarHBondContact O-CB 3.44Å; I449-L452 PolarHBondContact O-N 2.9Å; A450-L452 VanDerWaalsContact C-N 3.29Å; L452-N454 PolarHBondContact O-N 3.45Å; L452-L455 HydrophobicContact CB-CB 4.02Å; L452-L455 HydrophobicContact CD1-CD2 4.46Å; L452-L455 VanDerWaalsContact O-CB 3.28Å; L452-L455 WeakPolarHBondContact O-CB 3.45Å; L452-L455 PolarHBondContact O-N 3.02Å; L452-F474 VanDerWaalsContact O-CZ 3.3Å; L452-F474 WeakPolarHBondContact O-CZ 2.86Å
453S89.8Confident92.1Very high58 Ų5835.2 Ų35.241%0.40619%0.188SC..THydrogen-bonded Turntrans-55.1-25.6-173.160.80000115.2Q451Q451-S453 PolarHBondContact O-N 3.3Å
454N92.3Very high92.3Very high70 Ų7037.3 Ų37.337%0.37420%0.201SC..THydrogen-bonded Turntrans-91.4-2179.5-65.2-42.1000114.3V430 L432 E433 L452 R456V430-N454 PolarHBondContact O-ND2 2.8Å; L432-N454 CarbonylContact O-C 3.6Å; E433-N454 HydrophobicContact CG-CB 4.3Å; L452-N454 PolarHBondContact O-N 3.45Å; N454-R456 WeakPolarHBondContact O-CG 3.47Å; N454-R456 PolarHBondContact O-N 3.46Å; N454-R456 VanDerWaalsContact O-N 3.11Å
455L94.6Very high92.3Very high1 Ų133.6 Ų33.61%0.00518%0.179CC..  trans-63.8115.4-177.7-173.370.8000110.9L432 L435 I449 L452 L475L432-L455 PolarHBondContact O-N 3.3Å; L435-L455 HydrophobicContact CB-CD1 3.87Å; I449-L455 HydrophobicContact CD1-CD2 4Å; I449-L455 HydrophobicContact CG1-CD2 4.25Å; L452-L455 HydrophobicContact CB-CB 4.02Å; L452-L455 HydrophobicContact CD1-CD2 4.46Å; L452-L455 VanDerWaalsContact O-CB 3.28Å; L452-L455 WeakPolarHBondContact O-CB 3.45Å; L452-L455 PolarHBondContact O-N 3.02Å; L455-L475 HydrophobicContact CD2-CD2 4.06Å
456R94.3Very high92.3Very high95 Ų9540.3 Ų40.336%0.35821%0.208SC..  trans-113.9-24.1177.9-60.7-51.9-177.2-168.6-6.3113E433 N454 N478 K480 S481E433-R456 PolarHBondContact O-N 2.87Å; N454-R456 WeakPolarHBondContact O-CG 3.47Å; N454-R456 PolarHBondContact O-N 3.46Å; N454-R456 VanDerWaalsContact O-N 3.11Å; R456-N478 PolarHBondContact NH1-O 3.47Å; R456-K480 PolarHBondContact O-N 3.39Å; R456-S481 PolarHBondContact O-N 3.14Å; R456-S481 VanDerWaalsContact O-N 3.07Å
457E96.1Very high92.3Very high9 Ų940.8 Ų40.84%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-137.9134.9-169.4-173.3174.8151.700111.8K411 E433 V434 L435 W459 S481 H483K411-E457 IonicContact NZ-OE2 3.52Å; K411-E457 PolarHBondContact NZ-OE2 3.48Å; E433-E457 PolarHBondContact O-N 3.3Å; E433-E457 VanDerWaalsContact O-N 3.12Å; V434-E457 WeakPolarHBondContact CA-O 3.48Å; V434-E457 HydrophobicContact CB-CB 4.38Å; V434-E457 HydrophobicContact CG1-CB 4.1Å; V434-E457 HydrophobicContact CG1-CG 4.01Å; V434-E457 HydrophobicContact CG2-CB 4.03Å; L435-E457 PolarHBondContact N-O 3.13Å; E457-W459 WeakPolarHBondContact OE1-CZ2 3.38Å; E457-W459 PolarHBondContact OE1-NE1 2.71Å; E457-S481 WeakPolarHBondContact CA-O 3.49Å; E457-H483 IonicContact OE1-CD2 2.78Å; E457-H483 IonicContact OE1-NE2 3.2Å
458M95.7Very high92.2Very high1 Ų143.5 Ų43.51%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-133.7136.6-178.7-175.7175.9-108.300110.7L435 I445 I449 L460 L479 S481 L482 H483L435-M458 HydrophobicContact CD2-CE 3.89Å; L435-M458 CarbonylContact O-C 3.57Å; L435-M458 WeakPolarHBondContact O-CA 3.43Å; I445-M458 HydrophobicContact CD1-CE 4Å; I445-M458 HydrophobicContact CD1-SD 4.18Å; I449-M458 HydrophobicContact CD1-CE 3.86Å; M458-L460 HydrophobicContact CG-CD2 4.19Å; M458-L460 HydrophobicContact CG-CG 4.39Å; M458-L460 HydrophobicContact SD-CD2 4.17Å; M458-L479 HydrophobicContact CB-CD1 3.76Å; M458-L479 HydrophobicContact CB-CD2 4.37Å; M458-S481 PolarHBondContact N-O 3.43Å; M458-S481 VanDerWaalsContact N-O 3.12Å; M458-L482 HydrophobicContact CB-CD1 4.16Å; M458-L482 HydrophobicContact CG-CD1 4.44Å; M458-L482 WeakPolarHBondContact O-CA 3.38Å; M458-H483 PolarHBondContact O-N 3.47Å
459W96.7Very high92.2Very high47 Ų4744.3 Ų44.318%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-119.8123.7178.6-5642.6000109.3L435 K436 L437 E457 Y461 H483L435-W459 PolarHBondContact O-N 2.77Å; K436-W459 HydrophobicContact CB-CB 3.97Å; K436-W459 HydrophobicContact CB-CG 4.29Å; K436-W459 HydrophobicContact CD-CD2 3.84Å; K436-W459 HydrophobicContact CD-CE3 3.95Å; K436-W459 HydrophobicContact CD-CG 4.09Å; K436-W459 HydrophobicContact CG-CB 3.86Å; K436-W459 HydrophobicContact CG-CD2 3.94Å; K436-W459 HydrophobicContact CG-CE3 4.45Å; K436-W459 HydrophobicContact CG-CG 3.62Å; L437-W459 PolarHBondContact N-O 3.07Å; E457-W459 WeakPolarHBondContact OE1-CZ2 3.38Å; E457-W459 PolarHBondContact OE1-NE1 2.71Å; W459-Y461 HydrophobicContact CB-CD1 4.3Å; W459-Y461 HydrophobicContact CB-CE1 4.22Å; W459-Y461 HydrophobicContact CD2-CE1 4.39Å; W459-Y461 AromaticContact CE3-CE1 3.66Å; W459-Y461 HydrophobicContact CE3-CE1 3.66Å; W459-Y461 HydrophobicContact CE3-CE2 4.02Å; W459-Y461 AromaticContact CE3-CZ 3.34Å; W459-Y461 HydrophobicContact CZ3-CE1 4.41Å; W459-Y461 HydrophobicContact CZ3-CE2 4.33Å; W459-Y461 AromaticContact CZ3-CZ 3.71Å; W459-Y461 WeakPolarHBondContact CZ3-OH 3.49Å; W459-H483 CarbonylContact C-O 3.14Å; W459-H483 WeakPolarHBondContact CA-O 3.35Å; W459-H483 HydrophobicContact CB-CB 4.09Å; W459-H483 AromaticContact CD1-CD2 3.93Å; W459-H483 HydrophobicContact CD2-CB 3.85Å; W459-H483 AromaticContact CD2-CG 3.84Å; W459-H483 AromaticContact CE2-CD2 3.7Å; W459-H483 AromaticContact CE2-CG 3.73Å; W459-H483 AromaticContact CE2-ND1 3.96Å; W459-H483 AromaticContact CE2-NE2 3.95Å; W459-H483 HydrophobicContact CE3-CB 4.3Å; W459-H483 HydrophobicContact CG-CB 3.78Å; W459-H483 AromaticContact CZ2-CE1 3.76Å; W459-H483 AromaticContact CZ2-ND1 3.89Å; W459-H483 AromaticContact CZ2-NE2 3.94Å; W459-H483 AromaticContact NE1-CD2 3.54Å; W459-H483 AromaticContact NE1-CG 3.96Å; W459-H483 AromaticContact NE1-NE2 3.96Å
460L95.7Very high92.1Very high2 Ų248 Ų481%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-116.895.2179.3-60.6-179.1000108.6L437 M458 T463 A465 L482 H483 I484 K485 P493 W495L437-L460 HydrophobicContact CB-CD2 4.41Å; L437-L460 HydrophobicContact CD1-CD2 3.93Å; M458-L460 HydrophobicContact CG-CD2 4.19Å; M458-L460 HydrophobicContact CG-CG 4.39Å; M458-L460 HydrophobicContact SD-CD2 4.17Å; L460-T463 VanDerWaalsContact CA-OG1 3.23Å; L460-T463 WeakPolarHBondContact CA-OG1 3.33Å; L460-T463 WeakPolarHBondContact CB-OG1 3.42Å; L460-A465 HydrophobicContact CD1-CB 4.23Å; L460-A465 HydrophobicContact CD2-CB 4.41Å; L460-L482 HydrophobicContact CD1-CD1 4.3Å; L460-L482 HydrophobicContact CG-CD1 4.44Å; L460-H483 PolarHBondContact N-O 3.05Å; L460-I484 WeakPolarHBondContact O-CA 3.48Å; L460-K485 PolarHBondContact O-N 2.75Å; L460-P493 HydrophobicContact CD1-CG 4.42Å; L460-W495 HydrophobicContact CD1-CH2 4.07Å; L460-W495 HydrophobicContact CD1-CZ2 4.05Å
461Y95.6Very high92.2Very high49 Ų4945.5 Ų45.519%0.19224%0.238CC..EExtended strand (participates in β ladder)trans-107.6102.2-174.1-81.221.7000110.7L437 E438 L439 W459 T463 H483 K485L437-Y461 PolarHBondContact O-N 3.31Å; E438-Y461 WeakPolarHBondContact CA-O 3.05Å; L439-Y461 PolarHBondContact N-O 3.41Å; W459-Y461 HydrophobicContact CB-CD1 4.3Å; W459-Y461 HydrophobicContact CB-CE1 4.22Å; W459-Y461 HydrophobicContact CD2-CE1 4.39Å; W459-Y461 AromaticContact CE3-CE1 3.66Å; W459-Y461 HydrophobicContact CE3-CE1 3.66Å; W459-Y461 HydrophobicContact CE3-CE2 4.02Å; W459-Y461 AromaticContact CE3-CZ 3.34Å; W459-Y461 HydrophobicContact CZ3-CE1 4.41Å; W459-Y461 HydrophobicContact CZ3-CE2 4.33Å; W459-Y461 AromaticContact CZ3-CZ 3.71Å; W459-Y461 WeakPolarHBondContact CZ3-OH 3.49Å; Y461-T463 PolarHBondContact N-OG1 3.2Å; Y461-T463 WeakPolarHBondContact O-CG2 3.15Å; Y461-T463 PolarHBondContact O-N 3.12Å; Y461-H483 HydrophobicContact CE1-CB 4.15Å; Y461-K485 HydrophobicContact CD1-CB 3.51Å; Y461-K485 HydrophobicContact CD2-CB 4.37Å; Y461-K485 HydrophobicContact CD2-CD 3.99Å; Y461-K485 HydrophobicContact CE1-CB 3.81Å; Y461-K485 HydrophobicContact CE2-CD 4.17Å; Y461-K485 HydrophobicContact CG-CB 3.8Å; Y461-K485 HydrophobicContact CG-CD 4.18Å
462H93.6Very high92.2Very high45 Ų4543 Ų4321%0.20823%0.227CC..SBendtrans5439.3-174-55.3-69.4000111.7L439 K485 T487 E491L439-H462 HydrophobicContact CD2-CB 3.8Å; H462-K485 PolarHBondContact N-O 3.29Å; H462-K485 VanDerWaalsContact NE2-CE 3.32Å; H462-K485 WeakPolarHBondContact NE2-CE 3.29Å; H462-T487 PolarHBondContact ND1-OG1 3.34Å; H462-E491 IonicContact ND1-OE2 2.69Å
463T92.3Very high92.3Very high4 Ų445.5 Ų45.53%0.02525%0.248CC..  trans-12595.6-177.457.50000109.5L437 I440 L460 Y461 A465L437-T463 HydrophobicContact CB-CG2 4.21Å; I440-T463 HydrophobicContact CB-CG2 3.98Å; I440-T463 HydrophobicContact CG1-CG2 4.35Å; I440-T463 VanDerWaalsContact N-CG2 3.31Å; L460-T463 VanDerWaalsContact CA-OG1 3.23Å; L460-T463 WeakPolarHBondContact CA-OG1 3.33Å; L460-T463 WeakPolarHBondContact CB-OG1 3.42Å; Y461-T463 PolarHBondContact N-OG1 3.2Å; Y461-T463 WeakPolarHBondContact O-CG2 3.15Å; Y461-T463 PolarHBondContact O-N 3.12Å; T463-A465 PolarHBondContact O-N 3.28Å
464P87.9Confident92.4Very high47 Ų4743.9 Ų43.931%0.30523%0.234SC..  trans-66.2118.1172.728-32.3000108.5V443V443-P464 PolarHBondContact N-O 2.91Å
465A89.1Confident92.5Very high7 Ų740.6 Ų40.66%0.05822%0.216CC..EExtended strand (participates in β ladder)trans-113.9122.7-174.500000111.4V443 I445 L460 T463 P493 W495V443-A465 HydrophobicContact CB-CB 4.46Å; V443-A465 HydrophobicContact CG1-CB 4.33Å; V443-A465 CarbonylContact O-C 3.6Å; V443-A465 WeakPolarHBondContact O-CA 3.22Å; I445-A465 HydrophobicContact CD1-CB 4.31Å; L460-A465 HydrophobicContact CD1-CB 4.23Å; L460-A465 HydrophobicContact CD2-CB 4.41Å; T463-A465 PolarHBondContact O-N 3.28Å; A465-P493 HydrophobicContact CB-CG 4.43Å; A465-W495 HydrophobicContact CB-CZ2 4.17Å; A465-W495 PolarHBondContact O-NE1 2.81Å
466K90Very high92.4Very high142 Ų14245.4 Ų45.462%0.61723%0.234SC*.EExtended strand (participates in β ladder)trans-92.6148.7165.3-64.2176.3-172.6168.30108.8V443 T444 I445V443-K466 PolarHBondContact O-N 3.09Å; T444-K466 WeakPolarHBondContact CA-O 3.33Å; T444-K466 HydrophobicContact CG2-CB 4.12Å; I445-K466 PolarHBondContact N-O 3.05Å
467I90.5Very high92.2Very high31 Ų3147.2 Ų47.216%0.15925%0.247CC..EExtended strand (participates in β ladder)trans-138.1140.4-179.1-164.6164.4000110.3I445 A471 L472 L475 W495I445-I467 HydrophobicContact CB-CD1 4.38Å; I445-I467 HydrophobicContact CB-CG1 4.15Å; I445-I467 HydrophobicContact CD1-CD1 4.39Å; I445-I467 HydrophobicContact CG2-CD1 4.4Å; I467-A471 HydrophobicContact CD1-CB 3.91Å; I467-A471 HydrophobicContact CG1-CB 3.59Å; I467-L472 HydrophobicContact CD1-CB 4.21Å; I467-L472 HydrophobicContact CD1-CD1 4.33Å; I467-L472 HydrophobicContact CG1-CB 4.32Å; I467-L472 HydrophobicContact CG2-CB 4.19Å; I467-L472 HydrophobicContact CG2-CD1 4.12Å; I467-L475 HydrophobicContact CD1-CD1 3.33Å; I467-L475 HydrophobicContact CD1-CG 4.14Å; I467-W495 HydrophobicContact CG2-CB 3.88Å; I467-W495 VanDerWaalsContact CG2-CD1 3.42Å; I467-W495 HydrophobicContact CG2-CD2 3.76Å; I467-W495 HydrophobicContact CG2-CG 3.42Å; I467-W495 VanDerWaalsContact CG2-CG 3.42Å
468E86.7Confident92Very high99 Ų9948.3 Ų48.346%0.46325%0.253SS..  trans-83.7157.7173.7-64.7178.2-163.600111.4P470 A471 L472E468-P470 VanDerWaalsContact C-CD 3.46Å; E468-A471 PolarHBondContact O-N 2.74Å; E468-L472 WeakPolarHBondContact O-CB 3.29Å; E468-L472 PolarHBondContact O-N 2.78Å
469A88.5Confident92Very high79 Ų7948.3 Ų48.365%0.65325%0.253SS*.Hα-helixtrans-56.1-40.6-176.400000114.6L472 A473A469-L472 PolarHBondContact O-N 3.44Å; A469-A473 PolarHBondContact O-N 3.33Å; A469-A473 VanDerWaalsContact O-N 3.07Å
470P90.8Very high91.9Very high78 Ų7849.9 Ų49.951%0.50626%0.261SS..Hα-helixtrans-68.2-42.9178.9-17.331000112.7P447 E468 L472 A473 F474P447-P470 HydrophobicContact CB-CB 4.03Å; P447-P470 HydrophobicContact CB-CG 4.47Å; E468-P470 VanDerWaalsContact C-CD 3.46Å; P470-L472 VanDerWaalsContact C-N 3.28Å; P470-L472 PolarHBondContact O-N 2.76Å; P470-A473 WeakPolarHBondContact O-CB 3.3Å; P470-A473 PolarHBondContact O-N 3.46Å; P470-F474 PolarHBondContact O-N 2.91Å
471A91.6Very high91.9Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-61.2-39.3174.900000111.4I445 I449 I467 E468 A473 F474 L475I445-A471 HydrophobicContact CG2-CB 4.37Å; I449-A471 HydrophobicContact CG2-CB 3.76Å; I467-A471 HydrophobicContact CD1-CB 3.91Å; I467-A471 HydrophobicContact CG1-CB 3.59Å; E468-A471 PolarHBondContact O-N 2.74Å; A471-A473 PolarHBondContact O-N 3.2Å; A471-F474 PolarHBondContact O-N 2.64Å; A471-L475 PolarHBondContact O-N 2.99Å
472L93.3Very high92Very high38 Ų3847.7 Ų47.720%0.19925%0.253CS..Hα-helixtrans-65.1-38.6177.5-174.960.7000112.5I467 E468 A469 P470 F474 L475 R476 W495 S498 L499I467-L472 HydrophobicContact CD1-CB 4.21Å; I467-L472 HydrophobicContact CD1-CD1 4.33Å; I467-L472 HydrophobicContact CG1-CB 4.32Å; I467-L472 HydrophobicContact CG2-CB 4.19Å; I467-L472 HydrophobicContact CG2-CD1 4.12Å; E468-L472 WeakPolarHBondContact O-CB 3.29Å; E468-L472 PolarHBondContact O-N 2.78Å; A469-L472 PolarHBondContact O-N 3.44Å; P470-L472 VanDerWaalsContact C-N 3.28Å; P470-L472 PolarHBondContact O-N 2.76Å; L472-F474 VanDerWaalsContact C-N 3.32Å; L472-F474 PolarHBondContact O-N 2.97Å; L472-L475 PolarHBondContact O-N 3.03Å; L472-R476 WeakPolarHBondContact O-CB 3.37Å; L472-R476 PolarHBondContact O-N 3.16Å; L472-W495 HydrophobicContact CD1-CB 4.04Å; L472-W495 HydrophobicContact CD1-CD2 4.47Å; L472-W495 HydrophobicContact CD1-CE3 4.03Å; L472-W495 HydrophobicContact CD2-CB 4.34Å; L472-S498 WeakPolarHBondContact CD1-OG 3.41Å; L472-L499 HydrophobicContact CD1-CD2 4.28Å
473A92.3Very high92.1Very high54 Ų5446.5 Ų46.545%0.44625%0.247SC..Hα-helixtrans-59.9-45175.700000111.1A469 P470 A471 R476 E477A469-A473 PolarHBondContact O-N 3.33Å; A469-A473 VanDerWaalsContact O-N 3.07Å; P470-A473 WeakPolarHBondContact O-CB 3.3Å; P470-A473 PolarHBondContact O-N 3.46Å; A471-A473 PolarHBondContact O-N 3.2Å; A473-R476 PolarHBondContact O-N 2.86Å; A473-E477 PolarHBondContact O-N 3.39Å
474F93.7Very high92.2Very high24 Ų2446.6 Ų46.611%0.10525%0.248CC..Hα-helixtrans-61.4-50.2175.7172.3-98.5000112.9I449 A450 L452 P470 A471 L472 R476 E477 N478I449-F474 HydrophobicContact CG1-CD1 4.43Å; I449-F474 HydrophobicContact CG1-CE1 4.29Å; I449-F474 HydrophobicContact CG2-CD1 4.04Å; I449-F474 WeakPolarHBondContact O-CE1 3.12Å; A450-F474 HydrophobicContact CB-CB 4.2Å; A450-F474 HydrophobicContact CB-CD2 3.97Å; A450-F474 HydrophobicContact CB-CG 4.04Å; L452-F474 VanDerWaalsContact O-CZ 3.3Å; L452-F474 WeakPolarHBondContact O-CZ 2.86Å; P470-F474 PolarHBondContact O-N 2.91Å; A471-F474 PolarHBondContact O-N 2.64Å; L472-F474 VanDerWaalsContact C-N 3.32Å; L472-F474 PolarHBondContact O-N 2.97Å; F474-R476 VanDerWaalsContact C-N 3.29Å; F474-R476 PolarHBondContact O-N 3.5Å; F474-E477 PolarHBondContact O-N 2.87Å; F474-N478 VanDerWaalsContact CD2-ND2 3.3Å; F474-N478 WeakPolarHBondContact CD2-ND2 3.34Å; F474-N478 HydrophobicContact CE2-CB 4.42Å; F474-N478 WeakPolarHBondContact CE2-ND2 3.31Å; F474-N478 HydrophobicContact CZ-CB 4.2Å; F474-N478 PolarHBondContact O-N 3.07Å; F474-N478 VanDerWaalsContact O-N 3.14Å; F474-N478 PolarHBondContact O-ND2 2.97Å; F474-N478 VanDerWaalsContact O-ND2 3.14Å
475L93.4Very high92.6Very high1 Ų147.7 Ų47.71%0.00525%0.248CC..Hα-helixtrans-63.6-36.2-179.9-71.3-172.3000112.2I449 L455 I467 A471 L472 E477 N478 L479 W495 L499I449-L475 HydrophobicContact CD1-CD2 3.9Å; L455-L475 HydrophobicContact CD2-CD2 4.06Å; I467-L475 HydrophobicContact CD1-CD1 3.33Å; I467-L475 HydrophobicContact CD1-CG 4.14Å; A471-L475 PolarHBondContact O-N 2.99Å; L472-L475 PolarHBondContact O-N 3.03Å; L475-E477 PolarHBondContact O-N 3.19Å; L475-N478 PolarHBondContact O-N 2.99Å; L475-L479 WeakPolarHBondContact O-CB 3.42Å; L475-L479 PolarHBondContact O-N 3.37Å; L475-W495 HydrophobicContact CD1-CH2 4.48Å; L475-W495 HydrophobicContact CD1-CZ3 4.27Å; L475-L499 HydrophobicContact CB-CD2 3.99Å
476R92.4Very high92.7Very high102 Ų10247.6 Ų47.639%0.38525%0.246SC..Hα-helixtrans-61.7-29.5178.7176.9172.4168.1-173.7-15.2112.9L472 A473 F474 S498 L499 K500 N501L472-R476 WeakPolarHBondContact O-CB 3.37Å; L472-R476 PolarHBondContact O-N 3.16Å; A473-R476 PolarHBondContact O-N 2.86Å; F474-R476 VanDerWaalsContact C-N 3.29Å; F474-R476 PolarHBondContact O-N 3.5Å; R476-S498 VanDerWaalsContact CD-O 3.24Å; R476-S498 WeakPolarHBondContact CD-O 3.26Å; R476-S498 WeakPolarHBondContact CG-O 3.5Å; R476-L499 HydrophobicContact CB-CD2 4.34Å; R476-K500 VanDerWaalsContact NH2-NZ 3.16Å; R476-N501 WeakPolarHBondContact O-CB 3.17Å
477E90.3Very high92.6Very high132 Ų13245.5 Ų45.562%0.61725%0.245SC*.Hα-helixtrans-87.2-40.9178.7-68.4-176.6176.500112.5A473 F474 L475 N501A473-E477 PolarHBondContact O-N 3.39Å; F474-E477 PolarHBondContact O-N 2.87Å; L475-E477 PolarHBondContact O-N 3.19Å; E477-N501 PolarHBondContact O-ND2 3.34Å
478N91.5Very high92.2Very high32 Ų3247.4 Ų47.417%0.17126%0.256CS..Hα-helixtrans-98.7-31.5-166.2-70.5-64000115.5R456 F474 L475 K480R456-N478 PolarHBondContact NH1-O 3.47Å; F474-N478 VanDerWaalsContact CD2-ND2 3.3Å; F474-N478 WeakPolarHBondContact CD2-ND2 3.34Å; F474-N478 HydrophobicContact CE2-CB 4.42Å; F474-N478 WeakPolarHBondContact CE2-ND2 3.31Å; F474-N478 HydrophobicContact CZ-CB 4.2Å; F474-N478 PolarHBondContact O-N 3.07Å; F474-N478 VanDerWaalsContact O-N 3.14Å; F474-N478 PolarHBondContact O-ND2 2.97Å; F474-N478 VanDerWaalsContact O-ND2 3.14Å; L475-N478 PolarHBondContact O-N 2.99Å; N478-K480 PolarHBondContact O-N 3.31Å
479L95.2Very high91.9Very high1 Ų143 Ų431%0.00524%0.235CC..  trans-73.8126.5-172.3-161.671.9000111.3M458 L475 L482 L499 L502M458-L479 HydrophobicContact CB-CD1 3.76Å; M458-L479 HydrophobicContact CB-CD2 4.37Å; L475-L479 WeakPolarHBondContact O-CB 3.42Å; L475-L479 PolarHBondContact O-N 3.37Å; L479-L482 HydrophobicContact CD2-CB 4.21Å; L479-L482 HydrophobicContact CD2-CD1 4.2Å; L479-L499 HydrophobicContact CD2-CD1 3.96Å; L479-L502 HydrophobicContact CD2-CD1 4.29Å; L479-L502 HydrophobicContact CG-CD1 4.33Å
480K95.1Very high91.6Very high81 Ų8147.1 Ų47.135%0.35224%0.238SC..  trans-109-36.9-179.4-64.5-60.4179.6-171.40112.8R456 N478 S503 E504R456-K480 PolarHBondContact O-N 3.39Å; N478-K480 PolarHBondContact O-N 3.31Å; K480-S503 PolarHBondContact O-N 3.19Å; K480-S503 PolarHBondContact O-OG 3.48Å; K480-E504 PolarHBondContact O-N 2.99Å
481S96.3Very high91.3Very high4 Ų445.2 Ų45.23%0.02822%0.223CC..EExtended strand (participates in β ladder)trans-127.4136.1178.4179.20000111.5R456 E457 M458 H483 E504R456-S481 PolarHBondContact O-N 3.14Å; R456-S481 VanDerWaalsContact O-N 3.07Å; E457-S481 WeakPolarHBondContact CA-O 3.49Å; M458-S481 PolarHBondContact N-O 3.43Å; M458-S481 VanDerWaalsContact N-O 3.12Å; S481-H483 PolarHBondContact OG-CD2 3.24Å; S481-H483 PolarHBondContact OG-NE2 3.28Å; S481-H483 VanDerWaalsContact OG-NE2 3.16Å; S481-E504 WeakPolarHBondContact CA-O 3.29Å
482L96.7Very high91.1Very high0 Ų045.5 Ų45.50%022%0.224CC..EExtended strand (participates in β ladder)trans-131.1125.5178.2-179.563.2000110.1M458 L460 L479 I484 I496 L499 L502 E504 L505 H506M458-L482 HydrophobicContact CB-CD1 4.16Å; M458-L482 HydrophobicContact CG-CD1 4.44Å; M458-L482 WeakPolarHBondContact O-CA 3.38Å; L460-L482 HydrophobicContact CD1-CD1 4.3Å; L460-L482 HydrophobicContact CG-CD1 4.44Å; L479-L482 HydrophobicContact CD2-CB 4.21Å; L479-L482 HydrophobicContact CD2-CD1 4.2Å; L482-I484 HydrophobicContact CD1-CG1 4.38Å; L482-I484 HydrophobicContact CD2-CD1 3.91Å; L482-I484 HydrophobicContact CD2-CG1 4.2Å; L482-I484 HydrophobicContact CG-CD1 4.2Å; L482-I484 HydrophobicContact CG-CG1 3.93Å; L482-I496 HydrophobicContact CD2-CB 4.05Å; L482-I496 HydrophobicContact CD2-CG2 3.62Å; L482-L499 HydrophobicContact CD2-CD1 4.04Å; L482-L502 HydrophobicContact CB-CD1 3.71Å; L482-L502 HydrophobicContact CB-CD2 4.2Å; L482-E504 PolarHBondContact N-O 3.3Å; L482-L505 HydrophobicContact CB-CD1 4.18Å; L482-L505 HydrophobicContact CD2-CD1 4.22Å; L482-L505 HydrophobicContact CG-CD1 4.3Å; L482-H506 PolarHBondContact O-N 2.95Å
483H96.6Very high90.9Very high21 Ų2144.3 Ų44.310%0.09722%0.218CC..EExtended strand (participates in β ladder)trans-111.3123.1176.2-64.5-111.7000109.6E457 M458 W459 L460 Y461 S481 H506E457-H483 IonicContact OE1-CD2 2.78Å; E457-H483 IonicContact OE1-NE2 3.2Å; M458-H483 PolarHBondContact O-N 3.47Å; W459-H483 CarbonylContact C-O 3.14Å; W459-H483 WeakPolarHBondContact CA-O 3.35Å; W459-H483 HydrophobicContact CB-CB 4.09Å; W459-H483 AromaticContact CD1-CD2 3.93Å; W459-H483 HydrophobicContact CD2-CB 3.85Å; W459-H483 AromaticContact CD2-CG 3.84Å; W459-H483 AromaticContact CE2-CD2 3.7Å; W459-H483 AromaticContact CE2-CG 3.73Å; W459-H483 AromaticContact CE2-ND1 3.96Å; W459-H483 AromaticContact CE2-NE2 3.95Å; W459-H483 HydrophobicContact CE3-CB 4.3Å; W459-H483 HydrophobicContact CG-CB 3.78Å; W459-H483 AromaticContact CZ2-CE1 3.76Å; W459-H483 AromaticContact CZ2-ND1 3.89Å; W459-H483 AromaticContact CZ2-NE2 3.94Å; W459-H483 AromaticContact NE1-CD2 3.54Å; W459-H483 AromaticContact NE1-CG 3.96Å; W459-H483 AromaticContact NE1-NE2 3.96Å; L460-H483 PolarHBondContact N-O 3.05Å; Y461-H483 HydrophobicContact CE1-CB 4.15Å; S481-H483 PolarHBondContact OG-CD2 3.24Å; S481-H483 PolarHBondContact OG-NE2 3.28Å; S481-H483 VanDerWaalsContact OG-NE2 3.16Å; H483-H506 HydrophobicContact CB-CB 4.3Å; H483-H506 AromaticContact CD2-CD2 3.96Å; H483-H506 AromaticContact CE1-CD2 3.26Å; H483-H506 PolarHBondContact CE1-CD2 2.98Å; H483-H506 AromaticContact CE1-CE1 3.73Å; H483-H506 AromaticContact CE1-CG 3.36Å; H483-H506 AromaticContact CE1-ND1 3.64Å; H483-H506 AromaticContact CE1-NE2 3.54Å; H483-H506 WeakPolarHBondContact ND1-CB 3.43Å; H483-H506 AromaticContact ND1-CD2 3.67Å; H483-H506 AromaticContact ND1-CG 3.4Å; H483-H506 AromaticContact ND1-ND1 3.9Å; H483-H506 AromaticContact NE2-CD2 3.43Å; H483-H506 PolarHBondContact NE2-CD2 3.24Å; H483-H506 AromaticContact NE2-CG 3.97Å; H483-H506 AromaticContact NE2-NE2 3.76Å
484I94.8Very high90.7Very high5 Ų547.2 Ų47.23%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-123.7121177.9-47.4-179.2000108L460 L482 F486 I492 I496 H506 L507 T508L460-I484 WeakPolarHBondContact O-CA 3.48Å; L482-I484 HydrophobicContact CD1-CG1 4.38Å; L482-I484 HydrophobicContact CD2-CD1 3.91Å; L482-I484 HydrophobicContact CD2-CG1 4.2Å; L482-I484 HydrophobicContact CG-CD1 4.2Å; L482-I484 HydrophobicContact CG-CG1 3.93Å; I484-F486 HydrophobicContact CG2-CD1 4.02Å; I484-I492 HydrophobicContact CD1-CG2 4.43Å; I484-I496 HydrophobicContact CD1-CD1 3.86Å; I484-I496 HydrophobicContact CD1-CG2 3.98Å; I484-H506 PolarHBondContact N-O 3.11Å; I484-L507 HydrophobicContact CB-CD2 3.98Å; I484-L507 HydrophobicContact CD1-CD2 3.96Å; I484-L507 HydrophobicContact CG1-CD2 4.21Å; I484-T508 PolarHBondContact O-N 2.87Å
485K95Very high90.5Very high71 Ų7147.5 Ų47.531%0.30923%0.227SC..EExtended strand (participates in β ladder)trans-114.2124.5169.3-174.4-175.7176.8-165.80108.2L460 Y461 H462 T508L460-K485 PolarHBondContact O-N 2.75Å; Y461-K485 HydrophobicContact CD1-CB 3.51Å; Y461-K485 HydrophobicContact CD2-CB 4.37Å; Y461-K485 HydrophobicContact CD2-CD 3.99Å; Y461-K485 HydrophobicContact CE1-CB 3.81Å; Y461-K485 HydrophobicContact CE2-CD 4.17Å; Y461-K485 HydrophobicContact CG-CB 3.8Å; Y461-K485 HydrophobicContact CG-CD 4.18Å; H462-K485 PolarHBondContact N-O 3.29Å; H462-K485 VanDerWaalsContact NE2-CE 3.32Å; H462-K485 WeakPolarHBondContact NE2-CE 3.29Å; K485-T508 CarbonylContact C-O 3.41Å; K485-T508 WeakPolarHBondContact CA-O 3.12Å; K485-T508 HydrophobicContact CG-CG2 4.11Å
486F91.1Very high90.4Very high5 Ų547.5 Ų47.52%0.02223%0.227CC..  trans-139.8153.4-172.459.3-86000111.3I484 E491 I492 L507 T508 G509 L511I484-F486 HydrophobicContact CG2-CD1 4.02Å; F486-E491 WeakPolarHBondContact CA-OE2 3.41Å; F486-E491 HydrophobicContact CB-CB 4.07Å; F486-I492 HydrophobicContact CB-CG1 4.33Å; F486-I492 HydrophobicContact CD1-CD1 3.8Å; F486-I492 HydrophobicContact CD1-CG1 3.73Å; F486-I492 HydrophobicContact CD2-CD1 3.98Å; F486-I492 HydrophobicContact CD2-CG1 4.11Å; F486-I492 HydrophobicContact CE1-CD1 3.61Å; F486-I492 HydrophobicContact CE1-CG1 4.08Å; F486-I492 HydrophobicContact CE2-CD1 3.79Å; F486-I492 HydrophobicContact CE2-CG1 4.43Å; F486-I492 HydrophobicContact CG-CD1 4.01Å; F486-I492 HydrophobicContact CG-CG1 3.77Å; F486-I492 HydrophobicContact CZ-CD1 3.63Å; F486-I492 HydrophobicContact CZ-CG1 4.43Å; F486-L507 HydrophobicContact CE1-CB 4.33Å; F486-T508 WeakPolarHBondContact CD1-O 3.3Å; F486-T508 PolarHBondContact N-O 3.26Å; F486-G509 WeakPolarHBondContact O-CA 3.26Å; F486-L511 HydrophobicContact CE1-CD2 4.49Å; F486-L511 HydrophobicContact CE2-CD2 4Å; F486-L511 HydrophobicContact CZ-CD2 3.49Å; F486-L511 VanDerWaalsContact CZ-CD2 3.49Å; F486-L511 HydrophobicContact CZ-CG 3.94Å
487T88.3Confident90.2Very high98 Ų9844 Ų4460%0.60121%0.213SC*.SBendtrans-97.4-52.2172.419.60000110.9H462 E491H462-T487 PolarHBondContact ND1-OG1 3.34Å; T487-E491 PolarHBondContact N-OE2 3.25Å; T487-E491 VanDerWaalsContact N-OE2 3.1Å; T487-E491 PolarHBondContact OG1-OE1 3.31Å; T487-E491 PolarHBondContact OG1-OE2 3.2Å
488D83.6Confident90.2Very high71 Ų7139.4 Ų39.438%0.3820%0.196SC..SBendtrans-101.4146.2172.7-167.6-7000110.4K490 E491D488-K490 PolarHBondContact O-N 3.24Å; D488-K490 PolarHBondContact OD1-N 3.02Å; D488-E491 HydrophobicContact CB-CG 4.5Å; D488-E491 PolarHBondContact N-OE1 2.93Å; D488-E491 WeakPolarHBondContact O-CB 3.28Å; D488-E491 PolarHBondContact O-N 3.19Å; D488-E491 VanDerWaalsContact O-N 3.12Å
489I80.1Confident90.2Very high5 Ų537.9 Ų37.93%0.02619%0.188CC..G310 helixtrans-64.1-22.9177.8-142.8169.3000112E491 I492 L511 N516 V520I489-E491 PolarHBondContact O-N 3.09Å; I489-I492 HydrophobicContact CG1-CD1 3.91Å; I489-I492 WeakPolarHBondContact O-CB 3.39Å; I489-I492 PolarHBondContact O-N 3.14Å; I489-L511 HydrophobicContact CD1-CD2 4.28Å; I489-L511 HydrophobicContact CG1-CD2 4.44Å; I489-N516 HydrophobicContact CD1-CB 4.19Å; I489-N516 HydrophobicContact CG2-CB 3.83Å; I489-V520 HydrophobicContact CD1-CB 4.17Å; I489-V520 HydrophobicContact CD1-CG2 4.18Å; I489-V520 HydrophobicContact CG1-CB 4.13Å; I489-V520 HydrophobicContact CG1-CG1 4.23Å; I489-V520 HydrophobicContact CG1-CG2 3.98Å; I489-V520 HydrophobicContact CG2-CG2 4.46Å
490K80.9Confident89.9Confident166 Ų16643.3 Ų43.372%0.72221%0.212SC*.G310 helixtrans-68.2-20.9176-64.1178.6-175.1169.90113.4D488 I492D488-K490 PolarHBondContact O-N 3.24Å; D488-K490 PolarHBondContact OD1-N 3.02Å; K490-I492 PolarHBondContact O-N 3.4Å
491E84.6Confident89.7Confident38 Ų3842.7 Ų42.718%0.17821%0.212CC..G310 helixtrans-72.6-18.6175.7-65.2164.7-145.300111.7H462 F486 T487 D488 I489 P493H462-E491 IonicContact ND1-OE2 2.69Å; F486-E491 WeakPolarHBondContact CA-OE2 3.41Å; F486-E491 HydrophobicContact CB-CB 4.07Å; T487-E491 PolarHBondContact N-OE2 3.25Å; T487-E491 VanDerWaalsContact N-OE2 3.1Å; T487-E491 PolarHBondContact OG1-OE1 3.31Å; T487-E491 PolarHBondContact OG1-OE2 3.2Å; D488-E491 HydrophobicContact CB-CG 4.5Å; D488-E491 PolarHBondContact N-OE1 2.93Å; D488-E491 WeakPolarHBondContact O-CB 3.28Å; D488-E491 PolarHBondContact O-N 3.19Å; D488-E491 VanDerWaalsContact O-N 3.12Å; I489-E491 PolarHBondContact O-N 3.09Å; E491-P493 WeakPolarHBondContact O-CD 3.38Å
492I88.2Confident89.6Confident7 Ų742.5 Ų42.54%0.03621%0.211CC..SBendtrans-73.2115.8178.7-57.1174.8000108.8I484 F486 I489 K490 I496 L511 V520I484-I492 HydrophobicContact CD1-CG2 4.43Å; F486-I492 HydrophobicContact CB-CG1 4.33Å; F486-I492 HydrophobicContact CD1-CD1 3.8Å; F486-I492 HydrophobicContact CD1-CG1 3.73Å; F486-I492 HydrophobicContact CD2-CD1 3.98Å; F486-I492 HydrophobicContact CD2-CG1 4.11Å; F486-I492 HydrophobicContact CE1-CD1 3.61Å; F486-I492 HydrophobicContact CE1-CG1 4.08Å; F486-I492 HydrophobicContact CE2-CD1 3.79Å; F486-I492 HydrophobicContact CE2-CG1 4.43Å; F486-I492 HydrophobicContact CG-CD1 4.01Å; F486-I492 HydrophobicContact CG-CG1 3.77Å; F486-I492 HydrophobicContact CZ-CD1 3.63Å; F486-I492 HydrophobicContact CZ-CG1 4.43Å; I489-I492 HydrophobicContact CG1-CD1 3.91Å; I489-I492 WeakPolarHBondContact O-CB 3.39Å; I489-I492 PolarHBondContact O-N 3.14Å; K490-I492 PolarHBondContact O-N 3.4Å; I492-I496 HydrophobicContact CG2-CD1 3.66Å; I492-L511 HydrophobicContact CD1-CD2 4.34Å; I492-V520 HydrophobicContact CB-CG1 3.88Å; I492-V520 HydrophobicContact CD1-CG1 3.72Å; I492-V520 HydrophobicContact CG1-CG1 4.4Å; I492-V520 HydrophobicContact CG2-CG1 3.73Å
493P88.1Confident89.6Confident12 Ų1243.8 Ų43.88%0.07822%0.22CC..  trans-74.5134.5-176.9-14.730.3000112L460 A465 E491 W495 I496L460-P493 HydrophobicContact CD1-CG 4.42Å; A465-P493 HydrophobicContact CB-CG 4.43Å; E491-P493 WeakPolarHBondContact O-CD 3.38Å; P493-W495 VanDerWaalsContact CB-CD1 3.45Å; P493-W495 HydrophobicContact CB-CD2 4.08Å; P493-W495 VanDerWaalsContact CB-CE2 3.42Å; P493-W495 HydrophobicContact CB-CG 4.09Å; P493-W495 HydrophobicContact CB-CZ2 3.94Å; P493-W495 HydrophobicContact CG-CZ2 3.94Å; P493-W495 PolarHBondContact O-N 3.11Å; P493-I496 HydrophobicContact CB-CG2 4.41Å; P493-I496 VanDerWaalsContact O-CG1 3.29Å; P493-I496 WeakPolarHBondContact O-CG1 3.46Å; P493-I496 WeakPolarHBondContact O-CG2 3.37Å; P493-I496 PolarHBondContact O-N 3.4Å
494L88.3Confident89.5Confident116 Ų11646 Ų4661%0.60723%0.23SC*.G310 helixtrans-69.6-18.7-178.9-60.7177.9000113.7I496 Y497L494-I496 PolarHBondContact O-N 3.44Å; L494-Y497 HydrophobicContact CD2-CE2 4Å; L494-Y497 WeakPolarHBondContact O-CD2 3.24Å
495W90.3Very high89.6Confident30 Ų3045.8 Ų45.811%0.11423%0.229CC..G310 helixtrans-69.1-15.1179.355.9-104000113I445 L460 A465 I467 L472 L475 P493 Y497 S498 L499I445-W495 HydrophobicContact CD1-CZ2 4.45Å; L460-W495 HydrophobicContact CD1-CH2 4.07Å; L460-W495 HydrophobicContact CD1-CZ2 4.05Å; A465-W495 HydrophobicContact CB-CZ2 4.17Å; A465-W495 PolarHBondContact O-NE1 2.81Å; I467-W495 HydrophobicContact CG2-CB 3.88Å; I467-W495 VanDerWaalsContact CG2-CD1 3.42Å; I467-W495 HydrophobicContact CG2-CD2 3.76Å; I467-W495 HydrophobicContact CG2-CG 3.42Å; I467-W495 VanDerWaalsContact CG2-CG 3.42Å; L472-W495 HydrophobicContact CD1-CB 4.04Å; L472-W495 HydrophobicContact CD1-CD2 4.47Å; L472-W495 HydrophobicContact CD1-CE3 4.03Å; L472-W495 HydrophobicContact CD2-CB 4.34Å; L475-W495 HydrophobicContact CD1-CH2 4.48Å; L475-W495 HydrophobicContact CD1-CZ3 4.27Å; P493-W495 VanDerWaalsContact CB-CD1 3.45Å; P493-W495 HydrophobicContact CB-CD2 4.08Å; P493-W495 VanDerWaalsContact CB-CE2 3.42Å; P493-W495 HydrophobicContact CB-CG 4.09Å; P493-W495 HydrophobicContact CB-CZ2 3.94Å; P493-W495 HydrophobicContact CG-CZ2 3.94Å; P493-W495 PolarHBondContact O-N 3.11Å; W495-Y497 PolarHBondContact O-N 3.25Å; W495-S498 WeakPolarHBondContact O-CB 3.29Å; W495-S498 PolarHBondContact O-N 3.47Å; W495-S498 PolarHBondContact O-OG 2.95Å; W495-L499 HydrophobicContact CE3-CD1 4.4Å; W495-L499 HydrophobicContact CZ3-CD1 4.03Å
496I91.4Very high89.6Confident1 Ų143.8 Ų43.81%0.00522%0.22CC..G310 helixtrans-59.1-32.9179.470.2-178.2000112L482 I484 I492 P493 L494 S498 L499L482-I496 HydrophobicContact CD2-CB 4.05Å; L482-I496 HydrophobicContact CD2-CG2 3.62Å; I484-I496 HydrophobicContact CD1-CD1 3.86Å; I484-I496 HydrophobicContact CD1-CG2 3.98Å; I492-I496 HydrophobicContact CG2-CD1 3.66Å; P493-I496 HydrophobicContact CB-CG2 4.41Å; P493-I496 VanDerWaalsContact O-CG1 3.29Å; P493-I496 WeakPolarHBondContact O-CG1 3.46Å; P493-I496 WeakPolarHBondContact O-CG2 3.37Å; P493-I496 PolarHBondContact O-N 3.4Å; L494-I496 PolarHBondContact O-N 3.44Å; I496-S498 PolarHBondContact O-N 2.99Å; I496-L499 HydrophobicContact CB-CD1 4.49Å; I496-L499 VanDerWaalsContact O-CB 3.3Å; I496-L499 WeakPolarHBondContact O-CB 3.32Å; I496-L499 WeakPolarHBondContact O-CG 3.34Å; I496-L499 PolarHBondContact O-N 3.49Å
497Y88.5Confident89.7Confident27 Ų2744 Ų4411%0.10622%0.222CC..G310 helixtrans-72.1-14-179.4-47.3-59.1000113.1L494 W495 L499 V520 G523 L524 E526L494-Y497 HydrophobicContact CD2-CE2 4Å; L494-Y497 WeakPolarHBondContact O-CD2 3.24Å; W495-Y497 PolarHBondContact O-N 3.25Å; Y497-L499 VanDerWaalsContact C-N 3.32Å; Y497-V520 WeakPolarHBondContact OH-CG1 3.37Å; Y497-V520 PolarHBondContact OH-O 3.3Å; Y497-G523 WeakPolarHBondContact CB-O 3.35Å; Y497-G523 VanDerWaalsContact CD1-CA 3.47Å; Y497-G523 WeakPolarHBondContact CD1-O 3.27Å; Y497-L524 HydrophobicContact CD1-CD2 4.49Å; Y497-L524 HydrophobicContact CE1-CD2 4.12Å; Y497-L524 HydrophobicContact CE1-CG 4.43Å; Y497-E526 WeakPolarHBondContact O-CB 3.46Å
498S90.6Very high90Very high36 Ų3641 Ų4125%0.25220%0.203SC..G310 helixtrans-83.6-8.3175.175.90000113.3L472 R476 W495 I496 K500L472-S498 WeakPolarHBondContact CD1-OG 3.41Å; R476-S498 VanDerWaalsContact CD-O 3.24Å; R476-S498 WeakPolarHBondContact CD-O 3.26Å; R476-S498 WeakPolarHBondContact CG-O 3.5Å; W495-S498 WeakPolarHBondContact O-CB 3.29Å; W495-S498 PolarHBondContact O-N 3.47Å; W495-S498 PolarHBondContact O-OG 2.95Å; I496-S498 PolarHBondContact O-N 2.99Å; S498-K500 PolarHBondContact O-N 3.01Å
499L91.5Very high90.3Very high1 Ų138.2 Ų38.21%0.00519%0.192CC..  trans-77.782.4-178.5-59.1174.3000111.6L472 L475 R476 L479 L482 W495 I496 Y497 N501 L502 L527L472-L499 HydrophobicContact CD1-CD2 4.28Å; L475-L499 HydrophobicContact CB-CD2 3.99Å; R476-L499 HydrophobicContact CB-CD2 4.34Å; L479-L499 HydrophobicContact CD2-CD1 3.96Å; L482-L499 HydrophobicContact CD2-CD1 4.04Å; W495-L499 HydrophobicContact CE3-CD1 4.4Å; W495-L499 HydrophobicContact CZ3-CD1 4.03Å; I496-L499 HydrophobicContact CB-CD1 4.49Å; I496-L499 VanDerWaalsContact O-CB 3.3Å; I496-L499 WeakPolarHBondContact O-CB 3.32Å; I496-L499 WeakPolarHBondContact O-CG 3.34Å; I496-L499 PolarHBondContact O-N 3.49Å; Y497-L499 VanDerWaalsContact C-N 3.32Å; L499-N501 VanDerWaalsContact C-N 3.26Å; L499-N501 PolarHBondContact O-N 3.04Å; L499-L502 HydrophobicContact CB-CB 4.06Å; L499-L502 HydrophobicContact CD1-CD2 4.45Å; L499-L502 WeakPolarHBondContact O-CB 3.42Å; L499-L502 PolarHBondContact O-N 3.23Å; L499-L527 WeakPolarHBondContact O-CD2 3.48Å
500K87.5Confident90.5Very high115 Ų11541.3 Ų41.350%0.521%0.208SC..THydrogen-bonded Turntrans-63.8-24.3-174.2-63-167.8179.8-178.30115.3R476 S498 S529R476-K500 VanDerWaalsContact NH2-NZ 3.16Å; S498-K500 PolarHBondContact O-N 3.01Å; K500-S529 WeakPolarHBondContact O-CB 3.46Å; K500-S529 PolarHBondContact O-OG 3.26Å
501N91.6Very high90.4Very high68 Ų6833.5 Ų33.536%0.36418%0.175SC..THydrogen-bonded Turntrans-97.65.5-177.5-73.7-5.7000114.3R476 E477 L499 S503 S529R476-N501 WeakPolarHBondContact O-CB 3.17Å; E477-N501 PolarHBondContact O-ND2 3.34Å; L499-N501 VanDerWaalsContact C-N 3.26Å; L499-N501 PolarHBondContact O-N 3.04Å; N501-S503 PolarHBondContact O-N 3.33Å; N501-S529 WeakPolarHBondContact CA-OG 3.44Å
502L95.1Very high89.5Confident0 Ų033.7 Ų33.70%018%0.18CC..  trans-69.8116.5-178.2-169.774.2000111L479 L482 L499 L505 L527 S529 L530L479-L502 HydrophobicContact CD2-CD1 4.29Å; L479-L502 HydrophobicContact CG-CD1 4.33Å; L482-L502 HydrophobicContact CB-CD1 3.71Å; L482-L502 HydrophobicContact CB-CD2 4.2Å; L499-L502 HydrophobicContact CB-CB 4.06Å; L499-L502 HydrophobicContact CD1-CD2 4.45Å; L499-L502 WeakPolarHBondContact O-CB 3.42Å; L499-L502 PolarHBondContact O-N 3.23Å; L502-L505 HydrophobicContact CD2-CB 4.22Å; L502-L505 HydrophobicContact CD2-CD1 4.14Å; L502-L527 HydrophobicContact CD2-CD1 4.26Å; L502-L527 HydrophobicContact CD2-CD2 4.44Å; L502-S529 PolarHBondContact N-OG 3.46Å; L502-S529 CarbonylContact O-C 3.52Å; L502-S529 PolarHBondContact O-OG 2.93Å; L502-S529 VanDerWaalsContact O-OG 3.13Å; L502-L530 WeakPolarHBondContact O-CA 3.24Å; L502-L530 PolarHBondContact O-N 2.9Å
503S94.8Very high88.1Confident27 Ų2735.6 Ų35.619%0.18920%0.197CC..  trans-94.8-29.3-179.751.60000113.7K480 N501 K531 V532K480-S503 PolarHBondContact O-N 3.19Å; K480-S503 PolarHBondContact O-OG 3.48Å; N501-S503 PolarHBondContact O-N 3.33Å; S503-K531 PolarHBondContact O-N 3.37Å; S503-V532 PolarHBondContact O-N 3.06Å
504E96.2Very high86.6Confident68 Ų6843.2 Ų43.232%0.31823%0.231SC..EExtended strand (participates in β ladder)trans-129.7130.8-177-49.2-170164.200110.8K480 S481 L482 V532K480-E504 PolarHBondContact O-N 2.99Å; S481-E504 WeakPolarHBondContact CA-O 3.29Å; L482-E504 PolarHBondContact N-O 3.3Å; E504-V532 WeakPolarHBondContact CA-O 3.31Å; E504-V532 HydrophobicContact CB-CB 4.09Å; E504-V532 HydrophobicContact CG-CB 3.88Å; E504-V532 HydrophobicContact CG-CG2 3.93Å
505L95.7Very high84.9Confident0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-131.1124.6177.1-178.865.4000110.4L482 L502 L507 L524 L527 L530 V532 L533 R534L482-L505 HydrophobicContact CB-CD1 4.18Å; L482-L505 HydrophobicContact CD2-CD1 4.22Å; L482-L505 HydrophobicContact CG-CD1 4.3Å; L502-L505 HydrophobicContact CD2-CB 4.22Å; L502-L505 HydrophobicContact CD2-CD1 4.14Å; L505-L507 HydrophobicContact CD1-CD2 3.97Å; L505-L507 HydrophobicContact CD1-CG 4.44Å; L505-L507 HydrophobicContact CD2-CD1 4.19Å; L505-L507 HydrophobicContact CD2-CD2 4.35Å; L505-L507 HydrophobicContact CD2-CG 4.19Å; L505-L507 HydrophobicContact CG-CD2 4.14Å; L505-L507 HydrophobicContact CG-CG 4.06Å; L505-L524 HydrophobicContact CD2-CD2 3.37Å; L505-L527 HydrophobicContact CD2-CD1 4Å; L505-L530 HydrophobicContact CB-CD1 3.68Å; L505-L530 HydrophobicContact CB-CD2 4.5Å; L505-V532 PolarHBondContact N-O 3.47Å; L505-L533 HydrophobicContact CB-CD1 4.17Å; L505-L533 HydrophobicContact CD2-CD1 4.11Å; L505-L533 HydrophobicContact CG-CD1 4.28Å; L505-R534 PolarHBondContact O-N 3.43Å
506H95.7Very high83Confident28 Ų2846 Ų4613%0.1325%0.249CC..EExtended strand (participates in β ladder)trans-116.2111178-61.3-106.7000109.5L482 H483 I484 R534L482-H506 PolarHBondContact O-N 2.95Å; H483-H506 HydrophobicContact CB-CB 4.3Å; H483-H506 AromaticContact CD2-CD2 3.96Å; H483-H506 AromaticContact CE1-CD2 3.26Å; H483-H506 PolarHBondContact CE1-CD2 2.98Å; H483-H506 AromaticContact CE1-CE1 3.73Å; H483-H506 AromaticContact CE1-CG 3.36Å; H483-H506 AromaticContact CE1-ND1 3.64Å; H483-H506 AromaticContact CE1-NE2 3.54Å; H483-H506 WeakPolarHBondContact ND1-CB 3.43Å; H483-H506 AromaticContact ND1-CD2 3.67Å; H483-H506 AromaticContact ND1-CG 3.4Å; H483-H506 AromaticContact ND1-ND1 3.9Å; H483-H506 AromaticContact NE2-CD2 3.43Å; H483-H506 PolarHBondContact NE2-CD2 3.24Å; H483-H506 AromaticContact NE2-CG 3.97Å; H483-H506 AromaticContact NE2-NE2 3.76Å; I484-H506 PolarHBondContact N-O 3.11Å; H506-R534 WeakPolarHBondContact CA-O 3.46Å
507L93.1Very high81.3Confident10 Ų1048.7 Ų48.75%0.05226%0.259CS..EExtended strand (participates in β ladder)trans-108.3119.5176.1-59.9179.9000109.3I484 F486 L505 R534 L535 K536I484-L507 HydrophobicContact CB-CD2 3.98Å; I484-L507 HydrophobicContact CD1-CD2 3.96Å; I484-L507 HydrophobicContact CG1-CD2 4.21Å; F486-L507 HydrophobicContact CE1-CB 4.33Å; L505-L507 HydrophobicContact CD1-CD2 3.97Å; L505-L507 HydrophobicContact CD1-CG 4.44Å; L505-L507 HydrophobicContact CD2-CD1 4.19Å; L505-L507 HydrophobicContact CD2-CD2 4.35Å; L505-L507 HydrophobicContact CD2-CG 4.19Å; L505-L507 HydrophobicContact CG-CD2 4.14Å; L505-L507 HydrophobicContact CG-CG 4.06Å; L507-R534 PolarHBondContact N-O 3.05Å; L507-L535 HydrophobicContact CB-CD2 3.97Å; L507-L535 HydrophobicContact CD1-CD2 3.96Å; L507-L535 HydrophobicContact CG-CD2 4.31Å; L507-K536 PolarHBondContact O-N 3.27Å
508T94.3Very high79.6Confident34 Ų3454.1 Ų54.121%0.20928%0.284CS..EExtended strand (participates in β ladder)trans-124114.4177-580000110.1I484 K485 F486 K536I484-T508 PolarHBondContact O-N 2.87Å; K485-T508 CarbonylContact C-O 3.41Å; K485-T508 WeakPolarHBondContact CA-O 3.12Å; K485-T508 HydrophobicContact CG-CG2 4.11Å; F486-T508 WeakPolarHBondContact CD1-O 3.3Å; F486-T508 PolarHBondContact N-O 3.26Å; T508-K536 WeakPolarHBondContact CA-O 3.33Å; T508-K536 HydrophobicContact CG2-CB 4.08Å; T508-K536 HydrophobicContact CG2-CD 3.86Å; T508-K536 HydrophobicContact CG2-CG 4.13Å
509G89.8Confident77.9Confident14 Ų1457.9 Ų57.914%0.14430%0.3CS..SBendtrans156172.7-176.900000111.2F486 L511 K536 S537F486-G509 WeakPolarHBondContact O-CA 3.26Å; G509-L511 PolarHBondContact O-N 2.74Å; G509-K536 PolarHBondContact N-O 3.31Å; G509-S537 WeakPolarHBondContact O-CA 3.25Å; G509-S537 WeakPolarHBondContact O-CB 3.41Å; G509-S537 PolarHBondContact O-OG 3.44Å
510N84.8Confident76.5Confident69 Ų6958.6 Ų58.637%0.36930%0.304SS..  trans-83.4108.9-176.7-169.68.6000111.9S512N510-S512 PolarHBondContact ND2-OG 2.93Å; N510-S512 WeakPolarHBondContact OD1-CB 3.28Å; N510-S512 PolarHBondContact OD1-N 3.04Å; N510-S512 PolarHBondContact OD1-OG 2.96Å
511L77.9Confident75.7Confident3 Ų353.5 Ų53.52%0.01628%0.282CS..  trans-90.96.6175.1-61.9169.3000113.5F486 I489 I492 G509 A513 I521 S537 L539F486-L511 HydrophobicContact CE1-CD2 4.49Å; F486-L511 HydrophobicContact CE2-CD2 4Å; F486-L511 HydrophobicContact CZ-CD2 3.49Å; F486-L511 VanDerWaalsContact CZ-CD2 3.49Å; F486-L511 HydrophobicContact CZ-CG 3.94Å; I489-L511 HydrophobicContact CD1-CD2 4.28Å; I489-L511 HydrophobicContact CG1-CD2 4.44Å; I492-L511 HydrophobicContact CD1-CD2 4.34Å; G509-L511 PolarHBondContact O-N 2.74Å; L511-A513 PolarHBondContact O-N 3.31Å; L511-I521 HydrophobicContact CB-CD1 4.43Å; L511-I521 HydrophobicContact CD1-CD1 4.2Å; L511-I521 HydrophobicContact CD2-CD1 4.33Å; L511-S537 WeakPolarHBondContact CB-OG 3.41Å; L511-S537 PolarHBondContact N-OG 3.3Å; L511-L539 HydrophobicContact CB-CD2 4.1Å; L511-L539 HydrophobicContact CD1-CD2 4.28Å
512S67.3Low74.9Confident41 Ų4154 Ų5429%0.28729%0.285SS..  trans-82.5-2-171.282.60000115.4N510 E514N510-S512 PolarHBondContact ND2-OG 2.93Å; N510-S512 WeakPolarHBondContact OD1-CB 3.28Å; N510-S512 PolarHBondContact OD1-N 3.04Å; N510-S512 PolarHBondContact OD1-OG 2.96Å; S512-E514 PolarHBondContact O-N 3.28Å
513A58.2Low74.2Confident48 Ų4854.7 Ų54.740%0.39729%0.293SS..  trans-63.2110.5-177.400000111.1L511 N515 N516 R517L511-A513 PolarHBondContact O-N 3.31Å; A513-N515 PolarHBondContact O-N 3.19Å; A513-N516 PolarHBondContact O-N 3.18Å; A513-N516 VanDerWaalsContact O-N 3.14Å; A513-R517 PolarHBondContact O-N 2.93Å
514E55.9Low73.7Confident171 Ų17153.6 Ų53.680%0.79928%0.284SS*.THydrogen-bonded Turntrans-57.2-23.9-168.4-67.4172.1159.300114S512S512-E514 PolarHBondContact O-N 3.28Å
515N52.2Low73.3Confident152 Ų15258.5 Ų58.581%0.81330%0.3SS*.THydrogen-bonded Turntrans-90.5-15-176.8-67.3-17.1000114.9A513A513-N515 PolarHBondContact O-N 3.19Å
516N51.5Low72.9Confident53 Ų5363.7 Ų63.728%0.28332%0.324SS..THydrogen-bonded Turntrans-127.19.4-174.3-76.1-25.7000114.5I489 A513 F518I489-N516 HydrophobicContact CD1-CB 4.19Å; I489-N516 HydrophobicContact CG2-CB 3.83Å; A513-N516 PolarHBondContact O-N 3.18Å; A513-N516 VanDerWaalsContact O-N 3.14Å; N516-F518 PolarHBondContact O-N 3.47Å
517R55Low72.6Confident57 Ų5762.4 Ų62.422%0.21532%0.318CS..THydrogen-bonded Turntrans-58.4-25-173.2-145.7173.3-173.51740.3114.4A513 T540A513-R517 PolarHBondContact O-N 2.93Å; R517-T540 PolarHBondContact NH2-OG1 3.39Å
518F52.8Low72.3Confident142 Ų14269.5 Ų69.562%0.62335%0.349SS*.THydrogen-bonded Turntrans-95.6-49.3-174.4-57.9-73.9000111.9N516 V520 I521 D522N516-F518 PolarHBondContact O-N 3.47Å; F518-V520 PolarHBondContact O-N 2.98Å; F518-I521 PolarHBondContact O-N 3.42Å; F518-I521 VanDerWaalsContact O-N 3.16Å; F518-D522 VanDerWaalsContact C-OD2 3.29Å; F518-D522 WeakPolarHBondContact O-CB 3.48Å; F518-D522 PolarHBondContact O-N 3.27Å
519I56.1Low72.1Confident115 Ų11569.9 Ų69.959%0.5935%0.353SS*.Hα-helixtrans-59.8-40.3-169.3-59.9170.1000113.4
520V62.4Low72.3Confident16 Ų1669.3 Ų69.310%0.09735%0.346CS..Hα-helixtrans-88.3-19.1-175.6-171.70000112.1I489 I492 Y497 F518I489-V520 HydrophobicContact CD1-CB 4.17Å; I489-V520 HydrophobicContact CD1-CG2 4.18Å; I489-V520 HydrophobicContact CG1-CB 4.13Å; I489-V520 HydrophobicContact CG1-CG1 4.23Å; I489-V520 HydrophobicContact CG1-CG2 3.98Å; I489-V520 HydrophobicContact CG2-CG2 4.46Å; I492-V520 HydrophobicContact CB-CG1 3.88Å; I492-V520 HydrophobicContact CD1-CG1 3.72Å; I492-V520 HydrophobicContact CG1-CG1 4.4Å; I492-V520 HydrophobicContact CG2-CG1 3.73Å; Y497-V520 WeakPolarHBondContact OH-CG1 3.37Å; Y497-V520 PolarHBondContact OH-O 3.3Å; F518-V520 PolarHBondContact O-N 2.98Å
521I70.1Confident72.8Confident7 Ų771 Ų714%0.03635%0.35CS..Hα-helixtrans-97.4-28.8179.6-54.9-177.7000110.5L511 F518 G523 L524 P543 V545 V546L511-I521 HydrophobicContact CB-CD1 4.43Å; L511-I521 HydrophobicContact CD1-CD1 4.2Å; L511-I521 HydrophobicContact CD2-CD1 4.33Å; F518-I521 PolarHBondContact O-N 3.42Å; F518-I521 VanDerWaalsContact O-N 3.16Å; I521-G523 PolarHBondContact O-N 3.09Å; I521-L524 HydrophobicContact CG2-CD1 3.71Å; I521-L524 HydrophobicContact CG2-CG 4.42Å; I521-L524 VanDerWaalsContact O-CB 3.27Å; I521-L524 WeakPolarHBondContact O-CB 3.48Å; I521-L524 WeakPolarHBondContact O-CG 3.31Å; I521-L524 PolarHBondContact O-N 3.32Å; I521-P543 HydrophobicContact CD1-CG 4.12Å; I521-P543 HydrophobicContact CG2-CB 4.17Å; I521-P543 HydrophobicContact CG2-CG 4.48Å; I521-V545 HydrophobicContact CG2-CB 4.19Å; I521-V545 VanDerWaalsContact O-CG1 3.25Å; I521-V545 WeakPolarHBondContact O-CG1 3.3Å; I521-V546 HydrophobicContact CG2-CG2 4.41Å
522D74.6Confident73.7Confident79 Ų7971.8 Ų71.842%0.42236%0.355SS..Hα-helixtrans-56.8-33.4177.1-71.2-20.4000112.5F518 L524 R525 V545F518-D522 VanDerWaalsContact C-OD2 3.29Å; F518-D522 WeakPolarHBondContact O-CB 3.48Å; F518-D522 PolarHBondContact O-N 3.27Å; D522-L524 PolarHBondContact O-N 2.83Å; D522-R525 WeakPolarHBondContact O-CB 3.32Å; D522-R525 PolarHBondContact O-N 3.36Å; D522-V545 WeakPolarHBondContact OD1-CG2 3.37Å
523G80.6Confident75Confident15 Ų1569.9 Ų69.916%0.15534%0.342CS..G310 helixtrans-62.6-21.2175.500000114.7Y497 I521 R525 E526Y497-G523 WeakPolarHBondContact CB-O 3.35Å; Y497-G523 VanDerWaalsContact CD1-CA 3.47Å; Y497-G523 WeakPolarHBondContact CD1-O 3.27Å; I521-G523 PolarHBondContact O-N 3.09Å; G523-R525 PolarHBondContact O-N 3.07Å; G523-R525 VanDerWaalsContact O-N 3.09Å; G523-E526 PolarHBondContact O-N 3.31Å; G523-E526 VanDerWaalsContact O-N 3.15Å
524L84.3Confident76.8Confident3 Ų372.3 Ų72.32%0.01634%0.341CS..G310 helixtrans-60.9-22177.9-65.6178.7000112.5Y497 L505 I521 D522 E526 L527 V545 V549Y497-L524 HydrophobicContact CD1-CD2 4.49Å; Y497-L524 HydrophobicContact CE1-CD2 4.12Å; Y497-L524 HydrophobicContact CE1-CG 4.43Å; L505-L524 HydrophobicContact CD2-CD2 3.37Å; I521-L524 HydrophobicContact CG2-CD1 3.71Å; I521-L524 HydrophobicContact CG2-CG 4.42Å; I521-L524 VanDerWaalsContact O-CB 3.27Å; I521-L524 WeakPolarHBondContact O-CB 3.48Å; I521-L524 WeakPolarHBondContact O-CG 3.31Å; I521-L524 PolarHBondContact O-N 3.32Å; D522-L524 PolarHBondContact O-N 2.83Å; L524-E526 PolarHBondContact O-N 3.01Å; L524-L527 HydrophobicContact CD2-CD1 3.76Å; L524-L527 WeakPolarHBondContact O-CB 3.3Å; L524-L527 PolarHBondContact O-N 3.27Å; L524-L527 VanDerWaalsContact O-N 3.07Å; L524-V545 HydrophobicContact CB-CG1 3.97Å; L524-V549 HydrophobicContact CB-CG2 4.23Å; L524-V549 VanDerWaalsContact O-CG2 3.3Å; L524-V549 WeakPolarHBondContact O-CG2 3.5Å
525R86.8Confident78.6Confident171 Ų17164.3 Ų64.365%0.64530%0.303SS*.G310 helixtrans-58.8-28177.4-164.1177.5-165.1-176.13.9113.2D522 G523 L527 V545D522-R525 WeakPolarHBondContact O-CB 3.32Å; D522-R525 PolarHBondContact O-N 3.36Å; G523-R525 PolarHBondContact O-N 3.07Å; G523-R525 VanDerWaalsContact O-N 3.09Å; R525-L527 VanDerWaalsContact C-N 3.31Å; R525-V545 HydrophobicContact CB-CG1 4.4Å
526E87.8Confident80.6Confident109 Ų10960 Ų6051%0.50928%0.278SS..G310 helixtrans-76.8-17.7179.8-63-55.513800113.1Y497 G523 L524 K528Y497-E526 WeakPolarHBondContact O-CB 3.46Å; G523-E526 PolarHBondContact O-N 3.31Å; G523-E526 VanDerWaalsContact O-N 3.15Å; L524-E526 PolarHBondContact O-N 3.01Å; E526-K528 VanDerWaalsContact C-N 3.26Å; E526-K528 PolarHBondContact O-N 3.49Å
527L89.3Confident82.4Confident2 Ų257.6 Ų57.61%0.0127%0.265CS..  trans-81.567.5-178.9-59.5178.2000111.6L499 L502 L505 L524 R525 S529 L530L499-L527 WeakPolarHBondContact O-CD2 3.48Å; L502-L527 HydrophobicContact CD2-CD1 4.26Å; L502-L527 HydrophobicContact CD2-CD2 4.44Å; L505-L527 HydrophobicContact CD2-CD1 4Å; L524-L527 HydrophobicContact CD2-CD1 3.76Å; L524-L527 WeakPolarHBondContact O-CB 3.3Å; L524-L527 PolarHBondContact O-N 3.27Å; L524-L527 VanDerWaalsContact O-N 3.07Å; R525-L527 VanDerWaalsContact C-N 3.31Å; L527-S529 VanDerWaalsContact C-N 3.26Å; L527-S529 PolarHBondContact O-N 3.45Å; L527-L530 HydrophobicContact CB-CB 4.17Å; L527-L530 VanDerWaalsContact O-CB 3.28Å; L527-L530 WeakPolarHBondContact O-CB 3.46Å; L527-L530 PolarHBondContact O-N 3.44Å
528K86.1Confident83.9Confident159 Ų15957.2 Ų57.269%0.69127%0.267SS*.THydrogen-bonded Turntrans-66.5-21.3-174.2-62.2-177.1-176.8-178.10114.8E526E526-K528 VanDerWaalsContact C-N 3.26Å; E526-K528 PolarHBondContact O-N 3.49Å
529S90.7Very high85.5Confident41 Ų4150.5 Ų50.529%0.28724%0.238SC..THydrogen-bonded Turntrans-94.64.5179.964.10000113.8K500 N501 L502 L527 K531K500-S529 WeakPolarHBondContact O-CB 3.46Å; K500-S529 PolarHBondContact O-OG 3.26Å; N501-S529 WeakPolarHBondContact CA-OG 3.44Å; L502-S529 PolarHBondContact N-OG 3.46Å; L502-S529 CarbonylContact O-C 3.52Å; L502-S529 PolarHBondContact O-OG 2.93Å; L502-S529 VanDerWaalsContact O-OG 3.13Å; L527-S529 VanDerWaalsContact C-N 3.26Å; L527-S529 PolarHBondContact O-N 3.45Å; S529-K531 PolarHBondContact O-N 2.95Å
530L93.8Very high86.9Confident2 Ų248.1 Ų48.11%0.0123%0.228CC..  trans-68.1121.8-177-165.172.5000111.1L502 L505 L527 L533 V549 L553L502-L530 WeakPolarHBondContact O-CA 3.24Å; L502-L530 PolarHBondContact O-N 2.9Å; L505-L530 HydrophobicContact CB-CD1 3.68Å; L505-L530 HydrophobicContact CB-CD2 4.5Å; L527-L530 HydrophobicContact CB-CB 4.17Å; L527-L530 VanDerWaalsContact O-CB 3.28Å; L527-L530 WeakPolarHBondContact O-CB 3.46Å; L527-L530 PolarHBondContact O-N 3.44Å; L530-L533 HydrophobicContact CD2-CB 4.2Å; L530-L533 HydrophobicContact CD2-CD1 4.25Å; L530-V549 HydrophobicContact CB-CG1 4.44Å; L530-V549 HydrophobicContact CD2-CG1 4.14Å; L530-L553 HydrophobicContact CD2-CD1 4.22Å; L530-L553 HydrophobicContact CG-CD1 4.14Å
531K95.2Very high88Confident104 Ų10453 Ų5345%0.45225%0.248SC..  trans-107.1-34.7178.2-65.1-178.1179.4-177.40112.3S503 S529 L553 Q554 K555S503-K531 PolarHBondContact O-N 3.37Å; S529-K531 PolarHBondContact O-N 2.95Å; K531-L553 WeakPolarHBondContact O-CD1 3.41Å; K531-Q554 HydrophobicContact CB-CG 4.45Å; K531-Q554 PolarHBondContact O-N 3.34Å; K531-K555 PolarHBondContact O-N 2.87Å
532V96.8Very high88.8Confident20 Ų2053 Ų5312%0.12125%0.249CC..EExtended strand (participates in β ladder)trans-121.7124.2-177.5-1760000109.4S503 E504 L505 K555S503-V532 PolarHBondContact O-N 3.06Å; E504-V532 WeakPolarHBondContact CA-O 3.31Å; E504-V532 HydrophobicContact CB-CB 4.09Å; E504-V532 HydrophobicContact CG-CB 3.88Å; E504-V532 HydrophobicContact CG-CG2 3.93Å; L505-V532 PolarHBondContact N-O 3.47Å; V532-K555 HydrophobicContact CB-CB 4.4Å; V532-K555 HydrophobicContact CG1-CB 4.1Å; V532-K555 HydrophobicContact CG1-CD 3.97Å; V532-K555 HydrophobicContact CG1-CG 4.12Å; V532-K555 HydrophobicContact CG2-CB 4.1Å
533L95.6Very high89.2Confident1 Ų150.4 Ų50.41%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-124.8120.2172.2-179.663.9000109.2L505 L530 L535 V546 L553 K555 L556 S557L505-L533 HydrophobicContact CB-CD1 4.17Å; L505-L533 HydrophobicContact CD2-CD1 4.11Å; L505-L533 HydrophobicContact CG-CD1 4.28Å; L530-L533 HydrophobicContact CD2-CB 4.2Å; L530-L533 HydrophobicContact CD2-CD1 4.25Å; L533-L535 HydrophobicContact CD1-CD2 3.86Å; L533-L535 HydrophobicContact CD1-CG 4.39Å; L533-L535 HydrophobicContact CD2-CD1 4.24Å; L533-L535 HydrophobicContact CD2-CD2 4.4Å; L533-L535 HydrophobicContact CD2-CG 4.32Å; L533-L535 HydrophobicContact CG-CD2 4.09Å; L533-L535 HydrophobicContact CG-CG 4.07Å; L533-V546 HydrophobicContact CD2-CG1 3.76Å; L533-V546 HydrophobicContact CD2-CG2 4.22Å; L533-L553 HydrophobicContact CB-CD1 3.81Å; L533-L553 HydrophobicContact CB-CD2 3.92Å; L533-L553 HydrophobicContact CB-CG 4.49Å; L533-K555 PolarHBondContact N-O 3.22Å; L533-L556 HydrophobicContact CB-CD1 4.39Å; L533-L556 HydrophobicContact CD2-CD1 4.28Å; L533-L556 HydrophobicContact CG-CD1 4.45Å; L533-S557 PolarHBondContact O-N 3.11Å
534R95.8Very high89.3Confident99 Ų9954.7 Ų54.737%0.37425%0.252SS..EExtended strand (participates in β ladder)trans-115.7120.9174.2-178159.6170.7174.7-2.7110.4L505 H506 L507 S557L505-R534 PolarHBondContact O-N 3.43Å; H506-R534 WeakPolarHBondContact CA-O 3.46Å; L507-R534 PolarHBondContact N-O 3.05Å; R534-S557 CarbonylContact C-O 3.25Å; R534-S557 WeakPolarHBondContact CA-O 3.08Å
535L92.9Very high89.3Confident3 Ų355.3 Ų55.32%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-115.5115.2178.9-57.8179000108.6L507 L533 L539 V546 S557 I558 N559L507-L535 HydrophobicContact CB-CD2 3.97Å; L507-L535 HydrophobicContact CD1-CD2 3.96Å; L507-L535 HydrophobicContact CG-CD2 4.31Å; L533-L535 HydrophobicContact CD1-CD2 3.86Å; L533-L535 HydrophobicContact CD1-CG 4.39Å; L533-L535 HydrophobicContact CD2-CD1 4.24Å; L533-L535 HydrophobicContact CD2-CD2 4.4Å; L533-L535 HydrophobicContact CD2-CG 4.32Å; L533-L535 HydrophobicContact CG-CD2 4.09Å; L533-L535 HydrophobicContact CG-CG 4.07Å; L535-L539 HydrophobicContact CB-CD1 4.38Å; L535-L539 HydrophobicContact CD1-CD1 4.09Å; L535-V546 HydrophobicContact CD1-CG2 4.1Å; L535-S557 PolarHBondContact N-O 3.49Å; L535-I558 CarbonylContact O-C 3.48Å; L535-I558 WeakPolarHBondContact O-CA 3.31Å; L535-N559 PolarHBondContact O-N 2.88Å
536K94Very high89.4Confident62 Ų6247.2 Ų47.227%0.2723%0.225SC..EExtended strand (participates in β ladder)trans-113.198168.7-177.8178.1171.9-164.90108.5L507 T508 G509 N559 E561L507-K536 PolarHBondContact O-N 3.27Å; T508-K536 WeakPolarHBondContact CA-O 3.33Å; T508-K536 HydrophobicContact CG2-CB 4.08Å; T508-K536 HydrophobicContact CG2-CD 3.86Å; T508-K536 HydrophobicContact CG2-CG 4.13Å; G509-K536 PolarHBondContact N-O 3.31Å; K536-N559 VanDerWaalsContact CA-O 3.32Å; K536-N559 WeakPolarHBondContact CA-O 3.25Å; K536-N559 HydrophobicContact CB-CB 4.31Å; K536-N559 HydrophobicContact CG-CB 4.14Å; K536-E561 WeakPolarHBondContact CE-OE1 3.37Å; K536-E561 HydrophobicContact CG-CG 4.3Å; K536-E561 IonicContact NZ-OE1 3.7Å; K536-E561 PolarHBondContact NZ-OE1 2.93Å
537S89.2Confident89.2Confident2 Ų242 Ų421%0.01420%0.201CC..SBendtrans-160.1169.9-169.5175.10000110.3G509 L511 L539 N559 N560G509-S537 WeakPolarHBondContact O-CA 3.25Å; G509-S537 WeakPolarHBondContact O-CB 3.41Å; G509-S537 PolarHBondContact O-OG 3.44Å; L511-S537 WeakPolarHBondContact CB-OG 3.41Å; L511-S537 PolarHBondContact N-OG 3.3Å; S537-L539 PolarHBondContact O-N 3.37Å; S537-N559 PolarHBondContact N-O 2.82Å; S537-N560 CarbonylContact O-C 3.43Å; S537-N560 VanDerWaalsContact O-CA 3.26Å; S537-N560 WeakPolarHBondContact O-CA 3.39Å; S537-N560 PolarHBondContact O-OD1 3.43Å
538N87.8Confident88.9Confident50 Ų5045.2 Ų45.227%0.26722%0.218SC..  trans-93.568.7174.4-63.4-22000111.8T563N538-T563 WeakPolarHBondContact CB-OG1 3.48Å; N538-T563 PolarHBondContact OD1-OG1 3.1Å
539L86.1Confident88.9Confident1 Ų138.1 Ų38.11%0.00519%0.188CC..  trans-81.3119.8-177.3-58.5174.6000111.5L511 L535 S537 I558 N560 L565L511-L539 HydrophobicContact CB-CD2 4.1Å; L511-L539 HydrophobicContact CD1-CD2 4.28Å; L535-L539 HydrophobicContact CB-CD1 4.38Å; L535-L539 HydrophobicContact CD1-CD1 4.09Å; S537-L539 PolarHBondContact O-N 3.37Å; L539-I558 HydrophobicContact CD1-CG2 4.38Å; L539-N560 WeakPolarHBondContact CA-OD1 3.47Å; L539-N560 WeakPolarHBondContact CB-OD1 3.33Å; L539-N560 PolarHBondContact N-OD1 3.21Å; L539-N560 PolarHBondContact O-ND2 3.06Å; L539-N560 PolarHBondContact O-OD1 3.46Å; L539-L565 HydrophobicContact CB-CD1 4.11Å; L539-L565 WeakPolarHBondContact O-CD1 3.44Å
540T85.9Confident88.5Confident64 Ų6436.2 Ų36.239%0.39318%0.175SC..SBendtrans-78.9-28.1170.855.60000113.2R517 T563 M566R517-T540 PolarHBondContact NH2-OG1 3.39Å; T540-T563 HydrophobicContact CG2-CG2 4.42Å; T540-M566 PolarHBondContact O-N 2.99Å
541K85.4Confident88.1Confident118 Ų11839.3 Ų39.351%0.51319%0.194SC..BIsolated β-bridgetrans-145151.1177.3-66.2-176.8-179.5175.80109P543K541-P543 WeakPolarHBondContact O-CD 3.42Å
542L85.2Confident87.8Confident9 Ų939.7 Ų39.75%0.04720%0.197CC..  trans-72.2124.2172.8-168.465000110V546 T547 I558 L571 M574L542-V546 HydrophobicContact CD1-CB 4.26Å; L542-V546 HydrophobicContact CD1-CG1 3.94Å; L542-V546 HydrophobicContact CG-CB 4.43Å; L542-V546 HydrophobicContact CG-CG1 4.38Å; L542-T547 HydrophobicContact CD2-CG2 3.71Å; L542-T547 HydrophobicContact CG-CG2 4.23Å; L542-I558 HydrophobicContact CD1-CD1 3.61Å; L542-L571 HydrophobicContact CD2-CD2 3.76Å; L542-M574 HydrophobicContact CD2-CE 3.9Å
543P84.4Confident87.6Confident23 Ų2338.8 Ų38.815%0.14919%0.191CC..  trans-62143.4177.6-2233.4000112.1I521 K541 V545 V546 T547I521-P543 HydrophobicContact CD1-CG 4.12Å; I521-P543 HydrophobicContact CG2-CB 4.17Å; I521-P543 HydrophobicContact CG2-CG 4.48Å; K541-P543 WeakPolarHBondContact O-CD 3.42Å; P543-V545 VanDerWaalsContact C-N 3.27Å; P543-V545 PolarHBondContact O-N 2.97Å; P543-V546 HydrophobicContact CB-CG2 4.16Å; P543-V546 HydrophobicContact CG-CG2 4.23Å; P543-V546 WeakPolarHBondContact O-CB 3.48Å; P543-V546 PolarHBondContact O-N 2.69Å; P543-T547 PolarHBondContact O-N 3.48Å
544Q82.6Confident87.6Confident105 Ų10542.8 Ų42.849%0.49121%0.21SC..Hα-helixtrans-60.5-37.4179.9-70.3-66.3-28.800112V546 T547 D548Q544-V546 VanDerWaalsContact C-N 3.26Å; Q544-V546 PolarHBondContact O-N 3.01Å; Q544-T547 CarbonylContact O-C 3.53Å; Q544-T547 WeakPolarHBondContact O-CA 3.5Å; Q544-T547 WeakPolarHBondContact O-CB 3.33Å; Q544-T547 PolarHBondContact O-N 2.96Å; Q544-T547 PolarHBondContact O-OG1 2.78Å; Q544-T547 PolarHBondContact OE1-OG1 3.49Å; Q544-D548 VanDerWaalsContact O-CG 3.31Å; Q544-D548 PolarHBondContact O-N 2.67Å
545V84.7Confident87.7Confident16 Ų1640.2 Ų40.210%0.09720%0.201CC..Hα-helixtrans-59-39.1178.5-175.30000112I521 D522 L524 R525 P543 T547 D548 V549I521-V545 HydrophobicContact CG2-CB 4.19Å; I521-V545 VanDerWaalsContact O-CG1 3.25Å; I521-V545 WeakPolarHBondContact O-CG1 3.3Å; D522-V545 WeakPolarHBondContact OD1-CG2 3.37Å; L524-V545 HydrophobicContact CB-CG1 3.97Å; R525-V545 HydrophobicContact CB-CG1 4.4Å; P543-V545 VanDerWaalsContact C-N 3.27Å; P543-V545 PolarHBondContact O-N 2.97Å; V545-T547 PolarHBondContact O-N 3.17Å; V545-D548 PolarHBondContact O-N 2.93Å; V545-D548 VanDerWaalsContact O-N 3.13Å; V545-V549 HydrophobicContact CG1-CG2 4.3Å; V545-V549 WeakPolarHBondContact O-CG2 3.33Å; V545-V549 PolarHBondContact O-N 2.85Å
546V87.4Confident87.9Confident2 Ų240 Ų401%0.01220%0.201CC..Hα-helixtrans-61.2-37.1175.6177.30000110.3I521 L533 L535 L542 P543 Q544 G550 L556 M574I521-V546 HydrophobicContact CG2-CG2 4.41Å; L533-V546 HydrophobicContact CD2-CG1 3.76Å; L533-V546 HydrophobicContact CD2-CG2 4.22Å; L535-V546 HydrophobicContact CD1-CG2 4.1Å; L542-V546 HydrophobicContact CD1-CB 4.26Å; L542-V546 HydrophobicContact CD1-CG1 3.94Å; L542-V546 HydrophobicContact CG-CB 4.43Å; L542-V546 HydrophobicContact CG-CG1 4.38Å; P543-V546 HydrophobicContact CB-CG2 4.16Å; P543-V546 HydrophobicContact CG-CG2 4.23Å; P543-V546 WeakPolarHBondContact O-CB 3.48Å; P543-V546 PolarHBondContact O-N 2.69Å; Q544-V546 VanDerWaalsContact C-N 3.26Å; Q544-V546 PolarHBondContact O-N 3.01Å; V546-G550 PolarHBondContact O-N 2.94Å; V546-L556 HydrophobicContact CG1-CD1 4.17Å; V546-M574 HydrophobicContact CG1-CE 3.93Å; V546-M574 WeakPolarHBondContact O-CE 3.31Å
547T84.6Confident88Confident0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-73.5-30.6176.968.70000113.1L542 P543 Q544 V545 G550 M574L542-T547 HydrophobicContact CD2-CG2 3.71Å; L542-T547 HydrophobicContact CG-CG2 4.23Å; P543-T547 PolarHBondContact O-N 3.48Å; Q544-T547 CarbonylContact O-C 3.53Å; Q544-T547 WeakPolarHBondContact O-CA 3.5Å; Q544-T547 WeakPolarHBondContact O-CB 3.33Å; Q544-T547 PolarHBondContact O-N 2.96Å; Q544-T547 PolarHBondContact O-OG1 2.78Å; Q544-T547 PolarHBondContact OE1-OG1 3.49Å; V545-T547 PolarHBondContact O-N 3.17Å; T547-G550 PolarHBondContact O-N 3.11Å; T547-M574 HydrophobicContact CG2-CE 3.85Å
548D83.8Confident88.2Confident68 Ų6837 Ų3736%0.36419%0.187SC..Hα-helixtrans-73.8-39.3177.1-61.7-23.5000111.4Q544 V545 G550 K573Q544-D548 VanDerWaalsContact O-CG 3.31Å; Q544-D548 PolarHBondContact O-N 2.67Å; V545-D548 PolarHBondContact O-N 2.93Å; V545-D548 VanDerWaalsContact O-N 3.13Å; D548-G550 VanDerWaalsContact C-N 3.26Å; D548-K573 IonicContact OD1-NZ 3.54Å
549V85.4Confident88.6Confident11 Ų1135.6 Ų35.67%0.06718%0.18CC..Hα-helixtrans-70.1-27.6171.4-178.70000111.2L524 L530 V545 V551 H552L524-V549 HydrophobicContact CB-CG2 4.23Å; L524-V549 VanDerWaalsContact O-CG2 3.3Å; L524-V549 WeakPolarHBondContact O-CG2 3.5Å; L530-V549 HydrophobicContact CB-CG1 4.44Å; L530-V549 HydrophobicContact CD2-CG1 4.14Å; V545-V549 HydrophobicContact CG1-CG2 4.3Å; V545-V549 WeakPolarHBondContact O-CG2 3.33Å; V545-V549 PolarHBondContact O-N 2.85Å; V549-V551 PolarHBondContact O-N 3.16Å; V549-H552 PolarHBondContact O-N 3.19Å; V549-H552 VanDerWaalsContact O-N 3.12Å
550G82Confident88.8Confident0 Ų035.6 Ų35.60%018%0.18CC..THydrogen-bonded Turntrans-57.8-12.8-177.700000116.3V546 T547 D548 H552 M574V546-G550 PolarHBondContact O-N 2.94Å; T547-G550 PolarHBondContact O-N 3.11Å; D548-G550 VanDerWaalsContact C-N 3.26Å; G550-H552 VanDerWaalsContact C-N 3.27Å; G550-H552 PolarHBondContact O-N 3.19Å; G550-M574 WeakPolarHBondContact O-CA 3.46Å
551V85.9Confident89Confident68 Ų6836.2 Ų36.241%0.41218%0.178SC..THydrogen-bonded Turntrans-65-31.2174.6-175.60000112.1V549 N576V549-V551 PolarHBondContact O-N 3.16Å; V551-N576 WeakPolarHBondContact O-CB 3.43Å
552H88.2Confident89Confident112 Ų11232.7 Ų32.752%0.51918%0.176SC..THydrogen-bonded Turntrans-104.2-8.8-179-52.588.7000112.8V549 G550V549-H552 PolarHBondContact O-N 3.19Å; V549-H552 VanDerWaalsContact O-N 3.12Å; G550-H552 VanDerWaalsContact C-N 3.27Å; G550-H552 PolarHBondContact O-N 3.19Å
553L93.6Very high89.2Confident0 Ų034.1 Ų34.10%018%0.184CC..  trans-75.5134.7-173.7-156.975.3000111.1L530 K531 L533 K555 L556 N576 L577L530-L553 HydrophobicContact CD2-CD1 4.22Å; L530-L553 HydrophobicContact CG-CD1 4.14Å; K531-L553 WeakPolarHBondContact O-CD1 3.41Å; L533-L553 HydrophobicContact CB-CD1 3.81Å; L533-L553 HydrophobicContact CB-CD2 3.92Å; L533-L553 HydrophobicContact CB-CG 4.49Å; L553-K555 WeakPolarHBondContact CD2-O 3.39Å; L553-K555 WeakPolarHBondContact CG-O 3.4Å; L553-L556 HydrophobicContact CD2-CB 3.85Å; L553-L556 HydrophobicContact CD2-CD1 4.03Å; L553-L556 HydrophobicContact CD2-CG 4.48Å; L553-N576 CarbonylContact O-C 3.47Å; L553-L577 HydrophobicContact CB-CD1 4.33Å; L553-L577 HydrophobicContact CD2-CD1 4.17Å; L553-L577 HydrophobicContact CG-CD1 4.34Å
554Q95.5Very high89.4Confident85 Ų8537.1 Ų37.140%0.39720%0.195SC..SBendtrans-98.4-37176.6-64.4-176.8-24.400111.2K531 T578 E579K531-Q554 HydrophobicContact CB-CG 4.45Å; K531-Q554 PolarHBondContact O-N 3.34Å; Q554-T578 PolarHBondContact O-N 3.39Å; Q554-T578 PolarHBondContact O-OG1 3.3Å; Q554-T578 VanDerWaalsContact O-OG1 3.06Å; Q554-E579 PolarHBondContact O-N 3.34Å
555K97.1Very high89.7Confident45 Ų4532.4 Ų32.420%0.19617%0.174CC..EExtended strand (participates in β ladder)trans-127.7126.1179.9179.7172.3-172.5136.20111.7K531 V532 L533 L553 E579 E581K531-K555 PolarHBondContact O-N 2.87Å; V532-K555 HydrophobicContact CB-CB 4.4Å; V532-K555 HydrophobicContact CG1-CB 4.1Å; V532-K555 HydrophobicContact CG1-CD 3.97Å; V532-K555 HydrophobicContact CG1-CG 4.12Å; V532-K555 HydrophobicContact CG2-CB 4.1Å; L533-K555 PolarHBondContact N-O 3.22Å; L553-K555 WeakPolarHBondContact CD2-O 3.39Å; L553-K555 WeakPolarHBondContact CG-O 3.4Å; K555-E579 WeakPolarHBondContact CA-O 3.25Å; K555-E579 HydrophobicContact CB-CB 4.1Å; K555-E579 HydrophobicContact CD-CB 4.31Å; K555-E579 VanDerWaalsContact CD-OE2 3.29Å; K555-E579 WeakPolarHBondContact CD-OE2 3.47Å; K555-E579 WeakPolarHBondContact CE-OE2 3.45Å; K555-E579 HydrophobicContact CG-CB 3.9Å; K555-E579 IonicContact NZ-OE2 3.99Å; K555-E579 PolarHBondContact NZ-OE2 3.19Å; K555-E581 WeakPolarHBondContact CE-OE1 3.35Å; K555-E581 IonicContact NZ-OE1 2.87Å; K555-E581 PolarHBondContact NZ-OE1 3.38Å
556L96Very high89.5Confident0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-118.9120.3170.218063.7000109L533 V546 L553 I558 L571 M574 L577 E579 L580 E581L533-L556 HydrophobicContact CB-CD1 4.39Å; L533-L556 HydrophobicContact CD2-CD1 4.28Å; L533-L556 HydrophobicContact CG-CD1 4.45Å; V546-L556 HydrophobicContact CG1-CD1 4.17Å; L553-L556 HydrophobicContact CD2-CB 3.85Å; L553-L556 HydrophobicContact CD2-CD1 4.03Å; L553-L556 HydrophobicContact CD2-CG 4.48Å; L556-I558 HydrophobicContact CD1-CG1 4.23Å; L556-I558 HydrophobicContact CD2-CD1 4.11Å; L556-I558 HydrophobicContact CG-CD1 4.3Å; L556-I558 HydrophobicContact CG-CG1 4.18Å; L556-L571 HydrophobicContact CD2-CD2 4.07Å; L556-M574 HydrophobicContact CD2-CE 3.86Å; L556-M574 HydrophobicContact CD2-SD 3.64Å; L556-L577 HydrophobicContact CB-CD1 3.81Å; L556-L577 HydrophobicContact CB-CD2 4.04Å; L556-E579 PolarHBondContact N-O 2.7Å; L556-L580 HydrophobicContact CB-CD1 4.24Å; L556-L580 HydrophobicContact CD2-CD1 4.22Å; L556-L580 HydrophobicContact CG-CD1 4.41Å; L556-E581 PolarHBondContact O-N 3.48Å
557S96.6Very high88.7Confident1 Ų140 Ų401%0.00722%0.215CC..EExtended strand (participates in β ladder)trans-120.2117.4175.6179.40000109.9L533 R534 L535 E581L533-S557 PolarHBondContact O-N 3.11Å; R534-S557 CarbonylContact C-O 3.25Å; R534-S557 WeakPolarHBondContact CA-O 3.08Å; L535-S557 PolarHBondContact N-O 3.49Å; S557-E581 VanDerWaalsContact CB-OE2 3.25Å; S557-E581 WeakPolarHBondContact CB-OE2 3.46Å; S557-E581 PolarHBondContact OG-OE2 3.21Å
558I94.5Very high88.4Confident0 Ų040.5 Ų40.50%022%0.217CC..EExtended strand (participates in β ladder)trans-115.7118175.5-58.6172.1000107.6L535 L539 L542 L556 N560 L565 E581 L582 I583L535-I558 CarbonylContact O-C 3.48Å; L535-I558 WeakPolarHBondContact O-CA 3.31Å; L539-I558 HydrophobicContact CD1-CG2 4.38Å; L542-I558 HydrophobicContact CD1-CD1 3.61Å; L556-I558 HydrophobicContact CD1-CG1 4.23Å; L556-I558 HydrophobicContact CD2-CD1 4.11Å; L556-I558 HydrophobicContact CG-CD1 4.3Å; L556-I558 HydrophobicContact CG-CG1 4.18Å; I558-N560 HydrophobicContact CG2-CB 4.48Å; I558-L565 HydrophobicContact CD1-CD2 4.26Å; I558-L565 HydrophobicContact CG2-CD2 4.26Å; I558-E581 PolarHBondContact N-O 2.97Å; I558-L582 HydrophobicContact CB-CD2 4.06Å; I558-L582 HydrophobicContact CD1-CD2 3.92Å; I558-L582 HydrophobicContact CG1-CD2 4.32Å; I558-I583 PolarHBondContact O-N 3.01Å
559N95.5Very high88.4Confident20 Ų2042.7 Ų42.711%0.10723%0.229CC..EExtended strand (participates in β ladder)trans-111.8106.2168.9-176.8-21.6000108.7L535 K536 S537 E561 I583L535-N559 PolarHBondContact O-N 2.88Å; K536-N559 VanDerWaalsContact CA-O 3.32Å; K536-N559 WeakPolarHBondContact CA-O 3.25Å; K536-N559 HydrophobicContact CB-CB 4.31Å; K536-N559 HydrophobicContact CG-CB 4.14Å; S537-N559 PolarHBondContact N-O 2.82Å; N559-E561 PolarHBondContact OD1-N 2.83Å; N559-I583 VanDerWaalsContact CA-O 3.28Å; N559-I583 WeakPolarHBondContact CA-O 3.4Å; N559-I583 HydrophobicContact CB-CB 4.25Å; N559-I583 HydrophobicContact CB-CG2 4.45Å
560N91.4Very high88.3Confident0 Ų043.2 Ų43.20%023%0.233CC..  trans-95.210.3-167.6-139.936.1000114.7S537 L539 I558 G562 T563 I583 R584 C585S537-N560 CarbonylContact O-C 3.43Å; S537-N560 VanDerWaalsContact O-CA 3.26Å; S537-N560 WeakPolarHBondContact O-CA 3.39Å; S537-N560 PolarHBondContact O-OD1 3.43Å; L539-N560 WeakPolarHBondContact CA-OD1 3.47Å; L539-N560 WeakPolarHBondContact CB-OD1 3.33Å; L539-N560 PolarHBondContact N-OD1 3.21Å; L539-N560 PolarHBondContact O-ND2 3.06Å; L539-N560 PolarHBondContact O-OD1 3.46Å; I558-N560 HydrophobicContact CG2-CB 4.48Å; N560-G562 PolarHBondContact O-N 3.3Å; N560-T563 PolarHBondContact ND2-O 2.82Å; N560-T563 WeakPolarHBondContact O-CB 3.37Å; N560-T563 PolarHBondContact O-N 2.61Å; N560-T563 PolarHBondContact O-OG1 2.88Å; N560-I583 PolarHBondContact N-O 3.02Å; N560-R584 CarbonylContact C-O 3.54Å; N560-R584 WeakPolarHBondContact CB-O 3.46Å; N560-C585 HydrophobicContact CB-CB 4.34Å
561E89Confident88.5Confident77 Ų7743.2 Ų43.236%0.3623%0.233SC..THydrogen-bonded Turntrans52.316.7179.8-54.2-163.2114.400116K536 N559 R584K536-E561 WeakPolarHBondContact CE-OE1 3.37Å; K536-E561 HydrophobicContact CG-CG 4.3Å; K536-E561 IonicContact NZ-OE1 3.7Å; K536-E561 PolarHBondContact NZ-OE1 2.93Å; N559-E561 PolarHBondContact OD1-N 2.83Å; E561-R584 PolarHBondContact O-NH2 3.38Å
562G86Confident88.6Confident45 Ų4545 Ų4546%0.46424%0.235SC..THydrogen-bonded Turntrans102.80.6-177.600000114.4N560 R584N560-G562 PolarHBondContact O-N 3.3Å; G562-R584 WeakPolarHBondContact CA-O 3.28Å; G562-R584 PolarHBondContact N-O 3.32Å
563T88.4Confident88.6Confident38 Ų3844.2 Ų44.223%0.23323%0.23CC..  trans-74.2139.6173.9-54.50000110.1N538 T540 N560 L565 C585N538-T563 WeakPolarHBondContact CB-OG1 3.48Å; N538-T563 PolarHBondContact OD1-OG1 3.1Å; T540-T563 HydrophobicContact CG2-CG2 4.42Å; N560-T563 PolarHBondContact ND2-O 2.82Å; N560-T563 WeakPolarHBondContact O-CB 3.37Å; N560-T563 PolarHBondContact O-N 2.61Å; N560-T563 PolarHBondContact O-OG1 2.88Å; T563-L565 PolarHBondContact O-N 3.37Å; T563-C585 CarbonylContact O-C 3.12Å
564K89.9Confident88.5Confident86 Ų8644.2 Ų44.237%0.37423%0.23SC..  trans-71.5115.4177.4-166.4170.5-166.7152.80112M566 D586 E588K564-M566 HydrophobicContact CD-SD 3.75Å; K564-M566 HydrophobicContact CG-CG 4.36Å; K564-M566 HydrophobicContact CG-SD 3.76Å; K564-M566 PolarHBondContact O-N 3.4Å; K564-D586 HydrophobicContact CB-CB 4.25Å; K564-D586 HydrophobicContact CG-CB 4.5Å; K564-E588 IonicContact NZ-OE1 2.78Å; K564-E588 PolarHBondContact NZ-OE1 2.95Å
565L87.4Confident88.2Confident7 Ų743.7 Ų43.74%0.03723%0.233CC..  trans-87.6105.6177.4-172.859.9000110.3L539 I558 T563 L568 C585L539-L565 HydrophobicContact CB-CD1 4.11Å; L539-L565 WeakPolarHBondContact O-CD1 3.44Å; I558-L565 HydrophobicContact CD1-CD2 4.26Å; I558-L565 HydrophobicContact CG2-CD2 4.26Å; T563-L565 PolarHBondContact O-N 3.37Å; L565-L568 HydrophobicContact CD2-CD1 4.44Å; L565-L568 HydrophobicContact CD2-CD2 3.79Å; L565-L568 HydrophobicContact CG-CD2 4.03Å; L565-L568 HydrophobicContact CG-CG 4.5Å; L565-C585 HydrophobicContact CB-CB 4.21Å; L565-C585 PolarHBondContact N-O 3.15Å; L565-C585 VanDerWaalsContact N-O 3.15Å
566M80.9Confident87.9Confident95 Ų9545.3 Ų45.347%0.46824%0.243SC..BIsolated β-bridgetrans-94.9149.3-178.2-60-65.7-7500111.1T540 K564T540-M566 PolarHBondContact O-N 2.99Å; K564-M566 HydrophobicContact CD-SD 3.75Å; K564-M566 HydrophobicContact CG-CG 4.36Å; K564-M566 HydrophobicContact CG-SD 3.76Å; K564-M566 PolarHBondContact O-N 3.4Å
567V70.8Confident87.9Confident83 Ų8345.3 Ų45.350%0.50324%0.243SC..  trans62.984.5171.2-168.20000113.5
568L79.4Confident87.9Confident10 Ų1046.7 Ų46.75%0.05225%0.252CS..  trans-102.711.8178.2-70.2171000113.8L565 S570 L571 L582 L587 P591 S593L565-L568 HydrophobicContact CD2-CD1 4.44Å; L565-L568 HydrophobicContact CD2-CD2 3.79Å; L565-L568 HydrophobicContact CG-CD2 4.03Å; L565-L568 HydrophobicContact CG-CG 4.5Å; L568-S570 PolarHBondContact O-N 3.21Å; L568-S570 VanDerWaalsContact O-N 3.14Å; L568-L571 HydrophobicContact CB-CD1 3.95Å; L568-L571 HydrophobicContact CB-CG 4.31Å; L568-L571 HydrophobicContact CD2-CD1 4.01Å; L568-L571 HydrophobicContact CD2-CG 4.2Å; L568-L571 HydrophobicContact CG-CD1 4.39Å; L568-L571 WeakPolarHBondContact O-CB 3.5Å; L568-L571 WeakPolarHBondContact O-CG 3.1Å; L568-L571 PolarHBondContact O-N 2.83Å; L568-L582 HydrophobicContact CD1-CD1 4.36Å; L568-L587 HydrophobicContact CD1-CD2 4.1Å; L568-P591 HydrophobicContact CB-CB 3.97Å; L568-P591 HydrophobicContact CB-CG 4.32Å; L568-P591 HydrophobicContact CD1-CB 3.92Å; L568-P591 HydrophobicContact CD1-CG 3.3Å; L568-P591 HydrophobicContact CG-CG 4.43Å; L568-S593 WeakPolarHBondContact O-CB 3.39Å; L568-S593 PolarHBondContact O-OG 3.43Å
569N82.6Confident88Confident113 Ų11349.7 Ų49.760%0.60427%0.266SS*.G310 helixtrans-58-29.8179.7-70.8-14.1000112.9L571 K572N569-L571 PolarHBondContact O-N 3.38Å; N569-K572 WeakPolarHBondContact O-CG 3.38Å; N569-K572 PolarHBondContact O-N 3.35Å
570S83.5Confident88.1Confident22 Ų2248.8 Ų48.815%0.15426%0.261CS..G310 helixtrans-67.7-17.6179.1-42.90000113.9L568 K572 K573L568-S570 PolarHBondContact O-N 3.21Å; L568-S570 VanDerWaalsContact O-N 3.14Å; S570-K572 PolarHBondContact O-N 3.5Å; S570-K572 VanDerWaalsContact O-N 3.16Å; S570-K573 PolarHBondContact O-N 3.42Å
571L86.7Confident88.3Confident0 Ų049.9 Ų49.90%027%0.266CS..G310 helixtrans-58.3-28176.2-71.1178.9000112.1L542 L556 L568 N569 K573 M574 I594 L597L542-L571 HydrophobicContact CD2-CD2 3.76Å; L556-L571 HydrophobicContact CD2-CD2 4.07Å; L568-L571 HydrophobicContact CB-CD1 3.95Å; L568-L571 HydrophobicContact CB-CG 4.31Å; L568-L571 HydrophobicContact CD2-CD1 4.01Å; L568-L571 HydrophobicContact CD2-CG 4.2Å; L568-L571 HydrophobicContact CG-CD1 4.39Å; L568-L571 WeakPolarHBondContact O-CB 3.5Å; L568-L571 WeakPolarHBondContact O-CG 3.1Å; L568-L571 PolarHBondContact O-N 2.83Å; N569-L571 PolarHBondContact O-N 3.38Å; L571-K573 PolarHBondContact O-N 3.35Å; L571-M574 HydrophobicContact CD2-CE 4.33Å; L571-M574 HydrophobicContact CD2-SD 3.8Å; L571-M574 WeakPolarHBondContact O-CB 3.28Å; L571-M574 PolarHBondContact O-N 2.93Å; L571-I594 HydrophobicContact CD1-CG1 4.1Å; L571-L597 WeakPolarHBondContact O-CD2 3.5Å
572K87.9Confident88.7Confident105 Ų10546.2 Ų46.246%0.45725%0.249SC..G310 helixtrans-56.8-21.5179.5-61.7-174.9176.8-176.70113.7N569 S570 M574N569-K572 WeakPolarHBondContact O-CG 3.38Å; N569-K572 PolarHBondContact O-N 3.35Å; S570-K572 PolarHBondContact O-N 3.5Å; S570-K572 VanDerWaalsContact O-N 3.16Å; K572-M574 VanDerWaalsContact C-N 3.31Å
573K88.6Confident89.2Confident97 Ų9744.3 Ų44.342%0.42223%0.228SC..G310 helixtrans-72.2-21.4176.3-65.9-179.1174.9179.10113.2D548 S570 L571 V575D548-K573 IonicContact OD1-NZ 3.54Å; S570-K573 PolarHBondContact O-N 3.42Å; L571-K573 PolarHBondContact O-N 3.35Å; K573-V575 VanDerWaalsContact C-N 3.28Å; K573-V575 PolarHBondContact O-N 3.45Å
574M90.4Very high89.5Confident0 Ų047 Ų470%023%0.234CC..  trans-87.952.9-170.4-53.3-176.316600112.8L542 V546 T547 G550 L556 L571 K572 N576 L577 L597L542-M574 HydrophobicContact CD2-CE 3.9Å; V546-M574 HydrophobicContact CG1-CE 3.93Å; V546-M574 WeakPolarHBondContact O-CE 3.31Å; T547-M574 HydrophobicContact CG2-CE 3.85Å; G550-M574 WeakPolarHBondContact O-CA 3.46Å; L556-M574 HydrophobicContact CD2-CE 3.86Å; L556-M574 HydrophobicContact CD2-SD 3.64Å; L571-M574 HydrophobicContact CD2-CE 4.33Å; L571-M574 HydrophobicContact CD2-SD 3.8Å; L571-M574 WeakPolarHBondContact O-CB 3.28Å; L571-M574 PolarHBondContact O-N 2.93Å; K572-M574 VanDerWaalsContact C-N 3.31Å; M574-N576 PolarHBondContact O-N 3.43Å; M574-L577 HydrophobicContact CB-CB 4.45Å; M574-L577 WeakPolarHBondContact O-CB 3.44Å; M574-L577 PolarHBondContact O-N 3.32Å; M574-L577 VanDerWaalsContact O-N 3.09Å; M574-L597 HydrophobicContact CB-CD2 4.29Å; M574-L597 VanDerWaalsContact O-CD2 3.22Å; M574-L597 WeakPolarHBondContact O-CD2 3.28Å
575V88.7Confident89.8Confident74 Ų7443 Ų4345%0.44822%0.216SC..THydrogen-bonded Turntrans-62.3-19.7-167.6-64.10000115.1K573 N599K573-V575 VanDerWaalsContact C-N 3.28Å; K573-V575 PolarHBondContact O-N 3.45Å; V575-N599 PolarHBondContact O-ND2 2.97Å
576N92.1Very high90.1Very high79 Ų7945.2 Ų45.242%0.42223%0.229SC..THydrogen-bonded Turntrans-89.6-0.5179.8-104.611.5000114.5V551 L553 M574 T578V551-N576 WeakPolarHBondContact O-CB 3.43Å; L553-N576 CarbonylContact O-C 3.47Å; M574-N576 PolarHBondContact O-N 3.43Å; N576-T578 PolarHBondContact O-N 2.93Å
577L95.1Very high90.7Very high0 Ų041.3 Ų41.30%021%0.209CC..  trans-64.9124.8-177.3-149.275.5000110.9L553 L556 M574 L580 L597 N599 L600L553-L577 HydrophobicContact CB-CD1 4.33Å; L553-L577 HydrophobicContact CD2-CD1 4.17Å; L553-L577 HydrophobicContact CG-CD1 4.34Å; L556-L577 HydrophobicContact CB-CD1 3.81Å; L556-L577 HydrophobicContact CB-CD2 4.04Å; M574-L577 HydrophobicContact CB-CB 4.45Å; M574-L577 WeakPolarHBondContact O-CB 3.44Å; M574-L577 PolarHBondContact O-N 3.32Å; M574-L577 VanDerWaalsContact O-N 3.09Å; L577-L580 HydrophobicContact CD2-CB 3.81Å; L577-L580 HydrophobicContact CD2-CD1 3.79Å; L577-L580 HydrophobicContact CD2-CG 4.26Å; L577-L597 HydrophobicContact CD2-CD1 4.19Å; L577-N599 CarbonylContact O-C 3.55Å; L577-L600 HydrophobicContact CB-CD2 4.33Å; L577-L600 HydrophobicContact CD2-CD2 4.25Å; L577-L600 HydrophobicContact CG-CD2 4.39Å; L577-L600 PolarHBondContact O-N 3.38Å
578T96.2Very high91.7Very high30 Ų3041.9 Ų41.918%0.18421%0.207CC..SBendtrans-101.7-31.5175.2570000111.4Q554 N576 Q601 E602Q554-T578 PolarHBondContact O-N 3.39Å; Q554-T578 PolarHBondContact O-OG1 3.3Å; Q554-T578 VanDerWaalsContact O-OG1 3.06Å; N576-T578 PolarHBondContact O-N 2.93Å; T578-Q601 PolarHBondContact O-N 2.95Å; T578-E602 PolarHBondContact O-N 2.94Å
579E97.7Very high92.3Very high62 Ų6249.7 Ų49.729%0.2924%0.235SC..EExtended strand (participates in β ladder)trans-128.3126.2-179.4-60.5-176.7-153.100111Q554 K555 L556 E602Q554-E579 PolarHBondContact O-N 3.34Å; K555-E579 WeakPolarHBondContact CA-O 3.25Å; K555-E579 HydrophobicContact CB-CB 4.1Å; K555-E579 HydrophobicContact CD-CB 4.31Å; K555-E579 VanDerWaalsContact CD-OE2 3.29Å; K555-E579 WeakPolarHBondContact CD-OE2 3.47Å; K555-E579 WeakPolarHBondContact CE-OE2 3.45Å; K555-E579 HydrophobicContact CG-CB 3.9Å; K555-E579 IonicContact NZ-OE2 3.99Å; K555-E579 PolarHBondContact NZ-OE2 3.19Å; L556-E579 PolarHBondContact N-O 2.7Å; E579-E602 WeakPolarHBondContact CA-O 3.32Å; E579-E602 HydrophobicContact CG-CB 4.17Å
580L96.7Very high92.7Very high1 Ų144.4 Ų44.41%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-125.9121.1176.4179.363.3000110.6L556 L577 L582 I594 L597 L600 E602 I603 D604L556-L580 HydrophobicContact CB-CD1 4.24Å; L556-L580 HydrophobicContact CD2-CD1 4.22Å; L556-L580 HydrophobicContact CG-CD1 4.41Å; L577-L580 HydrophobicContact CD2-CB 3.81Å; L577-L580 HydrophobicContact CD2-CD1 3.79Å; L577-L580 HydrophobicContact CD2-CG 4.26Å; L580-L582 HydrophobicContact CD1-CD2 4.1Å; L580-L582 HydrophobicContact CD1-CG 4.15Å; L580-L582 HydrophobicContact CD2-CD1 4.35Å; L580-L582 HydrophobicContact CG-CG 4.2Å; L580-I594 HydrophobicContact CD2-CD1 3.85Å; L580-I594 HydrophobicContact CD2-CG1 3.86Å; L580-I594 HydrophobicContact CD2-CG2 4.13Å; L580-L597 HydrophobicContact CD2-CD1 4.45Å; L580-L600 HydrophobicContact CB-CD2 3.8Å; L580-E602 PolarHBondContact N-O 2.7Å; L580-I603 WeakPolarHBondContact O-CA 3.13Å; L580-D604 PolarHBondContact O-N 2.98Å
581E97.4Very high93Very high23 Ų2344.2 Ų44.211%0.10721%0.205CC..EExtended strand (participates in β ladder)trans-117.2119.1173.4-51.1174.1178.100109.5K555 L556 S557 I558 I583 D604K555-E581 WeakPolarHBondContact CE-OE1 3.35Å; K555-E581 IonicContact NZ-OE1 2.87Å; K555-E581 PolarHBondContact NZ-OE1 3.38Å; L556-E581 PolarHBondContact O-N 3.48Å; S557-E581 VanDerWaalsContact CB-OE2 3.25Å; S557-E581 WeakPolarHBondContact CB-OE2 3.46Å; S557-E581 PolarHBondContact OG-OE2 3.21Å; I558-E581 PolarHBondContact N-O 2.97Å; E581-I583 HydrophobicContact CB-CD1 3.98Å; E581-I583 HydrophobicContact CB-CG1 4.11Å; E581-D604 CarbonylContact C-O 3.43Å; E581-D604 WeakPolarHBondContact CA-O 3.39Å; E581-D604 HydrophobicContact CB-CB 4.27Å; E581-D604 HydrophobicContact CG-CB 4.08Å
582L95.7Very high93.1Very high0 Ų050.2 Ų50.20%023%0.233CC..EExtended strand (participates in β ladder)trans-120.489.2172.5-59.8177.7000108.3I558 L568 L580 L587 I594 D604 L605 N608I558-L582 HydrophobicContact CB-CD2 4.06Å; I558-L582 HydrophobicContact CD1-CD2 3.92Å; I558-L582 HydrophobicContact CG1-CD2 4.32Å; L568-L582 HydrophobicContact CD1-CD1 4.36Å; L580-L582 HydrophobicContact CD1-CD2 4.1Å; L580-L582 HydrophobicContact CD1-CG 4.15Å; L580-L582 HydrophobicContact CD2-CD1 4.35Å; L580-L582 HydrophobicContact CG-CG 4.2Å; L582-L587 HydrophobicContact CB-CD1 3.98Å; L582-L587 HydrophobicContact CD1-CD1 3.95Å; L582-I594 HydrophobicContact CD1-CD1 4.07Å; L582-D604 PolarHBondContact N-O 2.69Å; L582-L605 HydrophobicContact CB-CD2 3.77Å; L582-L605 HydrophobicContact CD1-CD2 3.95Å; L582-L605 HydrophobicContact CG-CD2 4.15Å; L582-N608 PolarHBondContact O-ND2 3.35Å
583I96.6Very high93.2Very high5 Ų545.3 Ų45.33%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-103.4130.2-169-57.3168.1000108.8I558 N559 N560 E581 C585 K606I558-I583 PolarHBondContact O-N 3.01Å; N559-I583 VanDerWaalsContact CA-O 3.28Å; N559-I583 WeakPolarHBondContact CA-O 3.4Å; N559-I583 HydrophobicContact CB-CB 4.25Å; N559-I583 HydrophobicContact CB-CG2 4.45Å; N560-I583 PolarHBondContact N-O 3.02Å; E581-I583 HydrophobicContact CB-CD1 3.98Å; E581-I583 HydrophobicContact CB-CG1 4.11Å; I583-C585 VanDerWaalsContact C-N 3.25Å; I583-C585 PolarHBondContact O-N 3.26Å; I583-C585 PolarHBondContact O-SG 2.97Å; I583-K606 HydrophobicContact CB-CG 4.1Å; I583-K606 HydrophobicContact CD1-CD 4.46Å; I583-K606 HydrophobicContact CG1-CD 4.16Å; I583-K606 HydrophobicContact CG1-CG 3.91Å; I583-K606 HydrophobicContact CG2-CD 4.08Å; I583-K606 HydrophobicContact CG2-CG 3.63Å
584R95.6Very high93.3Very high96 Ų9640.7 Ų40.736%0.36219%0.192SC..SBendtrans53.143.6176.1-65.2178.857.4-176.1-6.1113N560 E561 G562 K606 D607N560-R584 CarbonylContact C-O 3.54Å; N560-R584 WeakPolarHBondContact CB-O 3.46Å; E561-R584 PolarHBondContact O-NH2 3.38Å; G562-R584 WeakPolarHBondContact CA-O 3.28Å; G562-R584 PolarHBondContact N-O 3.32Å; R584-K606 PolarHBondContact N-O 3.45Å; R584-D607 VanDerWaalsContact CA-O 3.22Å; R584-D607 WeakPolarHBondContact CA-O 3.44Å; R584-D607 WeakPolarHBondContact CD-OD2 3.36Å; R584-D607 HydrophobicContact CG-CB 3.69Å; R584-D607 WeakPolarHBondContact CG-OD2 3.32Å; R584-D607 PolarHBondContact N-O 3.39Å
585C94.9Very high93.2Very high0 Ų041.3 Ų41.30%019%0.194CC..  trans-98.55.3-176.5-70.10000113.6N560 T563 L565 I583 L587 N608N560-C585 HydrophobicContact CB-CB 4.34Å; T563-C585 CarbonylContact O-C 3.12Å; L565-C585 HydrophobicContact CB-CB 4.21Å; L565-C585 PolarHBondContact N-O 3.15Å; L565-C585 VanDerWaalsContact N-O 3.15Å; I583-C585 VanDerWaalsContact C-N 3.25Å; I583-C585 PolarHBondContact O-N 3.26Å; I583-C585 PolarHBondContact O-SG 2.97Å; C585-L587 HydrophobicContact CB-CD1 4.02Å; C585-L587 HydrophobicContact CB-CD2 4.23Å; C585-L587 HydrophobicContact CB-CG 3.7Å; C585-L587 PolarHBondContact O-N 3.19Å; C585-N608 WeakPolarHBondContact CA-OD1 3.37Å; C585-N608 WeakPolarHBondContact CB-OD1 3.41Å; C585-N608 PolarHBondContact N-OD1 3.01Å
586D94.4Very high93.3Very high55 Ų5539.6 Ų39.629%0.29419%0.186SC..  trans48.742.4-173-172.541.6000112.3K564 E588 N608K564-D586 HydrophobicContact CB-CB 4.25Å; K564-D586 HydrophobicContact CG-CB 4.5Å; D586-E588 PolarHBondContact O-N 2.87Å; D586-N608 PolarHBondContact N-OD1 3.15Å
587L92.8Very high93.3Very high12 Ų1235.9 Ų35.96%0.06317%0.166CC..  trans-78.4121176.7-59.8174.2000109.5L568 L582 C585 N608 N609 L610L568-L587 HydrophobicContact CD1-CD2 4.1Å; L582-L587 HydrophobicContact CB-CD1 3.98Å; L582-L587 HydrophobicContact CD1-CD1 3.95Å; C585-L587 HydrophobicContact CB-CD1 4.02Å; C585-L587 HydrophobicContact CB-CD2 4.23Å; C585-L587 HydrophobicContact CB-CG 3.7Å; C585-L587 PolarHBondContact O-N 3.19Å; L587-N608 HydrophobicContact CB-CB 4.12Å; L587-N608 PolarHBondContact N-OD1 3.36Å; L587-N609 CarbonylContact O-C 3.54Å; L587-N609 WeakPolarHBondContact O-CA 3.34Å; L587-N609 PolarHBondContact O-N 3.39Å; L587-L610 HydrophobicContact CB-CD2 4.2Å; L587-L610 WeakPolarHBondContact O-CD2 3.4Å; L587-L610 PolarHBondContact O-N 3.18Å
588E92.6Very high93.1Very high96 Ų9640 Ų4045%0.44919%0.185SC..SBendtrans-85.1-24.6173-67.9174.1-136.600112.6K564 D586 N609K564-E588 IonicContact NZ-OE1 2.78Å; K564-E588 PolarHBondContact NZ-OE1 2.95Å; D586-E588 PolarHBondContact O-N 2.87Å; E588-N609 HydrophobicContact CG-CB 4.45Å
589R91.5Very high92.9Very high173 Ų17340.2 Ų40.265%0.65319%0.185SC*.SBendtrans-141.2157.2179.7-70.6-172.8-178.21651.8111.4P591 L610 E615R589-P591 WeakPolarHBondContact O-CD 3.47Å; R589-L610 VanDerWaalsContact C-CD2 3.49Å; R589-E615 WeakPolarHBondContact CD-OE1 3.3Å; R589-E615 WeakPolarHBondContact CG-OE1 3.19Å
590I91.6Very high92.8Very high3 Ų337.3 Ų37.32%0.01517%0.171CC..  trans-73.7124175.2-55.7-178.3000109.3H592 I594 F595 L605 L610 I613 E615 F619I590-H592 PolarHBondContact O-N 2.95Å; I590-I594 HydrophobicContact CG2-CD1 4.22Å; I590-F595 HydrophobicContact CG2-CE1 4.47Å; I590-F595 HydrophobicContact CG2-CZ 3.97Å; I590-L605 HydrophobicContact CB-CD1 4.48Å; I590-L605 HydrophobicContact CD1-CD1 4.04Å; I590-L605 HydrophobicContact CG1-CD1 3.82Å; I590-L605 HydrophobicContact CG2-CD1 4.1Å; I590-L610 HydrophobicContact CG1-CD1 4.31Å; I590-L610 HydrophobicContact CG1-CD2 4.27Å; I590-I613 HydrophobicContact CD1-CB 4.46Å; I590-I613 HydrophobicContact CD1-CG2 4.2Å; I590-E615 HydrophobicContact CB-CB 4.27Å; I590-F619 HydrophobicContact CD1-CE2 4.24Å; I590-F619 HydrophobicContact CD1-CZ 4.11Å; I590-F619 HydrophobicContact CG2-CZ 4.4Å
591P90.3Very high92.8Very high18 Ų1841.6 Ų41.612%0.11719%0.191CC..  trans-65128.4-178.6-18.728.1000113.3L568 R589 S593 I594L568-P591 HydrophobicContact CB-CB 3.97Å; L568-P591 HydrophobicContact CB-CG 4.32Å; L568-P591 HydrophobicContact CD1-CB 3.92Å; L568-P591 HydrophobicContact CD1-CG 3.3Å; L568-P591 HydrophobicContact CG-CG 4.43Å; R589-P591 WeakPolarHBondContact O-CD 3.47Å; P591-S593 PolarHBondContact O-N 3.22Å; P591-I594 HydrophobicContact CB-CD1 4.3Å; P591-I594 HydrophobicContact CB-CG1 4.28Å; P591-I594 HydrophobicContact CG-CD1 4.05Å; P591-I594 WeakPolarHBondContact O-CB 3.4Å; P591-I594 PolarHBondContact O-N 2.95Å; P591-I594 VanDerWaalsContact O-N 3.09Å
592H88.5Confident92.8Very high126 Ų12642 Ų4258%0.58319%0.194SC*.G310 helixtrans-60.9-21.2-179.3-62.9-64.3000115.1I590 I594 F595I590-H592 PolarHBondContact O-N 2.95Å; H592-I594 VanDerWaalsContact C-N 3.26Å; H592-I594 PolarHBondContact O-N 3.44Å; H592-F595 VanDerWaalsContact CA-CD2 3.49Å; H592-F595 HydrophobicContact CB-CD2 4.22Å; H592-F595 HydrophobicContact CB-CE2 4.34Å; H592-F595 AromaticContact ND1-CE2 3.71Å; H592-F595 VanDerWaalsContact O-CD2 3.23Å; H592-F595 WeakPolarHBondContact O-CD2 3.36Å; H592-F595 PolarHBondContact O-N 3.32Å
593S89.1Confident92.8Very high1 Ų142 Ų421%0.00719%0.194CC..G310 helixtrans-67.4-24.117748.20000113.9L568 P591 F595 S596L568-S593 WeakPolarHBondContact O-CB 3.39Å; L568-S593 PolarHBondContact O-OG 3.43Å; P591-S593 PolarHBondContact O-N 3.22Å; S593-F595 PolarHBondContact O-N 2.97Å; S593-S596 PolarHBondContact O-N 3.44Å
594I91.3Very high92.9Very high0 Ų042 Ų420%019%0.194CC..G310 helixtrans-63-32.3177.5-62178.2000110.5L571 L580 L582 I590 P591 H592 S596 L597 L600 I603L571-I594 HydrophobicContact CD1-CG1 4.1Å; L580-I594 HydrophobicContact CD2-CD1 3.85Å; L580-I594 HydrophobicContact CD2-CG1 3.86Å; L580-I594 HydrophobicContact CD2-CG2 4.13Å; L582-I594 HydrophobicContact CD1-CD1 4.07Å; I590-I594 HydrophobicContact CG2-CD1 4.22Å; P591-I594 HydrophobicContact CB-CD1 4.3Å; P591-I594 HydrophobicContact CB-CG1 4.28Å; P591-I594 HydrophobicContact CG-CD1 4.05Å; P591-I594 WeakPolarHBondContact O-CB 3.4Å; P591-I594 PolarHBondContact O-N 2.95Å; P591-I594 VanDerWaalsContact O-N 3.09Å; H592-I594 VanDerWaalsContact C-N 3.26Å; H592-I594 PolarHBondContact O-N 3.44Å; I594-S596 PolarHBondContact O-N 2.85Å; I594-L597 VanDerWaalsContact O-CB 3.29Å; I594-L597 WeakPolarHBondContact O-CB 3.48Å; I594-L597 PolarHBondContact O-N 3.38Å; I594-L600 HydrophobicContact CG2-CD1 3.66Å; I594-I603 HydrophobicContact CG2-CD1 4.02Å
595F89.3Confident92.9Very high13 Ų1337.5 Ų37.56%0.05718%0.176CC..G310 helixtrans-69.9-12.1-178.5-50-57.5000114I590 H592 S593 L597 E615 S618 F619I590-F595 HydrophobicContact CG2-CE1 4.47Å; I590-F595 HydrophobicContact CG2-CZ 3.97Å; H592-F595 VanDerWaalsContact CA-CD2 3.49Å; H592-F595 HydrophobicContact CB-CD2 4.22Å; H592-F595 HydrophobicContact CB-CE2 4.34Å; H592-F595 AromaticContact ND1-CE2 3.71Å; H592-F595 VanDerWaalsContact O-CD2 3.23Å; H592-F595 WeakPolarHBondContact O-CD2 3.36Å; H592-F595 PolarHBondContact O-N 3.32Å; S593-F595 PolarHBondContact O-N 2.97Å; F595-L597 VanDerWaalsContact C-N 3.28Å; F595-E615 HydrophobicContact CE2-CB 4.12Å; F595-E615 HydrophobicContact CZ-CB 3.72Å; F595-E615 VanDerWaalsContact CZ-O 3.27Å; F595-E615 WeakPolarHBondContact CZ-O 3.47Å; F595-S618 VanDerWaalsContact CD2-CB 3.42Å; F595-S618 VanDerWaalsContact CG-CB 3.43Å; F595-F619 AromaticContact CD1-CD1 3.65Å; F595-F619 HydrophobicContact CD1-CD1 3.65Å; F595-F619 AromaticContact CD1-CE1 3.94Å; F595-F619 HydrophobicContact CD1-CE1 3.94Å; F595-F619 HydrophobicContact CD1-CG 4.43Å; F595-F619 AromaticContact CE1-CD1 3.39Å; F595-F619 HydrophobicContact CE1-CD1 3.39Å; F595-F619 AromaticContact CE1-CE1 3.41Å; F595-F619 HydrophobicContact CE1-CE1 3.41Å; F595-F619 VanDerWaalsContact CE1-CE1 3.41Å; F595-F619 AromaticContact CE1-CG 4Å; F595-F619 HydrophobicContact CE1-CG 4Å; F595-F619 AromaticContact CE1-CZ 4Å; F595-F619 HydrophobicContact CE1-CZ 4Å; F595-F619 HydrophobicContact CZ-CE1 4.47Å
596S90.3Very high93Very high38 Ų3840.5 Ų40.527%0.26619%0.189SC..G310 helixtrans-82-6.3172.1-55.60000113S593 I594 H598S593-S596 PolarHBondContact O-N 3.44Å; I594-S596 PolarHBondContact O-N 2.85Å; S596-H598 PolarHBondContact O-CD2 3.35Å; S596-H598 PolarHBondContact O-N 2.59Å
597L91.9Very high93Very high1 Ų141.7 Ų41.71%0.00520%0.196CC..  trans-94.371.3-174.6-58.1-178.6000111.4L571 M574 L577 L580 I594 F595 N599 L600 L622L571-L597 WeakPolarHBondContact O-CD2 3.5Å; M574-L597 HydrophobicContact CB-CD2 4.29Å; M574-L597 VanDerWaalsContact O-CD2 3.22Å; M574-L597 WeakPolarHBondContact O-CD2 3.28Å; L577-L597 HydrophobicContact CD2-CD1 4.19Å; L580-L597 HydrophobicContact CD2-CD1 4.45Å; I594-L597 VanDerWaalsContact O-CB 3.29Å; I594-L597 WeakPolarHBondContact O-CB 3.48Å; I594-L597 PolarHBondContact O-N 3.38Å; F595-L597 VanDerWaalsContact C-N 3.28Å; L597-N599 PolarHBondContact O-N 3.13Å; L597-L600 HydrophobicContact CB-CD1 3.53Å; L597-L600 HydrophobicContact CB-CG 3.67Å; L597-L600 HydrophobicContact CD1-CD1 3.86Å; L597-L600 HydrophobicContact CD1-CG 4.34Å; L597-L600 HydrophobicContact CG-CD1 4.29Å; L597-L600 WeakPolarHBondContact O-CB 3.41Å; L597-L600 WeakPolarHBondContact O-CG 3.33Å; L597-L600 PolarHBondContact O-N 2.91Å; L597-L622 VanDerWaalsContact O-CD2 3.25Å; L597-L622 WeakPolarHBondContact O-CD2 3.27Å
598H90.6Very high93.2Very high88 Ų8841.7 Ų41.741%0.40720%0.196SC..THydrogen-bonded Turntrans-57.7-21-171.9-57-60.6000115.7S596 H621 Y623S596-H598 PolarHBondContact O-CD2 3.35Å; S596-H598 PolarHBondContact O-N 2.59Å; H598-H621 PolarHBondContact ND1-O 3.47Å; H598-Y623 HydrophobicContact CB-CE1 3.85Å
599N92.9Very high93.3Very high34 Ų3438.9 Ų38.918%0.18218%0.184CC..THydrogen-bonded Turntrans-88-3.2179.9-73.2-43000114.4V575 L577 L597 Q601 R624V575-N599 PolarHBondContact O-ND2 2.97Å; L577-N599 CarbonylContact O-C 3.55Å; L597-N599 PolarHBondContact O-N 3.13Å; N599-Q601 PolarHBondContact O-N 3.4Å; N599-R624 PolarHBondContact OD1-NH1 3.04Å
600L95.2Very high93.5Very high0 Ų030.7 Ų30.70%015%0.153CC..  trans-60.4127.5-179.1-80.5175.7000111.6L577 L580 I594 L597 I603 L622 R624 L625L577-L600 HydrophobicContact CB-CD2 4.33Å; L577-L600 HydrophobicContact CD2-CD2 4.25Å; L577-L600 HydrophobicContact CG-CD2 4.39Å; L577-L600 PolarHBondContact O-N 3.38Å; L580-L600 HydrophobicContact CB-CD2 3.8Å; I594-L600 HydrophobicContact CG2-CD1 3.66Å; L597-L600 HydrophobicContact CB-CD1 3.53Å; L597-L600 HydrophobicContact CB-CG 3.67Å; L597-L600 HydrophobicContact CD1-CD1 3.86Å; L597-L600 HydrophobicContact CD1-CG 4.34Å; L597-L600 HydrophobicContact CG-CD1 4.29Å; L597-L600 WeakPolarHBondContact O-CB 3.41Å; L597-L600 WeakPolarHBondContact O-CG 3.33Å; L597-L600 PolarHBondContact O-N 2.91Å; L600-I603 HydrophobicContact CD1-CD1 3.9Å; L600-I603 HydrophobicContact CD1-CG1 4.01Å; L600-L622 HydrophobicContact CB-CD1 4.46Å; L600-L622 HydrophobicContact CD1-CD1 4.21Å; L600-R624 CarbonylContact O-C 3.58Å; L600-L625 WeakPolarHBondContact O-CA 3.33Å; L600-L625 PolarHBondContact O-N 3.44Å
601Q96Very high93.6Very high91 Ų9135.8 Ų35.843%0.42518%0.175SC..  trans-109-34.7175.9-59.2-179.621.100110.8T578 N599 R624 V626 C627T578-Q601 PolarHBondContact O-N 2.95Å; N599-Q601 PolarHBondContact O-N 3.4Å; Q601-R624 WeakPolarHBondContact CA-O 3.34Å; Q601-R624 HydrophobicContact CG-CB 4.44Å; Q601-V626 PolarHBondContact O-N 3.23Å; Q601-C627 PolarHBondContact O-N 3.37Å
602E97.7Very high93.7Very high33 Ų3337 Ų3715%0.15418%0.183CC..EExtended strand (participates in β ladder)trans-132.6133-179.4-174.5163.1150.300112T578 E579 L580 C627 K629T578-E602 PolarHBondContact O-N 2.94Å; E579-E602 WeakPolarHBondContact CA-O 3.32Å; E579-E602 HydrophobicContact CG-CB 4.17Å; L580-E602 PolarHBondContact N-O 2.7Å; E602-C627 WeakPolarHBondContact CA-O 3.26Å; E602-C627 HydrophobicContact CB-CB 4.2Å; E602-C627 HydrophobicContact CG-CB 3.87Å; E602-K629 WeakPolarHBondContact OE1-CE 3.24Å; E602-K629 IonicContact OE1-NZ 3.62Å; E602-K629 PolarHBondContact OE1-NZ 3.06Å
603I96.8Very high93.8Very high0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-128.2125.5174.8-61.9174000108.9L580 I594 L600 L605 F619 L622 L625 C627 L628 K629L580-I603 WeakPolarHBondContact O-CA 3.13Å; I594-I603 HydrophobicContact CG2-CD1 4.02Å; L600-I603 HydrophobicContact CD1-CD1 3.9Å; L600-I603 HydrophobicContact CD1-CG1 4.01Å; I603-L605 HydrophobicContact CG2-CD1 4.27Å; I603-L605 HydrophobicContact CG2-CD2 4.07Å; I603-L605 HydrophobicContact CG2-CG 3.8Å; I603-F619 HydrophobicContact CD1-CE1 3.83Å; I603-F619 HydrophobicContact CD1-CZ 4.42Å; I603-L622 HydrophobicContact CD1-CD1 3.61Å; I603-L625 HydrophobicContact CB-CD1 4.36Å; I603-L625 HydrophobicContact CD1-CD1 3.71Å; I603-L625 HydrophobicContact CD1-CD2 4.44Å; I603-L625 HydrophobicContact CG1-CD1 3.75Å; I603-C627 PolarHBondContact N-O 3.23Å; I603-L628 HydrophobicContact CB-CD1 4.2Å; I603-L628 HydrophobicContact CG2-CD1 4.31Å; I603-K629 PolarHBondContact O-N 3.43Å
604D97.6Very high93.7Very high5 Ų534.3 Ų34.33%0.02717%0.17CC..EExtended strand (participates in β ladder)trans-120.7110172.6-168.6-4.6000111.1L580 E581 L582 K606 K629 W631L580-D604 PolarHBondContact O-N 2.98Å; E581-D604 CarbonylContact C-O 3.43Å; E581-D604 WeakPolarHBondContact CA-O 3.39Å; E581-D604 HydrophobicContact CB-CB 4.27Å; E581-D604 HydrophobicContact CG-CB 4.08Å; L582-D604 PolarHBondContact N-O 2.69Å; D604-K606 VanDerWaalsContact OD1-CB 3.31Å; D604-K606 WeakPolarHBondContact OD1-CB 3.48Å; D604-K606 PolarHBondContact OD1-N 3.46Å; D604-K606 VanDerWaalsContact OD1-N 3.14Å; D604-K606 IonicContact OD2-NZ 2.78Å; D604-K629 HydrophobicContact CB-CB 4.1Å; D604-K629 HydrophobicContact CB-CD 3.99Å; D604-W631 PolarHBondContact OD1-NE1 2.79Å
605L96.4Very high93.4Very high0 Ų035.3 Ų35.30%018%0.175CC..  trans-113.140.1177.2-53179.3000111.7L582 I590 I603 N608 L610 K629 L630 N633L582-L605 HydrophobicContact CB-CD2 3.77Å; L582-L605 HydrophobicContact CD1-CD2 3.95Å; L582-L605 HydrophobicContact CG-CD2 4.15Å; I590-L605 HydrophobicContact CB-CD1 4.48Å; I590-L605 HydrophobicContact CD1-CD1 4.04Å; I590-L605 HydrophobicContact CG1-CD1 3.82Å; I590-L605 HydrophobicContact CG2-CD1 4.1Å; I603-L605 HydrophobicContact CG2-CD1 4.27Å; I603-L605 HydrophobicContact CG2-CD2 4.07Å; I603-L605 HydrophobicContact CG2-CG 3.8Å; L605-N608 PolarHBondContact O-ND2 3.05Å; L605-L610 HydrophobicContact CB-CD1 3.95Å; L605-L610 HydrophobicContact CD1-CD1 4.08Å; L605-K629 PolarHBondContact N-O 3.19Å; L605-L630 HydrophobicContact CB-CD2 3.99Å; L605-L630 HydrophobicContact CD1-CD2 3.93Å; L605-L630 HydrophobicContact CG-CD2 4.24Å; L605-N633 PolarHBondContact O-ND2 3.4Å
606K95.8Very high93Very high63 Ų6334.7 Ų34.727%0.27417%0.172SC..  trans-66.5152.8-17779.5-167.5180-162.90115.4I583 R584 D604 N608 W631I583-K606 HydrophobicContact CB-CG 4.1Å; I583-K606 HydrophobicContact CD1-CD 4.46Å; I583-K606 HydrophobicContact CG1-CD 4.16Å; I583-K606 HydrophobicContact CG1-CG 3.91Å; I583-K606 HydrophobicContact CG2-CD 4.08Å; I583-K606 HydrophobicContact CG2-CG 3.63Å; R584-K606 PolarHBondContact N-O 3.45Å; D604-K606 VanDerWaalsContact OD1-CB 3.31Å; D604-K606 WeakPolarHBondContact OD1-CB 3.48Å; D604-K606 PolarHBondContact OD1-N 3.46Å; D604-K606 VanDerWaalsContact OD1-N 3.14Å; D604-K606 IonicContact OD2-NZ 2.78Å; K606-N608 PolarHBondContact O-N 3.5Å; K606-N608 PolarHBondContact O-ND2 2.92Å; K606-W631 WeakPolarHBondContact CA-O 3.28Å; K606-W631 HydrophobicContact CB-CG 4.4Å; K606-W631 HydrophobicContact CD-CZ2 4.49Å
607D96.2Very high92.5Very high81 Ų8136.5 Ų36.543%0.43318%0.178SC..SBendtrans55.345.3168.8-156.512000110.6R584 W631 Y632R584-D607 VanDerWaalsContact CA-O 3.22Å; R584-D607 WeakPolarHBondContact CA-O 3.44Å; R584-D607 WeakPolarHBondContact CD-OD2 3.36Å; R584-D607 HydrophobicContact CG-CB 3.69Å; R584-D607 WeakPolarHBondContact CG-OD2 3.32Å; R584-D607 PolarHBondContact N-O 3.39Å; D607-W631 PolarHBondContact N-O 3.1Å; D607-Y632 WeakPolarHBondContact CA-O 3.29Å; D607-Y632 PolarHBondContact N-O 3.42Å
608N96.1Very high92.3Very high11 Ų1138.1 Ų38.16%0.05919%0.189CC..SBendtrans-112.6-178.5174.1-74.6-66.8000109.1L582 C585 D586 L587 L605 K606 L610 N633L582-N608 PolarHBondContact O-ND2 3.35Å; C585-N608 WeakPolarHBondContact CA-OD1 3.37Å; C585-N608 WeakPolarHBondContact CB-OD1 3.41Å; C585-N608 PolarHBondContact N-OD1 3.01Å; D586-N608 PolarHBondContact N-OD1 3.15Å; L587-N608 HydrophobicContact CB-CB 4.12Å; L587-N608 PolarHBondContact N-OD1 3.36Å; L605-N608 PolarHBondContact O-ND2 3.05Å; K606-N608 PolarHBondContact O-N 3.5Å; K606-N608 PolarHBondContact O-ND2 2.92Å; N608-L610 HydrophobicContact CB-CG 4.07Å; N608-N633 WeakPolarHBondContact CA-OD1 3.41Å; N608-N633 VanDerWaalsContact CB-OD1 3.26Å; N608-N633 WeakPolarHBondContact CB-OD1 3.28Å; N608-N633 PolarHBondContact N-OD1 2.99Å; N608-N633 PolarHBondContact O-OD1 3.42Å
609N95Very high91.9Very high38 Ų3834 Ų3420%0.20317%0.17CC..  trans-10233.6179.9-161.416.6000111.6L587 E588 K611 Q634L587-N609 CarbonylContact O-C 3.54Å; L587-N609 WeakPolarHBondContact O-CA 3.34Å; L587-N609 PolarHBondContact O-N 3.39Å; E588-N609 HydrophobicContact CG-CB 4.45Å; N609-K611 PolarHBondContact O-N 2.82Å; N609-Q634 PolarHBondContact OD1-NE2 3.36Å; N609-Q634 PolarHBondContact OD1-OE1 3Å
610L95.3Very high91.2Very high0 Ų038.1 Ų38.10%019%0.188CC..  trans-70.1115.9-177.2-58.6174.9000109.6L587 R589 I590 L605 N608 L630 N633 Q634 I635L587-L610 HydrophobicContact CB-CD2 4.2Å; L587-L610 WeakPolarHBondContact O-CD2 3.4Å; L587-L610 PolarHBondContact O-N 3.18Å; R589-L610 VanDerWaalsContact C-CD2 3.49Å; I590-L610 HydrophobicContact CG1-CD1 4.31Å; I590-L610 HydrophobicContact CG1-CD2 4.27Å; L605-L610 HydrophobicContact CB-CD1 3.95Å; L605-L610 HydrophobicContact CD1-CD1 4.08Å; N608-L610 HydrophobicContact CB-CG 4.07Å; L610-L630 HydrophobicContact CD1-CD2 4.24Å; L610-N633 HydrophobicContact CB-CB 4.15Å; L610-N633 VanDerWaalsContact CB-OD1 3.29Å; L610-N633 WeakPolarHBondContact CB-OD1 3.36Å; L610-N633 VanDerWaalsContact CG-OD1 3.31Å; L610-N633 WeakPolarHBondContact CG-OD1 3.41Å; L610-N633 PolarHBondContact N-OD1 3.25Å; L610-Q634 CarbonylContact O-C 3.54Å; L610-Q634 VanDerWaalsContact O-CA 3.31Å; L610-Q634 WeakPolarHBondContact O-CA 3.15Å; L610-Q634 PolarHBondContact O-N 3.32Å; L610-I635 HydrophobicContact CB-CG1 4.4Å; L610-I635 PolarHBondContact O-N 3.49Å; L610-I635 VanDerWaalsContact O-N 3.16Å
611K94.2Very high90.7Very high111 Ų11142.1 Ų42.148%0.48321%0.207SC..  trans-95.5-30.7177.8-65.2178.3-176.8175.10113N609 Q634 I635 A636N609-K611 PolarHBondContact O-N 2.82Å; K611-Q634 HydrophobicContact CG-CB 4.12Å; K611-I635 WeakPolarHBondContact O-CA 3.32Å; K611-A636 PolarHBondContact O-N 3.39Å
612T91.8Very high90.4Very high44 Ų4438 Ų3827%0.2719%0.187SC..  trans-134.3157.1-179.158.90000109.2
613I90.6Very high89.8Confident2 Ų242.2 Ų42.21%0.0120%0.203CC..  trans-13131.9176.258.4-176000110.4I590 E615 I616 L630 I635 P639I590-I613 HydrophobicContact CD1-CB 4.46Å; I590-I613 HydrophobicContact CD1-CG2 4.2Å; I613-E615 PolarHBondContact O-N 3.48Å; I613-E615 VanDerWaalsContact O-N 3.13Å; I613-I616 HydrophobicContact CB-CD1 3.74Å; I613-I616 HydrophobicContact CB-CG1 4.04Å; I613-I616 HydrophobicContact CD1-CD1 3.47Å; I613-I616 VanDerWaalsContact CD1-CD1 3.47Å; I613-I616 HydrophobicContact CG1-CD1 3.59Å; I613-I616 HydrophobicContact CG1-CG1 4.34Å; I613-I616 WeakPolarHBondContact O-CB 3.49Å; I613-I616 WeakPolarHBondContact O-CG1 3.39Å; I613-I616 PolarHBondContact O-N 3.45Å; I613-L630 HydrophobicContact CD1-CD1 4.28Å; I613-L630 HydrophobicContact CG2-CD1 4.2Å; I613-I635 HydrophobicContact CD1-CD1 4.4Å; I613-I635 HydrophobicContact CD1-CG2 3.95Å; I613-I635 HydrophobicContact CG1-CG2 4.24Å; I613-I635 HydrophobicContact CG2-CD1 3.63Å; I613-I635 HydrophobicContact CG2-CG1 3.97Å; I613-I635 HydrophobicContact CG2-CG2 4.46Å; I613-P639 HydrophobicContact CG1-CG 3.95Å
614E86.3Confident89.6Confident67 Ų6747.8 Ų47.831%0.31322%0.224SC..G310 helixtrans-56.7-26.8177.1-73.6-6113100112.2I616 I617 Y637E614-I616 PolarHBondContact O-N 3.47Å; E614-I617 WeakPolarHBondContact O-CD1 3.35Å; E614-I617 VanDerWaalsContact O-CG1 3.26Å; E614-I617 WeakPolarHBondContact O-CG1 3.3Å; E614-I617 PolarHBondContact O-N 3.07Å; E614-Y637 WeakPolarHBondContact OE1-CE2 3.22Å; E614-Y637 PolarHBondContact OE1-OH 2.95Å
615E85.3Confident89.5Confident22 Ų2247.7 Ų47.710%0.10322%0.224CC..G310 helixtrans-64.2-10.1175.6-56.686168.100113.1R589 I590 F595 I613 I617 S618R589-E615 WeakPolarHBondContact CD-OE1 3.3Å; R589-E615 WeakPolarHBondContact CG-OE1 3.19Å; I590-E615 HydrophobicContact CB-CB 4.27Å; F595-E615 HydrophobicContact CE2-CB 4.12Å; F595-E615 HydrophobicContact CZ-CB 3.72Å; F595-E615 VanDerWaalsContact CZ-O 3.27Å; F595-E615 WeakPolarHBondContact CZ-O 3.47Å; I613-E615 PolarHBondContact O-N 3.48Å; I613-E615 VanDerWaalsContact O-N 3.13Å; E615-I617 PolarHBondContact O-N 3.38Å; E615-I617 VanDerWaalsContact O-N 3.09Å; E615-S618 WeakPolarHBondContact O-CB 3.38Å; E615-S618 PolarHBondContact O-N 2.98Å
616I80.9Confident89.5Confident0 Ų049.7 Ų49.70%024%0.236CC..G310 helixtrans-53-26.8170.1-74.6179.8000112.5I613 E614 S618 F619 P639 Q641 I642 L645I613-I616 HydrophobicContact CB-CD1 3.74Å; I613-I616 HydrophobicContact CB-CG1 4.04Å; I613-I616 HydrophobicContact CD1-CD1 3.47Å; I613-I616 VanDerWaalsContact CD1-CD1 3.47Å; I613-I616 HydrophobicContact CG1-CD1 3.59Å; I613-I616 HydrophobicContact CG1-CG1 4.34Å; I613-I616 WeakPolarHBondContact O-CB 3.49Å; I613-I616 WeakPolarHBondContact O-CG1 3.39Å; I613-I616 PolarHBondContact O-N 3.45Å; E614-I616 PolarHBondContact O-N 3.47Å; I616-S618 PolarHBondContact O-N 3.39Å; I616-F619 VanDerWaalsContact CA-CD2 3.49Å; I616-F619 HydrophobicContact CB-CD2 3.86Å; I616-F619 HydrophobicContact CB-CE2 4.32Å; I616-F619 HydrophobicContact CD1-CE2 4.46Å; I616-F619 HydrophobicContact CG1-CD2 3.51Å; I616-F619 HydrophobicContact CG1-CE2 3.51Å; I616-F619 HydrophobicContact CG2-CD2 4.05Å; I616-F619 WeakPolarHBondContact O-CB 3.44Å; I616-F619 PolarHBondContact O-N 3.42Å; I616-P639 HydrophobicContact CB-CG 4.2Å; I616-P639 HydrophobicContact CD1-CG 4.11Å; I616-Q641 HydrophobicContact CG2-CB 4.33Å; I616-I642 HydrophobicContact CD1-CD1 3.9Å; I616-L645 HydrophobicContact CG2-CD1 4.49Å
617I80.9Confident89.6Confident76 Ų7646.8 Ų46.839%0.3922%0.223SC..G310 helixtrans-50.5-36173.3-61162.1000110.8E614 E615 Q620 Q641E614-I617 WeakPolarHBondContact O-CD1 3.35Å; E614-I617 VanDerWaalsContact O-CG1 3.26Å; E614-I617 WeakPolarHBondContact O-CG1 3.3Å; E614-I617 PolarHBondContact O-N 3.07Å; E615-I617 PolarHBondContact O-N 3.38Å; E615-I617 VanDerWaalsContact O-N 3.09Å; I617-Q620 WeakPolarHBondContact O-CG 3.48Å; I617-Q641 HydrophobicContact CG1-CB 4.2Å; I617-Q641 HydrophobicContact CG1-CG 3.77Å
618S86.5Confident89.6Confident34 Ų3443 Ų4324%0.23820%0.203CC..G310 helixtrans-83-7.2-180-620000114.2F595 E615 I616 Q620 H621F595-S618 VanDerWaalsContact CD2-CB 3.42Å; F595-S618 VanDerWaalsContact CG-CB 3.43Å; E615-S618 WeakPolarHBondContact O-CB 3.38Å; E615-S618 PolarHBondContact O-N 2.98Å; I616-S618 PolarHBondContact O-N 3.39Å; S618-Q620 PolarHBondContact O-N 3.36Å; S618-H621 PolarHBondContact O-N 3.3Å; S618-H621 PolarHBondContact O-ND1 2.95Å
619F82.1Confident89.7Confident1 Ų144 Ų440%0.00421%0.206CC..G310 helixtrans-71.9-11175-75-44.3000113.7I590 F595 I603 I616 H621 L622 L628 L645I590-F619 HydrophobicContact CD1-CE2 4.24Å; I590-F619 HydrophobicContact CD1-CZ 4.11Å; I590-F619 HydrophobicContact CG2-CZ 4.4Å; F595-F619 AromaticContact CD1-CD1 3.65Å; F595-F619 HydrophobicContact CD1-CD1 3.65Å; F595-F619 AromaticContact CD1-CE1 3.94Å; F595-F619 HydrophobicContact CD1-CE1 3.94Å; F595-F619 HydrophobicContact CD1-CG 4.43Å; F595-F619 AromaticContact CE1-CD1 3.39Å; F595-F619 HydrophobicContact CE1-CD1 3.39Å; F595-F619 AromaticContact CE1-CE1 3.41Å; F595-F619 HydrophobicContact CE1-CE1 3.41Å; F595-F619 VanDerWaalsContact CE1-CE1 3.41Å; F595-F619 AromaticContact CE1-CG 4Å; F595-F619 HydrophobicContact CE1-CG 4Å; F595-F619 AromaticContact CE1-CZ 4Å; F595-F619 HydrophobicContact CE1-CZ 4Å; F595-F619 HydrophobicContact CZ-CE1 4.47Å; I603-F619 HydrophobicContact CD1-CE1 3.83Å; I603-F619 HydrophobicContact CD1-CZ 4.42Å; I616-F619 VanDerWaalsContact CA-CD2 3.49Å; I616-F619 HydrophobicContact CB-CD2 3.86Å; I616-F619 HydrophobicContact CB-CE2 4.32Å; I616-F619 HydrophobicContact CD1-CE2 4.46Å; I616-F619 HydrophobicContact CG1-CD2 3.51Å; I616-F619 HydrophobicContact CG1-CE2 3.51Å; I616-F619 HydrophobicContact CG2-CD2 4.05Å; I616-F619 WeakPolarHBondContact O-CB 3.44Å; I616-F619 PolarHBondContact O-N 3.42Å; F619-H621 PolarHBondContact O-N 2.88Å; F619-L622 HydrophobicContact CD1-CD1 3.39Å; F619-L622 HydrophobicContact CD1-CG 4.01Å; F619-L622 HydrophobicContact CE1-CD1 3.72Å; F619-L622 WeakPolarHBondContact O-CA 3.48Å; F619-L622 WeakPolarHBondContact O-CB 3.28Å; F619-L622 PolarHBondContact O-N 2.96Å; F619-L628 HydrophobicContact CE2-CD1 4.5Å; F619-L628 HydrophobicContact CE2-CD2 4.38Å; F619-L628 HydrophobicContact CZ-CD1 4.43Å; F619-L645 HydrophobicContact CB-CD1 4.31Å; F619-L645 HydrophobicContact CB-CD2 3.46Å; F619-L645 VanDerWaalsContact CB-CD2 3.46Å; F619-L645 HydrophobicContact CB-CG 4.47Å; F619-L645 HydrophobicContact CD2-CD1 4.2Å; F619-L645 HydrophobicContact CG-CD2 4.5Å
620Q78Confident89.8Confident121 Ų12142.2 Ų42.257%0.56520%0.197SC*.G310 helixtrans-53.9-25.216769.2-178.14.700112.7I617 S618 L622I617-Q620 WeakPolarHBondContact O-CG 3.48Å; S618-Q620 PolarHBondContact O-N 3.36Å; Q620-L622 VanDerWaalsContact C-N 3.3Å
621H86.3Confident89.9Confident84 Ų8444.9 Ų44.939%0.38921%0.207SC..G310 helixtrans-79.3-10.6176.5-50.4110.8000113.7H598 S618 F619H598-H621 PolarHBondContact ND1-O 3.47Å; S618-H621 PolarHBondContact O-N 3.3Å; S618-H621 PolarHBondContact O-ND1 2.95Å; F619-H621 PolarHBondContact O-N 2.88Å
622L89.5Confident90.1Very high4 Ų444.2 Ų44.22%0.02120%0.202CC..  trans-10165.1177.9-57.2-166.6000110.8L597 L600 I603 F619 Q620 R624 L625L597-L622 VanDerWaalsContact O-CD2 3.25Å; L597-L622 WeakPolarHBondContact O-CD2 3.27Å; L600-L622 HydrophobicContact CB-CD1 4.46Å; L600-L622 HydrophobicContact CD1-CD1 4.21Å; I603-L622 HydrophobicContact CD1-CD1 3.61Å; F619-L622 HydrophobicContact CD1-CD1 3.39Å; F619-L622 HydrophobicContact CD1-CG 4.01Å; F619-L622 HydrophobicContact CE1-CD1 3.72Å; F619-L622 WeakPolarHBondContact O-CA 3.48Å; F619-L622 WeakPolarHBondContact O-CB 3.28Å; F619-L622 PolarHBondContact O-N 2.96Å; Q620-L622 VanDerWaalsContact C-N 3.3Å; L622-R624 PolarHBondContact O-N 3.18Å; L622-R624 VanDerWaalsContact O-N 3.08Å; L622-L625 HydrophobicContact CB-CB 4.2Å; L622-L625 WeakPolarHBondContact O-CB 3.34Å; L622-L625 PolarHBondContact O-N 3.38Å; L622-L625 VanDerWaalsContact O-N 3.11Å
623Y85.3Confident90.3Very high122 Ų12242.7 Ų42.748%0.47819%0.192SC..THydrogen-bonded Turntrans-65.3-14.2-173.757.4-90000114.4H598 N647H598-Y623 HydrophobicContact CB-CE1 3.85Å; Y623-N647 PolarHBondContact O-ND2 3.09Å
624R92.3Very high90.6Very high118 Ų11846 Ų4645%0.44521%0.208SC..THydrogen-bonded Turntrans-97.43.2176.8-64-172.2173.5172.5-3.3114.2N599 L600 Q601 L622 V626N599-R624 PolarHBondContact OD1-NH1 3.04Å; L600-R624 CarbonylContact O-C 3.58Å; Q601-R624 WeakPolarHBondContact CA-O 3.34Å; Q601-R624 HydrophobicContact CG-CB 4.44Å; L622-R624 PolarHBondContact O-N 3.18Å; L622-R624 VanDerWaalsContact O-N 3.08Å; R624-V626 WeakPolarHBondContact O-CG2 3.36Å; R624-V626 PolarHBondContact O-N 2.95Å
625L94.9Very high91.1Very high3 Ų342.9 Ų42.92%0.01619%0.193CC..  trans-67.2118.3-176.3-170.769.3000111.1L600 I603 L622 L628 L645 N647 L648L600-L625 WeakPolarHBondContact O-CA 3.33Å; L600-L625 PolarHBondContact O-N 3.44Å; I603-L625 HydrophobicContact CB-CD1 4.36Å; I603-L625 HydrophobicContact CD1-CD1 3.71Å; I603-L625 HydrophobicContact CD1-CD2 4.44Å; I603-L625 HydrophobicContact CG1-CD1 3.75Å; L622-L625 HydrophobicContact CB-CB 4.2Å; L622-L625 WeakPolarHBondContact O-CB 3.34Å; L622-L625 PolarHBondContact O-N 3.38Å; L622-L625 VanDerWaalsContact O-N 3.11Å; L625-L628 HydrophobicContact CD2-CB 4.49Å; L625-L645 HydrophobicContact CD2-CD1 4.4Å; L625-N647 CarbonylContact O-C 3.18Å; L625-L648 HydrophobicContact CD2-CD1 4.44Å; L625-L648 HydrophobicContact CG-CD1 4.27Å
626V96.6Very high91.6Very high42 Ų4244.1 Ų44.126%0.25521%0.207SC..  trans-109.5-33.1-179.3178.50000111.2Q601 R624 L648 E649 R650Q601-V626 PolarHBondContact O-N 3.23Å; R624-V626 WeakPolarHBondContact O-CG2 3.36Å; R624-V626 PolarHBondContact O-N 2.95Å; V626-L648 WeakPolarHBondContact O-CD1 3.47Å; V626-E649 HydrophobicContact CG1-CB 3.7Å; V626-E649 HydrophobicContact CG1-CG 3.77Å; V626-E649 PolarHBondContact O-N 2.95Å; V626-R650 PolarHBondContact O-N 3.45Å
627C97.8Very high92.2Very high2 Ų249.4 Ų49.41%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-130.7125.6-177-174.20000112.1Q601 E602 I603 R650Q601-C627 PolarHBondContact O-N 3.37Å; E602-C627 WeakPolarHBondContact CA-O 3.26Å; E602-C627 HydrophobicContact CB-CB 4.2Å; E602-C627 HydrophobicContact CG-CB 3.87Å; I603-C627 PolarHBondContact N-O 3.23Å; C627-R650 WeakPolarHBondContact CA-O 3.15Å; C627-R650 HydrophobicContact CB-CB 4.18Å
628L96.5Very high92.8Very high0 Ų046.1 Ų46.10%021%0.211CC..EExtended strand (participates in β ladder)trans-124.1116.9176.4-179.359.6000109.8I603 F619 L625 L630 I642 L645 L648 R650 L651 Y652I603-L628 HydrophobicContact CB-CD1 4.2Å; I603-L628 HydrophobicContact CG2-CD1 4.31Å; F619-L628 HydrophobicContact CE2-CD1 4.5Å; F619-L628 HydrophobicContact CE2-CD2 4.38Å; F619-L628 HydrophobicContact CZ-CD1 4.43Å; L625-L628 HydrophobicContact CD2-CB 4.49Å; L628-L630 HydrophobicContact CD1-CD1 4.19Å; L628-L630 HydrophobicContact CD1-CD2 4.15Å; L628-L630 HydrophobicContact CD1-CG 3.97Å; L628-L630 HydrophobicContact CD2-CD1 3.92Å; L628-L630 HydrophobicContact CD2-CG 4.49Å; L628-L630 HydrophobicContact CG-CD1 3.96Å; L628-L630 HydrophobicContact CG-CG 3.98Å; L628-I642 HydrophobicContact CD2-CD1 4.42Å; L628-L645 HydrophobicContact CD2-CD1 4.25Å; L628-L648 HydrophobicContact CB-CD1 3.79Å; L628-L648 HydrophobicContact CB-CD2 4.45Å; L628-R650 PolarHBondContact N-O 2.98Å; L628-L651 HydrophobicContact CB-CD1 4.12Å; L628-L651 HydrophobicContact CD2-CD1 4.09Å; L628-L651 HydrophobicContact CG-CD1 4.16Å; L628-L651 WeakPolarHBondContact O-CA 3.37Å; L628-Y652 PolarHBondContact O-N 3.4Å
629K97.9Very high93.1Very high32 Ų3244.8 Ų44.814%0.13920%0.202CC..EExtended strand (participates in β ladder)trans-114.8114.1179.3-65.3163.5177.1174.70110.1E602 I603 D604 L605 W631 Y652E602-K629 WeakPolarHBondContact OE1-CE 3.24Å; E602-K629 IonicContact OE1-NZ 3.62Å; E602-K629 PolarHBondContact OE1-NZ 3.06Å; I603-K629 PolarHBondContact O-N 3.43Å; D604-K629 HydrophobicContact CB-CB 4.1Å; D604-K629 HydrophobicContact CB-CD 3.99Å; L605-K629 PolarHBondContact N-O 3.19Å; K629-W631 HydrophobicContact CD-CZ2 4.26Å; K629-Y652 HydrophobicContact CB-CD2 4.43Å; K629-Y652 HydrophobicContact CD-CD2 4.48Å; K629-Y652 HydrophobicContact CG-CD2 3.45Å; K629-Y652 VanDerWaalsContact CG-CD2 3.45Å; K629-Y652 HydrophobicContact CG-CE2 3.99Å; K629-Y652 HydrophobicContact CG-CG 4.03Å
630L96.9Very high93.5Very high1 Ų149.1 Ų49.11%0.00522%0.224CC..  trans-129.122.3-177-64.3175000111.8L605 L610 I613 L628 N633 I635 Y652 L653 N656L605-L630 HydrophobicContact CB-CD2 3.99Å; L605-L630 HydrophobicContact CD1-CD2 3.93Å; L605-L630 HydrophobicContact CG-CD2 4.24Å; L610-L630 HydrophobicContact CD1-CD2 4.24Å; I613-L630 HydrophobicContact CD1-CD1 4.28Å; I613-L630 HydrophobicContact CG2-CD1 4.2Å; L628-L630 HydrophobicContact CD1-CD1 4.19Å; L628-L630 HydrophobicContact CD1-CD2 4.15Å; L628-L630 HydrophobicContact CD1-CG 3.97Å; L628-L630 HydrophobicContact CD2-CD1 3.92Å; L628-L630 HydrophobicContact CD2-CG 4.49Å; L628-L630 HydrophobicContact CG-CD1 3.96Å; L628-L630 HydrophobicContact CG-CG 3.98Å; L630-N633 PolarHBondContact O-ND2 3.29Å; L630-N633 VanDerWaalsContact O-ND2 3.12Å; L630-I635 HydrophobicContact CB-CD1 3.88Å; L630-I635 HydrophobicContact CD1-CD1 4.32Å; L630-Y652 CarbonylContact C-O 3.34Å; L630-Y652 PolarHBondContact N-O 2.9Å; L630-L653 HydrophobicContact CB-CD2 3.87Å; L630-L653 HydrophobicContact CD1-CD2 4.06Å; L630-N656 PolarHBondContact O-ND2 3.03Å
631W97.6Very high94.1Very high56 Ų5646 Ų4621%0.21221%0.21CC..  trans-68.6159.4-178.655.98.3000113.6D604 K606 D607 K629 N633 Y652 N654D604-W631 PolarHBondContact OD1-NE1 2.79Å; K606-W631 WeakPolarHBondContact CA-O 3.28Å; K606-W631 HydrophobicContact CB-CG 4.4Å; K606-W631 HydrophobicContact CD-CZ2 4.49Å; D607-W631 PolarHBondContact N-O 3.1Å; K629-W631 HydrophobicContact CD-CZ2 4.26Å; W631-N633 PolarHBondContact O-ND2 3.02Å; W631-Y652 AromaticContact CE3-CD1 3.56Å; W631-Y652 HydrophobicContact CE3-CD1 3.56Å; W631-Y652 HydrophobicContact CE3-CE1 4.34Å; W631-Y652 HydrophobicContact CE3-CG 4.01Å; W631-Y652 HydrophobicContact CH2-CD1 4.38Å; W631-Y652 HydrophobicContact CH2-CE1 4.47Å; W631-Y652 AromaticContact CZ3-CD1 3.43Å; W631-Y652 HydrophobicContact CZ3-CD1 3.43Å; W631-Y652 VanDerWaalsContact CZ3-CD1 3.43Å; W631-Y652 AromaticContact CZ3-CE1 3.74Å; W631-Y652 HydrophobicContact CZ3-CE1 3.74Å; W631-Y652 HydrophobicContact CZ3-CG 4.13Å; W631-N654 CarbonylContact C-O 3.23Å; W631-N654 WeakPolarHBondContact CA-O 2.96Å; W631-N654 WeakPolarHBondContact CB-O 3.36Å; W631-N654 WeakPolarHBondContact CB-OD1 3.43Å
632Y97.4Very high94.4Very high97 Ų9742.1 Ų42.138%0.3819%0.192SC..SBendtrans54.253.3-178.3-64.7-103.1000112.3D607 N654 R655D607-Y632 WeakPolarHBondContact CA-O 3.29Å; D607-Y632 PolarHBondContact N-O 3.42Å; Y632-N654 PolarHBondContact N-O 3.05Å; Y632-R655 WeakPolarHBondContact CA-O 3.37Å; Y632-R655 HydrophobicContact CD1-CB 4.34Å; Y632-R655 HydrophobicContact CE1-CG 4.5Å; Y632-R655 VanDerWaalsContact CE1-NH1 3.26Å; Y632-R655 HydrophobicContact CG-CB 4.32Å; Y632-R655 PolarHBondContact N-O 3.32Å; Y632-R655 PolarHBondContact OH-NE 2.94Å
633N97.5Very high94.4Very high12 Ų1242.3 Ų42.36%0.06420%0.195CC..SBendtrans-128.4-166.1176.1-83.6-79.2000109.2L605 N608 L610 L630 W631 I635 R655 N656L605-N633 PolarHBondContact O-ND2 3.4Å; N608-N633 WeakPolarHBondContact CA-OD1 3.41Å; N608-N633 VanDerWaalsContact CB-OD1 3.26Å; N608-N633 WeakPolarHBondContact CB-OD1 3.28Å; N608-N633 PolarHBondContact N-OD1 2.99Å; N608-N633 PolarHBondContact O-OD1 3.42Å; L610-N633 HydrophobicContact CB-CB 4.15Å; L610-N633 VanDerWaalsContact CB-OD1 3.29Å; L610-N633 WeakPolarHBondContact CB-OD1 3.36Å; L610-N633 VanDerWaalsContact CG-OD1 3.31Å; L610-N633 WeakPolarHBondContact CG-OD1 3.41Å; L610-N633 PolarHBondContact N-OD1 3.25Å; L630-N633 PolarHBondContact O-ND2 3.29Å; L630-N633 VanDerWaalsContact O-ND2 3.12Å; W631-N633 PolarHBondContact O-ND2 3.02Å; N633-I635 HydrophobicContact CB-CD1 4.19Å; N633-I635 HydrophobicContact CB-CG1 4.06Å; N633-R655 PolarHBondContact N-O 3.47Å; N633-N656 WeakPolarHBondContact CA-OD1 3.38Å; N633-N656 WeakPolarHBondContact CB-OD1 3.44Å; N633-N656 PolarHBondContact N-OD1 3.25Å; N633-N656 PolarHBondContact O-OD1 3.49Å
634Q96.9Very high94.6Very high73 Ų7339.8 Ų39.834%0.34119%0.192SC..  trans-117.529178.8-58.2-174.213.700112N609 L610 K611 A636 N656N609-Q634 PolarHBondContact OD1-NE2 3.36Å; N609-Q634 PolarHBondContact OD1-OE1 3Å; L610-Q634 CarbonylContact O-C 3.54Å; L610-Q634 VanDerWaalsContact O-CA 3.31Å; L610-Q634 WeakPolarHBondContact O-CA 3.15Å; L610-Q634 PolarHBondContact O-N 3.32Å; K611-Q634 HydrophobicContact CG-CB 4.12Å; Q634-A636 PolarHBondContact O-N 3.4Å; Q634-N656 PolarHBondContact N-OD1 3.28Å
635I96.9Very high94.5Very high0 Ų034.7 Ų34.70%017%0.174CC..  trans-65.8120.5-173.9-59.4167.6000109.3L610 K611 I613 L630 N633 Y637 L653 N656 K657 I658L610-I635 HydrophobicContact CB-CG1 4.4Å; L610-I635 PolarHBondContact O-N 3.49Å; L610-I635 VanDerWaalsContact O-N 3.16Å; K611-I635 WeakPolarHBondContact O-CA 3.32Å; I613-I635 HydrophobicContact CD1-CD1 4.4Å; I613-I635 HydrophobicContact CD1-CG2 3.95Å; I613-I635 HydrophobicContact CG1-CG2 4.24Å; I613-I635 HydrophobicContact CG2-CD1 3.63Å; I613-I635 HydrophobicContact CG2-CG1 3.97Å; I613-I635 HydrophobicContact CG2-CG2 4.46Å; L630-I635 HydrophobicContact CB-CD1 3.88Å; L630-I635 HydrophobicContact CD1-CD1 4.32Å; N633-I635 HydrophobicContact CB-CD1 4.19Å; N633-I635 HydrophobicContact CB-CG1 4.06Å; I635-Y637 VanDerWaalsContact CG2-O 3.3Å; I635-Y637 WeakPolarHBondContact CG2-O 3.39Å; I635-L653 HydrophobicContact CD1-CD2 4.28Å; I635-N656 HydrophobicContact CB-CB 4.2Å; I635-N656 VanDerWaalsContact CB-OD1 3.31Å; I635-N656 WeakPolarHBondContact CB-OD1 3.36Å; I635-N656 WeakPolarHBondContact CG1-OD1 3.38Å; I635-N656 PolarHBondContact N-OD1 3.17Å; I635-K657 CarbonylContact O-C 3.33Å; I635-K657 VanDerWaalsContact O-C 3.25Å; I635-K657 WeakPolarHBondContact O-CA 3.11Å; I635-K657 PolarHBondContact O-N 2.95Å; I635-I658 HydrophobicContact CG2-CG1 4.3Å; I635-I658 WeakPolarHBondContact O-CG1 3.27Å; I635-I658 PolarHBondContact O-N 3.43Å
636A94.3Very high94.3Very high48 Ų4838.1 Ų38.140%0.39720%0.195SC..  trans-87.5-30.7-176.900000113.7K611 Q634 I658K611-A636 PolarHBondContact O-N 3.39Å; Q634-A636 PolarHBondContact O-N 3.4Å; A636-I658 WeakPolarHBondContact O-CA 3.47Å
637Y94Very high94.1Very high111 Ų11139 Ų3944%0.43520%0.198SC..  trans-153160178.266-85.6000111.3E614 I635E614-Y637 WeakPolarHBondContact OE1-CE2 3.22Å; E614-Y637 PolarHBondContact OE1-OH 2.95Å; I635-Y637 VanDerWaalsContact CG2-O 3.3Å; I635-Y637 WeakPolarHBondContact CG2-O 3.39Å
638I94Very high94Very high8 Ų838.9 Ų38.94%0.04120%0.197CC..  trans-100.3125.2175.4-53166.6000107.8I642 L653 I658 P662 L665 L676I638-I642 HydrophobicContact CG2-CB 3.88Å; I638-I642 HydrophobicContact CG2-CG1 4.16Å; I638-I642 HydrophobicContact CG2-CG2 3.76Å; I638-L653 HydrophobicContact CD1-CD1 3.58Å; I638-L653 HydrophobicContact CG1-CD1 4.1Å; I638-I658 HydrophobicContact CD1-CD1 4.17Å; I638-I658 HydrophobicContact CD1-CG2 4.26Å; I638-I658 HydrophobicContact CG1-CD1 3.98Å; I638-I658 HydrophobicContact CG1-CG2 4.19Å; I638-P662 HydrophobicContact CB-CG 3.97Å; I638-P662 HydrophobicContact CG2-CG 3.96Å; I638-P662 WeakPolarHBondContact O-CG 3.24Å; I638-L665 HydrophobicContact CD1-CD1 4.04Å; I638-L676 HydrophobicContact CD1-CD2 4.45Å
639P92.5Very high94.1Very high5 Ų540.9 Ų40.93%0.03221%0.206CC..  trans-73.7151.4179.130.9-35.1000111I613 I616 Q641 I642I613-P639 HydrophobicContact CG1-CG 3.95Å; I616-P639 HydrophobicContact CB-CG 4.2Å; I616-P639 HydrophobicContact CD1-CG 4.11Å; P639-Q641 PolarHBondContact O-N 3.3Å; P639-Q641 VanDerWaalsContact O-N 3.07Å; P639-I642 WeakPolarHBondContact O-CG2 3.15Å; P639-I642 PolarHBondContact O-N 3.02Å; P639-I642 VanDerWaalsContact O-N 3.14Å
640I91.1Very high94.1Very high93 Ų9344.6 Ų44.648%0.47722%0.219SC..G310 helixtrans-60.3-23.2-176.462.2172.8000113I642 G643 P662 Q664I640-I642 PolarHBondContact O-N 3.48Å; I640-G643 PolarHBondContact O-N 3.27Å; I640-P662 HydrophobicContact CG2-CB 4.35Å; I640-Q664 HydrophobicContact CB-CB 4.45Å; I640-Q664 HydrophobicContact CB-CG 4Å; I640-Q664 WeakPolarHBondContact O-CB 3.39Å
641Q90.6Very high94.1Very high56 Ų5644.6 Ų44.626%0.26222%0.219SC..G310 helixtrans-71.2-8.7-178.9-63.286.1-8.100113.2I616 I617 P639 G643 T644I616-Q641 HydrophobicContact CG2-CB 4.33Å; I617-Q641 HydrophobicContact CG1-CB 4.2Å; I617-Q641 HydrophobicContact CG1-CG 3.77Å; P639-Q641 PolarHBondContact O-N 3.3Å; P639-Q641 VanDerWaalsContact O-N 3.07Å; Q641-G643 PolarHBondContact O-N 3.38Å; Q641-G643 VanDerWaalsContact O-N 3.14Å; Q641-T644 WeakPolarHBondContact O-CB 3.48Å; Q641-T644 WeakPolarHBondContact O-CG2 3.5Å; Q641-T644 PolarHBondContact O-N 3.11Å; Q641-T644 PolarHBondContact O-OG1 3.12Å
642I91.2Very high94.2Very high2 Ų243.4 Ų43.41%0.0122%0.215CC..G310 helixtrans-53.7-32.3169.6-166.872.4000111.7I616 L628 I638 P639 I640 T644 L645 P662 L665 C668I616-I642 HydrophobicContact CD1-CD1 3.9Å; L628-I642 HydrophobicContact CD2-CD1 4.42Å; I638-I642 HydrophobicContact CG2-CB 3.88Å; I638-I642 HydrophobicContact CG2-CG1 4.16Å; I638-I642 HydrophobicContact CG2-CG2 3.76Å; P639-I642 WeakPolarHBondContact O-CG2 3.15Å; P639-I642 PolarHBondContact O-N 3.02Å; P639-I642 VanDerWaalsContact O-N 3.14Å; I640-I642 PolarHBondContact O-N 3.48Å; I642-T644 PolarHBondContact O-N 3.3Å; I642-T644 VanDerWaalsContact O-N 3.12Å; I642-L645 HydrophobicContact CD1-CD1 3.84Å; I642-L645 WeakPolarHBondContact O-CB 3.47Å; I642-L645 PolarHBondContact O-N 2.67Å; I642-P662 HydrophobicContact CG2-CG 4.19Å; I642-L665 HydrophobicContact CG2-CB 4.02Å; I642-C668 PolarHBondContact O-SG 3.07Å
643G89.6Confident94.2Very high8 Ų838.9 Ų38.98%0.08220%0.198CC..G310 helixtrans-65.7-13.2178.600000114.7I640 Q641 L645 Q664I640-G643 PolarHBondContact O-N 3.27Å; Q641-G643 PolarHBondContact O-N 3.38Å; Q641-G643 VanDerWaalsContact O-N 3.14Å; G643-L645 PolarHBondContact O-N 2.74Å; G643-Q664 WeakPolarHBondContact CA-O 3.37Å
644T89.3Confident94.2Very high69 Ų6939 Ų3942%0.42320%0.198SC..G310 helixtrans-72.9-19.5173.166.60000112.2Q641 I642 T646Q641-T644 WeakPolarHBondContact O-CB 3.48Å; Q641-T644 WeakPolarHBondContact O-CG2 3.5Å; Q641-T644 PolarHBondContact O-N 3.11Å; Q641-T644 PolarHBondContact O-OG1 3.12Å; I642-T644 PolarHBondContact O-N 3.3Å; I642-T644 VanDerWaalsContact O-N 3.12Å; T644-T646 PolarHBondContact O-N 2.91Å
645L90.8Very high94.2Very high11 Ų1141 Ų416%0.05820%0.203CC..  trans-82.858.4-178.6-50.2-175.8000111.8I616 F619 L625 L628 I642 G643 N647 L648 C668I616-L645 HydrophobicContact CG2-CD1 4.49Å; F619-L645 HydrophobicContact CB-CD1 4.31Å; F619-L645 HydrophobicContact CB-CD2 3.46Å; F619-L645 VanDerWaalsContact CB-CD2 3.46Å; F619-L645 HydrophobicContact CB-CG 4.47Å; F619-L645 HydrophobicContact CD2-CD1 4.2Å; F619-L645 HydrophobicContact CG-CD2 4.5Å; L625-L645 HydrophobicContact CD2-CD1 4.4Å; L628-L645 HydrophobicContact CD2-CD1 4.25Å; I642-L645 HydrophobicContact CD1-CD1 3.84Å; I642-L645 WeakPolarHBondContact O-CB 3.47Å; I642-L645 PolarHBondContact O-N 2.67Å; G643-L645 PolarHBondContact O-N 2.74Å; L645-N647 PolarHBondContact O-N 2.97Å; L645-L648 HydrophobicContact CB-CB 4.32Å; L645-L648 VanDerWaalsContact O-CB 3.24Å; L645-L648 WeakPolarHBondContact O-CB 3.38Å; L645-L648 PolarHBondContact O-N 2.67Å; L645-L648 VanDerWaalsContact O-N 3.12Å; L645-C668 PolarHBondContact O-SG 2.9Å
646T90.6Very high94.3Very high75 Ų7541.5 Ų41.546%0.4621%0.205SC..THydrogen-bonded Turntrans-66.6-17.6-173.856.60000114.3T644T644-T646 PolarHBondContact O-N 2.91Å
647N93.6Very high94.4Very high59 Ų5944.7 Ų44.732%0.31621%0.21SC..THydrogen-bonded Turntrans-85.9-4.8176.1-75.2-31.9000114.6Y623 L625 L645 E649 K670Y623-N647 PolarHBondContact O-ND2 3.09Å; L625-N647 CarbonylContact O-C 3.18Å; L645-N647 PolarHBondContact O-N 2.97Å; N647-E649 PolarHBondContact O-N 3.13Å; N647-K670 PolarHBondContact OD1-NZ 2.8Å
648L95.4Very high94.5Very high0 Ų039.4 Ų39.40%019%0.189CC..  trans-68.2126.6-176.1-160.572000111.3L625 V626 L628 L645 L651 K670 L671L625-L648 HydrophobicContact CD2-CD1 4.44Å; L625-L648 HydrophobicContact CG-CD1 4.27Å; V626-L648 WeakPolarHBondContact O-CD1 3.47Å; L628-L648 HydrophobicContact CB-CD1 3.79Å; L628-L648 HydrophobicContact CB-CD2 4.45Å; L645-L648 HydrophobicContact CB-CB 4.32Å; L645-L648 VanDerWaalsContact O-CB 3.24Å; L645-L648 WeakPolarHBondContact O-CB 3.38Å; L645-L648 PolarHBondContact O-N 2.67Å; L645-L648 VanDerWaalsContact O-N 3.12Å; L648-L651 HydrophobicContact CD2-CB 3.89Å; L648-L651 HydrophobicContact CD2-CD1 4.15Å; L648-L651 HydrophobicContact CD2-CD2 4.25Å; L648-L651 HydrophobicContact CD2-CG 4.32Å; L648-K670 CarbonylContact O-C 3.54Å; L648-L671 HydrophobicContact CB-CD1 4.35Å; L648-L671 HydrophobicContact CD2-CD1 4.06Å; L648-L671 HydrophobicContact CG-CD1 4.06Å; L648-L671 WeakPolarHBondContact O-CA 3.49Å; L648-L671 PolarHBondContact O-N 2.84Å
649E97.5Very high94.6Very high43 Ų4344.7 Ų44.720%0.20121%0.214CC..  trans-104.7-27.7174.2-66.7-168.3-172.700112.6V626 N647 K670 R672 F673V626-E649 HydrophobicContact CG1-CB 3.7Å; V626-E649 HydrophobicContact CG1-CG 3.77Å; V626-E649 PolarHBondContact O-N 2.95Å; N647-E649 PolarHBondContact O-N 3.13Å; E649-K670 HydrophobicContact CG-CB 4.38Å; E649-R672 PolarHBondContact O-N 3.37Å; E649-R672 IonicContact OE1-CZ 3.82Å; E649-R672 IonicContact OE1-NH1 3.38Å; E649-R672 IonicContact OE1-NH2 3.69Å; E649-R672 IonicContact OE2-CZ 3.44Å; E649-R672 IonicContact OE2-NE 3.92Å; E649-R672 IonicContact OE2-NH1 3.78Å; E649-R672 PolarHBondContact OE2-NH1 3.42Å; E649-F673 PolarHBondContact O-N 3.22Å
650R98.3Very high94.6Very high109 Ų10952 Ų5241%0.41125%0.245SC..EExtended strand (participates in β ladder)trans-134.3125.4-177.1-53.3-174.6-176.1115.51.4111.7V626 C627 L628 Y652 F673V626-R650 PolarHBondContact O-N 3.45Å; C627-R650 WeakPolarHBondContact CA-O 3.15Å; C627-R650 HydrophobicContact CB-CB 4.18Å; L628-R650 PolarHBondContact N-O 2.98Å; R650-Y652 HydrophobicContact CB-CE2 3.94Å; R650-F673 WeakPolarHBondContact CA-O 3.34Å; R650-F673 HydrophobicContact CB-CB 4.16Å; R650-F673 HydrophobicContact CG-CB 3.95Å
651L97.8Very high94.8Very high1 Ų148.4 Ų48.41%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-130.2122.6177.7-179.157.4000110.7L628 L648 L653 L665 L671 F673 L674 D675L628-L651 HydrophobicContact CB-CD1 4.12Å; L628-L651 HydrophobicContact CD2-CD1 4.09Å; L628-L651 HydrophobicContact CG-CD1 4.16Å; L628-L651 WeakPolarHBondContact O-CA 3.37Å; L648-L651 HydrophobicContact CD2-CB 3.89Å; L648-L651 HydrophobicContact CD2-CD1 4.15Å; L648-L651 HydrophobicContact CD2-CD2 4.25Å; L648-L651 HydrophobicContact CD2-CG 4.32Å; L651-L653 HydrophobicContact CD1-CD1 4.07Å; L651-L653 HydrophobicContact CD1-CG 4Å; L651-L653 HydrophobicContact CD2-CD1 3.84Å; L651-L653 HydrophobicContact CG-CD1 3.9Å; L651-L653 HydrophobicContact CG-CG 4.12Å; L651-L665 HydrophobicContact CD2-CD1 3.84Å; L651-L665 HydrophobicContact CD2-CG 4.5Å; L651-L671 HydrophobicContact CB-CD1 3.91Å; L651-F673 PolarHBondContact N-O 2.87Å; L651-L674 HydrophobicContact CB-CD1 4.08Å; L651-L674 HydrophobicContact CD2-CD1 3.99Å; L651-L674 HydrophobicContact CG-CD1 4.11Å; L651-L674 WeakPolarHBondContact O-CA 3.4Å; L651-D675 PolarHBondContact O-N 2.93Å
652Y98.1Very high94.9Very high32 Ų3246.7 Ų46.713%0.12522%0.22CC..EExtended strand (participates in β ladder)trans-117.7117.4177.2-58.7-105.6000109.9L628 K629 L630 W631 R650 F673 D675L628-Y652 PolarHBondContact O-N 3.4Å; K629-Y652 HydrophobicContact CB-CD2 4.43Å; K629-Y652 HydrophobicContact CD-CD2 4.48Å; K629-Y652 HydrophobicContact CG-CD2 3.45Å; K629-Y652 VanDerWaalsContact CG-CD2 3.45Å; K629-Y652 HydrophobicContact CG-CE2 3.99Å; K629-Y652 HydrophobicContact CG-CG 4.03Å; L630-Y652 CarbonylContact C-O 3.34Å; L630-Y652 PolarHBondContact N-O 2.9Å; W631-Y652 AromaticContact CE3-CD1 3.56Å; W631-Y652 HydrophobicContact CE3-CD1 3.56Å; W631-Y652 HydrophobicContact CE3-CE1 4.34Å; W631-Y652 HydrophobicContact CE3-CG 4.01Å; W631-Y652 HydrophobicContact CH2-CD1 4.38Å; W631-Y652 HydrophobicContact CH2-CE1 4.47Å; W631-Y652 AromaticContact CZ3-CD1 3.43Å; W631-Y652 HydrophobicContact CZ3-CD1 3.43Å; W631-Y652 VanDerWaalsContact CZ3-CD1 3.43Å; W631-Y652 AromaticContact CZ3-CE1 3.74Å; W631-Y652 HydrophobicContact CZ3-CE1 3.74Å; W631-Y652 HydrophobicContact CZ3-CG 4.13Å; R650-Y652 HydrophobicContact CB-CE2 3.94Å; Y652-F673 HydrophobicContact CD1-CD1 4.25Å; Y652-F673 AromaticContact CD1-CE1 3.6Å; Y652-F673 HydrophobicContact CD1-CE1 3.6Å; Y652-F673 HydrophobicContact CD1-CZ 4.39Å; Y652-F673 AromaticContact CE1-CD1 3.7Å; Y652-F673 HydrophobicContact CE1-CD1 3.7Å; Y652-F673 AromaticContact CE1-CE1 3.01Å; Y652-F673 HydrophobicContact CE1-CE1 3.01Å; Y652-F673 AromaticContact CE1-CZ 3.51Å; Y652-F673 HydrophobicContact CE1-CZ 3.51Å; Y652-F673 HydrophobicContact CE2-CD1 4.01Å; Y652-F673 HydrophobicContact CE2-CE1 4.18Å; Y652-F673 HydrophobicContact CG-CE1 4.38Å; Y652-F673 AromaticContact CZ-CD1 3.54Å; Y652-F673 AromaticContact CZ-CE1 3.34Å; Y652-F673 AromaticContact CZ-CZ 3.87Å; Y652-D675 HydrophobicContact CD1-CB 4.19Å
653L97.5Very high95.1Very high2 Ų248.3 Ų48.31%0.0123%0.232CC..  trans-131.217.7-178.4-75.1168.6000111.4L630 I635 I638 L651 N656 I658 D675 L676 N679L630-L653 HydrophobicContact CB-CD2 3.87Å; L630-L653 HydrophobicContact CD1-CD2 4.06Å; I635-L653 HydrophobicContact CD1-CD2 4.28Å; I638-L653 HydrophobicContact CD1-CD1 3.58Å; I638-L653 HydrophobicContact CG1-CD1 4.1Å; L651-L653 HydrophobicContact CD1-CD1 4.07Å; L651-L653 HydrophobicContact CD1-CG 4Å; L651-L653 HydrophobicContact CD2-CD1 3.84Å; L651-L653 HydrophobicContact CG-CD1 3.9Å; L651-L653 HydrophobicContact CG-CG 4.12Å; L653-N656 PolarHBondContact O-ND2 3.28Å; L653-I658 HydrophobicContact CB-CD1 3.96Å; L653-I658 HydrophobicContact CD1-CD1 4.3Å; L653-I658 HydrophobicContact CD2-CD1 4.21Å; L653-I658 HydrophobicContact CG-CD1 4.4Å; L653-D675 CarbonylContact C-O 3.45Å; L653-D675 WeakPolarHBondContact CA-O 3.43Å; L653-D675 PolarHBondContact N-O 3.35Å; L653-L676 HydrophobicContact CB-CD2 3.82Å; L653-L676 HydrophobicContact CD1-CD2 3.88Å; L653-N679 PolarHBondContact O-ND2 3.35Å
654N97.4Very high95.3Very high14 Ų1450.3 Ų50.38%0.07524%0.239CC..  trans-68.9151.4-178.258-64000113.2W631 Y632 D675 S677W631-N654 CarbonylContact C-O 3.23Å; W631-N654 WeakPolarHBondContact CA-O 2.96Å; W631-N654 WeakPolarHBondContact CB-O 3.36Å; W631-N654 WeakPolarHBondContact CB-OD1 3.43Å; Y632-N654 PolarHBondContact N-O 3.05Å; N654-D675 PolarHBondContact N-O 3.46Å; N654-D675 PolarHBondContact OD1-OD2 2.64Å; N654-S677 CarbonylContact C-O 3.58Å; N654-S677 WeakPolarHBondContact CA-O 3.37Å; N654-S677 VanDerWaalsContact CB-O 3.26Å; N654-S677 WeakPolarHBondContact CB-O 3.38Å
655R97.7Very high95.6Very high116 Ų11647 Ų4744%0.43822%0.219SC..SBendtrans53.857.9-175.2-67.9-178.9178.9-154.56.6111.7Y632 N633 S677 H678Y632-R655 WeakPolarHBondContact CA-O 3.37Å; Y632-R655 HydrophobicContact CD1-CB 4.34Å; Y632-R655 HydrophobicContact CE1-CG 4.5Å; Y632-R655 VanDerWaalsContact CE1-NH1 3.26Å; Y632-R655 HydrophobicContact CG-CB 4.32Å; Y632-R655 PolarHBondContact N-O 3.32Å; Y632-R655 PolarHBondContact OH-NE 2.94Å; N633-R655 PolarHBondContact N-O 3.47Å; R655-S677 PolarHBondContact N-O 3.18Å; R655-H678 VanDerWaalsContact CA-O 3.22Å; R655-H678 WeakPolarHBondContact CA-O 3.38Å; R655-H678 HydrophobicContact CB-CB 4.26Å; R655-H678 HydrophobicContact CG-CB 3.47Å; R655-H678 VanDerWaalsContact CG-CB 3.47Å; R655-H678 PolarHBondContact N-O 2.86Å
656N98.1Very high95.8Very high10 Ų1046.6 Ų46.65%0.05322%0.217CC..SBendtrans-123-164.9169.6-83.5-71.6000109L630 N633 Q634 I635 L653 I658 H678 N679L630-N656 PolarHBondContact O-ND2 3.03Å; N633-N656 WeakPolarHBondContact CA-OD1 3.38Å; N633-N656 WeakPolarHBondContact CB-OD1 3.44Å; N633-N656 PolarHBondContact N-OD1 3.25Å; N633-N656 PolarHBondContact O-OD1 3.49Å; Q634-N656 PolarHBondContact N-OD1 3.28Å; I635-N656 HydrophobicContact CB-CB 4.2Å; I635-N656 VanDerWaalsContact CB-OD1 3.31Å; I635-N656 WeakPolarHBondContact CB-OD1 3.36Å; I635-N656 WeakPolarHBondContact CG1-OD1 3.38Å; I635-N656 PolarHBondContact N-OD1 3.17Å; L653-N656 PolarHBondContact O-ND2 3.28Å; N656-I658 HydrophobicContact CB-CD1 4.06Å; N656-I658 HydrophobicContact CB-CG1 3.99Å; N656-H678 PolarHBondContact N-O 3.28Å; N656-N679 WeakPolarHBondContact CA-OD1 3.5Å; N656-N679 WeakPolarHBondContact CB-OD1 2.92Å; N656-N679 PolarHBondContact N-OD1 2.91Å; N656-N679 PolarHBondContact O-OD1 3.43Å
657K97Very high96Very high114 Ų11448 Ų4850%0.49622%0.216SC..  trans-11931.9179.4-62.4-178.4179.8176.40111.4I635 E659 N679I635-K657 CarbonylContact O-C 3.33Å; I635-K657 VanDerWaalsContact O-C 3.25Å; I635-K657 WeakPolarHBondContact O-CA 3.11Å; I635-K657 PolarHBondContact O-N 2.95Å; K657-E659 PolarHBondContact O-N 3.31Å; K657-N679 PolarHBondContact N-OD1 3.31Å
658I97.2Very high96Very high0 Ų045.2 Ų45.20%020%0.202CC..  trans-73.6126.7-172.3-57166.2000109.9I635 A636 I638 L653 N656 K660 N679 N680 L681I635-I658 HydrophobicContact CG2-CG1 4.3Å; I635-I658 WeakPolarHBondContact O-CG1 3.27Å; I635-I658 PolarHBondContact O-N 3.43Å; A636-I658 WeakPolarHBondContact O-CA 3.47Å; I638-I658 HydrophobicContact CD1-CD1 4.17Å; I638-I658 HydrophobicContact CD1-CG2 4.26Å; I638-I658 HydrophobicContact CG1-CD1 3.98Å; I638-I658 HydrophobicContact CG1-CG2 4.19Å; L653-I658 HydrophobicContact CB-CD1 3.96Å; L653-I658 HydrophobicContact CD1-CD1 4.3Å; L653-I658 HydrophobicContact CD2-CD1 4.21Å; L653-I658 HydrophobicContact CG-CD1 4.4Å; N656-I658 HydrophobicContact CB-CD1 4.06Å; N656-I658 HydrophobicContact CB-CG1 3.99Å; I658-K660 WeakPolarHBondContact CG2-O 3.28Å; I658-N679 HydrophobicContact CB-CB 4.29Å; I658-N679 WeakPolarHBondContact CB-OD1 3.48Å; I658-N679 WeakPolarHBondContact CG1-OD1 3.28Å; I658-N679 PolarHBondContact N-OD1 3.01Å; I658-N680 CarbonylContact O-C 3.58Å; I658-N680 WeakPolarHBondContact O-CA 3.23Å; I658-N680 PolarHBondContact O-N 3.46Å; I658-L681 HydrophobicContact CG2-CD2 3.96Å; I658-L681 PolarHBondContact O-N 2.96Å
659E94.9Very high96Very high119 Ų11952.8 Ų52.856%0.55623%0.231SC*.  trans-98.1-31.7179.5-64.9-177.1-179.100113.5K657 N680K657-E659 PolarHBondContact O-N 3.31Å; E659-N680 HydrophobicContact CG-CB 4.12Å
660K92.9Very high95.9Very high159 Ų15955.4 Ų55.469%0.69124%0.241SC*.  trans-141.2147.7-176.8-63.6-177.5-178.1177.60111.4I658I658-K660 WeakPolarHBondContact CG2-O 3.28Å
661I94.3Very high95.9Very high17 Ų1750.2 Ų50.29%0.08722%0.222CC..  trans-102.2126.4173.9-53.9164000108.4L665 F666 L676 L681I661-L665 HydrophobicContact CG2-CB 4.06Å; I661-L665 HydrophobicContact CG2-CD1 4Å; I661-L665 HydrophobicContact CG2-CD2 4.46Å; I661-L665 HydrophobicContact CG2-CG 4.41Å; I661-F666 HydrophobicContact CG2-CE2 4.1Å; I661-F666 HydrophobicContact CG2-CZ 3.87Å; I661-L676 HydrophobicContact CD1-CD1 3.48Å; I661-L676 VanDerWaalsContact CD1-CD1 3.48Å; I661-L676 HydrophobicContact CG1-CD1 4.16Å; I661-L681 HydrophobicContact CD1-CD1 3.98Å; I661-L681 HydrophobicContact CD1-CD2 4.36Å; I661-L681 HydrophobicContact CG1-CD1 4.22Å; I661-L681 HydrophobicContact CG1-CD2 3.82Å
662P94.4Very high95.9Very high20 Ų2055.4 Ų55.413%0.1324%0.241CC..  trans-70.9144.8174.730.6-36.1000111.2I638 I640 I642 Q664 L665I638-P662 HydrophobicContact CB-CG 3.97Å; I638-P662 HydrophobicContact CG2-CG 3.96Å; I638-P662 WeakPolarHBondContact O-CG 3.24Å; I640-P662 HydrophobicContact CG2-CB 4.35Å; I642-P662 HydrophobicContact CG2-CG 4.19Å; P662-Q664 PolarHBondContact O-N 3.03Å; P662-Q664 VanDerWaalsContact O-N 3.13Å; P662-L665 WeakPolarHBondContact O-CB 3.48Å; P662-L665 PolarHBondContact O-N 2.92Å; P662-L665 VanDerWaalsContact O-N 3.11Å
663S93.7Very high95.9Very high36 Ų3655.8 Ų55.825%0.25224%0.243SC..G310 helixtrans-58.5-26.7176.554.50000112.9L665 F666 D687S663-L665 PolarHBondContact O-N 3.37Å; S663-F666 WeakPolarHBondContact O-CD2 3.36Å; S663-F666 PolarHBondContact O-N 2.97Å; S663-D687 VanDerWaalsContact CB-OD2 3.29Å; S663-D687 WeakPolarHBondContact CB-OD2 3.42Å
664Q94.8Very high95.9Very high50 Ų5055.7 Ų55.723%0.23424%0.243CC..G310 helixtrans-65.5-22.4179-64.581.7-0.500113.4I640 G643 P662 F666 F667I640-Q664 HydrophobicContact CB-CB 4.45Å; I640-Q664 HydrophobicContact CB-CG 4Å; I640-Q664 WeakPolarHBondContact O-CB 3.39Å; G643-Q664 WeakPolarHBondContact CA-O 3.37Å; P662-Q664 PolarHBondContact O-N 3.03Å; P662-Q664 VanDerWaalsContact O-N 3.13Å; Q664-F666 PolarHBondContact O-N 3.31Å; Q664-F667 HydrophobicContact CB-CD2 4.11Å; Q664-F667 HydrophobicContact CB-CE2 4.14Å; Q664-F667 HydrophobicContact CG-CD2 4.3Å; Q664-F667 HydrophobicContact CG-CE2 3.84Å; Q664-F667 HydrophobicContact CG-CZ 4.5Å; Q664-F667 VanDerWaalsContact O-CB 3.31Å; Q664-F667 WeakPolarHBondContact O-CB 3.45Å; Q664-F667 WeakPolarHBondContact O-CG 3.48Å; Q664-F667 PolarHBondContact O-N 3.49Å
665L94.9Very high96Very high1 Ų155.8 Ų55.81%0.00524%0.243CC..G310 helixtrans-58.1-32.7174.5-176.4145.6000111.8I638 I642 L651 I661 P662 S663 F667 C668 L674I638-L665 HydrophobicContact CD1-CD1 4.04Å; I642-L665 HydrophobicContact CG2-CB 4.02Å; L651-L665 HydrophobicContact CD2-CD1 3.84Å; L651-L665 HydrophobicContact CD2-CG 4.5Å; I661-L665 HydrophobicContact CG2-CB 4.06Å; I661-L665 HydrophobicContact CG2-CD1 4Å; I661-L665 HydrophobicContact CG2-CD2 4.46Å; I661-L665 HydrophobicContact CG2-CG 4.41Å; P662-L665 WeakPolarHBondContact O-CB 3.48Å; P662-L665 PolarHBondContact O-N 2.92Å; P662-L665 VanDerWaalsContact O-N 3.11Å; S663-L665 PolarHBondContact O-N 3.37Å; L665-F667 PolarHBondContact O-N 3.44Å; L665-C668 WeakPolarHBondContact O-CB 3.48Å; L665-C668 PolarHBondContact O-N 3.29Å; L665-C668 VanDerWaalsContact O-N 3.17Å; L665-L674 HydrophobicContact CD2-CD2 4.09Å
666F95Very high96Very high2 Ų250.2 Ų50.21%0.00922%0.223CC..G310 helixtrans-77-2.8-178.3-49.9-71.4000113.3I661 S663 Q664 H685 D687 I688 F690 L691I661-F666 HydrophobicContact CG2-CE2 4.1Å; I661-F666 HydrophobicContact CG2-CZ 3.87Å; S663-F666 WeakPolarHBondContact O-CD2 3.36Å; S663-F666 PolarHBondContact O-N 2.97Å; Q664-F666 PolarHBondContact O-N 3.31Å; F666-H685 HydrophobicContact CE2-CB 3.47Å; F666-H685 VanDerWaalsContact CE2-CB 3.47Å; F666-H685 AromaticContact CE2-CG 3.85Å; F666-H685 AromaticContact CE2-ND1 3.93Å; F666-H685 HydrophobicContact CZ-CB 3.73Å; F666-D687 HydrophobicContact CB-CB 3.79Å; F666-D687 VanDerWaalsContact CB-O 3.32Å; F666-D687 WeakPolarHBondContact CB-O 3.34Å; F666-D687 HydrophobicContact CD2-CB 3.34Å; F666-D687 HydrophobicContact CE2-CB 4.1Å; F666-D687 VanDerWaalsContact CG-C 3.49Å; F666-D687 HydrophobicContact CG-CB 3.62Å; F666-D687 WeakPolarHBondContact CG-O 3.19Å; F666-I688 VanDerWaalsContact CD1-CA 3.45Å; F666-I688 HydrophobicContact CD1-CB 4.28Å; F666-I688 HydrophobicContact CD1-CD1 4.19Å; F666-I688 HydrophobicContact CE1-CB 3.82Å; F666-I688 HydrophobicContact CE1-CD1 3.67Å; F666-I688 HydrophobicContact CE1-CG1 4.35Å; F666-F690 HydrophobicContact CB-CD2 4.36Å; F666-L691 HydrophobicContact CD1-CD1 3.96Å; F666-L691 HydrophobicContact CD1-CG 4.06Å; F666-L691 HydrophobicContact CE1-CD1 4.49Å
667F94.5Very high96Very high103 Ų10350.2 Ų50.245%0.45222%0.223SC..G310 helixtrans-73.2-17.3167.6-59.6-16.4000112.5Q664 L665 R669Q664-F667 HydrophobicContact CB-CD2 4.11Å; Q664-F667 HydrophobicContact CB-CE2 4.14Å; Q664-F667 HydrophobicContact CG-CD2 4.3Å; Q664-F667 HydrophobicContact CG-CE2 3.84Å; Q664-F667 HydrophobicContact CG-CZ 4.5Å; Q664-F667 VanDerWaalsContact O-CB 3.31Å; Q664-F667 WeakPolarHBondContact O-CB 3.45Å; Q664-F667 WeakPolarHBondContact O-CG 3.48Å; Q664-F667 PolarHBondContact O-N 3.49Å; L665-F667 PolarHBondContact O-N 3.44Å; F667-R669 PolarHBondContact O-N 3.47Å
668C94.6Very high96Very high2 Ų248.7 Ų48.71%0.01422%0.218CC..  trans-73.862.2172.7-600000111.9I642 L645 L665 K670 L671 L691I642-C668 PolarHBondContact O-SG 3.07Å; L645-C668 PolarHBondContact O-SG 2.9Å; L665-C668 WeakPolarHBondContact O-CB 3.48Å; L665-C668 PolarHBondContact O-N 3.29Å; L665-C668 VanDerWaalsContact O-N 3.17Å; C668-K670 PolarHBondContact O-N 3.28Å; C668-L671 VanDerWaalsContact O-CB 3.22Å; C668-L671 WeakPolarHBondContact O-CB 3.34Å; C668-L671 PolarHBondContact O-N 3.35Å; C668-L691 WeakPolarHBondContact O-CD2 3.31Å
669R94.6Very high96Very high159 Ų15948.9 Ų48.960%0.622%0.219SC*.THydrogen-bonded Turntrans-63.9-12.2-171.9-62.6-176.8-178.3-175-0.1115.6F667 L671 N693F667-R669 PolarHBondContact O-N 3.47Å; R669-L671 VanDerWaalsContact C-N 3.31Å; R669-N693 PolarHBondContact O-ND2 2.94Å; R669-N693 VanDerWaalsContact O-ND2 3.1Å
670K96.5Very high96.1Very high97 Ų9745.9 Ų45.942%0.42221%0.206SC..THydrogen-bonded Turntrans-84-5.8173.6-66.8-172.1-173.7171.50113.2N647 L648 E649 C668 R672N647-K670 PolarHBondContact OD1-NZ 2.8Å; L648-K670 CarbonylContact O-C 3.54Å; E649-K670 HydrophobicContact CG-CB 4.38Å; C668-K670 PolarHBondContact O-N 3.28Å; K670-R672 PolarHBondContact O-N 3.16Å
671L97.5Very high96.3Very high0 Ų038.3 Ų38.30%017%0.174CC..  trans-60.4126-178.2-151.978.4000111.1L648 L651 C668 R669 L674 L691 N693 L694L648-L671 HydrophobicContact CB-CD1 4.35Å; L648-L671 HydrophobicContact CD2-CD1 4.06Å; L648-L671 HydrophobicContact CG-CD1 4.06Å; L648-L671 WeakPolarHBondContact O-CA 3.49Å; L648-L671 PolarHBondContact O-N 2.84Å; L651-L671 HydrophobicContact CB-CD1 3.91Å; C668-L671 VanDerWaalsContact O-CB 3.22Å; C668-L671 WeakPolarHBondContact O-CB 3.34Å; C668-L671 PolarHBondContact O-N 3.35Å; R669-L671 VanDerWaalsContact C-N 3.31Å; L671-L674 HydrophobicContact CD2-CB 3.72Å; L671-L674 HydrophobicContact CD2-CD1 4.08Å; L671-L674 HydrophobicContact CD2-CD2 4.02Å; L671-L674 HydrophobicContact CD2-CG 4.15Å; L671-L691 HydrophobicContact CB-CD1 4.43Å; L671-L691 HydrophobicContact CB-CD2 4.31Å; L671-L691 HydrophobicContact CD2-CD1 3.94Å; L671-N693 CarbonylContact O-C 3.36Å; L671-L694 HydrophobicContact CD2-CD1 4.49Å; L671-L694 PolarHBondContact O-N 2.84Å
672R97.9Very high96.4Very high111 Ų11141 Ų4142%0.41919%0.191SC..  trans-112.6-28.7177.2-63.9175.3-178.7166.1-6.3111.5E649 K670 N693 Q695 Y696E649-R672 PolarHBondContact O-N 3.37Å; E649-R672 IonicContact OE1-CZ 3.82Å; E649-R672 IonicContact OE1-NH1 3.38Å; E649-R672 IonicContact OE1-NH2 3.69Å; E649-R672 IonicContact OE2-CZ 3.44Å; E649-R672 IonicContact OE2-NE 3.92Å; E649-R672 IonicContact OE2-NH1 3.78Å; E649-R672 PolarHBondContact OE2-NH1 3.42Å; K670-R672 PolarHBondContact O-N 3.16Å; R672-N693 HydrophobicContact CG-CB 4.48Å; R672-Q695 PolarHBondContact O-N 3.48Å; R672-Y696 PolarHBondContact O-N 3.41Å
673F98.4Very high96.4Very high39 Ų3943.3 Ų43.317%0.17121%0.208CC..EExtended strand (participates in β ladder)trans-129.7121.6-177.4-166.9-73.4000110.1E649 R650 L651 Y652 D675 Y696E649-F673 PolarHBondContact O-N 3.22Å; R650-F673 WeakPolarHBondContact CA-O 3.34Å; R650-F673 HydrophobicContact CB-CB 4.16Å; R650-F673 HydrophobicContact CG-CB 3.95Å; L651-F673 PolarHBondContact N-O 2.87Å; Y652-F673 HydrophobicContact CD1-CD1 4.25Å; Y652-F673 AromaticContact CD1-CE1 3.6Å; Y652-F673 HydrophobicContact CD1-CE1 3.6Å; Y652-F673 HydrophobicContact CD1-CZ 4.39Å; Y652-F673 AromaticContact CE1-CD1 3.7Å; Y652-F673 HydrophobicContact CE1-CD1 3.7Å; Y652-F673 AromaticContact CE1-CE1 3.01Å; Y652-F673 HydrophobicContact CE1-CE1 3.01Å; Y652-F673 AromaticContact CE1-CZ 3.51Å; Y652-F673 HydrophobicContact CE1-CZ 3.51Å; Y652-F673 HydrophobicContact CE2-CD1 4.01Å; Y652-F673 HydrophobicContact CE2-CE1 4.18Å; Y652-F673 HydrophobicContact CG-CE1 4.38Å; Y652-F673 AromaticContact CZ-CD1 3.54Å; Y652-F673 AromaticContact CZ-CE1 3.34Å; Y652-F673 AromaticContact CZ-CZ 3.87Å; F673-D675 HydrophobicContact CE1-CB 3.87Å; F673-Y696 AromaticContact CD1-CD1 3.91Å; F673-Y696 HydrophobicContact CD1-CD1 3.91Å; F673-Y696 HydrophobicContact CD1-CE1 4.42Å; F673-Y696 VanDerWaalsContact CD2-CB 3.4Å; F673-Y696 AromaticContact CD2-CD1 3.61Å; F673-Y696 HydrophobicContact CD2-CD1 3.61Å; F673-Y696 HydrophobicContact CD2-CD2 4.24Å; F673-Y696 HydrophobicContact CD2-CE1 4.43Å; F673-Y696 AromaticContact CD2-CG 3.49Å; F673-Y696 HydrophobicContact CD2-CG 3.49Å; F673-Y696 VanDerWaalsContact CD2-CG 3.49Å; F673-Y696 AromaticContact CE1-CD1 3.53Å; F673-Y696 HydrophobicContact CE1-CD1 3.53Å; F673-Y696 AromaticContact CE1-CE1 3.62Å; F673-Y696 HydrophobicContact CE1-CE1 3.62Å; F673-Y696 HydrophobicContact CE1-CG 4.37Å; F673-Y696 AromaticContact CE2-CD1 3.24Å; F673-Y696 HydrophobicContact CE2-CD1 3.24Å; F673-Y696 AromaticContact CE2-CD2 3.62Å; F673-Y696 HydrophobicContact CE2-CD2 3.62Å; F673-Y696 AromaticContact CE2-CE1 3.66Å; F673-Y696 HydrophobicContact CE2-CE1 3.66Å; F673-Y696 HydrophobicContact CE2-CE2 4.01Å; F673-Y696 AromaticContact CE2-CG 3.22Å; F673-Y696 HydrophobicContact CE2-CG 3.22Å; F673-Y696 AromaticContact CG-CD1 3.92Å; F673-Y696 HydrophobicContact CG-CD1 3.92Å; F673-Y696 HydrophobicContact CG-CG 4.2Å; F673-Y696 AromaticContact CZ-CD1 3.2Å; F673-Y696 HydrophobicContact CZ-CD1 3.2Å; F673-Y696 HydrophobicContact CZ-CD2 4.16Å; F673-Y696 AromaticContact CZ-CE1 3.18Å; F673-Y696 HydrophobicContact CZ-CE1 3.18Å; F673-Y696 HydrophobicContact CZ-CE2 4.15Å; F673-Y696 AromaticContact CZ-CG 3.72Å; F673-Y696 HydrophobicContact CZ-CG 3.72Å; F673-Y696 AromaticContact CZ-CZ 3.69Å
674L98.3Very high96.4Very high1 Ų142 Ų421%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-133.9118176.1-18056.3000110.3L651 L665 L671 L676 L691 L694 Y696 F697 A698L651-L674 HydrophobicContact CB-CD1 4.08Å; L651-L674 HydrophobicContact CD2-CD1 3.99Å; L651-L674 HydrophobicContact CG-CD1 4.11Å; L651-L674 WeakPolarHBondContact O-CA 3.4Å; L665-L674 HydrophobicContact CD2-CD2 4.09Å; L671-L674 HydrophobicContact CD2-CB 3.72Å; L671-L674 HydrophobicContact CD2-CD1 4.08Å; L671-L674 HydrophobicContact CD2-CD2 4.02Å; L671-L674 HydrophobicContact CD2-CG 4.15Å; L674-L676 HydrophobicContact CD1-CD1 4.17Å; L674-L676 HydrophobicContact CD1-CD2 4.43Å; L674-L676 HydrophobicContact CD1-CG 3.97Å; L674-L676 HydrophobicContact CD2-CD1 4.05Å; L674-L676 HydrophobicContact CG-CD1 4.08Å; L674-L676 HydrophobicContact CG-CG 4.17Å; L674-L691 HydrophobicContact CD2-CD1 4.46Å; L674-L694 HydrophobicContact CB-CD1 3.97Å; L674-Y696 PolarHBondContact N-O 3.49Å; L674-F697 HydrophobicContact CB-CD2 4Å; L674-F697 HydrophobicContact CD2-CD2 3.92Å; L674-F697 HydrophobicContact CD2-CE2 3.67Å; L674-F697 HydrophobicContact CG-CD2 3.97Å; L674-F697 HydrophobicContact CG-CE2 4Å; L674-F697 WeakPolarHBondContact O-CA 3.2Å; L674-A698 PolarHBondContact O-N 2.92Å
675D98.2Very high96.4Very high15 Ų1542.5 Ų42.58%0.0820%0.2CC..EExtended strand (participates in β ladder)trans-118.7116.5173.8-173.43.4000111L651 Y652 L653 N654 F673 S677 Y696 A698L651-D675 PolarHBondContact O-N 2.93Å; Y652-D675 HydrophobicContact CD1-CB 4.19Å; L653-D675 CarbonylContact C-O 3.45Å; L653-D675 WeakPolarHBondContact CA-O 3.43Å; L653-D675 PolarHBondContact N-O 3.35Å; N654-D675 PolarHBondContact N-O 3.46Å; N654-D675 PolarHBondContact OD1-OD2 2.64Å; F673-D675 HydrophobicContact CE1-CB 3.87Å; D675-S677 WeakPolarHBondContact OD1-CB 3.43Å; D675-S677 PolarHBondContact OD1-N 3.29Å; D675-S677 PolarHBondContact OD1-OG 3.44Å; D675-Y696 HydrophobicContact CB-CE1 4.35Å; D675-A698 HydrophobicContact CB-CB 4.47Å
676L97.7Very high96.3Very high0 Ų045.3 Ų45.30%022%0.218CC..  trans-121.218.6178.9-68.8167.9000111.3I638 L653 I661 L674 N679 L681 F697 A698 V699 N702I638-L676 HydrophobicContact CD1-CD2 4.45Å; L653-L676 HydrophobicContact CB-CD2 3.82Å; L653-L676 HydrophobicContact CD1-CD2 3.88Å; I661-L676 HydrophobicContact CD1-CD1 3.48Å; I661-L676 VanDerWaalsContact CD1-CD1 3.48Å; I661-L676 HydrophobicContact CG1-CD1 4.16Å; L674-L676 HydrophobicContact CD1-CD1 4.17Å; L674-L676 HydrophobicContact CD1-CD2 4.43Å; L674-L676 HydrophobicContact CD1-CG 3.97Å; L674-L676 HydrophobicContact CD2-CD1 4.05Å; L674-L676 HydrophobicContact CG-CD1 4.08Å; L674-L676 HydrophobicContact CG-CG 4.17Å; L676-N679 PolarHBondContact O-ND2 2.85Å; L676-L681 HydrophobicContact CB-CD1 3.94Å; L676-L681 HydrophobicContact CD1-CD1 4.23Å; L676-F697 HydrophobicContact CD1-CE2 4.21Å; L676-A698 PolarHBondContact N-O 3.19Å; L676-V699 HydrophobicContact CB-CG1 4.07Å; L676-V699 HydrophobicContact CD1-CG1 4.47Å; L676-N702 PolarHBondContact O-ND2 2.88Å
677S97.9Very high96.4Very high10 Ų1047.1 Ų47.17%0.0723%0.228CC..  trans-64.3152.8-176.6-51.90000112.8N654 R655 D675 N679 A698 T700N654-S677 CarbonylContact C-O 3.58Å; N654-S677 WeakPolarHBondContact CA-O 3.37Å; N654-S677 VanDerWaalsContact CB-O 3.26Å; N654-S677 WeakPolarHBondContact CB-O 3.38Å; R655-S677 PolarHBondContact N-O 3.18Å; D675-S677 WeakPolarHBondContact OD1-CB 3.43Å; D675-S677 PolarHBondContact OD1-N 3.29Å; D675-S677 PolarHBondContact OD1-OG 3.44Å; S677-N679 PolarHBondContact O-ND2 3.26Å; S677-A698 WeakPolarHBondContact OG-CB 3.22Å; S677-T700 CarbonylContact C-O 3.34Å; S677-T700 WeakPolarHBondContact CA-O 3.46Å; S677-T700 WeakPolarHBondContact CB-O 3.46Å; S677-T700 PolarHBondContact OG-N 3.07Å
678H97.9Very high96.4Very high81 Ų8142.2 Ų42.238%0.37521%0.207SC..SBendtrans54.257.5-178.6-59.7-84.5000112.5R655 N656 T700 A701R655-H678 VanDerWaalsContact CA-O 3.22Å; R655-H678 WeakPolarHBondContact CA-O 3.38Å; R655-H678 HydrophobicContact CB-CB 4.26Å; R655-H678 HydrophobicContact CG-CB 3.47Å; R655-H678 VanDerWaalsContact CG-CB 3.47Å; R655-H678 PolarHBondContact N-O 2.86Å; N656-H678 PolarHBondContact N-O 3.28Å; H678-T700 PolarHBondContact N-O 3.2Å; H678-A701 VanDerWaalsContact CA-O 3.27Å; H678-A701 WeakPolarHBondContact CA-O 3.46Å; H678-A701 PolarHBondContact N-O 3.32Å; H678-A701 VanDerWaalsContact ND1-CB 3.33Å; H678-A701 WeakPolarHBondContact ND1-CB 3.34Å
679N98.1Very high96.3Very high5 Ų542.2 Ų42.23%0.02721%0.206CC..SBendtrans-126.8-170.4171.2-82.1-73.2000109L653 N656 K657 I658 L676 S677 L681 A701 N702L653-N679 PolarHBondContact O-ND2 3.35Å; N656-N679 WeakPolarHBondContact CA-OD1 3.5Å; N656-N679 WeakPolarHBondContact CB-OD1 2.92Å; N656-N679 PolarHBondContact N-OD1 2.91Å; N656-N679 PolarHBondContact O-OD1 3.43Å; K657-N679 PolarHBondContact N-OD1 3.31Å; I658-N679 HydrophobicContact CB-CB 4.29Å; I658-N679 WeakPolarHBondContact CB-OD1 3.48Å; I658-N679 WeakPolarHBondContact CG1-OD1 3.28Å; I658-N679 PolarHBondContact N-OD1 3.01Å; L676-N679 PolarHBondContact O-ND2 2.85Å; S677-N679 PolarHBondContact O-ND2 3.26Å; N679-L681 HydrophobicContact CB-CG 4.14Å; N679-A701 PolarHBondContact N-O 2.7Å; N679-N702 VanDerWaalsContact CA-OD1 3.27Å; N679-N702 WeakPolarHBondContact CA-OD1 3.32Å; N679-N702 WeakPolarHBondContact CB-OD1 3.35Å; N679-N702 PolarHBondContact N-OD1 2.96Å; N679-N702 PolarHBondContact O-OD1 3.29Å; N679-N702 VanDerWaalsContact O-OD1 3.05Å
680N96.7Very high96.4Very high55 Ų5539.2 Ų39.229%0.29420%0.198SC..  trans-10930.8178.5-68.7-18.4000111.7I658 E659I658-N680 CarbonylContact O-C 3.58Å; I658-N680 WeakPolarHBondContact O-CA 3.23Å; I658-N680 PolarHBondContact O-N 3.46Å; E659-N680 HydrophobicContact CG-CB 4.12Å
681L96.9Very high96.4Very high0 Ų034.6 Ų34.60%018%0.178CC..  trans-69.1133.3-177.4-60.4173.8000110.9I658 I661 L676 N679 N702 R703 I704I658-L681 HydrophobicContact CG2-CD2 3.96Å; I658-L681 PolarHBondContact O-N 2.96Å; I661-L681 HydrophobicContact CD1-CD1 3.98Å; I661-L681 HydrophobicContact CD1-CD2 4.36Å; I661-L681 HydrophobicContact CG1-CD1 4.22Å; I661-L681 HydrophobicContact CG1-CD2 3.82Å; L676-L681 HydrophobicContact CB-CD1 3.94Å; L676-L681 HydrophobicContact CD1-CD1 4.23Å; N679-L681 HydrophobicContact CB-CG 4.14Å; L681-N702 HydrophobicContact CB-CB 4.18Å; L681-N702 VanDerWaalsContact CB-OD1 3.29Å; L681-N702 WeakPolarHBondContact CB-OD1 3.46Å; L681-N702 WeakPolarHBondContact CG-OD1 3.44Å; L681-N702 PolarHBondContact N-OD1 3.49Å; L681-R703 CarbonylContact O-C 3.22Å; L681-R703 VanDerWaalsContact O-C 3.25Å; L681-R703 WeakPolarHBondContact O-CA 3.42Å; L681-R703 PolarHBondContact O-N 3.03Å; L681-I704 HydrophobicContact CB-CG1 4.47Å; L681-I704 PolarHBondContact O-N 3.28Å
682T95.3Very high96.2Very high73 Ų7340.8 Ų40.845%0.44821%0.207SC..  trans-101.3-23.2177.247.80000113.1R703 I704T682-R703 WeakPolarHBondContact CA-O 3.4Å; T682-R703 HydrophobicContact CG2-CB 4.43Å; T682-I704 WeakPolarHBondContact O-CA 3.13Å
683S94.4Very high96.1Very high70 Ų7038 Ų3849%0.4920%0.2SC..  trans-151.3160.7177.562.70000111.2
684I94.4Very high96.1Very high7 Ų736.1 Ų36.14%0.03619%0.192CC..  trans-101.3133.9170.4-55.3163.6000106.9I688 F697 V699 I704 L707 P708I684-I688 HydrophobicContact CG2-CB 4.14Å; I684-I688 HydrophobicContact CG2-CG1 4.39Å; I684-I688 HydrophobicContact CG2-CG2 4.16Å; I684-F697 HydrophobicContact CD1-CE1 3.96Å; I684-F697 HydrophobicContact CD1-CZ 4.23Å; I684-F697 HydrophobicContact CG2-CZ 4.24Å; I684-V699 HydrophobicContact CD1-CG2 4.38Å; I684-I704 HydrophobicContact CD1-CD1 4.09Å; I684-I704 HydrophobicContact CD1-CG2 4.49Å; I684-I704 HydrophobicContact CG1-CD1 3.86Å; I684-I704 HydrophobicContact CG1-CG2 4.47Å; I684-L707 HydrophobicContact CD1-CD2 3.71Å; I684-P708 HydrophobicContact CB-CG 3.95Å; I684-P708 HydrophobicContact CG2-CG 4.07Å
685H94.5Very high96.1Very high62 Ų6239.4 Ų39.429%0.28721%0.207SC..  trans-70.2138.4-179.4-164.9-80.8000111.2F666 D687 I688F666-H685 HydrophobicContact CE2-CB 3.47Å; F666-H685 VanDerWaalsContact CE2-CB 3.47Å; F666-H685 AromaticContact CE2-CG 3.85Å; F666-H685 AromaticContact CE2-ND1 3.93Å; F666-H685 HydrophobicContact CZ-CB 3.73Å; H685-D687 VanDerWaalsContact CE1-CG 3.41Å; H685-D687 IonicContact CE1-OD1 3.65Å; H685-D687 IonicContact CE1-OD2 2.81Å; H685-D687 PolarHBondContact CE1-OD2 3.28Å; H685-D687 WeakPolarHBondContact ND1-CB 3.35Å; H685-D687 PolarHBondContact ND1-N 3.09Å; H685-D687 IonicContact ND1-OD1 3.14Å; H685-D687 IonicContact ND1-OD2 2.75Å; H685-D687 PolarHBondContact ND1-OD2 3.32Å; H685-D687 PolarHBondContact O-N 3Å; H685-D687 VanDerWaalsContact O-N 3.16Å; H685-I688 WeakPolarHBondContact O-CB 3.43Å; H685-I688 WeakPolarHBondContact O-CG2 3.4Å; H685-I688 PolarHBondContact O-N 3.06Å; H685-I688 VanDerWaalsContact O-N 3.11Å
686P93.4Very high96.1Very high59 Ų5941.2 Ų41.238%0.38321%0.214SC..G310 helixtrans-54.4-33.3-178.8-30.136.9000114.8I688 G689 E710P686-I688 PolarHBondContact O-N 3.22Å; P686-G689 PolarHBondContact O-N 2.97Å; P686-E710 HydrophobicContact CB-CG 4.16Å; P686-E710 WeakPolarHBondContact O-CB 3.44Å; P686-E710 WeakPolarHBondContact O-CG 3.29Å
687D95.9Very high96.1Very high41 Ų4141.3 Ų41.322%0.21921%0.214CC..G310 helixtrans-59.4-6.2177.5-66.2-7.1000115S663 F666 H685 G689 F690S663-D687 VanDerWaalsContact CB-OD2 3.29Å; S663-D687 WeakPolarHBondContact CB-OD2 3.42Å; F666-D687 HydrophobicContact CB-CB 3.79Å; F666-D687 VanDerWaalsContact CB-O 3.32Å; F666-D687 WeakPolarHBondContact CB-O 3.34Å; F666-D687 HydrophobicContact CD2-CB 3.34Å; F666-D687 HydrophobicContact CE2-CB 4.1Å; F666-D687 VanDerWaalsContact CG-C 3.49Å; F666-D687 HydrophobicContact CG-CB 3.62Å; F666-D687 WeakPolarHBondContact CG-O 3.19Å; H685-D687 VanDerWaalsContact CE1-CG 3.41Å; H685-D687 IonicContact CE1-OD1 3.65Å; H685-D687 IonicContact CE1-OD2 2.81Å; H685-D687 PolarHBondContact CE1-OD2 3.28Å; H685-D687 WeakPolarHBondContact ND1-CB 3.35Å; H685-D687 PolarHBondContact ND1-N 3.09Å; H685-D687 IonicContact ND1-OD1 3.14Å; H685-D687 IonicContact ND1-OD2 2.75Å; H685-D687 PolarHBondContact ND1-OD2 3.32Å; H685-D687 PolarHBondContact O-N 3Å; H685-D687 VanDerWaalsContact O-N 3.16Å; D687-G689 PolarHBondContact O-N 3.22Å; D687-G689 VanDerWaalsContact O-N 3.11Å; D687-F690 HydrophobicContact CB-CD2 3.71Å; D687-F690 HydrophobicContact CB-CE2 3.79Å; D687-F690 WeakPolarHBondContact O-CB 3.49Å; D687-F690 WeakPolarHBondContact O-CD2 3.45Å; D687-F690 PolarHBondContact O-N 3.18Å; D687-F690 WeakPolarHBondContact OD1-CE2 3.42Å
688I95.6Very high96.1Very high0 Ų040.8 Ų40.80%021%0.21CC..G310 helixtrans-49.9-32.4168.4-170.867.1000112.6F666 I684 H685 P686 F690 L691 L694 F697 P708 E710 L711 C714F666-I688 VanDerWaalsContact CD1-CA 3.45Å; F666-I688 HydrophobicContact CD1-CB 4.28Å; F666-I688 HydrophobicContact CD1-CD1 4.19Å; F666-I688 HydrophobicContact CE1-CB 3.82Å; F666-I688 HydrophobicContact CE1-CD1 3.67Å; F666-I688 HydrophobicContact CE1-CG1 4.35Å; I684-I688 HydrophobicContact CG2-CB 4.14Å; I684-I688 HydrophobicContact CG2-CG1 4.39Å; I684-I688 HydrophobicContact CG2-CG2 4.16Å; H685-I688 WeakPolarHBondContact O-CB 3.43Å; H685-I688 WeakPolarHBondContact O-CG2 3.4Å; H685-I688 PolarHBondContact O-N 3.06Å; H685-I688 VanDerWaalsContact O-N 3.11Å; P686-I688 PolarHBondContact O-N 3.22Å; I688-F690 PolarHBondContact O-N 2.56Å; I688-F690 VanDerWaalsContact O-N 3.12Å; I688-L691 HydrophobicContact CD1-CD1 3.9Å; I688-L691 WeakPolarHBondContact O-CB 3.48Å; I688-L691 PolarHBondContact O-N 3.4Å; I688-L694 HydrophobicContact CD1-CD2 4Å; I688-F697 HydrophobicContact CD1-CE2 4.4Å; I688-F697 HydrophobicContact CD1-CZ 4.26Å; I688-P708 HydrophobicContact CG2-CG 4.01Å; I688-E710 HydrophobicContact CG2-CB 4.49Å; I688-L711 HydrophobicContact CG1-CD1 3.81Å; I688-L711 HydrophobicContact CG2-CB 4.11Å; I688-L711 HydrophobicContact CG2-CD1 4.42Å; I688-C714 PolarHBondContact O-SG 2.99Å; I688-C714 VanDerWaalsContact O-SG 3.33Å
689G93.2Very high96.1Very high1 Ų137 Ų371%0.0119%0.193CC..G310 helixtrans-60.4-19.7176.600000114.5P686 D687 L691 E710P686-G689 PolarHBondContact O-N 2.97Å; D687-G689 PolarHBondContact O-N 3.22Å; D687-G689 VanDerWaalsContact O-N 3.11Å; G689-L691 VanDerWaalsContact C-N 3.27Å; G689-L691 PolarHBondContact O-N 3.01Å; G689-E710 VanDerWaalsContact CA-O 3.27Å; G689-E710 WeakPolarHBondContact CA-O 3.44Å
690F95.3Very high96Very high96 Ų9637.5 Ų37.542%0.42120%0.196SC..G310 helixtrans-72.4-18.3173.9-60.1-35.2000113.5F666 D687 I688 Q692F666-F690 HydrophobicContact CB-CD2 4.36Å; D687-F690 HydrophobicContact CB-CD2 3.71Å; D687-F690 HydrophobicContact CB-CE2 3.79Å; D687-F690 WeakPolarHBondContact O-CB 3.49Å; D687-F690 WeakPolarHBondContact O-CD2 3.45Å; D687-F690 PolarHBondContact O-N 3.18Å; D687-F690 WeakPolarHBondContact OD1-CE2 3.42Å; I688-F690 PolarHBondContact O-N 2.56Å; I688-F690 VanDerWaalsContact O-N 3.12Å; F690-Q692 PolarHBondContact O-N 3.45Å
691L96.1Very high96.1Very high0 Ų036 Ų360%019%0.191CC..  trans-82.963177.6-57.9-173000111.4F666 C668 L671 L674 I688 G689 N693 L694 C714F666-L691 HydrophobicContact CD1-CD1 3.96Å; F666-L691 HydrophobicContact CD1-CG 4.06Å; F666-L691 HydrophobicContact CE1-CD1 4.49Å; C668-L691 WeakPolarHBondContact O-CD2 3.31Å; L671-L691 HydrophobicContact CB-CD1 4.43Å; L671-L691 HydrophobicContact CB-CD2 4.31Å; L671-L691 HydrophobicContact CD2-CD1 3.94Å; L674-L691 HydrophobicContact CD2-CD1 4.46Å; I688-L691 HydrophobicContact CD1-CD1 3.9Å; I688-L691 WeakPolarHBondContact O-CB 3.48Å; I688-L691 PolarHBondContact O-N 3.4Å; G689-L691 VanDerWaalsContact C-N 3.27Å; G689-L691 PolarHBondContact O-N 3.01Å; L691-N693 PolarHBondContact O-N 2.87Å; L691-L694 HydrophobicContact CB-CB 4.11Å; L691-L694 HydrophobicContact CB-CD2 4.49Å; L691-L694 VanDerWaalsContact O-CB 3.23Å; L691-L694 WeakPolarHBondContact O-CB 3.13Å; L691-L694 PolarHBondContact O-N 3.41Å; L691-C714 PolarHBondContact O-SG 3.04Å; L691-C714 VanDerWaalsContact O-SG 3.4Å
692Q94.2Very high96.1Very high130 Ų13036.5 Ų36.561%0.60719%0.194SC*.THydrogen-bonded Turntrans-64.1-15-177.5-63.6-172.7-13.800114.3F690F690-Q692 PolarHBondContact O-N 3.45Å
693N96.5Very high96.2Very high52 Ų5239.8 Ų39.828%0.27820%0.198SC..THydrogen-bonded Turntrans-93.8-0.9176.9-69-47.6000114.3R669 L671 R672 L691 Q695 K716R669-N693 PolarHBondContact O-ND2 2.94Å; R669-N693 VanDerWaalsContact O-ND2 3.1Å; L671-N693 CarbonylContact O-C 3.36Å; R672-N693 HydrophobicContact CG-CB 4.48Å; L691-N693 PolarHBondContact O-N 2.87Å; N693-Q695 PolarHBondContact O-N 2.85Å; N693-K716 PolarHBondContact OD1-NZ 2.9Å
694L97.6Very high96.3Very high0 Ų036.5 Ų36.50%018%0.175CC..  trans-63.8128.6-177-163.365.3000110.7L671 L674 I688 L691 F697 K716 L717L671-L694 HydrophobicContact CD2-CD1 4.49Å; L671-L694 PolarHBondContact O-N 2.84Å; L674-L694 HydrophobicContact CB-CD1 3.97Å; I688-L694 HydrophobicContact CD1-CD2 4Å; L691-L694 HydrophobicContact CB-CB 4.11Å; L691-L694 HydrophobicContact CB-CD2 4.49Å; L691-L694 VanDerWaalsContact O-CB 3.23Å; L691-L694 WeakPolarHBondContact O-CB 3.13Å; L691-L694 PolarHBondContact O-N 3.41Å; L694-F697 HydrophobicContact CD2-CB 3.82Å; L694-F697 HydrophobicContact CD2-CD2 4.31Å; L694-F697 HydrophobicContact CD2-CG 4.03Å; L694-F697 HydrophobicContact CG-CB 4.33Å; L694-K716 CarbonylContact O-C 3.6Å; L694-L717 HydrophobicContact CB-CD1 4.38Å; L694-L717 HydrophobicContact CD2-CD1 4.11Å; L694-L717 HydrophobicContact CG-CD1 3.91Å; L694-L717 WeakPolarHBondContact O-CA 3.41Å; L694-L717 PolarHBondContact O-N 3.43Å; L694-L717 VanDerWaalsContact O-N 3.1Å
695Q97.7Very high96.3Very high71 Ų7141.8 Ų41.833%0.33220%0.2SC..  trans-116.4-36.9-180-64.9179.11200111.4R672 N693 R718 T719R672-Q695 PolarHBondContact O-N 3.48Å; N693-Q695 PolarHBondContact O-N 2.85Å; Q695-R718 PolarHBondContact O-N 2.03Å; Q695-T719 PolarHBondContact O-N 3.43Å
696Y98.3Very high96.2Very high53 Ų5343.2 Ų43.221%0.20821%0.213CC..EExtended strand (participates in β ladder)trans-123.2124.7177.4-178.7-80.5000109.4R672 F673 L674 D675 A698 T719 N721R672-Y696 PolarHBondContact O-N 3.41Å; F673-Y696 AromaticContact CD1-CD1 3.91Å; F673-Y696 HydrophobicContact CD1-CD1 3.91Å; F673-Y696 HydrophobicContact CD1-CE1 4.42Å; F673-Y696 VanDerWaalsContact CD2-CB 3.4Å; F673-Y696 AromaticContact CD2-CD1 3.61Å; F673-Y696 HydrophobicContact CD2-CD1 3.61Å; F673-Y696 HydrophobicContact CD2-CD2 4.24Å; F673-Y696 HydrophobicContact CD2-CE1 4.43Å; F673-Y696 AromaticContact CD2-CG 3.49Å; F673-Y696 HydrophobicContact CD2-CG 3.49Å; F673-Y696 VanDerWaalsContact CD2-CG 3.49Å; F673-Y696 AromaticContact CE1-CD1 3.53Å; F673-Y696 HydrophobicContact CE1-CD1 3.53Å; F673-Y696 AromaticContact CE1-CE1 3.62Å; F673-Y696 HydrophobicContact CE1-CE1 3.62Å; F673-Y696 HydrophobicContact CE1-CG 4.37Å; F673-Y696 AromaticContact CE2-CD1 3.24Å; F673-Y696 HydrophobicContact CE2-CD1 3.24Å; F673-Y696 AromaticContact CE2-CD2 3.62Å; F673-Y696 HydrophobicContact CE2-CD2 3.62Å; F673-Y696 AromaticContact CE2-CE1 3.66Å; F673-Y696 HydrophobicContact CE2-CE1 3.66Å; F673-Y696 HydrophobicContact CE2-CE2 4.01Å; F673-Y696 AromaticContact CE2-CG 3.22Å; F673-Y696 HydrophobicContact CE2-CG 3.22Å; F673-Y696 AromaticContact CG-CD1 3.92Å; F673-Y696 HydrophobicContact CG-CD1 3.92Å; F673-Y696 HydrophobicContact CG-CG 4.2Å; F673-Y696 AromaticContact CZ-CD1 3.2Å; F673-Y696 HydrophobicContact CZ-CD1 3.2Å; F673-Y696 HydrophobicContact CZ-CD2 4.16Å; F673-Y696 AromaticContact CZ-CE1 3.18Å; F673-Y696 HydrophobicContact CZ-CE1 3.18Å; F673-Y696 HydrophobicContact CZ-CE2 4.15Å; F673-Y696 AromaticContact CZ-CG 3.72Å; F673-Y696 HydrophobicContact CZ-CG 3.72Å; F673-Y696 AromaticContact CZ-CZ 3.69Å; L674-Y696 PolarHBondContact N-O 3.49Å; D675-Y696 HydrophobicContact CB-CE1 4.35Å; Y696-A698 HydrophobicContact CD1-CB 4.47Å; Y696-A698 HydrophobicContact CE1-CB 3.52Å; Y696-T719 HydrophobicContact CD2-CG2 3.63Å; Y696-T719 HydrophobicContact CE2-CG2 3.6Å; Y696-N721 PolarHBondContact OH-ND2 3.12Å
697F98.1Very high96.3Very high1 Ų141 Ų410%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-135121.8173.9-174.4-136.5000110.5L674 L676 I684 I688 L694 V699 L711 L717 T719 L720 N721L674-F697 HydrophobicContact CB-CD2 4Å; L674-F697 HydrophobicContact CD2-CD2 3.92Å; L674-F697 HydrophobicContact CD2-CE2 3.67Å; L674-F697 HydrophobicContact CG-CD2 3.97Å; L674-F697 HydrophobicContact CG-CE2 4Å; L674-F697 WeakPolarHBondContact O-CA 3.2Å; L676-F697 HydrophobicContact CD1-CE2 4.21Å; I684-F697 HydrophobicContact CD1-CE1 3.96Å; I684-F697 HydrophobicContact CD1-CZ 4.23Å; I684-F697 HydrophobicContact CG2-CZ 4.24Å; I688-F697 HydrophobicContact CD1-CE2 4.4Å; I688-F697 HydrophobicContact CD1-CZ 4.26Å; L694-F697 HydrophobicContact CD2-CB 3.82Å; L694-F697 HydrophobicContact CD2-CD2 4.31Å; L694-F697 HydrophobicContact CD2-CG 4.03Å; L694-F697 HydrophobicContact CG-CB 4.33Å; F697-V699 HydrophobicContact CE1-CG1 4.07Å; F697-V699 HydrophobicContact CE1-CG2 4.48Å; F697-V699 HydrophobicContact CE2-CG1 3.69Å; F697-V699 HydrophobicContact CZ-CG1 3.41Å; F697-V699 VanDerWaalsContact CZ-CG1 3.41Å; F697-L711 HydrophobicContact CD1-CD1 3.82Å; F697-L711 HydrophobicContact CE1-CD1 3.88Å; F697-L717 HydrophobicContact CB-CD1 3.8Å; F697-T719 PolarHBondContact N-O 3.4Å; F697-L720 HydrophobicContact CB-CD1 4.29Å; F697-L720 HydrophobicContact CD1-CD1 3.7Å; F697-L720 HydrophobicContact CG-CD1 4.42Å; F697-L720 WeakPolarHBondContact O-CA 3.04Å; F697-N721 PolarHBondContact O-N 3.03Å
698A98Very high96.3Very high0 Ų039.7 Ų39.70%019%0.192CC..EExtended strand (participates in β ladder)trans-126.3128.6177.700000111.1L674 D675 L676 S677 Y696 N721L674-A698 PolarHBondContact O-N 2.92Å; D675-A698 HydrophobicContact CB-CB 4.47Å; L676-A698 PolarHBondContact N-O 3.19Å; S677-A698 WeakPolarHBondContact OG-CB 3.22Å; Y696-A698 HydrophobicContact CD1-CB 4.47Å; Y696-A698 HydrophobicContact CE1-CB 3.52Å; A698-N721 HydrophobicContact CB-CB 3.88Å
699V97.3Very high96.1Very high0 Ų042.5 Ų42.50%021%0.21CC..  trans-13427.9174.5-71.20000110.3L676 I684 F697 N702 I704 N721 L722 N725L676-V699 HydrophobicContact CB-CG1 4.07Å; L676-V699 HydrophobicContact CD1-CG1 4.47Å; I684-V699 HydrophobicContact CD1-CG2 4.38Å; F697-V699 HydrophobicContact CE1-CG1 4.07Å; F697-V699 HydrophobicContact CE1-CG2 4.48Å; F697-V699 HydrophobicContact CE2-CG1 3.69Å; F697-V699 HydrophobicContact CZ-CG1 3.41Å; F697-V699 VanDerWaalsContact CZ-CG1 3.41Å; V699-N702 PolarHBondContact O-ND2 3.09Å; V699-I704 HydrophobicContact CB-CD1 3.63Å; V699-I704 HydrophobicContact CG1-CD1 4.17Å; V699-I704 HydrophobicContact CG2-CD1 3.67Å; V699-N721 PolarHBondContact N-O 3.16Å; V699-L722 HydrophobicContact CG2-CD2 3.41Å; V699-L722 VanDerWaalsContact CG2-CD2 3.41Å; V699-N725 PolarHBondContact O-ND2 2.92Å
700T97.1Very high96.2Very high16 Ų1645.2 Ų45.210%0.09822%0.222CC..  trans-58.5145.5-179.1-55.70000111.1S677 H678 N702 N721 G723S677-T700 CarbonylContact C-O 3.34Å; S677-T700 WeakPolarHBondContact CA-O 3.46Å; S677-T700 WeakPolarHBondContact CB-O 3.46Å; S677-T700 PolarHBondContact OG-N 3.07Å; H678-T700 PolarHBondContact N-O 3.2Å; T700-N702 PolarHBondContact O-ND2 2.88Å; T700-N721 WeakPolarHBondContact OG1-CB 3.35Å; T700-G723 CarbonylContact C-O 3.38Å; T700-G723 WeakPolarHBondContact CA-O 3.5Å; T700-G723 WeakPolarHBondContact CG2-O 3.28Å
701A97.5Very high96.2Very high24 Ų2440.7 Ų40.720%0.19820%0.202CC..SBendtrans57.654.3178.500000113.1H678 N679 G723 N724H678-A701 VanDerWaalsContact CA-O 3.27Å; H678-A701 WeakPolarHBondContact CA-O 3.46Å; H678-A701 PolarHBondContact N-O 3.32Å; H678-A701 VanDerWaalsContact ND1-CB 3.33Å; H678-A701 WeakPolarHBondContact ND1-CB 3.34Å; N679-A701 PolarHBondContact N-O 2.7Å; A701-G723 PolarHBondContact N-O 3.25Å; A701-N724 WeakPolarHBondContact CA-O 3.49Å; A701-N724 HydrophobicContact CB-CB 4.14Å; A701-N724 PolarHBondContact N-O 2.61Å
702N97.8Very high96.1Very high10 Ų1040.7 Ų40.75%0.05320%0.202CC..SBendtrans-121.8-163.5169.8-81.2-80.9000109L676 N679 L681 V699 T700 I704 N724 N725L676-N702 PolarHBondContact O-ND2 2.88Å; N679-N702 VanDerWaalsContact CA-OD1 3.27Å; N679-N702 WeakPolarHBondContact CA-OD1 3.32Å; N679-N702 WeakPolarHBondContact CB-OD1 3.35Å; N679-N702 PolarHBondContact N-OD1 2.96Å; N679-N702 PolarHBondContact O-OD1 3.29Å; N679-N702 VanDerWaalsContact O-OD1 3.05Å; L681-N702 HydrophobicContact CB-CB 4.18Å; L681-N702 VanDerWaalsContact CB-OD1 3.29Å; L681-N702 WeakPolarHBondContact CB-OD1 3.46Å; L681-N702 WeakPolarHBondContact CG-OD1 3.44Å; L681-N702 PolarHBondContact N-OD1 3.49Å; V699-N702 PolarHBondContact O-ND2 3.09Å; T700-N702 PolarHBondContact O-ND2 2.88Å; N702-I704 HydrophobicContact CB-CD1 4.12Å; N702-I704 HydrophobicContact CB-CG1 4.09Å; N702-N724 PolarHBondContact N-O 3.01Å; N702-N725 WeakPolarHBondContact CA-OD1 3.21Å; N702-N725 WeakPolarHBondContact CB-OD1 3.24Å; N702-N725 PolarHBondContact N-OD1 3.4Å; N702-N725 PolarHBondContact O-OD1 3.3Å
703R96.5Very high96.1Very high142 Ų14238.6 Ų38.654%0.53619%0.193SC..  trans-120.736.2177.7-57.3178.8-168165.24.8111.1L681 T682 E705 N725L681-R703 CarbonylContact O-C 3.22Å; L681-R703 VanDerWaalsContact O-C 3.25Å; L681-R703 WeakPolarHBondContact O-CA 3.42Å; L681-R703 PolarHBondContact O-N 3.03Å; T682-R703 WeakPolarHBondContact CA-O 3.4Å; T682-R703 HydrophobicContact CG2-CB 4.43Å; R703-E705 PolarHBondContact O-N 2.8Å; R703-N725 PolarHBondContact N-OD1 3.16Å
704I96.9Very high96Very high1 Ų136.1 Ų36.11%0.00518%0.179CC..  trans-73.5125-175.8-60.8164.5000109.4L681 T682 I684 V699 N702 T706 L707 N725 C726 L727L681-I704 HydrophobicContact CB-CG1 4.47Å; L681-I704 PolarHBondContact O-N 3.28Å; T682-I704 WeakPolarHBondContact O-CA 3.13Å; I684-I704 HydrophobicContact CD1-CD1 4.09Å; I684-I704 HydrophobicContact CD1-CG2 4.49Å; I684-I704 HydrophobicContact CG1-CD1 3.86Å; I684-I704 HydrophobicContact CG1-CG2 4.47Å; V699-I704 HydrophobicContact CB-CD1 3.63Å; V699-I704 HydrophobicContact CG1-CD1 4.17Å; V699-I704 HydrophobicContact CG2-CD1 3.67Å; N702-I704 HydrophobicContact CB-CD1 4.12Å; N702-I704 HydrophobicContact CB-CG1 4.09Å; I704-T706 WeakPolarHBondContact CG2-O 3.33Å; I704-L707 HydrophobicContact CG2-CD2 4.41Å; I704-N725 HydrophobicContact CB-CB 4.38Å; I704-N725 WeakPolarHBondContact CB-OD1 3.3Å; I704-N725 WeakPolarHBondContact CG1-OD1 3.4Å; I704-N725 PolarHBondContact N-OD1 3.13Å; I704-C726 CarbonylContact O-C 3.5Å; I704-C726 WeakPolarHBondContact O-CA 3.41Å; I704-C726 PolarHBondContact O-N 3.41Å; I704-L727 HydrophobicContact CG2-CD2 3.98Å; I704-L727 PolarHBondContact O-N 3.2Å
705E94.5Very high95.7Very high119 Ų11940.5 Ų40.556%0.55620%0.198SC*.  trans-93.2-35.3-178.6-64.1-177.1177.300113R703 C726 L727R703-E705 PolarHBondContact O-N 2.8Å; E705-C726 HydrophobicContact CG-CB 4.24Å; E705-L727 WeakPolarHBondContact O-CA 3.25Å
706T93.8Very high95.6Very high91 Ų9142.2 Ų42.256%0.55821%0.205SC*.  trans-142.8148.9-178.658.70000111.2I704I704-T706 WeakPolarHBondContact CG2-O 3.33Å
707L95.1Very high95.5Very high14 Ų1439.7 Ų39.77%0.07320%0.195CC..  trans-92.9134.3172.5-58.3175.1000110.5I684 I704 L711 F712 L722 L727 L730 F734I684-L707 HydrophobicContact CD1-CD2 3.71Å; I704-L707 HydrophobicContact CG2-CD2 4.41Å; L707-L711 HydrophobicContact CB-CD2 4.42Å; L707-L711 HydrophobicContact CD1-CD2 4.37Å; L707-L711 HydrophobicContact CD2-CD2 4.26Å; L707-F712 HydrophobicContact CB-CZ 4.43Å; L707-F712 HydrophobicContact CD1-CZ 4.29Å; L707-L722 HydrophobicContact CD1-CD1 3.67Å; L707-L722 HydrophobicContact CD2-CD1 4.32Å; L707-L722 HydrophobicContact CD2-CD2 3.86Å; L707-L727 HydrophobicContact CD1-CD1 4.33Å; L707-L727 HydrophobicContact CD2-CD1 4.29Å; L707-L727 HydrophobicContact CD2-CD2 4.02Å; L707-L727 HydrophobicContact CG-CD1 4.28Å; L707-L727 HydrophobicContact CG-CD2 3.89Å; L707-L730 HydrophobicContact CD1-CD2 4.22Å; L707-F734 HydrophobicContact CD1-CE2 3.77Å; L707-F734 HydrophobicContact CD1-CZ 3.57Å
708P94.4Very high95.4Very high13 Ų1346.5 Ų46.58%0.08422%0.221CC..  trans-68.6141.1176.328.7-34.4000110.7I684 I688 E710 L711I684-P708 HydrophobicContact CB-CG 3.95Å; I684-P708 HydrophobicContact CG2-CG 4.07Å; I688-P708 HydrophobicContact CG2-CG 4.01Å; P708-E710 WeakPolarHBondContact CB-OE2 3.31Å; P708-E710 PolarHBondContact O-N 3.06Å; P708-E710 VanDerWaalsContact O-N 3.12Å; P708-L711 HydrophobicContact CG-CB 4.37Å; P708-L711 WeakPolarHBondContact O-CB 3.38Å; P708-L711 PolarHBondContact O-N 2.96Å; P708-L711 VanDerWaalsContact O-N 3.09Å
709P92.3Very high95.4Very high59 Ų5947.5 Ų47.538%0.38323%0.226SC..G310 helixtrans-61.8-20.3179.325.1-33.4000113.2L711 F712P709-L711 VanDerWaalsContact C-N 3.31Å; P709-L711 PolarHBondContact O-N 3.32Å; P709-F712 WeakPolarHBondContact O-CD2 3.42Å
710E95.2Very high95.4Very high58 Ų5847.5 Ų47.527%0.27123%0.226SC..G310 helixtrans-70.5-22.9176.6-64.475.3-163.400113.2P686 I688 G689 P708 F712 Q713P686-E710 HydrophobicContact CB-CG 4.16Å; P686-E710 WeakPolarHBondContact O-CB 3.44Å; P686-E710 WeakPolarHBondContact O-CG 3.29Å; I688-E710 HydrophobicContact CG2-CB 4.49Å; G689-E710 VanDerWaalsContact CA-O 3.27Å; G689-E710 WeakPolarHBondContact CA-O 3.44Å; P708-E710 WeakPolarHBondContact CB-OE2 3.31Å; P708-E710 PolarHBondContact O-N 3.06Å; P708-E710 VanDerWaalsContact O-N 3.12Å; E710-F712 PolarHBondContact O-N 3.35Å; E710-Q713 VanDerWaalsContact O-CB 3.22Å; E710-Q713 WeakPolarHBondContact O-CB 3.33Å; E710-Q713 WeakPolarHBondContact O-CG 3.46Å; E710-Q713 PolarHBondContact O-N 3.27Å
711L95.4Very high95.4Very high0 Ų047.4 Ų47.40%023%0.226CC..G310 helixtrans-56.6-34.5176.2177.663.6000111.8I688 F697 L707 P708 P709 Q713 C714 L720I688-L711 HydrophobicContact CG1-CD1 3.81Å; I688-L711 HydrophobicContact CG2-CB 4.11Å; I688-L711 HydrophobicContact CG2-CD1 4.42Å; F697-L711 HydrophobicContact CD1-CD1 3.82Å; F697-L711 HydrophobicContact CE1-CD1 3.88Å; L707-L711 HydrophobicContact CB-CD2 4.42Å; L707-L711 HydrophobicContact CD1-CD2 4.37Å; L707-L711 HydrophobicContact CD2-CD2 4.26Å; P708-L711 HydrophobicContact CG-CB 4.37Å; P708-L711 WeakPolarHBondContact O-CB 3.38Å; P708-L711 PolarHBondContact O-N 2.96Å; P708-L711 VanDerWaalsContact O-N 3.09Å; P709-L711 VanDerWaalsContact C-N 3.31Å; P709-L711 PolarHBondContact O-N 3.32Å; L711-Q713 PolarHBondContact O-N 3.22Å; L711-C714 WeakPolarHBondContact O-CB 3.22Å; L711-C714 PolarHBondContact O-N 2.71Å; L711-L720 HydrophobicContact CD2-CD2 4.36Å
712F93.6Very high95.4Very high1 Ų146.3 Ų46.30%0.00422%0.216CC..G310 helixtrans-75.1-6.3-178.7-52.3-77.6000113L707 P709 E710 C714 K715 P731 R733 F734 L737L707-F712 HydrophobicContact CB-CZ 4.43Å; L707-F712 HydrophobicContact CD1-CZ 4.29Å; P709-F712 WeakPolarHBondContact O-CD2 3.42Å; E710-F712 PolarHBondContact O-N 3.35Å; F712-C714 VanDerWaalsContact C-N 3.27Å; F712-K715 WeakPolarHBondContact O-CE 3.05Å; F712-K715 PolarHBondContact O-NZ 3.5Å; F712-P731 HydrophobicContact CD2-CG 4.35Å; F712-P731 HydrophobicContact CE1-CG 4.36Å; F712-P731 HydrophobicContact CE2-CB 4.33Å; F712-P731 HydrophobicContact CE2-CG 3.29Å; F712-P731 HydrophobicContact CZ-CG 3.31Å; F712-R733 HydrophobicContact CB-CB 3.91Å; F712-R733 HydrophobicContact CD1-CB 4.29Å; F712-R733 VanDerWaalsContact CD1-O 3.31Å; F712-R733 WeakPolarHBondContact CD1-O 3.43Å; F712-R733 HydrophobicContact CD2-CB 3.82Å; F712-R733 HydrophobicContact CG-CB 3.7Å; F712-F734 HydrophobicContact CD1-CG 4.4Å; F712-F734 HydrophobicContact CE1-CB 4.27Å; F712-F734 AromaticContact CE1-CD1 3.8Å; F712-F734 HydrophobicContact CE1-CD1 3.8Å; F712-F734 AromaticContact CE1-CD2 3.51Å; F712-F734 HydrophobicContact CE1-CD2 3.51Å; F712-F734 AromaticContact CE1-CE1 3.93Å; F712-F734 HydrophobicContact CE1-CE1 3.93Å; F712-F734 AromaticContact CE1-CE2 3.63Å; F712-F734 HydrophobicContact CE1-CE2 3.63Å; F712-F734 AromaticContact CE1-CG 3.59Å; F712-F734 HydrophobicContact CE1-CG 3.59Å; F712-F734 AromaticContact CE1-CZ 3.84Å; F712-F734 HydrophobicContact CE1-CZ 3.84Å; F712-F734 AromaticContact CZ-CD2 3.78Å; F712-F734 HydrophobicContact CZ-CD2 3.78Å; F712-F734 AromaticContact CZ-CE2 3.62Å; F712-F734 HydrophobicContact CZ-CE2 3.62Å; F712-F734 HydrophobicContact CZ-CG 4.34Å; F712-F734 HydrophobicContact CZ-CZ 4.06Å; F712-L737 HydrophobicContact CD1-CD1 3.8Å; F712-L737 HydrophobicContact CD1-CG 4.04Å; F712-L737 HydrophobicContact CE1-CD1 4.2Å
713Q93.6Very high95.3Very high86 Ų8645.9 Ų45.940%0.40221%0.214SC..G310 helixtrans-75-16.8170.6-58.51751.700112.1E710 L711 K715E710-Q713 VanDerWaalsContact O-CB 3.22Å; E710-Q713 WeakPolarHBondContact O-CB 3.33Å; E710-Q713 WeakPolarHBondContact O-CG 3.46Å; E710-Q713 PolarHBondContact O-N 3.27Å; L711-Q713 PolarHBondContact O-N 3.22Å; Q713-K715 VanDerWaalsContact C-N 3.29Å; Q713-K715 PolarHBondContact O-N 3.24Å
714C95Very high95.3Very high0 Ų043.5 Ų43.50%021%0.212CC..  trans-75.370177.3-63.90000112.4I688 L691 L711 F712 K716 L717 L737I688-C714 PolarHBondContact O-SG 2.99Å; I688-C714 VanDerWaalsContact O-SG 3.33Å; L691-C714 PolarHBondContact O-SG 3.04Å; L691-C714 VanDerWaalsContact O-SG 3.4Å; L711-C714 WeakPolarHBondContact O-CB 3.22Å; L711-C714 PolarHBondContact O-N 2.71Å; F712-C714 VanDerWaalsContact C-N 3.27Å; C714-K716 PolarHBondContact O-N 3.4Å; C714-L717 HydrophobicContact CB-CB 4.47Å; C714-L717 VanDerWaalsContact O-CB 3.27Å; C714-L717 WeakPolarHBondContact O-CB 3.18Å; C714-L717 PolarHBondContact O-N 3.28Å; C714-L737 WeakPolarHBondContact O-CD2 3.48Å
715K91.5Very high95.3Very high91 Ų9143.8 Ų43.840%0.39621%0.213SC..THydrogen-bonded Turntrans-61.1-16.9-172.7-56.8-53.3-178.3-165.40116F712 Q713 E736F712-K715 WeakPolarHBondContact O-CE 3.05Å; F712-K715 PolarHBondContact O-NZ 3.5Å; Q713-K715 VanDerWaalsContact C-N 3.29Å; Q713-K715 PolarHBondContact O-N 3.24Å; K715-E736 WeakPolarHBondContact CD-O 3.11Å; K715-E736 PolarHBondContact NZ-O 3.49Å; K715-E736 IonicContact NZ-OE2 2.64Å; K715-E736 PolarHBondContact NZ-OE2 2.9Å
716K95.6Very high95.4Very high108 Ų10839.3 Ų39.347%0.4720%0.195SC..THydrogen-bonded Turntrans-89.41.2178.2-64.8-170.7-170.61690113.8N693 L694 C714 R718N693-K716 PolarHBondContact OD1-NZ 2.9Å; L694-K716 CarbonylContact O-C 3.6Å; C714-K716 PolarHBondContact O-N 3.4Å; K716-R718 PolarHBondContact O-N 3.39Å
717L96.6Very high95.5Very high0 Ų035 Ų350%017%0.168CC..  trans-65.6124.9-177.2-161.271.4000110.6L694 F697 C714 L720 L737 G739 L740L694-L717 HydrophobicContact CB-CD1 4.38Å; L694-L717 HydrophobicContact CD2-CD1 4.11Å; L694-L717 HydrophobicContact CG-CD1 3.91Å; L694-L717 WeakPolarHBondContact O-CA 3.41Å; L694-L717 PolarHBondContact O-N 3.43Å; L694-L717 VanDerWaalsContact O-N 3.1Å; F697-L717 HydrophobicContact CB-CD1 3.8Å; C714-L717 HydrophobicContact CB-CB 4.47Å; C714-L717 VanDerWaalsContact O-CB 3.27Å; C714-L717 WeakPolarHBondContact O-CB 3.18Å; C714-L717 PolarHBondContact O-N 3.28Å; L717-L720 HydrophobicContact CD2-CB 3.91Å; L717-L720 HydrophobicContact CD2-CD1 4.16Å; L717-L720 HydrophobicContact CD2-CD2 3.97Å; L717-L720 HydrophobicContact CD2-CG 4.23Å; L717-L737 HydrophobicContact CB-CD2 4.31Å; L717-L737 HydrophobicContact CD2-CD1 4.2Å; L717-G739 CarbonylContact O-C 3.46Å; L717-L740 HydrophobicContact CG-CD1 4.47Å; L717-L740 WeakPolarHBondContact O-CA 3.35Å; L717-L740 PolarHBondContact O-N 3.4Å
718R96.3Very high95.5Very high144 Ų14440 Ų4054%0.54319%0.191SC..  trans-108.3-39.8179.9-62.4-174.3178.2-158-2.3111.8Q695 K716 T741 Q742Q695-R718 PolarHBondContact O-N 2.03Å; K716-R718 PolarHBondContact O-N 3.39Å; R718-T741 PolarHBondContact O-N 2.87Å; R718-T741 PolarHBondContact O-OG1 2.86Å; R718-T741 VanDerWaalsContact O-OG1 3.07Å; R718-Q742 PolarHBondContact O-N 3.35Å
719T97.4Very high95.3Very high20 Ų2043.9 Ų43.912%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-125.4121.1-177.7-54.50000109.3Q695 Y696 F697 N721 Q742Q695-T719 PolarHBondContact O-N 3.43Å; Y696-T719 HydrophobicContact CD2-CG2 3.63Å; Y696-T719 HydrophobicContact CE2-CG2 3.6Å; F697-T719 PolarHBondContact N-O 3.4Å; T719-N721 WeakPolarHBondContact CG2-OD1 3.41Å; T719-Q742 WeakPolarHBondContact CA-O 3.16Å; T719-Q742 HydrophobicContact CG2-CB 4.13Å; T719-Q742 HydrophobicContact CG2-CG 4.22Å
720L97.3Very high95.3Very high0 Ų041.8 Ų41.80%020%0.201CC..EExtended strand (participates in β ladder)trans-125.6107.5177.8179.651.9000109.5F697 L711 L717 L722 F734 L737 L740 Q742 L743 E744F697-L720 HydrophobicContact CB-CD1 4.29Å; F697-L720 HydrophobicContact CD1-CD1 3.7Å; F697-L720 HydrophobicContact CG-CD1 4.42Å; F697-L720 WeakPolarHBondContact O-CA 3.04Å; L711-L720 HydrophobicContact CD2-CD2 4.36Å; L717-L720 HydrophobicContact CD2-CB 3.91Å; L717-L720 HydrophobicContact CD2-CD1 4.16Å; L717-L720 HydrophobicContact CD2-CD2 3.97Å; L717-L720 HydrophobicContact CD2-CG 4.23Å; L720-L722 HydrophobicContact CD1-CD1 4.33Å; L720-L722 HydrophobicContact CD1-CD2 3.76Å; L720-L722 HydrophobicContact CD1-CG 3.92Å; L720-L722 HydrophobicContact CD2-CD1 4.02Å; L720-L722 HydrophobicContact CD2-CG 4.47Å; L720-L722 HydrophobicContact CG-CD1 3.93Å; L720-L722 HydrophobicContact CG-CD2 4.25Å; L720-L722 HydrophobicContact CG-CG 3.86Å; L720-F734 HydrophobicContact CD2-CE1 3.88Å; L720-F734 HydrophobicContact CD2-CZ 4.38Å; L720-L737 HydrophobicContact CD2-CD1 4.3Å; L720-L740 HydrophobicContact CB-CD1 3.82Å; L720-Q742 PolarHBondContact N-O 3.21Å; L720-L743 HydrophobicContact CB-CD1 4.02Å; L720-L743 HydrophobicContact CD2-CD1 4.1Å; L720-L743 HydrophobicContact CG-CD1 3.98Å; L720-L743 WeakPolarHBondContact O-CA 3.26Å; L720-L743 WeakPolarHBondContact O-CD1 3.27Å; L720-E744 PolarHBondContact O-N 2.91Å
721N97.4Very high95Very high15 Ų1541 Ų418%0.0820%0.2CC..EExtended strand (participates in β ladder)trans-106.1111.4-179.2-63.1-12.3000110.5Y696 F697 A698 V699 T700 T719 E744Y696-N721 PolarHBondContact OH-ND2 3.12Å; F697-N721 PolarHBondContact O-N 3.03Å; A698-N721 HydrophobicContact CB-CB 3.88Å; V699-N721 PolarHBondContact N-O 3.16Å; T700-N721 WeakPolarHBondContact OG1-CB 3.35Å; T719-N721 WeakPolarHBondContact CG2-OD1 3.41Å; N721-E744 HydrophobicContact CB-CB 4.33Å
722L96.9Very high94.5Very high1 Ų144.3 Ų44.31%0.00522%0.224CC..  trans-120.67.7-174.6-60.2172.6000112.6V699 L707 L720 N725 L727 F734 L743 E744 L745 N748V699-L722 HydrophobicContact CG2-CD2 3.41Å; V699-L722 VanDerWaalsContact CG2-CD2 3.41Å; L707-L722 HydrophobicContact CD1-CD1 3.67Å; L707-L722 HydrophobicContact CD2-CD1 4.32Å; L707-L722 HydrophobicContact CD2-CD2 3.86Å; L720-L722 HydrophobicContact CD1-CD1 4.33Å; L720-L722 HydrophobicContact CD1-CD2 3.76Å; L720-L722 HydrophobicContact CD1-CG 3.92Å; L720-L722 HydrophobicContact CD2-CD1 4.02Å; L720-L722 HydrophobicContact CD2-CG 4.47Å; L720-L722 HydrophobicContact CG-CD1 3.93Å; L720-L722 HydrophobicContact CG-CD2 4.25Å; L720-L722 HydrophobicContact CG-CG 3.86Å; L722-N725 PolarHBondContact O-ND2 3.21Å; L722-L727 HydrophobicContact CB-CD1 4.1Å; L722-L727 HydrophobicContact CD1-CD1 4.15Å; L722-F734 HydrophobicContact CD1-CZ 4.11Å; L722-L743 HydrophobicContact CD1-CD1 4.3Å; L722-E744 CarbonylContact C-O 3.34Å; L722-E744 WeakPolarHBondContact CA-O 3.01Å; L722-E744 WeakPolarHBondContact CB-O 3.5Å; L722-E744 PolarHBondContact N-O 3.3Å; L722-L745 HydrophobicContact CB-CD2 4.25Å; L722-L745 HydrophobicContact CD1-CD2 3.85Å; L722-N748 PolarHBondContact O-ND2 3.19Å
723G95.8Very high94.4Very high0 Ų049.4 Ų49.40%024%0.243CC..  trans-60.3158.4-172.800000113.7T700 A701 N725 E744 R746T700-G723 CarbonylContact C-O 3.38Å; T700-G723 WeakPolarHBondContact CA-O 3.5Å; T700-G723 WeakPolarHBondContact CG2-O 3.28Å; A701-G723 PolarHBondContact N-O 3.25Å; G723-N725 PolarHBondContact O-N 3.47Å; G723-N725 PolarHBondContact O-ND2 3.42Å; G723-E744 PolarHBondContact N-O 2.97Å; G723-R746 CarbonylContact C-O 3.1Å; G723-R746 WeakPolarHBondContact CA-O 3.31Å
724N97Very high94Very high92 Ų9245.3 Ų45.349%0.49222%0.224SC..SBendtrans51.451.4178.8-61.7-38.1000113.1A701 N702 R746 G747A701-N724 WeakPolarHBondContact CA-O 3.49Å; A701-N724 HydrophobicContact CB-CB 4.14Å; A701-N724 PolarHBondContact N-O 2.61Å; N702-N724 PolarHBondContact N-O 3.01Å; N724-R746 PolarHBondContact N-O 3.35Å; N724-G747 VanDerWaalsContact CA-O 3.29Å; N724-G747 WeakPolarHBondContact CA-O 3.4Å
725N97.8Very high93.5Very high7 Ų745.4 Ų45.44%0.03722%0.224CC..SBendtrans-120.2-169173.3-85.1-75.1000110.1V699 N702 R703 I704 L722 G723 L727 G747 N748V699-N725 PolarHBondContact O-ND2 2.92Å; N702-N725 WeakPolarHBondContact CA-OD1 3.21Å; N702-N725 WeakPolarHBondContact CB-OD1 3.24Å; N702-N725 PolarHBondContact N-OD1 3.4Å; N702-N725 PolarHBondContact O-OD1 3.3Å; R703-N725 PolarHBondContact N-OD1 3.16Å; I704-N725 HydrophobicContact CB-CB 4.38Å; I704-N725 WeakPolarHBondContact CB-OD1 3.3Å; I704-N725 WeakPolarHBondContact CG1-OD1 3.4Å; I704-N725 PolarHBondContact N-OD1 3.13Å; L722-N725 PolarHBondContact O-ND2 3.21Å; G723-N725 PolarHBondContact O-N 3.47Å; G723-N725 PolarHBondContact O-ND2 3.42Å; N725-L727 HydrophobicContact CB-CG 4.3Å; N725-G747 PolarHBondContact N-O 2.9Å; N725-N748 VanDerWaalsContact CA-OD1 3.28Å; N725-N748 WeakPolarHBondContact CA-OD1 3.31Å; N725-N748 WeakPolarHBondContact CB-OD1 3.3Å; N725-N748 PolarHBondContact N-OD1 3.24Å; N725-N748 PolarHBondContact O-OD1 2.8Å
726C96.3Very high93.5Very high25 Ų2544.2 Ų44.217%0.16922%0.22CC..  trans-111.327.8178.7-66.30000112I704 E705 Q728I704-C726 CarbonylContact O-C 3.5Å; I704-C726 WeakPolarHBondContact O-CA 3.41Å; I704-C726 PolarHBondContact O-N 3.41Å; E705-C726 HydrophobicContact CG-CB 4.24Å; C726-Q728 PolarHBondContact O-N 2.03Å
727L96Very high93.4Very high0 Ų039 Ų390%020%0.198CC..  trans-64.7126.6-179.3-60.8174.2000110.3I704 E705 L707 L722 N725 L730 N748 R749 L750I704-L727 HydrophobicContact CG2-CD2 3.98Å; I704-L727 PolarHBondContact O-N 3.2Å; E705-L727 WeakPolarHBondContact O-CA 3.25Å; L707-L727 HydrophobicContact CD1-CD1 4.33Å; L707-L727 HydrophobicContact CD2-CD1 4.29Å; L707-L727 HydrophobicContact CD2-CD2 4.02Å; L707-L727 HydrophobicContact CG-CD1 4.28Å; L707-L727 HydrophobicContact CG-CD2 3.89Å; L722-L727 HydrophobicContact CB-CD1 4.1Å; L722-L727 HydrophobicContact CD1-CD1 4.15Å; N725-L727 HydrophobicContact CB-CG 4.3Å; L727-L730 HydrophobicContact CD1-CD2 4.22Å; L727-N748 HydrophobicContact CB-CB 4.17Å; L727-N748 VanDerWaalsContact CB-OD1 3.29Å; L727-N748 WeakPolarHBondContact CB-OD1 3.47Å; L727-N748 WeakPolarHBondContact CG-OD1 3.34Å; L727-N748 PolarHBondContact N-OD1 2.73Å; L727-N748 VanDerWaalsContact N-OD1 3.09Å; L727-R749 CarbonylContact O-C 3.56Å; L727-R749 WeakPolarHBondContact O-CA 3.35Å; L727-R749 PolarHBondContact O-N 2.86Å; L727-L750 HydrophobicContact CB-CD2 3.95Å; L727-L750 PolarHBondContact O-N 3.44Å
728Q93.5Very high93Very high119 Ų11942.9 Ų42.956%0.55622%0.221SC*.  trans-95.4-36.6177.2-63.517823.300112.1C726C726-Q728 PolarHBondContact O-N 2.03Å
729T91.3Very high92.8Very high96 Ų9636.7 Ų36.759%0.58920%0.203SC*.  trans-137.5156.5179.560.10000110.5
730L91.5Very high92.6Very high15 Ų1535.8 Ų35.88%0.07920%0.197CC..  trans-111.2127.6169.6-62.7178.7000108.1L707 L727 F734 L745 L750 L753 P754L707-L730 HydrophobicContact CD1-CD2 4.22Å; L727-L730 HydrophobicContact CD1-CD2 4.22Å; L730-F734 HydrophobicContact CB-CD2 3.78Å; L730-F734 HydrophobicContact CB-CE2 3.58Å; L730-F734 HydrophobicContact CD1-CE2 4.25Å; L730-F734 HydrophobicContact CD2-CE2 3.58Å; L730-F734 HydrophobicContact CD2-CZ 3.85Å; L730-F734 HydrophobicContact CG-CE2 3.97Å; L730-L745 HydrophobicContact CD1-CD1 3.57Å; L730-L745 HydrophobicContact CD1-CD2 3.9Å; L730-L745 HydrophobicContact CD1-CG 4.38Å; L730-L745 HydrophobicContact CD2-CD2 3.91Å; L730-L750 HydrophobicContact CD1-CD1 3.9Å; L730-L750 HydrophobicContact CD2-CD1 4.29Å; L730-L750 HydrophobicContact CD2-CD2 4.03Å; L730-L750 HydrophobicContact CG-CD1 4.02Å; L730-L750 HydrophobicContact CG-CD2 3.8Å; L730-L753 HydrophobicContact CD1-CD2 3.86Å; L730-P754 HydrophobicContact CB-CG 3.79Å; L730-P754 HydrophobicContact CD1-CG 4.45Å
731P89.5Confident92.5Very high40 Ų4038.6 Ų38.626%0.2621%0.214SC..  trans-66.2148.8-18024.7-35.1000112.4F712 R733 F734F712-P731 HydrophobicContact CD2-CG 4.35Å; F712-P731 HydrophobicContact CE1-CG 4.36Å; F712-P731 HydrophobicContact CE2-CB 4.33Å; F712-P731 HydrophobicContact CE2-CG 3.29Å; F712-P731 HydrophobicContact CZ-CG 3.31Å; P731-R733 PolarHBondContact O-N 2.76Å; P731-F734 HydrophobicContact CG-CD2 4.32Å; P731-F734 HydrophobicContact CG-CE2 4.34Å; P731-F734 VanDerWaalsContact O-CD2 3.3Å; P731-F734 WeakPolarHBondContact O-CD2 3.48Å; P731-F734 PolarHBondContact O-N 3.45Å
732S85.3Confident92.4Very high70 Ų7041.8 Ų41.849%0.4923%0.228SC..G310 helixtrans-57.3-19.4178.249.80000114.2F734 E756S732-F734 PolarHBondContact O-N 3.36Å; S732-F734 VanDerWaalsContact O-N 3.07Å; S732-E756 VanDerWaalsContact CB-CD 3.48Å; S732-E756 WeakPolarHBondContact CB-OE1 3.46Å; S732-E756 WeakPolarHBondContact O-CB 3.47Å; S732-E756 VanDerWaalsContact O-CG 3.3Å; S732-E756 WeakPolarHBondContact O-CG 3.45Å
733R90Very high92.3Very high109 Ų10941.7 Ų41.741%0.41123%0.228SC..G310 helixtrans-68.5-2.3178.3-54-172.699.8158.714.3114.7F712 P731 G735 E736F712-R733 HydrophobicContact CB-CB 3.91Å; F712-R733 HydrophobicContact CD1-CB 4.29Å; F712-R733 VanDerWaalsContact CD1-O 3.31Å; F712-R733 WeakPolarHBondContact CD1-O 3.43Å; F712-R733 HydrophobicContact CD2-CB 3.82Å; F712-R733 HydrophobicContact CG-CB 3.7Å; P731-R733 PolarHBondContact O-N 2.76Å; R733-G735 PolarHBondContact O-N 3.33Å; R733-E736 HydrophobicContact CB-CG 4.24Å; R733-E736 IonicContact CZ-OE1 3.61Å; R733-E736 IonicContact NE-OE1 2.82Å; R733-E736 PolarHBondContact NE-OE1 2.89Å; R733-E736 IonicContact NH2-OE1 3.63Å; R733-E736 WeakPolarHBondContact O-CB 3.03Å; R733-E736 WeakPolarHBondContact O-CG 3.03Å; R733-E736 PolarHBondContact O-N 3.41Å
734F87.1Confident92.4Very high0 Ų044.2 Ų44.20%024%0.24CC..G310 helixtrans-55.8-37.2173.2-98.9-81000112.8L707 F712 L720 L722 L730 P731 S732 E736 L737 L743 L757 C760L707-F734 HydrophobicContact CD1-CE2 3.77Å; L707-F734 HydrophobicContact CD1-CZ 3.57Å; F712-F734 HydrophobicContact CD1-CG 4.4Å; F712-F734 HydrophobicContact CE1-CB 4.27Å; F712-F734 AromaticContact CE1-CD1 3.8Å; F712-F734 HydrophobicContact CE1-CD1 3.8Å; F712-F734 AromaticContact CE1-CD2 3.51Å; F712-F734 HydrophobicContact CE1-CD2 3.51Å; F712-F734 AromaticContact CE1-CE1 3.93Å; F712-F734 HydrophobicContact CE1-CE1 3.93Å; F712-F734 AromaticContact CE1-CE2 3.63Å; F712-F734 HydrophobicContact CE1-CE2 3.63Å; F712-F734 AromaticContact CE1-CG 3.59Å; F712-F734 HydrophobicContact CE1-CG 3.59Å; F712-F734 AromaticContact CE1-CZ 3.84Å; F712-F734 HydrophobicContact CE1-CZ 3.84Å; F712-F734 AromaticContact CZ-CD2 3.78Å; F712-F734 HydrophobicContact CZ-CD2 3.78Å; F712-F734 AromaticContact CZ-CE2 3.62Å; F712-F734 HydrophobicContact CZ-CE2 3.62Å; F712-F734 HydrophobicContact CZ-CG 4.34Å; F712-F734 HydrophobicContact CZ-CZ 4.06Å; L720-F734 HydrophobicContact CD2-CE1 3.88Å; L720-F734 HydrophobicContact CD2-CZ 4.38Å; L722-F734 HydrophobicContact CD1-CZ 4.11Å; L730-F734 HydrophobicContact CB-CD2 3.78Å; L730-F734 HydrophobicContact CB-CE2 3.58Å; L730-F734 HydrophobicContact CD1-CE2 4.25Å; L730-F734 HydrophobicContact CD2-CE2 3.58Å; L730-F734 HydrophobicContact CD2-CZ 3.85Å; L730-F734 HydrophobicContact CG-CE2 3.97Å; P731-F734 HydrophobicContact CG-CD2 4.32Å; P731-F734 HydrophobicContact CG-CE2 4.34Å; P731-F734 VanDerWaalsContact O-CD2 3.3Å; P731-F734 WeakPolarHBondContact O-CD2 3.48Å; P731-F734 PolarHBondContact O-N 3.45Å; S732-F734 PolarHBondContact O-N 3.36Å; S732-F734 VanDerWaalsContact O-N 3.07Å; F734-E736 PolarHBondContact O-N 3.19Å; F734-E736 VanDerWaalsContact O-N 3.13Å; F734-L737 HydrophobicContact CD1-CD1 4.46Å; F734-L737 WeakPolarHBondContact O-CB 3.47Å; F734-L737 PolarHBondContact O-N 3.43Å; F734-L737 VanDerWaalsContact O-N 3.07Å; F734-L743 HydrophobicContact CD1-CD2 4.31Å; F734-L743 HydrophobicContact CE1-CD1 4.07Å; F734-L743 HydrophobicContact CE1-CD2 4.11Å; F734-L757 HydrophobicContact CB-CD2 4.18Å; F734-L757 HydrophobicContact CD1-CD2 4.2Å; F734-L757 HydrophobicContact CG-CD2 4.37Å; F734-C760 PolarHBondContact O-SG 3.07Å
735G83.6Confident92.3Very high1 Ų139.8 Ų39.81%0.0122%0.216CC..G310 helixtrans-60.2-22.4176.900000114.1R733 L737 E756R733-G735 PolarHBondContact O-N 3.33Å; G735-L737 PolarHBondContact O-N 3.49Å; G735-E756 WeakPolarHBondContact CA-O 3.39Å
736E91.5Very high92.2Very high66 Ų6647 Ų4731%0.30824%0.243SC..G310 helixtrans-73.5-10.1178.1-43.8-179.2-166.200113.8K715 R733 F734 T738K715-E736 WeakPolarHBondContact CD-O 3.11Å; K715-E736 PolarHBondContact NZ-O 3.49Å; K715-E736 IonicContact NZ-OE2 2.64Å; K715-E736 PolarHBondContact NZ-OE2 2.9Å; R733-E736 HydrophobicContact CB-CG 4.24Å; R733-E736 IonicContact CZ-OE1 3.61Å; R733-E736 IonicContact NE-OE1 2.82Å; R733-E736 PolarHBondContact NE-OE1 2.89Å; R733-E736 IonicContact NH2-OE1 3.63Å; R733-E736 WeakPolarHBondContact O-CB 3.03Å; R733-E736 WeakPolarHBondContact O-CG 3.03Å; R733-E736 PolarHBondContact O-N 3.41Å; F734-E736 PolarHBondContact O-N 3.19Å; F734-E736 VanDerWaalsContact O-N 3.13Å; E736-T738 VanDerWaalsContact C-N 3.3Å; E736-T738 PolarHBondContact O-N 3.37Å
737L92.6Very high92.1Very high0 Ų047.2 Ų47.20%025%0.25CC..  trans-87.565.5174.5-64.2175.7000110.4F712 C714 L717 L720 F734 G735 G739 L740F712-L737 HydrophobicContact CD1-CD1 3.8Å; F712-L737 HydrophobicContact CD1-CG 4.04Å; F712-L737 HydrophobicContact CE1-CD1 4.2Å; C714-L737 WeakPolarHBondContact O-CD2 3.48Å; L717-L737 HydrophobicContact CB-CD2 4.31Å; L717-L737 HydrophobicContact CD2-CD1 4.2Å; L720-L737 HydrophobicContact CD2-CD1 4.3Å; F734-L737 HydrophobicContact CD1-CD1 4.46Å; F734-L737 WeakPolarHBondContact O-CB 3.47Å; F734-L737 PolarHBondContact O-N 3.43Å; F734-L737 VanDerWaalsContact O-N 3.07Å; G735-L737 PolarHBondContact O-N 3.49Å; L737-G739 PolarHBondContact O-N 2.84Å; L737-G739 VanDerWaalsContact O-N 3.13Å; L737-L740 HydrophobicContact CB-CB 4.19Å; L737-L740 VanDerWaalsContact O-CB 3.26Å; L737-L740 WeakPolarHBondContact O-CB 3.27Å; L737-L740 PolarHBondContact O-N 2.9Å; L737-L740 VanDerWaalsContact O-N 3.1Å
738T89.3Confident92.1Very high80 Ų8048.1 Ų48.149%0.49125%0.254SS..THydrogen-bonded Turntrans-63.3-21-175.956.80000114.1E736E736-T738 VanDerWaalsContact C-N 3.3Å; E736-T738 PolarHBondContact O-N 3.37Å
739G91.1Very high92.1Very high15 Ų1550.6 Ų50.616%0.15526%0.259CS..THydrogen-bonded Turntrans-82.3-4.4176.900000115.5L717 L737 T741L717-G739 CarbonylContact O-C 3.46Å; L737-G739 PolarHBondContact O-N 2.84Å; L737-G739 VanDerWaalsContact O-N 3.13Å; G739-T741 PolarHBondContact O-N 3.42Å
740L94.5Very high92.3Very high0 Ų046.7 Ų46.70%023%0.234CC..  trans-72.4125.6-171.8-164.471.8000111.2L717 L720 L737 L743 L762 L763L717-L740 HydrophobicContact CG-CD1 4.47Å; L717-L740 WeakPolarHBondContact O-CA 3.35Å; L717-L740 PolarHBondContact O-N 3.4Å; L720-L740 HydrophobicContact CB-CD1 3.82Å; L737-L740 HydrophobicContact CB-CB 4.19Å; L737-L740 VanDerWaalsContact O-CB 3.26Å; L737-L740 WeakPolarHBondContact O-CB 3.27Å; L737-L740 PolarHBondContact O-N 2.9Å; L737-L740 VanDerWaalsContact O-N 3.1Å; L740-L743 HydrophobicContact CD2-CB 3.99Å; L740-L743 HydrophobicContact CD2-CD1 4.47Å; L740-L743 HydrophobicContact CD2-CD2 4.15Å; L740-L743 HydrophobicContact CD2-CG 4.43Å; L740-L762 CarbonylContact O-C 3.25Å; L740-L762 VanDerWaalsContact O-C 3.23Å; L740-L763 WeakPolarHBondContact O-CA 3.34Å; L740-L763 PolarHBondContact O-N 3.15Å
741T94.3Very high92.3Very high59 Ų5954.3 Ų54.336%0.36227%0.269SS..  trans-111-29.2178.258.60000112.2R718 G739 L762 G767R718-T741 PolarHBondContact O-N 2.87Å; R718-T741 PolarHBondContact O-OG1 2.86Å; R718-T741 VanDerWaalsContact O-OG1 3.07Å; G739-T741 PolarHBondContact O-N 3.42Å; T741-L762 HydrophobicContact CG2-CB 4.07Å; T741-G767 WeakPolarHBondContact O-CA 3.5Å
742Q95.6Very high92.4Very high82 Ų8256 Ų5638%0.38328%0.281SS..EExtended strand (participates in β ladder)trans-137.7129.7-177.6-175.8176.36.500110.9R718 T719 L720 G767R718-Q742 PolarHBondContact O-N 3.35Å; T719-Q742 WeakPolarHBondContact CA-O 3.16Å; T719-Q742 HydrophobicContact CG2-CB 4.13Å; T719-Q742 HydrophobicContact CG2-CG 4.22Å; L720-Q742 PolarHBondContact N-O 3.21Å; Q742-G767 CarbonylContact C-O 3.2Å; Q742-G767 WeakPolarHBondContact CA-O 3.45Å
743L95.8Very high92.8Very high0 Ų053 Ų530%026%0.26CS..EExtended strand (participates in β ladder)trans-136.3116.6-179.7178.656.9000109.5L720 L722 F734 L740 L745 L757 L763 G767 L768 V769L720-L743 HydrophobicContact CB-CD1 4.02Å; L720-L743 HydrophobicContact CD2-CD1 4.1Å; L720-L743 HydrophobicContact CG-CD1 3.98Å; L720-L743 WeakPolarHBondContact O-CA 3.26Å; L720-L743 WeakPolarHBondContact O-CD1 3.27Å; L722-L743 HydrophobicContact CD1-CD1 4.3Å; F734-L743 HydrophobicContact CD1-CD2 4.31Å; F734-L743 HydrophobicContact CE1-CD1 4.07Å; F734-L743 HydrophobicContact CE1-CD2 4.11Å; L740-L743 HydrophobicContact CD2-CB 3.99Å; L740-L743 HydrophobicContact CD2-CD1 4.47Å; L740-L743 HydrophobicContact CD2-CD2 4.15Å; L740-L743 HydrophobicContact CD2-CG 4.43Å; L743-L745 HydrophobicContact CD1-CD2 4.05Å; L743-L745 HydrophobicContact CD1-CG 4.15Å; L743-L745 HydrophobicContact CD2-CD1 3.92Å; L743-L745 HydrophobicContact CD2-CG 4.29Å; L743-L745 HydrophobicContact CG-CD1 4.07Å; L743-L745 HydrophobicContact CG-CD2 4.34Å; L743-L745 HydrophobicContact CG-CG 3.92Å; L743-L757 HydrophobicContact CD2-CD2 3.66Å; L743-L763 HydrophobicContact CB-CD1 4.16Å; L743-G767 PolarHBondContact N-O 3.49Å; L743-L768 HydrophobicContact CB-CD1 4.13Å; L743-L768 HydrophobicContact CD2-CD1 3.92Å; L743-L768 HydrophobicContact CG-CD1 4.1Å; L743-V769 PolarHBondContact O-N 3.16Å
744E96.5Very high92.9Very high52 Ų5248.6 Ų48.624%0.24325%0.245CC..EExtended strand (participates in β ladder)trans-106.3118.4175.2-178.7-177.3-150.800110.6L720 N721 L722 G723 V769L720-E744 PolarHBondContact O-N 2.91Å; N721-E744 HydrophobicContact CB-CB 4.33Å; L722-E744 CarbonylContact C-O 3.34Å; L722-E744 WeakPolarHBondContact CA-O 3.01Å; L722-E744 WeakPolarHBondContact CB-O 3.5Å; L722-E744 PolarHBondContact N-O 3.3Å; G723-E744 PolarHBondContact N-O 2.97Å; E744-V769 HydrophobicContact CB-CB 4.26Å; E744-V769 HydrophobicContact CG-CB 4.23Å; E744-V769 HydrophobicContact CG-CG1 4.22Å
745L95.8Very high93Very high0 Ų052.4 Ų52.40%027%0.268CS..  trans-120.9-6.1-177.9-65.7169.2000113.4L722 L730 L743 N748 L750 L753 L768 V769 V770L722-L745 HydrophobicContact CB-CD2 4.25Å; L722-L745 HydrophobicContact CD1-CD2 3.85Å; L730-L745 HydrophobicContact CD1-CD1 3.57Å; L730-L745 HydrophobicContact CD1-CD2 3.9Å; L730-L745 HydrophobicContact CD1-CG 4.38Å; L730-L745 HydrophobicContact CD2-CD2 3.91Å; L743-L745 HydrophobicContact CD1-CD2 4.05Å; L743-L745 HydrophobicContact CD1-CG 4.15Å; L743-L745 HydrophobicContact CD2-CD1 3.92Å; L743-L745 HydrophobicContact CD2-CG 4.29Å; L743-L745 HydrophobicContact CG-CD1 4.07Å; L743-L745 HydrophobicContact CG-CD2 4.34Å; L743-L745 HydrophobicContact CG-CG 3.92Å; L745-N748 WeakPolarHBondContact O-CB 3.34Å; L745-N748 PolarHBondContact O-N 3.41Å; L745-N748 PolarHBondContact O-ND2 3.39Å; L745-L750 HydrophobicContact CB-CD1 4.15Å; L745-L750 HydrophobicContact CD1-CD1 4.33Å; L745-L750 HydrophobicContact CD2-CD1 4.31Å; L745-L753 HydrophobicContact CD1-CD2 3.82Å; L745-L768 HydrophobicContact CD1-CD1 4.23Å; L745-V769 PolarHBondContact N-O 2.93Å; L745-V770 HydrophobicContact CB-CB 4.34Å; L745-V770 HydrophobicContact CB-CG2 4.11Å; L745-V770 HydrophobicContact CD1-CG2 4.49Å
746R95Very high93.4Very high158 Ų15854.9 Ų54.960%0.59628%0.279SS*.THydrogen-bonded Turntrans-56.6140.7-173.5-161.9179.9-170.8-151.32.3112.6G723 N724 V769 E771G723-R746 CarbonylContact C-O 3.1Å; G723-R746 WeakPolarHBondContact CA-O 3.31Å; N724-R746 PolarHBondContact N-O 3.35Å; R746-V769 PolarHBondContact N-O 2.91Å; R746-E771 WeakPolarHBondContact CA-OE1 3.49Å; R746-E771 WeakPolarHBondContact CG-OE1 3.4Å
747G93.8Very high93.4Very high30 Ų3051.7 Ų51.731%0.30927%0.265SS..THydrogen-bonded Turntrans77.522.9178.400000114N724 N725 E771N724-G747 VanDerWaalsContact CA-O 3.29Å; N724-G747 WeakPolarHBondContact CA-O 3.4Å; N725-G747 PolarHBondContact N-O 2.9Å; G747-E771 PolarHBondContact N-OE1 3.33Å
748N96.4Very high93Very high19 Ų1952.7 Ų52.710%0.10228%0.275CS..SBendtrans-95.8-176.9167.5-80.2-76.5000111.2L722 N725 L727 L745 L750L722-N748 PolarHBondContact O-ND2 3.19Å; N725-N748 VanDerWaalsContact CA-OD1 3.28Å; N725-N748 WeakPolarHBondContact CA-OD1 3.31Å; N725-N748 WeakPolarHBondContact CB-OD1 3.3Å; N725-N748 PolarHBondContact N-OD1 3.24Å; N725-N748 PolarHBondContact O-OD1 2.8Å; L727-N748 HydrophobicContact CB-CB 4.17Å; L727-N748 VanDerWaalsContact CB-OD1 3.29Å; L727-N748 WeakPolarHBondContact CB-OD1 3.47Å; L727-N748 WeakPolarHBondContact CG-OD1 3.34Å; L727-N748 PolarHBondContact N-OD1 2.73Å; L727-N748 VanDerWaalsContact N-OD1 3.09Å; L745-N748 WeakPolarHBondContact O-CB 3.34Å; L745-N748 PolarHBondContact O-N 3.41Å; L745-N748 PolarHBondContact O-ND2 3.39Å; N748-L750 HydrophobicContact CB-CD1 4.28Å; N748-L750 HydrophobicContact CB-CG 3.92Å
749R94.7Very high93.1Very high170 Ų17054.5 Ų54.564%0.64228%0.277SS*.  trans-110.438.5177.9-58.2-179.4-171.7166.73.8111L727L727-R749 CarbonylContact O-C 3.56Å; L727-R749 WeakPolarHBondContact O-CA 3.35Å; L727-R749 PolarHBondContact O-N 2.86Å
750L95Very high93Very high15 Ų1553.8 Ų53.88%0.07927%0.27CS..  trans-73.2135.4-178.6-60.5173.4000109.6L727 L730 L745 N748 L753 L774L727-L750 HydrophobicContact CB-CD2 3.95Å; L727-L750 PolarHBondContact O-N 3.44Å; L730-L750 HydrophobicContact CD1-CD1 3.9Å; L730-L750 HydrophobicContact CD2-CD1 4.29Å; L730-L750 HydrophobicContact CD2-CD2 4.03Å; L730-L750 HydrophobicContact CG-CD1 4.02Å; L730-L750 HydrophobicContact CG-CD2 3.8Å; L745-L750 HydrophobicContact CB-CD1 4.15Å; L745-L750 HydrophobicContact CD1-CD1 4.33Å; L745-L750 HydrophobicContact CD2-CD1 4.31Å; N748-L750 HydrophobicContact CB-CD1 4.28Å; N748-L750 HydrophobicContact CB-CG 3.92Å; L750-L753 HydrophobicContact CD1-CD2 4.19Å; L750-L774 HydrophobicContact CB-CD1 3.98Å; L750-L774 HydrophobicContact CB-CD2 3.74Å; L750-L774 WeakPolarHBondContact O-CD2 3.44Å
751E91.7Very high92.5Very high174 Ų17463.4 Ų63.481%0.81331%0.307SS*.SBendtrans-88.8-36.6172.4-66.9-176173.500112
752C91.8Very high92.3Very high76 Ų7665.2 Ų65.251%0.51431%0.314SS..  trans-148.2163.1-179.962.60000111.6T777C752-T777 HydrophobicContact CB-CG2 4.46Å
753L92.9Very high92Very high8 Ų861.3 Ų61.34%0.04230%0.295CS..  trans-102.1141173.4-64179.4000110.9L730 L745 L750 L757 V770 L774 T777 L778L730-L753 HydrophobicContact CD1-CD2 3.86Å; L745-L753 HydrophobicContact CD1-CD2 3.82Å; L750-L753 HydrophobicContact CD1-CD2 4.19Å; L753-L757 HydrophobicContact CB-CD1 4.04Å; L753-L757 HydrophobicContact CD1-CD1 4.45Å; L753-L757 HydrophobicContact CD2-CD1 4.44Å; L753-V770 HydrophobicContact CD1-CG1 4.09Å; L753-V770 HydrophobicContact CD1-CG2 4.2Å; L753-V770 HydrophobicContact CD2-CG2 4.29Å; L753-L774 HydrophobicContact CD1-CB 4.47Å; L753-L774 WeakPolarHBondContact CD1-O 3.38Å; L753-L774 HydrophobicContact CD2-CD2 4.4Å; L753-L774 HydrophobicContact CG-CB 4.4Å; L753-L774 HydrophobicContact CG-CD2 4.26Å; L753-T777 PolarHBondContact N-OG1 3.15Å; L753-T777 VanDerWaalsContact N-OG1 3.15Å; L753-L778 HydrophobicContact CB-CD1 4.47Å; L753-L778 HydrophobicContact CB-CD2 3.72Å; L753-L778 HydrophobicContact CB-CG 3.91Å; L753-L778 HydrophobicContact CD1-CD1 3.97Å; L753-L778 HydrophobicContact CD1-CG 4.13Å
754P91.6Very high91.7Very high16 Ų1663.3 Ų63.310%0.10430%0.304CS..  trans-70.8139.7179.826-30000110.8L730 E756 L757 L778L730-P754 HydrophobicContact CB-CG 3.79Å; L730-P754 HydrophobicContact CD1-CG 4.45Å; P754-E756 VanDerWaalsContact CB-OE2 3.26Å; P754-E756 WeakPolarHBondContact CB-OE2 2.93Å; P754-E756 PolarHBondContact O-N 3.13Å; P754-L757 HydrophobicContact CG-CD1 4.33Å; P754-L757 HydrophobicContact CG-CG 4.16Å; P754-L757 WeakPolarHBondContact O-CB 3.42Å; P754-L757 PolarHBondContact O-N 3Å; P754-L778 WeakPolarHBondContact O-CD2 3.37Å
755V89.9Confident91.4Very high79 Ų7963.2 Ų63.248%0.47930%0.303SS..G310 helixtrans-63.8-25.9-179.4-58.90000111.9L757 G758 P779V755-L757 PolarHBondContact O-N 3.29Å; V755-L757 VanDerWaalsContact O-N 3.12Å; V755-G758 PolarHBondContact O-N 3.33Å; V755-P779 HydrophobicContact CB-CG 4.22Å; V755-P779 HydrophobicContact CG1-CG 3.55Å
756E92.1Very high91.1Very high53 Ų5367.3 Ų67.325%0.24833%0.331CS..G310 helixtrans-63.9-13.3178.3-6186.916700112.9S732 G735 P754 G758 E759S732-E756 VanDerWaalsContact CB-CD 3.48Å; S732-E756 WeakPolarHBondContact CB-OE1 3.46Å; S732-E756 WeakPolarHBondContact O-CB 3.47Å; S732-E756 VanDerWaalsContact O-CG 3.3Å; S732-E756 WeakPolarHBondContact O-CG 3.45Å; G735-E756 WeakPolarHBondContact CA-O 3.39Å; P754-E756 VanDerWaalsContact CB-OE2 3.26Å; P754-E756 WeakPolarHBondContact CB-OE2 2.93Å; P754-E756 PolarHBondContact O-N 3.13Å; E756-G758 PolarHBondContact O-N 3.12Å; E756-E759 WeakPolarHBondContact O-CB 3.47Å; E756-E759 PolarHBondContact O-N 3.28Å
757L89.9Confident90.9Very high0 Ų060.1 Ų60.10%031%0.307CS..G310 helixtrans-58.4-25.1167.4-75.9171.6000112.7F734 L743 L753 P754 V755 E759 C760 L763 L778F734-L757 HydrophobicContact CB-CD2 4.18Å; F734-L757 HydrophobicContact CD1-CD2 4.2Å; F734-L757 HydrophobicContact CG-CD2 4.37Å; L743-L757 HydrophobicContact CD2-CD2 3.66Å; L753-L757 HydrophobicContact CB-CD1 4.04Å; L753-L757 HydrophobicContact CD1-CD1 4.45Å; L753-L757 HydrophobicContact CD2-CD1 4.44Å; P754-L757 HydrophobicContact CG-CD1 4.33Å; P754-L757 HydrophobicContact CG-CG 4.16Å; P754-L757 WeakPolarHBondContact O-CB 3.42Å; P754-L757 PolarHBondContact O-N 3Å; V755-L757 PolarHBondContact O-N 3.29Å; V755-L757 VanDerWaalsContact O-N 3.12Å; L757-E759 PolarHBondContact O-N 3.24Å; L757-C760 WeakPolarHBondContact O-CB 3.25Å; L757-C760 PolarHBondContact O-N 2.83Å; L757-L763 HydrophobicContact CD2-CD2 4.25Å; L757-L778 HydrophobicContact CD1-CD2 4.45Å
758G86.2Confident90.8Very high20 Ų2058.8 Ų58.821%0.20629%0.292CS..G310 helixtrans-65.9-19.8172.400000114.1V755 E756 C760V755-G758 PolarHBondContact O-N 3.33Å; E756-G758 PolarHBondContact O-N 3.12Å; G758-C760 VanDerWaalsContact C-N 3.32Å
759E89.4Confident90.8Very high118 Ų11860.4 Ų60.455%0.55130%0.303SS*.G310 helixtrans-79.1-16.9177.5-55.5-174.1163.400112.6E756 L757 R761E756-E759 WeakPolarHBondContact O-CB 3.47Å; E756-E759 PolarHBondContact O-N 3.28Å; L757-E759 PolarHBondContact O-N 3.24Å; E759-R761 VanDerWaalsContact C-N 3.3Å; E759-R761 PolarHBondContact O-N 2.84Å
760C89.5Confident90.8Very high0 Ų053.1 Ų53.10%028%0.277CS..  trans-72.480.6172.6-64.80000110.7F734 L757 G758 L762 L763F734-C760 PolarHBondContact O-SG 3.07Å; L757-C760 WeakPolarHBondContact O-CB 3.25Å; L757-C760 PolarHBondContact O-N 2.83Å; G758-C760 VanDerWaalsContact C-N 3.32Å; C760-L762 PolarHBondContact O-N 3.49Å; C760-L763 HydrophobicContact CB-CB 3.71Å; C760-L763 HydrophobicContact CB-CD2 4.24Å; C760-L763 WeakPolarHBondContact O-CB 3.34Å; C760-L763 PolarHBondContact O-N 3.41Å
761R83.9Confident90.7Very high203 Ų20355 Ų5577%0.76629%0.285SS*.THydrogen-bonded Turntrans-56-27.4-173.3-61-174.1-177.2-173.2-0.8115.4E759E759-R761 VanDerWaalsContact C-N 3.3Å; E759-R761 PolarHBondContact O-N 2.84Å
762L90.1Very high90.7Very high97 Ų9754.3 Ų54.351%0.50828%0.282SS..THydrogen-bonded Turntrans-92.8-7.8-179.8-60.3-177000113.5L740 T741 C760L740-L762 CarbonylContact O-C 3.25Å; L740-L762 VanDerWaalsContact O-C 3.23Å; T741-L762 HydrophobicContact CG2-CB 4.07Å; C760-L762 PolarHBondContact O-N 3.49Å
763L90.4Very high90.7Very high0 Ų057.1 Ų57.10%029%0.292CS..  trans-79.1131.2178.1-174.364.5000108.6L740 L743 L757 C760 L768 L786L740-L763 WeakPolarHBondContact O-CA 3.34Å; L740-L763 PolarHBondContact O-N 3.15Å; L743-L763 HydrophobicContact CB-CD1 4.16Å; L757-L763 HydrophobicContact CD2-CD2 4.25Å; C760-L763 HydrophobicContact CB-CB 3.71Å; C760-L763 HydrophobicContact CB-CD2 4.24Å; C760-L763 WeakPolarHBondContact O-CB 3.34Å; C760-L763 PolarHBondContact O-N 3.41Å; L763-L768 HydrophobicContact CD1-CB 4.43Å; L763-L768 HydrophobicContact CD2-CD1 4.49Å; L763-L786 HydrophobicContact CB-CD2 4.36Å; L763-L786 HydrophobicContact CD2-CD2 4.49Å; L763-L786 HydrophobicContact CG-CD2 4.18Å; L763-L786 WeakPolarHBondContact O-CD2 3.26Å
764K89.9Confident90.6Very high41 Ų4157.5 Ų57.518%0.17829%0.294CS..  trans-117.6166.2178.3-50.4-173.4174.5-161.30110.6S766 G767 L768 A789 D790 Q793K764-S766 PolarHBondContact O-N 3.47Å; K764-G767 PolarHBondContact O-N 2.85Å; K764-L768 PolarHBondContact O-N 2.94Å; K764-A789 HydrophobicContact CB-CB 4.45Å; K764-A789 HydrophobicContact CD-CB 4.32Å; K764-A789 WeakPolarHBondContact CD-O 3.3Å; K764-A789 WeakPolarHBondContact CE-O 3.47Å; K764-A789 HydrophobicContact CG-CB 3.9Å; K764-A789 PolarHBondContact NZ-O 2.97Å; K764-D790 WeakPolarHBondContact CB-OD1 2.88Å; K764-D790 WeakPolarHBondContact CD-OD1 3.39Å; K764-Q793 VanDerWaalsContact NZ-CD 3.33Å
765K89.6Confident90.7Very high50 Ų5057.4 Ų57.422%0.21729%0.292CS..THydrogen-bonded Turntrans-60.2-36.6175.9175.271.2-163.3770111.9G767 L768 F775 L786 W787 D790K765-G767 VanDerWaalsContact C-N 3.28Å; K765-G767 PolarHBondContact O-N 3.04Å; K765-L768 PolarHBondContact NZ-O 3.37Å; K765-L768 PolarHBondContact O-N 3.3Å; K765-F775 HydrophobicContact CD-CD1 4.44Å; K765-F775 HydrophobicContact CD-CD2 3.92Å; K765-F775 HydrophobicContact CD-CE1 3.93Å; K765-F775 HydrophobicContact CD-CE2 3.34Å; K765-F775 HydrophobicContact CD-CG 4.44Å; K765-F775 HydrophobicContact CD-CZ 3.36Å; K765-L786 HydrophobicContact CB-CB 4.28Å; K765-L786 PolarHBondContact N-O 2.86Å; K765-W787 HydrophobicContact CG-CD2 4.44Å; K765-W787 HydrophobicContact CG-CZ2 4.39Å; K765-D790 WeakPolarHBondContact CA-OD2 3.26Å; K765-D790 VanDerWaalsContact CB-OD2 3.26Å; K765-D790 WeakPolarHBondContact CB-OD2 3.21Å; K765-D790 PolarHBondContact N-OD2 3.43Å
766S89.2Confident90.7Very high86 Ų8658.1 Ų58.160%0.60129%0.293SS*.THydrogen-bonded Turntrans-62.3-32173.258.90000113.6K764 D790K764-S766 PolarHBondContact O-N 3.47Å; S766-D790 WeakPolarHBondContact CB-OD1 3.47Å; S766-D790 PolarHBondContact N-OD2 3.45Å; S766-D790 PolarHBondContact OG-OD1 2.84Å
767G90Very high90.7Very high8 Ų858.6 Ų58.68%0.08230%0.3CS..THydrogen-bonded Turntrans-85.2-21.5177.700000114.5T741 Q742 L743 K764 K765 V769T741-G767 WeakPolarHBondContact O-CA 3.5Å; Q742-G767 CarbonylContact C-O 3.2Å; Q742-G767 WeakPolarHBondContact CA-O 3.45Å; L743-G767 PolarHBondContact N-O 3.49Å; K764-G767 PolarHBondContact O-N 2.85Å; K765-G767 VanDerWaalsContact C-N 3.28Å; K765-G767 PolarHBondContact O-N 3.04Å; G767-V769 PolarHBondContact O-N 2.81Å
768L93.3Very high90.8Very high1 Ų158.8 Ų58.81%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-90.697.8177.7-178.561.4000111.1L743 L745 L763 K764 K765 V770 F775 L778 L786L743-L768 HydrophobicContact CB-CD1 4.13Å; L743-L768 HydrophobicContact CD2-CD1 3.92Å; L743-L768 HydrophobicContact CG-CD1 4.1Å; L745-L768 HydrophobicContact CD1-CD1 4.23Å; L763-L768 HydrophobicContact CD1-CB 4.43Å; L763-L768 HydrophobicContact CD2-CD1 4.49Å; K764-L768 PolarHBondContact O-N 2.94Å; K765-L768 PolarHBondContact NZ-O 3.37Å; K765-L768 PolarHBondContact O-N 3.3Å; L768-V770 HydrophobicContact CD1-CG1 4.44Å; L768-V770 HydrophobicContact CD2-CG1 4.34Å; L768-V770 HydrophobicContact CG-CG1 3.99Å; L768-F775 HydrophobicContact CD2-CD2 3.89Å; L768-F775 HydrophobicContact CD2-CE2 4.02Å; L768-L778 HydrophobicContact CD2-CD1 4.35Å; L768-L786 HydrophobicContact CD2-CD1 4.02Å
769V94.8Very high91Very high53 Ų5360 Ų6032%0.32131%0.305SS..EExtended strand (participates in β ladder)trans-95.396.3179.7-1740000109.5L743 E744 L745 R746 G767L743-V769 PolarHBondContact O-N 3.16Å; E744-V769 HydrophobicContact CB-CB 4.26Å; E744-V769 HydrophobicContact CG-CB 4.23Å; E744-V769 HydrophobicContact CG-CG1 4.22Å; L745-V769 PolarHBondContact N-O 2.93Å; R746-V769 PolarHBondContact N-O 2.91Å; G767-V769 PolarHBondContact O-N 2.81Å
770V94.8Very high91Very high17 Ų1759 Ų5910%0.10331%0.308CS..  trans-145.2160.4-17968.10000109.4L745 L753 L768 L774 F775L745-V770 HydrophobicContact CB-CB 4.34Å; L745-V770 HydrophobicContact CB-CG2 4.11Å; L745-V770 HydrophobicContact CD1-CG2 4.49Å; L753-V770 HydrophobicContact CD1-CG1 4.09Å; L753-V770 HydrophobicContact CD1-CG2 4.2Å; L753-V770 HydrophobicContact CD2-CG2 4.29Å; L768-V770 HydrophobicContact CD1-CG1 4.44Å; L768-V770 HydrophobicContact CD2-CG1 4.34Å; L768-V770 HydrophobicContact CG-CG1 3.99Å; V770-L774 HydrophobicContact CG2-CB 3.72Å; V770-L774 HydrophobicContact CG2-CD1 4.1Å; V770-F775 HydrophobicContact CG1-CB 3.97Å; V770-F775 HydrophobicContact CG1-CD2 4.38Å
771E93.8Very high90.9Very high54 Ų5466.4 Ų66.425%0.25234%0.342SS..  trans-57.3144.5171.4-6578.2-174.700111.7R746 G747 D773 L774 F775R746-E771 WeakPolarHBondContact CA-OE1 3.49Å; R746-E771 WeakPolarHBondContact CG-OE1 3.4Å; G747-E771 PolarHBondContact N-OE1 3.33Å; E771-D773 VanDerWaalsContact C-N 3.33Å; E771-D773 PolarHBondContact O-N 3.28Å; E771-L774 HydrophobicContact CB-CB 4.4Å; E771-L774 HydrophobicContact CB-CD1 4.27Å; E771-L774 PolarHBondContact O-N 3.01Å; E771-L774 WeakPolarHBondContact OE2-CD1 3.27Å; E771-F775 PolarHBondContact O-N 3.37Å
772E90.8Very high91.1Very high160 Ų16057.6 Ų57.675%0.74831%0.311SS*.Hα-helixtrans-62.6-39.3-177.3-70.3-172.5167.900112.4L774 F775 N776E772-L774 VanDerWaalsContact C-N 3.3Å; E772-L774 PolarHBondContact O-N 3.38Å; E772-F775 WeakPolarHBondContact O-CB 3.24Å; E772-F775 PolarHBondContact O-N 3.26Å; E772-N776 VanDerWaalsContact O-CG 3.26Å; E772-N776 PolarHBondContact O-N 2.97Å; E772-N776 PolarHBondContact O-ND2 2.88Å; E772-N776 VanDerWaalsContact O-ND2 3.15Å
773D92.1Very high91Very high135 Ų13555.1 Ų55.172%0.72230%0.296SS*.Hα-helixtrans-60.3-41.6178.2-58.3-29.7000111.6E771 N776E771-D773 VanDerWaalsContact C-N 3.33Å; E771-D773 PolarHBondContact O-N 3.28Å; D773-N776 WeakPolarHBondContact O-CB 3.19Å; D773-N776 PolarHBondContact O-N 3.28Å
774L91.9Very high90.8Very high16 Ų1660.2 Ų60.28%0.08432%0.32CS..Hα-helixtrans-68.3-42.8175.3-91.3159.8000111.7L750 L753 V770 E771 E772 N776 T777L750-L774 HydrophobicContact CB-CD1 3.98Å; L750-L774 HydrophobicContact CB-CD2 3.74Å; L750-L774 WeakPolarHBondContact O-CD2 3.44Å; L753-L774 HydrophobicContact CD1-CB 4.47Å; L753-L774 WeakPolarHBondContact CD1-O 3.38Å; L753-L774 HydrophobicContact CD2-CD2 4.4Å; L753-L774 HydrophobicContact CG-CB 4.4Å; L753-L774 HydrophobicContact CG-CD2 4.26Å; V770-L774 HydrophobicContact CG2-CB 3.72Å; V770-L774 HydrophobicContact CG2-CD1 4.1Å; E771-L774 HydrophobicContact CB-CB 4.4Å; E771-L774 HydrophobicContact CB-CD1 4.27Å; E771-L774 PolarHBondContact O-N 3.01Å; E771-L774 WeakPolarHBondContact OE2-CD1 3.27Å; E772-L774 VanDerWaalsContact C-N 3.3Å; E772-L774 PolarHBondContact O-N 3.38Å; L774-N776 PolarHBondContact O-N 2.94Å; L774-T777 WeakPolarHBondContact O-CB 3.28Å; L774-T777 PolarHBondContact O-N 2.83Å; L774-T777 VanDerWaalsContact O-N 3.1Å; L774-T777 PolarHBondContact O-OG1 2.84Å
775F92.3Very high90.5Very high14 Ų1462.1 Ų62.16%0.06133%0.329CS..Hα-helixtrans-57.9-36.6174.9-176.6-99.4000111.8K765 L768 V770 E771 E772 T777 L778 K783 L786 W787K765-F775 HydrophobicContact CD-CD1 4.44Å; K765-F775 HydrophobicContact CD-CD2 3.92Å; K765-F775 HydrophobicContact CD-CE1 3.93Å; K765-F775 HydrophobicContact CD-CE2 3.34Å; K765-F775 HydrophobicContact CD-CG 4.44Å; K765-F775 HydrophobicContact CD-CZ 3.36Å; L768-F775 HydrophobicContact CD2-CD2 3.89Å; L768-F775 HydrophobicContact CD2-CE2 4.02Å; V770-F775 HydrophobicContact CG1-CB 3.97Å; V770-F775 HydrophobicContact CG1-CD2 4.38Å; E771-F775 PolarHBondContact O-N 3.37Å; E772-F775 WeakPolarHBondContact O-CB 3.24Å; E772-F775 PolarHBondContact O-N 3.26Å; F775-T777 PolarHBondContact O-N 2.8Å; F775-L778 HydrophobicContact CD2-CD1 4.14Å; F775-L778 HydrophobicContact CE2-CD1 4.15Å; F775-L778 WeakPolarHBondContact O-CB 3.25Å; F775-L778 PolarHBondContact O-N 2.83Å; F775-K783 HydrophobicContact CD1-CD 4.21Å; F775-K783 HydrophobicContact CE1-CB 4.26Å; F775-K783 HydrophobicContact CE1-CD 3.78Å; F775-K783 HydrophobicContact CE1-CG 3.78Å; F775-K783 HydrophobicContact CZ-CB 4.11Å; F775-K783 HydrophobicContact CZ-CD 4.28Å; F775-K783 HydrophobicContact CZ-CG 3.75Å; F775-L786 HydrophobicContact CE2-CD1 3.86Å; F775-L786 HydrophobicContact CZ-CD1 4.44Å; F775-W787 AromaticContact CE1-NE1 3.98Å
776N90.9Very high90.3Very high95 Ų9559.7 Ų59.751%0.50832%0.319SS..Hα-helixtrans-66.2-22.4179.5-72.4-34.3000113.8E772 D773 L774 L778 K783E772-N776 VanDerWaalsContact O-CG 3.26Å; E772-N776 PolarHBondContact O-N 2.97Å; E772-N776 PolarHBondContact O-ND2 2.88Å; E772-N776 VanDerWaalsContact O-ND2 3.15Å; D773-N776 WeakPolarHBondContact O-CB 3.19Å; D773-N776 PolarHBondContact O-N 3.28Å; L774-N776 PolarHBondContact O-N 2.94Å; N776-L778 PolarHBondContact O-N 2.96Å; N776-K783 PolarHBondContact O-NZ 3.2Å
777T92.2Very high90Very high63 Ų6362.3 Ų62.339%0.38732%0.315SS..THydrogen-bonded Turntrans-67.2-19.217669.70000113.7C752 L753 L774 F775C752-T777 HydrophobicContact CB-CG2 4.46Å; L753-T777 PolarHBondContact N-OG1 3.15Å; L753-T777 VanDerWaalsContact N-OG1 3.15Å; L774-T777 WeakPolarHBondContact O-CB 3.28Å; L774-T777 PolarHBondContact O-N 2.83Å; L774-T777 VanDerWaalsContact O-N 3.1Å; L774-T777 PolarHBondContact O-OG1 2.84Å; F775-T777 PolarHBondContact O-N 2.8Å
778L91.2Very high89.3Confident3 Ų369.5 Ų69.52%0.01634%0.34CS..SBendtrans-69.2146176.6-71.2169.8000111.7L753 P754 L757 L768 F775 N776 V782 K783 L786L753-L778 HydrophobicContact CB-CD1 4.47Å; L753-L778 HydrophobicContact CB-CD2 3.72Å; L753-L778 HydrophobicContact CB-CG 3.91Å; L753-L778 HydrophobicContact CD1-CD1 3.97Å; L753-L778 HydrophobicContact CD1-CG 4.13Å; P754-L778 WeakPolarHBondContact O-CD2 3.37Å; L757-L778 HydrophobicContact CD1-CD2 4.45Å; L768-L778 HydrophobicContact CD2-CD1 4.35Å; F775-L778 HydrophobicContact CD2-CD1 4.14Å; F775-L778 HydrophobicContact CE2-CD1 4.15Å; F775-L778 WeakPolarHBondContact O-CB 3.25Å; F775-L778 PolarHBondContact O-N 2.83Å; N776-L778 PolarHBondContact O-N 2.96Å; L778-V782 HydrophobicContact CD1-CG1 4.36Å; L778-V782 HydrophobicContact CD2-CG1 4.38Å; L778-K783 HydrophobicContact CB-CD 4.34Å; L778-K783 HydrophobicContact CB-CG 3.88Å; L778-K783 WeakPolarHBondContact O-CE 3.45Å; L778-K783 PolarHBondContact O-NZ 2.95Å; L778-K783 VanDerWaalsContact O-NZ 3.12Å; L778-L786 HydrophobicContact CD1-CD1 4.23Å
779P91.6Very high88.1Confident46 Ų4670.2 Ų70.230%0.29935%0.346SS..  trans-55.3149.3172.2-2433000112.2V755 E781 V782 K783V755-P779 HydrophobicContact CB-CG 4.22Å; V755-P779 HydrophobicContact CG1-CG 3.55Å; P779-E781 VanDerWaalsContact C-N 3.26Å; P779-E781 PolarHBondContact O-N 3.32Å; P779-V782 HydrophobicContact CB-CG2 4.36Å; P779-V782 HydrophobicContact CG-CG2 4.39Å; P779-V782 PolarHBondContact O-N 3.09Å; P779-K783 PolarHBondContact O-N 3.37Å
780T88.5Confident86.8Confident98 Ų9869.7 Ų69.760%0.60134%0.341SS*.Hα-helixtrans-57.4-37.9-179.343.30000112.8V782 K783 E784T780-V782 PolarHBondContact O-N 3.26Å; T780-K783 PolarHBondContact O-N 3.35Å; T780-E784 PolarHBondContact O-N 2.95Å
781E87.8Confident85.2Confident155 Ų15576.6 Ų76.672%0.72437%0.37SS*.Hα-helixtrans-59.8-45.3177.4-65.7147-167.900112.1P779 E784 H785P779-E781 VanDerWaalsContact C-N 3.26Å; P779-E781 PolarHBondContact O-N 3.32Å; E781-E784 PolarHBondContact O-N 2.71Å; E781-H785 PolarHBondContact O-N 2.82Å; E781-H785 VanDerWaalsContact O-N 3.07Å
782V87.4Confident83.5Confident18 Ų1882 Ų8211%0.10940%0.396CS..Hα-helixtrans-68.5-42178.8178.10000110.6L778 P779 T780 H785 L786L778-V782 HydrophobicContact CD1-CG1 4.36Å; L778-V782 HydrophobicContact CD2-CG1 4.38Å; P779-V782 HydrophobicContact CB-CG2 4.36Å; P779-V782 HydrophobicContact CG-CG2 4.39Å; P779-V782 PolarHBondContact O-N 3.09Å; T780-V782 PolarHBondContact O-N 3.26Å; V782-H785 PolarHBondContact O-N 3.01Å; V782-L786 HydrophobicContact CG1-CD1 4.13Å; V782-L786 WeakPolarHBondContact O-CG 3.37Å; V782-L786 PolarHBondContact O-N 2.93Å
783K89.1Confident81.4Confident44 Ų4481.7 Ų81.719%0.19139%0.394CS..Hα-helixtrans-61.2-46176.5-69.1-174.3-67.2-155.30111.4F775 N776 L778 P779 T780 H785 L786 W787F775-K783 HydrophobicContact CD1-CD 4.21Å; F775-K783 HydrophobicContact CE1-CB 4.26Å; F775-K783 HydrophobicContact CE1-CD 3.78Å; F775-K783 HydrophobicContact CE1-CG 3.78Å; F775-K783 HydrophobicContact CZ-CB 4.11Å; F775-K783 HydrophobicContact CZ-CD 4.28Å; F775-K783 HydrophobicContact CZ-CG 3.75Å; N776-K783 PolarHBondContact O-NZ 3.2Å; L778-K783 HydrophobicContact CB-CD 4.34Å; L778-K783 HydrophobicContact CB-CG 3.88Å; L778-K783 WeakPolarHBondContact O-CE 3.45Å; L778-K783 PolarHBondContact O-NZ 2.95Å; L778-K783 VanDerWaalsContact O-NZ 3.12Å; P779-K783 PolarHBondContact O-N 3.37Å; T780-K783 PolarHBondContact O-N 3.35Å; K783-H785 PolarHBondContact O-N 3.16Å; K783-L786 PolarHBondContact O-N 3.47Å; K783-W787 VanDerWaalsContact O-CD1 3.25Å; K783-W787 PolarHBondContact O-N 2.8Å; K783-W787 VanDerWaalsContact O-N 3.07Å
784E85.2Confident78.8Confident108 Ų10884.7 Ų84.751%0.50542%0.417SS..Hα-helixtrans-61.7-42.1176.6-79.6-151.7-176.600112.5T780 E781 L786 W787 R788T780-E784 PolarHBondContact O-N 2.95Å; E781-E784 PolarHBondContact O-N 2.71Å; E784-L786 PolarHBondContact O-N 3.28Å; E784-W787 PolarHBondContact O-N 3.37Å; E784-R788 WeakPolarHBondContact O-CB 3.44Å; E784-R788 WeakPolarHBondContact O-CG 3.28Å; E784-R788 PolarHBondContact O-N 1.98Å; E784-R788 IonicContact OE2-CZ 3.08Å; E784-R788 IonicContact OE2-NE 3.65Å; E784-R788 IonicContact OE2-NH2 3.2Å; E784-R788 PolarHBondContact OE2-NH2 3Å
785H84.6Confident78.2Confident80 Ų8088.2 Ų88.237%0.3743%0.433SS..Hα-helixtrans-58.5-48.7176.5179.4-89.2000111.7E781 V782 K783 W787 R788 A789E781-H785 PolarHBondContact O-N 2.82Å; E781-H785 VanDerWaalsContact O-N 3.07Å; V782-H785 PolarHBondContact O-N 3.01Å; K783-H785 PolarHBondContact O-N 3.16Å; H785-W787 VanDerWaalsContact C-N 3.29Å; H785-W787 PolarHBondContact O-N 3.42Å; H785-R788 PolarHBondContact O-N 3Å; H785-A789 WeakPolarHBondContact O-CB 2.93Å; H785-A789 PolarHBondContact O-N 3.27Å; H785-A789 VanDerWaalsContact O-N 3.09Å
786L84.4Confident77.4Confident0 Ų092.1 Ų92.10%045%0.453CS..Hα-helixtrans-62-34.3178.7-68.9172.2000112.8L763 K765 L768 F775 L778 V782 K783 E784L763-L786 HydrophobicContact CB-CD2 4.36Å; L763-L786 HydrophobicContact CD2-CD2 4.49Å; L763-L786 HydrophobicContact CG-CD2 4.18Å; L763-L786 WeakPolarHBondContact O-CD2 3.26Å; K765-L786 HydrophobicContact CB-CB 4.28Å; K765-L786 PolarHBondContact N-O 2.86Å; L768-L786 HydrophobicContact CD2-CD1 4.02Å; F775-L786 HydrophobicContact CE2-CD1 3.86Å; F775-L786 HydrophobicContact CZ-CD1 4.44Å; L778-L786 HydrophobicContact CD1-CD1 4.23Å; V782-L786 HydrophobicContact CG1-CD1 4.13Å; V782-L786 WeakPolarHBondContact O-CG 3.37Å; V782-L786 PolarHBondContact O-N 2.93Å; K783-L786 PolarHBondContact O-N 3.47Å; E784-L786 PolarHBondContact O-N 3.28Å
787W82.9Confident76.7Confident141 Ų14191.9 Ų91.953%0.53445%0.45SS..Hα-helixtrans-78.3-37.5176.8-88.798.5000113.6K765 F775 K783 E784 H785 D790K765-W787 HydrophobicContact CG-CD2 4.44Å; K765-W787 HydrophobicContact CG-CZ2 4.39Å; F775-W787 AromaticContact CE1-NE1 3.98Å; K783-W787 VanDerWaalsContact O-CD1 3.25Å; K783-W787 PolarHBondContact O-N 2.8Å; K783-W787 VanDerWaalsContact O-N 3.07Å; E784-W787 PolarHBondContact O-N 3.37Å; H785-W787 VanDerWaalsContact C-N 3.29Å; H785-W787 PolarHBondContact O-N 3.42Å; W787-D790 PolarHBondContact O-N 3.44Å
788R75.3Confident75.7Confident158 Ų15893.6 Ų93.660%0.59645%0.454SS*.Hα-helixtrans-65.6-41.1176.7-76.3-175.4-164.9-170.77.4111.3E784 H785 D790 K791 E792E784-R788 WeakPolarHBondContact O-CB 3.44Å; E784-R788 WeakPolarHBondContact O-CG 3.28Å; E784-R788 PolarHBondContact O-N 1.98Å; E784-R788 IonicContact OE2-CZ 3.08Å; E784-R788 IonicContact OE2-NE 3.65Å; E784-R788 IonicContact OE2-NH2 3.2Å; E784-R788 PolarHBondContact OE2-NH2 3Å; H785-R788 PolarHBondContact O-N 3Å; R788-D790 PolarHBondContact O-N 3.05Å; R788-D790 VanDerWaalsContact O-N 3.16Å; R788-K791 PolarHBondContact O-N 3.13Å; R788-E792 PolarHBondContact O-N 2.98Å
789A69Low74.8Confident16 Ų1699.3 Ų99.313%0.13248%0.481CS..Hα-helixtrans-60.3-24.9177.800000113.5K764 H785K764-A789 HydrophobicContact CB-CB 4.45Å; K764-A789 HydrophobicContact CD-CB 4.32Å; K764-A789 WeakPolarHBondContact CD-O 3.3Å; K764-A789 WeakPolarHBondContact CE-O 3.47Å; K764-A789 HydrophobicContact CG-CB 3.9Å; K764-A789 PolarHBondContact NZ-O 2.97Å; H785-A789 WeakPolarHBondContact O-CB 2.93Å; H785-A789 PolarHBondContact O-N 3.27Å; H785-A789 VanDerWaalsContact O-N 3.09Å
790D67.6Low73.7Confident42 Ų42102.8 Ų102.823%0.22549%0.493CS..Hα-helixtrans-77.5-27.7173.9-86.4-28000113.5K764 K765 S766 W787 R788K764-D790 WeakPolarHBondContact CB-OD1 2.88Å; K764-D790 WeakPolarHBondContact CD-OD1 3.39Å; K765-D790 WeakPolarHBondContact CA-OD2 3.26Å; K765-D790 VanDerWaalsContact CB-OD2 3.26Å; K765-D790 WeakPolarHBondContact CB-OD2 3.21Å; K765-D790 PolarHBondContact N-OD2 3.43Å; S766-D790 WeakPolarHBondContact CB-OD1 3.47Å; S766-D790 PolarHBondContact N-OD2 3.45Å; S766-D790 PolarHBondContact OG-OD1 2.84Å; W787-D790 PolarHBondContact O-N 3.44Å; R788-D790 PolarHBondContact O-N 3.05Å; R788-D790 VanDerWaalsContact O-N 3.16Å
791K61.2Low72.6Confident163 Ų163103.1 Ų103.171%0.70949%0.485SS*.Hα-helixtrans-83.5-22.2-177.2-71.7-175.6176.7179.20114.2R788 Q793R788-K791 PolarHBondContact O-N 3.13Å; K791-Q793 PolarHBondContact O-N 2.93Å; K791-Q793 VanDerWaalsContact O-N 3.15Å
792E58Low71.4Confident168 Ų16899.2 Ų99.279%0.78547%0.467SS*.THydrogen-bonded Turntrans-76.610.4-178.9-69.8-177.6166.600114.5R788R788-E792 PolarHBondContact O-N 2.98Å
793Q45.5Very low70.1Confident153 Ų153105.9 Ų105.972%0.71550%0.497SS*.THydrogen-bonded Turntrans-12610.8-176.2-115.9178.3-2.400115.1K764 K791K764-Q793 VanDerWaalsContact NZ-CD 3.33Å; K791-Q793 PolarHBondContact O-N 2.93Å; K791-Q793 VanDerWaalsContact O-N 3.15Å
794V38.5Very low68.4Low198 Ų198111.5 Ų111.5100%1.253%0.525SS*.  trans-89.60169.1-178.10000110.3

Retrieved 794 of 794 residues in 1612.4 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).