A0A5K4F0L1_SCHMA Loading...

Mannosyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F0L1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 574 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55Low84.1Confident139 Ų13970.8 Ų70.869%0.68537%0.365SS*.  0126.20-81.2170.173.100109.7L5 R6 V9M1-L5 HydrophobicContact CB-CB 4.34Å; M1-L5 HydrophobicContact CE-CB 3.68Å; M1-L5 WeakPolarHBondContact CE-O 3.29Å; M1-L5 HydrophobicContact CG-CB 4.33Å; M1-R6 HydrophobicContact CE-CB 4.42Å; M1-R6 HydrophobicContact CE-CG 4.12Å; M1-V9 HydrophobicContact CE-CB 3.87Å; M1-V9 HydrophobicContact CE-CG2 3.22Å; M1-V9 HydrophobicContact SD-CG2 4.02Å
2T70.6Confident85.2Confident69 Ų6972.4 Ų72.442%0.42337%0.373SS..  trans-55.3153.7163.952.50000109.7H4 L5T2-H4 WeakPolarHBondContact CB-CE1 3.19Å; T2-H4 PolarHBondContact O-N 3.44Å; T2-H4 VanDerWaalsContact O-N 3.15Å; T2-H4 PolarHBondContact OG1-CD2 3.11Å; T2-H4 PolarHBondContact OG1-CE1 3.23Å; T2-H4 PolarHBondContact OG1-ND1 3.09Å; T2-H4 PolarHBondContact OG1-NE2 3.27Å; T2-L5 PolarHBondContact O-N 2.86Å; T2-L5 VanDerWaalsContact O-N 3.17Å; T2-L5 WeakPolarHBondContact OG1-CD1 3.5Å; T2-L5 VanDerWaalsContact OG1-CG 3.26Å; T2-L5 WeakPolarHBondContact OG1-CG 3.08Å
3S73Confident86.1Confident78 Ų7875.5 Ų75.555%0.54539%0.389SS..THydrogen-bonded Turntrans-59.1-27.7-178.352.20000113.6
4H80Confident86.9Confident45 Ų4572.6 Ų72.621%0.20838%0.375CS..THydrogen-bonded Turntrans-73.2-32.2179.863-105.6000112.9T2 R6 S150T2-H4 WeakPolarHBondContact CB-CE1 3.19Å; T2-H4 PolarHBondContact O-N 3.44Å; T2-H4 VanDerWaalsContact O-N 3.15Å; T2-H4 PolarHBondContact OG1-CD2 3.11Å; T2-H4 PolarHBondContact OG1-CE1 3.23Å; T2-H4 PolarHBondContact OG1-ND1 3.09Å; T2-H4 PolarHBondContact OG1-NE2 3.27Å; H4-R6 VanDerWaalsContact C-N 3.26Å; H4-R6 PolarHBondContact O-N 3.44Å; H4-S150 WeakPolarHBondContact CA-OG 3.24Å; H4-S150 WeakPolarHBondContact CB-OG 3.07Å
5L85.2Confident87.6Confident64 Ų6469.9 Ų69.934%0.33536%0.361SS..Hα-helixtrans-69.8-22.3179.5-70.9173.3000112.9M1 T2 G7 W8 V9M1-L5 HydrophobicContact CB-CB 4.34Å; M1-L5 HydrophobicContact CE-CB 3.68Å; M1-L5 WeakPolarHBondContact CE-O 3.29Å; M1-L5 HydrophobicContact CG-CB 4.33Å; T2-L5 PolarHBondContact O-N 2.86Å; T2-L5 VanDerWaalsContact O-N 3.17Å; T2-L5 WeakPolarHBondContact OG1-CD1 3.5Å; T2-L5 VanDerWaalsContact OG1-CG 3.26Å; T2-L5 WeakPolarHBondContact OG1-CG 3.08Å; L5-G7 VanDerWaalsContact C-N 3.31Å; L5-G7 PolarHBondContact O-N 3.24Å; L5-W8 PolarHBondContact O-N 3.18Å; L5-V9 PolarHBondContact O-N 2.64Å
6R88.1Confident88.2Confident171 Ų17169.6 Ų69.665%0.64537%0.366SS*.Hα-helixtrans-60.3-41.4-178.8-68.8-175.4179.6-178.6-1.4112.1M1 H4 V9 I10M1-R6 HydrophobicContact CE-CB 4.42Å; M1-R6 HydrophobicContact CE-CG 4.12Å; H4-R6 VanDerWaalsContact C-N 3.26Å; H4-R6 PolarHBondContact O-N 3.44Å; R6-V9 PolarHBondContact O-N 2.74Å; R6-I10 WeakPolarHBondContact O-CG1 3.46Å; R6-I10 PolarHBondContact O-N 3.43Å; R6-I10 VanDerWaalsContact O-N 3.14Å
7G91.4Very high88.6Confident15 Ų1569.9 Ų69.916%0.15537%0.367CS..Hα-helixtrans-65.3-40.7177.300000112.4L5 V9 I10 Y11 V151L5-G7 VanDerWaalsContact C-N 3.31Å; L5-G7 PolarHBondContact O-N 3.24Å; G7-V9 VanDerWaalsContact C-N 3.33Å; G7-V9 PolarHBondContact O-N 2.9Å; G7-I10 PolarHBondContact O-N 3.06Å; G7-Y11 PolarHBondContact O-N 2.98Å; G7-V151 VanDerWaalsContact CA-CG1 3.47Å
8W94.9Very high89Confident19 Ų1966.1 Ų66.17%0.07235%0.347CS..Hα-helixtrans-62.6-38.8175.7-75.1113.7000112.5L5 Y11 I12 L121 V146 H149 V151 L155L5-W8 PolarHBondContact O-N 3.18Å; W8-Y11 AromaticContact CE3-CD1 3.86Å; W8-Y11 HydrophobicContact CE3-CD1 3.86Å; W8-Y11 HydrophobicContact CE3-CE1 4.45Å; W8-Y11 AromaticContact CZ3-CD1 3.94Å; W8-Y11 HydrophobicContact CZ3-CD1 3.94Å; W8-Y11 HydrophobicContact CZ3-CE1 4.12Å; W8-Y11 PolarHBondContact O-N 2.91Å; W8-I12 VanDerWaalsContact O-CG1 3.28Å; W8-I12 WeakPolarHBondContact O-CG1 3.38Å; W8-I12 PolarHBondContact O-N 2.93Å; W8-L121 HydrophobicContact CH2-CD1 4.1Å; W8-L121 HydrophobicContact CH2-CD2 4.36Å; W8-V146 HydrophobicContact CD2-CG1 4.49Å; W8-V146 HydrophobicContact CH2-CG2 3.72Å; W8-V146 HydrophobicContact CZ2-CB 4.26Å; W8-V146 HydrophobicContact CZ2-CG2 3.75Å; W8-V146 HydrophobicContact CZ3-CG2 4.2Å; W8-H149 PolarHBondContact NE1-O 3.07Å; W8-V151 HydrophobicContact CD2-CB 3.93Å; W8-V151 HydrophobicContact CD2-CG2 4.15Å; W8-V151 HydrophobicContact CE3-CB 4.25Å; W8-V151 HydrophobicContact CE3-CG2 3.95Å; W8-V151 HydrophobicContact CG-CB 4.22Å; W8-V151 HydrophobicContact CH2-CG2 4.29Å; W8-V151 HydrophobicContact CZ2-CB 4.45Å; W8-V151 HydrophobicContact CZ2-CG2 4.48Å; W8-V151 HydrophobicContact CZ3-CG2 4.02Å; W8-L155 HydrophobicContact CH2-CD1 4.18Å; W8-L155 HydrophobicContact CZ3-CD1 4.14Å
9V95Very high89.3Confident63 Ų6366.2 Ų66.238%0.38235%0.345SS..Hα-helixtrans-63.5-44.5174.1168.40000111.7M1 L5 R6 G7 Y11 I12 L13M1-V9 HydrophobicContact CE-CB 3.87Å; M1-V9 HydrophobicContact CE-CG2 3.22Å; M1-V9 HydrophobicContact SD-CG2 4.02Å; L5-V9 PolarHBondContact O-N 2.64Å; R6-V9 PolarHBondContact O-N 2.74Å; G7-V9 VanDerWaalsContact C-N 3.33Å; G7-V9 PolarHBondContact O-N 2.9Å; V9-Y11 VanDerWaalsContact C-N 3.31Å; V9-Y11 PolarHBondContact O-N 3.38Å; V9-I12 PolarHBondContact O-N 3.13Å; V9-L13 HydrophobicContact CG1-CD1 4.08Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.26Å; V9-L13 PolarHBondContact O-N 2.99Å
10I95.2Very high89.5Confident91 Ų9168.1 Ų68.147%0.46736%0.355SS..Hα-helixtrans-59-45.7175.7-66.1167.7000110.5R6 G7 L13 L14 L156R6-I10 WeakPolarHBondContact O-CG1 3.46Å; R6-I10 PolarHBondContact O-N 3.43Å; R6-I10 VanDerWaalsContact O-N 3.14Å; G7-I10 PolarHBondContact O-N 3.06Å; I10-L13 PolarHBondContact O-N 3.23Å; I10-L14 HydrophobicContact CG2-CD1 4.2Å; I10-L14 WeakPolarHBondContact O-CG 3.22Å; I10-L14 PolarHBondContact O-N 3.39Å; I10-L156 HydrophobicContact CB-CD2 4.41Å; I10-L156 HydrophobicContact CG2-CD2 3.99Å
11Y97.2Very high89.6Confident25 Ų2565.7 Ų65.710%0.09834%0.342CS..Hα-helixtrans-60.1-46.6177.3171.4-108.4000112.3G7 W8 V9 L13 L14 L15 D117 V151 L155 A159G7-Y11 PolarHBondContact O-N 2.98Å; W8-Y11 AromaticContact CE3-CD1 3.86Å; W8-Y11 HydrophobicContact CE3-CD1 3.86Å; W8-Y11 HydrophobicContact CE3-CE1 4.45Å; W8-Y11 AromaticContact CZ3-CD1 3.94Å; W8-Y11 HydrophobicContact CZ3-CD1 3.94Å; W8-Y11 HydrophobicContact CZ3-CE1 4.12Å; W8-Y11 PolarHBondContact O-N 2.91Å; V9-Y11 VanDerWaalsContact C-N 3.31Å; V9-Y11 PolarHBondContact O-N 3.38Å; Y11-L13 VanDerWaalsContact C-N 3.32Å; Y11-L13 PolarHBondContact O-N 3.05Å; Y11-L14 WeakPolarHBondContact O-CB 3.05Å; Y11-L14 PolarHBondContact O-N 3.21Å; Y11-L14 VanDerWaalsContact O-N 3.13Å; Y11-L15 HydrophobicContact CD1-CD1 4.23Å; Y11-L15 HydrophobicContact CE1-CD1 3.55Å; Y11-L15 HydrophobicContact CE1-CG 4.13Å; Y11-L15 HydrophobicContact CE2-CD1 4.31Å; Y11-L15 HydrophobicContact CE2-CD2 3.92Å; Y11-L15 HydrophobicContact CE2-CG 4.07Å; Y11-L15 WeakPolarHBondContact O-CG 3.49Å; Y11-L15 PolarHBondContact O-N 3.39Å; Y11-D117 WeakPolarHBondContact OH-CB 3.47Å; Y11-V151 HydrophobicContact CG-CG2 4.28Å; Y11-L155 HydrophobicContact CD2-CB 4.1Å; Y11-L155 HydrophobicContact CE1-CD1 4.42Å; Y11-L155 HydrophobicContact CE2-CB 4.06Å; Y11-L155 HydrophobicContact CE2-CD1 4.24Å; Y11-L155 HydrophobicContact CE2-CD2 4.31Å; Y11-L155 HydrophobicContact CE2-CG 4.46Å; Y11-A159 HydrophobicContact CD2-CB 4.04Å; Y11-A159 HydrophobicContact CE2-CB 4.17Å
12I96.9Very high91.3Very high90 Ų9059.1 Ų59.146%0.46231%0.309SS..Hα-helixtrans-60.6-42.2176.4-69.1165.7000111W8 V9 L14 L15 C16W8-I12 VanDerWaalsContact O-CG1 3.28Å; W8-I12 WeakPolarHBondContact O-CG1 3.38Å; W8-I12 PolarHBondContact O-N 2.93Å; V9-I12 PolarHBondContact O-N 3.13Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.36Å; I12-L15 PolarHBondContact O-N 3.07Å; I12-C16 PolarHBondContact O-N 3.28Å; I12-C16 PolarHBondContact O-SG 2.79Å; I12-C16 VanDerWaalsContact O-SG 3.33Å
13L97.3Very high92.1Very high112 Ų11261.4 Ų61.459%0.58631%0.314SS*.Hα-helixtrans-60.7-39.2175.8-70.7172.1000112V9 I10 Y11 C16 L17V9-L13 HydrophobicContact CG1-CD1 4.08Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.26Å; V9-L13 PolarHBondContact O-N 2.99Å; I10-L13 PolarHBondContact O-N 3.23Å; Y11-L13 VanDerWaalsContact C-N 3.32Å; Y11-L13 PolarHBondContact O-N 3.05Å; L13-C16 PolarHBondContact O-N 3.3Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 PolarHBondContact O-N 3.41Å
14L97.5Very high92.6Very high35 Ų3561.8 Ų61.818%0.18331%0.309CS..Hα-helixtrans-66.9-38.8175.1-68.8169.6000112.1I10 Y11 I12 L17 R18 L156 A159I10-L14 HydrophobicContact CG2-CD1 4.2Å; I10-L14 WeakPolarHBondContact O-CG 3.22Å; I10-L14 PolarHBondContact O-N 3.39Å; Y11-L14 WeakPolarHBondContact O-CB 3.05Å; Y11-L14 PolarHBondContact O-N 3.21Å; Y11-L14 VanDerWaalsContact O-N 3.13Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.36Å; L14-L17 PolarHBondContact O-N 3.5Å; L14-R18 WeakPolarHBondContact O-CB 3.41Å; L14-R18 PolarHBondContact O-N 3.49Å; L14-L156 HydrophobicContact CD1-CD2 4.43Å; L14-A159 HydrophobicContact CB-CB 3.99Å; L14-A159 HydrophobicContact CD1-CB 3.91Å
15L97.5Very high92.5Very high32 Ų3260.2 Ų60.217%0.16830%0.303CS..Hα-helixtrans-64.3-43.8173.2-64.9-176.2000111.7Y11 I12 L17 R18 F19 Y114Y11-L15 HydrophobicContact CD1-CD1 4.23Å; Y11-L15 HydrophobicContact CE1-CD1 3.55Å; Y11-L15 HydrophobicContact CE1-CG 4.13Å; Y11-L15 HydrophobicContact CE2-CD1 4.31Å; Y11-L15 HydrophobicContact CE2-CD2 3.92Å; Y11-L15 HydrophobicContact CE2-CG 4.07Å; Y11-L15 WeakPolarHBondContact O-CG 3.49Å; Y11-L15 PolarHBondContact O-N 3.39Å; I12-L15 PolarHBondContact O-N 3.07Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.29Å; L15-R18 WeakPolarHBondContact O-CB 3.47Å; L15-R18 PolarHBondContact O-N 3.19Å; L15-F19 PolarHBondContact O-N 3.08Å; L15-Y114 HydrophobicContact CB-CE1 4.35Å; L15-Y114 HydrophobicContact CD2-CD1 3.9Å; L15-Y114 HydrophobicContact CD2-CE1 3.75Å; L15-Y114 PolarHBondContact O-OH 2.91Å
16C96.3Very high92.5Very high65 Ų6557.3 Ų57.344%0.43929%0.287SS..Hα-helixtrans-60.6-44.3175.2-70.40000111.1I12 L13 R18 F19 L20I12-C16 PolarHBondContact O-N 3.28Å; I12-C16 PolarHBondContact O-SG 2.79Å; I12-C16 VanDerWaalsContact O-SG 3.33Å; L13-C16 PolarHBondContact O-N 3.3Å; C16-R18 PolarHBondContact O-N 3.14Å; C16-F19 PolarHBondContact O-N 3.38Å; C16-L20 WeakPolarHBondContact O-CB 3.33Å; C16-L20 VanDerWaalsContact O-CG 3.25Å; C16-L20 WeakPolarHBondContact O-CG 3.34Å; C16-L20 PolarHBondContact O-N 3.28Å
17L94.7Very high92.3Very high75 Ų7550 Ų5039%0.39326%0.262SS..Hα-helixtrans-59.8-46.4175.6-177.164.3000111.6L13 L14 L15 F19 L20 F21L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 3.5Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.29Å; L17-F19 VanDerWaalsContact C-N 3.29Å; L17-F19 PolarHBondContact O-N 2.83Å; L17-L20 PolarHBondContact O-N 3.36Å; L17-F21 HydrophobicContact CD1-CD1 4.15Å; L17-F21 HydrophobicContact CD1-CE1 3.55Å; L17-F21 HydrophobicContact CD1-CZ 3.93Å; L17-F21 HydrophobicContact CD2-CZ 4.31Å; L17-F21 HydrophobicContact CG-CD1 4.48Å; L17-F21 HydrophobicContact CG-CE1 4Å; L17-F21 HydrophobicContact CG-CE2 4.45Å; L17-F21 HydrophobicContact CG-CZ 3.98Å; L17-F21 WeakPolarHBondContact O-CD1 3.44Å; L17-F21 WeakPolarHBondContact O-CG 3.4Å; L17-F21 PolarHBondContact O-N 3.41Å
18R96Very high92Very high1 Ų149.3 Ų49.30%0.00426%0.256CS..Hα-helixtrans-56.8-41.5174.7-175.6-166.9-54.4-179.87.3112.1L14 L15 C16 F21 V110 S113 D117 G165 S169 T170L14-R18 WeakPolarHBondContact O-CB 3.41Å; L14-R18 PolarHBondContact O-N 3.49Å; L15-R18 WeakPolarHBondContact O-CB 3.47Å; L15-R18 PolarHBondContact O-N 3.19Å; C16-R18 PolarHBondContact O-N 3.14Å; R18-F21 WeakPolarHBondContact O-CB 3.48Å; R18-V110 HydrophobicContact CG-CG1 4.21Å; R18-V110 HydrophobicContact CG-CG2 4.49Å; R18-S113 VanDerWaalsContact CD-OG 3.27Å; R18-S113 WeakPolarHBondContact CD-OG 3.18Å; R18-S113 PolarHBondContact NH1-O 2.98Å; R18-S113 PolarHBondContact NH1-OG 3.32Å; R18-D117 IonicContact CZ-OD1 3.07Å; R18-D117 IonicContact CZ-OD2 3.91Å; R18-D117 IonicContact NH1-OD1 3.62Å; R18-D117 IonicContact NH1-OD2 3.36Å; R18-D117 PolarHBondContact NH1-OD2 3.37Å; R18-D117 IonicContact NH2-OD1 3.19Å; R18-D117 PolarHBondContact NH2-OD1 2.91Å; R18-D117 VanDerWaalsContact NH2-OD1 3.09Å; R18-D117 IonicContact NH2-OD2 2.93Å; R18-D117 PolarHBondContact NH2-OD2 3.33Å; R18-G165 WeakPolarHBondContact CD-O 3.33Å; R18-G165 WeakPolarHBondContact CG-O 3.38Å; R18-G165 PolarHBondContact NE-O 2.95Å; R18-S169 WeakPolarHBondContact CD-OG 3.33Å; R18-T170 HydrophobicContact CG-CG2 3.64Å; R18-T170 WeakPolarHBondContact O-CG2 3.48Å
19F95.5Very high91.3Very high69 Ų6949.7 Ų49.730%0.30326%0.257SS..Hα-helixtrans-68.7-43.8176.9-169.7-107.2000112.5L15 C16 L17 F21 V22 F23 L107 V110L15-F19 PolarHBondContact O-N 3.08Å; C16-F19 PolarHBondContact O-N 3.38Å; L17-F19 VanDerWaalsContact C-N 3.29Å; L17-F19 PolarHBondContact O-N 2.83Å; F19-F21 PolarHBondContact O-N 2.94Å; F19-V22 WeakPolarHBondContact O-CB 3.19Å; F19-V22 WeakPolarHBondContact O-CG2 3.48Å; F19-V22 PolarHBondContact O-N 3.2Å; F19-F23 AromaticContact CD1-CE2 3.92Å; F19-F23 HydrophobicContact CD1-CE2 3.92Å; F19-F23 AromaticContact CE1-CE2 3.5Å; F19-F23 HydrophobicContact CE1-CE2 3.5Å; F19-F23 HydrophobicContact CE1-CZ 4.03Å; F19-F23 AromaticContact CZ-CE2 3.98Å; F19-F23 HydrophobicContact CZ-CE2 3.98Å; F19-F23 HydrophobicContact CZ-CZ 4.24Å; F19-L107 HydrophobicContact CE2-CD1 3.79Å; F19-L107 HydrophobicContact CZ-CD1 4.3Å; F19-V110 HydrophobicContact CD2-CG1 4.13Å
20L93.4Very high90.5Very high103 Ų10346.8 Ų46.854%0.53924%0.24SC..Hα-helixtrans-61.7-29.1178-70.7172.4000112.4C16 L17 V22 F23 N24C16-L20 WeakPolarHBondContact O-CB 3.33Å; C16-L20 VanDerWaalsContact O-CG 3.25Å; C16-L20 WeakPolarHBondContact O-CG 3.34Å; C16-L20 PolarHBondContact O-N 3.28Å; L17-L20 PolarHBondContact O-N 3.36Å; L20-V22 PolarHBondContact O-N 2.63Å; L20-F23 PolarHBondContact O-N 2.94Å; L20-N24 PolarHBondContact O-N 3.45Å
21F91Very high89.9Confident19 Ų1943 Ų438%0.08322%0.22CC..Hα-helixtrans-64.9-13.8173.6-8614.4000114.7L17 R18 F19 N24 Q26 S166 T170L17-F21 HydrophobicContact CD1-CD1 4.15Å; L17-F21 HydrophobicContact CD1-CE1 3.55Å; L17-F21 HydrophobicContact CD1-CZ 3.93Å; L17-F21 HydrophobicContact CD2-CZ 4.31Å; L17-F21 HydrophobicContact CG-CD1 4.48Å; L17-F21 HydrophobicContact CG-CE1 4Å; L17-F21 HydrophobicContact CG-CE2 4.45Å; L17-F21 HydrophobicContact CG-CZ 3.98Å; L17-F21 WeakPolarHBondContact O-CD1 3.44Å; L17-F21 WeakPolarHBondContact O-CG 3.4Å; L17-F21 PolarHBondContact O-N 3.41Å; R18-F21 WeakPolarHBondContact O-CB 3.48Å; F19-F21 PolarHBondContact O-N 2.94Å; F21-N24 VanDerWaalsContact O-O 3.1Å; F21-Q26 VanDerWaalsContact CG-NE2 3.31Å; F21-Q26 PolarHBondContact O-NE2 2.92Å; F21-S166 WeakPolarHBondContact CD2-O 3.38Å; F21-S166 WeakPolarHBondContact CE2-O 3.38Å; F21-T170 HydrophobicContact CB-CG2 3.9Å
22V89.9Confident89.3Confident0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-71.3-39.4168.3-176.70000110.8F19 L20 F103 R106 L107 V110F19-V22 WeakPolarHBondContact O-CB 3.19Å; F19-V22 WeakPolarHBondContact O-CG2 3.48Å; F19-V22 PolarHBondContact O-N 3.2Å; L20-V22 PolarHBondContact O-N 2.63Å; V22-F103 HydrophobicContact CG1-CD2 3.75Å; V22-F103 HydrophobicContact CG1-CE2 3.66Å; V22-F103 HydrophobicContact CG1-CZ 4.46Å; V22-R106 HydrophobicContact CG1-CB 4.11Å; V22-L107 HydrophobicContact CG1-CB 4.19Å; V22-V110 HydrophobicContact CG2-CB 3.78Å; V22-V110 HydrophobicContact CG2-CG1 4.23Å; V22-V110 HydrophobicContact CG2-CG2 3.31Å
23F88.3Confident88.8Confident118 Ų11840.8 Ų40.852%0.51821%0.213SC..Hα-helixtrans-81.1-36.8180-58.3-86.3000111.9F19 L20 L25 F103F19-F23 AromaticContact CD1-CE2 3.92Å; F19-F23 HydrophobicContact CD1-CE2 3.92Å; F19-F23 AromaticContact CE1-CE2 3.5Å; F19-F23 HydrophobicContact CE1-CE2 3.5Å; F19-F23 HydrophobicContact CE1-CZ 4.03Å; F19-F23 AromaticContact CZ-CE2 3.98Å; F19-F23 HydrophobicContact CZ-CE2 3.98Å; F19-F23 HydrophobicContact CZ-CZ 4.24Å; L20-F23 PolarHBondContact O-N 2.94Å; F23-L25 PolarHBondContact O-N 3.23Å; F23-F103 AromaticContact CD1-CE2 3.66Å; F23-F103 HydrophobicContact CD1-CE2 3.66Å; F23-F103 HydrophobicContact CD1-CZ 4.21Å; F23-F103 AromaticContact CE1-CE2 3.6Å; F23-F103 HydrophobicContact CE1-CE2 3.6Å; F23-F103 AromaticContact CE1-CZ 3.68Å; F23-F103 HydrophobicContact CE1-CZ 3.68Å; F23-F103 HydrophobicContact CG-CE2 4.33Å; F23-F103 HydrophobicContact CZ-CE2 4.22Å; F23-F103 HydrophobicContact CZ-CZ 4.19Å
24N82.4Confident88.6Confident85 Ų8535.5 Ų35.546%0.45519%0.185SC..SBendtrans-86.581.7171.5-173.36.1000110L20 F21 Q26 Y430L20-N24 PolarHBondContact O-N 3.45Å; F21-N24 VanDerWaalsContact O-O 3.1Å; N24-Q26 PolarHBondContact O-N 3.22Å; N24-Q26 PolarHBondContact O-NE2 3.38Å; N24-Y430 PolarHBondContact ND2-OH 3.18Å
25L79.7Confident88.4Confident13 Ų1334 Ų347%0.06818%0.177CC..  trans-58.3103.2177.4-63.9177.2000110.4F23 S27 L98 L102 R106 F437F23-L25 PolarHBondContact O-N 3.23Å; L25-S27 PolarHBondContact O-N 2.83Å; L25-L98 HydrophobicContact CD1-CD1 4.1Å; L25-L98 HydrophobicContact CD1-CD2 3.42Å; L25-L98 VanDerWaalsContact CD1-CD2 3.42Å; L25-L98 HydrophobicContact CD1-CG 3.49Å; L25-L98 VanDerWaalsContact CD1-CG 3.49Å; L25-L102 HydrophobicContact CD2-CD2 4.36Å; L25-R106 VanDerWaalsContact CD2-NH1 3.33Å; L25-F437 HydrophobicContact CB-CE1 4.32Å
26Q83.9Confident88.2Confident2 Ų232.9 Ų32.91%0.00917%0.171CC..  trans-50.6124.8174.9-61.482.511.500108.9F21 N24 L167 G429F21-Q26 VanDerWaalsContact CG-NE2 3.31Å; F21-Q26 PolarHBondContact O-NE2 2.92Å; N24-Q26 PolarHBondContact O-N 3.22Å; N24-Q26 PolarHBondContact O-NE2 3.38Å; Q26-L167 HydrophobicContact CG-CD1 3.8Å; Q26-G429 WeakPolarHBondContact CB-O 3.25Å
27S84.8Confident88Confident17 Ų1730.2 Ų30.212%0.11915%0.152CC..  trans-79.2-25.2-178.848.20000112.3L25 G429 A434L25-S27 PolarHBondContact O-N 2.83Å; S27-G429 PolarHBondContact N-O 3.16Å; S27-A434 VanDerWaalsContact O-CA 3.28Å; S27-A434 WeakPolarHBondContact O-CA 3.34Å
28G85.5Confident88Confident2 Ų226.7 Ų26.72%0.02113%0.134CC..SBendtrans-83.3158.4-174.400000115.4R171 Y428 G429 H432G28-R171 PolarHBondContact O-NH1 3.2Å; G28-R171 PolarHBondContact O-NH2 2.96Å; G28-Y428 CarbonylContact C-O 3.59Å; G28-Y428 VanDerWaalsContact O-O 3.13Å; G28-G429 WeakPolarHBondContact CA-O 3.37Å; G28-G429 PolarHBondContact N-O 3.46Å; G28-H432 CarbonylContact C-O 3.59Å; G28-H432 VanDerWaalsContact CA-O 3.28Å; G28-H432 WeakPolarHBondContact CA-O 3.36Å
29Y79.5Confident88Confident27 Ų2726.6 Ų26.611%0.10613%0.133CC..  trans55.873.4173.9-166.3-112.5000112.8H31 W168 R171 Y428 H432Y29-H31 HydrophobicContact CD1-CB 4.15Å; Y29-H31 HydrophobicContact CE1-CB 3.88Å; Y29-H31 AromaticContact CE1-CD2 3.78Å; Y29-H31 AromaticContact CZ-CD2 3.75Å; Y29-H31 PolarHBondContact O-N 3Å; Y29-H31 PolarHBondContact OH-CD2 3Å; Y29-W168 HydrophobicContact CD1-CZ2 4.31Å; Y29-W168 AromaticContact CE1-CH2 3.82Å; Y29-W168 HydrophobicContact CE1-CH2 3.82Å; Y29-W168 AromaticContact CE1-CZ2 3.54Å; Y29-W168 HydrophobicContact CE1-CZ2 3.54Å; Y29-R171 PolarHBondContact O-NH1 3.43Å; Y29-Y428 WeakPolarHBondContact CB-O 3.49Å; Y29-Y428 AromaticContact CD1-CD1 3.96Å; Y29-Y428 HydrophobicContact CD1-CD1 3.96Å; Y29-Y428 AromaticContact CD2-CD1 3.44Å; Y29-Y428 HydrophobicContact CD2-CD1 3.44Å; Y29-Y428 VanDerWaalsContact CD2-CD1 3.44Å; Y29-Y428 AromaticContact CD2-CE1 3.82Å; Y29-Y428 HydrophobicContact CD2-CE1 3.82Å; Y29-Y428 HydrophobicContact CE1-CD1 4.1Å; Y29-Y428 HydrophobicContact CE1-CE1 4.38Å; Y29-Y428 AromaticContact CE2-CD1 3.65Å; Y29-Y428 HydrophobicContact CE2-CD1 3.65Å; Y29-Y428 AromaticContact CE2-CE1 3.54Å; Y29-Y428 HydrophobicContact CE2-CE1 3.54Å; Y29-Y428 AromaticContact CG-CD1 3.61Å; Y29-Y428 HydrophobicContact CG-CD1 3.61Å; Y29-Y428 HydrophobicContact CG-CE1 4.37Å; Y29-Y428 AromaticContact CZ-CD1 3.95Å; Y29-Y428 AromaticContact CZ-CE1 3.82Å; Y29-Y428 PolarHBondContact N-O 3.1Å; Y29-H432 AromaticContact CD2-ND1 3.43Å; Y29-H432 WeakPolarHBondContact CD2-ND1 3.38Å; Y29-H432 PolarHBondContact N-O 3.17Å
30L77.4Confident88.1Confident2 Ų223.3 Ų23.31%0.0112%0.119CC..  trans-76.764.6175.3-71.7126.5000111.3P32 Y35 Q433 L436 F437 Y459L30-P32 WeakPolarHBondContact O-CD 3.49Å; L30-Y35 HydrophobicContact CB-CE2 4.11Å; L30-Y35 HydrophobicContact CD2-CE2 3.67Å; L30-Y35 WeakPolarHBondContact CD2-OH 3.45Å; L30-Y35 HydrophobicContact CG-CE2 4.3Å; L30-Q433 WeakPolarHBondContact CD1-O 3.16Å; L30-L436 HydrophobicContact CB-CD2 4.46Å; L30-L436 HydrophobicContact CD1-CB 3.64Å; L30-L436 HydrophobicContact CD1-CD2 3.72Å; L30-L436 HydrophobicContact CD1-CG 3.98Å; L30-L436 HydrophobicContact CG-CD2 4.48Å; L30-F437 HydrophobicContact CD1-CB 3.99Å; L30-F437 HydrophobicContact CD2-CB 4.21Å; L30-F437 HydrophobicContact CD2-CD2 3.45Å; L30-F437 VanDerWaalsContact CD2-CD2 3.45Å; L30-F437 HydrophobicContact CD2-CE2 3.88Å; L30-F437 HydrophobicContact CD2-CG 4.09Å; L30-Y459 VanDerWaalsContact O-CD2 3.22Å; L30-Y459 WeakPolarHBondContact O-CD2 3.26Å
31H82.9Confident88.2Confident12 Ų1218.4 Ų18.46%0.0569%0.093CC..  trans-54.6127.9-178.6-168.2-60.7000109.4Y29 D33 E34 E375 R377Y29-H31 HydrophobicContact CD1-CB 4.15Å; Y29-H31 HydrophobicContact CE1-CB 3.88Å; Y29-H31 AromaticContact CE1-CD2 3.78Å; Y29-H31 AromaticContact CZ-CD2 3.75Å; Y29-H31 PolarHBondContact O-N 3Å; Y29-H31 PolarHBondContact OH-CD2 3Å; H31-D33 VanDerWaalsContact C-N 3.27Å; H31-D33 IonicContact CE1-OD1 3.48Å; H31-D33 PolarHBondContact CE1-OD1 2.85Å; H31-D33 WeakPolarHBondContact ND1-CB 3.33Å; H31-D33 PolarHBondContact ND1-N 3.08Å; H31-D33 IonicContact ND1-OD1 3.66Å; H31-D33 PolarHBondContact O-N 2.78Å; H31-E34 HydrophobicContact CB-CB 4.31Å; H31-E34 VanDerWaalsContact O-CB 3.29Å; H31-E34 WeakPolarHBondContact O-CB 3.49Å; H31-E34 PolarHBondContact O-N 2.88Å; H31-E375 IonicContact NE2-OE2 2.66Å; H31-R377 PolarHBondContact CE1-NH1 3.46Å; H31-R377 PolarHBondContact CE1-NH2 3.12Å; H31-R377 PolarHBondContact NE2-NE 3.18Å
32P86Confident88.5Confident43 Ų4317.5 Ų17.528%0.2799%0.089SC..Hα-helixtrans-49.2-48.6-179.3-31.336.2000112.7L30 E34 Y35 F36L30-P32 WeakPolarHBondContact O-CD 3.49Å; P32-E34 PolarHBondContact O-N 2.64Å; P32-Y35 PolarHBondContact O-N 3.35Å; P32-F36 HydrophobicContact CB-CD2 3.9Å; P32-F36 HydrophobicContact CB-CE2 4.38Å; P32-F36 WeakPolarHBondContact O-CD2 3.49Å; P32-F36 PolarHBondContact O-N 2.7Å
33D86.3Confident88.8Confident25 Ų2517.5 Ų17.513%0.1349%0.089CC..Hα-helixtrans-62.9-19.2177.6-57.833.9000115.4H31 Y35 Q37 R377H31-D33 VanDerWaalsContact C-N 3.27Å; H31-D33 IonicContact CE1-OD1 3.48Å; H31-D33 PolarHBondContact CE1-OD1 2.85Å; H31-D33 WeakPolarHBondContact ND1-CB 3.33Å; H31-D33 PolarHBondContact ND1-N 3.08Å; H31-D33 IonicContact ND1-OD1 3.66Å; H31-D33 PolarHBondContact O-N 2.78Å; D33-Y35 PolarHBondContact O-N 3.43Å; D33-Q37 HydrophobicContact CB-CB 4.34Å; D33-Q37 HydrophobicContact CB-CG 4.09Å; D33-Q37 WeakPolarHBondContact O-CB 3.37Å; D33-Q37 PolarHBondContact OD2-NE2 3.22Å; D33-Q37 PolarHBondContact OD2-OE1 3.17Å; D33-Q37 VanDerWaalsContact OD2-OE1 3.11Å; D33-R377 IonicContact OD1-NH1 3.37Å; D33-R377 IonicContact OD1-NH2 2.69Å; D33-R377 IonicContact OD2-CZ 2.75Å; D33-R377 IonicContact OD2-NH1 3.55Å; D33-R377 PolarHBondContact OD2-NH1 3.43Å; D33-R377 IonicContact OD2-NH2 3.74Å; D33-R377 PolarHBondContact OD2-NH2 3.46Å
34E91.4Very high89.1Confident0 Ų012.1 Ų12.10%07%0.067CC..Hα-helixtrans-65.4-26.7172.8-174.9173.117300111.2H31 P32 I39 R106 R171 T172 I173H31-E34 HydrophobicContact CB-CB 4.31Å; H31-E34 VanDerWaalsContact O-CB 3.29Å; H31-E34 WeakPolarHBondContact O-CB 3.49Å; H31-E34 PolarHBondContact O-N 2.88Å; P32-E34 PolarHBondContact O-N 2.64Å; E34-I39 VanDerWaalsContact O-CG1 3.31Å; E34-I39 WeakPolarHBondContact O-CG1 3.34Å; E34-R106 IonicContact OE1-CZ 3.59Å; E34-R106 IonicContact OE1-NE 3.6Å; E34-R106 IonicContact OE1-NH2 3.33Å; E34-R106 PolarHBondContact OE1-NH2 3.5Å; E34-R171 IonicContact OE2-CZ 3.69Å; E34-R171 IonicContact OE2-NH1 2.88Å; E34-R171 PolarHBondContact OE2-NH1 3.45Å; E34-T172 WeakPolarHBondContact CA-O 3.17Å; E34-T172 WeakPolarHBondContact CG-OG1 3.2Å; E34-T172 PolarHBondContact O-OG1 2.72Å; E34-I173 HydrophobicContact CB-CG1 4.08Å; E34-I173 HydrophobicContact CG-CG1 4.24Å
35Y93.4Very high89.7Confident3 Ų310.8 Ų10.81%0.0126%0.06CC..Hα-helixtrans-114-53.4-175.7-55.2-81.4000112.4L30 P32 D33 Q37 G38 I39 E40 L102 F437 P462 F464L30-Y35 HydrophobicContact CB-CE2 4.11Å; L30-Y35 HydrophobicContact CD2-CE2 3.67Å; L30-Y35 WeakPolarHBondContact CD2-OH 3.45Å; L30-Y35 HydrophobicContact CG-CE2 4.3Å; P32-Y35 PolarHBondContact O-N 3.35Å; D33-Y35 PolarHBondContact O-N 3.43Å; Y35-Q37 VanDerWaalsContact C-N 3.33Å; Y35-Q37 PolarHBondContact O-N 3.43Å; Y35-G38 CarbonylContact O-C 3.51Å; Y35-G38 PolarHBondContact O-N 2.82Å; Y35-I39 PolarHBondContact O-N 2.83Å; Y35-E40 WeakPolarHBondContact O-CB 3.47Å; Y35-E40 PolarHBondContact O-N 3.26Å; Y35-L102 HydrophobicContact CE1-CD1 4.33Å; Y35-L102 HydrophobicContact CE1-CD2 4.11Å; Y35-F437 HydrophobicContact CE1-CE2 4.29Å; Y35-P462 HydrophobicContact CD1-CB 4.18Å; Y35-P462 HydrophobicContact CD1-CG 4.12Å; Y35-P462 HydrophobicContact CE1-CG 4.43Å; Y35-P462 HydrophobicContact CG-CB 4.21Å; Y35-P462 HydrophobicContact CG-CG 4.3Å; Y35-F464 HydrophobicContact CD1-CE1 4.11Å
36F94.5Very high90.4Very high9 Ų910.9 Ų10.94%0.0396%0.06CC..Hα-helixtrans-78.5-13.9-171.4-56.1-66.7000114.2P32 E40 L52 T54 F57 M460P32-F36 HydrophobicContact CB-CD2 3.9Å; P32-F36 HydrophobicContact CB-CE2 4.38Å; P32-F36 WeakPolarHBondContact O-CD2 3.49Å; P32-F36 PolarHBondContact O-N 2.7Å; F36-E40 HydrophobicContact CD1-CB 4.03Å; F36-E40 HydrophobicContact CD1-CG 3.83Å; F36-E40 HydrophobicContact CE1-CB 4.47Å; F36-E40 HydrophobicContact CE1-CG 4.05Å; F36-L52 HydrophobicContact CD1-CB 4.4Å; F36-L52 HydrophobicContact CD1-CD2 4.34Å; F36-L52 HydrophobicContact CE1-CB 4.36Å; F36-L52 HydrophobicContact CE1-CD2 4.48Å; F36-T54 HydrophobicContact CB-CG2 4.17Å; F36-F57 WeakPolarHBondContact O-CE2 3.15Å; F36-M460 HydrophobicContact CD1-CE 4.19Å; F36-M460 HydrophobicContact CD1-SD 4.37Å; F36-M460 HydrophobicContact CD2-SD 4.3Å; F36-M460 HydrophobicContact CE1-CE 3.33Å; F36-M460 HydrophobicContact CE1-CG 4.43Å; F36-M460 HydrophobicContact CE1-SD 3.78Å; F36-M460 HydrophobicContact CE2-CB 3.9Å; F36-M460 HydrophobicContact CE2-CE 4.3Å; F36-M460 HydrophobicContact CE2-CG 3.86Å; F36-M460 WeakPolarHBondContact CE2-O 3.34Å; F36-M460 HydrophobicContact CE2-SD 3.71Å; F36-M460 HydrophobicContact CZ-CB 4.12Å; F36-M460 HydrophobicContact CZ-CE 3.4Å; F36-M460 VanDerWaalsContact CZ-CE 3.4Å; F36-M460 HydrophobicContact CZ-CG 3.58Å; F36-M460 HydrophobicContact CZ-SD 3.42Å; F36-M460 WeakPolarHBondContact CZ-SD 3.29Å
37Q92.4Very high90.8Very high9 Ų912.2 Ų12.24%0.0427%0.066CC..THydrogen-bonded Turntrans-94.816.6171.7-73.8-177.1-1.100113.6D33 Y35 E56 V174D33-Q37 HydrophobicContact CB-CB 4.34Å; D33-Q37 HydrophobicContact CB-CG 4.09Å; D33-Q37 WeakPolarHBondContact O-CB 3.37Å; D33-Q37 PolarHBondContact OD2-NE2 3.22Å; D33-Q37 PolarHBondContact OD2-OE1 3.17Å; D33-Q37 VanDerWaalsContact OD2-OE1 3.11Å; Y35-Q37 VanDerWaalsContact C-N 3.33Å; Y35-Q37 PolarHBondContact O-N 3.43Å; Q37-E56 WeakPolarHBondContact CG-OE2 3.43Å; Q37-E56 PolarHBondContact NE2-OE1 3.45Å; Q37-E56 PolarHBondContact NE2-OE2 3.4Å; Q37-V174 HydrophobicContact CB-CG2 4.15Å
38G94.6Very high91.2Very high1 Ų115 Ų151%0.018%0.079CC..THydrogen-bonded Turntrans178.7-62.9172.500000113.9Y35 E40 V41 A42Y35-G38 CarbonylContact O-C 3.51Å; Y35-G38 PolarHBondContact O-N 2.82Å; G38-E40 PolarHBondContact O-N 3.13Å; G38-V41 PolarHBondContact O-N 3.36Å; G38-A42 PolarHBondContact O-N 3.22Å
39I96Very high91.5Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-58.6-48.3-170.1-57-61.3000112.7E34 Y35 V41 A42 A43 V75 I101 L102 T172 F464E34-I39 VanDerWaalsContact O-CG1 3.31Å; E34-I39 WeakPolarHBondContact O-CG1 3.34Å; Y35-I39 PolarHBondContact O-N 2.83Å; I39-V41 VanDerWaalsContact C-N 3.33Å; I39-V41 PolarHBondContact O-N 2.66Å; I39-A42 PolarHBondContact O-N 2.93Å; I39-A43 WeakPolarHBondContact O-CB 3.12Å; I39-A43 PolarHBondContact O-N 3.38Å; I39-V75 HydrophobicContact CD1-CG1 4.14Å; I39-V75 HydrophobicContact CD1-CG2 4.41Å; I39-I101 HydrophobicContact CG2-CG2 3.39Å; I39-L102 HydrophobicContact CD1-CD1 4.24Å; I39-L102 HydrophobicContact CG1-CD1 4.1Å; I39-L102 HydrophobicContact CG2-CD1 4.33Å; I39-T172 HydrophobicContact CD1-CG2 3.77Å; I39-T172 HydrophobicContact CG1-CG2 4.28Å; I39-T172 WeakPolarHBondContact CG1-OG1 3.35Å; I39-F464 HydrophobicContact CG2-CD1 4.41Å; I39-F464 HydrophobicContact CG2-CE1 3.77Å; I39-F464 HydrophobicContact CG2-CZ 4.13Å
40E96.1Very high92.1Very high0 Ų016.1 Ų16.10%09%0.086CC..Hα-helixtrans-60.5-43.3179179.877.1179.800111.2Y35 F36 G38 A43 G44 V51 L52 P462 R463 F464Y35-E40 WeakPolarHBondContact O-CB 3.47Å; Y35-E40 PolarHBondContact O-N 3.26Å; F36-E40 HydrophobicContact CD1-CB 4.03Å; F36-E40 HydrophobicContact CD1-CG 3.83Å; F36-E40 HydrophobicContact CE1-CB 4.47Å; F36-E40 HydrophobicContact CE1-CG 4.05Å; G38-E40 PolarHBondContact O-N 3.13Å; E40-A43 PolarHBondContact O-N 3.13Å; E40-G44 PolarHBondContact O-N 3.18Å; E40-V51 HydrophobicContact CG-CB 3.94Å; E40-V51 WeakPolarHBondContact O-CG2 3.29Å; E40-V51 WeakPolarHBondContact OE1-CA 3.27Å; E40-V51 WeakPolarHBondContact OE1-CB 3.49Å; E40-L52 WeakPolarHBondContact CG-O 3.46Å; E40-L52 PolarHBondContact OE1-N 2.8Å; E40-P462 WeakPolarHBondContact OE2-CA 3.43Å; E40-P462 WeakPolarHBondContact OE2-CB 3.46Å; E40-R463 WeakPolarHBondContact OE1-CB 3.28Å; E40-R463 PolarHBondContact OE1-N 3.3Å; E40-R463 VanDerWaalsContact OE1-N 3.13Å; E40-R463 PolarHBondContact OE2-N 3.25Å; E40-F464 VanDerWaalsContact OE2-CD1 3.22Å; E40-F464 WeakPolarHBondContact OE2-CD1 3.41Å; E40-F464 PolarHBondContact OE2-N 2.88Å
41V96.6Very high92.9Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-65.2-47.9179.8171.90000111.1G38 I39 A43 G44 D45 F57 Y278G38-V41 PolarHBondContact O-N 3.36Å; I39-V41 VanDerWaalsContact C-N 3.33Å; I39-V41 PolarHBondContact O-N 2.66Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 2.99Å; V41-G44 PolarHBondContact O-N 3.39Å; V41-D45 VanDerWaalsContact O-CG 3.32Å; V41-D45 PolarHBondContact O-N 2.94Å; V41-F57 HydrophobicContact CB-CD1 4.38Å; V41-F57 HydrophobicContact CB-CE1 4.27Å; V41-F57 HydrophobicContact CB-CZ 4.48Å; V41-F57 HydrophobicContact CG1-CD1 3.83Å; V41-F57 HydrophobicContact CG1-CE1 3.95Å; V41-F57 HydrophobicContact CG1-CG 4.37Å; V41-F57 HydrophobicContact CG2-CB 4.35Å; V41-F57 HydrophobicContact CG2-CD1 3.89Å; V41-F57 HydrophobicContact CG2-CD2 3.65Å; V41-F57 HydrophobicContact CG2-CE1 3.98Å; V41-F57 HydrophobicContact CG2-CE2 3.79Å; V41-F57 HydrophobicContact CG2-CG 3.7Å; V41-F57 HydrophobicContact CG2-CZ 3.94Å; V41-Y278 VanDerWaalsContact CG1-OH 3.29Å; V41-Y278 WeakPolarHBondContact CG1-OH 3.33Å
42A96.8Very high93.3Very high0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-68.6-31.5179.500000113G38 I39 G44 D45 I46 V75 I79G38-A42 PolarHBondContact O-N 3.22Å; I39-A42 PolarHBondContact O-N 2.93Å; A42-G44 VanDerWaalsContact C-N 3.32Å; A42-D45 PolarHBondContact O-N 3.11Å; A42-I46 HydrophobicContact CB-CD1 4.41Å; A42-I46 VanDerWaalsContact O-CB 3.31Å; A42-I46 WeakPolarHBondContact O-CB 3.44Å; A42-I46 WeakPolarHBondContact O-CG1 3.43Å; A42-I46 PolarHBondContact O-N 3.04Å; A42-V75 HydrophobicContact CB-CB 4.49Å; A42-V75 HydrophobicContact CB-CG1 3.26Å; A42-I79 HydrophobicContact CB-CD1 3.91Å
43A95.7Very high93.7Very high0 Ų018.9 Ų18.90%010%0.095CC..Hα-helixtrans-59.8-45.1170.900000111.1I39 E40 V41 Y47 V51 I101 F464I39-A43 WeakPolarHBondContact O-CB 3.12Å; I39-A43 PolarHBondContact O-N 3.38Å; E40-A43 PolarHBondContact O-N 3.13Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 2.99Å; A43-Y47 WeakPolarHBondContact O-CB 3.34Å; A43-Y47 PolarHBondContact O-N 2.83Å; A43-V51 HydrophobicContact CB-CG1 4.46Å; A43-I101 HydrophobicContact CB-CD1 3.65Å; A43-I101 HydrophobicContact CB-CG1 4.29Å; A43-I101 HydrophobicContact CB-CG2 4.11Å; A43-F464 HydrophobicContact CB-CB 3.48Å; A43-F464 VanDerWaalsContact CB-CB 3.48Å; A43-F464 HydrophobicContact CB-CD1 4.33Å; A43-F464 HydrophobicContact CB-CG 3.95Å
44G95.1Very high94Very high5 Ų518.5 Ų18.55%0.0529%0.093CC..Hα-helixtrans-59.7-48.7172.100000112.6E40 V41 A42 I46 N48 L49E40-G44 PolarHBondContact O-N 3.18Å; V41-G44 PolarHBondContact O-N 3.39Å; A42-G44 VanDerWaalsContact C-N 3.32Å; G44-I46 PolarHBondContact O-N 3.49Å; G44-N48 WeakPolarHBondContact O-CA 3.12Å; G44-N48 PolarHBondContact O-N 2.85Å; G44-L49 PolarHBondContact O-N 2.93Å
45D94.6Very high94.1Very high56 Ų5623.9 Ų23.930%0.29911%0.114SC..Hα-helixtrans-61.5-43.8-178.4-68.1-31.8000113V41 A42 R53 H76 Y278V41-D45 VanDerWaalsContact O-CG 3.32Å; V41-D45 PolarHBondContact O-N 2.94Å; A42-D45 PolarHBondContact O-N 3.11Å; D45-R53 IonicContact OD1-CZ 3.12Å; D45-R53 IonicContact OD1-NH1 3.8Å; D45-R53 IonicContact OD1-NH2 2.77Å; D45-R53 PolarHBondContact OD1-NH2 2.9Å; D45-H76 IonicContact OD2-CD2 2.87Å; D45-H76 PolarHBondContact OD2-CD2 2.73Å; D45-H76 IonicContact OD2-CE1 2.84Å; D45-H76 IonicContact OD2-NE2 3.11Å; D45-H76 PolarHBondContact OD2-NE2 3.2Å; D45-Y278 PolarHBondContact OD1-OH 3.44Å; D45-Y278 WeakPolarHBondContact OD2-CE2 3.45Å; D45-Y278 PolarHBondContact OD2-OH 2.91Å
46I94.5Very high94.1Very high15 Ų1524.6 Ų24.68%0.07712%0.117CC..Hα-helixtrans-92.2-37.6-168.5-67.1167.2000111.9A42 G44 H76 I79 Q80 K83A42-I46 HydrophobicContact CB-CD1 4.41Å; A42-I46 VanDerWaalsContact O-CB 3.31Å; A42-I46 WeakPolarHBondContact O-CB 3.44Å; A42-I46 WeakPolarHBondContact O-CG1 3.43Å; A42-I46 PolarHBondContact O-N 3.04Å; G44-I46 PolarHBondContact O-N 3.49Å; I46-H76 HydrophobicContact CD1-CB 4.42Å; I46-H76 VanDerWaalsContact CD1-O 3.28Å; I46-H76 WeakPolarHBondContact CD1-O 3.36Å; I46-I79 HydrophobicContact CB-CG2 4.33Å; I46-I79 HydrophobicContact CD1-CB 3.65Å; I46-I79 HydrophobicContact CD1-CG2 3.6Å; I46-I79 HydrophobicContact CG2-CG2 4.11Å; I46-Q80 HydrophobicContact CD1-CB 4.15Å; I46-K83 HydrophobicContact CG2-CB 4.36Å; I46-K83 HydrophobicContact CG2-CD 3.58Å; I46-K83 PolarHBondContact O-NZ 2.77Å
47Y93.1Very high94.1Very high31 Ų3124.5 Ų24.512%0.12212%0.117CC..Hα-helixtrans-1021-178.3-74.2-89000113.5A43 L49 I79 K83 M97 I101A43-Y47 WeakPolarHBondContact O-CB 3.34Å; A43-Y47 PolarHBondContact O-N 2.83Å; Y47-L49 VanDerWaalsContact C-N 3.3Å; Y47-L49 PolarHBondContact O-N 2.9Å; Y47-I79 HydrophobicContact CD2-CG2 4.45Å; Y47-I79 HydrophobicContact CE2-CG2 3.88Å; Y47-K83 HydrophobicContact CE1-CD 4.17Å; Y47-K83 HydrophobicContact CE1-CG 4.34Å; Y47-M97 HydrophobicContact CE1-CE 4.47Å; Y47-I101 HydrophobicContact CD2-CD1 4.29Å; Y47-I101 HydrophobicContact CD2-CG1 4.1Å; Y47-I101 HydrophobicContact CE2-CG1 3.93Å
48N92Very high94.2Very high75 Ų7530.8 Ų30.840%0.40114%0.14SC..  trans54.844.9-177.4-164.230.1000112.6G44 L470G44-N48 WeakPolarHBondContact O-CA 3.12Å; G44-N48 PolarHBondContact O-N 2.85Å; N48-L470 PolarHBondContact O-N 2.8Å
49L92.3Very high94.1Very high7 Ų734.6 Ų34.64%0.03716%0.16CC..BIsolated β-bridgetrans-94.4149.2-177.3-60.4178.2000111.7G44 Y47 V51 M97 I101 F464 N467 V468G44-L49 PolarHBondContact O-N 2.93Å; Y47-L49 VanDerWaalsContact C-N 3.3Å; Y47-L49 PolarHBondContact O-N 2.9Å; L49-V51 HydrophobicContact CB-CG1 3.83Å; L49-V51 PolarHBondContact O-N 2.9Å; L49-M97 HydrophobicContact CD1-SD 4.12Å; L49-I101 HydrophobicContact CD1-CD1 4.38Å; L49-F464 HydrophobicContact CD1-CB 4.19Å; L49-N467 WeakPolarHBondContact CD2-OD1 3.32Å; L49-V468 CarbonylContact C-O 3.6Å; L49-V468 WeakPolarHBondContact CA-O 3.29Å
50D91.6Very high93.8Very high45 Ų4536.4 Ų36.424%0.24118%0.178CC..  trans-72.9101.8167-174.411.7000109.7V468 L470 S473D50-V468 HydrophobicContact CB-CB 4.33Å; D50-V468 HydrophobicContact CB-CG1 4.1Å; D50-V468 PolarHBondContact N-O 3.3Å; D50-L470 HydrophobicContact CB-CD1 4.49Å; D50-S473 VanDerWaalsContact OD2-CB 3.27Å; D50-S473 WeakPolarHBondContact OD2-CB 3.35Å; D50-S473 PolarHBondContact OD2-OG 2.94Å
51V94Very high93.3Very high15 Ų1544.9 Ų44.99%0.09122%0.223CC..  trans-126.8158.2-172.8-64.60000111.3E40 A43 L49 R53 F464E40-V51 HydrophobicContact CG-CB 3.94Å; E40-V51 WeakPolarHBondContact O-CG2 3.29Å; E40-V51 WeakPolarHBondContact OE1-CA 3.27Å; E40-V51 WeakPolarHBondContact OE1-CB 3.49Å; A43-V51 HydrophobicContact CB-CG1 4.46Å; L49-V51 HydrophobicContact CB-CG1 3.83Å; L49-V51 PolarHBondContact O-N 2.9Å; V51-R53 PolarHBondContact O-N 2.87Å; V51-F464 HydrophobicContact CG1-CB 4.14Å
52L93.1Very high92.8Very high36 Ų3649.3 Ų49.319%0.18824%0.244CC..  trans-77.7111.2172.5-174.372.9000110.9F36 E40 T54 M460F36-L52 HydrophobicContact CD1-CB 4.4Å; F36-L52 HydrophobicContact CD1-CD2 4.34Å; F36-L52 HydrophobicContact CE1-CB 4.36Å; F36-L52 HydrophobicContact CE1-CD2 4.48Å; E40-L52 WeakPolarHBondContact CG-O 3.46Å; E40-L52 PolarHBondContact OE1-N 2.8Å; L52-T54 HydrophobicContact CD2-CG2 4.06Å; L52-T54 HydrophobicContact CG-CG2 4.48Å; L52-M460 HydrophobicContact CB-CE 3.85Å; L52-M460 HydrophobicContact CD2-CE 3.2Å; L52-M460 HydrophobicContact CD2-SD 3.57Å; L52-M460 VanDerWaalsContact CD2-SD 3.57Å; L52-M460 HydrophobicContact CG-CE 4.06Å
53R93.7Very high92.5Very high64 Ų6449.5 Ų49.524%0.24225%0.246CC..  trans-90.4113.7159.9-64.8176.2-178.6-82.9-9.4109.6D45 V51 F57 R58 Y278D45-R53 IonicContact OD1-CZ 3.12Å; D45-R53 IonicContact OD1-NH1 3.8Å; D45-R53 IonicContact OD1-NH2 2.77Å; D45-R53 PolarHBondContact OD1-NH2 2.9Å; V51-R53 PolarHBondContact O-N 2.87Å; R53-F57 HydrophobicContact CB-CB 4.45Å; R53-R58 HydrophobicContact CB-CG 4.42Å; R53-R58 VanDerWaalsContact O-CZ 3.25Å; R53-R58 PolarHBondContact O-NE 2.86Å; R53-R58 PolarHBondContact O-NH2 2.87Å; R53-Y278 PolarHBondContact NH1-OH 3.26Å
54T93.2Very high92.5Very high18 Ų1849.5 Ų49.511%0.1125%0.246CC..  trans-71.1171.8173.861.10000110.9F36 L52 E56 F57F36-T54 HydrophobicContact CB-CG2 4.17Å; L52-T54 HydrophobicContact CD2-CG2 4.06Å; L52-T54 HydrophobicContact CG-CG2 4.48Å; T54-E56 PolarHBondContact O-N 2.76Å; T54-E56 VanDerWaalsContact O-N 3.17Å; T54-F57 PolarHBondContact O-N 3.5Å
55W91.8Very high92.5Very high112 Ų11249.5 Ų49.542%0.42425%0.245SC..G310 helixtrans-58.2-26175.766.298.5000112.5F57 R58 Y307W55-F57 PolarHBondContact O-N 3.05Å; W55-F57 VanDerWaalsContact O-N 3.08Å; W55-R58 PolarHBondContact O-N 3.36Å; W55-Y307 AromaticContact NE1-CZ 3.71Å; W55-Y307 PolarHBondContact NE1-OH 3.13Å
56E93.5Very high92.5Very high19 Ų1947.2 Ų47.29%0.08923%0.232CC..G310 helixtrans-59.9-19.9174.7-62.2-173.6119.200113.3Q37 T54 P64 L65 R66Q37-E56 WeakPolarHBondContact CG-OE2 3.43Å; Q37-E56 PolarHBondContact NE2-OE1 3.45Å; Q37-E56 PolarHBondContact NE2-OE2 3.4Å; T54-E56 PolarHBondContact O-N 2.76Å; T54-E56 VanDerWaalsContact O-N 3.17Å; E56-P64 CarbonylContact O-C 3.56Å; E56-P64 WeakPolarHBondContact O-CA 3.46Å; E56-P64 WeakPolarHBondContact O-CB 3.31Å; E56-L65 HydrophobicContact CB-CB 4.26Å; E56-L65 HydrophobicContact CG-CB 4.28Å; E56-L65 HydrophobicContact CG-CD1 4.28Å; E56-L65 PolarHBondContact O-N 2.92Å; E56-R66 HydrophobicContact CB-CG 3.82Å; E56-R66 HydrophobicContact CG-CG 4.44Å; E56-R66 PolarHBondContact O-N 3.3Å; E56-R66 IonicContact OE1-CZ 3.61Å; E56-R66 VanDerWaalsContact OE1-CZ 3.29Å; E56-R66 IonicContact OE1-NE 2.86Å; E56-R66 PolarHBondContact OE1-NE 2.76Å; E56-R66 VanDerWaalsContact OE1-NE 3.15Å; E56-R66 IonicContact OE1-NH2 3.63Å; E56-R66 PolarHBondContact OE1-NH2 2.82Å
57F95.3Very high92.7Very high6 Ų646.5 Ų46.53%0.02623%0.228CC..G310 helixtrans-120.913.8-177.7-68.8-86.5000113.9F36 V41 R53 T54 W55 R66 M71F36-F57 WeakPolarHBondContact O-CE2 3.15Å; V41-F57 HydrophobicContact CB-CD1 4.38Å; V41-F57 HydrophobicContact CB-CE1 4.27Å; V41-F57 HydrophobicContact CB-CZ 4.48Å; V41-F57 HydrophobicContact CG1-CD1 3.83Å; V41-F57 HydrophobicContact CG1-CE1 3.95Å; V41-F57 HydrophobicContact CG1-CG 4.37Å; V41-F57 HydrophobicContact CG2-CB 4.35Å; V41-F57 HydrophobicContact CG2-CD1 3.89Å; V41-F57 HydrophobicContact CG2-CD2 3.65Å; V41-F57 HydrophobicContact CG2-CE1 3.98Å; V41-F57 HydrophobicContact CG2-CE2 3.79Å; V41-F57 HydrophobicContact CG2-CG 3.7Å; V41-F57 HydrophobicContact CG2-CZ 3.94Å; R53-F57 HydrophobicContact CB-CB 4.45Å; T54-F57 PolarHBondContact O-N 3.5Å; W55-F57 PolarHBondContact O-N 3.05Å; W55-F57 VanDerWaalsContact O-N 3.08Å; F57-R66 HydrophobicContact CD1-CB 4.48Å; F57-R66 HydrophobicContact CE1-CB 3.89Å; F57-R66 HydrophobicContact CE2-CB 4.1Å; F57-R66 HydrophobicContact CE2-CG 4.07Å; F57-R66 HydrophobicContact CZ-CB 3.66Å; F57-R66 HydrophobicContact CZ-CG 4.04Å; F57-M71 HydrophobicContact CE1-CE 3.23Å; F57-M71 HydrophobicContact CE1-SD 4.49Å; F57-M71 HydrophobicContact CZ-CE 3.37Å; F57-M71 HydrophobicContact CZ-SD 4.08Å
58R94.2Very high92.8Very high142 Ų14245.5 Ų45.554%0.53623%0.225SC..SBendtrans-116140.7177.1-66.4-176.9-169.1-158.60.6110.1R53 W55 G60 G63R53-R58 HydrophobicContact CB-CG 4.42Å; R53-R58 VanDerWaalsContact O-CZ 3.25Å; R53-R58 PolarHBondContact O-NE 2.86Å; R53-R58 PolarHBondContact O-NH2 2.87Å; W55-R58 PolarHBondContact O-N 3.36Å; R58-G60 PolarHBondContact O-N 2.98Å; R58-G63 CarbonylContact O-C 3.29Å; R58-G63 VanDerWaalsContact O-C 3.29Å; R58-G63 WeakPolarHBondContact O-CA 3.28Å
59L92.4Very high93Very high81 Ų8141.9 Ų41.942%0.42421%0.206SC..  trans-71.6124.7171-166.968.9000109I298L59-I298 HydrophobicContact CD1-CD1 3.55Å
60G90Very high93.2Very high37 Ų3741.6 Ų41.638%0.38120%0.204SC..BIsolated β-bridgetrans176.4-175.5-179.700000111R58 E62 G63R58-G60 PolarHBondContact O-N 2.98Å; G60-E62 VanDerWaalsContact C-N 3.26Å; G60-E62 PolarHBondContact O-N 2.87Å; G60-G63 PolarHBondContact O-N 3.44Å
61D86.1Confident93.5Very high178 Ų17839.4 Ų39.495%0.95219%0.193SC*.THydrogen-bonded Turntrans-63.4-33.7-176.1-61.7-27.6000112.8
62E86.1Confident93.6Very high94 Ų9439.7 Ų39.744%0.43920%0.195SC..THydrogen-bonded Turntrans-96.10.6-179-68.1-174.5-170.400114G60 L65 Y307 H313G60-E62 VanDerWaalsContact C-N 3.26Å; G60-E62 PolarHBondContact O-N 2.87Å; E62-L65 VanDerWaalsContact O-CD2 3.28Å; E62-L65 WeakPolarHBondContact O-CD2 3.42Å; E62-L65 WeakPolarHBondContact O-CG 3.26Å; E62-Y307 HydrophobicContact CB-CD2 4.11Å; E62-Y307 HydrophobicContact CB-CE2 3.87Å; E62-Y307 HydrophobicContact CG-CD2 4.43Å; E62-Y307 HydrophobicContact CG-CE2 4.09Å; E62-H313 IonicContact OE1-NE2 3.44Å
63G90.4Very high93.8Very high3 Ų339.8 Ų39.83%0.03120%0.198CC..BIsolated β-bridgetrans-149.5177.6-172.300000113.8R58 G60 R303R58-G63 CarbonylContact O-C 3.29Å; R58-G63 VanDerWaalsContact O-C 3.29Å; R58-G63 WeakPolarHBondContact O-CA 3.28Å; G60-G63 PolarHBondContact O-N 3.44Å; G63-R303 PolarHBondContact O-NH1 2.91Å
64P95.7Very high94Very high0 Ų037.5 Ų37.50%019%0.19CC..  cis-73.3153.5-12.332.9-36.6000111.7E56 F279 I298 T300 R303E56-P64 CarbonylContact O-C 3.56Å; E56-P64 WeakPolarHBondContact O-CA 3.46Å; E56-P64 WeakPolarHBondContact O-CB 3.31Å; P64-F279 HydrophobicContact CB-CD1 3.79Å; P64-F279 HydrophobicContact CB-CD2 4.11Å; P64-F279 HydrophobicContact CB-CE1 3.34Å; P64-F279 HydrophobicContact CB-CE2 3.68Å; P64-F279 HydrophobicContact CB-CG 4.18Å; P64-F279 HydrophobicContact CB-CZ 3.28Å; P64-F279 HydrophobicContact CG-CD1 3.83Å; P64-F279 HydrophobicContact CG-CD2 3.52Å; P64-F279 HydrophobicContact CG-CE1 3.83Å; P64-F279 HydrophobicContact CG-CE2 3.5Å; P64-F279 HydrophobicContact CG-CG 3.7Å; P64-F279 HydrophobicContact CG-CZ 3.67Å; P64-I298 HydrophobicContact CG-CG2 3.58Å; P64-T300 HydrophobicContact CG-CG2 4.39Å; P64-R303 WeakPolarHBondContact O-CB 3.25Å; P64-R303 WeakPolarHBondContact O-CD 3.27Å
65L94.8Very high94.2Very high6 Ų636.6 Ų36.63%0.03119%0.185CC..  trans-111.8-10-178.1-56.5-177.4000113.2E56 E62 R303 F304 Y307E56-L65 HydrophobicContact CB-CB 4.26Å; E56-L65 HydrophobicContact CG-CB 4.28Å; E56-L65 HydrophobicContact CG-CD1 4.28Å; E56-L65 PolarHBondContact O-N 2.92Å; E62-L65 VanDerWaalsContact O-CD2 3.28Å; E62-L65 WeakPolarHBondContact O-CD2 3.42Å; E62-L65 WeakPolarHBondContact O-CG 3.26Å; L65-R303 HydrophobicContact CD2-CB 4.11Å; L65-F304 HydrophobicContact CB-CD2 4.44Å; L65-Y307 HydrophobicContact CD1-CD1 3.52Å; L65-Y307 HydrophobicContact CD1-CD2 3.89Å; L65-Y307 HydrophobicContact CD1-CE1 3.88Å; L65-Y307 HydrophobicContact CD1-CE2 4.23Å; L65-Y307 HydrophobicContact CD1-CG 3.52Å; L65-Y307 HydrophobicContact CD2-CD2 4.37Å; L65-Y307 HydrophobicContact CD2-CG 4.02Å; L65-Y307 HydrophobicContact CG-CG 4.43Å
66R95.6Very high94.4Very high8 Ų832.3 Ų32.33%0.0317%0.169CC..SBendtrans-121.3132.1-175.8-64.3-73.7174.9-125.5-8.5110.6E56 F57 M71 F279 F304E56-R66 HydrophobicContact CB-CG 3.82Å; E56-R66 HydrophobicContact CG-CG 4.44Å; E56-R66 PolarHBondContact O-N 3.3Å; E56-R66 IonicContact OE1-CZ 3.61Å; E56-R66 VanDerWaalsContact OE1-CZ 3.29Å; E56-R66 IonicContact OE1-NE 2.86Å; E56-R66 PolarHBondContact OE1-NE 2.76Å; E56-R66 VanDerWaalsContact OE1-NE 3.15Å; E56-R66 IonicContact OE1-NH2 3.63Å; E56-R66 PolarHBondContact OE1-NH2 2.82Å; F57-R66 HydrophobicContact CD1-CB 4.48Å; F57-R66 HydrophobicContact CE1-CB 3.89Å; F57-R66 HydrophobicContact CE2-CB 4.1Å; F57-R66 HydrophobicContact CE2-CG 4.07Å; F57-R66 HydrophobicContact CZ-CB 3.66Å; F57-R66 HydrophobicContact CZ-CG 4.04Å; R66-M71 HydrophobicContact CB-CE 3.98Å; R66-M71 HydrophobicContact CB-SD 4.25Å; R66-F279 WeakPolarHBondContact O-CZ 3.21Å; R66-F304 VanDerWaalsContact NH1-CD2 3.28Å
67S97.2Very high94.6Very high0 Ų036.4 Ų36.40%019%0.19CC..  trans-80123.7176.6-176.30000111.1A69 G70 M71 F225 D275 T300S67-A69 VanDerWaalsContact C-N 3.32Å; S67-A69 WeakPolarHBondContact OG-CB 3.45Å; S67-A69 PolarHBondContact OG-N 2.85Å; S67-G70 PolarHBondContact OG-N 3.04Å; S67-M71 WeakPolarHBondContact O-CE 3.47Å; S67-M71 WeakPolarHBondContact O-CG 3.31Å; S67-M71 PolarHBondContact O-N 3.01Å; S67-F225 WeakPolarHBondContact CB-O 3.36Å; S67-F225 WeakPolarHBondContact OG-CD1 3.47Å; S67-D275 VanDerWaalsContact CA-OD2 3.29Å; S67-D275 WeakPolarHBondContact CA-OD2 3.41Å; S67-D275 WeakPolarHBondContact CB-OD2 3.27Å; S67-D275 PolarHBondContact OG-OD1 3.27Å; S67-D275 PolarHBondContact OG-OD2 3.29Å; S67-T300 VanDerWaalsContact CB-OG1 3.3Å; S67-T300 WeakPolarHBondContact CB-OG1 3.47Å
68V96.4Very high94.7Very high9 Ų936.7 Ų36.76%0.05519%0.193CC..Hα-helixtrans-69.6-37.3169.6174.70000110.2G70 M71 S72 D275 Y278 F279V68-G70 PolarHBondContact O-N 2.77Å; V68-M71 PolarHBondContact O-N 2.88Å; V68-S72 VanDerWaalsContact O-CB 3.27Å; V68-S72 WeakPolarHBondContact O-CB 3.27Å; V68-S72 PolarHBondContact O-N 2.84Å; V68-D275 PolarHBondContact N-OD1 2.92Å; V68-Y278 HydrophobicContact CB-CD1 4.21Å; V68-Y278 HydrophobicContact CB-CD2 4.3Å; V68-Y278 HydrophobicContact CB-CE1 4.47Å; V68-Y278 HydrophobicContact CB-CG 4.12Å; V68-Y278 HydrophobicContact CG1-CD2 3.92Å; V68-Y278 HydrophobicContact CG1-CE2 4.02Å; V68-Y278 HydrophobicContact CG1-CG 4.24Å; V68-Y278 HydrophobicContact CG2-CD1 3.48Å; V68-Y278 VanDerWaalsContact CG2-CD1 3.48Å; V68-Y278 HydrophobicContact CG2-CD2 4.12Å; V68-Y278 HydrophobicContact CG2-CE1 3.38Å; V68-Y278 HydrophobicContact CG2-CE2 4Å; V68-Y278 HydrophobicContact CG2-CG 3.85Å; V68-F279 HydrophobicContact CG2-CZ 4.29Å
69A96.6Very high94.8Very high0 Ų030 Ų300%017%0.168CC..Hα-helixtrans-54.3-53.2173.600000110.9S67 M71 S72 W222 C271 I274 D275S67-A69 VanDerWaalsContact C-N 3.32Å; S67-A69 WeakPolarHBondContact OG-CB 3.45Å; S67-A69 PolarHBondContact OG-N 2.85Å; A69-M71 VanDerWaalsContact C-N 3.35Å; A69-M71 PolarHBondContact O-N 2.81Å; A69-S72 PolarHBondContact O-N 2.83Å; A69-S72 PolarHBondContact O-OG 2.98Å; A69-W222 WeakPolarHBondContact O-CZ3 3.5Å; A69-C271 HydrophobicContact CB-CB 4.07Å; A69-I274 HydrophobicContact CB-CB 3.93Å; A69-I274 HydrophobicContact CB-CD1 4.21Å; A69-I274 HydrophobicContact CB-CG2 3.7Å; A69-D275 PolarHBondContact N-OD1 2.95Å
70G96.5Very high95Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-62.2-34.2-177.600000114.8S67 V68 P73 L226S67-G70 PolarHBondContact OG-N 3.04Å; V68-G70 PolarHBondContact O-N 2.77Å; G70-P73 WeakPolarHBondContact O-CD 3.46Å; G70-L226 WeakPolarHBondContact O-CD1 3.31Å
71M96.1Very high95.3Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-89.6-23.5-178.2-59.8176.7-55.700113.6F57 R66 S67 V68 A69 P73 F74 V75 L226F57-M71 HydrophobicContact CE1-CE 3.23Å; F57-M71 HydrophobicContact CE1-SD 4.49Å; F57-M71 HydrophobicContact CZ-CE 3.37Å; F57-M71 HydrophobicContact CZ-SD 4.08Å; R66-M71 HydrophobicContact CB-CE 3.98Å; R66-M71 HydrophobicContact CB-SD 4.25Å; S67-M71 WeakPolarHBondContact O-CE 3.47Å; S67-M71 WeakPolarHBondContact O-CG 3.31Å; S67-M71 PolarHBondContact O-N 3.01Å; V68-M71 PolarHBondContact O-N 2.88Å; A69-M71 VanDerWaalsContact C-N 3.35Å; A69-M71 PolarHBondContact O-N 2.81Å; M71-P73 VanDerWaalsContact C-N 3.3Å; M71-P73 WeakPolarHBondContact O-CD 3.39Å; M71-P73 VanDerWaalsContact O-N 3.13Å; M71-F74 PolarHBondContact O-N 3.16Å; M71-V75 PolarHBondContact O-N 3.32Å; M71-V75 VanDerWaalsContact O-N 3.12Å; M71-L226 HydrophobicContact CB-CD1 4.41Å; M71-L226 HydrophobicContact CG-CD1 3.77Å
72S96.9Very high95.7Very high20 Ų2020.8 Ų20.814%0.1412%0.115CC..THydrogen-bonded Turntrans-51-36.1-175.266.90000115.4V68 A69 F74 V75 H76 I77V68-S72 VanDerWaalsContact O-CB 3.27Å; V68-S72 WeakPolarHBondContact O-CB 3.27Å; V68-S72 PolarHBondContact O-N 2.84Å; A69-S72 PolarHBondContact O-N 2.83Å; A69-S72 PolarHBondContact O-OG 2.98Å; S72-F74 PolarHBondContact O-N 2.77Å; S72-V75 PolarHBondContact O-N 3.37Å; S72-H76 PolarHBondContact O-N 2.8Å; S72-I77 WeakPolarHBondContact O-CB 3.44Å; S72-I77 WeakPolarHBondContact O-CG1 3.45Å; S72-I77 PolarHBondContact O-N 3.35Å
73P97.4Very high96Very high38 Ų3819.9 Ų19.925%0.24711%0.11CC..THydrogen-bonded Turntrans-64-26.7178.8-22.736.6000114G70 M71 W222G70-P73 WeakPolarHBondContact O-CD 3.46Å; M71-P73 VanDerWaalsContact C-N 3.3Å; M71-P73 WeakPolarHBondContact O-CD 3.39Å; M71-P73 VanDerWaalsContact O-N 3.13Å; P73-W222 HydrophobicContact CG-CE3 3.94Å; P73-W222 HydrophobicContact CG-CZ3 3.81Å
74F97.8Very high96.1Very high16 Ų1629.2 Ų29.27%0.0714%0.144CC..THydrogen-bonded Turntrans-101.5-18.8-178.1-60.9-83.6000113.2M71 S72 P78 S105 V108 W177 I180 Y181M71-F74 PolarHBondContact O-N 3.16Å; S72-F74 PolarHBondContact O-N 2.77Å; F74-P78 VanDerWaalsContact C-CG 3.44Å; F74-P78 VanDerWaalsContact O-CG 3.23Å; F74-P78 WeakPolarHBondContact O-CG 3.35Å; F74-S105 WeakPolarHBondContact O-CA 3.24Å; F74-S105 VanDerWaalsContact O-CB 3.27Å; F74-S105 WeakPolarHBondContact O-CB 3.28Å; F74-S105 PolarHBondContact O-OG 2.89Å; F74-V108 HydrophobicContact CD1-CG1 4.07Å; F74-W177 HydrophobicContact CB-CD2 3.61Å; F74-W177 VanDerWaalsContact CB-CE2 3.44Å; F74-W177 HydrophobicContact CB-CE3 3.99Å; F74-W177 HydrophobicContact CB-CG 4.12Å; F74-W177 HydrophobicContact CB-CH2 4.11Å; F74-W177 HydrophobicContact CB-CZ2 3.69Å; F74-W177 HydrophobicContact CB-CZ3 4.23Å; F74-W177 HydrophobicContact CD1-CB 4.28Å; F74-W177 AromaticContact CD1-CD1 3.37Å; F74-W177 HydrophobicContact CD1-CD2 4.11Å; F74-W177 AromaticContact CD1-CG 3.68Å; F74-W177 HydrophobicContact CD1-CG 3.68Å; F74-W177 AromaticContact CD1-NE1 3.64Å; F74-W177 HydrophobicContact CD2-CB 4.05Å; F74-W177 HydrophobicContact CD2-CD2 4.03Å; F74-W177 HydrophobicContact CD2-CE3 4.31Å; F74-W177 AromaticContact CD2-CG 3.92Å; F74-W177 HydrophobicContact CD2-CG 3.92Å; F74-W177 HydrophobicContact CE1-CB 4.19Å; F74-W177 AromaticContact CE1-CD1 3.79Å; F74-W177 HydrophobicContact CE1-CG 4.03Å; F74-W177 HydrophobicContact CE2-CB 3.97Å; F74-W177 HydrophobicContact CE2-CG 4.27Å; F74-W177 HydrophobicContact CG-CB 4.21Å; F74-W177 AromaticContact CG-CD1 3.74Å; F74-W177 AromaticContact CG-CD2 3.64Å; F74-W177 HydrophobicContact CG-CD2 3.64Å; F74-W177 AromaticContact CG-CE2 3.83Å; F74-W177 HydrophobicContact CG-CE3 4.22Å; F74-W177 AromaticContact CG-CG 3.61Å; F74-W177 HydrophobicContact CG-CG 3.61Å; F74-W177 AromaticContact CG-NE1 3.85Å; F74-W177 HydrophobicContact CZ-CB 4.03Å; F74-W177 HydrophobicContact CZ-CG 4.31Å; F74-I180 HydrophobicContact CE1-CD1 3.88Å; F74-I180 HydrophobicContact CE1-CG2 4.46Å; F74-I180 HydrophobicContact CZ-CG2 4.39Å; F74-Y181 HydrophobicContact CE2-CD2 4.27Å; F74-Y181 AromaticContact CE2-CE2 3.5Å; F74-Y181 HydrophobicContact CE2-CE2 3.5Å; F74-Y181 VanDerWaalsContact CE2-CE2 3.5Å; F74-Y181 AromaticContact CE2-CZ 3.94Å; F74-Y181 HydrophobicContact CZ-CD2 4.48Å; F74-Y181 HydrophobicContact CZ-CE2 4.05Å
75V97.1Very high95.8Very high0 Ų036 Ų360%018%0.179CC..THydrogen-bonded Turntrans-122.5-76.1-171.4-1730000111.7I39 A42 M71 S72 I77 P78 I79 W177I39-V75 HydrophobicContact CD1-CG1 4.14Å; I39-V75 HydrophobicContact CD1-CG2 4.41Å; A42-V75 HydrophobicContact CB-CB 4.49Å; A42-V75 HydrophobicContact CB-CG1 3.26Å; M71-V75 PolarHBondContact O-N 3.32Å; M71-V75 VanDerWaalsContact O-N 3.12Å; S72-V75 PolarHBondContact O-N 3.37Å; V75-I77 PolarHBondContact O-N 2.83Å; V75-P78 VanDerWaalsContact O-CD 3.24Å; V75-P78 WeakPolarHBondContact O-CD 3.43Å; V75-P78 VanDerWaalsContact O-CG 3.31Å; V75-P78 WeakPolarHBondContact O-CG 3.4Å; V75-I79 HydrophobicContact CG1-CD1 3.83Å; V75-I79 WeakPolarHBondContact O-CB 3.44Å; V75-I79 WeakPolarHBondContact O-CD1 3.32Å; V75-I79 VanDerWaalsContact O-CG1 3.24Å; V75-I79 WeakPolarHBondContact O-CG1 3.38Å; V75-I79 PolarHBondContact O-N 3.45Å; V75-I79 VanDerWaalsContact O-N 3.16Å; V75-W177 HydrophobicContact CG2-CH2 3.17Å; V75-W177 HydrophobicContact CG2-CZ2 3.92Å; V75-W177 HydrophobicContact CG2-CZ3 3.72Å
76H97.1Very high95.2Very high22 Ų2240 Ų4010%0.10220%0.198CC..Hα-helixtrans-61.8-46.8-171.4-64.471000113D45 I46 S72 Q80D45-H76 IonicContact OD2-CD2 2.87Å; D45-H76 PolarHBondContact OD2-CD2 2.73Å; D45-H76 IonicContact OD2-CE1 2.84Å; D45-H76 IonicContact OD2-NE2 3.11Å; D45-H76 PolarHBondContact OD2-NE2 3.2Å; I46-H76 HydrophobicContact CD1-CB 4.42Å; I46-H76 VanDerWaalsContact CD1-O 3.28Å; I46-H76 WeakPolarHBondContact CD1-O 3.36Å; S72-H76 PolarHBondContact O-N 2.8Å; H76-Q80 WeakPolarHBondContact O-CB 3.27Å; H76-Q80 PolarHBondContact O-N 3.21Å
77I97.2Very high94.2Very high104 Ų10443 Ų4353%0.53322%0.224SC..Hα-helixtrans-62-52.3-178.7-64.5178.8000111.9S72 V75 I79 Q80 A81S72-I77 WeakPolarHBondContact O-CB 3.44Å; S72-I77 WeakPolarHBondContact O-CG1 3.45Å; S72-I77 PolarHBondContact O-N 3.35Å; V75-I77 PolarHBondContact O-N 2.83Å; I77-I79 PolarHBondContact O-N 2.93Å; I77-Q80 PolarHBondContact O-N 3.3Å; I77-A81 WeakPolarHBondContact O-CB 3.43Å; I77-A81 PolarHBondContact O-N 3.14Å
78P97.3Very high92.8Very high13 Ų1352 Ų528%0.08427%0.266CS..Hα-helixtrans-65.4-37.3-179.619-29000113.8F74 V75 A81 A82 P104 V108F74-P78 VanDerWaalsContact C-CG 3.44Å; F74-P78 VanDerWaalsContact O-CG 3.23Å; F74-P78 WeakPolarHBondContact O-CG 3.35Å; V75-P78 VanDerWaalsContact O-CD 3.24Å; V75-P78 WeakPolarHBondContact O-CD 3.43Å; V75-P78 VanDerWaalsContact O-CG 3.31Å; V75-P78 WeakPolarHBondContact O-CG 3.4Å; P78-A81 PolarHBondContact O-N 3.21Å; P78-A82 WeakPolarHBondContact O-CB 3.33Å; P78-A82 PolarHBondContact O-N 2.71Å; P78-P104 HydrophobicContact CB-CB 3.95Å; P78-P104 WeakPolarHBondContact O-CB 3.38Å; P78-V108 HydrophobicContact CB-CG2 3.71Å; P78-V108 HydrophobicContact CG-CG2 4.08Å
79I96.8Very high91.7Very high0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-66.4-43.4176.8-64.2168.3000110.1A42 I46 Y47 V75 I77 A81 A82 K83 I101A42-I79 HydrophobicContact CB-CD1 3.91Å; I46-I79 HydrophobicContact CB-CG2 4.33Å; I46-I79 HydrophobicContact CD1-CB 3.65Å; I46-I79 HydrophobicContact CD1-CG2 3.6Å; I46-I79 HydrophobicContact CG2-CG2 4.11Å; Y47-I79 HydrophobicContact CD2-CG2 4.45Å; Y47-I79 HydrophobicContact CE2-CG2 3.88Å; V75-I79 HydrophobicContact CG1-CD1 3.83Å; V75-I79 WeakPolarHBondContact O-CB 3.44Å; V75-I79 WeakPolarHBondContact O-CD1 3.32Å; V75-I79 VanDerWaalsContact O-CG1 3.24Å; V75-I79 WeakPolarHBondContact O-CG1 3.38Å; V75-I79 PolarHBondContact O-N 3.45Å; V75-I79 VanDerWaalsContact O-N 3.16Å; I77-I79 PolarHBondContact O-N 2.93Å; I79-A81 PolarHBondContact O-N 2.9Å; I79-A82 PolarHBondContact O-N 2.84Å; I79-K83 PolarHBondContact O-N 3.47Å; I79-I101 HydrophobicContact CD1-CG2 4.07Å; I79-I101 WeakPolarHBondContact CG1-O 3.28Å
80Q95.6Very high90.6Very high55 Ų5562.8 Ų62.826%0.25732%0.324SS..Hα-helixtrans-63.6-42.6177.7-175.761.345.300111.7I46 H76 I77 A82 K83 W84I46-Q80 HydrophobicContact CD1-CB 4.15Å; H76-Q80 WeakPolarHBondContact O-CB 3.27Å; H76-Q80 PolarHBondContact O-N 3.21Å; I77-Q80 PolarHBondContact O-N 3.3Å; Q80-A82 VanDerWaalsContact C-N 3.34Å; Q80-A82 PolarHBondContact O-N 3.15Å; Q80-K83 PolarHBondContact O-N 3.31Å; Q80-W84 HydrophobicContact CG-CD2 4.46Å; Q80-W84 HydrophobicContact CG-CH2 4.31Å; Q80-W84 HydrophobicContact CG-CZ2 3.81Å; Q80-W84 PolarHBondContact O-N 3.45Å; Q80-W84 VanDerWaalsContact O-N 3.08Å
81A95.7Very high89.9Confident36 Ų3665.6 Ų65.630%0.29834%0.339SS..Hα-helixtrans-62.1-41.8175.800000111.7I77 P78 I79 W84 I85I77-A81 WeakPolarHBondContact O-CB 3.43Å; I77-A81 PolarHBondContact O-N 3.14Å; P78-A81 PolarHBondContact O-N 3.21Å; I79-A81 PolarHBondContact O-N 2.9Å; A81-W84 PolarHBondContact O-N 3.42Å; A81-I85 WeakPolarHBondContact O-CG1 3.44Å; A81-I85 PolarHBondContact O-N 3.29Å
82A94.4Very high89.6Confident12 Ų1265.9 Ų65.910%0.09934%0.34CS..Hα-helixtrans-64.4-41.4174.900000112P78 I79 Q80 W84 I85 H86 P104P78-A82 WeakPolarHBondContact O-CB 3.33Å; P78-A82 PolarHBondContact O-N 2.71Å; I79-A82 PolarHBondContact O-N 2.84Å; Q80-A82 VanDerWaalsContact C-N 3.34Å; Q80-A82 PolarHBondContact O-N 3.15Å; A82-W84 VanDerWaalsContact C-N 3.27Å; A82-W84 PolarHBondContact O-N 3.14Å; A82-I85 PolarHBondContact O-N 3.29Å; A82-H86 PolarHBondContact O-CD2 3.29Å; A82-H86 PolarHBondContact O-N 3.32Å; A82-H86 VanDerWaalsContact O-N 3.09Å; A82-P104 HydrophobicContact CB-CB 3.97Å; A82-P104 HydrophobicContact CB-CG 3.35Å
83K93.2Very high89.4Confident75 Ų7565.8 Ų65.833%0.32634%0.339SS..Hα-helixtrans-58.3-37.8174.9-179174.6172.2178.20112.3I46 Y47 I79 Q80 I85 H86I46-K83 HydrophobicContact CG2-CB 4.36Å; I46-K83 HydrophobicContact CG2-CD 3.58Å; I46-K83 PolarHBondContact O-NZ 2.77Å; Y47-K83 HydrophobicContact CE1-CD 4.17Å; Y47-K83 HydrophobicContact CE1-CG 4.34Å; I79-K83 PolarHBondContact O-N 3.47Å; Q80-K83 PolarHBondContact O-N 3.31Å; K83-I85 VanDerWaalsContact C-N 3.3Å; K83-I85 PolarHBondContact O-N 2.93Å; K83-H86 VanDerWaalsContact O-O 3.04Å
84W92.3Very high89.1Confident200 Ų20064 Ų6476%0.75833%0.328SS*.Hα-helixtrans-67.8-26.7175.8-67.4-27.8000114.1Q80 A81 A82Q80-W84 HydrophobicContact CG-CD2 4.46Å; Q80-W84 HydrophobicContact CG-CH2 4.31Å; Q80-W84 HydrophobicContact CG-CZ2 3.81Å; Q80-W84 PolarHBondContact O-N 3.45Å; Q80-W84 VanDerWaalsContact O-N 3.08Å; A81-W84 PolarHBondContact O-N 3.42Å; A82-W84 VanDerWaalsContact C-N 3.27Å; A82-W84 PolarHBondContact O-N 3.14Å
85I89Confident88.8Confident141 Ų14165.4 Ų65.472%0.72334%0.34SS*.Hα-helixtrans-83.5-33.6-179.1-64.6165000111.1A81 A82 K83A81-I85 WeakPolarHBondContact O-CG1 3.44Å; A81-I85 PolarHBondContact O-N 3.29Å; A82-I85 PolarHBondContact O-N 3.29Å; K83-I85 VanDerWaalsContact C-N 3.3Å; K83-I85 PolarHBondContact O-N 2.93Å
86H83.1Confident88.6Confident92 Ų9268.3 Ų68.343%0.42636%0.355SS..SBendtrans-88.5147.2-179.4-66.8-68.7000112.3A82 K83A82-H86 PolarHBondContact O-CD2 3.29Å; A82-H86 PolarHBondContact O-N 3.32Å; A82-H86 VanDerWaalsContact O-N 3.09Å; K83-H86 VanDerWaalsContact O-O 3.04Å
87A73.8Confident88.3Confident70 Ų7067.2 Ų67.258%0.57935%0.35SS*.  trans-61.3152.6174.600000112.3E89A87-E89 PolarHBondContact O-N 3.48Å
88E68.8Low88.1Confident190 Ų19062.3 Ų62.389%0.88833%0.325SS*.  trans-69.668.1171.9-68.6-172.9165.600111
89E73.5Confident87.8Confident112 Ų11265.7 Ų65.752%0.52334%0.343SS..  trans-77.9148.6157.6-74.7166.3-176.400108.2A87 F92 R100A87-E89 PolarHBondContact O-N 3.48Å; E89-F92 HydrophobicContact CB-CD1 4.32Å; E89-F92 HydrophobicContact CB-CE1 3.29Å; E89-F92 HydrophobicContact CB-CE2 4.5Å; E89-F92 HydrophobicContact CB-CZ 3.45Å; E89-F92 VanDerWaalsContact CB-CZ 3.45Å; E89-F92 HydrophobicContact CG-CE1 4.44Å; E89-F92 WeakPolarHBondContact O-CE2 3.29Å; E89-F92 WeakPolarHBondContact O-CZ 3.4Å; E89-F92 WeakPolarHBondContact OE2-CE1 3.3Å; E89-R100 IonicContact OE2-CZ 2.63Å; E89-R100 IonicContact OE2-NH2 3.97Å; E89-R100 PolarHBondContact OE2-NH2 3.26Å
90T72.6Confident87.6Confident122 Ų12266.9 Ų66.975%0.74835%0.347SS*.  trans-118.2-19177.350.50000112.6N467T90-N467 PolarHBondContact O-ND2 3.39Å
91D82.2Confident87.5Confident60 Ų6064.2 Ų64.232%0.32134%0.335SS..  trans-102.897.2-179.2-171.835.1000110.9S445 N446D91-S445 VanDerWaalsContact CG-OG 3.3Å; D91-S445 WeakPolarHBondContact OD1-CB 3.37Å; D91-S445 PolarHBondContact OD1-OG 3.36Å; D91-S445 VanDerWaalsContact OD2-CB 3.29Å; D91-S445 WeakPolarHBondContact OD2-CB 3.42Å; D91-S445 PolarHBondContact OD2-OG 2.86Å; D91-N446 PolarHBondContact OD1-OD1 3.27Å; D91-N446 VanDerWaalsContact OD2-CG 3.28Å; D91-N446 PolarHBondContact OD2-ND2 2.78Å
92F90Very high87.4Confident6 Ų662.5 Ų62.53%0.02632%0.321CS..  trans-113.8134.2-175.4-61.9-59.6000112.2E89 D96 M97 R100 S445 N467E89-F92 HydrophobicContact CB-CD1 4.32Å; E89-F92 HydrophobicContact CB-CE1 3.29Å; E89-F92 HydrophobicContact CB-CE2 4.5Å; E89-F92 HydrophobicContact CB-CZ 3.45Å; E89-F92 VanDerWaalsContact CB-CZ 3.45Å; E89-F92 HydrophobicContact CG-CE1 4.44Å; E89-F92 WeakPolarHBondContact O-CE2 3.29Å; E89-F92 WeakPolarHBondContact O-CZ 3.4Å; E89-F92 WeakPolarHBondContact OE2-CE1 3.3Å; F92-D96 HydrophobicContact CB-CB 3.96Å; F92-D96 HydrophobicContact CD1-CB 3.89Å; F92-D96 HydrophobicContact CG-CB 4.35Å; F92-M97 HydrophobicContact CB-CE 3.5Å; F92-M97 VanDerWaalsContact CB-CE 3.5Å; F92-M97 HydrophobicContact CB-CG 3.71Å; F92-M97 HydrophobicContact CB-SD 3.89Å; F92-M97 HydrophobicContact CD1-CE 4.12Å; F92-M97 HydrophobicContact CD2-CE 3.09Å; F92-M97 HydrophobicContact CD2-SD 3.96Å; F92-M97 HydrophobicContact CE2-CE 3.71Å; F92-M97 HydrophobicContact CG-CE 3.29Å; F92-M97 HydrophobicContact CG-SD 4.22Å; F92-M97 HydrophobicContact CZ-CE 4.43Å; F92-R100 VanDerWaalsContact CE1-NH2 3.32Å; F92-R100 VanDerWaalsContact CZ-CZ 3.45Å; F92-S445 VanDerWaalsContact C-CB 3.46Å; F92-S445 WeakPolarHBondContact O-CA 3.06Å; F92-N467 HydrophobicContact CB-CB 4.41Å; F92-N467 PolarHBondContact N-ND2 3.01Å
93S92.2Very high87.3Confident17 Ų1764.7 Ų64.712%0.11933%0.328CS..  trans-70.6167.3166.968.70000111.1S95 D96 M97S93-S95 PolarHBondContact O-N 3.47Å; S93-S95 PolarHBondContact OG-N 2.64Å; S93-S95 PolarHBondContact OG-OG 3.23Å; S93-D96 WeakPolarHBondContact CB-OD2 3.43Å; S93-D96 PolarHBondContact N-OD2 2.93Å; S93-D96 PolarHBondContact O-N 3.32Å; S93-D96 PolarHBondContact OG-N 2.74Å; S93-D96 VanDerWaalsContact OG-N 3.16Å; S93-D96 PolarHBondContact OG-OD2 3.29Å; S93-M97 PolarHBondContact O-N 3.27Å
94G91.6Very high87.4Confident1 Ų161.6 Ų61.61%0.0132%0.316CS..Hα-helixtrans-56.5-38171.800000112.3L98 I443 L465G94-L98 VanDerWaalsContact O-CB 3.27Å; G94-L98 WeakPolarHBondContact O-CB 3.43Å; G94-L98 PolarHBondContact O-N 3.08Å; G94-I443 PolarHBondContact N-O 3.46Å; G94-L465 WeakPolarHBondContact CA-O 3.39Å; G94-L465 VanDerWaalsContact O-CD2 3.31Å; G94-L465 WeakPolarHBondContact O-CD2 3.49Å
95S91.8Very high87.6Confident45 Ų4552.1 Ų52.132%0.31528%0.28SS..Hα-helixtrans-65.9-37.217445.30000113.8S93 L98 N99 K441S93-S95 PolarHBondContact O-N 3.47Å; S93-S95 PolarHBondContact OG-N 2.64Å; S93-S95 PolarHBondContact OG-OG 3.23Å; S95-L98 WeakPolarHBondContact O-CB 3.41Å; S95-L98 PolarHBondContact O-N 2.85Å; S95-N99 PolarHBondContact O-N 3.49Å; S95-N99 VanDerWaalsContact O-N 3.12Å; S95-N99 PolarHBondContact O-ND2 3.23Å; S95-K441 PolarHBondContact N-O 2.96Å
96D92.1Very high87.9Confident61 Ų6145.4 Ų45.433%0.32625%0.245SC..Hα-helixtrans-69.9-45.1179.5-59.3-42.8000110.9F92 S93 L98 N99 R100F92-D96 HydrophobicContact CB-CB 3.96Å; F92-D96 HydrophobicContact CD1-CB 3.89Å; F92-D96 HydrophobicContact CG-CB 4.35Å; S93-D96 WeakPolarHBondContact CB-OD2 3.43Å; S93-D96 PolarHBondContact N-OD2 2.93Å; S93-D96 PolarHBondContact O-N 3.32Å; S93-D96 PolarHBondContact OG-N 2.74Å; S93-D96 VanDerWaalsContact OG-N 3.16Å; S93-D96 PolarHBondContact OG-OD2 3.29Å; D96-L98 VanDerWaalsContact C-N 3.27Å; D96-L98 PolarHBondContact O-N 3.41Å; D96-N99 PolarHBondContact O-N 3.17Å; D96-R100 WeakPolarHBondContact O-CB 3.21Å; D96-R100 VanDerWaalsContact O-CG 3.29Å; D96-R100 WeakPolarHBondContact O-CG 3.43Å; D96-R100 PolarHBondContact O-N 3.36Å
97M92.1Very high88.5Confident0 Ų043.4 Ų43.40%024%0.237CC..Hα-helixtrans-59.4-41.5175.4-71.4-69.87600111.9Y47 L49 F92 S93 N99 R100 I101 F464 L465 N467Y47-M97 HydrophobicContact CE1-CE 4.47Å; L49-M97 HydrophobicContact CD1-SD 4.12Å; F92-M97 HydrophobicContact CB-CE 3.5Å; F92-M97 VanDerWaalsContact CB-CE 3.5Å; F92-M97 HydrophobicContact CB-CG 3.71Å; F92-M97 HydrophobicContact CB-SD 3.89Å; F92-M97 HydrophobicContact CD1-CE 4.12Å; F92-M97 HydrophobicContact CD2-CE 3.09Å; F92-M97 HydrophobicContact CD2-SD 3.96Å; F92-M97 HydrophobicContact CE2-CE 3.71Å; F92-M97 HydrophobicContact CG-CE 3.29Å; F92-M97 HydrophobicContact CG-SD 4.22Å; F92-M97 HydrophobicContact CZ-CE 4.43Å; S93-M97 PolarHBondContact O-N 3.27Å; M97-N99 PolarHBondContact O-N 2.65Å; M97-R100 HydrophobicContact CE-CB 4.28Å; M97-R100 PolarHBondContact O-N 3.44Å; M97-I101 HydrophobicContact CB-CD1 4.47Å; M97-I101 VanDerWaalsContact O-CB 3.3Å; M97-I101 WeakPolarHBondContact O-CB 3.28Å; M97-I101 PolarHBondContact O-N 3.23Å; M97-I101 HydrophobicContact SD-CD1 4.27Å; M97-F464 HydrophobicContact CB-CD2 4.28Å; M97-L465 HydrophobicContact CB-CD2 4.28Å; M97-N467 HydrophobicContact CG-CB 3.85Å; M97-N467 HydrophobicContact SD-CB 4.01Å
98L91.5Very high89.7Confident1 Ų142.3 Ų42.31%0.00522%0.223CC..Hα-helixtrans-59.2-48.2176.5179.559.5000112.6L25 G94 S95 D96 L102 F437 K441 L465L25-L98 HydrophobicContact CD1-CD1 4.1Å; L25-L98 HydrophobicContact CD1-CD2 3.42Å; L25-L98 VanDerWaalsContact CD1-CD2 3.42Å; L25-L98 HydrophobicContact CD1-CG 3.49Å; L25-L98 VanDerWaalsContact CD1-CG 3.49Å; G94-L98 VanDerWaalsContact O-CB 3.27Å; G94-L98 WeakPolarHBondContact O-CB 3.43Å; G94-L98 PolarHBondContact O-N 3.08Å; S95-L98 WeakPolarHBondContact O-CB 3.41Å; S95-L98 PolarHBondContact O-N 2.85Å; D96-L98 VanDerWaalsContact C-N 3.27Å; D96-L98 PolarHBondContact O-N 3.41Å; L98-L102 HydrophobicContact CD1-CB 3.75Å; L98-L102 HydrophobicContact CD1-CD2 3.55Å; L98-L102 HydrophobicContact CD1-CG 4.31Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 2.98Å; L98-F437 HydrophobicContact CD1-CE1 3.85Å; L98-F437 HydrophobicContact CD1-CE2 3.82Å; L98-F437 HydrophobicContact CD1-CZ 3.14Å; L98-F437 HydrophobicContact CD2-CD1 4.29Å; L98-F437 HydrophobicContact CD2-CE1 3.56Å; L98-F437 HydrophobicContact CD2-CE2 4.38Å; L98-F437 HydrophobicContact CD2-CZ 3.68Å; L98-F437 HydrophobicContact CG-CE1 4.34Å; L98-F437 HydrophobicContact CG-CZ 4.05Å; L98-K441 HydrophobicContact CD2-CD 4.04Å; L98-K441 HydrophobicContact CD2-CG 3.74Å; L98-L465 HydrophobicContact CB-CD2 3.68Å; L98-L465 HydrophobicContact CD1-CD2 4.32Å
99N91.3Very high91Very high84 Ų8433.2 Ų33.245%0.44918%0.181SC..Hα-helixtrans-68.1-36.9178.9-71-28.6000111.9S95 D96 M97 F103S95-N99 PolarHBondContact O-N 3.49Å; S95-N99 VanDerWaalsContact O-N 3.12Å; S95-N99 PolarHBondContact O-ND2 3.23Å; D96-N99 PolarHBondContact O-N 3.17Å; M97-N99 PolarHBondContact O-N 2.65Å; N99-F103 VanDerWaalsContact O-CB 3.23Å; N99-F103 WeakPolarHBondContact O-CB 3.45Å
100R92.5Very high92.1Very high24 Ų2427.9 Ų27.99%0.09116%0.156CC..Hα-helixtrans-72.3-30.8-178.7-73.9168.9175.2-92.96.8113.1E89 F92 D96 M97E89-R100 IonicContact OE2-CZ 2.63Å; E89-R100 IonicContact OE2-NH2 3.97Å; E89-R100 PolarHBondContact OE2-NH2 3.26Å; F92-R100 VanDerWaalsContact CE1-NH2 3.32Å; F92-R100 VanDerWaalsContact CZ-CZ 3.45Å; D96-R100 WeakPolarHBondContact O-CB 3.21Å; D96-R100 VanDerWaalsContact O-CG 3.29Å; D96-R100 WeakPolarHBondContact O-CG 3.43Å; D96-R100 PolarHBondContact O-N 3.36Å; M97-R100 HydrophobicContact CE-CB 4.28Å; M97-R100 PolarHBondContact O-N 3.44Å
101I93.5Very high93.3Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-103.4-49.1-173.1-69161.7000112.1I39 A43 Y47 L49 I79 M97 F464I39-I101 HydrophobicContact CG2-CG2 3.39Å; A43-I101 HydrophobicContact CB-CD1 3.65Å; A43-I101 HydrophobicContact CB-CG1 4.29Å; A43-I101 HydrophobicContact CB-CG2 4.11Å; Y47-I101 HydrophobicContact CD2-CD1 4.29Å; Y47-I101 HydrophobicContact CD2-CG1 4.1Å; Y47-I101 HydrophobicContact CE2-CG1 3.93Å; L49-I101 HydrophobicContact CD1-CD1 4.38Å; I79-I101 HydrophobicContact CD1-CG2 4.07Å; I79-I101 WeakPolarHBondContact CG1-O 3.28Å; M97-I101 HydrophobicContact CB-CD1 4.47Å; M97-I101 VanDerWaalsContact O-CB 3.3Å; M97-I101 WeakPolarHBondContact O-CB 3.28Å; M97-I101 PolarHBondContact O-N 3.23Å; M97-I101 HydrophobicContact SD-CD1 4.27Å; I101-F464 HydrophobicContact CB-CD2 4.26Å; I101-F464 HydrophobicContact CB-CE2 4.03Å; I101-F464 HydrophobicContact CD1-CB 4.14Å; I101-F464 HydrophobicContact CD1-CD2 3.38Å; I101-F464 HydrophobicContact CD1-CE2 4.01Å; I101-F464 HydrophobicContact CD1-CG 3.97Å; I101-F464 HydrophobicContact CG1-CD2 4.42Å; I101-F464 HydrophobicContact CG2-CD2 4.21Å; I101-F464 HydrophobicContact CG2-CE1 4.46Å; I101-F464 HydrophobicContact CG2-CE2 4Å; I101-F464 HydrophobicContact CG2-CZ 4.16Å
102L93.4Very high94.1Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-84.9-37.2-171.1-170.862.6000113L25 Y35 I39 L98 S105 R106 T172 F437L25-L102 HydrophobicContact CD2-CD2 4.36Å; Y35-L102 HydrophobicContact CE1-CD1 4.33Å; Y35-L102 HydrophobicContact CE1-CD2 4.11Å; I39-L102 HydrophobicContact CD1-CD1 4.24Å; I39-L102 HydrophobicContact CG1-CD1 4.1Å; I39-L102 HydrophobicContact CG2-CD1 4.33Å; L98-L102 HydrophobicContact CD1-CB 3.75Å; L98-L102 HydrophobicContact CD1-CD2 3.55Å; L98-L102 HydrophobicContact CD1-CG 4.31Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 2.98Å; L102-S105 PolarHBondContact O-N 3.08Å; L102-R106 HydrophobicContact CD1-CG 4.16Å; L102-R106 HydrophobicContact CG-CG 4.02Å; L102-R106 WeakPolarHBondContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CG 3.06Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-T172 HydrophobicContact CD1-CG2 3.96Å; L102-F437 HydrophobicContact CD2-CZ 3.86Å
103F93.5Very high94.5Very high57 Ų5723.8 Ų23.825%0.2513%0.132CC..Hα-helixtrans-59.5-46.6-177.3173.9-92000113.1V22 F23 N99 S105 R106 L107V22-F103 HydrophobicContact CG1-CD2 3.75Å; V22-F103 HydrophobicContact CG1-CE2 3.66Å; V22-F103 HydrophobicContact CG1-CZ 4.46Å; F23-F103 AromaticContact CD1-CE2 3.66Å; F23-F103 HydrophobicContact CD1-CE2 3.66Å; F23-F103 HydrophobicContact CD1-CZ 4.21Å; F23-F103 AromaticContact CE1-CE2 3.6Å; F23-F103 HydrophobicContact CE1-CE2 3.6Å; F23-F103 AromaticContact CE1-CZ 3.68Å; F23-F103 HydrophobicContact CE1-CZ 3.68Å; F23-F103 HydrophobicContact CG-CE2 4.33Å; F23-F103 HydrophobicContact CZ-CE2 4.22Å; F23-F103 HydrophobicContact CZ-CZ 4.19Å; N99-F103 VanDerWaalsContact O-CB 3.23Å; N99-F103 WeakPolarHBondContact O-CB 3.45Å; F103-S105 PolarHBondContact O-N 2.95Å; F103-R106 PolarHBondContact O-N 3.16Å; F103-L107 HydrophobicContact CE1-CD2 4.31Å; F103-L107 WeakPolarHBondContact O-CB 3.29Å; F103-L107 PolarHBondContact O-N 2.92Å
104P95.4Very high94.7Very high11 Ų1126 Ų267%0.07114%0.138CC..Hα-helixtrans-60.7-43.7179.9-23.534.9000112.8P78 A82 L107 V108P78-P104 HydrophobicContact CB-CB 3.95Å; P78-P104 WeakPolarHBondContact O-CB 3.38Å; A82-P104 HydrophobicContact CB-CB 3.97Å; A82-P104 HydrophobicContact CB-CG 3.35Å; P104-L107 WeakPolarHBondContact O-CB 3.08Å; P104-L107 PolarHBondContact O-N 3.4Å; P104-V108 PolarHBondContact O-N 3.46Å
105S96.1Very high95Very high0 Ų028.9 Ų28.90%015%0.153CC..Hα-helixtrans-67.5-39.2177.7-67.80000112.7F74 L102 F103 T109F74-S105 WeakPolarHBondContact O-CA 3.24Å; F74-S105 VanDerWaalsContact O-CB 3.27Å; F74-S105 WeakPolarHBondContact O-CB 3.28Å; F74-S105 PolarHBondContact O-OG 2.89Å; L102-S105 PolarHBondContact O-N 3.08Å; F103-S105 PolarHBondContact O-N 2.95Å; S105-T109 WeakPolarHBondContact O-CB 3.43Å; S105-T109 PolarHBondContact O-N 3.33Å; S105-T109 PolarHBondContact O-OG1 3.38Å
106R95.5Very high95.4Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-65.2-38.8173.6-74.9-172171.7-162.5-3.2112V22 L25 E34 L102 F103 T109 V110 T170 T172V22-R106 HydrophobicContact CG1-CB 4.11Å; L25-R106 VanDerWaalsContact CD2-NH1 3.33Å; E34-R106 IonicContact OE1-CZ 3.59Å; E34-R106 IonicContact OE1-NE 3.6Å; E34-R106 IonicContact OE1-NH2 3.33Å; E34-R106 PolarHBondContact OE1-NH2 3.5Å; L102-R106 HydrophobicContact CD1-CG 4.16Å; L102-R106 HydrophobicContact CG-CG 4.02Å; L102-R106 WeakPolarHBondContact O-CB 3.25Å; L102-R106 WeakPolarHBondContact O-CG 3.06Å; L102-R106 PolarHBondContact O-N 2.88Å; F103-R106 PolarHBondContact O-N 3.16Å; R106-T109 PolarHBondContact O-N 3.39Å; R106-V110 PolarHBondContact O-N 3.05Å; R106-T170 WeakPolarHBondContact CD-O 3.32Å; R106-T170 WeakPolarHBondContact CG-O 3.46Å; R106-T172 HydrophobicContact CG-CG2 3.89Å
107L95.9Very high95.7Very high50 Ų5023.9 Ų23.926%0.26212%0.122SC..Hα-helixtrans-60.5-51176179.461.5000111.2F19 V22 F103 P104 T109 V110 L111F19-L107 HydrophobicContact CE2-CD1 3.79Å; F19-L107 HydrophobicContact CZ-CD1 4.3Å; V22-L107 HydrophobicContact CG1-CB 4.19Å; F103-L107 HydrophobicContact CE1-CD2 4.31Å; F103-L107 WeakPolarHBondContact O-CB 3.29Å; F103-L107 PolarHBondContact O-N 2.92Å; P104-L107 WeakPolarHBondContact O-CB 3.08Å; P104-L107 PolarHBondContact O-N 3.4Å; L107-T109 VanDerWaalsContact C-N 3.27Å; L107-T109 PolarHBondContact O-N 2.95Å; L107-V110 PolarHBondContact O-N 2.94Å; L107-L111 HydrophobicContact CD1-CD1 4.33Å; L107-L111 HydrophobicContact CD1-CG 4.39Å; L107-L111 HydrophobicContact CG-CD1 4.22Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.2Å
108V97.4Very high95.9Very high47 Ų4726.8 Ų26.829%0.28514%0.138SC..Hα-helixtrans-60.2-39.8175.91720000111.4F74 P78 P104 L111 G112F74-V108 HydrophobicContact CD1-CG1 4.07Å; P78-V108 HydrophobicContact CB-CG2 3.71Å; P78-V108 HydrophobicContact CG-CG2 4.08Å; P104-V108 PolarHBondContact O-N 3.46Å; V108-L111 PolarHBondContact O-N 3.41Å; V108-G112 PolarHBondContact O-N 3.34Å
109T97.2Very high96.2Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-62.8-44.3178.3-54.50000112S105 R106 L107 G112 S113 R171 V176 W177S105-T109 WeakPolarHBondContact O-CB 3.43Å; S105-T109 PolarHBondContact O-N 3.33Å; S105-T109 PolarHBondContact O-OG1 3.38Å; R106-T109 PolarHBondContact O-N 3.39Å; L107-T109 VanDerWaalsContact C-N 3.27Å; L107-T109 PolarHBondContact O-N 2.95Å; T109-G112 PolarHBondContact O-N 3.35Å; T109-S113 WeakPolarHBondContact O-CB 3.29Å; T109-S113 PolarHBondContact O-N 3.31Å; T109-R171 WeakPolarHBondContact CG2-O 3.13Å; T109-V176 HydrophobicContact CG2-CG1 3.73Å; T109-W177 PolarHBondContact OG1-NE1 3.23Å
110V97.4Very high96.5Very high0 Ų023 Ų230%012%0.117CC..Hα-helixtrans-66.3-42.6176.6169.20000111.9R18 F19 V22 R106 L107 G112 S113 Y114 T170R18-V110 HydrophobicContact CG-CG1 4.21Å; R18-V110 HydrophobicContact CG-CG2 4.49Å; F19-V110 HydrophobicContact CD2-CG1 4.13Å; V22-V110 HydrophobicContact CG2-CB 3.78Å; V22-V110 HydrophobicContact CG2-CG1 4.23Å; V22-V110 HydrophobicContact CG2-CG2 3.31Å; R106-V110 PolarHBondContact O-N 3.05Å; L107-V110 PolarHBondContact O-N 2.94Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 2.89Å; V110-S113 WeakPolarHBondContact O-CB 3.42Å; V110-S113 PolarHBondContact O-N 2.94Å; V110-S113 VanDerWaalsContact O-N 3.12Å; V110-S113 PolarHBondContact O-OG 3.29Å; V110-Y114 HydrophobicContact CG1-CE1 4.37Å; V110-Y114 HydrophobicContact CG1-CE2 4.4Å; V110-Y114 PolarHBondContact O-N 3.41Å; V110-T170 HydrophobicContact CG2-CG2 3.68Å
111L97.5Very high96.7Very high90 Ų9022.4 Ų22.447%0.47112%0.116SC..Hα-helixtrans-61-43.9176-67.6175.1000111.3L107 V108 S113 Y114L107-L111 HydrophobicContact CD1-CD1 4.33Å; L107-L111 HydrophobicContact CD1-CG 4.39Å; L107-L111 HydrophobicContact CG-CD1 4.22Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.2Å; V108-L111 PolarHBondContact O-N 3.41Å; L111-S113 VanDerWaalsContact C-N 3.29Å; L111-S113 PolarHBondContact O-N 2.93Å; L111-Y114 HydrophobicContact CD2-CD2 4.49Å; L111-Y114 HydrophobicContact CD2-CE2 4.25Å; L111-Y114 PolarHBondContact O-N 2.81Å
112G98Very high96.7Very high10 Ų1022.9 Ų22.910%0.10312%0.119CC..Hα-helixtrans-64.6-32.7174.400000112.7V108 T109 V110 Y114 L115V108-G112 PolarHBondContact O-N 3.34Å; T109-G112 PolarHBondContact O-N 3.35Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 2.89Å; G112-Y114 PolarHBondContact O-N 2.79Å; G112-L115 VanDerWaalsContact O-CB 3.24Å; G112-L115 WeakPolarHBondContact O-CB 3.37Å; G112-L115 PolarHBondContact O-N 2.89Å
113S97.8Very high96.7Very high1 Ų123.6 Ų23.61%0.00712%0.124CC..Hα-helixtrans-61.3-25.917782.60000113.5R18 T109 V110 L111 L115 V116 D117R18-S113 VanDerWaalsContact CD-OG 3.27Å; R18-S113 WeakPolarHBondContact CD-OG 3.18Å; R18-S113 PolarHBondContact NH1-O 2.98Å; R18-S113 PolarHBondContact NH1-OG 3.32Å; T109-S113 WeakPolarHBondContact O-CB 3.29Å; T109-S113 PolarHBondContact O-N 3.31Å; V110-S113 WeakPolarHBondContact O-CB 3.42Å; V110-S113 PolarHBondContact O-N 2.94Å; V110-S113 VanDerWaalsContact O-N 3.12Å; V110-S113 PolarHBondContact O-OG 3.29Å; L111-S113 VanDerWaalsContact C-N 3.29Å; L111-S113 PolarHBondContact O-N 2.93Å; S113-L115 PolarHBondContact O-N 3.09Å; S113-V116 WeakPolarHBondContact O-CB 3.49Å; S113-V116 PolarHBondContact O-N 2.94Å; S113-D117 PolarHBondContact O-N 3.14Å; S113-D117 VanDerWaalsContact O-OD2 3.07Å
114Y98.1Very high96.6Very high65 Ų6521.1 Ų21.126%0.25511%0.114SC..Hα-helixtrans-69.8-22174.8-59-34000113.1L15 V110 L111 G112 V116 D117 L118L15-Y114 HydrophobicContact CB-CE1 4.35Å; L15-Y114 HydrophobicContact CD2-CD1 3.9Å; L15-Y114 HydrophobicContact CD2-CE1 3.75Å; L15-Y114 PolarHBondContact O-OH 2.91Å; V110-Y114 HydrophobicContact CG1-CE1 4.37Å; V110-Y114 HydrophobicContact CG1-CE2 4.4Å; V110-Y114 PolarHBondContact O-N 3.41Å; L111-Y114 HydrophobicContact CD2-CD2 4.49Å; L111-Y114 HydrophobicContact CD2-CE2 4.25Å; L111-Y114 PolarHBondContact O-N 2.81Å; G112-Y114 PolarHBondContact O-N 2.79Å; Y114-V116 PolarHBondContact O-N 2.84Å; Y114-D117 PolarHBondContact O-N 3.44Å; Y114-L118 WeakPolarHBondContact O-CB 3.3Å; Y114-L118 PolarHBondContact O-N 3.28Å
115L98Very high96.3Very high60 Ų6021.2 Ų21.231%0.31411%0.113SC..Hα-helixtrans-66.3-28.9169.8-60.7175000111.3G112 S113 L118 F119 I180G112-L115 VanDerWaalsContact O-CB 3.24Å; G112-L115 WeakPolarHBondContact O-CB 3.37Å; G112-L115 PolarHBondContact O-N 2.89Å; S113-L115 PolarHBondContact O-N 3.09Å; L115-L118 PolarHBondContact O-N 3.47Å; L115-F119 WeakPolarHBondContact O-CB 3.23Å; L115-F119 PolarHBondContact O-N 2.83Å; L115-I180 HydrophobicContact CD1-CG2 4.22Å
116V98.6Very high95.9Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-68.4-46.9174.3-173.30000110.6S113 Y114 L118 F119 I120 Y158 I180 S183 P384S113-V116 WeakPolarHBondContact O-CB 3.49Å; S113-V116 PolarHBondContact O-N 2.94Å; Y114-V116 PolarHBondContact O-N 2.84Å; V116-L118 VanDerWaalsContact C-N 3.31Å; V116-L118 PolarHBondContact O-N 2.97Å; V116-F119 PolarHBondContact O-N 3.26Å; V116-I120 HydrophobicContact CG1-CD1 4.21Å; V116-I120 WeakPolarHBondContact O-CG1 3.46Å; V116-I120 PolarHBondContact O-N 3.01Å; V116-Y158 HydrophobicContact CB-CE1 3.89Å; V116-Y158 HydrophobicContact CB-CE2 4.45Å; V116-Y158 WeakPolarHBondContact CB-OH 3.17Å; V116-Y158 HydrophobicContact CG1-CD1 4.38Å; V116-Y158 HydrophobicContact CG1-CD2 4.26Å; V116-Y158 HydrophobicContact CG1-CE1 3.77Å; V116-Y158 HydrophobicContact CG1-CE2 3.63Å; V116-Y158 WeakPolarHBondContact CG1-OH 3.25Å; V116-I180 HydrophobicContact CG2-CG1 4.23Å; V116-S183 WeakPolarHBondContact CA-OG 3.36Å; V116-S183 WeakPolarHBondContact CG2-OG 3.27Å; V116-P384 HydrophobicContact CG1-CB 4.04Å; V116-P384 HydrophobicContact CG1-CG 3.52Å
117D98.3Very high95.4Very high1 Ų124.5 Ų24.51%0.00513%0.13CC..Hα-helixtrans-60.2-43.6173.6-58-92.1000111.1Y11 R18 S113 Y114 F119 I120 L121 L155 Y158Y11-D117 WeakPolarHBondContact OH-CB 3.47Å; R18-D117 IonicContact CZ-OD1 3.07Å; R18-D117 IonicContact CZ-OD2 3.91Å; R18-D117 IonicContact NH1-OD1 3.62Å; R18-D117 IonicContact NH1-OD2 3.36Å; R18-D117 PolarHBondContact NH1-OD2 3.37Å; R18-D117 IonicContact NH2-OD1 3.19Å; R18-D117 PolarHBondContact NH2-OD1 2.91Å; R18-D117 VanDerWaalsContact NH2-OD1 3.09Å; R18-D117 IonicContact NH2-OD2 2.93Å; R18-D117 PolarHBondContact NH2-OD2 3.33Å; S113-D117 PolarHBondContact O-N 3.14Å; S113-D117 VanDerWaalsContact O-OD2 3.07Å; Y114-D117 PolarHBondContact O-N 3.44Å; D117-F119 VanDerWaalsContact C-N 3.32Å; D117-F119 PolarHBondContact O-N 2.83Å; D117-I120 PolarHBondContact O-N 3.45Å; D117-L121 WeakPolarHBondContact O-CB 3.44Å; D117-L121 PolarHBondContact O-N 3.49Å; D117-L155 HydrophobicContact CB-CD2 3.99Å; D117-L155 VanDerWaalsContact O-CD2 3.26Å; D117-L155 WeakPolarHBondContact O-CD2 3.4Å; D117-Y158 VanDerWaalsContact OD1-CD1 3.29Å; D117-Y158 WeakPolarHBondContact OD1-CD1 3.34Å
118L97.3Very high94.6Very high62 Ų6224.6 Ų24.633%0.32513%0.131SC..Hα-helixtrans-60-42.2177.3-177.561.3000111.7Y114 L115 V116 L121 C122 I142 L187Y114-L118 WeakPolarHBondContact O-CB 3.3Å; Y114-L118 PolarHBondContact O-N 3.28Å; L115-L118 PolarHBondContact O-N 3.47Å; V116-L118 VanDerWaalsContact C-N 3.31Å; V116-L118 PolarHBondContact O-N 2.97Å; L118-L121 PolarHBondContact O-N 3.28Å; L118-C122 WeakPolarHBondContact O-CB 3.44Å; L118-C122 PolarHBondContact O-N 3.03Å; L118-C122 PolarHBondContact O-SG 3.45Å; L118-I142 HydrophobicContact CD1-CD1 3.79Å; L118-L187 HydrophobicContact CB-CD1 4.47Å; L118-L187 HydrophobicContact CD2-CD1 4.07Å; L118-L187 HydrophobicContact CD2-CD2 4.38Å; L118-L187 HydrophobicContact CG-CD1 4.25Å; L118-L187 HydrophobicContact CG-CD2 3.99Å
119F98.1Very high93.1Very high4 Ų424.1 Ų24.12%0.01813%0.126CC..Hα-helixtrans-60.1-50.1175.2174.3-129.3000111.7L115 V116 D117 L121 C122 C123 L187 L190 P384 Y385L115-F119 WeakPolarHBondContact O-CB 3.23Å; L115-F119 PolarHBondContact O-N 2.83Å; V116-F119 PolarHBondContact O-N 3.26Å; D117-F119 VanDerWaalsContact C-N 3.32Å; D117-F119 PolarHBondContact O-N 2.83Å; F119-L121 VanDerWaalsContact C-N 3.33Å; F119-L121 PolarHBondContact O-N 3.33Å; F119-C122 PolarHBondContact O-N 2.91Å; F119-C123 WeakPolarHBondContact CE2-SG 3.5Å; F119-C123 PolarHBondContact O-N 3.33Å; F119-C123 PolarHBondContact O-SG 2.88Å; F119-C123 VanDerWaalsContact O-SG 3.41Å; F119-L187 HydrophobicContact CB-CD1 4.42Å; F119-L187 HydrophobicContact CB-CD2 4.28Å; F119-L187 HydrophobicContact CB-CG 3.98Å; F119-L187 HydrophobicContact CD2-CG 4.34Å; F119-L190 HydrophobicContact CD2-CD1 4.32Å; F119-L190 HydrophobicContact CE2-CD1 4.23Å; F119-P384 HydrophobicContact CD1-CB 3.89Å; F119-P384 HydrophobicContact CE1-CB 4.04Å; F119-Y385 HydrophobicContact CE1-CD1 4.33Å; F119-Y385 AromaticContact CE1-CE1 3.87Å; F119-Y385 HydrophobicContact CE1-CE1 3.87Å; F119-Y385 HydrophobicContact CZ-CD1 4.34Å; F119-Y385 AromaticContact CZ-CE1 3.68Å; F119-Y385 HydrophobicContact CZ-CE1 3.68Å
120I97.7Very high91.4Very high0 Ų030.1 Ų30.10%015%0.154CC..Hα-helixtrans-58.8-45177.7-65.7168.2000110.8V116 D117 C122 C123 C124 A154 L155 Y158 P384 C387V116-I120 HydrophobicContact CG1-CD1 4.21Å; V116-I120 WeakPolarHBondContact O-CG1 3.46Å; V116-I120 PolarHBondContact O-N 3.01Å; D117-I120 PolarHBondContact O-N 3.45Å; I120-C122 PolarHBondContact O-N 3.25Å; I120-C123 WeakPolarHBondContact O-CB 3.46Å; I120-C123 PolarHBondContact O-N 2.89Å; I120-C124 PolarHBondContact O-N 3.27Å; I120-C124 PolarHBondContact O-SG 3.4Å; I120-A154 HydrophobicContact CG2-CB 3.56Å; I120-L155 HydrophobicContact CB-CD2 3.99Å; I120-L155 HydrophobicContact CG2-CD2 3.88Å; I120-L155 HydrophobicContact CG2-CG 4.37Å; I120-Y158 HydrophobicContact CD1-CD1 3.98Å; I120-Y158 HydrophobicContact CD1-CD2 4.06Å; I120-Y158 HydrophobicContact CD1-CG 3.57Å; I120-P384 HydrophobicContact CD1-CB 4.18Å; I120-P384 HydrophobicContact CG1-CB 3.94Å; I120-C387 HydrophobicContact CD1-CB 4.29Å
121L95.6Very high89.3Confident13 Ų1339 Ų397%0.06820%0.195CC..Hα-helixtrans-60.8-45.3177179.556.2000111.4W8 D117 L118 F119 C123 C124 I125 I142 P152 L155W8-L121 HydrophobicContact CH2-CD1 4.1Å; W8-L121 HydrophobicContact CH2-CD2 4.36Å; D117-L121 WeakPolarHBondContact O-CB 3.44Å; D117-L121 PolarHBondContact O-N 3.49Å; L118-L121 PolarHBondContact O-N 3.28Å; F119-L121 VanDerWaalsContact C-N 3.33Å; F119-L121 PolarHBondContact O-N 3.33Å; L121-C123 VanDerWaalsContact C-N 3.35Å; L121-C123 PolarHBondContact O-N 3.39Å; L121-C124 PolarHBondContact O-N 2.94Å; L121-I125 HydrophobicContact CD1-CD1 3.91Å; L121-I125 HydrophobicContact CD1-CG1 4.15Å; L121-I125 HydrophobicContact CG-CD1 3.84Å; L121-I125 HydrophobicContact CG-CG1 4.48Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.35Å; L121-I125 PolarHBondContact O-N 2.97Å; L121-I142 HydrophobicContact CD2-CG2 4.12Å; L121-P152 HydrophobicContact CD1-CG 4.09Å; L121-L155 HydrophobicContact CB-CD1 4.16Å; L121-L155 HydrophobicContact CB-CD2 4.27Å; L121-L155 HydrophobicContact CD1-CD1 4.07Å; L121-L155 HydrophobicContact CG-CD1 4.49Å
122C93.5Very high87.5Confident9 Ų936.1 Ų36.16%0.06118%0.181CC..Hα-helixtrans-63.5-38177.5-73.80000112.4L118 F119 I120 I125 H126 L187 L190L118-C122 WeakPolarHBondContact O-CB 3.44Å; L118-C122 PolarHBondContact O-N 3.03Å; L118-C122 PolarHBondContact O-SG 3.45Å; F119-C122 PolarHBondContact O-N 2.91Å; I120-C122 PolarHBondContact O-N 3.25Å; C122-I125 PolarHBondContact O-N 3.35Å; C122-H126 VanDerWaalsContact O-CB 3.3Å; C122-H126 WeakPolarHBondContact O-CB 3.22Å; C122-H126 PolarHBondContact O-N 3.43Å; C122-L187 HydrophobicContact CB-CD2 4.06Å; C122-L190 HydrophobicContact CB-CD1 3.7Å
123C93.7Very high85.3Confident16 Ų1638.6 Ų38.611%0.10820%0.197CC..Hα-helixtrans-60.7-46.6172-70.60000111.8F119 I120 L121 H126 V127 F388F119-C123 WeakPolarHBondContact CE2-SG 3.5Å; F119-C123 PolarHBondContact O-N 3.33Å; F119-C123 PolarHBondContact O-SG 2.88Å; F119-C123 VanDerWaalsContact O-SG 3.41Å; I120-C123 WeakPolarHBondContact O-CB 3.46Å; I120-C123 PolarHBondContact O-N 2.89Å; L121-C123 VanDerWaalsContact C-N 3.35Å; L121-C123 PolarHBondContact O-N 3.39Å; C123-H126 PolarHBondContact O-N 2.89Å; C123-V127 PolarHBondContact O-N 2.86Å; C123-F388 HydrophobicContact CB-CD2 3.51Å; C123-F388 HydrophobicContact CB-CE2 3.7Å; C123-F388 HydrophobicContact CB-CG 3.96Å; C123-F388 HydrophobicContact CB-CZ 4.28Å
124C92.2Very high83.7Confident5 Ų541.5 Ų41.53%0.03422%0.221CC..Hα-helixtrans-60.4-46.7177.4-680000111.8I120 L121 V127 D128 P152I120-C124 PolarHBondContact O-N 3.27Å; I120-C124 PolarHBondContact O-SG 3.4Å; L121-C124 PolarHBondContact O-N 2.94Å; C124-V127 PolarHBondContact O-N 3.23Å; C124-D128 WeakPolarHBondContact O-CB 3.47Å; C124-D128 PolarHBondContact O-N 3.38Å; C124-P152 HydrophobicContact CB-CB 4.01Å; C124-P152 HydrophobicContact CB-CG 3.88Å
125I89.4Confident82.2Confident13 Ų1347.3 Ų47.37%0.06725%0.247CC..Hα-helixtrans-62.6-44.1178.1-68.9170000111L121 C122 V127 H129 K141 I142 A145L121-I125 HydrophobicContact CD1-CD1 3.91Å; L121-I125 HydrophobicContact CD1-CG1 4.15Å; L121-I125 HydrophobicContact CG-CD1 3.84Å; L121-I125 HydrophobicContact CG-CG1 4.48Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.35Å; L121-I125 PolarHBondContact O-N 2.97Å; C122-I125 PolarHBondContact O-N 3.35Å; I125-V127 VanDerWaalsContact C-N 3.27Å; I125-V127 PolarHBondContact O-N 3.47Å; I125-H129 HydrophobicContact CG2-CB 4.35Å; I125-H129 WeakPolarHBondContact O-CA 3.25Å; I125-H129 VanDerWaalsContact O-CB 3.28Å; I125-H129 WeakPolarHBondContact O-CB 3.47Å; I125-H129 PolarHBondContact O-N 2.97Å; I125-K141 HydrophobicContact CG2-CB 4.02Å; I125-I142 HydrophobicContact CD1-CB 4.38Å; I125-I142 HydrophobicContact CD1-CG1 3.78Å; I125-A145 HydrophobicContact CD1-CB 3.71Å; I125-A145 HydrophobicContact CG1-CB 3.83Å
126H86.5Confident81.2Confident40 Ų4046.6 Ų46.619%0.18524%0.244CC..Hα-helixtrans-59-39.2-179.517779.6000112C122 C123 L190C122-H126 VanDerWaalsContact O-CB 3.3Å; C122-H126 WeakPolarHBondContact O-CB 3.22Å; C122-H126 PolarHBondContact O-N 3.43Å; C123-H126 PolarHBondContact O-N 2.89Å; H126-L190 HydrophobicContact CB-CD2 4.41Å
127V85.4Confident80.3Confident28 Ų2850.1 Ų50.117%0.1727%0.265CS..Hα-helixtrans-80.4-50.7179.1176.60000113.3C123 C124 I125 H129 S353 F388 H392C123-V127 PolarHBondContact O-N 2.86Å; C124-V127 PolarHBondContact O-N 3.23Å; I125-V127 VanDerWaalsContact C-N 3.27Å; I125-V127 PolarHBondContact O-N 3.47Å; V127-H129 VanDerWaalsContact C-N 3.33Å; V127-H129 PolarHBondContact O-N 3.3Å; V127-S353 VanDerWaalsContact CG2-CB 3.43Å; V127-F388 HydrophobicContact CG2-CE2 4.23Å; V127-F388 HydrophobicContact CG2-CZ 3.73Å; V127-H392 VanDerWaalsContact CG1-CE1 3.48Å; V127-H392 WeakPolarHBondContact CG1-CE1 3.35Å
128D78.3Confident79.5Confident53 Ų5352.7 Ų52.728%0.28328%0.275SS..Hα-helixtrans-75.9-24.1-173.2-80-11.3000112.1C124 H392 R399C124-D128 WeakPolarHBondContact O-CB 3.47Å; C124-D128 PolarHBondContact O-N 3.38Å; D128-H392 IonicContact OD1-CE1 3.15Å; D128-H392 PolarHBondContact OD1-CE1 2.92Å; D128-H392 VanDerWaalsContact OD1-CE1 3.24Å; D128-H392 IonicContact OD1-ND1 3.61Å; D128-H392 PolarHBondContact OD1-ND1 3.27Å; D128-R399 IonicContact OD1-CZ 3.69Å; D128-R399 IonicContact OD1-NH1 3.49Å; D128-R399 IonicContact OD1-NH2 2.63Å; D128-R399 PolarHBondContact OD1-NH2 3.34Å; D128-R399 IonicContact OD2-CZ 3.5Å; D128-R399 IonicContact OD2-NH1 2.78Å; D128-R399 PolarHBondContact OD2-NH1 3.41Å; D128-R399 IonicContact OD2-NH2 3.55Å
129H67.5Low78.9Confident37 Ų3755.5 Ų55.517%0.17129%0.289CS..THydrogen-bonded Turntrans-124.628-171.9-63-58.9000114.3I125 V127 Q131 V132 H149I125-H129 HydrophobicContact CG2-CB 4.35Å; I125-H129 WeakPolarHBondContact O-CA 3.25Å; I125-H129 VanDerWaalsContact O-CB 3.28Å; I125-H129 WeakPolarHBondContact O-CB 3.47Å; I125-H129 PolarHBondContact O-N 2.97Å; V127-H129 VanDerWaalsContact C-N 3.33Å; V127-H129 PolarHBondContact O-N 3.3Å; H129-Q131 PolarHBondContact O-N 3.5Å; H129-V132 HydrophobicContact CB-CB 4.04Å; H129-V132 HydrophobicContact CB-CG2 3.62Å; H129-V132 WeakPolarHBondContact O-CB 3.49Å; H129-V132 PolarHBondContact O-N 3.34Å; H129-H149 AromaticContact CE1-CD2 3.57Å; H129-H149 AromaticContact CE1-CE1 3.26Å; H129-H149 PolarHBondContact CE1-CE1 2.61Å; H129-H149 AromaticContact CE1-CG 3.86Å; H129-H149 AromaticContact CE1-ND1 3.67Å; H129-H149 AromaticContact CE1-NE2 3.15Å; H129-H149 PolarHBondContact CE1-NE2 2.94Å; H129-H149 AromaticContact ND1-NE2 3.98Å; H129-H149 AromaticContact NE2-CD2 3.55Å; H129-H149 AromaticContact NE2-CE1 3.89Å; H129-H149 AromaticContact NE2-CG 3.71Å; H129-H149 AromaticContact NE2-ND1 3.9Å; H129-H149 AromaticContact NE2-NE2 3.66Å
130H60.1Low78.3Confident125 Ų12562.5 Ų62.558%0.57932%0.315SS*.THydrogen-bonded Turntrans-52.3-28.1174.5-168.5-78.6000112.9
131Q52.8Low77.7Confident188 Ų18864.1 Ų64.188%0.87932%0.322SS*.THydrogen-bonded Turntrans-86.6-13.7177.5-65.8-175.8-5.300115H129 S133H129-Q131 PolarHBondContact O-N 3.5Å; Q131-S133 PolarHBondContact O-N 2.94Å
132V59.6Low77.3Confident29 Ų2965.1 Ų65.118%0.17633%0.327CS..SBendtrans-62.3111.9172.6169.30000106.5H129 A134 L136H129-V132 HydrophobicContact CB-CB 4.04Å; H129-V132 HydrophobicContact CB-CG2 3.62Å; H129-V132 WeakPolarHBondContact O-CB 3.49Å; H129-V132 PolarHBondContact O-N 3.34Å; V132-A134 PolarHBondContact O-N 2.88Å; V132-L136 HydrophobicContact CG1-CD1 3.63Å
133S52.4Low77Confident62 Ų6269.7 Ų69.743%0.43435%0.351SS..  trans-21.7117.2-166.8-175.30000112.7Q131 K135 L136Q131-S133 PolarHBondContact O-N 2.94Å; S133-K135 PolarHBondContact O-N 3.35Å; S133-K135 WeakPolarHBondContact OG-CB 3.38Å; S133-L136 PolarHBondContact O-N 2.98Å
134A63.7Low76.6Confident61 Ų6171.9 Ų71.950%0.50436%0.359SS..THydrogen-bonded Turntrans-48.8-16.2174.900000112.8V132 R198V132-A134 PolarHBondContact O-N 2.88Å; A134-R198 PolarHBondContact O-NE 3.08Å; A134-R198 PolarHBondContact O-NH2 3.24Å
135K68.5Low76.3Confident188 Ų18871.9 Ų71.982%0.81736%0.359SS*.THydrogen-bonded Turntrans-73.4-13.9174.9-57.4-174.5178.6-177.30115.6S133S133-K135 PolarHBondContact O-N 3.35Å; S133-K135 WeakPolarHBondContact OG-CB 3.38Å
136L75.7Confident76.1Confident45 Ų4573.8 Ų73.824%0.23637%0.372CS..SBendtrans-82138.9-179.7-68.4-175.9000112.5V132 S133 R140 K141 R198V132-L136 HydrophobicContact CG1-CD1 3.63Å; S133-L136 PolarHBondContact O-N 2.98Å; L136-R140 HydrophobicContact CB-CB 4.24Å; L136-R140 HydrophobicContact CD2-CB 4.17Å; L136-K141 HydrophobicContact CB-CG 4.05Å; L136-K141 WeakPolarHBondContact O-CE 3.25Å; L136-R198 PolarHBondContact O-NH2 3.38Å
137T79.3Confident76Confident73 Ų7377.1 Ų77.145%0.44839%0.387SS..  trans-66.6157.7169.463.40000110.9I139 R140 K141T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.14Å; T137-R140 PolarHBondContact O-N 3.22Å; T137-R140 WeakPolarHBondContact OG1-CG 3.47Å; T137-K141 PolarHBondContact O-N 3.34Å
138R82.1Confident75.9Confident55 Ų5582 Ų8221%0.20840%0.403CS..Hα-helixtrans-55.5-42.9179.3-172.7175.3-65.7-153.9-9.9112.9R140 K141 I142 L187 L190 E191R138-R140 VanDerWaalsContact C-N 3.31Å; R138-R140 PolarHBondContact O-N 2.98Å; R138-K141 WeakPolarHBondContact O-CB 3.47Å; R138-K141 PolarHBondContact O-N 3Å; R138-I142 HydrophobicContact CG-CD1 4.11Å; R138-I142 WeakPolarHBondContact O-CG1 3.41Å; R138-I142 PolarHBondContact O-N 2.66Å; R138-L187 PolarHBondContact NH1-O 2.96Å; R138-L190 PolarHBondContact NH2-O 3.46Å; R138-E191 IonicContact CZ-OE2 3.92Å; R138-E191 IonicContact NE-OE2 2.8Å; R138-E191 PolarHBondContact NE-OE2 3.12Å; R138-E191 VanDerWaalsContact NH2-CB 3.31Å; R138-E191 IonicContact NH2-OE2 3.88Å; R138-E191 PolarHBondContact NH2-OE2 3.24Å
139I84.9Confident76.2Confident122 Ų12282.7 Ų82.763%0.62641%0.405SS*.Hα-helixtrans-58.5-44.7176.7-64.1171.1000110.5T137 I142 L143T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.14Å; I139-I142 PolarHBondContact O-N 3.23Å; I139-L143 HydrophobicContact CG2-CD1 4.05Å; I139-L143 HydrophobicContact CG2-CG 4.41Å; I139-L143 WeakPolarHBondContact O-CG 3.38Å; I139-L143 PolarHBondContact O-N 3.2Å
140R85.3Confident77.2Confident150 Ų15084.4 Ų84.457%0.56642%0.421SS*.Hα-helixtrans-66.7-37.9177.6-70.5-179.8-178.6175.7-0.5112.5L136 T137 R138 I142 L143 H144L136-R140 HydrophobicContact CB-CB 4.24Å; L136-R140 HydrophobicContact CD2-CB 4.17Å; T137-R140 PolarHBondContact O-N 3.22Å; T137-R140 WeakPolarHBondContact OG1-CG 3.47Å; R138-R140 VanDerWaalsContact C-N 3.31Å; R138-R140 PolarHBondContact O-N 2.98Å; R140-I142 VanDerWaalsContact C-N 3.31Å; R140-I142 PolarHBondContact O-N 3.29Å; R140-L143 PolarHBondContact O-N 3.4Å; R140-H144 VanDerWaalsContact O-CB 3.27Å; R140-H144 WeakPolarHBondContact O-CB 3.43Å; R140-H144 PolarHBondContact O-N 3.39Å
141K85.1Confident78.8Confident35 Ų3578.9 Ų78.915%0.15240%0.396CS..Hα-helixtrans-60.6-41.7173.1-66.7-179.6-179.3178.40111I125 L136 T137 R138 A145 D194I125-K141 HydrophobicContact CG2-CB 4.02Å; L136-K141 HydrophobicContact CB-CG 4.05Å; L136-K141 WeakPolarHBondContact O-CE 3.25Å; T137-K141 PolarHBondContact O-N 3.34Å; R138-K141 WeakPolarHBondContact O-CB 3.47Å; R138-K141 PolarHBondContact O-N 3Å; K141-A145 WeakPolarHBondContact O-CB 3.4Å; K141-A145 PolarHBondContact O-N 2.93Å; K141-D194 IonicContact NZ-OD1 3.44Å; K141-D194 PolarHBondContact NZ-OD1 3.05Å; K141-D194 IonicContact NZ-OD2 2.67Å
142I87.4Confident80.8Confident34 Ų3470.7 Ų70.717%0.17436%0.36CS..Hα-helixtrans-65.6-49.7176.5-68.5164.9000111.2L118 L121 I125 R138 I139 R140 H144 A145 V146L118-I142 HydrophobicContact CD1-CD1 3.79Å; L121-I142 HydrophobicContact CD2-CG2 4.12Å; I125-I142 HydrophobicContact CD1-CB 4.38Å; I125-I142 HydrophobicContact CD1-CG1 3.78Å; R138-I142 HydrophobicContact CG-CD1 4.11Å; R138-I142 WeakPolarHBondContact O-CG1 3.41Å; R138-I142 PolarHBondContact O-N 2.66Å; I139-I142 PolarHBondContact O-N 3.23Å; R140-I142 VanDerWaalsContact C-N 3.31Å; R140-I142 PolarHBondContact O-N 3.29Å; I142-H144 VanDerWaalsContact C-N 3.31Å; I142-H144 PolarHBondContact O-N 3.39Å; I142-A145 WeakPolarHBondContact O-CB 3.33Å; I142-A145 PolarHBondContact O-N 3.16Å; I142-A145 VanDerWaalsContact O-N 3.09Å; I142-V146 HydrophobicContact CG2-CG2 4.38Å; I142-V146 WeakPolarHBondContact O-CG2 3.47Å; I142-V146 PolarHBondContact O-N 3.33Å
143L87.2Confident82.4Confident105 Ų10570.9 Ų70.955%0.5536%0.361SS..Hα-helixtrans-58.1-45.6178.7-70172.6000111.2I139 R140 A145 V146 E147I139-L143 HydrophobicContact CG2-CD1 4.05Å; I139-L143 HydrophobicContact CG2-CG 4.41Å; I139-L143 WeakPolarHBondContact O-CG 3.38Å; I139-L143 PolarHBondContact O-N 3.2Å; R140-L143 PolarHBondContact O-N 3.4Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 2.75Å; L143-V146 PolarHBondContact O-N 3.13Å; L143-E147 VanDerWaalsContact O-CB 3.27Å; L143-E147 WeakPolarHBondContact O-CB 3.43Å; L143-E147 PolarHBondContact O-N 3.08Å
144H85.3Confident84.5Confident61 Ų6167.9 Ų67.928%0.28234%0.34SS..Hα-helixtrans-61.1-40.7175.2-174.1-74.9000112.2R140 I142 E147 Y148 H149R140-H144 VanDerWaalsContact O-CB 3.27Å; R140-H144 WeakPolarHBondContact O-CB 3.43Å; R140-H144 PolarHBondContact O-N 3.39Å; I142-H144 VanDerWaalsContact C-N 3.31Å; I142-H144 PolarHBondContact O-N 3.39Å; H144-E147 PolarHBondContact O-N 3.47Å; H144-Y148 AromaticContact CD2-CD2 3.61Å; H144-Y148 AromaticContact CD2-CE2 3.85Å; H144-Y148 AromaticContact CE1-CD2 3.84Å; H144-Y148 AromaticContact CG-CD2 3.81Å; H144-Y148 AromaticContact ND1-CD2 3.95Å; H144-Y148 AromaticContact NE2-CD2 3.67Å; H144-Y148 WeakPolarHBondContact O-CD2 3.05Å; H144-Y148 PolarHBondContact O-N 3.29Å; H144-H149 AromaticContact CE1-NE2 3.9Å; H144-H149 AromaticContact ND1-NE2 4Å
145A86.2Confident86.1Confident5 Ų565 Ų654%0.04132%0.316CS..Hα-helixtrans-62-43.9175.600000112I125 K141 I142 L143 H149I125-A145 HydrophobicContact CD1-CB 3.71Å; I125-A145 HydrophobicContact CG1-CB 3.83Å; K141-A145 WeakPolarHBondContact O-CB 3.4Å; K141-A145 PolarHBondContact O-N 2.93Å; I142-A145 WeakPolarHBondContact O-CB 3.33Å; I142-A145 PolarHBondContact O-N 3.16Å; I142-A145 VanDerWaalsContact O-N 3.09Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 2.75Å; A145-H149 WeakPolarHBondContact O-CA 3.35Å; A145-H149 VanDerWaalsContact O-CB 3.26Å; A145-H149 WeakPolarHBondContact O-CB 3.43Å; A145-H149 PolarHBondContact O-N 2.88Å
146V85.5Confident87.5Confident54 Ų5458 Ų5833%0.32729%0.287SS..Hα-helixtrans-67.3-39.8178.91750000111.6W8 I142 L143W8-V146 HydrophobicContact CD2-CG1 4.49Å; W8-V146 HydrophobicContact CH2-CG2 3.72Å; W8-V146 HydrophobicContact CZ2-CB 4.26Å; W8-V146 HydrophobicContact CZ2-CG2 3.75Å; W8-V146 HydrophobicContact CZ3-CG2 4.2Å; I142-V146 HydrophobicContact CG2-CG2 4.38Å; I142-V146 WeakPolarHBondContact O-CG2 3.47Å; I142-V146 PolarHBondContact O-N 3.33Å; L143-V146 PolarHBondContact O-N 3.13Å
147E84Confident88.5Confident110 Ų11056.2 Ų56.251%0.51428%0.278SS..Hα-helixtrans-74.5-41.6-175-170.5179.2171.200112.8L143 H144L143-E147 VanDerWaalsContact O-CB 3.27Å; L143-E147 WeakPolarHBondContact O-CB 3.43Å; L143-E147 PolarHBondContact O-N 3.08Å; H144-E147 PolarHBondContact O-N 3.47Å
148Y82.3Confident89.5Confident129 Ų12953.2 Ų53.251%0.50626%0.258SS..Hα-helixtrans-109.5-12.3-170.1-61.8-75.5000114.4H144H144-Y148 AromaticContact CD2-CD2 3.61Å; H144-Y148 AromaticContact CD2-CE2 3.85Å; H144-Y148 AromaticContact CE1-CD2 3.84Å; H144-Y148 AromaticContact CG-CD2 3.81Å; H144-Y148 AromaticContact ND1-CD2 3.95Å; H144-Y148 AromaticContact NE2-CD2 3.67Å; H144-Y148 WeakPolarHBondContact O-CD2 3.05Å; H144-Y148 PolarHBondContact O-N 3.29Å
149H85.6Confident90.2Very high68 Ų6850.7 Ų50.732%0.31525%0.249SC..SBendtrans-121.3155.3-175-58.2-79.3000113W8 H129 H144 A145W8-H149 PolarHBondContact NE1-O 3.07Å; H129-H149 AromaticContact CE1-CD2 3.57Å; H129-H149 AromaticContact CE1-CE1 3.26Å; H129-H149 PolarHBondContact CE1-CE1 2.61Å; H129-H149 AromaticContact CE1-CG 3.86Å; H129-H149 AromaticContact CE1-ND1 3.67Å; H129-H149 AromaticContact CE1-NE2 3.15Å; H129-H149 PolarHBondContact CE1-NE2 2.94Å; H129-H149 AromaticContact ND1-NE2 3.98Å; H129-H149 AromaticContact NE2-CD2 3.55Å; H129-H149 AromaticContact NE2-CE1 3.89Å; H129-H149 AromaticContact NE2-CG 3.71Å; H129-H149 AromaticContact NE2-ND1 3.9Å; H129-H149 AromaticContact NE2-NE2 3.66Å; H144-H149 AromaticContact CE1-NE2 3.9Å; H144-H149 AromaticContact ND1-NE2 4Å; A145-H149 WeakPolarHBondContact O-CA 3.35Å; A145-H149 VanDerWaalsContact O-CB 3.26Å; A145-H149 WeakPolarHBondContact O-CB 3.43Å; A145-H149 PolarHBondContact O-N 2.88Å
150S89.1Confident90.8Very high73 Ų7346.1 Ų46.151%0.5123%0.228SC..PPolyproline II helixtrans-71.9153.1171.1-55.90000109.3H4H4-S150 WeakPolarHBondContact CA-OG 3.24Å; H4-S150 WeakPolarHBondContact CB-OG 3.07Å
151V93.8Very high91.4Very high10 Ų1039 Ų396%0.06120%0.201CC..PPolyproline II helixtrans-53.8132.5173.872.80000110.1G7 W8 Y11 T153 L155 L156G7-V151 VanDerWaalsContact CA-CG1 3.47Å; W8-V151 HydrophobicContact CD2-CB 3.93Å; W8-V151 HydrophobicContact CD2-CG2 4.15Å; W8-V151 HydrophobicContact CE3-CB 4.25Å; W8-V151 HydrophobicContact CE3-CG2 3.95Å; W8-V151 HydrophobicContact CG-CB 4.22Å; W8-V151 HydrophobicContact CH2-CG2 4.29Å; W8-V151 HydrophobicContact CZ2-CB 4.45Å; W8-V151 HydrophobicContact CZ2-CG2 4.48Å; W8-V151 HydrophobicContact CZ3-CG2 4.02Å; Y11-V151 HydrophobicContact CG-CG2 4.28Å; V151-T153 PolarHBondContact O-N 3.25Å; V151-L155 HydrophobicContact CG2-CB 4.08Å; V151-L155 HydrophobicContact CG2-CD1 3.99Å; V151-L156 HydrophobicContact CG1-CD1 3.61Å; V151-L156 HydrophobicContact CG1-CD2 4.12Å; V151-L156 HydrophobicContact CG1-CG 3.78Å; V151-L156 HydrophobicContact CG2-CG 4.49Å
152P94Very high92Very high16 Ų1637.3 Ų37.310%0.10419%0.194CC..PPolyproline II helixtrans-59.8137.4173.3-24.533.4000111.1L121 C124 A154 L155L121-P152 HydrophobicContact CD1-CG 4.09Å; C124-P152 HydrophobicContact CB-CB 4.01Å; C124-P152 HydrophobicContact CB-CG 3.88Å; P152-A154 PolarHBondContact O-N 2.69Å; P152-A154 VanDerWaalsContact O-N 3.11Å; P152-L155 PolarHBondContact O-N 3.41Å
153T94Very high92.4Very high32 Ų3235.9 Ų35.920%0.19619%0.186CC..Hα-helixtrans-58.1-30.1177.1-67.70000111.4V151 L155 L156 L157 V394 D395V151-T153 PolarHBondContact O-N 3.25Å; T153-L155 VanDerWaalsContact C-N 3.31Å; T153-L155 PolarHBondContact O-N 3.33Å; T153-L156 PolarHBondContact O-N 2.86Å; T153-L157 HydrophobicContact CG2-CD1 4.07Å; T153-L157 HydrophobicContact CG2-CG 4.09Å; T153-L157 WeakPolarHBondContact O-CG 3.18Å; T153-L157 PolarHBondContact O-N 2.77Å; T153-V394 HydrophobicContact CG2-CB 4.16Å; T153-V394 HydrophobicContact CG2-CG1 4.1Å; T153-D395 VanDerWaalsContact CB-OD1 3.26Å; T153-D395 WeakPolarHBondContact CB-OD1 3.49Å; T153-D395 PolarHBondContact N-OD2 3.49Å; T153-D395 PolarHBondContact OG1-OD1 2.97Å
154A96.2Very high92.9Very high0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-56.6-40.1176.400000113.4I120 P152 Y158 C387I120-A154 HydrophobicContact CG2-CB 3.56Å; P152-A154 PolarHBondContact O-N 2.69Å; P152-A154 VanDerWaalsContact O-N 3.11Å; A154-Y158 PolarHBondContact O-N 3.36Å; A154-C387 WeakPolarHBondContact CA-O 3.24Å; A154-C387 VanDerWaalsContact CB-O 3.23Å; A154-C387 WeakPolarHBondContact CB-O 3.31Å
155L97.4Very high93.4Very high0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-68.2-43.2177-75.9-175.2000111.6W8 Y11 D117 I120 L121 V151 P152 T153 L157 Y158 A159W8-L155 HydrophobicContact CH2-CD1 4.18Å; W8-L155 HydrophobicContact CZ3-CD1 4.14Å; Y11-L155 HydrophobicContact CD2-CB 4.1Å; Y11-L155 HydrophobicContact CE1-CD1 4.42Å; Y11-L155 HydrophobicContact CE2-CB 4.06Å; Y11-L155 HydrophobicContact CE2-CD1 4.24Å; Y11-L155 HydrophobicContact CE2-CD2 4.31Å; Y11-L155 HydrophobicContact CE2-CG 4.46Å; D117-L155 HydrophobicContact CB-CD2 3.99Å; D117-L155 VanDerWaalsContact O-CD2 3.26Å; D117-L155 WeakPolarHBondContact O-CD2 3.4Å; I120-L155 HydrophobicContact CB-CD2 3.99Å; I120-L155 HydrophobicContact CG2-CD2 3.88Å; I120-L155 HydrophobicContact CG2-CG 4.37Å; L121-L155 HydrophobicContact CB-CD1 4.16Å; L121-L155 HydrophobicContact CB-CD2 4.27Å; L121-L155 HydrophobicContact CD1-CD1 4.07Å; L121-L155 HydrophobicContact CG-CD1 4.49Å; V151-L155 HydrophobicContact CG2-CB 4.08Å; V151-L155 HydrophobicContact CG2-CD1 3.99Å; P152-L155 PolarHBondContact O-N 3.41Å; T153-L155 VanDerWaalsContact C-N 3.31Å; T153-L155 PolarHBondContact O-N 3.33Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 PolarHBondContact O-N 3.44Å; L155-Y158 PolarHBondContact O-N 3.11Å; L155-A159 WeakPolarHBondContact O-CB 3.46Å; L155-A159 PolarHBondContact O-N 3.36Å
156L97.4Very high93.8Very high41 Ų4128.1 Ų28.122%0.21515%0.148CC..Hα-helixtrans-63.4-40.3177.6-67.1177.3000111.4I10 L14 V151 T153 S160I10-L156 HydrophobicContact CB-CD2 4.41Å; I10-L156 HydrophobicContact CG2-CD2 3.99Å; L14-L156 HydrophobicContact CD1-CD2 4.43Å; V151-L156 HydrophobicContact CG1-CD1 3.61Å; V151-L156 HydrophobicContact CG1-CD2 4.12Å; V151-L156 HydrophobicContact CG1-CG 3.78Å; V151-L156 HydrophobicContact CG2-CG 4.49Å; T153-L156 PolarHBondContact O-N 2.86Å; L156-S160 VanDerWaalsContact O-CB 3.31Å; L156-S160 WeakPolarHBondContact O-CB 3.34Å; L156-S160 PolarHBondContact O-N 3.18Å; L156-S160 PolarHBondContact O-OG 3.19Å
157L97.6Very high94.2Very high8 Ų825.5 Ų25.54%0.04213%0.132CC..Hα-helixtrans-60.9-49.9175-72.3173.8000111.2T153 L155 C161 F334 F338 C387 V390 W417T153-L157 HydrophobicContact CG2-CD1 4.07Å; T153-L157 HydrophobicContact CG2-CG 4.09Å; T153-L157 WeakPolarHBondContact O-CG 3.18Å; T153-L157 PolarHBondContact O-N 2.77Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 PolarHBondContact O-N 3.44Å; L157-C161 WeakPolarHBondContact O-CB 3.41Å; L157-C161 PolarHBondContact O-N 2.63Å; L157-F334 HydrophobicContact CD1-CZ 4.18Å; L157-F338 HydrophobicContact CD2-CD2 3.92Å; L157-F338 HydrophobicContact CD2-CE2 3.53Å; L157-F338 HydrophobicContact CD2-CZ 4.02Å; L157-C387 HydrophobicContact CB-CB 4.49Å; L157-V390 HydrophobicContact CD1-CB 4.34Å; L157-V390 HydrophobicContact CD1-CG1 4.01Å; L157-W417 HydrophobicContact CD2-CD2 4.26Å; L157-W417 HydrophobicContact CD2-CH2 4.25Å; L157-W417 HydrophobicContact CD2-CZ2 3.95Å; L157-W417 WeakPolarHBondContact O-CZ2 3.38Å
158Y98.5Very high94.7Very high10 Ų1020.4 Ų20.44%0.03911%0.108CC..Hα-helixtrans-64.5-48.5179.3176.9-105.3000111.9V116 D117 I120 A154 L155 S160 C161 G165 L383V116-Y158 HydrophobicContact CB-CE1 3.89Å; V116-Y158 HydrophobicContact CB-CE2 4.45Å; V116-Y158 WeakPolarHBondContact CB-OH 3.17Å; V116-Y158 HydrophobicContact CG1-CD1 4.38Å; V116-Y158 HydrophobicContact CG1-CD2 4.26Å; V116-Y158 HydrophobicContact CG1-CE1 3.77Å; V116-Y158 HydrophobicContact CG1-CE2 3.63Å; V116-Y158 WeakPolarHBondContact CG1-OH 3.25Å; D117-Y158 VanDerWaalsContact OD1-CD1 3.29Å; D117-Y158 WeakPolarHBondContact OD1-CD1 3.34Å; I120-Y158 HydrophobicContact CD1-CD1 3.98Å; I120-Y158 HydrophobicContact CD1-CD2 4.06Å; I120-Y158 HydrophobicContact CD1-CG 3.57Å; A154-Y158 PolarHBondContact O-N 3.36Å; L155-Y158 PolarHBondContact O-N 3.11Å; Y158-S160 VanDerWaalsContact C-N 3.26Å; Y158-S160 PolarHBondContact O-N 2.87Å; Y158-C161 PolarHBondContact O-N 2.81Å; Y158-G165 WeakPolarHBondContact O-CA 3.44Å; Y158-G165 PolarHBondContact O-N 2.66Å; Y158-L383 HydrophobicContact CD2-CD2 4.05Å; Y158-L383 HydrophobicContact CD2-CG 4.26Å; Y158-L383 HydrophobicContact CE2-CD2 4.22Å
159A98.1Very high95.3Very high1 Ų114.3 Ų14.31%0.0089%0.085CC..Hα-helixtrans-64.4-27-176.900000113.8Y11 L14 L155 G165 S166Y11-A159 HydrophobicContact CD2-CB 4.04Å; Y11-A159 HydrophobicContact CE2-CB 4.17Å; L14-A159 HydrophobicContact CB-CB 3.99Å; L14-A159 HydrophobicContact CD1-CB 3.91Å; L155-A159 WeakPolarHBondContact O-CB 3.46Å; L155-A159 PolarHBondContact O-N 3.36Å; A159-G165 CarbonylContact O-C 3.59Å; A159-S166 PolarHBondContact O-N 3.05Å
160S97.6Very high95.7Very high27 Ų2711.1 Ų11.119%0.1897%0.07CC..Hα-helixtrans-99.2-3.7177.1640000114.6L156 Y158 W417 Q421L156-S160 VanDerWaalsContact O-CB 3.31Å; L156-S160 WeakPolarHBondContact O-CB 3.34Å; L156-S160 PolarHBondContact O-N 3.18Å; L156-S160 PolarHBondContact O-OG 3.19Å; Y158-S160 VanDerWaalsContact C-N 3.26Å; Y158-S160 PolarHBondContact O-N 2.87Å; S160-W417 PolarHBondContact OG-NE1 3.47Å; S160-Q421 WeakPolarHBondContact O-CB 3.22Å
161C98.1Very high96Very high0 Ų07.7 Ų7.70%05%0.045CC..  trans-77.3129.9178.9-177.60000110.9L157 Y158 G164 G165 S166 I333 L383 W417L157-C161 WeakPolarHBondContact O-CB 3.41Å; L157-C161 PolarHBondContact O-N 2.63Å; Y158-C161 PolarHBondContact O-N 2.81Å; C161-G164 CarbonylContact O-C 3.24Å; C161-G164 VanDerWaalsContact O-C 3.24Å; C161-G164 WeakPolarHBondContact O-CA 3.15Å; C161-G164 PolarHBondContact O-N 3.17Å; C161-G165 PolarHBondContact O-N 3.36Å; C161-S166 PolarHBondContact O-N 3.02Å; C161-S166 PolarHBondContact O-OG 3.26Å; C161-I333 PolarHBondContact SG-O 3.45Å; C161-I333 VanDerWaalsContact SG-O 3.42Å; C161-L383 HydrophobicContact CB-CD2 4.47Å; C161-W417 HydrophobicContact CB-CH2 3.96Å; C161-W417 HydrophobicContact CB-CZ2 3.95Å
162A96.7Very high96Very high0 Ų07.2 Ų7.20%04%0.043CC..Iπ-helixtrans-58.6-5017900000111.4G164 S166 L167 W168 L424 I425A162-G164 PolarHBondContact O-N 3.26Å; A162-S166 WeakPolarHBondContact CA-OG 3.36Å; A162-S166 PolarHBondContact N-OG 2.93Å; A162-L167 WeakPolarHBondContact O-CB 3.38Å; A162-L167 PolarHBondContact O-N 2.92Å; A162-W168 PolarHBondContact O-N 3.01Å; A162-L424 HydrophobicContact CB-CB 3.54Å; A162-L424 HydrophobicContact CB-CD1 4.18Å; A162-I425 HydrophobicContact CB-CG1 3.99Å
163F96.7Very high96Very high3 Ų36.5 Ų6.51%0.0134%0.038CC..Iπ-helixtrans-73.2-8.7175.3-77.9-98.8000113.6W168 L332 I333 A376 I380 L424 Y428F163-W168 HydrophobicContact CD1-CD2 4.03Å; F163-W168 AromaticContact CD1-CE2 3.75Å; F163-W168 HydrophobicContact CD1-CE3 4.48Å; F163-W168 HydrophobicContact CD1-CG 4.45Å; F163-W168 HydrophobicContact CD1-CH2 4.45Å; F163-W168 AromaticContact CD1-CZ2 3.98Å; F163-W168 HydrophobicContact CD1-CZ2 3.98Å; F163-W168 HydrophobicContact CE1-CD2 4.39Å; F163-W168 AromaticContact CE1-CE2 3.7Å; F163-W168 HydrophobicContact CE1-CH2 4.01Å; F163-W168 AromaticContact CE1-CZ2 3.49Å; F163-W168 HydrophobicContact CE1-CZ2 3.49Å; F163-W168 VanDerWaalsContact CE1-CZ2 3.49Å; F163-W168 HydrophobicContact CZ-CZ2 4.1Å; F163-L332 HydrophobicContact CE2-CD2 4.32Å; F163-L332 HydrophobicContact CE2-CG 4.03Å; F163-L332 HydrophobicContact CZ-CD2 3.97Å; F163-L332 HydrophobicContact CZ-CG 4.19Å; F163-I333 HydrophobicContact CB-CB 4.44Å; F163-I333 HydrophobicContact CB-CG1 4.25Å; F163-I333 HydrophobicContact CB-CG2 3.93Å; F163-I333 HydrophobicContact CD1-CG1 3.94Å; F163-I333 HydrophobicContact CD2-CB 4.47Å; F163-I333 HydrophobicContact CD2-CG1 4.12Å; F163-I333 HydrophobicContact CE1-CG1 4.3Å; F163-I333 HydrophobicContact CE2-CG1 4.47Å; F163-I333 HydrophobicContact CG-CB 4.39Å; F163-I333 HydrophobicContact CG-CG1 3.84Å; F163-I333 HydrophobicContact CG-CG2 4.4Å; F163-A376 HydrophobicContact CE1-CB 3.85Å; F163-A376 HydrophobicContact CZ-CB 4.17Å; F163-I380 HydrophobicContact CD1-CD1 4.18Å; F163-I380 HydrophobicContact CD1-CG1 4.29Å; F163-L424 HydrophobicContact CD2-CD1 4.43Å; F163-L424 HydrophobicContact CE2-CD1 4.33Å; F163-Y428 HydrophobicContact CE2-CD2 4.41Å; F163-Y428 AromaticContact CE2-CE2 3.88Å; F163-Y428 HydrophobicContact CE2-CE2 3.88Å; F163-Y428 AromaticContact CZ-CE2 3.92Å; F163-Y428 HydrophobicContact CZ-CE2 3.92Å
164G96.5Very high96.1Very high2 Ų25 Ų52%0.0213%0.029CC..Iπ-helixtrans-106.5-127.1174.500000111.5C161 A162 S166 S169 L383C161-G164 CarbonylContact O-C 3.24Å; C161-G164 VanDerWaalsContact O-C 3.24Å; C161-G164 WeakPolarHBondContact O-CA 3.15Å; C161-G164 PolarHBondContact O-N 3.17Å; A162-G164 PolarHBondContact O-N 3.26Å; G164-S166 VanDerWaalsContact C-N 3.32Å; G164-S166 PolarHBondContact O-N 2.96Å; G164-S169 VanDerWaalsContact O-CB 3.31Å; G164-S169 WeakPolarHBondContact O-CB 3.38Å; G164-S169 PolarHBondContact O-N 3.17Å; G164-S169 PolarHBondContact O-OG 2.97Å; G164-L383 VanDerWaalsContact CA-CD2 3.4Å
165G96.3Very high96.2Very high0 Ų05 Ų50%03%0.029CC..Iπ-helixtrans-69.9-15-169.800000116.4R18 Y158 A159 C161 S169R18-G165 WeakPolarHBondContact CD-O 3.33Å; R18-G165 WeakPolarHBondContact CG-O 3.38Å; R18-G165 PolarHBondContact NE-O 2.95Å; Y158-G165 WeakPolarHBondContact O-CA 3.44Å; Y158-G165 PolarHBondContact O-N 2.66Å; A159-G165 CarbonylContact O-C 3.59Å; C161-G165 PolarHBondContact O-N 3.36Å; G165-S169 VanDerWaalsContact C-OG 3.25Å; G165-S169 VanDerWaalsContact CA-OG 3.25Å; G165-S169 WeakPolarHBondContact CA-OG 3.27Å; G165-S169 PolarHBondContact O-OG 3.04Å; G165-S169 VanDerWaalsContact O-OG 3.05Å
166S94.3Very high96.2Very high6 Ų65.3 Ų5.34%0.0423%0.031CC..Iπ-helixtrans-90.6-29.6-173.166.20000114.1F21 A159 C161 A162 G164 I425F21-S166 WeakPolarHBondContact CD2-O 3.38Å; F21-S166 WeakPolarHBondContact CE2-O 3.38Å; A159-S166 PolarHBondContact O-N 3.05Å; C161-S166 PolarHBondContact O-N 3.02Å; C161-S166 PolarHBondContact O-OG 3.26Å; A162-S166 WeakPolarHBondContact CA-OG 3.36Å; A162-S166 PolarHBondContact N-OG 2.93Å; G164-S166 VanDerWaalsContact C-N 3.32Å; G164-S166 PolarHBondContact O-N 2.96Å; S166-I425 WeakPolarHBondContact OG-CD1 3.4Å
167L94.7Very high96.2Very high0 Ų03.4 Ų3.40%02%0.021CC..THydrogen-bonded Turntrans-136.7-57.6-177.6174.767.3000112.8Q26 A162 S169 T170 I425Q26-L167 HydrophobicContact CG-CD1 3.8Å; A162-L167 WeakPolarHBondContact O-CB 3.38Å; A162-L167 PolarHBondContact O-N 2.92Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 3.2Å; L167-T170 PolarHBondContact O-N 2.93Å; L167-T170 VanDerWaalsContact O-N 3.12Å; L167-T170 PolarHBondContact O-OG1 2.89Å; L167-I425 HydrophobicContact CB-CG1 4.44Å
168W94.4Very high96.2Very high2 Ų23 Ų31%0.0082%0.019CC..G310 helixtrans-68.5-30.8-172.3-79.258.2000112.7Y29 A162 F163 T170 R171 I173 V176 R377 I380Y29-W168 HydrophobicContact CD1-CZ2 4.31Å; Y29-W168 AromaticContact CE1-CH2 3.82Å; Y29-W168 HydrophobicContact CE1-CH2 3.82Å; Y29-W168 AromaticContact CE1-CZ2 3.54Å; Y29-W168 HydrophobicContact CE1-CZ2 3.54Å; A162-W168 PolarHBondContact O-N 3.01Å; F163-W168 HydrophobicContact CD1-CD2 4.03Å; F163-W168 AromaticContact CD1-CE2 3.75Å; F163-W168 HydrophobicContact CD1-CE3 4.48Å; F163-W168 HydrophobicContact CD1-CG 4.45Å; F163-W168 HydrophobicContact CD1-CH2 4.45Å; F163-W168 AromaticContact CD1-CZ2 3.98Å; F163-W168 HydrophobicContact CD1-CZ2 3.98Å; F163-W168 HydrophobicContact CE1-CD2 4.39Å; F163-W168 AromaticContact CE1-CE2 3.7Å; F163-W168 HydrophobicContact CE1-CH2 4.01Å; F163-W168 AromaticContact CE1-CZ2 3.49Å; F163-W168 HydrophobicContact CE1-CZ2 3.49Å; F163-W168 VanDerWaalsContact CE1-CZ2 3.49Å; F163-W168 HydrophobicContact CZ-CZ2 4.1Å; W168-T170 PolarHBondContact O-N 3.07Å; W168-R171 PolarHBondContact O-N 3.15Å; W168-I173 HydrophobicContact CD2-CD1 4Å; W168-I173 HydrophobicContact CE3-CD1 3.3Å; W168-I173 HydrophobicContact CE3-CG1 4.49Å; W168-I173 HydrophobicContact CE3-CG2 4.32Å; W168-I173 HydrophobicContact CH2-CD1 4.07Å; W168-I173 HydrophobicContact CZ3-CD1 3.35Å; W168-I173 HydrophobicContact CZ3-CG2 4.06Å; W168-V176 HydrophobicContact CB-CG2 4.31Å; W168-V176 WeakPolarHBondContact O-CG2 3.44Å; W168-R377 HydrophobicContact CE3-CB 4.47Å; W168-R377 HydrophobicContact CH2-CB 3.82Å; W168-R377 HydrophobicContact CZ3-CB 3.47Å; W168-R377 VanDerWaalsContact CZ3-CB 3.47Å; W168-I380 HydrophobicContact CD2-CD1 4.02Å; W168-I380 HydrophobicContact CE3-CD1 3.27Å; W168-I380 HydrophobicContact CZ3-CD1 3.67Å
169S95.4Very high96.2Very high2 Ų22.8 Ų2.81%0.0142%0.018CC..G310 helixtrans-63.6-4.5174700000114.8R18 G164 G165 L167R18-S169 WeakPolarHBondContact CD-OG 3.33Å; G164-S169 VanDerWaalsContact O-CB 3.31Å; G164-S169 WeakPolarHBondContact O-CB 3.38Å; G164-S169 PolarHBondContact O-N 3.17Å; G164-S169 PolarHBondContact O-OG 2.97Å; G165-S169 VanDerWaalsContact C-OG 3.25Å; G165-S169 VanDerWaalsContact CA-OG 3.25Å; G165-S169 WeakPolarHBondContact CA-OG 3.27Å; G165-S169 PolarHBondContact O-OG 3.04Å; G165-S169 VanDerWaalsContact O-OG 3.05Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 3.2Å
170T94Very high96.3Very high0 Ų03.1 Ų3.10%02%0.02CC..G310 helixtrans-106.93.4175.479.40000113R18 F21 R106 V110 L167 W168R18-T170 HydrophobicContact CG-CG2 3.64Å; R18-T170 WeakPolarHBondContact O-CG2 3.48Å; F21-T170 HydrophobicContact CB-CG2 3.9Å; R106-T170 WeakPolarHBondContact CD-O 3.32Å; R106-T170 WeakPolarHBondContact CG-O 3.46Å; V110-T170 HydrophobicContact CG2-CG2 3.68Å; L167-T170 PolarHBondContact O-N 2.93Å; L167-T170 VanDerWaalsContact O-N 3.12Å; L167-T170 PolarHBondContact O-OG1 2.89Å; W168-T170 PolarHBondContact O-N 3.07Å
171R93.7Very high96.3Very high1 Ų12.7 Ų2.70%0.0041%0.014CC..SBendtrans-110.7152.4-175.7-65.6-179.2172.2-117.32.9111.5G28 Y29 E34 T109 W168 I173 Y428G28-R171 PolarHBondContact O-NH1 3.2Å; G28-R171 PolarHBondContact O-NH2 2.96Å; Y29-R171 PolarHBondContact O-NH1 3.43Å; E34-R171 IonicContact OE2-CZ 3.69Å; E34-R171 IonicContact OE2-NH1 2.88Å; E34-R171 PolarHBondContact OE2-NH1 3.45Å; T109-R171 WeakPolarHBondContact CG2-O 3.13Å; W168-R171 PolarHBondContact O-N 3.15Å; R171-I173 HydrophobicContact CB-CD1 3.94Å; R171-I173 HydrophobicContact CB-CG1 4.02Å; R171-I173 PolarHBondContact O-N 3.05Å; R171-Y428 PolarHBondContact NH2-O 3.32Å
172T94.9Very high96.4Very high1 Ų12.7 Ų2.71%0.0061%0.014CC..  trans-85.855.8-176.749.40000111.7E34 I39 L102 R106 W177E34-T172 WeakPolarHBondContact CA-O 3.17Å; E34-T172 WeakPolarHBondContact CG-OG1 3.2Å; E34-T172 PolarHBondContact O-OG1 2.72Å; I39-T172 HydrophobicContact CD1-CG2 3.77Å; I39-T172 HydrophobicContact CG1-CG2 4.28Å; I39-T172 WeakPolarHBondContact CG1-OG1 3.35Å; L102-T172 HydrophobicContact CD1-CG2 3.96Å; R106-T172 HydrophobicContact CG-CG2 3.89Å; T172-W177 HydrophobicContact CG2-CZ2 4.15Å
173I94.7Very high96.5Very high0 Ų02.7 Ų2.70%01%0.014CC..  trans-103.2128.1-177.5-62.3173000109E34 W168 R171 N175 V176 W177E34-I173 HydrophobicContact CB-CG1 4.08Å; E34-I173 HydrophobicContact CG-CG1 4.24Å; W168-I173 HydrophobicContact CD2-CD1 4Å; W168-I173 HydrophobicContact CE3-CD1 3.3Å; W168-I173 HydrophobicContact CE3-CG1 4.49Å; W168-I173 HydrophobicContact CE3-CG2 4.32Å; W168-I173 HydrophobicContact CH2-CD1 4.07Å; W168-I173 HydrophobicContact CZ3-CD1 3.35Å; W168-I173 HydrophobicContact CZ3-CG2 4.06Å; R171-I173 HydrophobicContact CB-CD1 3.94Å; R171-I173 HydrophobicContact CB-CG1 4.02Å; R171-I173 PolarHBondContact O-N 3.05Å; I173-N175 HydrophobicContact CG2-CB 4.39Å; I173-N175 PolarHBondContact O-N 3.07Å; I173-N175 VanDerWaalsContact O-N 3.12Å; I173-V176 HydrophobicContact CB-CG2 4.05Å; I173-V176 WeakPolarHBondContact O-CA 3.49Å; I173-V176 VanDerWaalsContact O-CB 3.25Å; I173-V176 WeakPolarHBondContact O-CB 3.4Å; I173-V176 PolarHBondContact O-N 2.99Å; I173-W177 PolarHBondContact O-N 2.76Å
174V96.1Very high96.5Very high1 Ų15 Ų51%0.0063%0.027CC..Hα-helixtrans-54.2-37.9-175.3178.90000113.1Q37 V176 W177 E178 L226 R227Q37-V174 HydrophobicContact CB-CG2 4.15Å; V174-V176 PolarHBondContact O-N 2.69Å; V174-W177 HydrophobicContact CB-CE3 4.46Å; V174-W177 HydrophobicContact CG2-CE3 4.19Å; V174-W177 HydrophobicContact CG2-CZ3 4.02Å; V174-W177 WeakPolarHBondContact O-CB 3.45Å; V174-W177 PolarHBondContact O-N 3.01Å; V174-W177 VanDerWaalsContact O-N 3.08Å; V174-E178 PolarHBondContact O-N 2.92Å; V174-L226 HydrophobicContact CG1-CD1 4.12Å; V174-L226 HydrophobicContact CG1-CD2 4.37Å; V174-L226 HydrophobicContact CG1-CG 3.95Å; V174-R227 HydrophobicContact CG1-CB 4.25Å
175N97Very high96.6Very high1 Ų15.3 Ų5.31%0.0053%0.027CC..Hα-helixtrans-65.9-25.1177.7-57.8104.9000113.6I173 E178 S179 R377I173-N175 HydrophobicContact CG2-CB 4.39Å; I173-N175 PolarHBondContact O-N 3.07Å; I173-N175 VanDerWaalsContact O-N 3.12Å; N175-E178 WeakPolarHBondContact CA-OE2 3.47Å; N175-E178 PolarHBondContact ND2-OE2 3.29Å; N175-S179 PolarHBondContact O-N 3.16Å; N175-S179 VanDerWaalsContact O-N 3.09Å; N175-S179 PolarHBondContact O-OG 2.99Å; N175-R377 WeakPolarHBondContact CB-O 3.49Å
176V97.5Very high96.7Very high5 Ų55.3 Ų5.33%0.033%0.027CC..Hα-helixtrans-70.4-41.7172.31770000109.4T109 W168 I173 V174 S179 I180T109-V176 HydrophobicContact CG2-CG1 3.73Å; W168-V176 HydrophobicContact CB-CG2 4.31Å; W168-V176 WeakPolarHBondContact O-CG2 3.44Å; I173-V176 HydrophobicContact CB-CG2 4.05Å; I173-V176 WeakPolarHBondContact O-CA 3.49Å; I173-V176 VanDerWaalsContact O-CB 3.25Å; I173-V176 WeakPolarHBondContact O-CB 3.4Å; I173-V176 PolarHBondContact O-N 2.99Å; V174-V176 PolarHBondContact O-N 2.69Å; V176-S179 WeakPolarHBondContact O-CA 3.41Å; V176-S179 VanDerWaalsContact O-CB 3.26Å; V176-S179 WeakPolarHBondContact O-CB 3.47Å; V176-S179 PolarHBondContact O-N 2.83Å; V176-S179 VanDerWaalsContact O-N 3.12Å; V176-I180 WeakPolarHBondContact O-CG1 3.31Å; V176-I180 PolarHBondContact O-N 3.4Å
177W98.1Very high96.9Very high2 Ų25.8 Ų5.81%0.0083%0.029CC..Hα-helixtrans-67.6-37.1175.2-54.8-27000112.5F74 V75 T109 T172 I173 V174 S179 I180 Y181 L226F74-W177 HydrophobicContact CB-CD2 3.61Å; F74-W177 VanDerWaalsContact CB-CE2 3.44Å; F74-W177 HydrophobicContact CB-CE3 3.99Å; F74-W177 HydrophobicContact CB-CG 4.12Å; F74-W177 HydrophobicContact CB-CH2 4.11Å; F74-W177 HydrophobicContact CB-CZ2 3.69Å; F74-W177 HydrophobicContact CB-CZ3 4.23Å; F74-W177 HydrophobicContact CD1-CB 4.28Å; F74-W177 AromaticContact CD1-CD1 3.37Å; F74-W177 HydrophobicContact CD1-CD2 4.11Å; F74-W177 AromaticContact CD1-CG 3.68Å; F74-W177 HydrophobicContact CD1-CG 3.68Å; F74-W177 AromaticContact CD1-NE1 3.64Å; F74-W177 HydrophobicContact CD2-CB 4.05Å; F74-W177 HydrophobicContact CD2-CD2 4.03Å; F74-W177 HydrophobicContact CD2-CE3 4.31Å; F74-W177 AromaticContact CD2-CG 3.92Å; F74-W177 HydrophobicContact CD2-CG 3.92Å; F74-W177 HydrophobicContact CE1-CB 4.19Å; F74-W177 AromaticContact CE1-CD1 3.79Å; F74-W177 HydrophobicContact CE1-CG 4.03Å; F74-W177 HydrophobicContact CE2-CB 3.97Å; F74-W177 HydrophobicContact CE2-CG 4.27Å; F74-W177 HydrophobicContact CG-CB 4.21Å; F74-W177 AromaticContact CG-CD1 3.74Å; F74-W177 AromaticContact CG-CD2 3.64Å; F74-W177 HydrophobicContact CG-CD2 3.64Å; F74-W177 AromaticContact CG-CE2 3.83Å; F74-W177 HydrophobicContact CG-CE3 4.22Å; F74-W177 AromaticContact CG-CG 3.61Å; F74-W177 HydrophobicContact CG-CG 3.61Å; F74-W177 AromaticContact CG-NE1 3.85Å; F74-W177 HydrophobicContact CZ-CB 4.03Å; F74-W177 HydrophobicContact CZ-CG 4.31Å; V75-W177 HydrophobicContact CG2-CH2 3.17Å; V75-W177 HydrophobicContact CG2-CZ2 3.92Å; V75-W177 HydrophobicContact CG2-CZ3 3.72Å; T109-W177 PolarHBondContact OG1-NE1 3.23Å; T172-W177 HydrophobicContact CG2-CZ2 4.15Å; I173-W177 PolarHBondContact O-N 2.76Å; V174-W177 HydrophobicContact CB-CE3 4.46Å; V174-W177 HydrophobicContact CG2-CE3 4.19Å; V174-W177 HydrophobicContact CG2-CZ3 4.02Å; V174-W177 WeakPolarHBondContact O-CB 3.45Å; V174-W177 PolarHBondContact O-N 3.01Å; V174-W177 VanDerWaalsContact O-N 3.08Å; W177-S179 VanDerWaalsContact C-N 3.26Å; W177-S179 PolarHBondContact O-N 2.58Å; W177-I180 WeakPolarHBondContact O-CB 3.29Å; W177-I180 PolarHBondContact O-N 2.83Å; W177-I180 VanDerWaalsContact O-N 3.16Å; W177-Y181 WeakPolarHBondContact O-CD2 3.22Å; W177-Y181 PolarHBondContact O-N 3.32Å; W177-L226 HydrophobicContact CB-CD2 3.55Å; W177-L226 HydrophobicContact CE3-CD1 3.86Å
178E97.8Very high97Very high0 Ų06.5 Ų6.50%03%0.033CC..Hα-helixtrans-56.6-41.7167.8-75-178.9106.100111.2V174 N175 I180 Y181 V182 L226 R227 T229 Y230 P381V174-E178 PolarHBondContact O-N 2.92Å; N175-E178 WeakPolarHBondContact CA-OE2 3.47Å; N175-E178 PolarHBondContact ND2-OE2 3.29Å; E178-I180 VanDerWaalsContact C-N 3.29Å; E178-I180 PolarHBondContact O-N 2.75Å; E178-Y181 PolarHBondContact O-N 3.34Å; E178-V182 VanDerWaalsContact O-CG2 3.31Å; E178-V182 WeakPolarHBondContact O-CG2 3.28Å; E178-V182 PolarHBondContact O-N 2.74Å; E178-L226 HydrophobicContact CG-CD2 4.07Å; E178-R227 HydrophobicContact CG-CB 3.95Å; E178-R227 WeakPolarHBondContact OE1-CB 3.23Å; E178-R227 VanDerWaalsContact OE2-CD 3.26Å; E178-R227 WeakPolarHBondContact OE2-CD 3.49Å; E178-T229 PolarHBondContact OE1-OG1 2.91Å; E178-Y230 PolarHBondContact OE1-N 3.47Å; E178-Y230 VanDerWaalsContact OE1-N 3.11Å; E178-P381 HydrophobicContact CB-CB 4.41Å; E178-P381 HydrophobicContact CB-CG 3.74Å
179S98.6Very high97.1Very high4 Ų47 Ų73%0.0284%0.035CC..Hα-helixtrans-64.2-34.9178.2-52.90000112.5N175 V176 W177 S183 I380 P381N175-S179 PolarHBondContact O-N 3.16Å; N175-S179 VanDerWaalsContact O-N 3.09Å; N175-S179 PolarHBondContact O-OG 2.99Å; V176-S179 WeakPolarHBondContact O-CA 3.41Å; V176-S179 VanDerWaalsContact O-CB 3.26Å; V176-S179 WeakPolarHBondContact O-CB 3.47Å; V176-S179 PolarHBondContact O-N 2.83Å; V176-S179 VanDerWaalsContact O-N 3.12Å; W177-S179 VanDerWaalsContact C-N 3.26Å; W177-S179 PolarHBondContact O-N 2.58Å; S179-S183 WeakPolarHBondContact O-CB 3.22Å; S179-S183 PolarHBondContact O-N 3.47Å; S179-S183 PolarHBondContact O-OG 3.1Å; S179-I380 WeakPolarHBondContact OG-CG2 3.18Å; S179-I380 PolarHBondContact OG-O 3.3Å; S179-P381 VanDerWaalsContact OG-CA 3.22Å; S179-P381 WeakPolarHBondContact OG-CA 3.39Å
180I98.6Very high97Very high8 Ų87.5 Ų7.54%0.0414%0.038CC..Hα-helixtrans-65.7-47173.1-64.6167.1000109.8F74 L115 V116 V176 W177 E178 V182 S183 L184F74-I180 HydrophobicContact CE1-CD1 3.88Å; F74-I180 HydrophobicContact CE1-CG2 4.46Å; F74-I180 HydrophobicContact CZ-CG2 4.39Å; L115-I180 HydrophobicContact CD1-CG2 4.22Å; V116-I180 HydrophobicContact CG2-CG1 4.23Å; V176-I180 WeakPolarHBondContact O-CG1 3.31Å; V176-I180 PolarHBondContact O-N 3.4Å; W177-I180 WeakPolarHBondContact O-CB 3.29Å; W177-I180 PolarHBondContact O-N 2.83Å; W177-I180 VanDerWaalsContact O-N 3.16Å; E178-I180 VanDerWaalsContact C-N 3.29Å; E178-I180 PolarHBondContact O-N 2.75Å; I180-V182 PolarHBondContact O-N 3.22Å; I180-S183 PolarHBondContact O-N 3.16Å; I180-L184 WeakPolarHBondContact O-CB 3.41Å; I180-L184 PolarHBondContact O-N 2.75Å
181Y98.7Very high96.9Very high19 Ų198.6 Ų8.68%0.0754%0.043CC..Hα-helixtrans-62.2-41.4175.5-82.3-66.6000112.6F74 W177 E178 S183 L184 F185 V219 W222 L226F74-Y181 HydrophobicContact CE2-CD2 4.27Å; F74-Y181 AromaticContact CE2-CE2 3.5Å; F74-Y181 HydrophobicContact CE2-CE2 3.5Å; F74-Y181 VanDerWaalsContact CE2-CE2 3.5Å; F74-Y181 AromaticContact CE2-CZ 3.94Å; F74-Y181 HydrophobicContact CZ-CD2 4.48Å; F74-Y181 HydrophobicContact CZ-CE2 4.05Å; W177-Y181 WeakPolarHBondContact O-CD2 3.22Å; W177-Y181 PolarHBondContact O-N 3.32Å; E178-Y181 PolarHBondContact O-N 3.34Å; Y181-S183 VanDerWaalsContact C-N 3.29Å; Y181-S183 PolarHBondContact O-N 2.96Å; Y181-L184 PolarHBondContact O-N 3.46Å; Y181-F185 WeakPolarHBondContact O-CB 3.29Å; Y181-F185 PolarHBondContact O-N 2.93Å; Y181-V219 HydrophobicContact CD1-CG1 4.03Å; Y181-W222 HydrophobicContact CE1-CB 4.05Å; Y181-L226 HydrophobicContact CD2-CD2 3.65Å; Y181-L226 HydrophobicContact CE2-CB 4.22Å; Y181-L226 HydrophobicContact CE2-CD2 3.77Å; Y181-L226 HydrophobicContact CE2-CG 4.49Å
182V98.8Very high96.8Very high0 Ų08.6 Ų8.60%04%0.043CC..Hα-helixtrans-60-43.4175.9166.30000110.2E178 I180 F185 G186 Y230 F233 I234 P381 Y385E178-V182 VanDerWaalsContact O-CG2 3.31Å; E178-V182 WeakPolarHBondContact O-CG2 3.28Å; E178-V182 PolarHBondContact O-N 2.74Å; I180-V182 PolarHBondContact O-N 3.22Å; V182-F185 PolarHBondContact O-N 3.33Å; V182-G186 PolarHBondContact O-N 3.19Å; V182-Y230 HydrophobicContact CG2-CD2 3.88Å; V182-Y230 HydrophobicContact CG2-CE2 3.8Å; V182-F233 HydrophobicContact CG2-CB 3.58Å; V182-F233 HydrophobicContact CG2-CD2 4.28Å; V182-F233 HydrophobicContact CG2-CG 4.23Å; V182-I234 HydrophobicContact CG2-CG2 4.14Å; V182-P381 HydrophobicContact CG2-CB 4.11Å; V182-Y385 HydrophobicContact CG1-CE2 3.6Å; V182-Y385 WeakPolarHBondContact CG1-OH 3.43Å
183S98.7Very high96.5Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-69.3-37.7178.7-59.10000112.2V116 S179 I180 Y181 G186 L187V116-S183 WeakPolarHBondContact CA-OG 3.36Å; V116-S183 WeakPolarHBondContact CG2-OG 3.27Å; S179-S183 WeakPolarHBondContact O-CB 3.22Å; S179-S183 PolarHBondContact O-N 3.47Å; S179-S183 PolarHBondContact O-OG 3.1Å; I180-S183 PolarHBondContact O-N 3.16Å; Y181-S183 VanDerWaalsContact C-N 3.29Å; Y181-S183 PolarHBondContact O-N 2.96Å; S183-G186 PolarHBondContact O-N 3.42Å; S183-L187 WeakPolarHBondContact O-CB 3.43Å; S183-L187 VanDerWaalsContact O-CG 3.29Å; S183-L187 WeakPolarHBondContact O-CG 3.31Å; S183-L187 PolarHBondContact O-N 2.92Å
184L98.5Very high96.1Very high52 Ų5210.1 Ų10.127%0.2725%0.051SC..Hα-helixtrans-64.4-45.2174-177.159.1000111.4I180 Y181 G186 L187 L188 V219I180-L184 WeakPolarHBondContact O-CB 3.41Å; I180-L184 PolarHBondContact O-N 2.75Å; Y181-L184 PolarHBondContact O-N 3.46Å; L184-G186 VanDerWaalsContact C-N 3.33Å; L184-G186 PolarHBondContact O-N 3.18Å; L184-L187 PolarHBondContact O-N 3.37Å; L184-L188 HydrophobicContact CG-CD1 4.39Å; L184-L188 WeakPolarHBondContact O-CG 3.34Å; L184-L188 PolarHBondContact O-N 2.88Å; L184-V219 HydrophobicContact CB-CG1 4.31Å; L184-V219 HydrophobicContact CD2-CB 4.46Å; L184-V219 HydrophobicContact CD2-CG1 4.06Å; L184-V219 HydrophobicContact CD2-CG2 3.49Å; L184-V219 VanDerWaalsContact CD2-CG2 3.49Å; L184-V219 HydrophobicContact CG-CG1 4.08Å; L184-V219 HydrophobicContact CG-CG2 3.9Å
185F98.7Very high95.6Very high7 Ų712.8 Ų12.83%0.0316%0.061CC..Hα-helixtrans-58.4-46.6171.9180-82.9000111Y181 V182 L187 L188 F189 Q216 V219 V220 Y230 I234 L237Y181-F185 WeakPolarHBondContact O-CB 3.29Å; Y181-F185 PolarHBondContact O-N 2.93Å; V182-F185 PolarHBondContact O-N 3.33Å; F185-L187 VanDerWaalsContact C-N 3.34Å; F185-L187 PolarHBondContact O-N 3.3Å; F185-L188 PolarHBondContact O-N 3.2Å; F185-F189 HydrophobicContact CE1-CB 4.25Å; F185-F189 WeakPolarHBondContact O-CB 3.32Å; F185-F189 PolarHBondContact O-N 3.5Å; F185-Q216 HydrophobicContact CD2-CG 3.6Å; F185-Q216 HydrophobicContact CE2-CG 3.56Å; F185-Q216 HydrophobicContact CZ-CG 4.43Å; F185-V219 HydrophobicContact CB-CG1 4.29Å; F185-V220 HydrophobicContact CD2-CG2 3.7Å; F185-V220 HydrophobicContact CE2-CG2 3.68Å; F185-Y230 WeakPolarHBondContact CB-OH 3.12Å; F185-I234 HydrophobicContact CB-CG2 3.86Å; F185-I234 HydrophobicContact CD1-CB 3.82Å; F185-I234 HydrophobicContact CD1-CG2 3.73Å; F185-I234 HydrophobicContact CD2-CB 4.33Å; F185-I234 HydrophobicContact CD2-CD1 3.97Å; F185-I234 HydrophobicContact CD2-CG2 4.29Å; F185-I234 HydrophobicContact CE1-CB 4.01Å; F185-I234 HydrophobicContact CE1-CG2 4.42Å; F185-I234 HydrophobicContact CE2-CB 4.46Å; F185-I234 HydrophobicContact CE2-CD1 3.97Å; F185-I234 HydrophobicContact CG-CB 4.02Å; F185-I234 HydrophobicContact CG-CD1 4.45Å; F185-I234 HydrophobicContact CG-CG2 3.67Å; F185-I234 HydrophobicContact CZ-CB 4.31Å; F185-I234 HydrophobicContact CZ-CD1 4.49Å; F185-L237 HydrophobicContact CD1-CB 4.45Å; F185-L237 HydrophobicContact CD1-CD1 4.27Å; F185-L237 HydrophobicContact CE1-CB 3.71Å; F185-L237 HydrophobicContact CE1-CD1 4.3Å
186G98.2Very high95.1Very high0 Ų012.8 Ų12.80%06%0.061CC..Hα-helixtrans-61.4-38.7178.400000113.5V182 S183 L184 L190V182-G186 PolarHBondContact O-N 3.19Å; S183-G186 PolarHBondContact O-N 3.42Å; L184-G186 VanDerWaalsContact C-N 3.33Å; L184-G186 PolarHBondContact O-N 3.18Å; G186-L190 WeakPolarHBondContact O-CG 3.37Å; G186-L190 PolarHBondContact O-N 2.8Å
187L97.5Very high94.3Very high16 Ų1616.1 Ų16.18%0.0848%0.076CC..Hα-helixtrans-65.2-41.7174.5-75.7168.3000112.2L118 F119 C122 R138 S183 L184 F185 E191L118-L187 HydrophobicContact CB-CD1 4.47Å; L118-L187 HydrophobicContact CD2-CD1 4.07Å; L118-L187 HydrophobicContact CD2-CD2 4.38Å; L118-L187 HydrophobicContact CG-CD1 4.25Å; L118-L187 HydrophobicContact CG-CD2 3.99Å; F119-L187 HydrophobicContact CB-CD1 4.42Å; F119-L187 HydrophobicContact CB-CD2 4.28Å; F119-L187 HydrophobicContact CB-CG 3.98Å; F119-L187 HydrophobicContact CD2-CG 4.34Å; C122-L187 HydrophobicContact CB-CD2 4.06Å; R138-L187 PolarHBondContact NH1-O 2.96Å; S183-L187 WeakPolarHBondContact O-CB 3.43Å; S183-L187 VanDerWaalsContact O-CG 3.29Å; S183-L187 WeakPolarHBondContact O-CG 3.31Å; S183-L187 PolarHBondContact O-N 2.92Å; L184-L187 PolarHBondContact O-N 3.37Å; F185-L187 VanDerWaalsContact C-N 3.34Å; F185-L187 PolarHBondContact O-N 3.3Å; L187-E191 PolarHBondContact O-N 3.35Å; L187-E191 VanDerWaalsContact O-N 3.15Å
188L97.6Very high93.4Very high16 Ų1620.4 Ų20.48%0.0849%0.092CC..Hα-helixtrans-66.5-45.2175.8-68.4166.8000111.1L184 F185 L190 E191 I192 F212 I215 Q216 V219L184-L188 HydrophobicContact CG-CD1 4.39Å; L184-L188 WeakPolarHBondContact O-CG 3.34Å; L184-L188 PolarHBondContact O-N 2.88Å; F185-L188 PolarHBondContact O-N 3.2Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 3.37Å; L188-E191 WeakPolarHBondContact O-CA 3.4Å; L188-E191 WeakPolarHBondContact O-CB 3.21Å; L188-E191 PolarHBondContact O-N 2.91Å; L188-I192 WeakPolarHBondContact O-CB 3.47Å; L188-I192 WeakPolarHBondContact O-CG1 3.5Å; L188-I192 PolarHBondContact O-N 3.39Å; L188-F212 HydrophobicContact CD2-CD1 3.79Å; L188-F212 HydrophobicContact CD2-CE1 4.42Å; L188-I215 HydrophobicContact CD1-CG2 4Å; L188-I215 HydrophobicContact CD2-CG2 4.15Å; L188-Q216 HydrophobicContact CB-CB 4.22Å; L188-Q216 HydrophobicContact CB-CG 4.17Å; L188-Q216 HydrophobicContact CD1-CB 3.9Å; L188-Q216 HydrophobicContact CD1-CG 4.27Å; L188-V219 HydrophobicContact CD1-CB 4.43Å; L188-V219 HydrophobicContact CD1-CG2 3.96Å
189F96.6Very high92.2Very high13 Ų1320.7 Ų20.76%0.0579%0.094CC..Hα-helixtrans-52.9-50173.6166.1-95.3000111.5F185 E191 I192 L193 L237 I240 E241F185-F189 HydrophobicContact CE1-CB 4.25Å; F185-F189 WeakPolarHBondContact O-CB 3.32Å; F185-F189 PolarHBondContact O-N 3.5Å; F189-E191 PolarHBondContact O-N 3.12Å; F189-I192 PolarHBondContact O-N 3.23Å; F189-L193 HydrophobicContact CE1-CD2 4.36Å; F189-L193 HydrophobicContact CZ-CD2 4.28Å; F189-L193 WeakPolarHBondContact O-CB 3.47Å; F189-L193 PolarHBondContact O-N 2.94Å; F189-L237 HydrophobicContact CD1-CD1 4.22Å; F189-L237 HydrophobicContact CD1-CD2 4.3Å; F189-L237 HydrophobicContact CD2-CB 4.14Å; F189-L237 HydrophobicContact CE1-CD2 4.01Å; F189-L237 HydrophobicContact CE2-CB 4.32Å; F189-L237 WeakPolarHBondContact CE2-O 3.4Å; F189-L237 HydrophobicContact CG-CB 4.34Å; F189-L237 HydrophobicContact CG-CD1 4.34Å; F189-L237 HydrophobicContact CZ-CD2 4.17Å; F189-I240 HydrophobicContact CZ-CG2 4.45Å; F189-E241 HydrophobicContact CD2-CB 3.88Å; F189-E241 HydrophobicContact CD2-CG 4.14Å; F189-E241 WeakPolarHBondContact CD2-OE2 3.46Å; F189-E241 HydrophobicContact CE2-CB 3.86Å; F189-E241 HydrophobicContact CE2-CG 4.39Å
190L93.1Very high90.7Very high12 Ų1226.7 Ų26.76%0.06314%0.136CC..Hα-helixtrans-62.8-32.3177.6-70.6174.3000112.2F119 C122 H126 R138 G186 L188 D194F119-L190 HydrophobicContact CD2-CD1 4.32Å; F119-L190 HydrophobicContact CE2-CD1 4.23Å; C122-L190 HydrophobicContact CB-CD1 3.7Å; H126-L190 HydrophobicContact CB-CD2 4.41Å; R138-L190 PolarHBondContact NH2-O 3.46Å; G186-L190 WeakPolarHBondContact O-CG 3.37Å; G186-L190 PolarHBondContact O-N 2.8Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 3.37Å; L190-D194 VanDerWaalsContact O-CB 3.28Å; L190-D194 WeakPolarHBondContact O-CB 3.31Å; L190-D194 PolarHBondContact O-N 3.48Å
191E91.4Very high89.3Confident23 Ų2330.5 Ų30.511%0.10716%0.157CC..Hα-helixtrans-76.2-40.7-178.8-173.959.7-161.700111.9R138 L187 L188 F189 R195 F212R138-E191 IonicContact CZ-OE2 3.92Å; R138-E191 IonicContact NE-OE2 2.8Å; R138-E191 PolarHBondContact NE-OE2 3.12Å; R138-E191 VanDerWaalsContact NH2-CB 3.31Å; R138-E191 IonicContact NH2-OE2 3.88Å; R138-E191 PolarHBondContact NH2-OE2 3.24Å; L187-E191 PolarHBondContact O-N 3.35Å; L187-E191 VanDerWaalsContact O-N 3.15Å; L188-E191 WeakPolarHBondContact O-CA 3.4Å; L188-E191 WeakPolarHBondContact O-CB 3.21Å; L188-E191 PolarHBondContact O-N 2.91Å; F189-E191 PolarHBondContact O-N 3.12Å; E191-R195 WeakPolarHBondContact O-CB 3.38Å; E191-R195 WeakPolarHBondContact O-CD 3.42Å; E191-R195 VanDerWaalsContact O-CG 3.24Å; E191-R195 WeakPolarHBondContact O-CG 3.39Å; E191-R195 PolarHBondContact O-N 2.77Å; E191-R195 VanDerWaalsContact O-N 3.15Å; E191-R195 IonicContact OE1-CZ 2.82Å; E191-R195 IonicContact OE1-NE 2.75Å; E191-R195 PolarHBondContact OE1-NE 3.29Å; E191-R195 IonicContact OE1-NH2 2.99Å; E191-R195 PolarHBondContact OE1-NH2 3.33Å; E191-F212 HydrophobicContact CG-CD1 4.11Å; E191-F212 HydrophobicContact CG-CD2 4.37Å; E191-F212 HydrophobicContact CG-CE1 3.75Å; E191-F212 HydrophobicContact CG-CE2 4.07Å; E191-F212 HydrophobicContact CG-CG 4.42Å; E191-F212 HydrophobicContact CG-CZ 3.74Å
192I92Very high87.6Confident0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-59.8-51.6171.2-71.6164.9000109L188 F189 D194 R195 L196 L209 F212 I213 E241L188-I192 WeakPolarHBondContact O-CB 3.47Å; L188-I192 WeakPolarHBondContact O-CG1 3.5Å; L188-I192 PolarHBondContact O-N 3.39Å; F189-I192 PolarHBondContact O-N 3.23Å; I192-D194 PolarHBondContact O-N 3.44Å; I192-R195 WeakPolarHBondContact O-CB 3.2Å; I192-R195 PolarHBondContact O-N 2.73Å; I192-R195 VanDerWaalsContact O-N 3.16Å; I192-L196 HydrophobicContact CG2-CD1 3.75Å; I192-L196 HydrophobicContact CG2-CG 4.23Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.41Å; I192-L196 PolarHBondContact O-N 2.93Å; I192-L209 HydrophobicContact CB-CD1 4.41Å; I192-L209 HydrophobicContact CG1-CD1 4.32Å; I192-L209 HydrophobicContact CG2-CD1 3.91Å; I192-F212 HydrophobicContact CD1-CB 4.26Å; I192-F212 HydrophobicContact CG1-CB 3.85Å; I192-I213 HydrophobicContact CD1-CG1 3.9Å; I192-I213 HydrophobicContact CG1-CG1 4.44Å; I192-E241 HydrophobicContact CG2-CG 4.08Å
193L89.1Confident86Confident21 Ų2134.6 Ų34.611%0.1118%0.184CC..Hα-helixtrans-59-49.5-179.3-171.864.1000112.8F189 R195 L196 E197 F244F189-L193 HydrophobicContact CE1-CD2 4.36Å; F189-L193 HydrophobicContact CZ-CD2 4.28Å; F189-L193 WeakPolarHBondContact O-CB 3.47Å; F189-L193 PolarHBondContact O-N 2.94Å; L193-R195 PolarHBondContact O-N 3.45Å; L193-L196 PolarHBondContact O-N 2.81Å; L193-L196 VanDerWaalsContact O-N 3.13Å; L193-E197 HydrophobicContact CD1-CG 4.49Å; L193-E197 WeakPolarHBondContact O-CB 3.31Å; L193-E197 WeakPolarHBondContact O-CG 3.49Å; L193-E197 PolarHBondContact O-N 3.35Å; L193-F244 HydrophobicContact CD1-CD1 4Å; L193-F244 HydrophobicContact CD1-CD2 4.49Å; L193-F244 HydrophobicContact CD1-CE1 3.9Å; L193-F244 HydrophobicContact CD1-CE2 4.4Å; L193-F244 HydrophobicContact CD1-CG 4.29Å; L193-F244 HydrophobicContact CD1-CZ 4.11Å
194D86.1Confident84.2Confident13 Ų1340.2 Ų40.27%0.0722%0.218CC..Hα-helixtrans-60.5-31.9178.8-171.649.1000111.7K141 L190 I192 R198K141-D194 IonicContact NZ-OD1 3.44Å; K141-D194 PolarHBondContact NZ-OD1 3.05Å; K141-D194 IonicContact NZ-OD2 2.67Å; L190-D194 VanDerWaalsContact O-CB 3.28Å; L190-D194 WeakPolarHBondContact O-CB 3.31Å; L190-D194 PolarHBondContact O-N 3.48Å; I192-D194 PolarHBondContact O-N 3.44Å; D194-R198 VanDerWaalsContact CG-CZ 3.4Å; D194-R198 VanDerWaalsContact CG-NH1 3.27Å; D194-R198 VanDerWaalsContact CG-NH2 3.31Å; D194-R198 WeakPolarHBondContact O-CB 3.45Å; D194-R198 VanDerWaalsContact O-CG 3.26Å; D194-R198 WeakPolarHBondContact O-CG 3.16Å; D194-R198 PolarHBondContact O-N 3.25Å; D194-R198 IonicContact OD1-CZ 3.2Å; D194-R198 IonicContact OD1-NE 3.75Å; D194-R198 IonicContact OD1-NH1 3.62Å; D194-R198 IonicContact OD1-NH2 4Å; D194-R198 PolarHBondContact OD1-NH2 3.44Å; D194-R198 IonicContact OD2-CZ 2.98Å; D194-R198 IonicContact OD2-NH1 2.68Å; D194-R198 PolarHBondContact OD2-NH1 2.89Å; D194-R198 IonicContact OD2-NH2 2.72Å; D194-R198 PolarHBondContact OD2-NH2 3.08Å
195R85.6Confident83.2Confident57 Ų5740.2 Ų40.222%0.21522%0.218CC..Hα-helixtrans-75.2-41.4174.2-73172.6-176.6-83.3-9.3112.8E191 I192 L193 E197 R198 S199 S208 F212E191-R195 WeakPolarHBondContact O-CB 3.38Å; E191-R195 WeakPolarHBondContact O-CD 3.42Å; E191-R195 VanDerWaalsContact O-CG 3.24Å; E191-R195 WeakPolarHBondContact O-CG 3.39Å; E191-R195 PolarHBondContact O-N 2.77Å; E191-R195 VanDerWaalsContact O-N 3.15Å; E191-R195 IonicContact OE1-CZ 2.82Å; E191-R195 IonicContact OE1-NE 2.75Å; E191-R195 PolarHBondContact OE1-NE 3.29Å; E191-R195 IonicContact OE1-NH2 2.99Å; E191-R195 PolarHBondContact OE1-NH2 3.33Å; I192-R195 WeakPolarHBondContact O-CB 3.2Å; I192-R195 PolarHBondContact O-N 2.73Å; I192-R195 VanDerWaalsContact O-N 3.16Å; L193-R195 PolarHBondContact O-N 3.45Å; R195-E197 VanDerWaalsContact C-N 3.29Å; R195-E197 PolarHBondContact O-N 3Å; R195-R198 PolarHBondContact O-N 3.3Å; R195-S199 PolarHBondContact O-N 3.24Å; R195-S199 PolarHBondContact O-OG 2.95Å; R195-S208 PolarHBondContact NH1-OG 3.19Å; R195-F212 VanDerWaalsContact CZ-CE2 3.48Å
196L84.9Confident82.5Confident1 Ų143.3 Ų43.31%0.00523%0.232CC..Hα-helixtrans-67.6-30.4177-65.9176.4000111.8I192 L193 S199 L202 L209 F244 I245 K248 F249I192-L196 HydrophobicContact CG2-CD1 3.75Å; I192-L196 HydrophobicContact CG2-CG 4.23Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.41Å; I192-L196 PolarHBondContact O-N 2.93Å; L193-L196 PolarHBondContact O-N 2.81Å; L193-L196 VanDerWaalsContact O-N 3.13Å; L196-S199 PolarHBondContact O-OG 2.83Å; L196-L202 HydrophobicContact CD2-CD2 3.93Å; L196-L209 HydrophobicContact CD2-CD1 3.97Å; L196-L209 HydrophobicContact CD2-CD2 3.46Å; L196-L209 VanDerWaalsContact CD2-CD2 3.46Å; L196-L209 HydrophobicContact CD2-CG 4.38Å; L196-L209 HydrophobicContact CG-CD1 4.23Å; L196-F244 HydrophobicContact CB-CD1 4.26Å; L196-F244 HydrophobicContact CB-CE1 3.68Å; L196-F244 HydrophobicContact CD1-CD1 3.8Å; L196-F244 HydrophobicContact CD1-CE1 4.1Å; L196-I245 HydrophobicContact CD1-CD1 4.26Å; L196-I245 HydrophobicContact CD1-CG1 3.63Å; L196-K248 PolarHBondContact O-NZ 3.47Å; L196-F249 HydrophobicContact CB-CE2 4.06Å; L196-F249 HydrophobicContact CB-CZ 4.49Å; L196-F249 HydrophobicContact CD2-CD2 4.18Å; L196-F249 HydrophobicContact CD2-CE2 3.65Å; L196-F249 HydrophobicContact CD2-CZ 4.28Å; L196-F249 HydrophobicContact CG-CE2 4.32Å
197E82.8Confident82Confident75 Ų7551.5 Ų51.535%0.3527%0.27SS..Hα-helixtrans-74.4-41.4175.4-75.4177.4171.900112.5L193 R195 S199 F244L193-E197 HydrophobicContact CD1-CG 4.49Å; L193-E197 WeakPolarHBondContact O-CB 3.31Å; L193-E197 WeakPolarHBondContact O-CG 3.49Å; L193-E197 PolarHBondContact O-N 3.35Å; R195-E197 VanDerWaalsContact C-N 3.29Å; R195-E197 PolarHBondContact O-N 3Å; E197-S199 VanDerWaalsContact C-N 3.33Å; E197-S199 PolarHBondContact O-N 3.17Å; E197-F244 HydrophobicContact CG-CZ 4.19Å
198R79.2Confident81.6Confident91 Ų9152.4 Ų52.434%0.34328%0.277SS..Hα-helixtrans-69-26.9178.4-77.1179.3-175.4121.18.4114.6A134 L136 D194 R195A134-R198 PolarHBondContact O-NE 3.08Å; A134-R198 PolarHBondContact O-NH2 3.24Å; L136-R198 PolarHBondContact O-NH2 3.38Å; D194-R198 VanDerWaalsContact CG-CZ 3.4Å; D194-R198 VanDerWaalsContact CG-NH1 3.27Å; D194-R198 VanDerWaalsContact CG-NH2 3.31Å; D194-R198 WeakPolarHBondContact O-CB 3.45Å; D194-R198 VanDerWaalsContact O-CG 3.26Å; D194-R198 WeakPolarHBondContact O-CG 3.16Å; D194-R198 PolarHBondContact O-N 3.25Å; D194-R198 IonicContact OD1-CZ 3.2Å; D194-R198 IonicContact OD1-NE 3.75Å; D194-R198 IonicContact OD1-NH1 3.62Å; D194-R198 IonicContact OD1-NH2 4Å; D194-R198 PolarHBondContact OD1-NH2 3.44Å; D194-R198 IonicContact OD2-CZ 2.98Å; D194-R198 IonicContact OD2-NH1 2.68Å; D194-R198 PolarHBondContact OD2-NH1 2.89Å; D194-R198 IonicContact OD2-NH2 2.72Å; D194-R198 PolarHBondContact OD2-NH2 3.08Å; R195-R198 PolarHBondContact O-N 3.3Å
199S71.4Confident81.3Confident7 Ų751.7 Ų51.75%0.04927%0.274CS..  trans-86.1115.6-176.140.80000110.7R195 L196 E197R195-S199 PolarHBondContact O-N 3.24Å; R195-S199 PolarHBondContact O-OG 2.95Å; L196-S199 PolarHBondContact O-OG 2.83Å; E197-S199 VanDerWaalsContact C-N 3.33Å; E197-S199 PolarHBondContact O-N 3.17Å
200S67.7Low81.1Confident130 Ų13053 Ų5391%0.90928%0.281SS*.SBendtrans-75.6-37.2161.851.40000110.9
201D68.3Low81.1Confident87 Ų8757.3 Ų57.347%0.46530%0.303SS..SBendtrans-122.9123.4171.7-174.50.6000110.2T203D201-T203 VanDerWaalsContact C-N 3.26Å; D201-T203 PolarHBondContact O-N 3.38Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.45Å; D201-T203 PolarHBondContact OD1-N 2.78Å; D201-T203 PolarHBondContact OD1-OG1 3.15Å; D201-T203 PolarHBondContact OD2-OG1 3.17Å
202L63.4Low81.3Confident6 Ų658.2 Ų58.23%0.03131%0.307CS..G310 helixtrans-72.7-15.4-179.4-85.3176.1000113.5L196 V204 N205 K206 L209 F249 V252L196-L202 HydrophobicContact CD2-CD2 3.93Å; L202-V204 PolarHBondContact O-N 2.88Å; L202-V204 VanDerWaalsContact O-N 3.16Å; L202-N205 PolarHBondContact O-N 3.26Å; L202-N205 VanDerWaalsContact O-N 3.13Å; L202-K206 WeakPolarHBondContact O-CB 3.08Å; L202-K206 PolarHBondContact O-N 3.4Å; L202-L209 HydrophobicContact CD2-CD2 3.77Å; L202-F249 HydrophobicContact CD1-CB 3.7Å; L202-F249 HydrophobicContact CD1-CD1 3.12Å; L202-F249 HydrophobicContact CD1-CD2 3.77Å; L202-F249 HydrophobicContact CD1-CE1 3.49Å; L202-F249 VanDerWaalsContact CD1-CE1 3.49Å; L202-F249 HydrophobicContact CD1-CE2 4.1Å; L202-F249 HydrophobicContact CD1-CG 3.25Å; L202-F249 HydrophobicContact CD1-CZ 3.94Å; L202-F249 HydrophobicContact CD2-CE1 4.35Å; L202-F249 HydrophobicContact CD2-CZ 4.32Å; L202-F249 HydrophobicContact CG-CD1 3.71Å; L202-F249 HydrophobicContact CG-CE1 3.54Å; L202-F249 HydrophobicContact CG-CG 4.25Å; L202-F249 HydrophobicContact CG-CZ 3.99Å; L202-V252 HydrophobicContact CB-CG1 4.28Å; L202-V252 HydrophobicContact CB-CG2 4.42Å; L202-V252 HydrophobicContact CD1-CB 3.86Å; L202-V252 HydrophobicContact CD1-CG1 3.63Å; L202-V252 HydrophobicContact CD1-CG2 4.31Å
203T65Low81.5Confident99 Ų9958.5 Ų58.561%0.60731%0.308SS*.G310 helixtrans-54.7-36.1179.857.50000112D201D201-T203 VanDerWaalsContact C-N 3.26Å; D201-T203 PolarHBondContact O-N 3.38Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.45Å; D201-T203 PolarHBondContact OD1-N 2.78Å; D201-T203 PolarHBondContact OD1-OG1 3.15Å; D201-T203 PolarHBondContact OD2-OG1 3.17Å
204V61.8Low81.9Confident118 Ų11858 Ų5872%0.71531%0.306SS*.G310 helixtrans-70.8-32.5-178.4-176.40000112.9L202L202-V204 PolarHBondContact O-N 2.88Å; L202-V204 VanDerWaalsContact O-N 3.16Å
205N77.4Confident82.5Confident53 Ų5361 Ų6128%0.28332%0.322SS..THydrogen-bonded Turntrans-115.55.8-172.4-76.2-33.6000114.5L202 Q207 S208 L209L202-N205 PolarHBondContact O-N 3.26Å; L202-N205 VanDerWaalsContact O-N 3.13Å; N205-Q207 PolarHBondContact O-N 3.18Å; N205-S208 PolarHBondContact O-N 3.2Å; N205-L209 WeakPolarHBondContact O-CB 3.37Å; N205-L209 PolarHBondContact O-N 2.79Å
206K82.6Confident83.1Confident72 Ų7258.6 Ų58.631%0.31331%0.313SS..Hα-helixtrans-54.8-48.1-172.2-175.9179.2175.1-172.30113.6L202 L209 I210L202-K206 WeakPolarHBondContact O-CB 3.08Å; L202-K206 PolarHBondContact O-N 3.4Å; K206-L209 PolarHBondContact O-N 3.45Å; K206-I210 HydrophobicContact CG-CD1 3.82Å; K206-I210 HydrophobicContact CG-CG1 4.49Å; K206-I210 VanDerWaalsContact O-CG1 3.26Å; K206-I210 WeakPolarHBondContact O-CG1 3.43Å; K206-I210 PolarHBondContact O-N 3.07Å
207Q87.9Confident83.7Confident172 Ų17258.8 Ų58.880%0.80431%0.314SS*.Hα-helixtrans-63.7-44.6-177.5-70179.4-10.100112.1N205 L209 I210 L211N205-Q207 PolarHBondContact O-N 3.18Å; Q207-L209 VanDerWaalsContact C-N 3.34Å; Q207-L209 PolarHBondContact O-N 3.44Å; Q207-I210 PolarHBondContact O-N 3.37Å; Q207-L211 PolarHBondContact O-N 3.23Å
208S89.5Confident84.5Confident35 Ų3556.3 Ų56.325%0.24531%0.307CS..Hα-helixtrans-63.9-41.6177.6175.40000111.4R195 N205 L211 F212R195-S208 PolarHBondContact NH1-OG 3.19Å; N205-S208 PolarHBondContact O-N 3.2Å; S208-L211 WeakPolarHBondContact O-CB 3.49Å; S208-L211 PolarHBondContact O-N 3.28Å; S208-F212 WeakPolarHBondContact O-CD2 3.34Å; S208-F212 PolarHBondContact O-N 2.92Å; S208-F212 WeakPolarHBondContact OG-CE2 3.41Å
209L90.6Very high85.4Confident1 Ų152.5 Ų52.51%0.00529%0.294CS..Hα-helixtrans-64.5-43.5177.9-176.465.2000112.1I192 L196 L202 N205 K206 Q207 L211 F212 I213 L256I192-L209 HydrophobicContact CB-CD1 4.41Å; I192-L209 HydrophobicContact CG1-CD1 4.32Å; I192-L209 HydrophobicContact CG2-CD1 3.91Å; L196-L209 HydrophobicContact CD2-CD1 3.97Å; L196-L209 HydrophobicContact CD2-CD2 3.46Å; L196-L209 VanDerWaalsContact CD2-CD2 3.46Å; L196-L209 HydrophobicContact CD2-CG 4.38Å; L196-L209 HydrophobicContact CG-CD1 4.23Å; L202-L209 HydrophobicContact CD2-CD2 3.77Å; N205-L209 WeakPolarHBondContact O-CB 3.37Å; N205-L209 PolarHBondContact O-N 2.79Å; K206-L209 PolarHBondContact O-N 3.45Å; Q207-L209 VanDerWaalsContact C-N 3.34Å; Q207-L209 PolarHBondContact O-N 3.44Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 3.48Å; L209-F212 PolarHBondContact O-N 3.43Å; L209-I213 HydrophobicContact CD1-CD1 4.35Å; L209-I213 HydrophobicContact CG-CD1 4.16Å; L209-I213 WeakPolarHBondContact O-CG1 3.41Å; L209-I213 PolarHBondContact O-N 3.03Å; L209-L256 HydrophobicContact CB-CD2 4.4Å; L209-L256 HydrophobicContact CD2-CD1 3.43Å; L209-L256 VanDerWaalsContact CD2-CD1 3.43Å; L209-L256 HydrophobicContact CD2-CD2 3.73Å; L209-L256 HydrophobicContact CD2-CG 4.22Å; L209-L256 HydrophobicContact CG-CD1 4.21Å; L209-L256 HydrophobicContact CG-CD2 3.86Å
210I92.7Very high86.7Confident39 Ų3953.8 Ų53.820%0.230%0.301CS..Hα-helixtrans-56.9-47.3173.4-70.7166.8000109.9K206 Q207 F212 I213 C214 I255 L256K206-I210 HydrophobicContact CG-CD1 3.82Å; K206-I210 HydrophobicContact CG-CG1 4.49Å; K206-I210 VanDerWaalsContact O-CG1 3.26Å; K206-I210 WeakPolarHBondContact O-CG1 3.43Å; K206-I210 PolarHBondContact O-N 3.07Å; Q207-I210 PolarHBondContact O-N 3.37Å; I210-F212 PolarHBondContact O-N 3.42Å; I210-I213 PolarHBondContact O-N 2.9Å; I210-C214 WeakPolarHBondContact O-CB 3.29Å; I210-C214 PolarHBondContact O-N 2.83Å; I210-C214 PolarHBondContact O-SG 3.02Å; I210-I255 HydrophobicContact CD1-CG2 4.07Å; I210-L256 HydrophobicContact CG1-CD2 3.68Å
211L94.7Very high88.1Confident103 Ų10347.9 Ų47.954%0.53926%0.259SS..Hα-helixtrans-57.1-47.9178.4177.464.4000112.2Q207 S208 L209 I213 C214 I215Q207-L211 PolarHBondContact O-N 3.23Å; S208-L211 WeakPolarHBondContact O-CB 3.49Å; S208-L211 PolarHBondContact O-N 3.28Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 3.48Å; L211-I213 PolarHBondContact O-N 2.78Å; L211-C214 PolarHBondContact O-N 3.4Å; L211-I215 HydrophobicContact CD1-CD1 4.06Å; L211-I215 HydrophobicContact CD1-CG1 4.39Å; L211-I215 HydrophobicContact CG-CD1 4Å; L211-I215 VanDerWaalsContact O-CG1 3.32Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 3.3Å
212F95.2Very high89.6Confident42 Ų4246.4 Ų46.418%0.18425%0.247CC..Hα-helixtrans-63.4-40.5178.8-78.9-69.4000112.6L188 E191 I192 R195 S208 L209 I210 I215 Q216L188-F212 HydrophobicContact CD2-CD1 3.79Å; L188-F212 HydrophobicContact CD2-CE1 4.42Å; E191-F212 HydrophobicContact CG-CD1 4.11Å; E191-F212 HydrophobicContact CG-CD2 4.37Å; E191-F212 HydrophobicContact CG-CE1 3.75Å; E191-F212 HydrophobicContact CG-CE2 4.07Å; E191-F212 HydrophobicContact CG-CG 4.42Å; E191-F212 HydrophobicContact CG-CZ 3.74Å; I192-F212 HydrophobicContact CD1-CB 4.26Å; I192-F212 HydrophobicContact CG1-CB 3.85Å; R195-F212 VanDerWaalsContact CZ-CE2 3.48Å; S208-F212 WeakPolarHBondContact O-CD2 3.34Å; S208-F212 PolarHBondContact O-N 2.92Å; S208-F212 WeakPolarHBondContact OG-CE2 3.41Å; L209-F212 PolarHBondContact O-N 3.43Å; I210-F212 PolarHBondContact O-N 3.42Å; F212-I215 PolarHBondContact O-N 2.92Å; F212-Q216 WeakPolarHBondContact O-CB 3.28Å; F212-Q216 PolarHBondContact O-N 3.1Å
213I95.8Very high91.2Very high6 Ų646.1 Ų46.13%0.03125%0.246CC..Hα-helixtrans-66.1-39.1176.2-71.3175.5000111.3I192 L209 I210 L211 Q216 S217 I245 L256I192-I213 HydrophobicContact CD1-CG1 3.9Å; I192-I213 HydrophobicContact CG1-CG1 4.44Å; L209-I213 HydrophobicContact CD1-CD1 4.35Å; L209-I213 HydrophobicContact CG-CD1 4.16Å; L209-I213 WeakPolarHBondContact O-CG1 3.41Å; L209-I213 PolarHBondContact O-N 3.03Å; I210-I213 PolarHBondContact O-N 2.9Å; L211-I213 PolarHBondContact O-N 2.78Å; I213-Q216 PolarHBondContact O-N 3.34Å; I213-S217 VanDerWaalsContact O-CB 3.31Å; I213-S217 WeakPolarHBondContact O-CB 3.42Å; I213-S217 PolarHBondContact O-N 3.19Å; I213-S217 PolarHBondContact O-OG 3.3Å; I213-I245 HydrophobicContact CD1-CD1 4.4Å; I213-L256 HydrophobicContact CD1-CB 3.78Å; I213-L256 HydrophobicContact CD1-CD1 4.27Å; I213-L256 HydrophobicContact CD1-CD2 3.98Å; I213-L256 HydrophobicContact CD1-CG 4.19Å
214C97.6Very high92.8Very high10 Ų1042 Ų427%0.06822%0.221CC..Hα-helixtrans-62.7-44.6174.7-700000111.7I210 L211 S217 A218 F263I210-C214 WeakPolarHBondContact O-CB 3.29Å; I210-C214 PolarHBondContact O-N 2.83Å; I210-C214 PolarHBondContact O-SG 3.02Å; L211-C214 PolarHBondContact O-N 3.4Å; C214-S217 WeakPolarHBondContact O-CB 3.28Å; C214-S217 PolarHBondContact O-N 2.69Å; C214-A218 PolarHBondContact O-N 3.14Å; C214-F263 HydrophobicContact CB-CD1 3.65Å; C214-F263 HydrophobicContact CB-CD2 4.04Å; C214-F263 HydrophobicContact CB-CE1 3.71Å; C214-F263 HydrophobicContact CB-CE2 4.09Å; C214-F263 HydrophobicContact CB-CG 3.82Å; C214-F263 HydrophobicContact CB-CZ 3.93Å; C214-F263 WeakPolarHBondContact SG-CD2 3.45Å; C214-F263 WeakPolarHBondContact SG-CE2 3.5Å
215I98Very high94.6Very high76 Ų7636.7 Ų36.739%0.3919%0.188SC..Hα-helixtrans-63.2-46.5175.7-65.9166.4000110.3L188 L211 F212 S217 A218 V219L188-I215 HydrophobicContact CD1-CG2 4Å; L188-I215 HydrophobicContact CD2-CG2 4.15Å; L211-I215 HydrophobicContact CD1-CD1 4.06Å; L211-I215 HydrophobicContact CD1-CG1 4.39Å; L211-I215 HydrophobicContact CG-CD1 4Å; L211-I215 VanDerWaalsContact O-CG1 3.32Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 3.3Å; F212-I215 PolarHBondContact O-N 2.92Å; I215-S217 VanDerWaalsContact C-N 3.28Å; I215-S217 PolarHBondContact O-N 3.26Å; I215-A218 WeakPolarHBondContact O-CB 3.45Å; I215-A218 PolarHBondContact O-N 2.99Å; I215-V219 WeakPolarHBondContact O-CG2 3.5Å; I215-V219 PolarHBondContact O-N 2.97Å
216Q98.3Very high95.5Very high8 Ų834.2 Ų34.24%0.03718%0.175CC..Hα-helixtrans-60.8-39177.5-169.2-172.936.300111.5F185 L188 F212 I213 A218 V219 V220 E241F185-Q216 HydrophobicContact CD2-CG 3.6Å; F185-Q216 HydrophobicContact CE2-CG 3.56Å; F185-Q216 HydrophobicContact CZ-CG 4.43Å; L188-Q216 HydrophobicContact CB-CB 4.22Å; L188-Q216 HydrophobicContact CB-CG 4.17Å; L188-Q216 HydrophobicContact CD1-CB 3.9Å; L188-Q216 HydrophobicContact CD1-CG 4.27Å; F212-Q216 WeakPolarHBondContact O-CB 3.28Å; F212-Q216 PolarHBondContact O-N 3.1Å; I213-Q216 PolarHBondContact O-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.15Å; Q216-V219 WeakPolarHBondContact O-CB 3.37Å; Q216-V219 PolarHBondContact O-N 2.95Å; Q216-V220 VanDerWaalsContact O-CG2 3.29Å; Q216-V220 WeakPolarHBondContact O-CG2 3.4Å; Q216-V220 PolarHBondContact O-N 3.39Å; Q216-E241 PolarHBondContact NE2-OE2 3.37Å; Q216-E241 PolarHBondContact OE1-OE1 3Å
217S98.4Very high96.1Very high4 Ų431.5 Ų31.53%0.02816%0.163CC..Hα-helixtrans-62.7-40.8175.7-59.60000111.9I213 C214 I215 V220 V221 S260I213-S217 VanDerWaalsContact O-CB 3.31Å; I213-S217 WeakPolarHBondContact O-CB 3.42Å; I213-S217 PolarHBondContact O-N 3.19Å; I213-S217 PolarHBondContact O-OG 3.3Å; C214-S217 WeakPolarHBondContact O-CB 3.28Å; C214-S217 PolarHBondContact O-N 2.69Å; I215-S217 VanDerWaalsContact C-N 3.28Å; I215-S217 PolarHBondContact O-N 3.26Å; S217-V220 PolarHBondContact O-N 3.48Å; S217-V221 WeakPolarHBondContact O-CG2 3.35Å; S217-V221 PolarHBondContact O-N 3.34Å; S217-V221 VanDerWaalsContact O-N 3.17Å; S217-S260 WeakPolarHBondContact OG-CA 3.38Å; S217-S260 WeakPolarHBondContact OG-CB 3.46Å; S217-S260 PolarHBondContact OG-OG 3Å
218A98.2Very high96.5Very high23 Ų2324 Ų2419%0.1913%0.129CC..Hα-helixtrans-63.2-47.4172.400000111.4C214 I215 Q216 V220 V221 W222C214-A218 PolarHBondContact O-N 3.14Å; I215-A218 WeakPolarHBondContact O-CB 3.45Å; I215-A218 PolarHBondContact O-N 2.99Å; Q216-A218 PolarHBondContact O-N 3.15Å; A218-V220 PolarHBondContact O-N 2.98Å; A218-V221 PolarHBondContact O-N 3.47Å; A218-V221 VanDerWaalsContact O-N 3.14Å; A218-W222 PolarHBondContact O-N 2.89Å
219V98.4Very high96.8Very high12 Ų1223.4 Ų23.47%0.07312%0.124CC..Hα-helixtrans-55.5-40.6175.6169.30000111.5Y181 L184 F185 L188 I215 Q216 G223Y181-V219 HydrophobicContact CD1-CG1 4.03Å; L184-V219 HydrophobicContact CB-CG1 4.31Å; L184-V219 HydrophobicContact CD2-CB 4.46Å; L184-V219 HydrophobicContact CD2-CG1 4.06Å; L184-V219 HydrophobicContact CD2-CG2 3.49Å; L184-V219 VanDerWaalsContact CD2-CG2 3.49Å; L184-V219 HydrophobicContact CG-CG1 4.08Å; L184-V219 HydrophobicContact CG-CG2 3.9Å; F185-V219 HydrophobicContact CB-CG1 4.29Å; L188-V219 HydrophobicContact CD1-CB 4.43Å; L188-V219 HydrophobicContact CD1-CG2 3.96Å; I215-V219 WeakPolarHBondContact O-CG2 3.5Å; I215-V219 PolarHBondContact O-N 2.97Å; Q216-V219 WeakPolarHBondContact O-CB 3.37Å; Q216-V219 PolarHBondContact O-N 2.95Å; V219-G223 PolarHBondContact O-N 2.89Å
220V98.5Very high97.2Very high34 Ų3423.4 Ų23.421%0.20612%0.123CC..Hα-helixtrans-61.6-47.9177.4170.50000111.7F185 Q216 S217 A218 T224 Y230 I234F185-V220 HydrophobicContact CD2-CG2 3.7Å; F185-V220 HydrophobicContact CE2-CG2 3.68Å; Q216-V220 VanDerWaalsContact O-CG2 3.29Å; Q216-V220 WeakPolarHBondContact O-CG2 3.4Å; Q216-V220 PolarHBondContact O-N 3.39Å; S217-V220 PolarHBondContact O-N 3.48Å; A218-V220 PolarHBondContact O-N 2.98Å; V220-T224 WeakPolarHBondContact O-CB 3.33Å; V220-T224 PolarHBondContact O-N 3.24Å; V220-T224 PolarHBondContact O-OG1 3.33Å; V220-Y230 WeakPolarHBondContact O-CE1 3.36Å; V220-I234 HydrophobicContact CB-CD1 4.47Å; V220-I234 HydrophobicContact CG1-CD1 4.2Å; V220-I234 HydrophobicContact CG2-CD1 3.71Å
221V98.6Very high97.5Very high5 Ų524.9 Ų24.93%0.0313%0.131CC..Hα-helixtrans-65.6-52.1-179.3174.70000110.9S217 A218 G223 T224 F225 V264 N267S217-V221 WeakPolarHBondContact O-CG2 3.35Å; S217-V221 PolarHBondContact O-N 3.34Å; S217-V221 VanDerWaalsContact O-N 3.17Å; A218-V221 PolarHBondContact O-N 3.47Å; A218-V221 VanDerWaalsContact O-N 3.14Å; V221-G223 VanDerWaalsContact C-N 3.31Å; V221-G223 PolarHBondContact O-N 2.98Å; V221-T224 WeakPolarHBondContact O-CA 3.41Å; V221-T224 WeakPolarHBondContact O-CB 3.45Å; V221-T224 PolarHBondContact O-N 2.99Å; V221-F225 HydrophobicContact CG1-CD2 3.7Å; V221-F225 HydrophobicContact CG1-CE2 3.77Å; V221-F225 WeakPolarHBondContact O-CD2 3.39Å; V221-F225 PolarHBondContact O-N 2.8Å; V221-V264 HydrophobicContact CG2-CB 4.29Å; V221-V264 HydrophobicContact CG2-CG1 3.99Å; V221-V264 HydrophobicContact CG2-CG2 4.42Å; V221-N267 HydrophobicContact CB-CB 3.79Å; V221-N267 HydrophobicContact CG1-CB 3.79Å; V221-N267 HydrophobicContact CG2-CB 3.93Å
222W98.4Very high97.6Very high56 Ų5621.7 Ų21.721%0.21212%0.115CC..Hα-helixtrans-63.1-37.9-177.4-75.873000112.1A69 P73 Y181 A218 T224 F225 L226 N267A69-W222 WeakPolarHBondContact O-CZ3 3.5Å; P73-W222 HydrophobicContact CG-CE3 3.94Å; P73-W222 HydrophobicContact CG-CZ3 3.81Å; Y181-W222 HydrophobicContact CE1-CB 4.05Å; A218-W222 PolarHBondContact O-N 2.89Å; W222-T224 VanDerWaalsContact C-N 3.34Å; W222-T224 PolarHBondContact O-N 3.12Å; W222-F225 PolarHBondContact O-N 2.8Å; W222-L226 WeakPolarHBondContact O-CB 3.35Å; W222-L226 PolarHBondContact O-N 3.36Å; W222-N267 PolarHBondContact NE1-OD1 3.12Å; W222-N267 VanDerWaalsContact NE1-OD1 3.15Å
223G98.4Very high97.7Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-63.2-37.1171.400000113.2V219 V221 L226 R227 Y230V219-G223 PolarHBondContact O-N 2.89Å; V221-G223 VanDerWaalsContact C-N 3.31Å; V221-G223 PolarHBondContact O-N 2.98Å; G223-L226 WeakPolarHBondContact O-CB 3.21Å; G223-L226 PolarHBondContact O-N 2.84Å; G223-R227 PolarHBondContact O-N 3.04Å; G223-Y230 VanDerWaalsContact C-CD1 3.41Å; G223-Y230 VanDerWaalsContact O-CB 3.3Å; G223-Y230 WeakPolarHBondContact O-CB 3.29Å
224T98.4Very high97.9Very high13 Ų1320 Ų208%0.0811%0.107CC..Hα-helixtrans-70-40.6177.3-57.50000112.3V220 V221 W222 L226 R227 I231 P301V220-T224 WeakPolarHBondContact O-CB 3.33Å; V220-T224 PolarHBondContact O-N 3.24Å; V220-T224 PolarHBondContact O-OG1 3.33Å; V221-T224 WeakPolarHBondContact O-CA 3.41Å; V221-T224 WeakPolarHBondContact O-CB 3.45Å; V221-T224 PolarHBondContact O-N 2.99Å; W222-T224 VanDerWaalsContact C-N 3.34Å; W222-T224 PolarHBondContact O-N 3.12Å; T224-L226 VanDerWaalsContact C-N 3.34Å; T224-R227 CarbonylContact O-C 3.03Å; T224-R227 PolarHBondContact O-N 3.32Å; T224-I231 HydrophobicContact CG2-CD1 3.65Å; T224-I231 HydrophobicContact CG2-CG1 4.12Å; T224-I231 WeakPolarHBondContact OG1-CG1 3.48Å; T224-P301 HydrophobicContact CG2-CB 4.36Å; T224-P301 HydrophobicContact CG2-CG 4.27Å
225F98.3Very high97.9Very high6 Ų622.6 Ų22.63%0.02612%0.12CC..Hα-helixtrans-69.2-33.6174.9-87.1-99.2000111.8S67 V221 W222 T268 C271 V272 Y299 P301S67-F225 WeakPolarHBondContact CB-O 3.36Å; S67-F225 WeakPolarHBondContact OG-CD1 3.47Å; V221-F225 HydrophobicContact CG1-CD2 3.7Å; V221-F225 HydrophobicContact CG1-CE2 3.77Å; V221-F225 WeakPolarHBondContact O-CD2 3.39Å; V221-F225 PolarHBondContact O-N 2.8Å; W222-F225 PolarHBondContact O-N 2.8Å; F225-T268 HydrophobicContact CE2-CG2 4.1Å; F225-T268 HydrophobicContact CZ-CG2 4.14Å; F225-C271 HydrophobicContact CD1-CB 3.51Å; F225-C271 HydrophobicContact CD2-CB 3.81Å; F225-C271 HydrophobicContact CE1-CB 3.42Å; F225-C271 VanDerWaalsContact CE1-CB 3.42Å; F225-C271 HydrophobicContact CE2-CB 3.73Å; F225-C271 HydrophobicContact CG-CB 3.7Å; F225-C271 HydrophobicContact CZ-CB 3.52Å; F225-V272 HydrophobicContact CE1-CG2 4.23Å; F225-V272 HydrophobicContact CZ-CG2 3.88Å; F225-Y299 HydrophobicContact CE1-CD2 4.11Å; F225-Y299 HydrophobicContact CE1-CE2 4.3Å; F225-Y299 AromaticContact CE2-CE2 3.95Å; F225-Y299 HydrophobicContact CE2-CE2 3.95Å; F225-Y299 AromaticContact CZ-CD2 3.68Å; F225-Y299 HydrophobicContact CZ-CD2 3.68Å; F225-Y299 AromaticContact CZ-CE2 3.55Å; F225-Y299 HydrophobicContact CZ-CE2 3.55Å; F225-P301 HydrophobicContact CD1-CG 4.16Å; F225-P301 HydrophobicContact CD2-CG 4.16Å; F225-P301 HydrophobicContact CE1-CG 4.29Å; F225-P301 HydrophobicContact CE2-CG 4.28Å; F225-P301 HydrophobicContact CG-CG 4.12Å; F225-P301 HydrophobicContact CZ-CG 4.35Å
226L97.7Very high97.8Very high1 Ų119.5 Ų19.51%0.00511%0.105CC..Hα-helixtrans-58.7-51169.5178.875.2000110.6G70 M71 V174 W177 E178 Y181 W222 G223 T224G70-L226 WeakPolarHBondContact O-CD1 3.31Å; M71-L226 HydrophobicContact CB-CD1 4.41Å; M71-L226 HydrophobicContact CG-CD1 3.77Å; V174-L226 HydrophobicContact CG1-CD1 4.12Å; V174-L226 HydrophobicContact CG1-CD2 4.37Å; V174-L226 HydrophobicContact CG1-CG 3.95Å; W177-L226 HydrophobicContact CB-CD2 3.55Å; W177-L226 HydrophobicContact CE3-CD1 3.86Å; E178-L226 HydrophobicContact CG-CD2 4.07Å; Y181-L226 HydrophobicContact CD2-CD2 3.65Å; Y181-L226 HydrophobicContact CE2-CB 4.22Å; Y181-L226 HydrophobicContact CE2-CD2 3.77Å; Y181-L226 HydrophobicContact CE2-CG 4.49Å; W222-L226 WeakPolarHBondContact O-CB 3.35Å; W222-L226 PolarHBondContact O-N 3.36Å; G223-L226 WeakPolarHBondContact O-CB 3.21Å; G223-L226 PolarHBondContact O-N 2.84Å; T224-L226 VanDerWaalsContact C-N 3.34Å
227R95.6Very high97.8Very high16 Ų1619.5 Ų19.56%0.0611%0.105CC..  trans-159130.7171.3-154.4176.9176.4108.8-6.4111.1V174 E178 G223 T224 T229 Y230V174-R227 HydrophobicContact CG1-CB 4.25Å; E178-R227 HydrophobicContact CG-CB 3.95Å; E178-R227 WeakPolarHBondContact OE1-CB 3.23Å; E178-R227 VanDerWaalsContact OE2-CD 3.26Å; E178-R227 WeakPolarHBondContact OE2-CD 3.49Å; G223-R227 PolarHBondContact O-N 3.04Å; T224-R227 CarbonylContact O-C 3.03Å; T224-R227 PolarHBondContact O-N 3.32Å; R227-T229 WeakPolarHBondContact CD-OG1 3.3Å; R227-T229 VanDerWaalsContact CG-OG1 3.27Å; R227-T229 WeakPolarHBondContact CG-OG1 3.36Å; R227-T229 PolarHBondContact O-N 3.36Å; R227-T229 VanDerWaalsContact O-N 3.09Å; R227-Y230 WeakPolarHBondContact O-CB 3.45Å; R227-Y230 PolarHBondContact O-N 2.73Å
228P96.2Very high97.7Very high15 Ų1520.4 Ų20.410%0.09712%0.116CC..THydrogen-bonded Turntrans-62.9-23.1-177.3-29.739.7000114.9Y230 I231 P301 F304 L305P228-Y230 PolarHBondContact O-N 3Å; P228-I231 PolarHBondContact O-N 3.03Å; P228-P301 HydrophobicContact CB-CB 4.49Å; P228-P301 HydrophobicContact CG-CB 3.79Å; P228-P301 HydrophobicContact CG-CG 4.49Å; P228-F304 HydrophobicContact CB-CD1 4.02Å; P228-F304 HydrophobicContact CG-CB 4.01Å; P228-F304 HydrophobicContact CG-CD1 3.55Å; P228-F304 HydrophobicContact CG-CE1 4.33Å; P228-F304 HydrophobicContact CG-CG 3.94Å; P228-L305 HydrophobicContact CB-CD2 4.18Å; P228-L305 HydrophobicContact CB-CG 4.24Å
229T95.6Very high97.6Very high22 Ų2223.6 Ų23.614%0.13513%0.128CC..THydrogen-bonded Turntrans-60.5-24.6174.143.50000113E178 R227 I231 L232 F233 L368E178-T229 PolarHBondContact OE1-OG1 2.91Å; R227-T229 WeakPolarHBondContact CD-OG1 3.3Å; R227-T229 VanDerWaalsContact CG-OG1 3.27Å; R227-T229 WeakPolarHBondContact CG-OG1 3.36Å; R227-T229 PolarHBondContact O-N 3.36Å; R227-T229 VanDerWaalsContact O-N 3.09Å; T229-I231 PolarHBondContact O-N 3.33Å; T229-I231 VanDerWaalsContact O-N 3.12Å; T229-L232 VanDerWaalsContact O-CB 3.3Å; T229-L232 WeakPolarHBondContact O-CB 3.49Å; T229-L232 PolarHBondContact O-N 3.29Å; T229-F233 WeakPolarHBondContact O-CD2 3.47Å; T229-F233 WeakPolarHBondContact O-CE2 3.31Å; T229-L368 HydrophobicContact CG2-CD2 4.09Å
230Y98.3Very high97.4Very high0 Ų025.7 Ų25.70%014%0.139CC..Hα-helixtrans-47.8-41.9178167.3-104000113.1E178 V182 F185 V220 G223 R227 P228 L232 F233 I234E178-Y230 PolarHBondContact OE1-N 3.47Å; E178-Y230 VanDerWaalsContact OE1-N 3.11Å; V182-Y230 HydrophobicContact CG2-CD2 3.88Å; V182-Y230 HydrophobicContact CG2-CE2 3.8Å; F185-Y230 WeakPolarHBondContact CB-OH 3.12Å; V220-Y230 WeakPolarHBondContact O-CE1 3.36Å; G223-Y230 VanDerWaalsContact C-CD1 3.41Å; G223-Y230 VanDerWaalsContact O-CB 3.3Å; G223-Y230 WeakPolarHBondContact O-CB 3.29Å; R227-Y230 WeakPolarHBondContact O-CB 3.45Å; R227-Y230 PolarHBondContact O-N 2.73Å; P228-Y230 PolarHBondContact O-N 3Å; Y230-L232 PolarHBondContact O-N 3.01Å; Y230-F233 PolarHBondContact O-N 3.25Å; Y230-F233 VanDerWaalsContact O-N 3.15Å; Y230-I234 HydrophobicContact CD1-CD1 4.36Å; Y230-I234 HydrophobicContact CE1-CD1 3.54Å; Y230-I234 HydrophobicContact CE1-CG1 4.15Å; Y230-I234 HydrophobicContact CE1-CG2 4.41Å; Y230-I234 HydrophobicContact CE2-CG2 3.71Å
231I97.9Very high97.2Very high71 Ų7125 Ų2536%0.36413%0.133SC..Hα-helixtrans-56.5-37.7-178.8-66.2176.9000111.4T224 P228 T229 F233 I234 L235T224-I231 HydrophobicContact CG2-CD1 3.65Å; T224-I231 HydrophobicContact CG2-CG1 4.12Å; T224-I231 WeakPolarHBondContact OG1-CG1 3.48Å; P228-I231 PolarHBondContact O-N 3.03Å; T229-I231 PolarHBondContact O-N 3.33Å; T229-I231 VanDerWaalsContact O-N 3.12Å; I231-F233 PolarHBondContact O-N 3.32Å; I231-I234 WeakPolarHBondContact O-CG1 3.33Å; I231-I234 PolarHBondContact O-N 3.12Å; I231-L235 VanDerWaalsContact O-CB 3.32Å; I231-L235 WeakPolarHBondContact O-CB 3.3Å; I231-L235 PolarHBondContact O-N 3.05Å
232L97.6Very high97Very high36 Ų3628.6 Ų28.619%0.18815%0.152CC..Hα-helixtrans-59-39.4-177.4-60.1176.9000111.6T229 Y230 F363 P364 V367 L368T229-L232 VanDerWaalsContact O-CB 3.3Å; T229-L232 WeakPolarHBondContact O-CB 3.49Å; T229-L232 PolarHBondContact O-N 3.29Å; Y230-L232 PolarHBondContact O-N 3.01Å; L232-F363 HydrophobicContact CB-CE1 4.48Å; L232-F363 HydrophobicContact CD2-CE1 4.16Å; L232-F363 HydrophobicContact CD2-CZ 4.42Å; L232-P364 HydrophobicContact CB-CB 4.28Å; L232-P364 WeakPolarHBondContact O-CG 3.2Å; L232-V367 HydrophobicContact CD1-CB 4.34Å; L232-V367 HydrophobicContact CD1-CG1 3.79Å; L232-V367 HydrophobicContact CD2-CG1 3.95Å; L232-L368 HydrophobicContact CD1-CD2 4.06Å; L232-L368 HydrophobicContact CD1-CG 4.31Å
233F98.5Very high96.7Very high1 Ų129.6 Ų29.60%0.00416%0.164CC..Hα-helixtrans-75.7-33.1-174.1-51.5-69.2000113V182 T229 Y230 I231 P364 L368 F378 P381 C382V182-F233 HydrophobicContact CG2-CB 3.58Å; V182-F233 HydrophobicContact CG2-CD2 4.28Å; V182-F233 HydrophobicContact CG2-CG 4.23Å; T229-F233 WeakPolarHBondContact O-CD2 3.47Å; T229-F233 WeakPolarHBondContact O-CE2 3.31Å; Y230-F233 PolarHBondContact O-N 3.25Å; Y230-F233 VanDerWaalsContact O-N 3.15Å; I231-F233 PolarHBondContact O-N 3.32Å; F233-P364 HydrophobicContact CD1-CB 3.52Å; F233-P364 HydrophobicContact CD1-CG 3.73Å; F233-P364 HydrophobicContact CE1-CB 3.64Å; F233-P364 HydrophobicContact CE1-CG 4.36Å; F233-L368 HydrophobicContact CE1-CD1 4.09Å; F233-L368 HydrophobicContact CZ-CD1 4.02Å; F233-F378 WeakPolarHBondContact CZ-O 3.31Å; F233-P381 HydrophobicContact CB-CB 4.44Å; F233-P381 HydrophobicContact CD1-CB 3.83Å; F233-P381 HydrophobicContact CD2-CB 3.58Å; F233-P381 HydrophobicContact CD2-CG 4.1Å; F233-P381 HydrophobicContact CE1-CB 3.88Å; F233-P381 HydrophobicContact CE1-CG 4.27Å; F233-P381 HydrophobicContact CE2-CB 3.65Å; F233-P381 HydrophobicContact CE2-CG 3.66Å; F233-P381 HydrophobicContact CG-CB 3.68Å; F233-P381 HydrophobicContact CZ-CB 3.8Å; F233-P381 HydrophobicContact CZ-CG 3.76Å; F233-C382 VanDerWaalsContact CD1-SG 3.5Å; F233-C382 VanDerWaalsContact CE1-SG 3.55Å
234I98.3Very high96.2Very high10 Ų1032.5 Ų32.55%0.05118%0.176CC..Hα-helixtrans-89.6-19.4-179.861159000113.4V182 F185 V220 Y230 I231 L237 G238V182-I234 HydrophobicContact CG2-CG2 4.14Å; F185-I234 HydrophobicContact CB-CG2 3.86Å; F185-I234 HydrophobicContact CD1-CB 3.82Å; F185-I234 HydrophobicContact CD1-CG2 3.73Å; F185-I234 HydrophobicContact CD2-CB 4.33Å; F185-I234 HydrophobicContact CD2-CD1 3.97Å; F185-I234 HydrophobicContact CD2-CG2 4.29Å; F185-I234 HydrophobicContact CE1-CB 4.01Å; F185-I234 HydrophobicContact CE1-CG2 4.42Å; F185-I234 HydrophobicContact CE2-CB 4.46Å; F185-I234 HydrophobicContact CE2-CD1 3.97Å; F185-I234 HydrophobicContact CG-CB 4.02Å; F185-I234 HydrophobicContact CG-CD1 4.45Å; F185-I234 HydrophobicContact CG-CG2 3.67Å; F185-I234 HydrophobicContact CZ-CB 4.31Å; F185-I234 HydrophobicContact CZ-CD1 4.49Å; V220-I234 HydrophobicContact CB-CD1 4.47Å; V220-I234 HydrophobicContact CG1-CD1 4.2Å; V220-I234 HydrophobicContact CG2-CD1 3.71Å; Y230-I234 HydrophobicContact CD1-CD1 4.36Å; Y230-I234 HydrophobicContact CE1-CD1 3.54Å; Y230-I234 HydrophobicContact CE1-CG1 4.15Å; Y230-I234 HydrophobicContact CE1-CG2 4.41Å; Y230-I234 HydrophobicContact CE2-CG2 3.71Å; I231-I234 WeakPolarHBondContact O-CG1 3.33Å; I231-I234 PolarHBondContact O-N 3.12Å; I234-L237 PolarHBondContact O-N 3.46Å; I234-G238 PolarHBondContact O-N 3.19Å
235L97.9Very high95.8Very high65 Ų6532.2 Ų32.234%0.3417%0.174SC..Hα-helixtrans-53.3-45.3-172.1-175.469.7000113.6I231 L237 G238 I239 F363I231-L235 VanDerWaalsContact O-CB 3.32Å; I231-L235 WeakPolarHBondContact O-CB 3.3Å; I231-L235 PolarHBondContact O-N 3.05Å; L235-L237 VanDerWaalsContact C-N 3.33Å; L235-L237 PolarHBondContact O-N 3.07Å; L235-G238 PolarHBondContact O-N 3.06Å; L235-I239 HydrophobicContact CD1-CD1 4.01Å; L235-I239 HydrophobicContact CD1-CG1 4.12Å; L235-I239 HydrophobicContact CD2-CD1 4.37Å; L235-I239 HydrophobicContact CG-CD1 3.8Å; L235-I239 HydrophobicContact CG-CG1 4.3Å; L235-I239 WeakPolarHBondContact O-CG1 3.37Å; L235-I239 PolarHBondContact O-N 3.01Å; L235-F363 HydrophobicContact CB-CE1 4.37Å; L235-F363 HydrophobicContact CD2-CE1 3.69Å; L235-F363 HydrophobicContact CD2-CZ 3.71Å
236P97.1Very high95.4Very high12 Ų1236 Ų368%0.07820%0.195CC..Hα-helixtrans-61.1-40.2179-27.139.2000113.1I240 I359 F363P236-I240 VanDerWaalsContact O-CD1 3.24Å; P236-I240 WeakPolarHBondContact O-CD1 3.33Å; P236-I240 VanDerWaalsContact O-CG1 3.25Å; P236-I240 WeakPolarHBondContact O-CG1 3.43Å; P236-I240 PolarHBondContact O-N 2.91Å; P236-I359 HydrophobicContact CB-CG2 3.96Å; P236-I359 HydrophobicContact CG-CG2 4.05Å; P236-F363 HydrophobicContact CG-CD1 4.27Å
237L97.3Very high94.9Very high7 Ų741.6 Ų41.64%0.03723%0.228CC..Hα-helixtrans-67.8-44.7176.2-65.6-170.8000111.4F185 F189 I234 L235 I239 I240 E241 I356 Y385F185-L237 HydrophobicContact CD1-CB 4.45Å; F185-L237 HydrophobicContact CD1-CD1 4.27Å; F185-L237 HydrophobicContact CE1-CB 3.71Å; F185-L237 HydrophobicContact CE1-CD1 4.3Å; F189-L237 HydrophobicContact CD1-CD1 4.22Å; F189-L237 HydrophobicContact CD1-CD2 4.3Å; F189-L237 HydrophobicContact CD2-CB 4.14Å; F189-L237 HydrophobicContact CE1-CD2 4.01Å; F189-L237 HydrophobicContact CE2-CB 4.32Å; F189-L237 WeakPolarHBondContact CE2-O 3.4Å; F189-L237 HydrophobicContact CG-CB 4.34Å; F189-L237 HydrophobicContact CG-CD1 4.34Å; F189-L237 HydrophobicContact CZ-CD2 4.17Å; I234-L237 PolarHBondContact O-N 3.46Å; L235-L237 VanDerWaalsContact C-N 3.33Å; L235-L237 PolarHBondContact O-N 3.07Å; L237-I239 PolarHBondContact O-N 3.45Å; L237-I240 PolarHBondContact O-N 3.29Å; L237-E241 WeakPolarHBondContact O-CB 3.39Å; L237-E241 PolarHBondContact O-N 2.93Å; L237-I356 HydrophobicContact CD2-CG2 3.46Å; L237-I356 VanDerWaalsContact CD2-CG2 3.46Å; L237-Y385 HydrophobicContact CD1-CE1 3.98Å; L237-Y385 WeakPolarHBondContact CD1-OH 3.39Å; L237-Y385 HydrophobicContact CG-CE1 4.42Å
238G96.8Very high94.3Very high24 Ų2445.1 Ų45.125%0.24724%0.244CC..Hα-helixtrans-61.4-41179.200000113.2I234 L235 E241 L242I234-G238 PolarHBondContact O-N 3.19Å; L235-G238 PolarHBondContact O-N 3.06Å; G238-E241 PolarHBondContact O-N 2.62Å; G238-L242 WeakPolarHBondContact O-CB 3.37Å; G238-L242 PolarHBondContact O-N 3.26Å
239I96.4Very high93.6Very high89 Ų8945.4 Ų45.446%0.45624%0.244SC..Hα-helixtrans-62.9-44.9175.5-69.7171.5000110.7L235 L237 L242 V243L235-I239 HydrophobicContact CD1-CD1 4.01Å; L235-I239 HydrophobicContact CD1-CG1 4.12Å; L235-I239 HydrophobicContact CD2-CD1 4.37Å; L235-I239 HydrophobicContact CG-CD1 3.8Å; L235-I239 HydrophobicContact CG-CG1 4.3Å; L235-I239 WeakPolarHBondContact O-CG1 3.37Å; L235-I239 PolarHBondContact O-N 3.01Å; L237-I239 PolarHBondContact O-N 3.45Å; I239-L242 PolarHBondContact O-N 2.67Å; I239-V243 HydrophobicContact CG2-CG2 4.28Å; I239-V243 WeakPolarHBondContact O-CB 3.29Å; I239-V243 VanDerWaalsContact O-CG2 3.26Å; I239-V243 WeakPolarHBondContact O-CG2 3.21Å; I239-V243 PolarHBondContact O-N 2.97Å
240I93.9Very high92.9Very high57 Ų5752.3 Ų52.329%0.29227%0.272SS..Hα-helixtrans-64.1-44.2-179.8-69.7162.6000110.9F189 P236 L237 V243 F244 I356F189-I240 HydrophobicContact CZ-CG2 4.45Å; P236-I240 VanDerWaalsContact O-CD1 3.24Å; P236-I240 WeakPolarHBondContact O-CD1 3.33Å; P236-I240 VanDerWaalsContact O-CG1 3.25Å; P236-I240 WeakPolarHBondContact O-CG1 3.43Å; P236-I240 PolarHBondContact O-N 2.91Å; L237-I240 PolarHBondContact O-N 3.29Å; I240-V243 PolarHBondContact O-N 3.24Å; I240-F244 VanDerWaalsContact O-CB 3.28Å; I240-F244 WeakPolarHBondContact O-CB 3.4Å; I240-F244 PolarHBondContact O-N 3.49Å; I240-I356 HydrophobicContact CD1-CB 4.03Å; I240-I356 HydrophobicContact CD1-CD1 3.74Å; I240-I356 HydrophobicContact CD1-CG1 3.5Å; I240-I356 HydrophobicContact CD1-CG2 3.44Å; I240-I356 VanDerWaalsContact CD1-CG2 3.44Å; I240-I356 HydrophobicContact CG2-CD1 4.39Å
241E94.2Very high91.9Very high18 Ų1861.6 Ų61.68%0.08431%0.308CS..Hα-helixtrans-58.4-49176.2-163.2-173.898.600111.1F189 I192 Q216 L237 G238 V243 F244 I245F189-E241 HydrophobicContact CD2-CB 3.88Å; F189-E241 HydrophobicContact CD2-CG 4.14Å; F189-E241 WeakPolarHBondContact CD2-OE2 3.46Å; F189-E241 HydrophobicContact CE2-CB 3.86Å; F189-E241 HydrophobicContact CE2-CG 4.39Å; I192-E241 HydrophobicContact CG2-CG 4.08Å; Q216-E241 PolarHBondContact NE2-OE2 3.37Å; Q216-E241 PolarHBondContact OE1-OE1 3Å; L237-E241 WeakPolarHBondContact O-CB 3.39Å; L237-E241 PolarHBondContact O-N 2.93Å; G238-E241 PolarHBondContact O-N 2.62Å; E241-V243 PolarHBondContact O-N 2.89Å; E241-F244 PolarHBondContact O-N 3.42Å; E241-I245 HydrophobicContact CG-CD1 4.08Å; E241-I245 VanDerWaalsContact O-CG1 3.32Å; E241-I245 WeakPolarHBondContact O-CG1 3.29Å; E241-I245 PolarHBondContact O-N 2.81Å
242L93.7Very high91Very high81 Ų8160.1 Ų60.142%0.42430%0.303SS..Hα-helixtrans-60.1-48.8178.7178.761.8000111.6G238 I239 F244 I245 L246G238-L242 WeakPolarHBondContact O-CB 3.37Å; G238-L242 PolarHBondContact O-N 3.26Å; I239-L242 PolarHBondContact O-N 2.67Å; L242-F244 VanDerWaalsContact C-N 3.31Å; L242-F244 PolarHBondContact O-N 3.23Å; L242-I245 PolarHBondContact O-N 3.02Å; L242-L246 HydrophobicContact CD1-CD1 3.94Å; L242-L246 HydrophobicContact CD1-CG 4.07Å; L242-L246 HydrophobicContact CG-CD1 3.89Å; L242-L246 HydrophobicContact CG-CG 4.4Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 VanDerWaalsContact O-CG 3.26Å; L242-L246 WeakPolarHBondContact O-CG 3.21Å; L242-L246 PolarHBondContact O-N 2.98Å
243V92.1Very high90.3Very high77 Ų7758.8 Ų58.847%0.46730%0.296SS..Hα-helixtrans-60.1-43.9177.8169.90000110.6I239 I240 E241 I245 L246 V247I239-V243 HydrophobicContact CG2-CG2 4.28Å; I239-V243 WeakPolarHBondContact O-CB 3.29Å; I239-V243 VanDerWaalsContact O-CG2 3.26Å; I239-V243 WeakPolarHBondContact O-CG2 3.21Å; I239-V243 PolarHBondContact O-N 2.97Å; I240-V243 PolarHBondContact O-N 3.24Å; E241-V243 PolarHBondContact O-N 2.89Å; V243-I245 PolarHBondContact O-N 3.4Å; V243-L246 PolarHBondContact O-N 2.9Å; V243-V247 HydrophobicContact CG1-CG2 4.11Å; V243-V247 WeakPolarHBondContact O-CB 3.31Å; V243-V247 VanDerWaalsContact O-CG2 3.26Å; V243-V247 WeakPolarHBondContact O-CG2 3.36Å; V243-V247 PolarHBondContact O-N 3.24Å
244F89.2Confident89.8Confident61 Ų6163.9 Ų63.927%0.26832%0.323SS..Hα-helixtrans-61.4-44.1178.6-170.6-97.4000111.8L193 L196 E197 I240 E241 L242 K248L193-F244 HydrophobicContact CD1-CD1 4Å; L193-F244 HydrophobicContact CD1-CD2 4.49Å; L193-F244 HydrophobicContact CD1-CE1 3.9Å; L193-F244 HydrophobicContact CD1-CE2 4.4Å; L193-F244 HydrophobicContact CD1-CG 4.29Å; L193-F244 HydrophobicContact CD1-CZ 4.11Å; L196-F244 HydrophobicContact CB-CD1 4.26Å; L196-F244 HydrophobicContact CB-CE1 3.68Å; L196-F244 HydrophobicContact CD1-CD1 3.8Å; L196-F244 HydrophobicContact CD1-CE1 4.1Å; E197-F244 HydrophobicContact CG-CZ 4.19Å; I240-F244 VanDerWaalsContact O-CB 3.28Å; I240-F244 WeakPolarHBondContact O-CB 3.4Å; I240-F244 PolarHBondContact O-N 3.49Å; E241-F244 PolarHBondContact O-N 3.42Å; L242-F244 VanDerWaalsContact C-N 3.31Å; L242-F244 PolarHBondContact O-N 3.23Å; F244-K248 HydrophobicContact CE1-CD 3.92Å; F244-K248 HydrophobicContact CZ-CD 3.81Å; F244-K248 WeakPolarHBondContact O-CB 3.5Å; F244-K248 PolarHBondContact O-N 2.68Å
245I89.7Confident89.3Confident7 Ų766.5 Ų66.54%0.03634%0.336CS..Hα-helixtrans-62.6-48176.6-70.8168.3000111.1L196 I213 E241 L242 V243 F249 L256L196-I245 HydrophobicContact CD1-CD1 4.26Å; L196-I245 HydrophobicContact CD1-CG1 3.63Å; I213-I245 HydrophobicContact CD1-CD1 4.4Å; E241-I245 HydrophobicContact CG-CD1 4.08Å; E241-I245 VanDerWaalsContact O-CG1 3.32Å; E241-I245 WeakPolarHBondContact O-CG1 3.29Å; E241-I245 PolarHBondContact O-N 2.81Å; L242-I245 PolarHBondContact O-N 3.02Å; V243-I245 PolarHBondContact O-N 3.4Å; I245-F249 WeakPolarHBondContact O-CA 3.36Å; I245-F249 WeakPolarHBondContact O-CB 3.39Å; I245-F249 PolarHBondContact O-N 2.82Å; I245-L256 HydrophobicContact CG2-CD1 4.13Å
246L90Very high88.9Confident87 Ų8763.5 Ų63.546%0.45532%0.32SS..Hα-helixtrans-65.6-44-177.7-70174.1000112.6L242 V243L242-L246 HydrophobicContact CD1-CD1 3.94Å; L242-L246 HydrophobicContact CD1-CG 4.07Å; L242-L246 HydrophobicContact CG-CD1 3.89Å; L242-L246 HydrophobicContact CG-CG 4.4Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 VanDerWaalsContact O-CG 3.26Å; L242-L246 WeakPolarHBondContact O-CG 3.21Å; L242-L246 PolarHBondContact O-N 2.98Å; V243-L246 PolarHBondContact O-N 2.9Å
247V87.6Confident88.7Confident117 Ų11764.8 Ų64.871%0.70933%0.329SS*.Hα-helixtrans-69.7-43.8-178.5171.20000111V243V243-V247 HydrophobicContact CG1-CG2 4.11Å; V243-V247 WeakPolarHBondContact O-CB 3.31Å; V243-V247 VanDerWaalsContact O-CG2 3.26Å; V243-V247 WeakPolarHBondContact O-CG2 3.36Å; V243-V247 PolarHBondContact O-N 3.24Å
248K82.5Confident88.5Confident90 Ų9069.5 Ų69.539%0.39135%0.354SS..Hα-helixtrans-83.6-28.9-173.3-166.5173.1174.6-172.60112.8L196 F244L196-K248 PolarHBondContact O-NZ 3.47Å; F244-K248 HydrophobicContact CE1-CD 3.92Å; F244-K248 HydrophobicContact CZ-CD 3.81Å; F244-K248 WeakPolarHBondContact O-CB 3.5Å; F244-K248 PolarHBondContact O-N 2.68Å
249F81.7Confident88.4Confident21 Ų2169.5 Ų69.59%0.09235%0.35CS..  trans-136.475.7-166.1-54.5-70.7000114.2L196 L202 I245 V252 S253L196-F249 HydrophobicContact CB-CE2 4.06Å; L196-F249 HydrophobicContact CB-CZ 4.49Å; L196-F249 HydrophobicContact CD2-CD2 4.18Å; L196-F249 HydrophobicContact CD2-CE2 3.65Å; L196-F249 HydrophobicContact CD2-CZ 4.28Å; L196-F249 HydrophobicContact CG-CE2 4.32Å; L202-F249 HydrophobicContact CD1-CB 3.7Å; L202-F249 HydrophobicContact CD1-CD1 3.12Å; L202-F249 HydrophobicContact CD1-CD2 3.77Å; L202-F249 HydrophobicContact CD1-CE1 3.49Å; L202-F249 VanDerWaalsContact CD1-CE1 3.49Å; L202-F249 HydrophobicContact CD1-CE2 4.1Å; L202-F249 HydrophobicContact CD1-CG 3.25Å; L202-F249 HydrophobicContact CD1-CZ 3.94Å; L202-F249 HydrophobicContact CD2-CE1 4.35Å; L202-F249 HydrophobicContact CD2-CZ 4.32Å; L202-F249 HydrophobicContact CG-CD1 3.71Å; L202-F249 HydrophobicContact CG-CE1 3.54Å; L202-F249 HydrophobicContact CG-CG 4.25Å; L202-F249 HydrophobicContact CG-CZ 3.99Å; I245-F249 WeakPolarHBondContact O-CA 3.36Å; I245-F249 WeakPolarHBondContact O-CB 3.39Å; I245-F249 PolarHBondContact O-N 2.82Å; F249-V252 HydrophobicContact CB-CB 4.47Å; F249-S253 WeakPolarHBondContact O-CB 3.31Å; F249-S253 PolarHBondContact O-N 3.33Å; F249-S253 PolarHBondContact O-OG 3.33Å
250K79.3Confident88.4Confident168 Ų16867 Ų6773%0.7334%0.34SS*.Hα-helixtrans-41.5-78.1-176.8-63.2-176.4178.9-178.30114.8S253K250-S253 PolarHBondContact O-OG 3.48Å
251Y77.6Confident88.5Confident194 Ų19468.7 Ų68.776%0.76135%0.353SS*.Hα-helixtrans-75.4-33.7-172.8-61.1-70.1000113.6S253 I254Y251-S253 VanDerWaalsContact C-N 3.27Å; Y251-S253 PolarHBondContact O-N 2.91Å; Y251-I254 PolarHBondContact O-N 3Å
252V78.6Confident88.7Confident41 Ų4171.7 Ų71.725%0.24837%0.372CS..Hα-helixtrans-68.7-30.7-179.5-174.90000111L202 F249 I254 I255 L256L202-V252 HydrophobicContact CB-CG1 4.28Å; L202-V252 HydrophobicContact CB-CG2 4.42Å; L202-V252 HydrophobicContact CD1-CB 3.86Å; L202-V252 HydrophobicContact CD1-CG1 3.63Å; L202-V252 HydrophobicContact CD1-CG2 4.31Å; F249-V252 HydrophobicContact CB-CB 4.47Å; V252-I254 PolarHBondContact O-N 3.46Å; V252-I255 PolarHBondContact O-N 3.24Å; V252-I255 VanDerWaalsContact O-N 3.1Å; V252-L256 HydrophobicContact CG1-CD1 4.15Å; V252-L256 HydrophobicContact CG1-CG 4.19Å; V252-L256 WeakPolarHBondContact O-CG 3.33Å; V252-L256 PolarHBondContact O-N 2.84Å; V252-L256 VanDerWaalsContact O-N 3.15Å
253S83.4Confident88.9Confident7 Ų771.5 Ų71.55%0.04937%0.368CS..Hα-helixtrans-55.2-36.817568.70000112.6F249 K250 Y251 I255 L256 C257F249-S253 WeakPolarHBondContact O-CB 3.31Å; F249-S253 PolarHBondContact O-N 3.33Å; F249-S253 PolarHBondContact O-OG 3.33Å; K250-S253 PolarHBondContact O-OG 3.48Å; Y251-S253 VanDerWaalsContact C-N 3.27Å; Y251-S253 PolarHBondContact O-N 2.91Å; S253-I255 PolarHBondContact O-N 3.46Å; S253-L256 PolarHBondContact O-N 2.66Å; S253-C257 VanDerWaalsContact O-CB 3.25Å; S253-C257 WeakPolarHBondContact O-CB 3.2Å; S253-C257 PolarHBondContact O-N 2.92Å; S253-C257 PolarHBondContact O-SG 3.09Å
254I87.5Confident89.2Confident109 Ų10970.3 Ų70.356%0.55936%0.361SS*.Hα-helixtrans-60.3-45.9178.3-61.3174.5000110.6Y251 V252 C257 L258Y251-I254 PolarHBondContact O-N 3Å; V252-I254 PolarHBondContact O-N 3.46Å; I254-C257 PolarHBondContact O-N 2.9Å; I254-L258 WeakPolarHBondContact O-CB 3.13Å; I254-L258 PolarHBondContact O-N 3.49Å
255I89Confident89.6Confident65 Ų6574.7 Ų74.733%0.33338%0.38SS..Hα-helixtrans-67.4-41.6-178-61.1177.7000110.7I210 V252 S253 S259I210-I255 HydrophobicContact CD1-CG2 4.07Å; V252-I255 PolarHBondContact O-N 3.24Å; V252-I255 VanDerWaalsContact O-N 3.1Å; S253-I255 PolarHBondContact O-N 3.46Å; I255-S259 WeakPolarHBondContact O-CB 3.4Å; I255-S259 PolarHBondContact O-N 2.93Å; I255-S259 PolarHBondContact O-OG 3.18Å
256L90.1Very high90Very high1 Ų178.6 Ų78.61%0.00540%0.401CS..Hα-helixtrans-65.5-46.7177.9-60.8176.2000111.3L209 I210 I213 I245 V252 S253 S259 S260L209-L256 HydrophobicContact CB-CD2 4.4Å; L209-L256 HydrophobicContact CD2-CD1 3.43Å; L209-L256 VanDerWaalsContact CD2-CD1 3.43Å; L209-L256 HydrophobicContact CD2-CD2 3.73Å; L209-L256 HydrophobicContact CD2-CG 4.22Å; L209-L256 HydrophobicContact CG-CD1 4.21Å; L209-L256 HydrophobicContact CG-CD2 3.86Å; I210-L256 HydrophobicContact CG1-CD2 3.68Å; I213-L256 HydrophobicContact CD1-CB 3.78Å; I213-L256 HydrophobicContact CD1-CD1 4.27Å; I213-L256 HydrophobicContact CD1-CD2 3.98Å; I213-L256 HydrophobicContact CD1-CG 4.19Å; I245-L256 HydrophobicContact CG2-CD1 4.13Å; V252-L256 HydrophobicContact CG1-CD1 4.15Å; V252-L256 HydrophobicContact CG1-CG 4.19Å; V252-L256 WeakPolarHBondContact O-CG 3.33Å; V252-L256 PolarHBondContact O-N 2.84Å; V252-L256 VanDerWaalsContact O-N 3.15Å; S253-L256 PolarHBondContact O-N 2.66Å; L256-S259 PolarHBondContact O-N 3.32Å; L256-S260 PolarHBondContact O-N 3.43Å
257C91.7Very high90.4Very high40 Ų4075.5 Ų75.527%0.2739%0.385SS..Hα-helixtrans-63.6-44177.5-66.20000111.2S253 I254 S259 S260 V261S253-C257 VanDerWaalsContact O-CB 3.25Å; S253-C257 WeakPolarHBondContact O-CB 3.2Å; S253-C257 PolarHBondContact O-N 2.92Å; S253-C257 PolarHBondContact O-SG 3.09Å; I254-C257 PolarHBondContact O-N 2.9Å; C257-S259 VanDerWaalsContact C-N 3.34Å; C257-S259 PolarHBondContact O-N 2.79Å; C257-S260 WeakPolarHBondContact O-CB 3.46Å; C257-S260 PolarHBondContact O-N 2.63Å; C257-V261 WeakPolarHBondContact O-CG2 3.41Å; C257-V261 PolarHBondContact O-N 3.48Å
258L93.6Very high90.9Very high106 Ų10671.6 Ų71.656%0.55536%0.361SS*.Hα-helixtrans-62.6-41.8177.2-175.862.6000111.5I254 S260 V261 V262I254-L258 WeakPolarHBondContact O-CB 3.13Å; I254-L258 PolarHBondContact O-N 3.49Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 2.78Å; L258-V261 PolarHBondContact O-N 2.88Å; L258-V262 HydrophobicContact CD1-CG2 4.33Å; L258-V262 HydrophobicContact CG-CG2 4.47Å; L258-V262 WeakPolarHBondContact O-CB 3.43Å; L258-V262 VanDerWaalsContact O-CG2 3.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.49Å; L258-V262 PolarHBondContact O-N 3.39Å
259S93.9Very high91.6Very high23 Ų2372.9 Ų72.916%0.16137%0.367CS..Hα-helixtrans-60.5-42.8175.5-560000111.2I255 L256 C257 F263I255-S259 WeakPolarHBondContact O-CB 3.4Å; I255-S259 PolarHBondContact O-N 2.93Å; I255-S259 PolarHBondContact O-OG 3.18Å; L256-S259 PolarHBondContact O-N 3.32Å; C257-S259 VanDerWaalsContact C-N 3.34Å; C257-S259 PolarHBondContact O-N 2.79Å; S259-F263 WeakPolarHBondContact O-CD2 3.33Å; S259-F263 PolarHBondContact O-N 3.12Å; S259-F263 VanDerWaalsContact O-N 3.1Å
260S96.2Very high92.3Very high36 Ų3674.6 Ų74.625%0.25238%0.379SS..Hα-helixtrans-61.1-51.2174.9-175.80000111.9S217 L256 C257 L258 V262 F263 V264S217-S260 WeakPolarHBondContact OG-CA 3.38Å; S217-S260 WeakPolarHBondContact OG-CB 3.46Å; S217-S260 PolarHBondContact OG-OG 3Å; L256-S260 PolarHBondContact O-N 3.43Å; C257-S260 WeakPolarHBondContact O-CB 3.46Å; C257-S260 PolarHBondContact O-N 2.63Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 2.78Å; S260-V262 VanDerWaalsContact C-N 3.35Å; S260-V262 PolarHBondContact O-N 2.98Å; S260-F263 PolarHBondContact O-N 2.95Å; S260-F263 VanDerWaalsContact O-N 3.14Å; S260-V264 WeakPolarHBondContact O-CG2 3.41Å; S260-V264 PolarHBondContact O-N 3.46Å
261V97.1Very high93.2Very high94 Ų9466.6 Ų66.657%0.5734%0.344SS*.Hα-helixtrans-58.3-45.4-179.4170.90000111.5C257 L258 F263 V264 F265C257-V261 WeakPolarHBondContact O-CG2 3.41Å; C257-V261 PolarHBondContact O-N 3.48Å; L258-V261 PolarHBondContact O-N 2.88Å; V261-F263 VanDerWaalsContact C-N 3.35Å; V261-F263 PolarHBondContact O-N 2.65Å; V261-V264 PolarHBondContact O-N 2.9Å; V261-F265 PolarHBondContact O-N 3.29Å
262V97.8Very high94.1Very high80 Ų8058.2 Ų58.249%0.48531%0.314SS..Hα-helixtrans-61-43.7177.61710000111.1L258 S260 F265 L266L258-V262 HydrophobicContact CD1-CG2 4.33Å; L258-V262 HydrophobicContact CG-CG2 4.47Å; L258-V262 WeakPolarHBondContact O-CB 3.43Å; L258-V262 VanDerWaalsContact O-CG2 3.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.49Å; L258-V262 PolarHBondContact O-N 3.39Å; S260-V262 VanDerWaalsContact C-N 3.35Å; S260-V262 PolarHBondContact O-N 2.98Å; V262-F265 PolarHBondContact O-N 2.86Å; V262-L266 WeakPolarHBondContact O-CB 3.25Å; V262-L266 PolarHBondContact O-N 3.1Å
263F97.8Very high94.8Very high77 Ų7757.7 Ų57.734%0.33831%0.309SS..Hα-helixtrans-72.7-32.8179.8-91.8-106000113.4C214 S259 S260 V261 N267C214-F263 HydrophobicContact CB-CD1 3.65Å; C214-F263 HydrophobicContact CB-CD2 4.04Å; C214-F263 HydrophobicContact CB-CE1 3.71Å; C214-F263 HydrophobicContact CB-CE2 4.09Å; C214-F263 HydrophobicContact CB-CG 3.82Å; C214-F263 HydrophobicContact CB-CZ 3.93Å; C214-F263 WeakPolarHBondContact SG-CD2 3.45Å; C214-F263 WeakPolarHBondContact SG-CE2 3.5Å; S259-F263 WeakPolarHBondContact O-CD2 3.33Å; S259-F263 PolarHBondContact O-N 3.12Å; S259-F263 VanDerWaalsContact O-N 3.1Å; S260-F263 PolarHBondContact O-N 2.95Å; S260-F263 VanDerWaalsContact O-N 3.14Å; V261-F263 VanDerWaalsContact C-N 3.35Å; V261-F263 PolarHBondContact O-N 2.65Å; F263-N267 WeakPolarHBondContact O-CB 3.37Å; F263-N267 PolarHBondContact O-N 3.11Å; F263-N267 PolarHBondContact O-ND2 2.98Å
264V98.3Very high95.4Very high53 Ų5359.7 Ų59.732%0.32132%0.319SS..Hα-helixtrans-61.8-48.3170.5169.10000109.7V221 S260 V261 T268V221-V264 HydrophobicContact CG2-CB 4.29Å; V221-V264 HydrophobicContact CG2-CG1 3.99Å; V221-V264 HydrophobicContact CG2-CG2 4.42Å; S260-V264 WeakPolarHBondContact O-CG2 3.41Å; S260-V264 PolarHBondContact O-N 3.46Å; V261-V264 PolarHBondContact O-N 2.9Å; V264-T268 VanDerWaalsContact O-CB 3.26Å; V264-T268 WeakPolarHBondContact O-CB 3.43Å; V264-T268 PolarHBondContact O-N 3.13Å; V264-T268 PolarHBondContact O-OG1 3.12Å
265F98.1Very high95.8Very high152 Ų15254.5 Ų54.567%0.66729%0.292SS*.Hα-helixtrans-61.5-48178-178.7-96.4000111.7V261 V262 N267 T268 F269V261-F265 PolarHBondContact O-N 3.29Å; V262-F265 PolarHBondContact O-N 2.86Å; F265-N267 PolarHBondContact O-N 3.19Å; F265-T268 PolarHBondContact O-N 3.09Å; F265-F269 WeakPolarHBondContact O-CB 3.4Å; F265-F269 PolarHBondContact O-N 2.77Å
266L98.2Very high96.1Very high89 Ų8951.5 Ų51.547%0.46628%0.277SS..Hα-helixtrans-58.7-48.8179.6-179.267.4000112V262 F269 V270V262-L266 WeakPolarHBondContact O-CB 3.25Å; V262-L266 PolarHBondContact O-N 3.1Å; L266-F269 PolarHBondContact O-N 2.89Å; L266-V270 WeakPolarHBondContact O-CG2 3.19Å; L266-V270 PolarHBondContact O-N 3.41Å
267N98.4Very high96.3Very high22 Ų2251.7 Ų51.712%0.11828%0.278CS..Hα-helixtrans-68.4-37179.3-79.7-89.7000111.6V221 W222 F263 F265 F269 V270 C271V221-N267 HydrophobicContact CB-CB 3.79Å; V221-N267 HydrophobicContact CG1-CB 3.79Å; V221-N267 HydrophobicContact CG2-CB 3.93Å; W222-N267 PolarHBondContact NE1-OD1 3.12Å; W222-N267 VanDerWaalsContact NE1-OD1 3.15Å; F263-N267 WeakPolarHBondContact O-CB 3.37Å; F263-N267 PolarHBondContact O-N 3.11Å; F263-N267 PolarHBondContact O-ND2 2.98Å; F265-N267 PolarHBondContact O-N 3.19Å; N267-F269 VanDerWaalsContact C-N 3.31Å; N267-F269 PolarHBondContact O-N 3.08Å; N267-V270 PolarHBondContact O-N 3.3Å; N267-C271 PolarHBondContact O-N 3.12Å; N267-C271 PolarHBondContact O-SG 2.83Å; N267-C271 VanDerWaalsContact O-SG 3.37Å
268T98.4Very high96.5Very high35 Ų3552 Ų5222%0.21527%0.274CS..Hα-helixtrans-62.5-44.5177.2-60.30000109.9F225 V264 F265 V270 C271 V272 Y299F225-T268 HydrophobicContact CE2-CG2 4.1Å; F225-T268 HydrophobicContact CZ-CG2 4.14Å; V264-T268 VanDerWaalsContact O-CB 3.26Å; V264-T268 WeakPolarHBondContact O-CB 3.43Å; V264-T268 PolarHBondContact O-N 3.13Å; V264-T268 PolarHBondContact O-OG1 3.12Å; F265-T268 PolarHBondContact O-N 3.09Å; T268-V270 PolarHBondContact O-N 2.87Å; T268-C271 PolarHBondContact O-N 3.37Å; T268-V272 HydrophobicContact CG2-CG2 4.39Å; T268-V272 WeakPolarHBondContact O-CB 3.29Å; T268-V272 VanDerWaalsContact O-CG2 3.3Å; T268-V272 WeakPolarHBondContact O-CG2 3.37Å; T268-V272 PolarHBondContact O-N 3.31Å; T268-Y299 HydrophobicContact CG2-CE2 4.2Å
269F96.7Very high96.5Very high117 Ų11747.8 Ų47.851%0.51325%0.251SS..Hα-helixtrans-57.7-48.8174.4-179.7-100.5000111.5F265 L266 N267 C271 V272 I273F265-F269 WeakPolarHBondContact O-CB 3.4Å; F265-F269 PolarHBondContact O-N 2.77Å; L266-F269 PolarHBondContact O-N 2.89Å; N267-F269 VanDerWaalsContact C-N 3.31Å; N267-F269 PolarHBondContact O-N 3.08Å; F269-C271 PolarHBondContact O-N 2.88Å; F269-V272 PolarHBondContact O-N 3.24Å; F269-I273 HydrophobicContact CD1-CG1 4.24Å; F269-I273 HydrophobicContact CD2-CG1 4.34Å; F269-I273 HydrophobicContact CE1-CG1 3.87Å; F269-I273 HydrophobicContact CE2-CD1 4.04Å; F269-I273 HydrophobicContact CE2-CG1 3.99Å; F269-I273 HydrophobicContact CG-CG1 4.46Å; F269-I273 HydrophobicContact CZ-CD1 3.93Å; F269-I273 HydrophobicContact CZ-CG1 3.74Å; F269-I273 VanDerWaalsContact O-CG1 3.27Å; F269-I273 WeakPolarHBondContact O-CG1 3.37Å; F269-I273 PolarHBondContact O-N 3.36Å
270V96.5Very high96.5Very high57 Ų5748.7 Ų48.735%0.34525%0.252SS..Hα-helixtrans-57.6-48.4177.3170.50000111.8L266 N267 T268 I273 I274L266-V270 WeakPolarHBondContact O-CG2 3.19Å; L266-V270 PolarHBondContact O-N 3.41Å; N267-V270 PolarHBondContact O-N 3.3Å; T268-V270 PolarHBondContact O-N 2.87Å; V270-I273 PolarHBondContact O-N 2.89Å; V270-I274 HydrophobicContact CG1-CD1 3.77Å; V270-I274 HydrophobicContact CG1-CG1 4.48Å; V270-I274 WeakPolarHBondContact O-CG1 3.45Å; V270-I274 PolarHBondContact O-N 3.05Å
271C98Very high96.3Very high0 Ų054.2 Ų54.20%028%0.279CS..Hα-helixtrans-64.3-41.7179.7-66.30000112.4A69 F225 N267 T268 F269 I273 I274 D275A69-C271 HydrophobicContact CB-CB 4.07Å; F225-C271 HydrophobicContact CD1-CB 3.51Å; F225-C271 HydrophobicContact CD2-CB 3.81Å; F225-C271 HydrophobicContact CE1-CB 3.42Å; F225-C271 VanDerWaalsContact CE1-CB 3.42Å; F225-C271 HydrophobicContact CE2-CB 3.73Å; F225-C271 HydrophobicContact CG-CB 3.7Å; F225-C271 HydrophobicContact CZ-CB 3.52Å; N267-C271 PolarHBondContact O-N 3.12Å; N267-C271 PolarHBondContact O-SG 2.83Å; N267-C271 VanDerWaalsContact O-SG 3.37Å; T268-C271 PolarHBondContact O-N 3.37Å; F269-C271 PolarHBondContact O-N 2.88Å; C271-I273 VanDerWaalsContact C-N 3.35Å; C271-I273 PolarHBondContact O-N 2.97Å; C271-I274 PolarHBondContact O-N 3.46Å; C271-D275 WeakPolarHBondContact O-CB 3.29Å; C271-D275 PolarHBondContact O-N 3.06Å
272V96.8Very high96Very high19 Ų1950.9 Ų50.912%0.11526%0.259CS..Hα-helixtrans-61.3-43.3175.4170.10000111.1F225 T268 F269 T276 L297 Y299F225-V272 HydrophobicContact CE1-CG2 4.23Å; F225-V272 HydrophobicContact CZ-CG2 3.88Å; T268-V272 HydrophobicContact CG2-CG2 4.39Å; T268-V272 WeakPolarHBondContact O-CB 3.29Å; T268-V272 VanDerWaalsContact O-CG2 3.3Å; T268-V272 WeakPolarHBondContact O-CG2 3.37Å; T268-V272 PolarHBondContact O-N 3.31Å; F269-V272 PolarHBondContact O-N 3.24Å; V272-T276 VanDerWaalsContact O-CB 3.22Å; V272-T276 WeakPolarHBondContact O-CB 3.15Å; V272-T276 PolarHBondContact O-N 2.97Å; V272-T276 PolarHBondContact O-OG1 3.41Å; V272-L297 HydrophobicContact CG1-CB 4.22Å; V272-L297 HydrophobicContact CG1-CD2 4.46Å; V272-Y299 HydrophobicContact CG2-CD2 3.81Å; V272-Y299 HydrophobicContact CG2-CG 4.46Å
273I94.5Very high95.4Very high30 Ų3049.5 Ų49.515%0.15425%0.253CS..Hα-helixtrans-65-45.6178.8-67.2-64000110.9F269 V270 C271 D275 T276 L277 F292F269-I273 HydrophobicContact CD1-CG1 4.24Å; F269-I273 HydrophobicContact CD2-CG1 4.34Å; F269-I273 HydrophobicContact CE1-CG1 3.87Å; F269-I273 HydrophobicContact CE2-CD1 4.04Å; F269-I273 HydrophobicContact CE2-CG1 3.99Å; F269-I273 HydrophobicContact CG-CG1 4.46Å; F269-I273 HydrophobicContact CZ-CD1 3.93Å; F269-I273 HydrophobicContact CZ-CG1 3.74Å; F269-I273 VanDerWaalsContact O-CG1 3.27Å; F269-I273 WeakPolarHBondContact O-CG1 3.37Å; F269-I273 PolarHBondContact O-N 3.36Å; V270-I273 PolarHBondContact O-N 2.89Å; C271-I273 VanDerWaalsContact C-N 3.35Å; C271-I273 PolarHBondContact O-N 2.97Å; I273-D275 PolarHBondContact O-N 2.72Å; I273-T276 PolarHBondContact O-N 3.43Å; I273-L277 HydrophobicContact CG2-CD1 3.74Å; I273-L277 HydrophobicContact CG2-CG 4.29Å; I273-L277 WeakPolarHBondContact O-CB 3.18Å; I273-L277 VanDerWaalsContact O-CG 3.22Å; I273-L277 WeakPolarHBondContact O-CG 3.32Å; I273-L277 PolarHBondContact O-N 2.8Å; I273-F292 HydrophobicContact CD1-CD1 4.11Å; I273-F292 HydrophobicContact CD1-CE1 3.75Å; I273-F292 HydrophobicContact CD1-CZ 4.05Å; I273-F292 HydrophobicContact CG2-CE1 4.4Å; I273-F292 HydrophobicContact CG2-CZ 4.14Å
274I95.3Very high94.6Very high49 Ų4951.7 Ų51.725%0.25127%0.267SS..Hα-helixtrans-58.6-50.2177.2-69.4167.5000110.8A69 V270 C271 L277 Y278A69-I274 HydrophobicContact CB-CB 3.93Å; A69-I274 HydrophobicContact CB-CD1 4.21Å; A69-I274 HydrophobicContact CB-CG2 3.7Å; V270-I274 HydrophobicContact CG1-CD1 3.77Å; V270-I274 HydrophobicContact CG1-CG1 4.48Å; V270-I274 WeakPolarHBondContact O-CG1 3.45Å; V270-I274 PolarHBondContact O-N 3.05Å; C271-I274 PolarHBondContact O-N 3.46Å; I274-L277 PolarHBondContact O-N 3.17Å; I274-Y278 WeakPolarHBondContact O-CB 3.3Å; I274-Y278 PolarHBondContact O-N 3.05Å
275D96.2Very high93.9Very high0 Ų056.6 Ų56.60%029%0.291CS..Hα-helixtrans-63.8-44.4-179.9-77-9.6000110.9S67 V68 A69 C271 I273 L277 Y278 F279 I298 T300S67-D275 VanDerWaalsContact CA-OD2 3.29Å; S67-D275 WeakPolarHBondContact CA-OD2 3.41Å; S67-D275 WeakPolarHBondContact CB-OD2 3.27Å; S67-D275 PolarHBondContact OG-OD1 3.27Å; S67-D275 PolarHBondContact OG-OD2 3.29Å; V68-D275 PolarHBondContact N-OD1 2.92Å; A69-D275 PolarHBondContact N-OD1 2.95Å; C271-D275 WeakPolarHBondContact O-CB 3.29Å; C271-D275 PolarHBondContact O-N 3.06Å; I273-D275 PolarHBondContact O-N 2.72Å; D275-L277 PolarHBondContact O-N 3.35Å; D275-Y278 PolarHBondContact O-N 2.86Å; D275-F279 HydrophobicContact CB-CD2 4.23Å; D275-F279 HydrophobicContact CB-CE2 4.18Å; D275-F279 WeakPolarHBondContact O-CD2 3.38Å; D275-F279 PolarHBondContact O-N 3.01Å; D275-I298 HydrophobicContact CB-CB 4.47Å; D275-I298 HydrophobicContact CB-CG2 4.37Å; D275-T300 HydrophobicContact CB-CG2 4.4Å; D275-T300 VanDerWaalsContact OD2-CG2 3.32Å; D275-T300 WeakPolarHBondContact OD2-CG2 3.48Å; D275-T300 PolarHBondContact OD2-OG1 3.42Å
276T95.4Very high93.3Very high1 Ų153.9 Ų53.91%0.00628%0.28CS..Hα-helixtrans-60-46.7179.7-57.40000111.3V272 I273 H280 F295 L297 I298V272-T276 VanDerWaalsContact O-CB 3.22Å; V272-T276 WeakPolarHBondContact O-CB 3.15Å; V272-T276 PolarHBondContact O-N 2.97Å; V272-T276 PolarHBondContact O-OG1 3.41Å; I273-T276 PolarHBondContact O-N 3.43Å; T276-H280 WeakPolarHBondContact O-CB 3.26Å; T276-H280 PolarHBondContact O-N 3.46Å; T276-H280 PolarHBondContact O-ND1 3.37Å; T276-F295 HydrophobicContact CG2-CB 4.17Å; T276-L297 HydrophobicContact CG2-CD2 4.38Å; T276-I298 PolarHBondContact OG1-N 3.48Å
277L94.4Very high92.6Very high5 Ų550.5 Ų50.53%0.02627%0.265CS..Hα-helixtrans-62.9-45177.3-69.3171.5000111.4I273 I274 D275 H280 N281 V282 L284 A287 F292I273-L277 HydrophobicContact CG2-CD1 3.74Å; I273-L277 HydrophobicContact CG2-CG 4.29Å; I273-L277 WeakPolarHBondContact O-CB 3.18Å; I273-L277 VanDerWaalsContact O-CG 3.22Å; I273-L277 WeakPolarHBondContact O-CG 3.32Å; I273-L277 PolarHBondContact O-N 2.8Å; I274-L277 PolarHBondContact O-N 3.17Å; D275-L277 PolarHBondContact O-N 3.35Å; L277-H280 PolarHBondContact O-N 2.85Å; L277-N281 PolarHBondContact O-N 2.89Å; L277-V282 HydrophobicContact CB-CB 4.48Å; L277-V282 HydrophobicContact CD2-CB 3.82Å; L277-V282 HydrophobicContact CD2-CG1 3.59Å; L277-V282 PolarHBondContact O-N 2.9Å; L277-L284 HydrophobicContact CD1-CD2 3.89Å; L277-A287 HydrophobicContact CD1-CB 3.62Å; L277-A287 HydrophobicContact CD2-CB 4.09Å; L277-F292 HydrophobicContact CD1-CZ 4.45Å; L277-F292 HydrophobicContact CD2-CE1 3.9Å; L277-F292 HydrophobicContact CD2-CZ 3.78Å; L277-F292 HydrophobicContact CG-CE1 4.2Å; L277-F292 HydrophobicContact CG-CZ 4.2Å
278Y94.6Very high91.9Very high48 Ų4859 Ų5919%0.18830%0.301CS..Hα-helixtrans-58.7-52.4179178.7-89.5000112.1V41 D45 R53 V68 I274 D275 H280 N281V41-Y278 VanDerWaalsContact CG1-OH 3.29Å; V41-Y278 WeakPolarHBondContact CG1-OH 3.33Å; D45-Y278 PolarHBondContact OD1-OH 3.44Å; D45-Y278 WeakPolarHBondContact OD2-CE2 3.45Å; D45-Y278 PolarHBondContact OD2-OH 2.91Å; R53-Y278 PolarHBondContact NH1-OH 3.26Å; V68-Y278 HydrophobicContact CB-CD1 4.21Å; V68-Y278 HydrophobicContact CB-CD2 4.3Å; V68-Y278 HydrophobicContact CB-CE1 4.47Å; V68-Y278 HydrophobicContact CB-CG 4.12Å; V68-Y278 HydrophobicContact CG1-CD2 3.92Å; V68-Y278 HydrophobicContact CG1-CE2 4.02Å; V68-Y278 HydrophobicContact CG1-CG 4.24Å; V68-Y278 HydrophobicContact CG2-CD1 3.48Å; V68-Y278 VanDerWaalsContact CG2-CD1 3.48Å; V68-Y278 HydrophobicContact CG2-CD2 4.12Å; V68-Y278 HydrophobicContact CG2-CE1 3.38Å; V68-Y278 HydrophobicContact CG2-CE2 4Å; V68-Y278 HydrophobicContact CG2-CG 3.85Å; I274-Y278 WeakPolarHBondContact O-CB 3.3Å; I274-Y278 PolarHBondContact O-N 3.05Å; D275-Y278 PolarHBondContact O-N 2.86Å; Y278-H280 VanDerWaalsContact C-N 3.28Å; Y278-H280 PolarHBondContact O-N 3.01Å; Y278-N281 PolarHBondContact O-N 3.35Å; Y278-N281 VanDerWaalsContact O-N 3.07Å
279F95.1Very high91.2Very high16 Ų1665.5 Ų65.57%0.0733%0.329CS..Hα-helixtrans-71.9-21.1-174.5-72.9-64.9000114.1P64 R66 V68 D275 N281 I298 T300P64-F279 HydrophobicContact CB-CD1 3.79Å; P64-F279 HydrophobicContact CB-CD2 4.11Å; P64-F279 HydrophobicContact CB-CE1 3.34Å; P64-F279 HydrophobicContact CB-CE2 3.68Å; P64-F279 HydrophobicContact CB-CG 4.18Å; P64-F279 HydrophobicContact CB-CZ 3.28Å; P64-F279 HydrophobicContact CG-CD1 3.83Å; P64-F279 HydrophobicContact CG-CD2 3.52Å; P64-F279 HydrophobicContact CG-CE1 3.83Å; P64-F279 HydrophobicContact CG-CE2 3.5Å; P64-F279 HydrophobicContact CG-CG 3.7Å; P64-F279 HydrophobicContact CG-CZ 3.67Å; R66-F279 WeakPolarHBondContact O-CZ 3.21Å; V68-F279 HydrophobicContact CG2-CZ 4.29Å; D275-F279 HydrophobicContact CB-CD2 4.23Å; D275-F279 HydrophobicContact CB-CE2 4.18Å; D275-F279 WeakPolarHBondContact O-CD2 3.38Å; D275-F279 PolarHBondContact O-N 3.01Å; F279-N281 VanDerWaalsContact C-N 3.34Å; F279-I298 HydrophobicContact CB-CG1 4.41Å; F279-I298 HydrophobicContact CD2-CB 4.47Å; F279-I298 HydrophobicContact CD2-CG2 3.85Å; F279-I298 HydrophobicContact CE2-CG2 4.28Å; F279-T300 HydrophobicContact CE2-CG2 4.1Å
280H93.3Very high90.5Very high43 Ų4361.4 Ų61.420%0.19931%0.314CS..THydrogen-bonded Turntrans-93.210.3172.7-64.795.6000113.1T276 L277 Y278 V282 F295 E296T276-H280 WeakPolarHBondContact O-CB 3.26Å; T276-H280 PolarHBondContact O-N 3.46Å; T276-H280 PolarHBondContact O-ND1 3.37Å; L277-H280 PolarHBondContact O-N 2.85Å; Y278-H280 VanDerWaalsContact C-N 3.28Å; Y278-H280 PolarHBondContact O-N 3.01Å; H280-V282 HydrophobicContact CB-CG2 4.08Å; H280-V282 PolarHBondContact O-N 3.18Å; H280-F295 HydrophobicContact CB-CD1 3.77Å; H280-F295 HydrophobicContact CB-CE1 3.75Å; H280-F295 AromaticContact CD2-CD1 3.45Å; H280-F295 VanDerWaalsContact CD2-CD1 3.45Å; H280-F295 WeakPolarHBondContact CD2-CD1 3.46Å; H280-F295 AromaticContact CG-CD1 3.44Å; H280-F295 VanDerWaalsContact CG-CD1 3.44Å; H280-F295 AromaticContact CG-CE1 3.92Å; H280-F295 AromaticContact ND1-CD1 3.92Å; H280-F295 AromaticContact NE2-CD1 3.92Å; H280-E296 PolarHBondContact CE1-O 3.05Å; H280-E296 VanDerWaalsContact CE1-O 3.28Å
281N91Very high89.9Confident152 Ų15262.3 Ų62.381%0.81332%0.317SS*.THydrogen-bonded Turntrans54.934.7-178.6-60.6-47000113.6L277 Y278 F279L277-N281 PolarHBondContact O-N 2.89Å; Y278-N281 PolarHBondContact O-N 3.35Å; Y278-N281 VanDerWaalsContact O-N 3.07Å; F279-N281 VanDerWaalsContact C-N 3.34Å
282V90.9Very high89.3Confident23 Ų2365.2 Ų65.214%0.13933%0.33CS..  trans-97.9125.7177.8-178.60000108.9L277 H280 Q286 V290 F295L277-V282 HydrophobicContact CB-CB 4.48Å; L277-V282 HydrophobicContact CD2-CB 3.82Å; L277-V282 HydrophobicContact CD2-CG1 3.59Å; L277-V282 PolarHBondContact O-N 2.9Å; H280-V282 HydrophobicContact CB-CG2 4.08Å; H280-V282 PolarHBondContact O-N 3.18Å; V282-Q286 HydrophobicContact CG1-CB 3.99Å; V282-V290 HydrophobicContact CG1-CG2 3.47Å; V282-V290 VanDerWaalsContact CG1-CG2 3.47Å; V282-F295 HydrophobicContact CG2-CE1 4.26Å; V282-F295 HydrophobicContact CG2-CZ 4.16Å
283S86.6Confident88.7Confident52 Ų5270.2 Ų70.236%0.36436%0.36SS..  trans-69.1149.3177.469.10000111.6L285 Q286 A287S283-L285 PolarHBondContact O-N 2.6Å; S283-L285 VanDerWaalsContact O-N 3.17Å; S283-Q286 PolarHBondContact O-N 3.49Å; S283-Q286 VanDerWaalsContact OG-CG 3.25Å; S283-Q286 WeakPolarHBondContact OG-CG 3.41Å; S283-Q286 PolarHBondContact OG-N 2.67Å; S283-Q286 PolarHBondContact OG-OE1 2.95Å; S283-A287 PolarHBondContact O-N 2.71Å
284L81.2Confident88.2Confident122 Ų12276 Ų7664%0.63939%0.386SS*.THydrogen-bonded Turntrans-57.2-31.3175.9-76.7169.3000112.9L277 Q286 A287L277-L284 HydrophobicContact CD1-CD2 3.89Å; L284-Q286 VanDerWaalsContact C-N 3.33Å; L284-A287 WeakPolarHBondContact O-CB 3.41Å; L284-A287 PolarHBondContact O-N 3.05Å
285L83.1Confident87.8Confident156 Ų15676.3 Ų76.382%0.81739%0.386SS*.THydrogen-bonded Turntrans-67.9-33.7176.8-69.1171.4000112.2S283 A287S283-L285 PolarHBondContact O-N 2.6Å; S283-L285 VanDerWaalsContact O-N 3.17Å; L285-A287 VanDerWaalsContact C-N 3.29Å
286Q84.8Confident87.5Confident95 Ų9581.9 Ų81.944%0.44441%0.412SS..G310 helixtrans-77.7-15.2176.5-72.6163-27.600112.5V282 S283 L284 F288 Q289 V290V282-Q286 HydrophobicContact CG1-CB 3.99Å; S283-Q286 PolarHBondContact O-N 3.49Å; S283-Q286 VanDerWaalsContact OG-CG 3.25Å; S283-Q286 WeakPolarHBondContact OG-CG 3.41Å; S283-Q286 PolarHBondContact OG-N 2.67Å; S283-Q286 PolarHBondContact OG-OE1 2.95Å; L284-Q286 VanDerWaalsContact C-N 3.33Å; Q286-F288 PolarHBondContact O-N 3.28Å; Q286-Q289 PolarHBondContact O-N 2.94Å; Q286-V290 HydrophobicContact CB-CG2 4.17Å; Q286-V290 WeakPolarHBondContact O-CG2 3.31Å; Q286-V290 PolarHBondContact O-N 2.93Å
287A83.5Confident87.4Confident18 Ų1886.8 Ų86.815%0.14944%0.438CS..G310 helixtrans-52.9-34-175.700000114L277 S283 L284 L285 Q289L277-A287 HydrophobicContact CD1-CB 3.62Å; L277-A287 HydrophobicContact CD2-CB 4.09Å; S283-A287 PolarHBondContact O-N 2.71Å; L284-A287 WeakPolarHBondContact O-CB 3.41Å; L284-A287 PolarHBondContact O-N 3.05Å; L285-A287 VanDerWaalsContact C-N 3.29Å; A287-Q289 VanDerWaalsContact C-N 3.27Å; A287-Q289 PolarHBondContact O-N 3.28Å
288F83.5Confident87.4Confident201 Ų20186.6 Ų86.688%0.88244%0.437SS*.G310 helixtrans-73.4-15.8178.2-64.6-73.7000114.3Q286Q286-F288 PolarHBondContact O-N 3.28Å
289Q83.9Confident87.4Confident172 Ų17289 Ų8980%0.80445%0.446SS*.G310 helixtrans-105.6-5-179.5-62.8179.7-1800112.5Q286 A287Q286-Q289 PolarHBondContact O-N 2.94Å; A287-Q289 VanDerWaalsContact C-N 3.27Å; A287-Q289 PolarHBondContact O-N 3.28Å
290V82.6Confident87.5Confident30 Ų3088.3 Ų88.318%0.18244%0.443CS..  trans-91126.1-171.51730000109.6V282 Q286 F292 F295V282-V290 HydrophobicContact CG1-CG2 3.47Å; V282-V290 VanDerWaalsContact CG1-CG2 3.47Å; Q286-V290 HydrophobicContact CB-CG2 4.17Å; Q286-V290 WeakPolarHBondContact O-CG2 3.31Å; Q286-V290 PolarHBondContact O-N 2.93Å; V290-F292 WeakPolarHBondContact O-CD2 3.42Å; V290-F292 PolarHBondContact O-N 2.9Å; V290-F295 HydrophobicContact CG1-CD2 3.74Å; V290-F295 HydrophobicContact CG1-CE2 3.16Å; V290-F295 HydrophobicContact CG1-CZ 3.91Å
291D83.5Confident87.7Confident77 Ų7786.5 Ų86.541%0.41244%0.435SS..  trans-77.897.9170.7-178.75.5000110T293 Q294 F295D291-T293 PolarHBondContact O-N 2.84Å; D291-T293 VanDerWaalsContact O-N 3.1Å; D291-T293 WeakPolarHBondContact OD1-CB 3.3Å; D291-T293 WeakPolarHBondContact OD1-CG2 3.32Å; D291-T293 PolarHBondContact OD1-N 3.07Å; D291-T293 PolarHBondContact OD1-OG1 3.35Å; D291-T293 PolarHBondContact OD2-OG1 3.34Å; D291-Q294 HydrophobicContact CB-CG 4.33Å; D291-Q294 PolarHBondContact O-N 3.05Å; D291-Q294 VanDerWaalsContact O-N 3.16Å; D291-Q294 PolarHBondContact OD2-NE2 3.09Å; D291-F295 VanDerWaalsContact O-CD2 3.32Å; D291-F295 WeakPolarHBondContact O-CD2 3.39Å
292F84.5Confident87.9Confident61 Ų6186.2 Ų86.227%0.26842%0.424SS..G310 helixtrans-61.2-16179-76.4-83.5000114.1I273 L277 V290 Q294 F295I273-F292 HydrophobicContact CD1-CD1 4.11Å; I273-F292 HydrophobicContact CD1-CE1 3.75Å; I273-F292 HydrophobicContact CD1-CZ 4.05Å; I273-F292 HydrophobicContact CG2-CE1 4.4Å; I273-F292 HydrophobicContact CG2-CZ 4.14Å; L277-F292 HydrophobicContact CD1-CZ 4.45Å; L277-F292 HydrophobicContact CD2-CE1 3.9Å; L277-F292 HydrophobicContact CD2-CZ 3.78Å; L277-F292 HydrophobicContact CG-CE1 4.2Å; L277-F292 HydrophobicContact CG-CZ 4.2Å; V290-F292 WeakPolarHBondContact O-CD2 3.42Å; V290-F292 PolarHBondContact O-N 2.9Å; F292-Q294 PolarHBondContact O-N 2.85Å; F292-F295 PolarHBondContact O-N 3.23Å
293T84.5Confident88.1Confident124 Ų12487 Ų8776%0.76142%0.424SS*.G310 helixtrans-68.8-18.2177.169.30000112.9D291D291-T293 PolarHBondContact O-N 2.84Å; D291-T293 VanDerWaalsContact O-N 3.1Å; D291-T293 WeakPolarHBondContact OD1-CB 3.3Å; D291-T293 WeakPolarHBondContact OD1-CG2 3.32Å; D291-T293 PolarHBondContact OD1-N 3.07Å; D291-T293 PolarHBondContact OD1-OG1 3.35Å; D291-T293 PolarHBondContact OD2-OG1 3.34Å
294Q84.8Confident88.5Confident150 Ų15085 Ų8570%0.70141%0.409SS*.G310 helixtrans-86.9-10.6177.1-57.8-176.69.600112.9D291 F292D291-Q294 HydrophobicContact CB-CG 4.33Å; D291-Q294 PolarHBondContact O-N 3.05Å; D291-Q294 VanDerWaalsContact O-N 3.16Å; D291-Q294 PolarHBondContact OD2-NE2 3.09Å; F292-Q294 PolarHBondContact O-N 2.85Å
295F85.7Confident89Confident57 Ų5784.1 Ų84.125%0.2540%0.404CS..SBendtrans-105.8140-176.8-64.7-78.5000111.2T276 H280 V282 V290 D291 F292 L297T276-F295 HydrophobicContact CG2-CB 4.17Å; H280-F295 HydrophobicContact CB-CD1 3.77Å; H280-F295 HydrophobicContact CB-CE1 3.75Å; H280-F295 AromaticContact CD2-CD1 3.45Å; H280-F295 VanDerWaalsContact CD2-CD1 3.45Å; H280-F295 WeakPolarHBondContact CD2-CD1 3.46Å; H280-F295 AromaticContact CG-CD1 3.44Å; H280-F295 VanDerWaalsContact CG-CD1 3.44Å; H280-F295 AromaticContact CG-CE1 3.92Å; H280-F295 AromaticContact ND1-CD1 3.92Å; H280-F295 AromaticContact NE2-CD1 3.92Å; V282-F295 HydrophobicContact CG2-CE1 4.26Å; V282-F295 HydrophobicContact CG2-CZ 4.16Å; V290-F295 HydrophobicContact CG1-CD2 3.74Å; V290-F295 HydrophobicContact CG1-CE2 3.16Å; V290-F295 HydrophobicContact CG1-CZ 3.91Å; D291-F295 VanDerWaalsContact O-CD2 3.32Å; D291-F295 WeakPolarHBondContact O-CD2 3.39Å; F292-F295 PolarHBondContact O-N 3.23Å; F295-L297 PolarHBondContact O-N 3.21Å
296E89.8Confident89.4Confident117 Ų11779.8 Ų79.855%0.54739%0.385SS..  trans-71.2120.8165.3-170.8-174.6-177.800108.9H280 I298 R303H280-E296 PolarHBondContact CE1-O 3.05Å; H280-E296 VanDerWaalsContact CE1-O 3.28Å; E296-I298 WeakPolarHBondContact O-CD1 3.22Å; E296-I298 PolarHBondContact O-N 2.93Å; E296-R303 IonicContact OE1-CZ 2.75Å; E296-R303 IonicContact OE1-NH2 3.29Å; E296-R303 PolarHBondContact OE1-NH2 3.11Å; E296-R303 IonicContact OE2-NH2 2.78Å; E296-R303 PolarHBondContact OE2-NH2 2.56Å
297L93.2Very high89.7Confident104 Ų10476.4 Ų76.455%0.54537%0.368SS..  trans-65.6124.5177-65.8179.7000110.5V272 T276 F295 Y299V272-L297 HydrophobicContact CG1-CB 4.22Å; V272-L297 HydrophobicContact CG1-CD2 4.46Å; T276-L297 HydrophobicContact CG2-CD2 4.38Å; F295-L297 PolarHBondContact O-N 3.21Å; L297-Y299 PolarHBondContact O-N 3.5Å
298I94.6Very high89.9Confident0 Ų078.4 Ų78.40%038%0.376CS..  trans-91.7100.3-177.3-53.7-57.4000110L59 P64 D275 T276 F279 E296 T300L59-I298 HydrophobicContact CD1-CD1 3.55Å; P64-I298 HydrophobicContact CG-CG2 3.58Å; D275-I298 HydrophobicContact CB-CB 4.47Å; D275-I298 HydrophobicContact CB-CG2 4.37Å; T276-I298 PolarHBondContact OG1-N 3.48Å; F279-I298 HydrophobicContact CB-CG1 4.41Å; F279-I298 HydrophobicContact CD2-CB 4.47Å; F279-I298 HydrophobicContact CD2-CG2 3.85Å; F279-I298 HydrophobicContact CE2-CG2 4.28Å; E296-I298 WeakPolarHBondContact O-CD1 3.22Å; E296-I298 PolarHBondContact O-N 2.93Å; I298-T300 HydrophobicContact CG2-CG2 3.75Å
299Y96.4Very high89.9Confident99 Ų9973.4 Ų73.439%0.38837%0.366SS..  trans-100.589.1170-173.2-139.1000110.8F225 T268 V272 L297 P301 Y302 R303F225-Y299 HydrophobicContact CE1-CD2 4.11Å; F225-Y299 HydrophobicContact CE1-CE2 4.3Å; F225-Y299 AromaticContact CE2-CE2 3.95Å; F225-Y299 HydrophobicContact CE2-CE2 3.95Å; F225-Y299 AromaticContact CZ-CD2 3.68Å; F225-Y299 HydrophobicContact CZ-CD2 3.68Å; F225-Y299 AromaticContact CZ-CE2 3.55Å; F225-Y299 HydrophobicContact CZ-CE2 3.55Å; T268-Y299 HydrophobicContact CG2-CE2 4.2Å; V272-Y299 HydrophobicContact CG2-CD2 3.81Å; V272-Y299 HydrophobicContact CG2-CG 4.46Å; L297-Y299 PolarHBondContact O-N 3.5Å; Y299-P301 HydrophobicContact CD2-CG 4.26Å; Y299-P301 HydrophobicContact CE2-CB 4.05Å; Y299-P301 HydrophobicContact CE2-CG 3.74Å; Y299-Y302 HydrophobicContact CD1-CG 4.27Å; Y299-Y302 PolarHBondContact O-N 2.89Å; Y299-R303 PolarHBondContact O-N 3.38Å
300T96.9Very high89.8Confident2 Ų268.5 Ų68.51%0.01235%0.346CS..Hα-helixtrans-60.4-38.2-172.346.40000114.6P64 S67 D275 F279 I298 Y302 R303 F304P64-T300 HydrophobicContact CG-CG2 4.39Å; S67-T300 VanDerWaalsContact CB-OG1 3.3Å; S67-T300 WeakPolarHBondContact CB-OG1 3.47Å; D275-T300 HydrophobicContact CB-CG2 4.4Å; D275-T300 VanDerWaalsContact OD2-CG2 3.32Å; D275-T300 WeakPolarHBondContact OD2-CG2 3.48Å; D275-T300 PolarHBondContact OD2-OG1 3.42Å; F279-T300 HydrophobicContact CE2-CG2 4.1Å; I298-T300 HydrophobicContact CG2-CG2 3.75Å; T300-Y302 VanDerWaalsContact C-N 3.33Å; T300-Y302 PolarHBondContact O-N 3.08Å; T300-R303 PolarHBondContact O-N 3.11Å; T300-F304 WeakPolarHBondContact O-CB 3.35Å; T300-F304 PolarHBondContact O-N 2.94Å
301P97.1Very high89.4Confident4 Ų471.5 Ų71.53%0.02637%0.368CS..Hα-helixtrans-57.8-41.4173.1-29.638.1000114.2T224 F225 P228 Y299 F304 L305T224-P301 HydrophobicContact CG2-CB 4.36Å; T224-P301 HydrophobicContact CG2-CG 4.27Å; F225-P301 HydrophobicContact CD1-CG 4.16Å; F225-P301 HydrophobicContact CD2-CG 4.16Å; F225-P301 HydrophobicContact CE1-CG 4.29Å; F225-P301 HydrophobicContact CE2-CG 4.28Å; F225-P301 HydrophobicContact CG-CG 4.12Å; F225-P301 HydrophobicContact CZ-CG 4.35Å; P228-P301 HydrophobicContact CB-CB 4.49Å; P228-P301 HydrophobicContact CG-CB 3.79Å; P228-P301 HydrophobicContact CG-CG 4.49Å; Y299-P301 HydrophobicContact CD2-CG 4.26Å; Y299-P301 HydrophobicContact CE2-CB 4.05Å; Y299-P301 HydrophobicContact CE2-CG 3.74Å; P301-F304 PolarHBondContact O-N 3.49Å; P301-L305 VanDerWaalsContact O-CG 3.29Å; P301-L305 WeakPolarHBondContact O-CG 3.43Å; P301-L305 PolarHBondContact O-N 3.2Å
302Y95.7Very high89.3Confident147 Ų14774.4 Ų74.458%0.57638%0.379SS*.Hα-helixtrans-67.8-43.7179169.2-101.4000111.9Y299 T300 F304 L305 T306Y299-Y302 HydrophobicContact CD1-CG 4.27Å; Y299-Y302 PolarHBondContact O-N 2.89Å; T300-Y302 VanDerWaalsContact C-N 3.33Å; T300-Y302 PolarHBondContact O-N 3.08Å; Y302-F304 VanDerWaalsContact C-N 3.34Å; Y302-F304 PolarHBondContact O-N 3.33Å; Y302-L305 PolarHBondContact O-N 3Å; Y302-T306 WeakPolarHBondContact O-CB 3.24Å; Y302-T306 PolarHBondContact O-N 3.11Å; Y302-T306 PolarHBondContact O-OG1 2.96Å
303R95.2Very high89Confident38 Ų3873 Ų7314%0.14337%0.373CS..Hα-helixtrans-60.5-44.4174.7-68.5-174.3177.8-95.2-8.2111.4G63 P64 L65 E296 Y299 T300 L305 T306 Y307G63-R303 PolarHBondContact O-NH1 2.91Å; P64-R303 WeakPolarHBondContact O-CB 3.25Å; P64-R303 WeakPolarHBondContact O-CD 3.27Å; L65-R303 HydrophobicContact CD2-CB 4.11Å; E296-R303 IonicContact OE1-CZ 2.75Å; E296-R303 IonicContact OE1-NH2 3.29Å; E296-R303 PolarHBondContact OE1-NH2 3.11Å; E296-R303 IonicContact OE2-NH2 2.78Å; E296-R303 PolarHBondContact OE2-NH2 2.56Å; Y299-R303 PolarHBondContact O-N 3.38Å; T300-R303 PolarHBondContact O-N 3.11Å; R303-L305 PolarHBondContact O-N 2.89Å; R303-T306 PolarHBondContact O-N 3.19Å; R303-Y307 WeakPolarHBondContact O-CB 3.38Å; R303-Y307 PolarHBondContact O-N 3.4Å
304F94.2Very high88.4Confident12 Ų1267.4 Ų67.45%0.05334%0.339CS..Hα-helixtrans-57.3-48.6175.6179.4-88.7000112.4L65 R66 P228 T300 P301 Y302 N308L65-F304 HydrophobicContact CB-CD2 4.44Å; R66-F304 VanDerWaalsContact NH1-CD2 3.28Å; P228-F304 HydrophobicContact CB-CD1 4.02Å; P228-F304 HydrophobicContact CG-CB 4.01Å; P228-F304 HydrophobicContact CG-CD1 3.55Å; P228-F304 HydrophobicContact CG-CE1 4.33Å; P228-F304 HydrophobicContact CG-CG 3.94Å; T300-F304 WeakPolarHBondContact O-CB 3.35Å; T300-F304 PolarHBondContact O-N 2.94Å; P301-F304 PolarHBondContact O-N 3.49Å; Y302-F304 VanDerWaalsContact C-N 3.34Å; Y302-F304 PolarHBondContact O-N 3.33Å; F304-N308 VanDerWaalsContact CE2-ND2 3.28Å; F304-N308 WeakPolarHBondContact CE2-ND2 2.99Å; F304-N308 WeakPolarHBondContact CZ-ND2 3.5Å; F304-N308 WeakPolarHBondContact O-CB 2.87Å; F304-N308 PolarHBondContact O-N 3Å; F304-N308 PolarHBondContact O-ND2 3.41Å
305L92.3Very high87.8Confident102 Ų10263.2 Ų63.253%0.53433%0.326SS..Hα-helixtrans-64.8-43.2179.2-70.4172.5000111.6P228 P301 Y302 R303 N308 S309P228-L305 HydrophobicContact CB-CD2 4.18Å; P228-L305 HydrophobicContact CB-CG 4.24Å; P301-L305 VanDerWaalsContact O-CG 3.29Å; P301-L305 WeakPolarHBondContact O-CG 3.43Å; P301-L305 PolarHBondContact O-N 3.2Å; Y302-L305 PolarHBondContact O-N 3Å; R303-L305 PolarHBondContact O-N 2.89Å; L305-N308 PolarHBondContact O-N 3.33Å; L305-S309 VanDerWaalsContact O-CB 3.29Å; L305-S309 WeakPolarHBondContact O-CB 3.35Å; L305-S309 PolarHBondContact O-N 3.32Å; L305-S309 PolarHBondContact O-OG 3.01Å
306T91.2Very high87.2Confident66 Ų6664.8 Ų64.841%0.40534%0.344SS..Hα-helixtrans-61.2-48.1178.4-56.10000110.7Y302 R303 N308 S309Y302-T306 WeakPolarHBondContact O-CB 3.24Å; Y302-T306 PolarHBondContact O-N 3.11Å; Y302-T306 PolarHBondContact O-OG1 2.96Å; R303-T306 PolarHBondContact O-N 3.19Å; T306-N308 PolarHBondContact O-N 2.87Å; T306-S309 PolarHBondContact O-N 3.12Å; T306-S309 PolarHBondContact O-OG 3.08Å
307Y90.3Very high86.1Confident24 Ų2463.2 Ų63.29%0.09434%0.336CS..Hα-helixtrans-60.1-47.7178.2-177.4-90.5000112.6W55 E62 L65 R303 S309 N310 H313W55-Y307 AromaticContact NE1-CZ 3.71Å; W55-Y307 PolarHBondContact NE1-OH 3.13Å; E62-Y307 HydrophobicContact CB-CD2 4.11Å; E62-Y307 HydrophobicContact CB-CE2 3.87Å; E62-Y307 HydrophobicContact CG-CD2 4.43Å; E62-Y307 HydrophobicContact CG-CE2 4.09Å; L65-Y307 HydrophobicContact CD1-CD1 3.52Å; L65-Y307 HydrophobicContact CD1-CD2 3.89Å; L65-Y307 HydrophobicContact CD1-CE1 3.88Å; L65-Y307 HydrophobicContact CD1-CE2 4.23Å; L65-Y307 HydrophobicContact CD1-CG 3.52Å; L65-Y307 HydrophobicContact CD2-CD2 4.37Å; L65-Y307 HydrophobicContact CD2-CG 4.02Å; L65-Y307 HydrophobicContact CG-CG 4.43Å; R303-Y307 WeakPolarHBondContact O-CB 3.38Å; R303-Y307 PolarHBondContact O-N 3.4Å; Y307-S309 VanDerWaalsContact C-N 3.31Å; Y307-S309 PolarHBondContact O-N 3.4Å; Y307-N310 PolarHBondContact O-N 3.32Å; Y307-H313 HydrophobicContact CD1-CB 4.5Å; Y307-H313 AromaticContact CD2-CE1 3.83Å; Y307-H313 AromaticContact CD2-ND1 3.38Å; Y307-H313 WeakPolarHBondContact CD2-ND1 3.07Å; Y307-H313 HydrophobicContact CE1-CB 3.97Å; Y307-H313 HydrophobicContact CE2-CB 4.2Å; Y307-H313 AromaticContact CE2-CE1 3.83Å; Y307-H313 AromaticContact CE2-CG 3.77Å; Y307-H313 AromaticContact CE2-ND1 3.38Å; Y307-H313 WeakPolarHBondContact CE2-ND1 3.26Å; Y307-H313 AromaticContact CG-ND1 3.89Å; Y307-H313 AromaticContact CZ-CG 3.9Å; Y307-H313 AromaticContact CZ-ND1 3.9Å; Y307-H313 PolarHBondContact O-ND1 3.14Å
308N87.4Confident85.2Confident59 Ų5959.7 Ų59.732%0.31633%0.325SS..Hα-helixtrans-78.4-13.2-176.9-74.1-88.5000113.7F304 L305 T306 N310 V314F304-N308 VanDerWaalsContact CE2-ND2 3.28Å; F304-N308 WeakPolarHBondContact CE2-ND2 2.99Å; F304-N308 WeakPolarHBondContact CZ-ND2 3.5Å; F304-N308 WeakPolarHBondContact O-CB 2.87Å; F304-N308 PolarHBondContact O-N 3Å; F304-N308 PolarHBondContact O-ND2 3.41Å; L305-N308 PolarHBondContact O-N 3.33Å; T306-N308 PolarHBondContact O-N 2.87Å; N308-N310 VanDerWaalsContact C-N 3.28Å; N308-V314 WeakPolarHBondContact O-CG2 3.45Å
309S83.7Confident84.5Confident97 Ų9765.8 Ų65.868%0.67836%0.357SS*.Hα-helixtrans-75.3-19171.873.20000112.8L305 T306 Y307 S311L305-S309 VanDerWaalsContact O-CB 3.29Å; L305-S309 WeakPolarHBondContact O-CB 3.35Å; L305-S309 PolarHBondContact O-N 3.32Å; L305-S309 PolarHBondContact O-OG 3.01Å; T306-S309 PolarHBondContact O-N 3.12Å; T306-S309 PolarHBondContact O-OG 3.08Å; Y307-S309 VanDerWaalsContact C-N 3.31Å; Y307-S309 PolarHBondContact O-N 3.4Å; S309-S311 PolarHBondContact O-N 2.95Å
310N82.2Confident84.1Confident69 Ų6964.7 Ų64.737%0.36936%0.355SS..  trans-85.6111-179.5-171.2-13.1000111.7Y307 N308 H312 H313 V314Y307-N310 PolarHBondContact O-N 3.32Å; N308-N310 VanDerWaalsContact C-N 3.28Å; N310-H312 PolarHBondContact O-N 3.26Å; N310-H312 VanDerWaalsContact O-N 3.12Å; N310-H312 WeakPolarHBondContact OD1-CB 3.43Å; N310-H312 PolarHBondContact OD1-N 3.27Å; N310-H313 PolarHBondContact O-N 3.48Å; N310-H313 VanDerWaalsContact O-N 3.14Å; N310-V314 PolarHBondContact O-N 2.9Å
311S74.3Confident83.9Confident93 Ų9368.1 Ų68.165%0.6538%0.379SS*.Hα-helixtrans-56.1-27.6178.164.20000114.6S309 V314 S315S309-S311 PolarHBondContact O-N 2.95Å; S311-V314 PolarHBondContact O-N 3.34Å; S311-S315 VanDerWaalsContact O-CB 3.29Å; S311-S315 WeakPolarHBondContact O-CB 3.5Å; S311-S315 PolarHBondContact O-N 3.42Å; S311-S315 PolarHBondContact O-OG 3.04Å
312H80.5Confident83.7Confident137 Ų13776.9 Ų76.963%0.63441%0.412SS*.Hα-helixtrans-61.3-48.8176.6-176.6-95.4000111N310 S315N310-H312 PolarHBondContact O-N 3.26Å; N310-H312 VanDerWaalsContact O-N 3.12Å; N310-H312 WeakPolarHBondContact OD1-CB 3.43Å; N310-H312 PolarHBondContact OD1-N 3.27Å; H312-S315 PolarHBondContact O-OG 3.37Å
313H78.2Confident83.7Confident32 Ų3274.3 Ų74.315%0.14841%0.408CS..Hα-helixtrans-67.1-44.8178-56.4157000111.3E62 Y307 N310 S315 S316E62-H313 IonicContact OE1-NE2 3.44Å; Y307-H313 HydrophobicContact CD1-CB 4.5Å; Y307-H313 AromaticContact CD2-CE1 3.83Å; Y307-H313 AromaticContact CD2-ND1 3.38Å; Y307-H313 WeakPolarHBondContact CD2-ND1 3.07Å; Y307-H313 HydrophobicContact CE1-CB 3.97Å; Y307-H313 HydrophobicContact CE2-CB 4.2Å; Y307-H313 AromaticContact CE2-CE1 3.83Å; Y307-H313 AromaticContact CE2-CG 3.77Å; Y307-H313 AromaticContact CE2-ND1 3.38Å; Y307-H313 WeakPolarHBondContact CE2-ND1 3.26Å; Y307-H313 AromaticContact CG-ND1 3.89Å; Y307-H313 AromaticContact CZ-CG 3.9Å; Y307-H313 AromaticContact CZ-ND1 3.9Å; Y307-H313 PolarHBondContact O-ND1 3.14Å; N310-H313 PolarHBondContact O-N 3.48Å; N310-H313 VanDerWaalsContact O-N 3.14Å; H313-S315 VanDerWaalsContact C-N 3.29Å; H313-S315 PolarHBondContact O-N 3.45Å; H313-S316 WeakPolarHBondContact O-CB 3.42Å; H313-S316 PolarHBondContact O-N 3.28Å; H313-S316 PolarHBondContact O-OG 3.28Å
314V73Confident83.8Confident7 Ų773.2 Ų73.24%0.04241%0.405CS..Hα-helixtrans-65.2-33.3-177.1-176.10000112.1N308 N310 S311 S316 H317 P372 H373N308-V314 WeakPolarHBondContact O-CG2 3.45Å; N310-V314 PolarHBondContact O-N 2.9Å; S311-V314 PolarHBondContact O-N 3.34Å; V314-S316 PolarHBondContact O-N 2.92Å; V314-H317 PolarHBondContact O-N 2.89Å; V314-H317 VanDerWaalsContact O-N 3.08Å; V314-P372 HydrophobicContact CG1-CB 3.94Å; V314-P372 HydrophobicContact CG1-CG 4.04Å; V314-H373 HydrophobicContact CG1-CB 3.92Å
315S72.9Confident83.9Confident62 Ų6272.7 Ų72.743%0.43440%0.403SS..Hα-helixtrans-61.6-28.3179.573.20000113.4S311 H312 H313 H317 G318S311-S315 VanDerWaalsContact O-CB 3.29Å; S311-S315 WeakPolarHBondContact O-CB 3.5Å; S311-S315 PolarHBondContact O-N 3.42Å; S311-S315 PolarHBondContact O-OG 3.04Å; H312-S315 PolarHBondContact O-OG 3.37Å; H313-S315 VanDerWaalsContact C-N 3.29Å; H313-S315 PolarHBondContact O-N 3.45Å; S315-H317 PolarHBondContact O-N 3.41Å; S315-G318 PolarHBondContact O-N 3.31Å
316S73Confident84.1Confident89 Ų8971.2 Ų71.262%0.62240%0.395SS*.THydrogen-bonded Turntrans-67.4-19.7177.473.60000113.5H313 V314H313-S316 WeakPolarHBondContact O-CB 3.42Å; H313-S316 PolarHBondContact O-N 3.28Å; H313-S316 PolarHBondContact O-OG 3.28Å; V314-S316 PolarHBondContact O-N 2.92Å
317H65.4Low84.3Confident84 Ų8473.4 Ų73.439%0.38940%0.404SS..THydrogen-bonded Turntrans-91.7-6.7179.1-63.6-70000113.9V314 S315 H373V314-H317 PolarHBondContact O-N 2.89Å; V314-H317 VanDerWaalsContact O-N 3.08Å; S315-H317 PolarHBondContact O-N 3.41Å; H317-H373 HydrophobicContact CB-CB 4.31Å; H317-H373 PolarHBondContact O-ND1 3.37Å
318G75.1Confident84.7Confident30 Ų3077 Ų7731%0.30942%0.424SS..  trans101.1140.6-177.600000113.6S315 H320S315-G318 PolarHBondContact O-N 3.31Å; G318-H320 PolarHBondContact O-ND1 3.38Å
319L79.9Confident85.2Confident129 Ų12974.7 Ų74.768%0.67541%0.411SS*.  trans-97.6128.5179.9-56.9177000110.3P372L319-P372 HydrophobicContact CD2-CB 3.66Å
320H87.4Confident85.8Confident75 Ų7570.1 Ų70.135%0.34738%0.379SS..  trans-114.4154.2178.2-57.290.5000111.1G318 T324 P372 H373 Q374G318-H320 PolarHBondContact O-ND1 3.38Å; H320-T324 HydrophobicContact CB-CG2 4.37Å; H320-P372 WeakPolarHBondContact CB-O 3.3Å; H320-P372 PolarHBondContact N-O 3.26Å; H320-P372 PolarHBondContact ND1-O 3.01Å; H320-H373 AromaticContact CE1-ND1 3.41Å; H320-H373 PolarHBondContact CE1-ND1 2.66Å; H320-H373 AromaticContact ND1-ND1 3.81Å; H320-Q374 HydrophobicContact CB-CB 4.07Å; H320-Q374 HydrophobicContact CB-CG 4.32Å; H320-Q374 PolarHBondContact ND1-N 3.34Å; H320-Q374 VanDerWaalsContact ND1-N 3.17Å
321S93.5Very high86.6Confident74 Ų7468.4 Ų68.452%0.51737%0.372SS..  trans-61.8144.4169.5176.50000110.5L323 T324 Q374S321-L323 PolarHBondContact O-N 3.26Å; S321-L323 PolarHBondContact OG-N 3.33Å; S321-T324 PolarHBondContact N-OG1 3.04Å; S321-T324 VanDerWaalsContact O-CB 3.3Å; S321-T324 WeakPolarHBondContact O-CB 3.38Å; S321-T324 PolarHBondContact O-N 3.33Å; S321-T324 PolarHBondContact O-OG1 3.22Å; S321-T324 VanDerWaalsContact O-OG1 3.08Å; S321-Q374 PolarHBondContact O-NE2 3.28Å; S321-Q374 PolarHBondContact O-OE1 2.79Å
322R92.5Very high87.7Confident188 Ų18866.1 Ų66.171%0.70935%0.352SS*.THydrogen-bonded Turntrans-61.3-9.2172.2-63.1-177.5-179.6156.70.4113.5S369R322-S369 WeakPolarHBondContact O-CB 3.45Å
323L95.4Very high88.5Confident94 Ų9459.6 Ų59.649%0.49232%0.322SS..THydrogen-bonded Turntrans-98.4-2.2175.5-60.6178.7000113.4S321 H325 L326 L327S321-L323 PolarHBondContact O-N 3.26Å; S321-L323 PolarHBondContact OG-N 3.33Å; L323-H325 PolarHBondContact O-N 3.2Å; L323-L326 PolarHBondContact O-N 3.18Å; L323-L326 VanDerWaalsContact O-N 3.16Å; L323-L327 HydrophobicContact CB-CD1 3.85Å; L323-L327 HydrophobicContact CB-CG 4.18Å; L323-L327 HydrophobicContact CD1-CD1 4.2Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 PolarHBondContact O-N 3.26Å
324T97Very high89.4Confident15 Ų1558.1 Ų58.19%0.09232%0.315CS..Hα-helixtrans-59.2-44.2-176.5-68.90000111.8H320 S321 L326 I328 N329 Q374H320-T324 HydrophobicContact CB-CG2 4.37Å; S321-T324 PolarHBondContact N-OG1 3.04Å; S321-T324 VanDerWaalsContact O-CB 3.3Å; S321-T324 WeakPolarHBondContact O-CB 3.38Å; S321-T324 PolarHBondContact O-N 3.33Å; S321-T324 PolarHBondContact O-OG1 3.22Å; S321-T324 VanDerWaalsContact O-OG1 3.08Å; T324-L326 VanDerWaalsContact C-N 3.35Å; T324-L326 PolarHBondContact O-N 3.46Å; T324-I328 HydrophobicContact CG2-CB 4.38Å; T324-I328 HydrophobicContact CG2-CD1 4.3Å; T324-I328 WeakPolarHBondContact O-CA 3.29Å; T324-I328 WeakPolarHBondContact O-CB 3.15Å; T324-I328 PolarHBondContact O-N 3.28Å; T324-N329 PolarHBondContact O-N 3.36Å; T324-Q374 HydrophobicContact CG2-CB 4.24Å
325H97.2Very high90.5Very high0 Ų058 Ų580%032%0.315CS..Iπ-helixtrans-59-44.5175.7-81.2-62000113.3L323 N329 W330 T365 S369 Q374 E375 L379L323-H325 PolarHBondContact O-N 3.2Å; H325-N329 PolarHBondContact CE1-ND2 3.07Å; H325-N329 PolarHBondContact ND1-ND2 2.68Å; H325-N329 PolarHBondContact O-N 2.85Å; H325-W330 VanDerWaalsContact O-CD1 3.23Å; H325-W330 PolarHBondContact O-N 2.92Å; H325-T365 HydrophobicContact CB-CG2 4.29Å; H325-S369 WeakPolarHBondContact CB-OG 3.37Å; H325-S369 PolarHBondContact CD2-OG 3.07Å; H325-Q374 PolarHBondContact CD2-OE1 3.26Å; H325-Q374 VanDerWaalsContact N-OE1 3.12Å; H325-Q374 WeakPolarHBondContact NE2-CG 3.48Å; H325-E375 PolarHBondContact CE1-O 3.43Å; H325-E375 VanDerWaalsContact CE1-O 3.25Å; H325-L379 HydrophobicContact CB-CD1 4.13Å; H325-L379 VanDerWaalsContact ND1-CD1 3.28Å; H325-L379 WeakPolarHBondContact ND1-CD1 3.28Å; H325-L379 WeakPolarHBondContact ND1-CG 3.23Å
326L95.7Very high91.6Very high71 Ų7159 Ų5937%0.37232%0.32SS..Iπ-helixtrans-71.9-44.5-177.2-178.163000112.8L323 T324 P331 F343L323-L326 PolarHBondContact O-N 3.18Å; L323-L326 VanDerWaalsContact O-N 3.16Å; T324-L326 VanDerWaalsContact C-N 3.35Å; T324-L326 PolarHBondContact O-N 3.46Å; L326-P331 WeakPolarHBondContact O-CD 3.41Å; L326-F343 HydrophobicContact CD1-CD1 4.38Å; L326-F343 HydrophobicContact CD1-CD2 3.94Å; L326-F343 HydrophobicContact CD1-CE1 4.3Å; L326-F343 HydrophobicContact CD1-CE2 3.85Å; L326-F343 HydrophobicContact CD1-CG 4.22Å; L326-F343 HydrophobicContact CD1-CZ 4.04Å
327L96.2Very high92.5Very high113 Ų11358.1 Ų58.159%0.59231%0.308SS*.Iπ-helixtrans-94-20.8-170-61.9-178.5000114.1L323 P331L323-L327 HydrophobicContact CB-CD1 3.85Å; L323-L327 HydrophobicContact CB-CG 4.18Å; L323-L327 HydrophobicContact CD1-CD1 4.2Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 PolarHBondContact O-N 3.26Å; L327-P331 WeakPolarHBondContact O-CG 3.46Å
328I97.4Very high93.9Very high99 Ų9955.1 Ų55.151%0.50829%0.294SS..Iπ-helixtrans-121.1-57.8-175.1-55.5178.2000110.4T324 P331 L332T324-I328 HydrophobicContact CG2-CB 4.38Å; T324-I328 HydrophobicContact CG2-CD1 4.3Å; T324-I328 WeakPolarHBondContact O-CA 3.29Å; T324-I328 WeakPolarHBondContact O-CB 3.15Å; T324-I328 PolarHBondContact O-N 3.28Å; I328-P331 WeakPolarHBondContact O-CD 3.29Å; I328-L332 VanDerWaalsContact O-CB 3.25Å; I328-L332 WeakPolarHBondContact O-CB 3.25Å; I328-L332 PolarHBondContact O-N 3Å
329N98Very high94.9Very high11 Ų1154 Ų546%0.05928%0.281CS..Iπ-helixtrans-69.3-45.2-170.3-65.7-28.4000112.9T324 H325 L332 I333 A376 L379T324-N329 PolarHBondContact O-N 3.36Å; H325-N329 PolarHBondContact CE1-ND2 3.07Å; H325-N329 PolarHBondContact ND1-ND2 2.68Å; H325-N329 PolarHBondContact O-N 2.85Å; N329-L332 WeakPolarHBondContact O-CB 3.35Å; N329-L332 PolarHBondContact O-N 3.34Å; N329-I333 WeakPolarHBondContact O-CB 3.27Å; N329-I333 WeakPolarHBondContact O-CD1 3.39Å; N329-I333 WeakPolarHBondContact O-CG1 3.37Å; N329-I333 PolarHBondContact O-N 2.92Å; N329-A376 HydrophobicContact CB-CB 4.03Å; N329-A376 PolarHBondContact OD1-N 3Å; N329-L379 HydrophobicContact CB-CD1 3.82Å
330W98Very high95.6Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-62.4-49.8175.9-83.5116.2000112.5H325 L332 I333 F334 T339 L342 F343 V361 T365 L379 C382 A386H325-W330 VanDerWaalsContact O-CD1 3.23Å; H325-W330 PolarHBondContact O-N 2.92Å; W330-L332 VanDerWaalsContact C-N 3.25Å; W330-L332 PolarHBondContact O-N 3.05Å; W330-I333 PolarHBondContact O-N 2.91Å; W330-F334 HydrophobicContact CE3-CB 4.34Å; W330-F334 PolarHBondContact O-N 2.97Å; W330-T339 HydrophobicContact CB-CG2 3.65Å; W330-T339 PolarHBondContact O-OG1 3.45Å; W330-L342 HydrophobicContact CD2-CD2 4.38Å; W330-L342 HydrophobicContact CE3-CD2 4.02Å; W330-L342 HydrophobicContact CH2-CD2 4.33Å; W330-L342 HydrophobicContact CZ3-CD2 4Å; W330-F343 HydrophobicContact CB-CE2 4.2Å; W330-F343 AromaticContact CD1-CE2 3.76Å; W330-F343 AromaticContact CD1-CZ 3.62Å; W330-F343 HydrophobicContact CD2-CE2 4.25Å; W330-F343 HydrophobicContact CD2-CZ 4.31Å; W330-F343 AromaticContact CG-CE2 3.81Å; W330-F343 HydrophobicContact CG-CE2 3.81Å; W330-F343 HydrophobicContact CG-CZ 4.07Å; W330-F343 AromaticContact NE1-CZ 3.6Å; W330-V361 HydrophobicContact CH2-CG1 4Å; W330-V361 HydrophobicContact CZ2-CG1 3.65Å; W330-T365 PolarHBondContact NE1-OG1 3.47Å; W330-L379 HydrophobicContact CD2-CD1 4.04Å; W330-L379 HydrophobicContact CG-CD1 4.05Å; W330-L379 HydrophobicContact CH2-CB 4.49Å; W330-L379 HydrophobicContact CZ2-CB 4.19Å; W330-L379 HydrophobicContact CZ2-CD1 4.28Å; W330-L379 HydrophobicContact CZ2-CD2 4.32Å; W330-C382 HydrophobicContact CH2-CB 3.69Å; W330-C382 HydrophobicContact CZ2-CB 3.88Å; W330-A386 HydrophobicContact CH2-CB 4.1Å; W330-A386 HydrophobicContact CZ3-CB 4.01Å
331P97.8Very high95.8Very high33 Ų3353.7 Ų53.721%0.21427%0.272CS..Hα-helixtrans-58.5-33.5173.9-29.438.8000114.1L326 L327 I328 G335 T339L326-P331 WeakPolarHBondContact O-CD 3.41Å; L327-P331 WeakPolarHBondContact O-CG 3.46Å; I328-P331 WeakPolarHBondContact O-CD 3.29Å; P331-G335 CarbonylContact O-C 3.55Å; P331-G335 WeakPolarHBondContact O-CA 3.39Å; P331-G335 PolarHBondContact O-N 3.23Å; P331-T339 WeakPolarHBondContact CA-OG1 3.38Å; P331-T339 HydrophobicContact CG-CG2 4.05Å
332L97.7Very high95.8Very high45 Ų4550.1 Ų50.124%0.23625%0.248CC..Hα-helixtrans-65.1-53.5173.317865.3000111.2F163 I328 N329 W330 A376 H420 L424F163-L332 HydrophobicContact CE2-CD2 4.32Å; F163-L332 HydrophobicContact CE2-CG 4.03Å; F163-L332 HydrophobicContact CZ-CD2 3.97Å; F163-L332 HydrophobicContact CZ-CG 4.19Å; I328-L332 VanDerWaalsContact O-CB 3.25Å; I328-L332 WeakPolarHBondContact O-CB 3.25Å; I328-L332 PolarHBondContact O-N 3Å; N329-L332 WeakPolarHBondContact O-CB 3.35Å; N329-L332 PolarHBondContact O-N 3.34Å; W330-L332 VanDerWaalsContact C-N 3.25Å; W330-L332 PolarHBondContact O-N 3.05Å; L332-A376 HydrophobicContact CD2-CB 4Å; L332-H420 PolarHBondContact O-NE2 3.46Å; L332-L424 HydrophobicContact CD1-CD2 3.65Å; L332-L424 VanDerWaalsContact O-CD1 3.24Å; L332-L424 WeakPolarHBondContact O-CD1 3.41Å
333I97.8Very high95.9Very high1 Ų143.4 Ų43.41%0.00522%0.223CC..Hα-helixtrans-65.7-50.5-176.1-67.8163.4000111.2C161 F163 N329 W330 A376 L379 L383 Q421C161-I333 PolarHBondContact SG-O 3.45Å; C161-I333 VanDerWaalsContact SG-O 3.42Å; F163-I333 HydrophobicContact CB-CB 4.44Å; F163-I333 HydrophobicContact CB-CG1 4.25Å; F163-I333 HydrophobicContact CB-CG2 3.93Å; F163-I333 HydrophobicContact CD1-CG1 3.94Å; F163-I333 HydrophobicContact CD2-CB 4.47Å; F163-I333 HydrophobicContact CD2-CG1 4.12Å; F163-I333 HydrophobicContact CE1-CG1 4.3Å; F163-I333 HydrophobicContact CE2-CG1 4.47Å; F163-I333 HydrophobicContact CG-CB 4.39Å; F163-I333 HydrophobicContact CG-CG1 3.84Å; F163-I333 HydrophobicContact CG-CG2 4.4Å; N329-I333 WeakPolarHBondContact O-CB 3.27Å; N329-I333 WeakPolarHBondContact O-CD1 3.39Å; N329-I333 WeakPolarHBondContact O-CG1 3.37Å; N329-I333 PolarHBondContact O-N 2.92Å; W330-I333 PolarHBondContact O-N 2.91Å; I333-A376 HydrophobicContact CD1-CB 4.06Å; I333-A376 WeakPolarHBondContact CD1-O 3.41Å; I333-A376 HydrophobicContact CG1-CB 4.14Å; I333-L379 HydrophobicContact CD1-CB 3.88Å; I333-L379 HydrophobicContact CD1-CD1 4.2Å; I333-L383 HydrophobicContact CG2-CD1 4.02Å; I333-Q421 PolarHBondContact O-NE2 2.94Å
334F96.3Very high95.6Very high0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-113.96.8-163.5-151-131.1000113.3L157 W330 F338 L342 L383 V390 W417L157-F334 HydrophobicContact CD1-CZ 4.18Å; W330-F334 HydrophobicContact CE3-CB 4.34Å; W330-F334 PolarHBondContact O-N 2.97Å; F334-F338 HydrophobicContact CD1-CB 3.58Å; F334-F338 HydrophobicContact CE1-CB 3.6Å; F334-F338 HydrophobicContact CG-CB 4.26Å; F334-F338 HydrophobicContact CZ-CB 4.26Å; F334-F338 WeakPolarHBondContact O-CB 3.33Å; F334-L342 HydrophobicContact CD1-CD2 4.42Å; F334-L383 HydrophobicContact CD2-CD1 3.9Å; F334-L383 HydrophobicContact CE2-CD1 4.16Å; F334-V390 HydrophobicContact CE1-CB 3.91Å; F334-V390 HydrophobicContact CE1-CG1 4.26Å; F334-V390 HydrophobicContact CE1-CG2 3.7Å; F334-V390 HydrophobicContact CZ-CB 4.09Å; F334-V390 HydrophobicContact CZ-CG1 4.44Å; F334-V390 HydrophobicContact CZ-CG2 4.36Å; F334-W417 AromaticContact CD2-CH2 3.76Å; F334-W417 HydrophobicContact CD2-CH2 3.76Å; F334-W417 AromaticContact CD2-CZ3 3.87Å; F334-W417 HydrophobicContact CD2-CZ3 3.87Å; F334-W417 AromaticContact CE2-CH2 3.93Å; F334-W417 HydrophobicContact CE2-CH2 3.93Å; F334-W417 HydrophobicContact CE2-CZ3 4.25Å; F334-W417 HydrophobicContact CG-CZ3 4.4Å; F334-W417 VanDerWaalsContact O-CZ3 3.31Å; F334-W417 WeakPolarHBondContact O-CZ3 3.42Å
335G96.5Very high94.7Very high5 Ų539.9 Ų39.95%0.05221%0.206CC..Hα-helixtrans70.8151.7-177.100000112.4P331 I337 T339P331-G335 CarbonylContact O-C 3.55Å; P331-G335 WeakPolarHBondContact O-CA 3.39Å; P331-G335 PolarHBondContact O-N 3.23Å; G335-I337 VanDerWaalsContact C-N 3.33Å; G335-I337 PolarHBondContact O-N 3.45Å; G335-T339 WeakPolarHBondContact O-CB 3.38Å; G335-T339 PolarHBondContact O-N 3.43Å; G335-T339 PolarHBondContact O-OG1 2.92Å
336P94.9Very high93.5Very high83 Ų8341.8 Ų41.854%0.53922%0.218SC..Hα-helixtrans-62-38.7-176.522.4-32.9000112.8F340P336-F340 WeakPolarHBondContact O-CB 3.29Å; P336-F340 PolarHBondContact O-N 2.9Å
337I93.2Very high92.3Very high71 Ų7145.5 Ų45.536%0.36424%0.237SC..Hα-helixtrans-66.9-49.9-177.6-65.7172.7000111.5G335 F340 R341 A413 L416G335-I337 VanDerWaalsContact C-N 3.33Å; G335-I337 PolarHBondContact O-N 3.45Å; I337-F340 PolarHBondContact O-N 3.35Å; I337-R341 WeakPolarHBondContact O-CB 3.35Å; I337-R341 PolarHBondContact O-N 3.2Å; I337-A413 HydrophobicContact CD1-CB 4.43Å; I337-A413 HydrophobicContact CG2-CB 4.14Å; I337-L416 HydrophobicContact CD1-CB 4.23Å; I337-L416 HydrophobicContact CD1-CD1 3.49Å; I337-L416 VanDerWaalsContact CD1-CD1 3.49Å
338F94.8Very high91Very high20 Ų2044 Ų449%0.08823%0.227CC..Hα-helixtrans-78.1-25.1-179.1-60.2-48.8000112.8L157 F334 R341 L342 V390 W417L157-F338 HydrophobicContact CD2-CD2 3.92Å; L157-F338 HydrophobicContact CD2-CE2 3.53Å; L157-F338 HydrophobicContact CD2-CZ 4.02Å; F334-F338 HydrophobicContact CD1-CB 3.58Å; F334-F338 HydrophobicContact CE1-CB 3.6Å; F334-F338 HydrophobicContact CG-CB 4.26Å; F334-F338 HydrophobicContact CZ-CB 4.26Å; F334-F338 WeakPolarHBondContact O-CB 3.33Å; F338-R341 CarbonylContact O-C 3.59Å; F338-R341 WeakPolarHBondContact O-CB 3.38Å; F338-R341 PolarHBondContact O-N 3.36Å; F338-L342 VanDerWaalsContact O-CB 3.29Å; F338-L342 WeakPolarHBondContact O-CB 3.44Å; F338-L342 PolarHBondContact O-N 2.92Å; F338-V390 HydrophobicContact CB-CG1 4.18Å; F338-V390 HydrophobicContact CD1-CG1 3.77Å; F338-V390 HydrophobicContact CE1-CG1 4.48Å; F338-V390 HydrophobicContact CG-CG1 4.18Å; F338-W417 HydrophobicContact CD2-CB 4.47Å; F338-W417 AromaticContact CD2-CD2 3.85Å; F338-W417 HydrophobicContact CD2-CD2 3.85Å; F338-W417 AromaticContact CD2-CE3 3.24Å; F338-W417 HydrophobicContact CD2-CE3 3.24Å; F338-W417 HydrophobicContact CD2-CG 4.39Å; F338-W417 AromaticContact CD2-CZ3 3.62Å; F338-W417 HydrophobicContact CD2-CZ3 3.62Å; F338-W417 HydrophobicContact CE2-CB 3.63Å; F338-W417 AromaticContact CE2-CD2 3.53Å; F338-W417 HydrophobicContact CE2-CD2 3.53Å; F338-W417 AromaticContact CE2-CE3 3.45Å; F338-W417 HydrophobicContact CE2-CE3 3.45Å; F338-W417 VanDerWaalsContact CE2-CE3 3.45Å; F338-W417 AromaticContact CE2-CG 3.64Å; F338-W417 HydrophobicContact CE2-CG 3.64Å; F338-W417 HydrophobicContact CE2-CZ3 4.18Å; F338-W417 HydrophobicContact CZ-CB 4.36Å
339T96.1Very high89.1Confident8 Ų850.4 Ų50.45%0.04925%0.245CC..Hα-helixtrans-61.9-50.2167.1-62.40000111.2W330 P331 G335 R341 L342 F343W330-T339 HydrophobicContact CB-CG2 3.65Å; W330-T339 PolarHBondContact O-OG1 3.45Å; P331-T339 WeakPolarHBondContact CA-OG1 3.38Å; P331-T339 HydrophobicContact CG-CG2 4.05Å; G335-T339 WeakPolarHBondContact O-CB 3.38Å; G335-T339 PolarHBondContact O-N 3.43Å; G335-T339 PolarHBondContact O-OG1 2.92Å; T339-R341 PolarHBondContact O-N 3.02Å; T339-L342 WeakPolarHBondContact O-CB 3.41Å; T339-L342 PolarHBondContact O-N 3.02Å; T339-L342 VanDerWaalsContact O-N 3.1Å; T339-F343 HydrophobicContact CG2-CD2 3.92Å; T339-F343 HydrophobicContact CG2-CE2 3.99Å; T339-F343 WeakPolarHBondContact O-CD2 3.44Å; T339-F343 PolarHBondContact O-N 3.29Å; T339-F343 VanDerWaalsContact O-N 3.16Å
340F93.9Very high87.8Confident149 Ų14952.5 Ų52.565%0.65425%0.252SS*.Hα-helixtrans-57.4-42.8174.7178.3-98.4000111P336 I337 L342 T344P336-F340 WeakPolarHBondContact O-CB 3.29Å; P336-F340 PolarHBondContact O-N 2.9Å; I337-F340 PolarHBondContact O-N 3.35Å; F340-L342 PolarHBondContact O-N 3.27Å; F340-T344 HydrophobicContact CD1-CG2 4.46Å; F340-T344 HydrophobicContact CD2-CG2 4.29Å; F340-T344 HydrophobicContact CE1-CG2 4.1Å; F340-T344 HydrophobicContact CE2-CG2 3.92Å; F340-T344 HydrophobicContact CZ-CG2 3.82Å; F340-T344 WeakPolarHBondContact O-CB 3.18Å; F340-T344 WeakPolarHBondContact O-CG2 3.43Å; F340-T344 PolarHBondContact O-N 3.27Å; F340-T344 PolarHBondContact O-OG1 3.15Å
341R91.4Very high87Confident47 Ų4754.5 Ų54.518%0.17727%0.266CS..Hα-helixtrans-61.8-40.4176.2-171.558.7175.8161.17.1112.4I337 F338 T339 T344 Q345 V390 S393I337-R341 WeakPolarHBondContact O-CB 3.35Å; I337-R341 PolarHBondContact O-N 3.2Å; F338-R341 CarbonylContact O-C 3.59Å; F338-R341 WeakPolarHBondContact O-CB 3.38Å; F338-R341 PolarHBondContact O-N 3.36Å; T339-R341 PolarHBondContact O-N 3.02Å; R341-T344 PolarHBondContact O-OG1 3.43Å; R341-Q345 WeakPolarHBondContact O-CG 3.23Å; R341-Q345 PolarHBondContact O-NE2 3Å; R341-V390 HydrophobicContact CB-CG1 4.47Å; R341-V390 HydrophobicContact CB-CG2 4.4Å; R341-V390 HydrophobicContact CG-CG1 4.05Å; R341-V390 HydrophobicContact CG-CG2 4.25Å; R341-S393 PolarHBondContact NE-OG 3.12Å
342L94.4Very high86.5Confident0 Ų059.4 Ų59.40%029%0.289CS..Hα-helixtrans-62.6-46.2-179.6175.761.8000111.9W330 F334 F338 T339 F340 Q345 W358 V361 A386 I389 V390W330-L342 HydrophobicContact CD2-CD2 4.38Å; W330-L342 HydrophobicContact CE3-CD2 4.02Å; W330-L342 HydrophobicContact CH2-CD2 4.33Å; W330-L342 HydrophobicContact CZ3-CD2 4Å; F334-L342 HydrophobicContact CD1-CD2 4.42Å; F338-L342 VanDerWaalsContact O-CB 3.29Å; F338-L342 WeakPolarHBondContact O-CB 3.44Å; F338-L342 PolarHBondContact O-N 2.92Å; T339-L342 WeakPolarHBondContact O-CB 3.41Å; T339-L342 PolarHBondContact O-N 3.02Å; T339-L342 VanDerWaalsContact O-N 3.1Å; F340-L342 PolarHBondContact O-N 3.27Å; L342-Q345 WeakPolarHBondContact O-CG 3.2Å; L342-W358 PolarHBondContact O-NE1 3.31Å; L342-V361 HydrophobicContact CD1-CG1 4.42Å; L342-V361 HydrophobicContact CD2-CG1 4.09Å; L342-V361 HydrophobicContact CG-CG1 4.46Å; L342-A386 HydrophobicContact CD1-CB 3.98Å; L342-A386 HydrophobicContact CD2-CB 3.84Å; L342-I389 HydrophobicContact CD1-CB 4.27Å; L342-I389 HydrophobicContact CD1-CD1 3.88Å; L342-I389 HydrophobicContact CD1-CG2 4.23Å; L342-V390 HydrophobicContact CB-CG2 3.83Å; L342-V390 HydrophobicContact CD1-CG2 4.19Å
343F93.4Very high86Confident46 Ų4658.9 Ų58.920%0.20229%0.289CS..Hα-helixtrans-84.6-10.1-175.4-70.4-71.8000114.4L326 W330 T339 L362L326-F343 HydrophobicContact CD1-CD1 4.38Å; L326-F343 HydrophobicContact CD1-CD2 3.94Å; L326-F343 HydrophobicContact CD1-CE1 4.3Å; L326-F343 HydrophobicContact CD1-CE2 3.85Å; L326-F343 HydrophobicContact CD1-CG 4.22Å; L326-F343 HydrophobicContact CD1-CZ 4.04Å; W330-F343 HydrophobicContact CB-CE2 4.2Å; W330-F343 AromaticContact CD1-CE2 3.76Å; W330-F343 AromaticContact CD1-CZ 3.62Å; W330-F343 HydrophobicContact CD2-CE2 4.25Å; W330-F343 HydrophobicContact CD2-CZ 4.31Å; W330-F343 AromaticContact CG-CE2 3.81Å; W330-F343 HydrophobicContact CG-CE2 3.81Å; W330-F343 HydrophobicContact CG-CZ 4.07Å; W330-F343 AromaticContact NE1-CZ 3.6Å; T339-F343 HydrophobicContact CG2-CD2 3.92Å; T339-F343 HydrophobicContact CG2-CE2 3.99Å; T339-F343 WeakPolarHBondContact O-CD2 3.44Å; T339-F343 PolarHBondContact O-N 3.29Å; T339-F343 VanDerWaalsContact O-N 3.16Å; F343-L362 HydrophobicContact CE1-CD1 4.47Å
344T89.1Confident85.6Confident30 Ų3059 Ų5918%0.18429%0.29CS..THydrogen-bonded Turntrans-96.94.2175.153.70000114.1F340 R341 L347F340-T344 HydrophobicContact CD1-CG2 4.46Å; F340-T344 HydrophobicContact CD2-CG2 4.29Å; F340-T344 HydrophobicContact CE1-CG2 4.1Å; F340-T344 HydrophobicContact CE2-CG2 3.92Å; F340-T344 HydrophobicContact CZ-CG2 3.82Å; F340-T344 WeakPolarHBondContact O-CB 3.18Å; F340-T344 WeakPolarHBondContact O-CG2 3.43Å; F340-T344 PolarHBondContact O-N 3.27Å; F340-T344 PolarHBondContact O-OG1 3.15Å; R341-T344 PolarHBondContact O-OG1 3.43Å; T344-L347 WeakPolarHBondContact O-CB 3.38Å
345Q79.8Confident85.4Confident6 Ų663.2 Ų63.23%0.02831%0.307CS..G310 helixtrans-64.7-42.1-175.7-66.5-69.1-43.100116.2R341 L342 L347 Q348 I389 S393R341-Q345 WeakPolarHBondContact O-CG 3.23Å; R341-Q345 PolarHBondContact O-NE2 3Å; L342-Q345 WeakPolarHBondContact O-CG 3.2Å; Q345-L347 PolarHBondContact O-N 3.24Å; Q345-Q348 WeakPolarHBondContact O-CB 3.48Å; Q345-Q348 PolarHBondContact O-N 2.93Å; Q345-I389 HydrophobicContact CB-CG2 4.14Å; Q345-I389 HydrophobicContact CG-CG2 3.49Å; Q345-I389 VanDerWaalsContact CG-CG2 3.49Å; Q345-S393 VanDerWaalsContact NE2-CB 3.34Å; Q345-S393 PolarHBondContact NE2-OG 3.25Å
346P71.7Confident85.2Confident39 Ų3964.4 Ų64.425%0.25331%0.312SS..G310 helixtrans-57.7-26.6-177.9-24.332.5000113.4Q348 Y355 W358P346-Q348 PolarHBondContact O-N 2.7Å; P346-Q348 VanDerWaalsContact O-N 3.17Å; P346-Y355 HydrophobicContact CB-CE1 4.26Å; P346-Y355 PolarHBondContact O-OH 3.4Å; P346-W358 HydrophobicContact CB-CH2 4.44Å; P346-W358 HydrophobicContact CG-CD2 3.53Å; P346-W358 HydrophobicContact CG-CE3 3.72Å; P346-W358 HydrophobicContact CG-CG 4.27Å; P346-W358 HydrophobicContact CG-CH2 3.42Å; P346-W358 VanDerWaalsContact CG-CH2 3.42Å; P346-W358 HydrophobicContact CG-CZ2 3.27Å; P346-W358 HydrophobicContact CG-CZ3 3.66Å
347L69.2Low85.2Confident149 Ų14960.7 Ų60.778%0.7829%0.288SS*.G310 helixtrans-66.7-10.5177-57.1175.8000113T344 Q345T344-L347 WeakPolarHBondContact O-CB 3.38Å; Q345-L347 PolarHBondContact O-N 3.24Å
348Q69.4Low85.3Confident82 Ų8259.6 Ų59.638%0.38328%0.279SS..G310 helixtrans-106.618-170.4-53.9-150.5-30.900115.8Q345 P346 R350Q345-Q348 WeakPolarHBondContact O-CB 3.48Å; Q345-Q348 PolarHBondContact O-N 2.93Å; P346-Q348 PolarHBondContact O-N 2.7Å; P346-Q348 VanDerWaalsContact O-N 3.17Å; Q348-R350 HydrophobicContact CB-CG 4.5Å; Q348-R350 WeakPolarHBondContact O-CG 3.4Å
349R57Low85.3Confident234 Ų23462.5 Ų62.588%0.88330%0.295SS*.  trans40.776.4175-67.9-169.9178.7-176.80.4114.4
350R71.3Confident85.4Confident55 Ų5562.1 Ų62.121%0.20829%0.293CS..  trans-117.7-177-172.9-70.1-139.6175.9-166.18.1114.9Q348 Y355 H392 S393Q348-R350 HydrophobicContact CB-CG 4.5Å; Q348-R350 WeakPolarHBondContact O-CG 3.4Å; R350-Y355 WeakPolarHBondContact O-CE2 3.35Å; R350-H392 PolarHBondContact NH1-O 3.17Å; R350-S393 VanDerWaalsContact NH1-CA 3.31Å; R350-S393 PolarHBondContact NH2-O 2.97Å
351S81.7Confident85.5Confident42 Ų4255 Ų5529%0.29426%0.262SS..  trans-59.1153-178.762.80000112.9S353 S354 Y355S351-S353 VanDerWaalsContact C-N 3.27Å; S351-S353 PolarHBondContact O-N 3.32Å; S351-S354 WeakPolarHBondContact O-CB 3.26Å; S351-S354 PolarHBondContact O-N 2.8Å; S351-S354 PolarHBondContact OG-N 3.49Å; S351-Y355 WeakPolarHBondContact O-CD2 3.42Å; S351-Y355 PolarHBondContact O-N 2.97Å
352I86.4Confident85.8Confident136 Ų13655 Ų5570%0.69727%0.265SS*.Hα-helixtrans-54.4-44.6176.8-65.7165.2000110.6S354 Y355 I356I352-S354 VanDerWaalsContact C-N 3.27Å; I352-S354 PolarHBondContact O-N 3.19Å; I352-Y355 WeakPolarHBondContact O-CB 3.49Å; I352-Y355 PolarHBondContact O-N 3.4Å; I352-I356 HydrophobicContact CG2-CD1 3.83Å; I352-I356 HydrophobicContact CG2-CG1 4.28Å; I352-I356 WeakPolarHBondContact O-CG1 3.3Å; I352-I356 PolarHBondContact O-N 3.16Å
353S88.5Confident85.9Confident33 Ų3358.4 Ų58.423%0.23128%0.28CS..Hα-helixtrans-59.9-34.7178.4-42.70000113.2V127 S351 I356 A357V127-S353 VanDerWaalsContact CG2-CB 3.43Å; S351-S353 VanDerWaalsContact C-N 3.27Å; S351-S353 PolarHBondContact O-N 3.32Å; S353-I356 PolarHBondContact O-N 3.16Å; S353-A357 WeakPolarHBondContact O-CB 3.16Å; S353-A357 PolarHBondContact O-N 3.36Å
354S88.9Confident86.2Confident5 Ų556.2 Ų56.24%0.03527%0.27CS..Hα-helixtrans-68.4-36174.8-172.30000112S351 I352 W358S351-S354 WeakPolarHBondContact O-CB 3.26Å; S351-S354 PolarHBondContact O-N 2.8Å; S351-S354 PolarHBondContact OG-N 3.49Å; I352-S354 VanDerWaalsContact C-N 3.27Å; I352-S354 PolarHBondContact O-N 3.19Å; S354-W358 WeakPolarHBondContact O-CB 3.49Å; S354-W358 PolarHBondContact O-N 3.47Å
355Y91.2Very high86.6Confident87 Ų8755 Ų5534%0.34126%0.263SS..Hα-helixtrans-67.7-42.6174.4-78.9-72.9000111.6P346 R350 S351 I352 W358 I359P346-Y355 HydrophobicContact CB-CE1 4.26Å; P346-Y355 PolarHBondContact O-OH 3.4Å; R350-Y355 WeakPolarHBondContact O-CE2 3.35Å; S351-Y355 WeakPolarHBondContact O-CD2 3.42Å; S351-Y355 PolarHBondContact O-N 2.97Å; I352-Y355 WeakPolarHBondContact O-CB 3.49Å; I352-Y355 PolarHBondContact O-N 3.4Å; Y355-W358 PolarHBondContact O-N 3.48Å; Y355-I359 WeakPolarHBondContact O-CG1 3.07Å; Y355-I359 PolarHBondContact O-N 3.08Å
356I92.9Very high87.4Confident30 Ų3059.7 Ų59.715%0.15429%0.287CS..Hα-helixtrans-58.2-52.3176.4-64.5171.6000110.4L237 I240 I352 S353 W358 I359 S360L237-I356 HydrophobicContact CD2-CG2 3.46Å; L237-I356 VanDerWaalsContact CD2-CG2 3.46Å; I240-I356 HydrophobicContact CD1-CB 4.03Å; I240-I356 HydrophobicContact CD1-CD1 3.74Å; I240-I356 HydrophobicContact CD1-CG1 3.5Å; I240-I356 HydrophobicContact CD1-CG2 3.44Å; I240-I356 VanDerWaalsContact CD1-CG2 3.44Å; I240-I356 HydrophobicContact CG2-CD1 4.39Å; I352-I356 HydrophobicContact CG2-CD1 3.83Å; I352-I356 HydrophobicContact CG2-CG1 4.28Å; I352-I356 WeakPolarHBondContact O-CG1 3.3Å; I352-I356 PolarHBondContact O-N 3.16Å; S353-I356 PolarHBondContact O-N 3.16Å; I356-W358 VanDerWaalsContact C-N 3.26Å; I356-W358 PolarHBondContact O-N 2.98Å; I356-I359 PolarHBondContact O-N 3.34Å; I356-S360 PolarHBondContact O-N 3.27Å; I356-S360 PolarHBondContact O-OG 3.49Å
357A94.8Very high88.6Confident5 Ų560 Ų604%0.04129%0.288CS..Hα-helixtrans-60-38.1177.900000111.9S353 S360 V361 Y385 F388 I389S353-A357 WeakPolarHBondContact O-CB 3.16Å; S353-A357 PolarHBondContact O-N 3.36Å; A357-S360 CarbonylContact O-C 3.55Å; A357-S360 WeakPolarHBondContact O-CA 3.3Å; A357-S360 WeakPolarHBondContact O-CB 3.45Å; A357-S360 PolarHBondContact O-N 3.28Å; A357-V361 PolarHBondContact O-N 3.49Å; A357-V361 VanDerWaalsContact O-N 3.1Å; A357-Y385 HydrophobicContact CB-CD1 4.23Å; A357-F388 HydrophobicContact CB-CD1 3.58Å; A357-F388 HydrophobicContact CB-CE1 3.81Å; A357-I389 HydrophobicContact CB-CD1 3.99Å; A357-I389 HydrophobicContact CB-CG1 3.66Å
358W95.2Very high89.8Confident48 Ų4853 Ų5318%0.18225%0.252CS..Hα-helixtrans-65.7-39.1177.9-173.577.5000112.5L342 P346 S354 Y355 I356 S360 V361 L362 I389L342-W358 PolarHBondContact O-NE1 3.31Å; P346-W358 HydrophobicContact CB-CH2 4.44Å; P346-W358 HydrophobicContact CG-CD2 3.53Å; P346-W358 HydrophobicContact CG-CE3 3.72Å; P346-W358 HydrophobicContact CG-CG 4.27Å; P346-W358 HydrophobicContact CG-CH2 3.42Å; P346-W358 VanDerWaalsContact CG-CH2 3.42Å; P346-W358 HydrophobicContact CG-CZ2 3.27Å; P346-W358 HydrophobicContact CG-CZ3 3.66Å; S354-W358 WeakPolarHBondContact O-CB 3.49Å; S354-W358 PolarHBondContact O-N 3.47Å; Y355-W358 PolarHBondContact O-N 3.48Å; I356-W358 VanDerWaalsContact C-N 3.26Å; I356-W358 PolarHBondContact O-N 2.98Å; W358-S360 VanDerWaalsContact C-N 3.32Å; W358-V361 PolarHBondContact O-N 3.45Å; W358-V361 VanDerWaalsContact O-N 3.12Å; W358-L362 HydrophobicContact CE3-CD2 4.39Å; W358-L362 HydrophobicContact CH2-CD2 3.5Å; W358-L362 VanDerWaalsContact CH2-CD2 3.5Å; W358-L362 HydrophobicContact CZ2-CD2 4.04Å; W358-L362 HydrophobicContact CZ3-CD2 3.69Å; W358-L362 WeakPolarHBondContact O-CB 3.32Å; W358-L362 PolarHBondContact O-N 3.18Å; W358-I389 VanDerWaalsContact CA-CD1 3.48Å; W358-I389 HydrophobicContact CB-CD1 4.03Å
359I95.4Very high91.1Very high82 Ų8249.7 Ų49.742%0.42124%0.238SC..Hα-helixtrans-63-40.4171.3-65.1167.3000110.3P236 Y355 I356 V361 L362 F363P236-I359 HydrophobicContact CB-CG2 3.96Å; P236-I359 HydrophobicContact CG-CG2 4.05Å; Y355-I359 WeakPolarHBondContact O-CG1 3.07Å; Y355-I359 PolarHBondContact O-N 3.08Å; I356-I359 PolarHBondContact O-N 3.34Å; I359-V361 PolarHBondContact O-N 2.91Å; I359-L362 PolarHBondContact O-N 2.95Å; I359-F363 HydrophobicContact CG2-CB 4.46Å; I359-F363 VanDerWaalsContact O-CB 3.32Å; I359-F363 WeakPolarHBondContact O-CB 3.18Å; I359-F363 PolarHBondContact O-N 3.31Å
360S97.3Very high92.7Very high0 Ų044.1 Ų44.10%022%0.224CC..Hα-helixtrans-62.3-16.8173.2-630000114.7I356 A357 W358 P364I356-S360 PolarHBondContact O-N 3.27Å; I356-S360 PolarHBondContact O-OG 3.49Å; A357-S360 CarbonylContact O-C 3.55Å; A357-S360 WeakPolarHBondContact O-CA 3.3Å; A357-S360 WeakPolarHBondContact O-CB 3.45Å; A357-S360 PolarHBondContact O-N 3.28Å; W358-S360 VanDerWaalsContact C-N 3.32Å; S360-P364 VanDerWaalsContact O-CD 3.3Å; S360-P364 WeakPolarHBondContact O-CD 3.34Å; S360-P364 WeakPolarHBondContact O-CG 3.41Å
361V97.8Very high93.5Very high0 Ų044.5 Ų44.50%023%0.23CC..Hα-helixtrans-93.6-47.7170.31740000111.1W330 L342 A357 W358 I359 T365 A386 I389W330-V361 HydrophobicContact CH2-CG1 4Å; W330-V361 HydrophobicContact CZ2-CG1 3.65Å; L342-V361 HydrophobicContact CD1-CG1 4.42Å; L342-V361 HydrophobicContact CD2-CG1 4.09Å; L342-V361 HydrophobicContact CG-CG1 4.46Å; A357-V361 PolarHBondContact O-N 3.49Å; A357-V361 VanDerWaalsContact O-N 3.1Å; W358-V361 PolarHBondContact O-N 3.45Å; W358-V361 VanDerWaalsContact O-N 3.12Å; I359-V361 PolarHBondContact O-N 2.91Å; V361-T365 VanDerWaalsContact O-CB 3.3Å; V361-T365 WeakPolarHBondContact O-CB 3.34Å; V361-T365 PolarHBondContact O-N 3.04Å; V361-T365 PolarHBondContact O-OG1 2.96Å; V361-A386 HydrophobicContact CG2-CB 4.19Å; V361-I389 HydrophobicContact CG2-CD1 3.84Å
362L96.4Very high93.7Very high47 Ų4745 Ų4525%0.24623%0.232CC..Hα-helixtrans-67.1-47.9-172.8-178.769.1000111.7F343 W358 I359 T365 L366F343-L362 HydrophobicContact CE1-CD1 4.47Å; W358-L362 HydrophobicContact CE3-CD2 4.39Å; W358-L362 HydrophobicContact CH2-CD2 3.5Å; W358-L362 VanDerWaalsContact CH2-CD2 3.5Å; W358-L362 HydrophobicContact CZ2-CD2 4.04Å; W358-L362 HydrophobicContact CZ3-CD2 3.69Å; W358-L362 WeakPolarHBondContact O-CB 3.32Å; W358-L362 PolarHBondContact O-N 3.18Å; I359-L362 PolarHBondContact O-N 2.95Å; L362-T365 PolarHBondContact O-N 3.03Å; L362-L366 HydrophobicContact CD1-CD1 3.98Å; L362-L366 HydrophobicContact CD1-CG 4.06Å; L362-L366 HydrophobicContact CD2-CD1 4.31Å; L362-L366 HydrophobicContact CG-CD1 3.8Å; L362-L366 HydrophobicContact CG-CG 4.25Å; L362-L366 WeakPolarHBondContact O-CG 3.11Å; L362-L366 PolarHBondContact O-N 2.8Å
363F97.4Very high93.8Very high70 Ų7040 Ų4031%0.30721%0.206SC..Hα-helixtrans-60.9-53-174.6169.3-99.6000112.2L232 L235 P236 I359 T365 L366 V367L232-F363 HydrophobicContact CB-CE1 4.48Å; L232-F363 HydrophobicContact CD2-CE1 4.16Å; L232-F363 HydrophobicContact CD2-CZ 4.42Å; L235-F363 HydrophobicContact CB-CE1 4.37Å; L235-F363 HydrophobicContact CD2-CE1 3.69Å; L235-F363 HydrophobicContact CD2-CZ 3.71Å; P236-F363 HydrophobicContact CG-CD1 4.27Å; I359-F363 HydrophobicContact CG2-CB 4.46Å; I359-F363 VanDerWaalsContact O-CB 3.32Å; I359-F363 WeakPolarHBondContact O-CB 3.18Å; I359-F363 PolarHBondContact O-N 3.31Å; F363-T365 VanDerWaalsContact C-N 3.32Å; F363-T365 PolarHBondContact O-N 3.2Å; F363-L366 PolarHBondContact O-N 3Å; F363-V367 HydrophobicContact CD2-CG2 4.18Å; F363-V367 HydrophobicContact CE1-CG2 4.41Å; F363-V367 HydrophobicContact CE2-CG2 3.75Å; F363-V367 HydrophobicContact CZ-CG2 3.88Å; F363-V367 WeakPolarHBondContact O-CG2 3.48Å; F363-V367 PolarHBondContact O-N 2.85Å
364P98Very high94Very high0 Ų038.8 Ų38.80%020%0.196CC..Hα-helixtrans-63.5-38176.9-20.532.8000112.4L232 F233 S360 L366 V367 L368L232-P364 HydrophobicContact CB-CB 4.28Å; L232-P364 WeakPolarHBondContact O-CG 3.2Å; F233-P364 HydrophobicContact CD1-CB 3.52Å; F233-P364 HydrophobicContact CD1-CG 3.73Å; F233-P364 HydrophobicContact CE1-CB 3.64Å; F233-P364 HydrophobicContact CE1-CG 4.36Å; S360-P364 VanDerWaalsContact O-CD 3.3Å; S360-P364 WeakPolarHBondContact O-CD 3.34Å; S360-P364 WeakPolarHBondContact O-CG 3.41Å; P364-L366 VanDerWaalsContact C-N 3.34Å; P364-L366 PolarHBondContact O-N 3.26Å; P364-V367 PolarHBondContact O-N 3.37Å; P364-L368 VanDerWaalsContact O-CB 3.31Å; P364-L368 WeakPolarHBondContact O-CB 3.07Å; P364-L368 VanDerWaalsContact O-CG 3.23Å; P364-L368 WeakPolarHBondContact O-CG 3.29Å; P364-L368 PolarHBondContact O-N 3.38Å
365T98Very high94.2Very high6 Ų640.5 Ų40.54%0.03720%0.204CC..Hα-helixtrans-58.5-46.5177.2-60.70000111H325 W330 V361 L362 F363 S369 L379H325-T365 HydrophobicContact CB-CG2 4.29Å; W330-T365 PolarHBondContact NE1-OG1 3.47Å; V361-T365 VanDerWaalsContact O-CB 3.3Å; V361-T365 WeakPolarHBondContact O-CB 3.34Å; V361-T365 PolarHBondContact O-N 3.04Å; V361-T365 PolarHBondContact O-OG1 2.96Å; L362-T365 PolarHBondContact O-N 3.03Å; F363-T365 VanDerWaalsContact C-N 3.32Å; F363-T365 PolarHBondContact O-N 3.2Å; T365-S369 VanDerWaalsContact O-CB 3.31Å; T365-S369 WeakPolarHBondContact O-CB 3.47Å; T365-S369 PolarHBondContact O-N 3.07Å; T365-S369 PolarHBondContact O-OG 3.09Å; T365-L379 HydrophobicContact CG2-CD2 4.39Å
366L97.1Very high94.5Very high103 Ų10336.9 Ų36.954%0.53919%0.192SC..Hα-helixtrans-65.3-46.7179.5-71.4174.5000111.7L362 F363 P364 S369 I370L362-L366 HydrophobicContact CD1-CD1 3.98Å; L362-L366 HydrophobicContact CD1-CG 4.06Å; L362-L366 HydrophobicContact CD2-CD1 4.31Å; L362-L366 HydrophobicContact CG-CD1 3.8Å; L362-L366 HydrophobicContact CG-CG 4.25Å; L362-L366 WeakPolarHBondContact O-CG 3.11Å; L362-L366 PolarHBondContact O-N 2.8Å; F363-L366 PolarHBondContact O-N 3Å; P364-L366 VanDerWaalsContact C-N 3.34Å; P364-L366 PolarHBondContact O-N 3.26Å; L366-S369 PolarHBondContact O-N 3.39Å; L366-I370 WeakPolarHBondContact O-CG1 3.5Å; L366-I370 PolarHBondContact O-N 3.25Å
367V96.2Very high94.6Very high46 Ų4636 Ų3628%0.27919%0.186SC..Hα-helixtrans-62.9-45.7-179.4175.50000111.2L232 F363 P364 S369 I370L232-V367 HydrophobicContact CD1-CB 4.34Å; L232-V367 HydrophobicContact CD1-CG1 3.79Å; L232-V367 HydrophobicContact CD2-CG1 3.95Å; F363-V367 HydrophobicContact CD2-CG2 4.18Å; F363-V367 HydrophobicContact CE1-CG2 4.41Å; F363-V367 HydrophobicContact CE2-CG2 3.75Å; F363-V367 HydrophobicContact CZ-CG2 3.88Å; F363-V367 WeakPolarHBondContact O-CG2 3.48Å; F363-V367 PolarHBondContact O-N 2.85Å; P364-V367 PolarHBondContact O-N 3.37Å; V367-S369 VanDerWaalsContact C-N 3.28Å; V367-S369 PolarHBondContact O-N 2.85Å; V367-I370 WeakPolarHBondContact O-CB 3.32Å; V367-I370 PolarHBondContact O-N 3.02Å
368L95.3Very high94.7Very high3 Ų336.8 Ų36.82%0.01619%0.189CC..Hα-helixtrans-67-28.7178-66.5171.3000112.4T229 L232 F233 P364 I370 I371 F378 L379T229-L368 HydrophobicContact CG2-CD2 4.09Å; L232-L368 HydrophobicContact CD1-CD2 4.06Å; L232-L368 HydrophobicContact CD1-CG 4.31Å; F233-L368 HydrophobicContact CE1-CD1 4.09Å; F233-L368 HydrophobicContact CZ-CD1 4.02Å; P364-L368 VanDerWaalsContact O-CB 3.31Å; P364-L368 WeakPolarHBondContact O-CB 3.07Å; P364-L368 VanDerWaalsContact O-CG 3.23Å; P364-L368 WeakPolarHBondContact O-CG 3.29Å; P364-L368 PolarHBondContact O-N 3.38Å; L368-I370 PolarHBondContact O-N 3.32Å; L368-I371 HydrophobicContact CD2-CD1 4.05Å; L368-I371 WeakPolarHBondContact O-CB 3.27Å; L368-I371 PolarHBondContact O-N 3.05Å; L368-I371 VanDerWaalsContact O-N 3.16Å; L368-F378 HydrophobicContact CD1-CB 4.21Å; L368-L379 HydrophobicContact CD1-CD2 4.37Å
369S95.6Very high94.8Very high12 Ų1234.5 Ų34.58%0.08418%0.181CC..THydrogen-bonded Turntrans-72.5-12175.8-57.40000114.4R322 H325 T365 L366 V367 I371 Q374R322-S369 WeakPolarHBondContact O-CB 3.45Å; H325-S369 WeakPolarHBondContact CB-OG 3.37Å; H325-S369 PolarHBondContact CD2-OG 3.07Å; T365-S369 VanDerWaalsContact O-CB 3.31Å; T365-S369 WeakPolarHBondContact O-CB 3.47Å; T365-S369 PolarHBondContact O-N 3.07Å; T365-S369 PolarHBondContact O-OG 3.09Å; L366-S369 PolarHBondContact O-N 3.39Å; V367-S369 VanDerWaalsContact C-N 3.28Å; V367-S369 PolarHBondContact O-N 2.85Å; S369-I371 VanDerWaalsContact C-N 3.32Å; S369-Q374 PolarHBondContact O-NE2 3.12Å
370I91.8Very high94.9Very high116 Ų11630.9 Ų30.960%0.59516%0.162SC*.THydrogen-bonded Turntrans-74.7-30.9171.1-60.5171.3000109.8L366 V367 L368L366-I370 WeakPolarHBondContact O-CG1 3.5Å; L366-I370 PolarHBondContact O-N 3.25Å; V367-I370 WeakPolarHBondContact O-CB 3.32Å; V367-I370 PolarHBondContact O-N 3.02Å; L368-I370 PolarHBondContact O-N 3.32Å
371I88.2Confident95Very high63 Ų6330.9 Ų30.932%0.32316%0.162SC..SBendtrans-68.5131.1-178.8-54.6177.8000108.8L368 S369 H373 Q374L368-I371 HydrophobicContact CD2-CD1 4.05Å; L368-I371 WeakPolarHBondContact O-CB 3.27Å; L368-I371 PolarHBondContact O-N 3.05Å; L368-I371 VanDerWaalsContact O-N 3.16Å; S369-I371 VanDerWaalsContact C-N 3.32Å; I371-H373 VanDerWaalsContact C-N 3.32Å; I371-H373 PolarHBondContact O-N 3.27Å; I371-Q374 VanDerWaalsContact O-CG 3.32Å; I371-Q374 WeakPolarHBondContact O-CG 3.41Å; I371-Q374 PolarHBondContact O-NE2 3.45Å
372P85.6Confident95Very high52 Ų5230.9 Ų30.934%0.33816%0.162SC..SBendtrans-61.7-36.9-178.2-23.130.2000114V314 L319 H320V314-P372 HydrophobicContact CG1-CB 3.94Å; V314-P372 HydrophobicContact CG1-CG 4.04Å; L319-P372 HydrophobicContact CD2-CB 3.66Å; H320-P372 WeakPolarHBondContact CB-O 3.3Å; H320-P372 PolarHBondContact N-O 3.26Å; H320-P372 PolarHBondContact ND1-O 3.01Å
373H88.5Confident95.1Very high33 Ų3328.7 Ų28.715%0.15315%0.15CC..SBendtrans-86.9120.8175.1-174.553.1000110.6V314 H317 H320 I371 E375 F378V314-H373 HydrophobicContact CG1-CB 3.92Å; H317-H373 HydrophobicContact CB-CB 4.31Å; H317-H373 PolarHBondContact O-ND1 3.37Å; H320-H373 AromaticContact CE1-ND1 3.41Å; H320-H373 PolarHBondContact CE1-ND1 2.66Å; H320-H373 AromaticContact ND1-ND1 3.81Å; I371-H373 VanDerWaalsContact C-N 3.32Å; I371-H373 PolarHBondContact O-N 3.27Å; H373-E375 IonicContact CD2-OE1 3.7Å; H373-E375 IonicContact CE1-OE1 2.7Å; H373-E375 WeakPolarHBondContact NE2-CG 3.44Å; H373-E375 IonicContact NE2-OE1 3.7Å; H373-E375 PolarHBondContact NE2-OE1 3.43Å; H373-F378 AromaticContact CD2-CZ 3.9Å
374Q92.7Very high95.1Very high6 Ų625.4 Ų25.43%0.02814%0.136CC..  trans-133.7120.6-174-67.3178.141.400111.1H320 S321 T324 H325 S369 I371H320-Q374 HydrophobicContact CB-CB 4.07Å; H320-Q374 HydrophobicContact CB-CG 4.32Å; H320-Q374 PolarHBondContact ND1-N 3.34Å; H320-Q374 VanDerWaalsContact ND1-N 3.17Å; S321-Q374 PolarHBondContact O-NE2 3.28Å; S321-Q374 PolarHBondContact O-OE1 2.79Å; T324-Q374 HydrophobicContact CG2-CB 4.24Å; H325-Q374 PolarHBondContact CD2-OE1 3.26Å; H325-Q374 VanDerWaalsContact N-OE1 3.12Å; H325-Q374 WeakPolarHBondContact NE2-CG 3.48Å; S369-Q374 PolarHBondContact O-NE2 3.12Å; I371-Q374 VanDerWaalsContact O-CG 3.32Å; I371-Q374 WeakPolarHBondContact O-CG 3.41Å; I371-Q374 PolarHBondContact O-NE2 3.45Å
375E93.4Very high95.1Very high41 Ų4125.6 Ų25.619%0.19214%0.137CC..  trans-124.9149.4177.4-62.8-174.3-124.600111.7H31 H325 H373 R377 F378H31-E375 IonicContact NE2-OE2 2.66Å; H325-E375 PolarHBondContact CE1-O 3.43Å; H325-E375 VanDerWaalsContact CE1-O 3.25Å; H373-E375 IonicContact CD2-OE1 3.7Å; H373-E375 IonicContact CE1-OE1 2.7Å; H373-E375 WeakPolarHBondContact NE2-CG 3.44Å; H373-E375 IonicContact NE2-OE1 3.7Å; H373-E375 PolarHBondContact NE2-OE1 3.43Å; E375-R377 HydrophobicContact CB-CG 4.02Å; E375-R377 VanDerWaalsContact CD-NE 3.34Å; E375-R377 PolarHBondContact O-N 3.44Å; E375-R377 IonicContact OE1-CZ 3.04Å; E375-R377 IonicContact OE1-NE 3.75Å; E375-R377 IonicContact OE1-NH2 3.24Å; E375-R377 PolarHBondContact OE1-NH2 3.06Å; E375-R377 IonicContact OE2-CZ 3.23Å; E375-R377 IonicContact OE2-NE 3.6Å; E375-R377 PolarHBondContact OE2-NE 3.28Å; E375-R377 IonicContact OE2-NH2 3.82Å; E375-R377 PolarHBondContact OE2-NH2 3.41Å; E375-F378 HydrophobicContact CB-CD1 4.35Å; E375-F378 HydrophobicContact CB-CD2 4.18Å; E375-F378 HydrophobicContact CB-CE1 4.1Å; E375-F378 HydrophobicContact CB-CE2 3.95Å; E375-F378 HydrophobicContact CB-CG 4.37Å; E375-F378 HydrophobicContact CB-CZ 3.89Å; E375-F378 HydrophobicContact CG-CE1 4.44Å; E375-F378 HydrophobicContact CG-CE2 4.12Å; E375-F378 HydrophobicContact CG-CZ 3.89Å; E375-F378 PolarHBondContact O-N 3.44Å; E375-F378 VanDerWaalsContact O-N 3.17Å
376A96.3Very high95.1Very high12 Ų1225.3 Ų25.310%0.09914%0.135CC..G310 helixtrans-56-38.4179.400000113F163 N329 L332 I333 F378 L379F163-A376 HydrophobicContact CE1-CB 3.85Å; F163-A376 HydrophobicContact CZ-CB 4.17Å; N329-A376 HydrophobicContact CB-CB 4.03Å; N329-A376 PolarHBondContact OD1-N 3Å; L332-A376 HydrophobicContact CD2-CB 4Å; I333-A376 HydrophobicContact CD1-CB 4.06Å; I333-A376 WeakPolarHBondContact CD1-O 3.41Å; I333-A376 HydrophobicContact CG1-CB 4.14Å; A376-F378 PolarHBondContact O-N 2.97Å; A376-F378 VanDerWaalsContact O-N 3.15Å; A376-L379 PolarHBondContact O-N 2.92Å
377R95.4Very high95.1Very high10 Ų1020.4 Ų20.44%0.03811%0.109CC..G310 helixtrans-61.3-25.4-178.365.2-175172.6137-2114.9H31 D33 W168 N175 E375 L379 I380H31-R377 PolarHBondContact CE1-NH1 3.46Å; H31-R377 PolarHBondContact CE1-NH2 3.12Å; H31-R377 PolarHBondContact NE2-NE 3.18Å; D33-R377 IonicContact OD1-NH1 3.37Å; D33-R377 IonicContact OD1-NH2 2.69Å; D33-R377 IonicContact OD2-CZ 2.75Å; D33-R377 IonicContact OD2-NH1 3.55Å; D33-R377 PolarHBondContact OD2-NH1 3.43Å; D33-R377 IonicContact OD2-NH2 3.74Å; D33-R377 PolarHBondContact OD2-NH2 3.46Å; W168-R377 HydrophobicContact CE3-CB 4.47Å; W168-R377 HydrophobicContact CH2-CB 3.82Å; W168-R377 HydrophobicContact CZ3-CB 3.47Å; W168-R377 VanDerWaalsContact CZ3-CB 3.47Å; N175-R377 WeakPolarHBondContact CB-O 3.49Å; E375-R377 HydrophobicContact CB-CG 4.02Å; E375-R377 VanDerWaalsContact CD-NE 3.34Å; E375-R377 PolarHBondContact O-N 3.44Å; E375-R377 IonicContact OE1-CZ 3.04Å; E375-R377 IonicContact OE1-NE 3.75Å; E375-R377 IonicContact OE1-NH2 3.24Å; E375-R377 PolarHBondContact OE1-NH2 3.06Å; E375-R377 IonicContact OE2-CZ 3.23Å; E375-R377 IonicContact OE2-NE 3.6Å; E375-R377 PolarHBondContact OE2-NE 3.28Å; E375-R377 IonicContact OE2-NH2 3.82Å; E375-R377 PolarHBondContact OE2-NH2 3.41Å; R377-L379 PolarHBondContact O-N 2.98Å; R377-L379 VanDerWaalsContact O-N 3.15Å; R377-I380 HydrophobicContact CB-CD1 3.84Å; R377-I380 WeakPolarHBondContact O-CB 3.5Å; R377-I380 WeakPolarHBondContact O-CG1 3.41Å; R377-I380 PolarHBondContact O-N 3.48Å; R377-I380 VanDerWaalsContact O-N 3.14Å
378F96.7Very high95.1Very high23 Ų2318.5 Ų18.510%0.10110%0.097CC..G310 helixtrans-65.1-18.3178.1-56.6-19.4000112.4F233 L368 H373 E375 A376F233-F378 WeakPolarHBondContact CZ-O 3.31Å; L368-F378 HydrophobicContact CD1-CB 4.21Å; H373-F378 AromaticContact CD2-CZ 3.9Å; E375-F378 HydrophobicContact CB-CD1 4.35Å; E375-F378 HydrophobicContact CB-CD2 4.18Å; E375-F378 HydrophobicContact CB-CE1 4.1Å; E375-F378 HydrophobicContact CB-CE2 3.95Å; E375-F378 HydrophobicContact CB-CG 4.37Å; E375-F378 HydrophobicContact CB-CZ 3.89Å; E375-F378 HydrophobicContact CG-CE1 4.44Å; E375-F378 HydrophobicContact CG-CE2 4.12Å; E375-F378 HydrophobicContact CG-CZ 3.89Å; E375-F378 PolarHBondContact O-N 3.44Å; E375-F378 VanDerWaalsContact O-N 3.17Å; A376-F378 PolarHBondContact O-N 2.97Å; A376-F378 VanDerWaalsContact O-N 3.15Å
379L98.2Very high95.1Very high0 Ų018.3 Ų18.30%010%0.097CC..G310 helixtrans-94.3-5.3178.9-59.3175.1000113.6H325 N329 W330 I333 T365 L368 A376 R377 P381 C382H325-L379 HydrophobicContact CB-CD1 4.13Å; H325-L379 VanDerWaalsContact ND1-CD1 3.28Å; H325-L379 WeakPolarHBondContact ND1-CD1 3.28Å; H325-L379 WeakPolarHBondContact ND1-CG 3.23Å; N329-L379 HydrophobicContact CB-CD1 3.82Å; W330-L379 HydrophobicContact CD2-CD1 4.04Å; W330-L379 HydrophobicContact CG-CD1 4.05Å; W330-L379 HydrophobicContact CH2-CB 4.49Å; W330-L379 HydrophobicContact CZ2-CB 4.19Å; W330-L379 HydrophobicContact CZ2-CD1 4.28Å; W330-L379 HydrophobicContact CZ2-CD2 4.32Å; I333-L379 HydrophobicContact CD1-CB 3.88Å; I333-L379 HydrophobicContact CD1-CD1 4.2Å; T365-L379 HydrophobicContact CG2-CD2 4.39Å; L368-L379 HydrophobicContact CD1-CD2 4.37Å; A376-L379 PolarHBondContact O-N 2.92Å; R377-L379 PolarHBondContact O-N 2.98Å; R377-L379 VanDerWaalsContact O-N 3.15Å; L379-P381 VanDerWaalsContact C-CD 3.49Å; L379-P381 VanDerWaalsContact C-N 3.33Å; L379-C382 VanDerWaalsContact O-CB 3.29Å; L379-C382 WeakPolarHBondContact O-CB 3.4Å; L379-C382 PolarHBondContact O-N 3.24Å
380I97.9Very high95Very high6 Ų617.8 Ų17.83%0.0319%0.093CC..G310 helixtrans-57-40.6-178.9-61.7169.9000111.8F163 W168 S179 R377 C382 L383F163-I380 HydrophobicContact CD1-CD1 4.18Å; F163-I380 HydrophobicContact CD1-CG1 4.29Å; W168-I380 HydrophobicContact CD2-CD1 4.02Å; W168-I380 HydrophobicContact CE3-CD1 3.27Å; W168-I380 HydrophobicContact CZ3-CD1 3.67Å; S179-I380 WeakPolarHBondContact OG-CG2 3.18Å; S179-I380 PolarHBondContact OG-O 3.3Å; R377-I380 HydrophobicContact CB-CD1 3.84Å; R377-I380 WeakPolarHBondContact O-CB 3.5Å; R377-I380 WeakPolarHBondContact O-CG1 3.41Å; R377-I380 PolarHBondContact O-N 3.48Å; R377-I380 VanDerWaalsContact O-N 3.14Å; I380-C382 PolarHBondContact O-N 3.39Å; I380-C382 VanDerWaalsContact O-N 3.13Å; I380-L383 WeakPolarHBondContact O-CB 3.48Å; I380-L383 PolarHBondContact O-N 3.31Å
381P98.5Very high95.1Very high0 Ų012.2 Ų12.20%06%0.064CC..G310 helixtrans-63.9-17.7176.6-23.135.3000114.8E178 S179 V182 F233 L379 P384E178-P381 HydrophobicContact CB-CB 4.41Å; E178-P381 HydrophobicContact CB-CG 3.74Å; S179-P381 VanDerWaalsContact OG-CA 3.22Å; S179-P381 WeakPolarHBondContact OG-CA 3.39Å; V182-P381 HydrophobicContact CG2-CB 4.11Å; F233-P381 HydrophobicContact CB-CB 4.44Å; F233-P381 HydrophobicContact CD1-CB 3.83Å; F233-P381 HydrophobicContact CD2-CB 3.58Å; F233-P381 HydrophobicContact CD2-CG 4.1Å; F233-P381 HydrophobicContact CE1-CB 3.88Å; F233-P381 HydrophobicContact CE1-CG 4.27Å; F233-P381 HydrophobicContact CE2-CB 3.65Å; F233-P381 HydrophobicContact CE2-CG 3.66Å; F233-P381 HydrophobicContact CG-CB 3.68Å; F233-P381 HydrophobicContact CZ-CB 3.8Å; F233-P381 HydrophobicContact CZ-CG 3.76Å; L379-P381 VanDerWaalsContact C-CD 3.49Å; L379-P381 VanDerWaalsContact C-N 3.33Å; P381-P384 WeakPolarHBondContact O-CD 3.48Å
382C98.4Very high95.2Very high0 Ų010 Ų100%05%0.052CC..G310 helixtrans-79.9-17.3171.5-63.70000113.1F233 W330 L379 I380 P384 Y385 A386F233-C382 VanDerWaalsContact CD1-SG 3.5Å; F233-C382 VanDerWaalsContact CE1-SG 3.55Å; W330-C382 HydrophobicContact CH2-CB 3.69Å; W330-C382 HydrophobicContact CZ2-CB 3.88Å; L379-C382 VanDerWaalsContact O-CB 3.29Å; L379-C382 WeakPolarHBondContact O-CB 3.4Å; L379-C382 PolarHBondContact O-N 3.24Å; I380-C382 PolarHBondContact O-N 3.39Å; I380-C382 VanDerWaalsContact O-N 3.13Å; C382-P384 VanDerWaalsContact C-CD 3.45Å; C382-Y385 PolarHBondContact O-N 3.5Å; C382-A386 PolarHBondContact O-N 2.86Å
383L98.1Very high95.3Very high0 Ų07.5 Ų7.50%04%0.036CC..Hα-helixtrans-60.2-38.9-171-170.361.9000114Y158 C161 G164 I333 F334 I380 Y385 A386 C387Y158-L383 HydrophobicContact CD2-CD2 4.05Å; Y158-L383 HydrophobicContact CD2-CG 4.26Å; Y158-L383 HydrophobicContact CE2-CD2 4.22Å; C161-L383 HydrophobicContact CB-CD2 4.47Å; G164-L383 VanDerWaalsContact CA-CD2 3.4Å; I333-L383 HydrophobicContact CG2-CD1 4.02Å; F334-L383 HydrophobicContact CD2-CD1 3.9Å; F334-L383 HydrophobicContact CE2-CD1 4.16Å; I380-L383 WeakPolarHBondContact O-CB 3.48Å; I380-L383 PolarHBondContact O-N 3.31Å; L383-Y385 VanDerWaalsContact C-N 3.3Å; L383-Y385 PolarHBondContact O-N 3.03Å; L383-A386 PolarHBondContact O-N 2.88Å; L383-C387 WeakPolarHBondContact O-CB 3.43Å; L383-C387 PolarHBondContact O-N 2.92Å; L383-C387 PolarHBondContact O-SG 3.29Å; L383-C387 VanDerWaalsContact O-SG 3.37Å
384P98.4Very high95.3Very high1 Ų18 Ų81%0.0064%0.041CC..Hα-helixtrans-59.5-41.9177.7-23.435.1000112.2V116 F119 I120 P381 C382 F388V116-P384 HydrophobicContact CG1-CB 4.04Å; V116-P384 HydrophobicContact CG1-CG 3.52Å; F119-P384 HydrophobicContact CD1-CB 3.89Å; F119-P384 HydrophobicContact CE1-CB 4.04Å; I120-P384 HydrophobicContact CD1-CB 4.18Å; I120-P384 HydrophobicContact CG1-CB 3.94Å; P381-P384 WeakPolarHBondContact O-CD 3.48Å; C382-P384 VanDerWaalsContact C-CD 3.45Å; P384-F388 WeakPolarHBondContact O-CB 3.31Å; P384-F388 PolarHBondContact O-N 3.49Å
385Y97.9Very high95.1Very high4 Ų48.9 Ų8.92%0.0165%0.046CC..Hα-helixtrans-66-45.3174.7-57.1-68.4000111.5F119 V182 L237 A357 C382 L383 C387 F388 I389F119-Y385 HydrophobicContact CE1-CD1 4.33Å; F119-Y385 AromaticContact CE1-CE1 3.87Å; F119-Y385 HydrophobicContact CE1-CE1 3.87Å; F119-Y385 HydrophobicContact CZ-CD1 4.34Å; F119-Y385 AromaticContact CZ-CE1 3.68Å; F119-Y385 HydrophobicContact CZ-CE1 3.68Å; V182-Y385 HydrophobicContact CG1-CE2 3.6Å; V182-Y385 WeakPolarHBondContact CG1-OH 3.43Å; L237-Y385 HydrophobicContact CD1-CE1 3.98Å; L237-Y385 WeakPolarHBondContact CD1-OH 3.39Å; L237-Y385 HydrophobicContact CG-CE1 4.42Å; A357-Y385 HydrophobicContact CB-CD1 4.23Å; C382-Y385 PolarHBondContact O-N 3.5Å; L383-Y385 VanDerWaalsContact C-N 3.3Å; L383-Y385 PolarHBondContact O-N 3.03Å; Y385-C387 PolarHBondContact O-N 3.21Å; Y385-F388 PolarHBondContact O-N 3.15Å; Y385-I389 VanDerWaalsContact O-CD1 3.29Å; Y385-I389 WeakPolarHBondContact O-CD1 3.48Å; Y385-I389 WeakPolarHBondContact O-CG1 3.47Å; Y385-I389 PolarHBondContact O-N 3.17Å
386A97.7Very high94.7Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-60.3-45.3178.900000112.4W330 L342 V361 C382 L383 I389 V390W330-A386 HydrophobicContact CH2-CB 4.1Å; W330-A386 HydrophobicContact CZ3-CB 4.01Å; L342-A386 HydrophobicContact CD1-CB 3.98Å; L342-A386 HydrophobicContact CD2-CB 3.84Å; V361-A386 HydrophobicContact CG2-CB 4.19Å; C382-A386 PolarHBondContact O-N 2.86Å; L383-A386 PolarHBondContact O-N 2.88Å; A386-I389 PolarHBondContact O-N 2.96Å; A386-V390 PolarHBondContact O-N 2.87Å
387C97.6Very high94.1Very high0 Ų012.1 Ų12.10%06%0.06CC..Hα-helixtrans-61.2-45.4174.9-73.60000111.7I120 A154 L157 L383 Y385 G391I120-C387 HydrophobicContact CD1-CB 4.29Å; A154-C387 WeakPolarHBondContact CA-O 3.24Å; A154-C387 VanDerWaalsContact CB-O 3.23Å; A154-C387 WeakPolarHBondContact CB-O 3.31Å; L157-C387 HydrophobicContact CB-CB 4.49Å; L383-C387 WeakPolarHBondContact O-CB 3.43Å; L383-C387 PolarHBondContact O-N 2.92Å; L383-C387 PolarHBondContact O-SG 3.29Å; L383-C387 VanDerWaalsContact O-SG 3.37Å; Y385-C387 PolarHBondContact O-N 3.21Å; C387-G391 WeakPolarHBondContact O-CA 3.44Å; C387-G391 PolarHBondContact O-N 3.35Å
388F96Very high93.5Very high6 Ų615.9 Ų15.93%0.0268%0.083CC..Hα-helixtrans-58.5-52.1175.8166.4-108000111.9C123 V127 A357 P384 Y385 H392C123-F388 HydrophobicContact CB-CD2 3.51Å; C123-F388 HydrophobicContact CB-CE2 3.7Å; C123-F388 HydrophobicContact CB-CG 3.96Å; C123-F388 HydrophobicContact CB-CZ 4.28Å; V127-F388 HydrophobicContact CG2-CE2 4.23Å; V127-F388 HydrophobicContact CG2-CZ 3.73Å; A357-F388 HydrophobicContact CB-CD1 3.58Å; A357-F388 HydrophobicContact CB-CE1 3.81Å; P384-F388 WeakPolarHBondContact O-CB 3.31Å; P384-F388 PolarHBondContact O-N 3.49Å; Y385-F388 PolarHBondContact O-N 3.15Å; F388-H392 WeakPolarHBondContact O-CB 3.23Å; F388-H392 PolarHBondContact O-N 3.36Å
389I94.5Very high92.7Very high0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-58.6-54.3-178.4-65.5157000110.7L342 Q345 A357 W358 V361 Y385 A386 S393L342-I389 HydrophobicContact CD1-CB 4.27Å; L342-I389 HydrophobicContact CD1-CD1 3.88Å; L342-I389 HydrophobicContact CD1-CG2 4.23Å; Q345-I389 HydrophobicContact CB-CG2 4.14Å; Q345-I389 HydrophobicContact CG-CG2 3.49Å; Q345-I389 VanDerWaalsContact CG-CG2 3.49Å; A357-I389 HydrophobicContact CB-CD1 3.99Å; A357-I389 HydrophobicContact CB-CG1 3.66Å; W358-I389 VanDerWaalsContact CA-CD1 3.48Å; W358-I389 HydrophobicContact CB-CD1 4.03Å; V361-I389 HydrophobicContact CG2-CD1 3.84Å; Y385-I389 VanDerWaalsContact O-CD1 3.29Å; Y385-I389 WeakPolarHBondContact O-CD1 3.48Å; Y385-I389 WeakPolarHBondContact O-CG1 3.47Å; Y385-I389 PolarHBondContact O-N 3.17Å; A386-I389 PolarHBondContact O-N 2.96Å; I389-S393 WeakPolarHBondContact O-CB 3.49Å; I389-S393 PolarHBondContact O-N 2.66Å
390V94Very high91.7Very high0 Ų029.3 Ų29.30%014%0.14CC..Hα-helixtrans-70.7-41.2-175.4171.40000111.3L157 F334 F338 R341 L342 A386 S393 V394L157-V390 HydrophobicContact CD1-CB 4.34Å; L157-V390 HydrophobicContact CD1-CG1 4.01Å; F334-V390 HydrophobicContact CE1-CB 3.91Å; F334-V390 HydrophobicContact CE1-CG1 4.26Å; F334-V390 HydrophobicContact CE1-CG2 3.7Å; F334-V390 HydrophobicContact CZ-CB 4.09Å; F334-V390 HydrophobicContact CZ-CG1 4.44Å; F334-V390 HydrophobicContact CZ-CG2 4.36Å; F338-V390 HydrophobicContact CB-CG1 4.18Å; F338-V390 HydrophobicContact CD1-CG1 3.77Å; F338-V390 HydrophobicContact CE1-CG1 4.48Å; F338-V390 HydrophobicContact CG-CG1 4.18Å; R341-V390 HydrophobicContact CB-CG1 4.47Å; R341-V390 HydrophobicContact CB-CG2 4.4Å; R341-V390 HydrophobicContact CG-CG1 4.05Å; R341-V390 HydrophobicContact CG-CG2 4.25Å; L342-V390 HydrophobicContact CB-CG2 3.83Å; L342-V390 HydrophobicContact CD1-CG2 4.19Å; A386-V390 PolarHBondContact O-N 2.87Å; V390-S393 WeakPolarHBondContact O-CA 3.21Å; V390-S393 VanDerWaalsContact O-CB 3.29Å; V390-S393 WeakPolarHBondContact O-CB 3.46Å; V390-S393 PolarHBondContact O-N 2.85Å; V390-S393 PolarHBondContact O-OG 2.89Å; V390-V394 HydrophobicContact CG1-CG2 4.38Å; V390-V394 WeakPolarHBondContact O-CG2 3.39Å; V390-V394 PolarHBondContact O-N 3.19Å
391G93.4Very high90.7Very high0 Ų031.5 Ų31.50%015%0.154CC..Hα-helixtrans-59-50.3176.600000112.1C387 S393 V394 D395C387-G391 WeakPolarHBondContact O-CA 3.44Å; C387-G391 PolarHBondContact O-N 3.35Å; G391-S393 PolarHBondContact O-N 3.37Å; G391-V394 PolarHBondContact O-N 3.47Å; G391-V394 VanDerWaalsContact O-N 3.11Å; G391-D395 PolarHBondContact O-N 2.86Å
392H90.3Very high89.2Confident16 Ų1639.2 Ų39.27%0.07419%0.187CC..Hα-helixtrans-61.3-32.9173.7-176.170.6000111.9V127 D128 R350 F388 A396V127-H392 VanDerWaalsContact CG1-CE1 3.48Å; V127-H392 WeakPolarHBondContact CG1-CE1 3.35Å; D128-H392 IonicContact OD1-CE1 3.15Å; D128-H392 PolarHBondContact OD1-CE1 2.92Å; D128-H392 VanDerWaalsContact OD1-CE1 3.24Å; D128-H392 IonicContact OD1-ND1 3.61Å; D128-H392 PolarHBondContact OD1-ND1 3.27Å; R350-H392 PolarHBondContact NH1-O 3.17Å; F388-H392 WeakPolarHBondContact O-CB 3.23Å; F388-H392 PolarHBondContact O-N 3.36Å; H392-A396 WeakPolarHBondContact O-CB 3.42Å; H392-A396 PolarHBondContact O-N 3.49Å; H392-A396 VanDerWaalsContact O-N 3.11Å
393S87.7Confident87.6Confident0 Ų049.3 Ų49.30%023%0.226CC..Hα-helixtrans-62-43.1174.196.20000113.3R341 Q345 R350 I389 V390 G391 K397R341-S393 PolarHBondContact NE-OG 3.12Å; Q345-S393 VanDerWaalsContact NE2-CB 3.34Å; Q345-S393 PolarHBondContact NE2-OG 3.25Å; R350-S393 VanDerWaalsContact NH1-CA 3.31Å; R350-S393 PolarHBondContact NH2-O 2.97Å; I389-S393 WeakPolarHBondContact O-CB 3.49Å; I389-S393 PolarHBondContact O-N 2.66Å; V390-S393 WeakPolarHBondContact O-CA 3.21Å; V390-S393 VanDerWaalsContact O-CB 3.29Å; V390-S393 WeakPolarHBondContact O-CB 3.46Å; V390-S393 PolarHBondContact O-N 2.85Å; V390-S393 PolarHBondContact O-OG 2.89Å; G391-S393 PolarHBondContact O-N 3.37Å; S393-K397 PolarHBondContact O-N 3.49Å
394V88.7Confident85.8Confident42 Ų4259.2 Ų59.226%0.25527%0.269SS..Hα-helixtrans-72.1-48.3-179.8172.10000109.9T153 V390 G391 A396 K397 V398T153-V394 HydrophobicContact CG2-CB 4.16Å; T153-V394 HydrophobicContact CG2-CG1 4.1Å; V390-V394 HydrophobicContact CG1-CG2 4.38Å; V390-V394 WeakPolarHBondContact O-CG2 3.39Å; V390-V394 PolarHBondContact O-N 3.19Å; G391-V394 PolarHBondContact O-N 3.47Å; G391-V394 VanDerWaalsContact O-N 3.11Å; V394-A396 PolarHBondContact O-N 3.4Å; V394-K397 WeakPolarHBondContact O-CB 3.2Å; V394-K397 PolarHBondContact O-N 2.97Å; V394-K397 VanDerWaalsContact O-N 3.08Å; V394-V398 HydrophobicContact CG1-CG2 4.3Å; V394-V398 WeakPolarHBondContact O-CG2 3.37Å; V394-V398 PolarHBondContact O-N 2.94Å
395D87.9Confident84.2Confident25 Ų2563.9 Ų63.913%0.13429%0.293CS..Hα-helixtrans-59.3-45.5-178.7-71-24.4000111.6T153 G391 K397 V398 R399T153-D395 VanDerWaalsContact CB-OD1 3.26Å; T153-D395 WeakPolarHBondContact CB-OD1 3.49Å; T153-D395 PolarHBondContact N-OD2 3.49Å; T153-D395 PolarHBondContact OG1-OD1 2.97Å; G391-D395 PolarHBondContact O-N 2.86Å; D395-K397 VanDerWaalsContact C-N 3.35Å; D395-K397 PolarHBondContact O-N 2.71Å; D395-V398 PolarHBondContact O-N 3.35Å; D395-R399 WeakPolarHBondContact O-CG 3.48Å; D395-R399 PolarHBondContact O-N 3.37Å
396A85.1Confident82.7Confident11 Ų1167.7 Ų67.79%0.09132%0.317CS..Hα-helixtrans-62-41175.800000112.5H392 V394 V398 R399 H400H392-A396 WeakPolarHBondContact O-CB 3.42Å; H392-A396 PolarHBondContact O-N 3.49Å; H392-A396 VanDerWaalsContact O-N 3.11Å; V394-A396 PolarHBondContact O-N 3.4Å; A396-V398 VanDerWaalsContact C-N 3.34Å; A396-V398 PolarHBondContact O-N 2.97Å; A396-R399 PolarHBondContact O-N 3.31Å; A396-H400 PolarHBondContact O-CD2 2.92Å; A396-H400 PolarHBondContact O-N 2.82Å; A396-H400 VanDerWaalsContact O-N 3.12Å
397K84Confident81.4Confident111 Ų11170.1 Ų70.148%0.48333%0.334SS..Hα-helixtrans-62.9-43.2176.9-175.3178.3179.9-177.70110.9S393 V394 D395 H400 T401S393-K397 PolarHBondContact O-N 3.49Å; V394-K397 WeakPolarHBondContact O-CB 3.2Å; V394-K397 PolarHBondContact O-N 2.97Å; V394-K397 VanDerWaalsContact O-N 3.08Å; D395-K397 VanDerWaalsContact C-N 3.35Å; D395-K397 PolarHBondContact O-N 2.71Å; K397-H400 PolarHBondContact O-N 3.46Å; K397-T401 WeakPolarHBondContact O-CB 3.38Å; K397-T401 PolarHBondContact O-N 3Å; K397-T401 PolarHBondContact O-OG1 3.02Å
398V82.9Confident80.7Confident88 Ų8878.7 Ų78.753%0.53337%0.368SS..Hα-helixtrans-63.3-41.6177.3173.40000111.1V394 D395 A396 H400 T401V394-V398 HydrophobicContact CG1-CG2 4.3Å; V394-V398 WeakPolarHBondContact O-CG2 3.37Å; V394-V398 PolarHBondContact O-N 2.94Å; D395-V398 PolarHBondContact O-N 3.35Å; A396-V398 VanDerWaalsContact C-N 3.34Å; A396-V398 PolarHBondContact O-N 2.97Å; V398-H400 VanDerWaalsContact C-N 3.32Å; V398-H400 PolarHBondContact O-N 2.92Å; V398-T401 PolarHBondContact O-N 3.26Å
399R80.4Confident80.1Confident139 Ų13982.7 Ų82.753%0.52539%0.393SS..Hα-helixtrans-61-37175.9-72.9-172.7-66.6-119.717.9113.2D128 D395 A396D128-R399 IonicContact OD1-CZ 3.69Å; D128-R399 IonicContact OD1-NH1 3.49Å; D128-R399 IonicContact OD1-NH2 2.63Å; D128-R399 PolarHBondContact OD1-NH2 3.34Å; D128-R399 IonicContact OD2-CZ 3.5Å; D128-R399 IonicContact OD2-NH1 2.78Å; D128-R399 PolarHBondContact OD2-NH1 3.41Å; D128-R399 IonicContact OD2-NH2 3.55Å; D395-R399 WeakPolarHBondContact O-CG 3.48Å; D395-R399 PolarHBondContact O-N 3.37Å; A396-R399 PolarHBondContact O-N 3.31Å
400H76.8Confident79.6Confident167 Ų16784.9 Ų84.977%0.77341%0.407SS*.Hα-helixtrans-86-14.9179.4-70.9-65.9000114.4A396 K397 V398A396-H400 PolarHBondContact O-CD2 2.92Å; A396-H400 PolarHBondContact O-N 2.82Å; A396-H400 VanDerWaalsContact O-N 3.12Å; K397-H400 PolarHBondContact O-N 3.46Å; V398-H400 VanDerWaalsContact C-N 3.32Å; V398-H400 PolarHBondContact O-N 2.92Å
401T76Confident79.2Confident51 Ų5189.5 Ų89.531%0.31343%0.431SS..SBendtrans-86.9129.7179.4-54.50000109.5K397 V398 R403 D405K397-T401 WeakPolarHBondContact O-CB 3.38Å; K397-T401 PolarHBondContact O-N 3Å; K397-T401 PolarHBondContact O-OG1 3.02Å; V398-T401 PolarHBondContact O-N 3.26Å; T401-R403 PolarHBondContact O-N 3.36Å; T401-D405 HydrophobicContact CG2-CB 3.98Å; T401-D405 WeakPolarHBondContact CG2-O 3.5Å
402K67.7Low79.1Confident163 Ų16392.4 Ų92.471%0.70945%0.446SS*.  trans-59.5136.9173.2-71-179-179.8176.30108.9K404 D405K402-K404 PolarHBondContact O-N 3.49Å; K402-D405 WeakPolarHBondContact O-CA 3.4Å; K402-D405 PolarHBondContact O-N 3.17Å
403R63.5Low79.1Confident212 Ų21292.4 Ų92.480%0.845%0.449SS*.G310 helixtrans-56.1-24.4-173.1-154.1178.1-168.1163.64.4114.5T401 D405T401-R403 PolarHBondContact O-N 3.36Å; R403-D405 VanDerWaalsContact C-N 3.32Å
404K61.9Low79.3Confident208 Ų20896.2 Ų96.290%0.90447%0.472SS*.G310 helixtrans-76.5-15.4175.3-68.7-171177.6-175.80113.7K402K402-K404 PolarHBondContact O-N 3.49Å
405D64.7Low79.6Confident98 Ų9898.2 Ų98.252%0.52448%0.484SS..G310 helixtrans-109.228-174.5-56.2-32000112.2T401 K402 R403 S407T401-D405 HydrophobicContact CG2-CB 3.98Å; T401-D405 WeakPolarHBondContact CG2-O 3.5Å; K402-D405 WeakPolarHBondContact O-CA 3.4Å; K402-D405 PolarHBondContact O-N 3.17Å; R403-D405 VanDerWaalsContact C-N 3.32Å; D405-S407 VanDerWaalsContact C-N 3.32Å; D405-S407 PolarHBondContact O-N 3.14Å
406V65Low80Confident84 Ų84101 Ų10151%0.50950%0.499SS..  trans-59.1102.7169.6177.30000107.3Y408 C410V406-Y408 PolarHBondContact O-N 2.96Å; V406-C410 HydrophobicContact CG1-CB 4.43Å
407S72.2Confident80.6Confident52 Ų52101.3 Ų101.336%0.36450%0.497SS..  trans-59.9134.4-174.3-177.50000109.3D405 T409 C410D405-S407 VanDerWaalsContact C-N 3.32Å; D405-S407 PolarHBondContact O-N 3.14Å; S407-T409 PolarHBondContact O-N 3.06Å; S407-T409 WeakPolarHBondContact OG-CB 3.2Å; S407-T409 PolarHBondContact OG-N 2.85Å; S407-T409 PolarHBondContact OG-OG1 3.45Å; S407-C410 WeakPolarHBondContact O-CB 3.43Å; S407-C410 PolarHBondContact O-N 3.26Å
408Y81.8Confident81.2Confident179 Ų179101 Ų10170%0.70250%0.5SS*.Hα-helixtrans-42.4-34.1166.6178.8-113.2000112.3V406 C410 I411 I412V406-Y408 PolarHBondContact O-N 2.96Å; Y408-C410 PolarHBondContact O-N 2.94Å; Y408-I411 PolarHBondContact O-N 3.26Å; Y408-I412 HydrophobicContact CD1-CD1 3.42Å; Y408-I412 VanDerWaalsContact CD1-CD1 3.42Å; Y408-I412 HydrophobicContact CD1-CG1 4.35Å; Y408-I412 HydrophobicContact CE1-CD1 3.12Å; Y408-I412 HydrophobicContact CE1-CG1 4.08Å; Y408-I412 HydrophobicContact CE2-CD1 4.3Å; Y408-I412 HydrophobicContact CE2-CG1 4.43Å; Y408-I412 HydrophobicContact CG-CD1 4.13Å; Y408-I412 WeakPolarHBondContact O-CG1 3.34Å; Y408-I412 PolarHBondContact O-N 2.94Å
409T82.7Confident81.9Confident90 Ų90102.9 Ų102.955%0.55250%0.501SS*.Hα-helixtrans-56.1-41.1173.2-41.90000114.1S407 A413S407-T409 PolarHBondContact O-N 3.06Å; S407-T409 WeakPolarHBondContact OG-CB 3.2Å; S407-T409 PolarHBondContact OG-N 2.85Å; S407-T409 PolarHBondContact OG-OG1 3.45Å; T409-A413 WeakPolarHBondContact O-CB 3.31Å; T409-A413 PolarHBondContact O-N 3.43Å
410C84.2Confident82.7Confident46 Ų4698.3 Ų98.331%0.31149%0.486SS..Hα-helixtrans-68.2-39.9179-67.40000111.1V406 S407 Y408 A413 V414V406-C410 HydrophobicContact CG1-CB 4.43Å; S407-C410 WeakPolarHBondContact O-CB 3.43Å; S407-C410 PolarHBondContact O-N 3.26Å; Y408-C410 PolarHBondContact O-N 2.94Å; C410-A413 PolarHBondContact O-N 3.33Å; C410-V414 WeakPolarHBondContact O-CG2 3.4Å; C410-V414 PolarHBondContact O-N 2.85Å; C410-V414 VanDerWaalsContact O-N 3.12Å
411I86.6Confident83.7Confident97 Ų9790.6 Ų90.650%0.49745%0.45SS..Hα-helixtrans-64-47.4176.7-63.9171000109.6Y408 A413 V414 V415Y408-I411 PolarHBondContact O-N 3.26Å; I411-A413 VanDerWaalsContact C-N 3.33Å; I411-A413 PolarHBondContact O-N 2.86Å; I411-V414 PolarHBondContact O-N 3.48Å; I411-V415 HydrophobicContact CG2-CG2 4.38Å; I411-V415 WeakPolarHBondContact O-CG2 3.24Å; I411-V415 PolarHBondContact O-N 3.31Å
412I90.3Very high84.7Confident62 Ų6294.1 Ų94.132%0.31846%0.461SS..Hα-helixtrans-57-46.5175.7-70.1165.5000111.3Y408 V414 V415 L416Y408-I412 HydrophobicContact CD1-CD1 3.42Å; Y408-I412 VanDerWaalsContact CD1-CD1 3.42Å; Y408-I412 HydrophobicContact CD1-CG1 4.35Å; Y408-I412 HydrophobicContact CE1-CD1 3.12Å; Y408-I412 HydrophobicContact CE1-CG1 4.08Å; Y408-I412 HydrophobicContact CE2-CD1 4.3Å; Y408-I412 HydrophobicContact CE2-CG1 4.43Å; Y408-I412 HydrophobicContact CG-CD1 4.13Å; Y408-I412 WeakPolarHBondContact O-CG1 3.34Å; Y408-I412 PolarHBondContact O-N 2.94Å; I412-V414 VanDerWaalsContact C-N 3.29Å; I412-V414 PolarHBondContact O-N 3.42Å; I412-V415 PolarHBondContact O-N 2.91Å; I412-L416 HydrophobicContact CG2-CD1 3.56Å; I412-L416 HydrophobicContact CG2-CG 4.04Å; I412-L416 WeakPolarHBondContact O-CB 3.15Å; I412-L416 WeakPolarHBondContact O-CG 3.28Å; I412-L416 PolarHBondContact O-N 3.35Å
413A91.8Very high86.1Confident16 Ų1689.9 Ų89.913%0.13245%0.446CS..Hα-helixtrans-59.4-40.7-179.800000112.3I337 T409 C410 I411 W417I337-A413 HydrophobicContact CD1-CB 4.43Å; I337-A413 HydrophobicContact CG2-CB 4.14Å; T409-A413 WeakPolarHBondContact O-CB 3.31Å; T409-A413 PolarHBondContact O-N 3.43Å; C410-A413 PolarHBondContact O-N 3.33Å; I411-A413 VanDerWaalsContact C-N 3.33Å; I411-A413 PolarHBondContact O-N 2.86Å; A413-W417 WeakPolarHBondContact O-CB 3.48Å; A413-W417 PolarHBondContact O-N 3.18Å
414V92Very high87.7Confident79 Ų7980.4 Ų80.448%0.47941%0.41SS..Hα-helixtrans-68-44.3176.2172.80000111.4C410 I411 I412 L416 W417 I418C410-V414 WeakPolarHBondContact O-CG2 3.4Å; C410-V414 PolarHBondContact O-N 2.85Å; C410-V414 VanDerWaalsContact O-N 3.12Å; I411-V414 PolarHBondContact O-N 3.48Å; I412-V414 VanDerWaalsContact C-N 3.29Å; I412-V414 PolarHBondContact O-N 3.42Å; V414-L416 PolarHBondContact O-N 2.91Å; V414-W417 WeakPolarHBondContact O-CB 3.2Å; V414-W417 PolarHBondContact O-N 3.4Å; V414-I418 HydrophobicContact CG1-CD1 3.84Å; V414-I418 HydrophobicContact CG1-CG1 4.46Å; V414-I418 WeakPolarHBondContact O-CG1 3.26Å; V414-I418 PolarHBondContact O-N 3.32Å
415V94.7Very high89.3Confident85 Ų8572.1 Ų72.152%0.51538%0.376SS..Hα-helixtrans-61.2-46177.7170.90000110.9I411 I412 W417 I418 F419I411-V415 HydrophobicContact CG2-CG2 4.38Å; I411-V415 WeakPolarHBondContact O-CG2 3.24Å; I411-V415 PolarHBondContact O-N 3.31Å; I412-V415 PolarHBondContact O-N 2.91Å; V415-W417 VanDerWaalsContact C-N 3.34Å; V415-W417 PolarHBondContact O-N 2.89Å; V415-I418 PolarHBondContact O-N 2.86Å; V415-F419 WeakPolarHBondContact O-CB 3.35Å; V415-F419 PolarHBondContact O-N 3.41Å
416L96Very high90.8Very high84 Ų8470.9 Ų70.944%0.4437%0.369SS..Hα-helixtrans-65-37.4177.8-71.2175.4000112.1I337 I412 V414 H420I337-L416 HydrophobicContact CD1-CB 4.23Å; I337-L416 HydrophobicContact CD1-CD1 3.49Å; I337-L416 VanDerWaalsContact CD1-CD1 3.49Å; I412-L416 HydrophobicContact CG2-CD1 3.56Å; I412-L416 HydrophobicContact CG2-CG 4.04Å; I412-L416 WeakPolarHBondContact O-CB 3.15Å; I412-L416 WeakPolarHBondContact O-CG 3.28Å; I412-L416 PolarHBondContact O-N 3.35Å; V414-L416 PolarHBondContact O-N 2.91Å; L416-H420 WeakPolarHBondContact O-CB 3.5Å; L416-H420 PolarHBondContact O-N 3.37Å
417W97Very high92.2Very high17 Ų1768.8 Ų68.86%0.06435%0.353CS..Hα-helixtrans-61.4-51.5172.6170.2-98.4000111.9L157 S160 C161 F334 F338 A413 V414 V415 F419 H420 Q421L157-W417 HydrophobicContact CD2-CD2 4.26Å; L157-W417 HydrophobicContact CD2-CH2 4.25Å; L157-W417 HydrophobicContact CD2-CZ2 3.95Å; L157-W417 WeakPolarHBondContact O-CZ2 3.38Å; S160-W417 PolarHBondContact OG-NE1 3.47Å; C161-W417 HydrophobicContact CB-CH2 3.96Å; C161-W417 HydrophobicContact CB-CZ2 3.95Å; F334-W417 AromaticContact CD2-CH2 3.76Å; F334-W417 HydrophobicContact CD2-CH2 3.76Å; F334-W417 AromaticContact CD2-CZ3 3.87Å; F334-W417 HydrophobicContact CD2-CZ3 3.87Å; F334-W417 AromaticContact CE2-CH2 3.93Å; F334-W417 HydrophobicContact CE2-CH2 3.93Å; F334-W417 HydrophobicContact CE2-CZ3 4.25Å; F334-W417 HydrophobicContact CG-CZ3 4.4Å; F334-W417 VanDerWaalsContact O-CZ3 3.31Å; F334-W417 WeakPolarHBondContact O-CZ3 3.42Å; F338-W417 HydrophobicContact CD2-CB 4.47Å; F338-W417 AromaticContact CD2-CD2 3.85Å; F338-W417 HydrophobicContact CD2-CD2 3.85Å; F338-W417 AromaticContact CD2-CE3 3.24Å; F338-W417 HydrophobicContact CD2-CE3 3.24Å; F338-W417 HydrophobicContact CD2-CG 4.39Å; F338-W417 AromaticContact CD2-CZ3 3.62Å; F338-W417 HydrophobicContact CD2-CZ3 3.62Å; F338-W417 HydrophobicContact CE2-CB 3.63Å; F338-W417 AromaticContact CE2-CD2 3.53Å; F338-W417 HydrophobicContact CE2-CD2 3.53Å; F338-W417 AromaticContact CE2-CE3 3.45Å; F338-W417 HydrophobicContact CE2-CE3 3.45Å; F338-W417 VanDerWaalsContact CE2-CE3 3.45Å; F338-W417 AromaticContact CE2-CG 3.64Å; F338-W417 HydrophobicContact CE2-CG 3.64Å; F338-W417 HydrophobicContact CE2-CZ3 4.18Å; F338-W417 HydrophobicContact CZ-CB 4.36Å; A413-W417 WeakPolarHBondContact O-CB 3.48Å; A413-W417 PolarHBondContact O-N 3.18Å; V414-W417 WeakPolarHBondContact O-CB 3.2Å; V414-W417 PolarHBondContact O-N 3.4Å; V415-W417 VanDerWaalsContact C-N 3.34Å; V415-W417 PolarHBondContact O-N 2.89Å; W417-F419 VanDerWaalsContact C-N 3.3Å; W417-F419 PolarHBondContact O-N 3.4Å; W417-H420 PolarHBondContact O-N 3.22Å; W417-Q421 HydrophobicContact CD2-CG 3.72Å; W417-Q421 HydrophobicContact CE3-CG 4.04Å; W417-Q421 HydrophobicContact CG-CG 4.3Å; W417-Q421 HydrophobicContact CH2-CG 4.12Å; W417-Q421 HydrophobicContact CZ2-CG 3.71Å; W417-Q421 HydrophobicContact CZ3-CG 4.27Å; W417-Q421 WeakPolarHBondContact O-CB 3.39Å; W417-Q421 VanDerWaalsContact O-CG 3.31Å; W417-Q421 WeakPolarHBondContact O-CG 3.26Å; W417-Q421 PolarHBondContact O-N 2.91Å
418I96.7Very high93.3Very high104 Ų10467.7 Ų67.753%0.53334%0.341SS..Hα-helixtrans-58.8-46-179.6-68.5168.1000110V414 V415 F422V414-I418 HydrophobicContact CG1-CD1 3.84Å; V414-I418 HydrophobicContact CG1-CG1 4.46Å; V414-I418 WeakPolarHBondContact O-CG1 3.26Å; V414-I418 PolarHBondContact O-N 3.32Å; V415-I418 PolarHBondContact O-N 2.86Å; I418-F422 WeakPolarHBondContact O-CB 3.3Å; I418-F422 PolarHBondContact O-N 3.24Å
419F97.7Very high93.9Very high127 Ų12759.1 Ų59.156%0.55731%0.308SS*.Hα-helixtrans-61.7-47.7178.1-179.1-106.2000112.3V415 W417 F422 I423V415-F419 WeakPolarHBondContact O-CB 3.35Å; V415-F419 PolarHBondContact O-N 3.41Å; W417-F419 VanDerWaalsContact C-N 3.3Å; W417-F419 PolarHBondContact O-N 3.4Å; F419-F422 PolarHBondContact O-N 3.37Å; F419-I423 HydrophobicContact CD1-CD1 3.83Å; F419-I423 HydrophobicContact CD2-CD1 4.41Å; F419-I423 HydrophobicContact CE1-CD1 3.32Å; F419-I423 HydrophobicContact CE2-CD1 3.97Å; F419-I423 HydrophobicContact CG-CD1 4.36Å; F419-I423 HydrophobicContact CZ-CD1 3.42Å; F419-I423 VanDerWaalsContact CZ-CD1 3.42Å; F419-I423 HydrophobicContact CZ-CG1 4.41Å; F419-I423 WeakPolarHBondContact O-CG1 3.42Å; F419-I423 PolarHBondContact O-N 3.48Å
420H98Very high94.4Very high44 Ų4457.6 Ų57.620%0.20429%0.292CS..Hα-helixtrans-59-52.1177.7-179.178000111.6L332 L416 W417 F422 I423 L424L332-H420 PolarHBondContact O-NE2 3.46Å; L416-H420 WeakPolarHBondContact O-CB 3.5Å; L416-H420 PolarHBondContact O-N 3.37Å; W417-H420 PolarHBondContact O-N 3.22Å; H420-F422 VanDerWaalsContact C-N 3.34Å; H420-F422 PolarHBondContact O-N 2.9Å; H420-I423 PolarHBondContact O-N 2.88Å; H420-L424 WeakPolarHBondContact NE2-CD1 3.49Å; H420-L424 WeakPolarHBondContact O-CG 3.5Å; H420-L424 PolarHBondContact O-N 3.26Å; H420-L424 VanDerWaalsContact O-N 3.14Å
421Q97.6Very high94.9Very high4 Ų457.9 Ų57.92%0.01929%0.29CS..Hα-helixtrans-65.4-37.4-179.6-61.8-55.8-23.400112.1S160 I333 W417 I423 L424 I425S160-Q421 WeakPolarHBondContact O-CB 3.22Å; I333-Q421 PolarHBondContact O-NE2 2.94Å; W417-Q421 HydrophobicContact CD2-CG 3.72Å; W417-Q421 HydrophobicContact CE3-CG 4.04Å; W417-Q421 HydrophobicContact CG-CG 4.3Å; W417-Q421 HydrophobicContact CH2-CG 4.12Å; W417-Q421 HydrophobicContact CZ2-CG 3.71Å; W417-Q421 HydrophobicContact CZ3-CG 4.27Å; W417-Q421 WeakPolarHBondContact O-CB 3.39Å; W417-Q421 VanDerWaalsContact O-CG 3.31Å; W417-Q421 WeakPolarHBondContact O-CG 3.26Å; W417-Q421 PolarHBondContact O-N 2.91Å; Q421-I423 PolarHBondContact O-N 3.29Å; Q421-L424 PolarHBondContact O-N 3.15Å; Q421-I425 VanDerWaalsContact O-CG1 3.25Å; Q421-I425 WeakPolarHBondContact O-CG1 3.41Å; Q421-I425 PolarHBondContact O-N 3.04Å
422F96.6Very high95.2Very high125 Ų12553.5 Ų53.555%0.54827%0.267SS..Hα-helixtrans-60-45.3174.8176.2-100.8000112.2I418 F419 H420 L424 I425 L426I418-F422 WeakPolarHBondContact O-CB 3.3Å; I418-F422 PolarHBondContact O-N 3.24Å; F419-F422 PolarHBondContact O-N 3.37Å; H420-F422 VanDerWaalsContact C-N 3.34Å; H420-F422 PolarHBondContact O-N 2.9Å; F422-L424 VanDerWaalsContact C-N 3.32Å; F422-L424 PolarHBondContact O-N 3.23Å; F422-I425 PolarHBondContact O-N 2.89Å; F422-L426 WeakPolarHBondContact O-CB 3.39Å; F422-L426 PolarHBondContact O-N 2.98Å
423I97.5Very high95.4Very high75 Ų7550.5 Ų50.539%0.38525%0.252SS..Hα-helixtrans-59.4-44.9176-72.7169.4000110.8F419 H420 Q421 L426 F427F419-I423 HydrophobicContact CD1-CD1 3.83Å; F419-I423 HydrophobicContact CD2-CD1 4.41Å; F419-I423 HydrophobicContact CE1-CD1 3.32Å; F419-I423 HydrophobicContact CE2-CD1 3.97Å; F419-I423 HydrophobicContact CG-CD1 4.36Å; F419-I423 HydrophobicContact CZ-CD1 3.42Å; F419-I423 VanDerWaalsContact CZ-CD1 3.42Å; F419-I423 HydrophobicContact CZ-CG1 4.41Å; F419-I423 WeakPolarHBondContact O-CG1 3.42Å; F419-I423 PolarHBondContact O-N 3.48Å; H420-I423 PolarHBondContact O-N 2.88Å; Q421-I423 PolarHBondContact O-N 3.29Å; I423-L426 PolarHBondContact O-N 3.49Å; I423-F427 VanDerWaalsContact O-CB 3.25Å; I423-F427 WeakPolarHBondContact O-CB 3.12Å; I423-F427 PolarHBondContact O-N 3.04Å
424L97.1Very high95.4Very high12 Ų1249.8 Ų49.86%0.06325%0.246CC..Hα-helixtrans-65.6-40.5179.9-63.3178.1000112.3A162 F163 L332 H420 Q421 F422 L426 F427 Y428A162-L424 HydrophobicContact CB-CB 3.54Å; A162-L424 HydrophobicContact CB-CD1 4.18Å; F163-L424 HydrophobicContact CD2-CD1 4.43Å; F163-L424 HydrophobicContact CE2-CD1 4.33Å; L332-L424 HydrophobicContact CD1-CD2 3.65Å; L332-L424 VanDerWaalsContact O-CD1 3.24Å; L332-L424 WeakPolarHBondContact O-CD1 3.41Å; H420-L424 WeakPolarHBondContact NE2-CD1 3.49Å; H420-L424 WeakPolarHBondContact O-CG 3.5Å; H420-L424 PolarHBondContact O-N 3.26Å; H420-L424 VanDerWaalsContact O-N 3.14Å; Q421-L424 PolarHBondContact O-N 3.15Å; F422-L424 VanDerWaalsContact C-N 3.32Å; F422-L424 PolarHBondContact O-N 3.23Å; L424-L426 VanDerWaalsContact C-N 3.35Å; L424-F427 PolarHBondContact O-N 2.66Å; L424-Y428 HydrophobicContact CB-CD2 4.31Å; L424-Y428 HydrophobicContact CD2-CD2 4.4Å; L424-Y428 HydrophobicContact CD2-CE2 3.95Å; L424-Y428 WeakPolarHBondContact O-CB 3.36Å; L424-Y428 WeakPolarHBondContact O-CD2 3.24Å; L424-Y428 PolarHBondContact O-N 3.02Å
425I95.4Very high95.6Very high34 Ų3446 Ų4617%0.17422%0.223CC..Hα-helixtrans-61.8-45.3175.3-68.2163.6000110.2A162 S166 L167 Q421 F422 G429A162-I425 HydrophobicContact CB-CG1 3.99Å; S166-I425 WeakPolarHBondContact OG-CD1 3.4Å; L167-I425 HydrophobicContact CB-CG1 4.44Å; Q421-I425 VanDerWaalsContact O-CG1 3.25Å; Q421-I425 WeakPolarHBondContact O-CG1 3.41Å; Q421-I425 PolarHBondContact O-N 3.04Å; F422-I425 PolarHBondContact O-N 2.89Å; I425-G429 WeakPolarHBondContact O-CA 3.4Å; I425-G429 PolarHBondContact O-N 3.46Å
426L95.2Very high95.5Very high72 Ų7242 Ų4238%0.37720%0.199SC..Hα-helixtrans-63.9-48.5178-178.963000111.3F422 I423 L424 Y430 L431F422-L426 WeakPolarHBondContact O-CB 3.39Å; F422-L426 PolarHBondContact O-N 2.98Å; I423-L426 PolarHBondContact O-N 3.49Å; L424-L426 VanDerWaalsContact C-N 3.35Å; L426-Y430 PolarHBondContact O-N 3.28Å; L426-L431 HydrophobicContact CD1-CD1 4.46Å; L426-L431 HydrophobicContact CD1-CG 4.32Å; L426-L431 HydrophobicContact CD2-CD1 4.17Å; L426-L431 HydrophobicContact CG-CD1 3.82Å; L426-L431 HydrophobicContact CG-CG 4.11Å; L426-L431 PolarHBondContact O-N 3.26Å; L426-L431 VanDerWaalsContact O-N 3.14Å
427F95.8Very high95.2Very high40 Ų4038 Ų3818%0.17518%0.178CC..Iπ-helixtrans-63-58.6-177.1177.6-105000112I423 L424 L431 H432 L544 M546I423-F427 VanDerWaalsContact O-CB 3.25Å; I423-F427 WeakPolarHBondContact O-CB 3.12Å; I423-F427 PolarHBondContact O-N 3.04Å; L424-F427 PolarHBondContact O-N 2.66Å; F427-L431 PolarHBondContact O-N 3.27Å; F427-H432 HydrophobicContact CD2-CB 4.48Å; F427-H432 HydrophobicContact CE1-CB 4.2Å; F427-H432 HydrophobicContact CE2-CB 4.01Å; F427-H432 AromaticContact CE2-CD2 3.94Å; F427-H432 HydrophobicContact CZ-CB 3.87Å; F427-H432 AromaticContact CZ-CD2 3.51Å; F427-H432 AromaticContact CZ-CG 3.82Å; F427-H432 WeakPolarHBondContact O-CB 3.46Å; F427-H432 PolarHBondContact O-N 3.04Å; F427-L544 HydrophobicContact CD2-CD2 4.12Å; F427-L544 HydrophobicContact CE2-CD2 3.87Å; F427-M546 HydrophobicContact CD2-CE 4.32Å; F427-M546 HydrophobicContact CE2-CE 3.38Å; F427-M546 HydrophobicContact CE2-CG 4.11Å; F427-M546 HydrophobicContact CZ-CE 3.93Å; F427-M546 HydrophobicContact CZ-CG 3.86Å
428Y94.5Very high95Very high29 Ų2938.9 Ų38.911%0.11419%0.187CC..Iπ-helixtrans-76.5-32.5-177.2-69.2-65.2000112.4G28 Y29 F163 R171 L424G28-Y428 CarbonylContact C-O 3.59Å; G28-Y428 VanDerWaalsContact O-O 3.13Å; Y29-Y428 WeakPolarHBondContact CB-O 3.49Å; Y29-Y428 AromaticContact CD1-CD1 3.96Å; Y29-Y428 HydrophobicContact CD1-CD1 3.96Å; Y29-Y428 AromaticContact CD2-CD1 3.44Å; Y29-Y428 HydrophobicContact CD2-CD1 3.44Å; Y29-Y428 VanDerWaalsContact CD2-CD1 3.44Å; Y29-Y428 AromaticContact CD2-CE1 3.82Å; Y29-Y428 HydrophobicContact CD2-CE1 3.82Å; Y29-Y428 HydrophobicContact CE1-CD1 4.1Å; Y29-Y428 HydrophobicContact CE1-CE1 4.38Å; Y29-Y428 AromaticContact CE2-CD1 3.65Å; Y29-Y428 HydrophobicContact CE2-CD1 3.65Å; Y29-Y428 AromaticContact CE2-CE1 3.54Å; Y29-Y428 HydrophobicContact CE2-CE1 3.54Å; Y29-Y428 AromaticContact CG-CD1 3.61Å; Y29-Y428 HydrophobicContact CG-CD1 3.61Å; Y29-Y428 HydrophobicContact CG-CE1 4.37Å; Y29-Y428 AromaticContact CZ-CD1 3.95Å; Y29-Y428 AromaticContact CZ-CE1 3.82Å; Y29-Y428 PolarHBondContact N-O 3.1Å; F163-Y428 HydrophobicContact CE2-CD2 4.41Å; F163-Y428 AromaticContact CE2-CE2 3.88Å; F163-Y428 HydrophobicContact CE2-CE2 3.88Å; F163-Y428 AromaticContact CZ-CE2 3.92Å; F163-Y428 HydrophobicContact CZ-CE2 3.92Å; R171-Y428 PolarHBondContact NH2-O 3.32Å; L424-Y428 HydrophobicContact CB-CD2 4.31Å; L424-Y428 HydrophobicContact CD2-CD2 4.4Å; L424-Y428 HydrophobicContact CD2-CE2 3.95Å; L424-Y428 WeakPolarHBondContact O-CB 3.36Å; L424-Y428 WeakPolarHBondContact O-CD2 3.24Å; L424-Y428 PolarHBondContact O-N 3.02Å
429G93.6Very high94.9Very high0 Ų034 Ų340%016%0.161CC..Iπ-helixtrans-77.2-36.2-178.500000114.1Q26 S27 G28 I425Q26-G429 WeakPolarHBondContact CB-O 3.25Å; S27-G429 PolarHBondContact N-O 3.16Å; G28-G429 WeakPolarHBondContact CA-O 3.37Å; G28-G429 PolarHBondContact N-O 3.46Å; I425-G429 WeakPolarHBondContact O-CA 3.4Å; I425-G429 PolarHBondContact O-N 3.46Å
430Y93.8Very high94.7Very high57 Ų5728 Ų2822%0.22414%0.135CC..Iπ-helixtrans-138.8-17.1-163.1-60.8-78.9000115.6N24 L426 A434 P542N24-Y430 PolarHBondContact ND2-OH 3.18Å; L426-Y430 PolarHBondContact O-N 3.28Å; Y430-A434 WeakPolarHBondContact O-CB 3.34Å; Y430-P542 WeakPolarHBondContact O-CG 3.49Å
431L94.3Very high94.4Very high52 Ų5228.8 Ų28.827%0.27214%0.138SC..Iπ-helixtrans-104.7-56.1-176.9-61.6-179.8000112.6L426 F427 Q433 A434 P542 L544L426-L431 HydrophobicContact CD1-CD1 4.46Å; L426-L431 HydrophobicContact CD1-CG 4.32Å; L426-L431 HydrophobicContact CD2-CD1 4.17Å; L426-L431 HydrophobicContact CG-CD1 3.82Å; L426-L431 HydrophobicContact CG-CG 4.11Å; L426-L431 PolarHBondContact O-N 3.26Å; L426-L431 VanDerWaalsContact O-N 3.14Å; F427-L431 PolarHBondContact O-N 3.27Å; L431-Q433 PolarHBondContact O-N 2.71Å; L431-A434 PolarHBondContact O-N 3.28Å; L431-P542 HydrophobicContact CD2-CB 3.96Å; L431-P542 HydrophobicContact CD2-CG 4.27Å; L431-L544 HydrophobicContact CB-CB 4.28Å; L431-L544 HydrophobicContact CB-CD2 4.25Å; L431-L544 PolarHBondContact O-N 2.82Å
432H94.4Very high94.2Very high5 Ų532.2 Ų32.22%0.02316%0.159CC..BIsolated β-bridgetrans-61.5121.8-170.8-168.2-106.9000110.9G28 Y29 F427 A434 Y459 L544 E547G28-H432 CarbonylContact C-O 3.59Å; G28-H432 VanDerWaalsContact CA-O 3.28Å; G28-H432 WeakPolarHBondContact CA-O 3.36Å; Y29-H432 AromaticContact CD2-ND1 3.43Å; Y29-H432 WeakPolarHBondContact CD2-ND1 3.38Å; Y29-H432 PolarHBondContact N-O 3.17Å; F427-H432 HydrophobicContact CD2-CB 4.48Å; F427-H432 HydrophobicContact CE1-CB 4.2Å; F427-H432 HydrophobicContact CE2-CB 4.01Å; F427-H432 AromaticContact CE2-CD2 3.94Å; F427-H432 HydrophobicContact CZ-CB 3.87Å; F427-H432 AromaticContact CZ-CD2 3.51Å; F427-H432 AromaticContact CZ-CG 3.82Å; F427-H432 WeakPolarHBondContact O-CB 3.46Å; F427-H432 PolarHBondContact O-N 3.04Å; H432-A434 PolarHBondContact O-N 2.99Å; H432-Y459 AromaticContact CE1-CE2 3.96Å; H432-Y459 AromaticContact CE1-CZ 3.75Å; H432-L544 CarbonylContact C-O 3.54Å; H432-L544 VanDerWaalsContact CA-O 3.28Å; H432-L544 WeakPolarHBondContact CA-O 3.41Å; H432-L544 PolarHBondContact CD2-O 3.38Å; H432-E547 IonicContact CE1-OE1 3.38Å; H432-E547 IonicContact NE2-OE1 3.09Å
433Q92.6Very high94Very high0 Ų026.5 Ų26.50%013%0.134CC..THydrogen-bonded Turntrans54.217178.2-64.3-74.3-21.800115.3L30 L431 G435 L436 Y459 H543 L544 S545 E547L30-Q433 WeakPolarHBondContact CD1-O 3.16Å; L431-Q433 PolarHBondContact O-N 2.71Å; Q433-G435 PolarHBondContact O-N 3.41Å; Q433-L436 WeakPolarHBondContact O-CB 3.42Å; Q433-L436 PolarHBondContact O-N 3.48Å; Q433-Y459 HydrophobicContact CB-CD2 4.46Å; Q433-Y459 HydrophobicContact CG-CD1 4.23Å; Q433-Y459 HydrophobicContact CG-CD2 3.99Å; Q433-Y459 HydrophobicContact CG-CE2 4.35Å; Q433-Y459 HydrophobicContact CG-CG 3.97Å; Q433-H543 PolarHBondContact O-ND1 3.22Å; Q433-H543 PolarHBondContact OE1-CE1 3.49Å; Q433-H543 PolarHBondContact OE1-NE2 2.87Å; Q433-L544 PolarHBondContact N-O 3.34Å; Q433-S545 PolarHBondContact NE2-OG 3.15Å; Q433-E547 PolarHBondContact NE2-OE2 3Å
434A93.8Very high93.7Very high0 Ų025.9 Ų25.90%014%0.136CC..THydrogen-bonded Turntrans-68.2-33.4-164.100000115.7S27 Y430 L431 H432 L436 F437 S438 P542S27-A434 VanDerWaalsContact O-CA 3.28Å; S27-A434 WeakPolarHBondContact O-CA 3.34Å; Y430-A434 WeakPolarHBondContact O-CB 3.34Å; L431-A434 PolarHBondContact O-N 3.28Å; H432-A434 PolarHBondContact O-N 2.99Å; A434-L436 PolarHBondContact O-N 3.34Å; A434-L436 VanDerWaalsContact O-N 3.15Å; A434-F437 PolarHBondContact O-N 3.02Å; A434-S438 PolarHBondContact O-N 3.27Å; A434-P542 CarbonylContact C-O 3.19Å; A434-P542 HydrophobicContact CB-CG 4.34Å; A434-P542 VanDerWaalsContact CB-O 3.29Å; A434-P542 WeakPolarHBondContact CB-O 3.49Å
435G94.6Very high93.3Very high0 Ų027 Ų270%014%0.144CC..Hα-helixtrans-62.6-21179.700000114.3Q433 S438 Y439 P542 H543 L567Q433-G435 PolarHBondContact O-N 3.41Å; G435-S438 PolarHBondContact O-N 2.88Å; G435-Y439 WeakPolarHBondContact O-CB 3.29Å; G435-Y439 PolarHBondContact O-N 2.93Å; G435-P542 WeakPolarHBondContact CA-O 3.41Å; G435-P542 PolarHBondContact N-O 2.95Å; G435-H543 PolarHBondContact N-ND1 2.63Å; G435-H543 VanDerWaalsContact N-ND1 3.14Å; G435-L567 WeakPolarHBondContact O-CD2 3.26Å
436L93.2Very high92.8Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-63.1-47.9178.6-178.172.2000110.4L30 Q433 A434 Y439 M440 F455 Y459 P461L30-L436 HydrophobicContact CB-CD2 4.46Å; L30-L436 HydrophobicContact CD1-CB 3.64Å; L30-L436 HydrophobicContact CD1-CD2 3.72Å; L30-L436 HydrophobicContact CD1-CG 3.98Å; L30-L436 HydrophobicContact CG-CD2 4.48Å; Q433-L436 WeakPolarHBondContact O-CB 3.42Å; Q433-L436 PolarHBondContact O-N 3.48Å; A434-L436 PolarHBondContact O-N 3.34Å; A434-L436 VanDerWaalsContact O-N 3.15Å; L436-Y439 PolarHBondContact O-N 3.26Å; L436-M440 VanDerWaalsContact O-CG 3.25Å; L436-M440 WeakPolarHBondContact O-CG 3.47Å; L436-M440 PolarHBondContact O-N 2.91Å; L436-F455 HydrophobicContact CD1-CD1 3.3Å; L436-F455 HydrophobicContact CD1-CE1 3.25Å; L436-F455 HydrophobicContact CD1-CG 4.49Å; L436-F455 HydrophobicContact CD1-CZ 4.41Å; L436-Y459 VanDerWaalsContact CD2-O 3.29Å; L436-Y459 WeakPolarHBondContact CD2-O 3.48Å; L436-P461 HydrophobicContact CD1-CB 4.26Å; L436-P461 HydrophobicContact CD2-CB 4.21Å; L436-P461 HydrophobicContact CG-CB 4.43Å
437F89.6Confident92.2Very high1 Ų127.9 Ų27.90%0.00415%0.15CC..Hα-helixtrans-70.5-36.4179.1-148.6-133000112.8L25 L30 Y35 L98 L102 A434 Y439 M440 K441 L465L25-F437 HydrophobicContact CB-CE1 4.32Å; L30-F437 HydrophobicContact CD1-CB 3.99Å; L30-F437 HydrophobicContact CD2-CB 4.21Å; L30-F437 HydrophobicContact CD2-CD2 3.45Å; L30-F437 VanDerWaalsContact CD2-CD2 3.45Å; L30-F437 HydrophobicContact CD2-CE2 3.88Å; L30-F437 HydrophobicContact CD2-CG 4.09Å; Y35-F437 HydrophobicContact CE1-CE2 4.29Å; L98-F437 HydrophobicContact CD1-CE1 3.85Å; L98-F437 HydrophobicContact CD1-CE2 3.82Å; L98-F437 HydrophobicContact CD1-CZ 3.14Å; L98-F437 HydrophobicContact CD2-CD1 4.29Å; L98-F437 HydrophobicContact CD2-CE1 3.56Å; L98-F437 HydrophobicContact CD2-CE2 4.38Å; L98-F437 HydrophobicContact CD2-CZ 3.68Å; L98-F437 HydrophobicContact CG-CE1 4.34Å; L98-F437 HydrophobicContact CG-CZ 4.05Å; L102-F437 HydrophobicContact CD2-CZ 3.86Å; A434-F437 PolarHBondContact O-N 3.02Å; F437-Y439 VanDerWaalsContact C-N 3.29Å; F437-Y439 PolarHBondContact O-N 3.43Å; F437-M440 PolarHBondContact O-N 3.5Å; F437-K441 WeakPolarHBondContact O-CG 3.48Å; F437-K441 PolarHBondContact O-N 3.32Å; F437-K441 VanDerWaalsContact O-N 3.09Å; F437-L465 HydrophobicContact CD2-CD1 4.38Å; F437-L465 HydrophobicContact CE2-CD1 4.16Å
438S92.8Very high91.4Very high35 Ų3532.3 Ų32.325%0.24518%0.181CC..Hα-helixtrans-59.9-41.5173.8-62.40000111.6A434 G435A434-S438 PolarHBondContact O-N 3.27Å; G435-S438 PolarHBondContact O-N 2.88Å
439Y95.2Very high90.9Very high1 Ų132.6 Ų32.60%0.00419%0.192CC..Hα-helixtrans-68.1-47.3174.9170.1-123.9000112.5G435 L436 F437 K441 T442 H453 F455 K513 A515 F540 L567 V569G435-Y439 WeakPolarHBondContact O-CB 3.29Å; G435-Y439 PolarHBondContact O-N 2.93Å; L436-Y439 PolarHBondContact O-N 3.26Å; F437-Y439 VanDerWaalsContact C-N 3.29Å; F437-Y439 PolarHBondContact O-N 3.43Å; Y439-K441 PolarHBondContact O-N 2.93Å; Y439-T442 PolarHBondContact O-N 3.15Å; Y439-T442 PolarHBondContact O-OG1 2.89Å; Y439-H453 AromaticContact CZ-ND1 3.62Å; Y439-H453 PolarHBondContact OH-CE1 2.84Å; Y439-H453 PolarHBondContact OH-ND1 3.35Å; Y439-F455 AromaticContact CD1-CE1 3.81Å; Y439-F455 HydrophobicContact CD1-CE1 3.81Å; Y439-F455 AromaticContact CD1-CZ 3.99Å; Y439-F455 HydrophobicContact CD1-CZ 3.99Å; Y439-F455 AromaticContact CE1-CE1 3.8Å; Y439-F455 HydrophobicContact CE1-CE1 3.8Å; Y439-F455 AromaticContact CE1-CZ 3.63Å; Y439-F455 HydrophobicContact CE1-CZ 3.63Å; Y439-K513 HydrophobicContact CE2-CD 4.37Å; Y439-K513 VanDerWaalsContact OH-CB 3.27Å; Y439-K513 WeakPolarHBondContact OH-CB 3.32Å; Y439-K513 WeakPolarHBondContact OH-CD 3.5Å; Y439-A515 HydrophobicContact CD1-CB 4.37Å; Y439-A515 HydrophobicContact CE1-CB 4.14Å; Y439-F540 HydrophobicContact CD2-CD2 4.33Å; Y439-F540 HydrophobicContact CD2-CE1 4.33Å; Y439-F540 AromaticContact CD2-CE2 3.59Å; Y439-F540 HydrophobicContact CD2-CE2 3.59Å; Y439-F540 AromaticContact CD2-CZ 3.61Å; Y439-F540 HydrophobicContact CD2-CZ 3.61Å; Y439-F540 HydrophobicContact CE2-CE2 4.44Å; Y439-F540 HydrophobicContact CG-CD2 4.45Å; Y439-F540 HydrophobicContact CG-CE2 4.15Å; Y439-F540 HydrophobicContact CG-CZ 4.35Å; Y439-L567 HydrophobicContact CD1-CD2 4.4Å; Y439-L567 HydrophobicContact CG-CD2 4.43Å; Y439-V569 HydrophobicContact CD1-CG2 4.1Å; Y439-V569 HydrophobicContact CD2-CG1 4.38Å; Y439-V569 HydrophobicContact CD2-CG2 3.74Å; Y439-V569 HydrophobicContact CE1-CG1 4.49Å; Y439-V569 HydrophobicContact CE1-CG2 4.21Å; Y439-V569 HydrophobicContact CE2-CB 4.26Å; Y439-V569 HydrophobicContact CE2-CG1 3.66Å; Y439-V569 HydrophobicContact CE2-CG2 3.85Å; Y439-V569 HydrophobicContact CG-CG2 3.84Å
440M92.7Very high90.5Very high1 Ų134.2 Ų34.21%0.00520%0.203CC..Hα-helixtrans-60.8-32.2-178.5-66.9-65.9-67.200112.6L436 F437 T442 I443 F455 P461 P462 L465 L466 L484L436-M440 VanDerWaalsContact O-CG 3.25Å; L436-M440 WeakPolarHBondContact O-CG 3.47Å; L436-M440 PolarHBondContact O-N 2.91Å; F437-M440 PolarHBondContact O-N 3.5Å; M440-T442 PolarHBondContact O-N 3.43Å; M440-I443 HydrophobicContact CE-CD1 3.85Å; M440-I443 WeakPolarHBondContact O-CB 3.4Å; M440-I443 WeakPolarHBondContact O-CG1 3.38Å; M440-I443 PolarHBondContact O-N 3.37Å; M440-I443 HydrophobicContact SD-CD1 3.62Å; M440-F455 HydrophobicContact SD-CE1 4.1Å; M440-F455 HydrophobicContact SD-CE2 4.23Å; M440-F455 HydrophobicContact SD-CZ 3.4Å; M440-F455 WeakPolarHBondContact SD-CZ 3.19Å; M440-P461 HydrophobicContact CE-CB 4.34Å; M440-P461 HydrophobicContact SD-CB 4.16Å; M440-P462 WeakPolarHBondContact CE-O 3.3Å; M440-L465 HydrophobicContact CB-CD1 3.55Å; M440-L465 HydrophobicContact CE-CB 3.62Å; M440-L465 HydrophobicContact CE-CD1 3.98Å; M440-L465 HydrophobicContact CE-CG 4.38Å; M440-L465 HydrophobicContact CG-CD1 4.14Å; M440-L466 HydrophobicContact CE-CD2 4.44Å; M440-L484 HydrophobicContact CE-CD1 4.36Å
441K91.8Very high90.3Very high62 Ų6231.9 Ų31.927%0.2720%0.195SC..Hα-helixtrans-63.3-26.4173.9-75.7173-179.9177.80113.5S95 L98 F437 Y439 I443S95-K441 PolarHBondContact N-O 2.96Å; L98-K441 HydrophobicContact CD2-CD 4.04Å; L98-K441 HydrophobicContact CD2-CG 3.74Å; F437-K441 WeakPolarHBondContact O-CG 3.48Å; F437-K441 PolarHBondContact O-N 3.32Å; F437-K441 VanDerWaalsContact O-N 3.09Å; Y439-K441 PolarHBondContact O-N 2.93Å; K441-I443 VanDerWaalsContact C-N 3.33Å
442T93.4Very high90.2Very high76 Ų7629.6 Ų29.647%0.46618%0.183SC..THydrogen-bonded Turntrans-87.3-1.7-179.269.80000113.6Y439 M440 P444 F540Y439-T442 PolarHBondContact O-N 3.15Å; Y439-T442 PolarHBondContact O-OG1 2.89Å; M440-T442 PolarHBondContact O-N 3.43Å; T442-P444 WeakPolarHBondContact O-CD 3.32Å; T442-F540 HydrophobicContact CG2-CE1 3.92Å
443I92.9Very high90.2Very high4 Ų429.6 Ų29.62%0.02118%0.183CC..  trans-65.7120177.4-62.5-179.8000108.7G94 M440 K441 L466 K482G94-I443 PolarHBondContact N-O 3.46Å; M440-I443 HydrophobicContact CE-CD1 3.85Å; M440-I443 WeakPolarHBondContact O-CB 3.4Å; M440-I443 WeakPolarHBondContact O-CG1 3.38Å; M440-I443 PolarHBondContact O-N 3.37Å; M440-I443 HydrophobicContact SD-CD1 3.62Å; K441-I443 VanDerWaalsContact C-N 3.33Å; I443-L466 HydrophobicContact CD1-CD2 3.61Å; I443-L466 HydrophobicContact CG2-CD2 4.21Å; I443-K482 HydrophobicContact CG2-CD 4.38Å
444P91.7Very high90.3Very high63 Ų6329.6 Ų29.641%0.40918%0.183SC..  trans-71.5158.8-176.831-36.2000111.6T442 V447 K482T442-P444 WeakPolarHBondContact O-CD 3.32Å; P444-V447 HydrophobicContact CG-CG1 3.76Å; P444-K482 PolarHBondContact O-NZ 2.84Å
445S87.8Confident90.4Very high34 Ų3429.6 Ų29.624%0.23818%0.183CC..SBendtrans-64.9-52.1178.670.90000111D91 F92 K482D91-S445 VanDerWaalsContact CG-OG 3.3Å; D91-S445 WeakPolarHBondContact OD1-CB 3.37Å; D91-S445 PolarHBondContact OD1-OG 3.36Å; D91-S445 VanDerWaalsContact OD2-CB 3.29Å; D91-S445 WeakPolarHBondContact OD2-CB 3.42Å; D91-S445 PolarHBondContact OD2-OG 2.86Å; F92-S445 VanDerWaalsContact C-CB 3.46Å; F92-S445 WeakPolarHBondContact O-CA 3.06Å; S445-K482 VanDerWaalsContact O-CE 3.23Å; S445-K482 WeakPolarHBondContact O-CE 3.49Å; S445-K482 PolarHBondContact O-NZ 3.25Å
446N84.2Confident90.4Very high105 Ų10529.6 Ų29.656%0.56118%0.183SC*.SBendtrans-107.8140.2172.7-79-40.7000111.6D91D91-N446 PolarHBondContact OD1-OD1 3.27Å; D91-N446 VanDerWaalsContact OD2-CG 3.28Å; D91-N446 PolarHBondContact OD2-ND2 2.78Å
447V83.3Confident90.4Very high21 Ų2133 Ų3313%0.12720%0.196CC..  trans-119.2144172.7-67.60000109.8P444 V451 S480 K482P444-V447 HydrophobicContact CG-CG1 3.76Å; V447-V451 HydrophobicContact CB-CG2 3.8Å; V447-V451 HydrophobicContact CG1-CG2 3.92Å; V447-V451 HydrophobicContact CG2-CG2 4.08Å; V447-S480 WeakPolarHBondContact O-CB 3.35Å; V447-K482 HydrophobicContact CG1-CD 4.3Å; V447-K482 HydrophobicContact CG1-CG 4.27Å; V447-K482 HydrophobicContact CG2-CD 4.37Å; V447-K482 HydrophobicContact CG2-CG 3.67Å
448T80.2Confident90.6Very high133 Ų13333.3 Ų33.382%0.81620%0.198SC*.SBendtrans-82.6116.1169.647.40000109.2
449G82.2Confident90.5Very high34 Ų3434.3 Ų34.335%0.35120%0.197SC..EExtended strand (participates in β ladder)trans76.6-160.3-178.200000114.2Q479 S480 C481G449-Q479 WeakPolarHBondContact CA-O 3.26Å; G449-Q479 PolarHBondContact N-O 3.23Å; G449-S480 WeakPolarHBondContact O-CA 3.41Å; G449-C481 PolarHBondContact O-N 2.95Å; G449-C481 VanDerWaalsContact O-N 3.16Å
450C85.1Confident90.3Very high34 Ų3435.8 Ų35.823%0.2320%0.204CC..EExtended strand (participates in β ladder)trans-95122.7-177.2-58.90000111C481 F508 G510 I511C450-C481 CarbonylContact C-O 3.45Å; C450-C481 WeakPolarHBondContact CA-O 3.41Å; C450-C481 HydrophobicContact CB-CB 3.82Å; C450-C481 WeakPolarHBondContact SG-CB 3.35Å; C450-F508 HydrophobicContact CB-CE2 3.8Å; C450-F508 HydrophobicContact CB-CZ 4.47Å; C450-G510 WeakPolarHBondContact O-CA 3.32Å; C450-I511 PolarHBondContact O-N 3.02Å
451V90.6Very high90.3Very high9 Ų935.8 Ų35.86%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-115.5118.2175.8-172.70000109.5V447 C481 K482 S483 I511 K513V447-V451 HydrophobicContact CB-CG2 3.8Å; V447-V451 HydrophobicContact CG1-CG2 3.92Å; V447-V451 HydrophobicContact CG2-CG2 4.08Å; V451-C481 PolarHBondContact N-O 3.48Å; V451-K482 WeakPolarHBondContact O-CA 3.32Å; V451-S483 PolarHBondContact O-N 3.07Å; V451-I511 CarbonylContact C-O 3.26Å; V451-I511 VanDerWaalsContact CA-O 3.29Å; V451-I511 WeakPolarHBondContact CA-O 3.41Å; V451-I511 HydrophobicContact CG1-CG2 4.46Å; V451-I511 HydrophobicContact CG2-CB 4.28Å; V451-K513 HydrophobicContact CG1-CG 4.24Å
452T91.8Very high90.4Very high4 Ų432.8 Ų32.83%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-105.6120.7175.2-59.40000109.4V454 S483 I485 L502 I511 L512 K513T452-V454 HydrophobicContact CG2-CG2 4.13Å; T452-S483 WeakPolarHBondContact CA-OG 3.45Å; T452-S483 WeakPolarHBondContact CB-OG 3.48Å; T452-S483 WeakPolarHBondContact CG2-OG 3.5Å; T452-S483 PolarHBondContact OG1-OG 2.89Å; T452-I485 HydrophobicContact CG2-CD1 3.85Å; T452-I485 HydrophobicContact CG2-CG1 4.32Å; T452-L502 HydrophobicContact CG2-CD1 4.17Å; T452-I511 PolarHBondContact N-O 3.48Å; T452-L512 HydrophobicContact CG2-CD1 4.27Å; T452-K513 PolarHBondContact O-N 3.17Å
453H94.4Very high90.4Very high4 Ų432.5 Ų32.52%0.01918%0.182CC..EExtended strand (participates in β ladder)trans-94.6116.8175.7-61.3-98.7000109.5Y439 F455 S483 L484 I485 K513Y439-H453 AromaticContact CZ-ND1 3.62Å; Y439-H453 PolarHBondContact OH-CE1 2.84Å; Y439-H453 PolarHBondContact OH-ND1 3.35Å; H453-F455 HydrophobicContact CB-CD2 4.43Å; H453-F455 HydrophobicContact CB-CE2 3.66Å; H453-F455 HydrophobicContact CB-CZ 4.31Å; H453-S483 PolarHBondContact N-O 2.92Å; H453-L484 CarbonylContact O-C 3.47Å; H453-L484 WeakPolarHBondContact O-CA 3.01Å; H453-I485 PolarHBondContact O-N 2.99Å; H453-K513 CarbonylContact C-O 3.1Å; H453-K513 WeakPolarHBondContact CA-O 3.25Å
454V94.7Very high90.5Very high0 Ų032.3 Ų32.30%018%0.181CC..EExtended strand (participates in β ladder)trans-107.9121.5176.7-179.70000108.8T452 I485 L487 L495 L512 K513 L514 A515T452-V454 HydrophobicContact CG2-CG2 4.13Å; V454-I485 CarbonylContact C-O 3.51Å; V454-I485 WeakPolarHBondContact CA-O 3.27Å; V454-I485 HydrophobicContact CG2-CB 4.26Å; V454-I485 HydrophobicContact CG2-CD1 4.4Å; V454-L487 HydrophobicContact CG1-CD1 3.6Å; V454-L487 HydrophobicContact CG1-CG 4.02Å; V454-L495 HydrophobicContact CG1-CD1 4.19Å; V454-L512 HydrophobicContact CB-CD1 4.41Å; V454-L512 HydrophobicContact CG2-CD1 3.47Å; V454-L512 VanDerWaalsContact CG2-CD1 3.47Å; V454-K513 PolarHBondContact N-O 3.38Å; V454-L514 HydrophobicContact CB-CD1 4.02Å; V454-L514 HydrophobicContact CG1-CD1 3.8Å; V454-L514 CarbonylContact O-C 3.5Å; V454-L514 WeakPolarHBondContact O-CA 3.22Å; V454-A515 PolarHBondContact O-N 3.37Å
455F95.5Very high90.5Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-104.3122.5177.5-68.3-90000109.3L436 Y439 M440 H453 P461 L484 I485 L487 A515L436-F455 HydrophobicContact CD1-CD1 3.3Å; L436-F455 HydrophobicContact CD1-CE1 3.25Å; L436-F455 HydrophobicContact CD1-CG 4.49Å; L436-F455 HydrophobicContact CD1-CZ 4.41Å; Y439-F455 AromaticContact CD1-CE1 3.81Å; Y439-F455 HydrophobicContact CD1-CE1 3.81Å; Y439-F455 AromaticContact CD1-CZ 3.99Å; Y439-F455 HydrophobicContact CD1-CZ 3.99Å; Y439-F455 AromaticContact CE1-CE1 3.8Å; Y439-F455 HydrophobicContact CE1-CE1 3.8Å; Y439-F455 AromaticContact CE1-CZ 3.63Å; Y439-F455 HydrophobicContact CE1-CZ 3.63Å; M440-F455 HydrophobicContact SD-CE1 4.1Å; M440-F455 HydrophobicContact SD-CE2 4.23Å; M440-F455 HydrophobicContact SD-CZ 3.4Å; M440-F455 WeakPolarHBondContact SD-CZ 3.19Å; H453-F455 HydrophobicContact CB-CD2 4.43Å; H453-F455 HydrophobicContact CB-CE2 3.66Å; H453-F455 HydrophobicContact CB-CZ 4.31Å; F455-P461 HydrophobicContact CB-CG 4.34Å; F455-P461 HydrophobicContact CD1-CG 4Å; F455-P461 HydrophobicContact CD2-CG 3.54Å; F455-P461 HydrophobicContact CE1-CB 4.35Å; F455-P461 HydrophobicContact CE1-CG 4.18Å; F455-P461 HydrophobicContact CE2-CB 4.41Å; F455-P461 HydrophobicContact CE2-CG 3.72Å; F455-P461 HydrophobicContact CG-CG 3.67Å; F455-P461 HydrophobicContact CZ-CB 4.29Å; F455-P461 HydrophobicContact CZ-CG 4.04Å; F455-L484 HydrophobicContact CD2-CD1 4.03Å; F455-L484 HydrophobicContact CD2-CD2 4.21Å; F455-L484 HydrophobicContact CD2-CG 3.86Å; F455-L484 HydrophobicContact CE2-CD1 3.52Å; F455-L484 HydrophobicContact CE2-CG 3.76Å; F455-L484 HydrophobicContact CZ-CD1 4.41Å; F455-I485 PolarHBondContact N-O 3.48Å; F455-L487 VanDerWaalsContact O-CB 3.29Å; F455-L487 WeakPolarHBondContact O-CB 3.43Å; F455-L487 PolarHBondContact O-N 2.93Å; F455-A515 HydrophobicContact CD1-CB 3.68Å; F455-A515 HydrophobicContact CE1-CB 3.79Å; F455-A515 HydrophobicContact CG-CB 4.43Å
456F95Very high90.7Very high0 Ų028 Ų280%015%0.151CC..  trans-126.7125.8-175.4178.5-112.4000110.4T458 L487 S490 V492 L495 L514 A515 Y516 P517 I520 L523F456-T458 PolarHBondContact O-N 2.89Å; F456-L487 HydrophobicContact CD2-CB 4.07Å; F456-L487 HydrophobicContact CD2-CD1 4.05Å; F456-S490 WeakPolarHBondContact CE2-O 3.49Å; F456-V492 HydrophobicContact CZ-CG2 4.14Å; F456-L495 HydrophobicContact CD1-CD2 3.98Å; F456-L495 HydrophobicContact CD2-CB 4.15Å; F456-L495 HydrophobicContact CD2-CD1 4.47Å; F456-L495 HydrophobicContact CD2-CD2 4.25Å; F456-L495 HydrophobicContact CE1-CD2 4.06Å; F456-L495 HydrophobicContact CE2-CB 4.02Å; F456-L495 HydrophobicContact CE2-CD2 4.33Å; F456-L495 HydrophobicContact CG-CD1 4.47Å; F456-L495 HydrophobicContact CG-CD2 4.07Å; F456-L495 HydrophobicContact CZ-CD2 4.25Å; F456-L514 HydrophobicContact CB-CD1 4.08Å; F456-A515 PolarHBondContact N-O 2.98Å; F456-Y516 WeakPolarHBondContact O-CA 3.25Å; F456-P517 VanDerWaalsContact O-CD 3.26Å; F456-P517 WeakPolarHBondContact O-CD 3.26Å; F456-I520 HydrophobicContact CD1-CD1 3.85Å; F456-I520 HydrophobicContact CE1-CD1 3.68Å; F456-L523 HydrophobicContact CE1-CD2 4.33Å
457R93.2Very high91.1Very high71 Ų7123.9 Ų23.927%0.26813%0.13SC..SBendtrans55.634.6-178-66.2-174.5172.1-165.24.6114.2G488 P517 D548R457-G488 WeakPolarHBondContact CA-O 3.28Å; R457-G488 PolarHBondContact N-O 2.93Å; R457-P517 HydrophobicContact CB-CG 4.31Å; R457-P517 WeakPolarHBondContact O-CG 3.33Å; R457-D548 WeakPolarHBondContact CB-OD2 3.39Å; R457-D548 WeakPolarHBondContact CD-OD2 3.37Å; R457-D548 IonicContact CZ-OD1 3.63Å; R457-D548 IonicContact NE-OD1 3.97Å; R457-D548 IonicContact NH1-OD1 3.96Å; R457-D548 PolarHBondContact NH1-OD1 2.93Å
458T93.1Very high91.4Very high9 Ų924.1 Ų24.16%0.05513%0.131CC..SBendtrans-118.4168.4171.561.50000109.9F456 P517 L567F456-T458 PolarHBondContact O-N 2.89Å; T458-P517 HydrophobicContact CG2-CG 4.25Å; T458-L567 HydrophobicContact CG2-CD1 3.7Å
459Y91.4Very high91.8Very high55 Ų5520 Ų2022%0.21611%0.106CC..PPolyproline II helixtrans-60.9149.6163-78.84.4000110.9L30 H432 Q433 L436 P461 E547L30-Y459 VanDerWaalsContact O-CD2 3.22Å; L30-Y459 WeakPolarHBondContact O-CD2 3.26Å; H432-Y459 AromaticContact CE1-CE2 3.96Å; H432-Y459 AromaticContact CE1-CZ 3.75Å; Q433-Y459 HydrophobicContact CB-CD2 4.46Å; Q433-Y459 HydrophobicContact CG-CD1 4.23Å; Q433-Y459 HydrophobicContact CG-CD2 3.99Å; Q433-Y459 HydrophobicContact CG-CE2 4.35Å; Q433-Y459 HydrophobicContact CG-CG 3.97Å; L436-Y459 VanDerWaalsContact CD2-O 3.29Å; L436-Y459 WeakPolarHBondContact CD2-O 3.48Å; Y459-P461 VanDerWaalsContact O-CD 3.3Å; Y459-P461 WeakPolarHBondContact O-CD 3.42Å; Y459-E547 HydrophobicContact CE1-CG 4.48Å; Y459-E547 WeakPolarHBondContact CE1-OE1 3.44Å; Y459-E547 PolarHBondContact OH-OE1 3.42Å
460M91.9Very high91.9Very high33 Ų3322.5 Ų22.516%0.16311%0.111CC..PPolyproline II helixtrans-61.2120.5178.8-175.3-170.8163.800109.4F36 L52 D486F36-M460 HydrophobicContact CD1-CE 4.19Å; F36-M460 HydrophobicContact CD1-SD 4.37Å; F36-M460 HydrophobicContact CD2-SD 4.3Å; F36-M460 HydrophobicContact CE1-CE 3.33Å; F36-M460 HydrophobicContact CE1-CG 4.43Å; F36-M460 HydrophobicContact CE1-SD 3.78Å; F36-M460 HydrophobicContact CE2-CB 3.9Å; F36-M460 HydrophobicContact CE2-CE 4.3Å; F36-M460 HydrophobicContact CE2-CG 3.86Å; F36-M460 WeakPolarHBondContact CE2-O 3.34Å; F36-M460 HydrophobicContact CE2-SD 3.71Å; F36-M460 HydrophobicContact CZ-CB 4.12Å; F36-M460 HydrophobicContact CZ-CE 3.4Å; F36-M460 VanDerWaalsContact CZ-CE 3.4Å; F36-M460 HydrophobicContact CZ-CG 3.58Å; F36-M460 HydrophobicContact CZ-SD 3.42Å; F36-M460 WeakPolarHBondContact CZ-SD 3.29Å; L52-M460 HydrophobicContact CB-CE 3.85Å; L52-M460 HydrophobicContact CD2-CE 3.2Å; L52-M460 HydrophobicContact CD2-SD 3.57Å; L52-M460 VanDerWaalsContact CD2-SD 3.57Å; L52-M460 HydrophobicContact CG-CE 4.06Å; M460-D486 WeakPolarHBondContact CB-OD2 3.33Å; M460-D486 HydrophobicContact CG-CB 4.23Å; M460-D486 VanDerWaalsContact CG-OD2 3.27Å; M460-D486 WeakPolarHBondContact CG-OD2 3.32Å
461P92.9Very high91.6Very high0 Ų027.5 Ų27.50%013%0.131CC..PPolyproline II helixtrans-76.7144.817730.9-36.7000112L436 M440 F455 Y459 L484L436-P461 HydrophobicContact CD1-CB 4.26Å; L436-P461 HydrophobicContact CD2-CB 4.21Å; L436-P461 HydrophobicContact CG-CB 4.43Å; M440-P461 HydrophobicContact CE-CB 4.34Å; M440-P461 HydrophobicContact SD-CB 4.16Å; F455-P461 HydrophobicContact CB-CG 4.34Å; F455-P461 HydrophobicContact CD1-CG 4Å; F455-P461 HydrophobicContact CD2-CG 3.54Å; F455-P461 HydrophobicContact CE1-CB 4.35Å; F455-P461 HydrophobicContact CE1-CG 4.18Å; F455-P461 HydrophobicContact CE2-CB 4.41Å; F455-P461 HydrophobicContact CE2-CG 3.72Å; F455-P461 HydrophobicContact CG-CG 3.67Å; F455-P461 HydrophobicContact CZ-CB 4.29Å; F455-P461 HydrophobicContact CZ-CG 4.04Å; Y459-P461 VanDerWaalsContact O-CD 3.3Å; Y459-P461 WeakPolarHBondContact O-CD 3.42Å; P461-L484 HydrophobicContact CB-CD1 4.29Å; P461-L484 HydrophobicContact CG-CD1 3.64Å; P461-L484 HydrophobicContact CG-CD2 3.92Å; P461-L484 HydrophobicContact CG-CG 4.25Å
462P93.8Very high90.5Very high0 Ų033 Ų330%015%0.154CC..PPolyproline II helixtrans-66.5136.5172.727.5-33.2000110.9Y35 E40 M440 F464 L465Y35-P462 HydrophobicContact CD1-CB 4.18Å; Y35-P462 HydrophobicContact CD1-CG 4.12Å; Y35-P462 HydrophobicContact CE1-CG 4.43Å; Y35-P462 HydrophobicContact CG-CB 4.21Å; Y35-P462 HydrophobicContact CG-CG 4.3Å; E40-P462 WeakPolarHBondContact OE2-CA 3.43Å; E40-P462 WeakPolarHBondContact OE2-CB 3.46Å; M440-P462 WeakPolarHBondContact CE-O 3.3Å; P462-F464 HydrophobicContact CB-CD1 3.7Å; P462-F464 HydrophobicContact CB-CE1 3.48Å; P462-F464 VanDerWaalsContact CB-CE1 3.48Å; P462-F464 HydrophobicContact CB-CZ 4.36Å; P462-F464 HydrophobicContact CG-CE1 4.04Å; P462-F464 HydrophobicContact CG-CZ 4.49Å; P462-L465 HydrophobicContact CG-CD1 3.75Å; P462-L465 HydrophobicContact CG-CG 4.23Å
463R93.6Very high89Confident69 Ų6936.1 Ų36.126%0.2618%0.176SC..SBendtrans-85.6-22.6-174.8-51.7-176.8173.9-168.1-3.2112.6E40 L465 L466E40-R463 WeakPolarHBondContact OE1-CB 3.28Å; E40-R463 PolarHBondContact OE1-N 3.3Å; E40-R463 VanDerWaalsContact OE1-N 3.13Å; E40-R463 PolarHBondContact OE2-N 3.25Å; R463-L465 PolarHBondContact O-N 2.89Å; R463-L466 WeakPolarHBondContact O-CB 3.43Å; R463-L466 PolarHBondContact O-N 3.4Å
464F93.2Very high86.9Confident1 Ų140.1 Ų40.10%0.00421%0.205CC..G310 helixtrans-55.5-26.417974.5-104000113.2Y35 I39 E40 A43 L49 V51 M97 I101 P462 L466 N467Y35-F464 HydrophobicContact CD1-CE1 4.11Å; I39-F464 HydrophobicContact CG2-CD1 4.41Å; I39-F464 HydrophobicContact CG2-CE1 3.77Å; I39-F464 HydrophobicContact CG2-CZ 4.13Å; E40-F464 VanDerWaalsContact OE2-CD1 3.22Å; E40-F464 WeakPolarHBondContact OE2-CD1 3.41Å; E40-F464 PolarHBondContact OE2-N 2.88Å; A43-F464 HydrophobicContact CB-CB 3.48Å; A43-F464 VanDerWaalsContact CB-CB 3.48Å; A43-F464 HydrophobicContact CB-CD1 4.33Å; A43-F464 HydrophobicContact CB-CG 3.95Å; L49-F464 HydrophobicContact CD1-CB 4.19Å; V51-F464 HydrophobicContact CG1-CB 4.14Å; M97-F464 HydrophobicContact CB-CD2 4.28Å; I101-F464 HydrophobicContact CB-CD2 4.26Å; I101-F464 HydrophobicContact CB-CE2 4.03Å; I101-F464 HydrophobicContact CD1-CB 4.14Å; I101-F464 HydrophobicContact CD1-CD2 3.38Å; I101-F464 HydrophobicContact CD1-CE2 4.01Å; I101-F464 HydrophobicContact CD1-CG 3.97Å; I101-F464 HydrophobicContact CG1-CD2 4.42Å; I101-F464 HydrophobicContact CG2-CD2 4.21Å; I101-F464 HydrophobicContact CG2-CE1 4.46Å; I101-F464 HydrophobicContact CG2-CE2 4Å; I101-F464 HydrophobicContact CG2-CZ 4.16Å; P462-F464 HydrophobicContact CB-CD1 3.7Å; P462-F464 HydrophobicContact CB-CE1 3.48Å; P462-F464 VanDerWaalsContact CB-CE1 3.48Å; P462-F464 HydrophobicContact CB-CZ 4.36Å; P462-F464 HydrophobicContact CG-CE1 4.04Å; P462-F464 HydrophobicContact CG-CZ 4.49Å; F464-L466 PolarHBondContact O-N 3.29Å; F464-N467 PolarHBondContact O-N 3.14Å; F464-N467 VanDerWaalsContact O-N 3.17Å
465L93Very high84.5Confident1 Ų146.7 Ų46.71%0.00524%0.235CC..G310 helixtrans-66.8-16.4177.3-65.6178.6000113.8G94 M97 L98 F437 M440 P462 R463 N467G94-L465 WeakPolarHBondContact CA-O 3.39Å; G94-L465 VanDerWaalsContact O-CD2 3.31Å; G94-L465 WeakPolarHBondContact O-CD2 3.49Å; M97-L465 HydrophobicContact CB-CD2 4.28Å; L98-L465 HydrophobicContact CB-CD2 3.68Å; L98-L465 HydrophobicContact CD1-CD2 4.32Å; F437-L465 HydrophobicContact CD2-CD1 4.38Å; F437-L465 HydrophobicContact CE2-CD1 4.16Å; M440-L465 HydrophobicContact CB-CD1 3.55Å; M440-L465 HydrophobicContact CE-CB 3.62Å; M440-L465 HydrophobicContact CE-CD1 3.98Å; M440-L465 HydrophobicContact CE-CG 4.38Å; M440-L465 HydrophobicContact CG-CD1 4.14Å; P462-L465 HydrophobicContact CG-CD1 3.75Å; P462-L465 HydrophobicContact CG-CG 4.23Å; R463-L465 PolarHBondContact O-N 2.89Å; L465-N467 VanDerWaalsContact C-N 3.31Å
466L92.2Very high82Confident5 Ų556.9 Ų56.93%0.02628%0.275CS..G310 helixtrans-76.9-18.4174.1-65.1-172.8000113.4M440 I443 R463 F464 V468 K482 L484M440-L466 HydrophobicContact CE-CD2 4.44Å; I443-L466 HydrophobicContact CD1-CD2 3.61Å; I443-L466 HydrophobicContact CG2-CD2 4.21Å; R463-L466 WeakPolarHBondContact O-CB 3.43Å; R463-L466 PolarHBondContact O-N 3.4Å; F464-L466 PolarHBondContact O-N 3.29Å; L466-V468 HydrophobicContact CB-CG2 3.85Å; L466-K482 WeakPolarHBondContact O-CD 3.36Å; L466-K482 PolarHBondContact O-NZ 3.07Å; L466-L484 HydrophobicContact CD1-CB 3.66Å; L466-L484 HydrophobicContact CD1-CD1 4.23Å
467N91.2Very high79.5Confident19 Ų1962 Ų6210%0.10231%0.309CS..  trans51.551.9-173.4-170.739.5000112.5L49 T90 F92 M97 F464 L465 P469L49-N467 WeakPolarHBondContact CD2-OD1 3.32Å; T90-N467 PolarHBondContact O-ND2 3.39Å; F92-N467 HydrophobicContact CB-CB 4.41Å; F92-N467 PolarHBondContact N-ND2 3.01Å; M97-N467 HydrophobicContact CG-CB 3.85Å; M97-N467 HydrophobicContact SD-CB 4.01Å; F464-N467 PolarHBondContact O-N 3.14Å; F464-N467 VanDerWaalsContact O-N 3.17Å; L465-N467 VanDerWaalsContact C-N 3.31Å; N467-P469 WeakPolarHBondContact O-CD 3.36Å
468V89.9Confident77.1Confident25 Ų2561.4 Ų61.415%0.15232%0.315CS..  trans-95.9116.7176.2178.90000108.6L49 D50 L466 K482L49-V468 CarbonylContact C-O 3.6Å; L49-V468 WeakPolarHBondContact CA-O 3.29Å; D50-V468 HydrophobicContact CB-CB 4.33Å; D50-V468 HydrophobicContact CB-CG1 4.1Å; D50-V468 PolarHBondContact N-O 3.3Å; L466-V468 HydrophobicContact CB-CG2 3.85Å; V468-K482 HydrophobicContact CG2-CB 3.97Å
469P88.6Confident75.1Confident46 Ų4670 Ų7030%0.29936%0.355SS..BIsolated β-bridgetrans-64.8140.4174.4-21.933.7000111.7N467 E471 K472N467-P469 WeakPolarHBondContact O-CD 3.36Å; P469-E471 VanDerWaalsContact C-N 3.26Å; P469-E471 PolarHBondContact O-N 2.84Å; P469-K472 HydrophobicContact CB-CG 4.44Å; P469-K472 HydrophobicContact CG-CD 4.19Å; P469-K472 PolarHBondContact O-N 2.98Å; P469-K472 VanDerWaalsContact O-N 3.08Å
470L85.4Confident73.5Confident87 Ų8769.5 Ų69.546%0.45536%0.359SS..Hα-helixtrans-56.2-38.9-179.4-175.664.3000112.7N48 D50 K472 S473N48-L470 PolarHBondContact O-N 2.8Å; D50-L470 HydrophobicContact CB-CD1 4.49Å; L470-K472 VanDerWaalsContact C-N 3.27Å; L470-K472 PolarHBondContact O-N 3.22Å; L470-S473 WeakPolarHBondContact O-CB 3.36Å; L470-S473 PolarHBondContact O-N 3.07Å
471E78.4Confident72.8Confident139 Ų13969.9 Ų69.965%0.6537%0.365SS*.Hα-helixtrans-64.1-27.3179.8-64.5174.2-168.600113.8P469P469-E471 VanDerWaalsContact C-N 3.26Å; P469-E471 PolarHBondContact O-N 2.84Å
472K67.2Low72.6Confident125 Ų12571.2 Ų71.254%0.54337%0.37SS..Hα-helixtrans-85.8-10.8179.9-69.3-173.4-179.8178.60113.3P469 L470P469-K472 HydrophobicContact CB-CG 4.44Å; P469-K472 HydrophobicContact CG-CD 4.19Å; P469-K472 PolarHBondContact O-N 2.98Å; P469-K472 VanDerWaalsContact O-N 3.08Å; L470-K472 VanDerWaalsContact C-N 3.27Å; L470-K472 PolarHBondContact O-N 3.22Å
473S60.1Low72.4Confident70 Ų7073 Ų7349%0.4938%0.383SS..Hα-helixtrans-74-31.3180-166.50000112D50 L470D50-S473 VanDerWaalsContact OD2-CB 3.27Å; D50-S473 WeakPolarHBondContact OD2-CB 3.35Å; D50-S473 PolarHBondContact OD2-OG 2.94Å; L470-S473 WeakPolarHBondContact O-CB 3.36Å; L470-S473 PolarHBondContact O-N 3.07Å
474S51.3Low72.3Confident88 Ų8870.6 Ų70.662%0.61538%0.375SS*.Hα-helixtrans-99.4-18.7-173.6530000115.3
475H43.6Very low72.3Confident138 Ų13872.7 Ų72.764%0.63939%0.386SS*.SBendtrans-122.4114-172.4-73.4-33.8000111.3
476Y42.1Very low72.4Confident213 Ų21375.1 Ų75.184%0.83540%0.399SS*.  trans33.6119.3165.6-75.1-90.7000116.2S478Y476-S478 VanDerWaalsContact C-N 3.32Å; Y476-S478 PolarHBondContact O-N 3.15Å
477P43.7Very low72.5Confident109 Ų10975.9 Ų75.971%0.70840%0.403SS*.  trans-58.196.3177.924.9-32000110.2
478S43.3Very low72.5Confident57 Ų5775.8 Ų75.840%0.39941%0.407SS..  trans-61.6165.9164.665.60000108.8Y476 S480Y476-S478 VanDerWaalsContact C-N 3.32Å; Y476-S478 PolarHBondContact O-N 3.15Å; S478-S480 CarbonylContact O-C 3.43Å; S478-S480 PolarHBondContact O-N 2.85Å
479Q49.5Very low72.4Confident190 Ų19078.3 Ų78.389%0.88844%0.438SS*.SBendtrans-50.1-12.6-166.8-69.2171.4-14.300117.2G449G449-Q479 WeakPolarHBondContact CA-O 3.26Å; G449-Q479 PolarHBondContact N-O 3.23Å
480S58.2Low72.6Confident44 Ų4477.5 Ų77.531%0.30843%0.433SS..EExtended strand (participates in β ladder)trans-131.9127.3169.756.50000110.6V447 G449 S478V447-S480 WeakPolarHBondContact O-CB 3.35Å; G449-S480 WeakPolarHBondContact O-CA 3.41Å; S478-S480 CarbonylContact O-C 3.43Å; S478-S480 PolarHBondContact O-N 2.85Å
481C78.6Confident72.8Confident42 Ų4277.1 Ų77.128%0.28443%0.432SS..EExtended strand (participates in β ladder)trans-128.4128.6176.41790000108.3G449 C450 V451G449-C481 PolarHBondContact O-N 2.95Å; G449-C481 VanDerWaalsContact O-N 3.16Å; C450-C481 CarbonylContact C-O 3.45Å; C450-C481 WeakPolarHBondContact CA-O 3.41Å; C450-C481 HydrophobicContact CB-CB 3.82Å; C450-C481 WeakPolarHBondContact SG-CB 3.35Å; V451-C481 PolarHBondContact N-O 3.48Å
482K87.7Confident73.4Confident27 Ų2772 Ų7212%0.11741%0.41CS..EExtended strand (participates in β ladder)trans-114.8132.5167.3-62.9-176-130.1170.40107.8I443 P444 S445 V447 V451 L466 V468I443-K482 HydrophobicContact CG2-CD 4.38Å; P444-K482 PolarHBondContact O-NZ 2.84Å; S445-K482 VanDerWaalsContact O-CE 3.23Å; S445-K482 WeakPolarHBondContact O-CE 3.49Å; S445-K482 PolarHBondContact O-NZ 3.25Å; V447-K482 HydrophobicContact CG1-CD 4.3Å; V447-K482 HydrophobicContact CG1-CG 4.27Å; V447-K482 HydrophobicContact CG2-CD 4.37Å; V447-K482 HydrophobicContact CG2-CG 3.67Å; V451-K482 WeakPolarHBondContact O-CA 3.32Å; L466-K482 WeakPolarHBondContact O-CD 3.36Å; L466-K482 PolarHBondContact O-NZ 3.07Å; V468-K482 HydrophobicContact CG2-CB 3.97Å
483S89Confident74.6Confident38 Ų3870.6 Ų70.627%0.26641%0.412SS..EExtended strand (participates in β ladder)trans-137.6156.8175.8680000110.8V451 T452 H453V451-S483 PolarHBondContact O-N 3.07Å; T452-S483 WeakPolarHBondContact CA-OG 3.45Å; T452-S483 WeakPolarHBondContact CB-OG 3.48Å; T452-S483 WeakPolarHBondContact CG2-OG 3.5Å; T452-S483 PolarHBondContact OG1-OG 2.89Å; H453-S483 PolarHBondContact N-O 2.92Å
484L92.3Very high76.1Confident19 Ų1970.2 Ų70.210%0.09941%0.406CS..EExtended strand (participates in β ladder)trans-129129.3179.4-167.8144.5000110.1M440 H453 F455 P461 L466 D486M440-L484 HydrophobicContact CE-CD1 4.36Å; H453-L484 CarbonylContact O-C 3.47Å; H453-L484 WeakPolarHBondContact O-CA 3.01Å; F455-L484 HydrophobicContact CD2-CD1 4.03Å; F455-L484 HydrophobicContact CD2-CD2 4.21Å; F455-L484 HydrophobicContact CD2-CG 3.86Å; F455-L484 HydrophobicContact CE2-CD1 3.52Å; F455-L484 HydrophobicContact CE2-CG 3.76Å; F455-L484 HydrophobicContact CZ-CD1 4.41Å; P461-L484 HydrophobicContact CB-CD1 4.29Å; P461-L484 HydrophobicContact CG-CD1 3.64Å; P461-L484 HydrophobicContact CG-CD2 3.92Å; P461-L484 HydrophobicContact CG-CG 4.25Å; L466-L484 HydrophobicContact CD1-CB 3.66Å; L466-L484 HydrophobicContact CD1-CD1 4.23Å; L484-D486 HydrophobicContact CD2-CB 4.19Å
485I93.5Very high78.1Confident45 Ų4566 Ų6623%0.23138%0.377CS..EExtended strand (participates in β ladder)trans-120.5116.4170.8-59.8169.2000107.1T452 H453 V454 F455 L487 T498 L502T452-I485 HydrophobicContact CG2-CD1 3.85Å; T452-I485 HydrophobicContact CG2-CG1 4.32Å; H453-I485 PolarHBondContact O-N 2.99Å; V454-I485 CarbonylContact C-O 3.51Å; V454-I485 WeakPolarHBondContact CA-O 3.27Å; V454-I485 HydrophobicContact CG2-CB 4.26Å; V454-I485 HydrophobicContact CG2-CD1 4.4Å; F455-I485 PolarHBondContact N-O 3.48Å; I485-L487 HydrophobicContact CG2-CD2 3.92Å; I485-L487 HydrophobicContact CG2-CG 4.27Å; I485-T498 HydrophobicContact CD1-CG2 4.23Å; I485-T498 HydrophobicContact CG2-CG2 4.07Å; I485-L502 HydrophobicContact CD1-CD1 3.71Å; I485-L502 HydrophobicContact CD1-CD2 3.96Å; I485-L502 HydrophobicContact CD1-CG 4.27Å
486D94.3Very high80.4Confident51 Ų5161.3 Ų61.327%0.27336%0.356SS..EExtended strand (participates in β ladder)trans-94.8123.1170.917937.2000109M460 L484 G488M460-D486 WeakPolarHBondContact CB-OD2 3.33Å; M460-D486 HydrophobicContact CG-CB 4.23Å; M460-D486 VanDerWaalsContact CG-OD2 3.27Å; M460-D486 WeakPolarHBondContact CG-OD2 3.32Å; L484-D486 HydrophobicContact CD2-CB 4.19Å; D486-G488 PolarHBondContact OD1-N 3.24Å
487L94.7Very high82.7Confident21 Ų2157.4 Ų57.411%0.1135%0.346CS..  trans-100.7-3.1175.7-63.8-178.3000112V454 F455 F456 I485 G489 S490 V494 L495 T498V454-L487 HydrophobicContact CG1-CD1 3.6Å; V454-L487 HydrophobicContact CG1-CG 4.02Å; F455-L487 VanDerWaalsContact O-CB 3.29Å; F455-L487 WeakPolarHBondContact O-CB 3.43Å; F455-L487 PolarHBondContact O-N 2.93Å; F456-L487 HydrophobicContact CD2-CB 4.07Å; F456-L487 HydrophobicContact CD2-CD1 4.05Å; I485-L487 HydrophobicContact CG2-CD2 3.92Å; I485-L487 HydrophobicContact CG2-CG 4.27Å; L487-G489 PolarHBondContact O-N 2.95Å; L487-S490 WeakPolarHBondContact CB-OG 3.38Å; L487-S490 WeakPolarHBondContact O-CB 3.38Å; L487-S490 PolarHBondContact O-N 2.9Å; L487-S490 PolarHBondContact O-OG 3.09Å; L487-V494 HydrophobicContact CD2-CG1 4.24Å; L487-L495 HydrophobicContact CD1-CB 4.05Å; L487-L495 HydrophobicContact CD1-CD1 3.48Å; L487-L495 VanDerWaalsContact CD1-CD1 3.48Å; L487-L495 HydrophobicContact CD1-CG 4.38Å; L487-T498 HydrophobicContact CD2-CG2 4.24Å
488G90.7Very high85Confident18 Ų1853.5 Ų53.519%0.18632%0.32CS..THydrogen-bonded Turntrans45.8-138.7-18000000112.6R457 D486 S490R457-G488 WeakPolarHBondContact CA-O 3.28Å; R457-G488 PolarHBondContact N-O 2.93Å; D486-G488 PolarHBondContact OD1-N 3.24Å; G488-S490 PolarHBondContact O-N 3.43Å
489G88.4Confident87.2Confident78 Ų7850.8 Ų50.880%0.80430%0.301SS*.THydrogen-bonded Turntrans-79.821.5176.700000115.7L487L487-G489 PolarHBondContact O-N 2.95Å
490S91.9Very high89Confident28 Ų2845.1 Ų45.120%0.19628%0.277CS..  trans-65.2169.3-177.765.80000113.3F456 L487 G488F456-S490 WeakPolarHBondContact CE2-O 3.49Å; L487-S490 WeakPolarHBondContact CB-OG 3.38Å; L487-S490 WeakPolarHBondContact O-CB 3.38Å; L487-S490 PolarHBondContact O-N 2.9Å; L487-S490 PolarHBondContact O-OG 3.09Å; G488-S490 PolarHBondContact O-N 3.43Å
491N91.2Very high90.4Very high79 Ų7946.8 Ų46.842%0.42228%0.28SS..  trans-87.7167.9-179.769.518.1000112.2T493 V494 L495N491-T493 PolarHBondContact ND2-OG1 3.39Å; N491-T493 VanDerWaalsContact ND2-OG1 3.08Å; N491-T493 PolarHBondContact O-N 3.4Å; N491-T493 PolarHBondContact OD1-N 3.18Å; N491-T493 PolarHBondContact OD1-OG1 3.41Å; N491-V494 PolarHBondContact O-N 2.84Å; N491-V494 WeakPolarHBondContact OD1-CG2 3.27Å; N491-V494 PolarHBondContact OD1-N 2.9Å; N491-L495 PolarHBondContact O-N 2.97Å
492V90.8Very high90.6Very high33 Ų3345.7 Ų45.720%0.227%0.271CS..Hα-helixtrans-62.2-27.5-179.9178.70000112.4F456 L495 N496 V526F456-V492 HydrophobicContact CZ-CG2 4.14Å; V492-L495 WeakPolarHBondContact O-CB 3.37Å; V492-L495 PolarHBondContact O-N 3.46Å; V492-N496 WeakPolarHBondContact O-CB 3.36Å; V492-N496 PolarHBondContact O-N 2.91Å; V492-V526 HydrophobicContact CG1-CG2 3.39Å
493T90.8Very high90.4Very high95 Ų9547.6 Ų47.658%0.58328%0.279SS*.Hα-helixtrans-67.1-39.2177.356.30000112.4N491 N496 H497N491-T493 PolarHBondContact ND2-OG1 3.39Å; N491-T493 VanDerWaalsContact ND2-OG1 3.08Å; N491-T493 PolarHBondContact O-N 3.4Å; N491-T493 PolarHBondContact OD1-N 3.18Å; N491-T493 PolarHBondContact OD1-OG1 3.41Å; T493-N496 PolarHBondContact O-N 3.42Å; T493-H497 WeakPolarHBondContact O-CB 3.35Å; T493-H497 PolarHBondContact O-N 3.01Å
494V92.5Very high89.9Confident61 Ų6150.6 Ų50.637%0.3730%0.296SS..Hα-helixtrans-65.7-44.4174.5173.70000109.8L487 N491 N496 H497 T498L487-V494 HydrophobicContact CD2-CG1 4.24Å; N491-V494 PolarHBondContact O-N 2.84Å; N491-V494 WeakPolarHBondContact OD1-CG2 3.27Å; N491-V494 PolarHBondContact OD1-N 2.9Å; V494-N496 PolarHBondContact O-N 2.95Å; V494-H497 PolarHBondContact O-N 2.84Å; V494-T498 WeakPolarHBondContact O-CB 3.37Å; V494-T498 PolarHBondContact O-N 2.87Å; V494-T498 PolarHBondContact O-OG1 3.39Å
495L93.1Very high88.5Confident0 Ų058.3 Ų58.30%033%0.325CS..Hα-helixtrans-54.7-50.8174.2174.464.9000112.3V454 F456 L487 N491 V492 H497 T498 I499 L514 W531V454-L495 HydrophobicContact CG1-CD1 4.19Å; F456-L495 HydrophobicContact CD1-CD2 3.98Å; F456-L495 HydrophobicContact CD2-CB 4.15Å; F456-L495 HydrophobicContact CD2-CD1 4.47Å; F456-L495 HydrophobicContact CD2-CD2 4.25Å; F456-L495 HydrophobicContact CE1-CD2 4.06Å; F456-L495 HydrophobicContact CE2-CB 4.02Å; F456-L495 HydrophobicContact CE2-CD2 4.33Å; F456-L495 HydrophobicContact CG-CD1 4.47Å; F456-L495 HydrophobicContact CG-CD2 4.07Å; F456-L495 HydrophobicContact CZ-CD2 4.25Å; L487-L495 HydrophobicContact CD1-CB 4.05Å; L487-L495 HydrophobicContact CD1-CD1 3.48Å; L487-L495 VanDerWaalsContact CD1-CD1 3.48Å; L487-L495 HydrophobicContact CD1-CG 4.38Å; N491-L495 PolarHBondContact O-N 2.97Å; V492-L495 WeakPolarHBondContact O-CB 3.37Å; V492-L495 PolarHBondContact O-N 3.46Å; L495-H497 VanDerWaalsContact C-N 3.35Å; L495-H497 PolarHBondContact O-N 3.14Å; L495-T498 PolarHBondContact O-N 2.99Å; L495-I499 HydrophobicContact CD1-CD1 3.68Å; L495-I499 HydrophobicContact CD1-CG1 4.25Å; L495-I499 HydrophobicContact CG-CD1 4.09Å; L495-I499 WeakPolarHBondContact O-CG1 3.4Å; L495-I499 PolarHBondContact O-N 3.37Å; L495-L514 HydrophobicContact CD1-CD1 3.73Å; L495-L514 HydrophobicContact CD1-CD2 4.47Å; L495-L514 HydrophobicContact CD2-CD2 4.45Å; L495-W531 HydrophobicContact CD2-CH2 3.82Å; L495-W531 HydrophobicContact CD2-CZ2 4.44Å; L495-W531 HydrophobicContact CG-CH2 4.01Å; L495-W531 HydrophobicContact CG-CZ2 4.27Å
496N91.6Very high86.9Confident39 Ų3961.7 Ų61.721%0.20934%0.34CS..Hα-helixtrans-58.5-45.7176.6-91.5-33000111.8V492 T493 V494 N500 W531V492-N496 WeakPolarHBondContact O-CB 3.36Å; V492-N496 PolarHBondContact O-N 2.91Å; T493-N496 PolarHBondContact O-N 3.42Å; V494-N496 PolarHBondContact O-N 2.95Å; N496-N500 WeakPolarHBondContact O-CB 3.26Å; N496-N500 VanDerWaalsContact O-CG 3.26Å; N496-N500 PolarHBondContact O-N 2.9Å; N496-N500 PolarHBondContact O-ND2 3.28Å; N496-W531 WeakPolarHBondContact OD1-CZ2 3.35Å; N496-W531 PolarHBondContact OD1-NE1 3.33Å
497H91.1Very high85.2Confident131 Ų13166.5 Ų66.561%0.60637%0.365SS*.Hα-helixtrans-63.4-45.7179.3-175.771.7000111.7T493 V494 L495 I499 N500 H501T493-H497 WeakPolarHBondContact O-CB 3.35Å; T493-H497 PolarHBondContact O-N 3.01Å; V494-H497 PolarHBondContact O-N 2.84Å; L495-H497 VanDerWaalsContact C-N 3.35Å; L495-H497 PolarHBondContact O-N 3.14Å; H497-I499 PolarHBondContact O-N 3.46Å; H497-N500 PolarHBondContact O-N 3.21Å; H497-H501 VanDerWaalsContact O-CB 3.22Å; H497-H501 WeakPolarHBondContact O-CB 3.44Å; H497-H501 PolarHBondContact O-N 3.37Å
498T91Very high83.8Confident27 Ų2766.6 Ų66.617%0.16637%0.365CS..Hα-helixtrans-59.6-47.9177.3-61.20000111.6I485 L487 V494 L495 H501 L502I485-T498 HydrophobicContact CD1-CG2 4.23Å; I485-T498 HydrophobicContact CG2-CG2 4.07Å; L487-T498 HydrophobicContact CD2-CG2 4.24Å; V494-T498 WeakPolarHBondContact O-CB 3.37Å; V494-T498 PolarHBondContact O-N 2.87Å; V494-T498 PolarHBondContact O-OG1 3.39Å; L495-T498 PolarHBondContact O-N 2.99Å; T498-H501 PolarHBondContact O-N 3.42Å; T498-L502 HydrophobicContact CG2-CD1 4.43Å; T498-L502 WeakPolarHBondContact O-CG 3.31Å; T498-L502 PolarHBondContact O-N 2.7Å
499I89.5Confident82.8Confident1 Ų171.2 Ų71.21%0.00539%0.394CS..Hα-helixtrans-64.7-46.3179.6-67.2173000110.6L495 H497 H501 L502 K503 L512 W531L495-I499 HydrophobicContact CD1-CD1 3.68Å; L495-I499 HydrophobicContact CD1-CG1 4.25Å; L495-I499 HydrophobicContact CG-CD1 4.09Å; L495-I499 WeakPolarHBondContact O-CG1 3.4Å; L495-I499 PolarHBondContact O-N 3.37Å; H497-I499 PolarHBondContact O-N 3.46Å; I499-H501 VanDerWaalsContact C-N 3.31Å; I499-H501 PolarHBondContact O-N 3.08Å; I499-L502 PolarHBondContact O-N 3.29Å; I499-K503 WeakPolarHBondContact O-CG 3.36Å; I499-K503 PolarHBondContact O-N 3.46Å; I499-K503 VanDerWaalsContact O-N 3.08Å; I499-L512 HydrophobicContact CD1-CD2 4.17Å; I499-L512 HydrophobicContact CG1-CD2 4.08Å; I499-L512 HydrophobicContact CG2-CD2 4.03Å; I499-W531 HydrophobicContact CD1-CD2 3.71Å; I499-W531 HydrophobicContact CD1-CE3 3.72Å; I499-W531 HydrophobicContact CD1-CG 4.41Å; I499-W531 HydrophobicContact CD1-CH2 3.59Å; I499-W531 HydrophobicContact CD1-CZ2 3.6Å; I499-W531 HydrophobicContact CD1-CZ3 3.67Å; I499-W531 HydrophobicContact CG2-CB 3.92Å; I499-W531 HydrophobicContact CG2-CD2 4.07Å; I499-W531 HydrophobicContact CG2-CG 3.63Å
500N88.7Confident82.5Confident70 Ų7067.9 Ų67.937%0.37436%0.36SS..Hα-helixtrans-61.6-40.2177.2-73.2-28.4000112.1N496 H497 L502 K503 T504N496-N500 WeakPolarHBondContact O-CB 3.26Å; N496-N500 VanDerWaalsContact O-CG 3.26Å; N496-N500 PolarHBondContact O-N 2.9Å; N496-N500 PolarHBondContact O-ND2 3.28Å; H497-N500 PolarHBondContact O-N 3.21Å; N500-L502 PolarHBondContact O-N 3.1Å; N500-K503 WeakPolarHBondContact O-CB 3.46Å; N500-K503 PolarHBondContact O-N 2.92Å; N500-T504 WeakPolarHBondContact O-CG2 3.48Å; N500-T504 PolarHBondContact O-N 2.92Å; N500-T504 PolarHBondContact O-OG1 3.36Å
501H86.3Confident82.4Confident80 Ų8069.2 Ų69.237%0.3737%0.365SS..Hα-helixtrans-61.1-43.6175.4-176.9-79.8000111.7H497 T498 I499 K503 T504 Y505H497-H501 VanDerWaalsContact O-CB 3.22Å; H497-H501 WeakPolarHBondContact O-CB 3.44Å; H497-H501 PolarHBondContact O-N 3.37Å; T498-H501 PolarHBondContact O-N 3.42Å; I499-H501 VanDerWaalsContact C-N 3.31Å; I499-H501 PolarHBondContact O-N 3.08Å; H501-K503 VanDerWaalsContact C-N 3.28Å; H501-K503 PolarHBondContact O-N 2.84Å; H501-T504 PolarHBondContact O-N 3.41Å; H501-T504 PolarHBondContact O-OG1 3.46Å; H501-Y505 AromaticContact CD2-CD2 3.49Å; H501-Y505 VanDerWaalsContact CD2-CD2 3.49Å; H501-Y505 WeakPolarHBondContact CD2-CD2 3.36Å; H501-Y505 AromaticContact CD2-CE2 3.87Å; H501-Y505 AromaticContact CE1-CD2 3.78Å; H501-Y505 AromaticContact CE1-CG 3.84Å; H501-Y505 AromaticContact NE2-CD2 3.27Å; H501-Y505 VanDerWaalsContact NE2-CD2 3.27Å; H501-Y505 WeakPolarHBondContact NE2-CD2 3.2Å; H501-Y505 AromaticContact NE2-CE2 3.62Å; H501-Y505 AromaticContact NE2-CG 3.73Å; H501-Y505 WeakPolarHBondContact O-CB 3.26Å; H501-Y505 PolarHBondContact O-N 2.93Å
502L84.3Confident82.5Confident18 Ų1865.6 Ų65.69%0.09435%0.345CS..Hα-helixtrans-60.2-38.6175-69.7169.9000112.1T452 I485 T498 I499 N500 F508 L512T452-L502 HydrophobicContact CG2-CD1 4.17Å; I485-L502 HydrophobicContact CD1-CD1 3.71Å; I485-L502 HydrophobicContact CD1-CD2 3.96Å; I485-L502 HydrophobicContact CD1-CG 4.27Å; T498-L502 HydrophobicContact CG2-CD1 4.43Å; T498-L502 WeakPolarHBondContact O-CG 3.31Å; T498-L502 PolarHBondContact O-N 2.7Å; I499-L502 PolarHBondContact O-N 3.29Å; N500-L502 PolarHBondContact O-N 3.1Å; L502-F508 WeakPolarHBondContact O-CB 3.5Å; L502-L512 HydrophobicContact CD1-CD1 4.38Å
503K82.4Confident82.6Confident67 Ų6765.8 Ų65.829%0.29134%0.343SS..Hα-helixtrans-64.5-48.2175.9-65.3-177.561.81540112.3I499 N500 H501 S530 W531 V574I499-K503 WeakPolarHBondContact O-CG 3.36Å; I499-K503 PolarHBondContact O-N 3.46Å; I499-K503 VanDerWaalsContact O-N 3.08Å; N500-K503 WeakPolarHBondContact O-CB 3.46Å; N500-K503 PolarHBondContact O-N 2.92Å; H501-K503 VanDerWaalsContact C-N 3.28Å; H501-K503 PolarHBondContact O-N 2.84Å; K503-S530 PolarHBondContact NZ-O 2.95Å; K503-W531 PolarHBondContact NZ-O 2.86Å; K503-V574 HydrophobicContact CD-CG1 4.25Å; K503-V574 HydrophobicContact CG-CG1 3.69Å
504T78Confident82.8Confident102 Ų10261.2 Ų61.263%0.62632%0.316SS*.Hα-helixtrans-81.6-40.4-170.355.90000113.6N500 H501N500-T504 WeakPolarHBondContact O-CG2 3.48Å; N500-T504 PolarHBondContact O-N 2.92Å; N500-T504 PolarHBondContact O-OG1 3.36Å; H501-T504 PolarHBondContact O-N 3.41Å; H501-T504 PolarHBondContact O-OG1 3.46Å
505Y64.2Low83Confident180 Ų18058.4 Ų58.471%0.70630%0.298SS*.Hα-helixtrans-84.8-27.5-171.6-100.7-87.8000114H501H501-Y505 AromaticContact CD2-CD2 3.49Å; H501-Y505 VanDerWaalsContact CD2-CD2 3.49Å; H501-Y505 WeakPolarHBondContact CD2-CD2 3.36Å; H501-Y505 AromaticContact CD2-CE2 3.87Å; H501-Y505 AromaticContact CE1-CD2 3.78Å; H501-Y505 AromaticContact CE1-CG 3.84Å; H501-Y505 AromaticContact NE2-CD2 3.27Å; H501-Y505 VanDerWaalsContact NE2-CD2 3.27Å; H501-Y505 WeakPolarHBondContact NE2-CD2 3.2Å; H501-Y505 AromaticContact NE2-CE2 3.62Å; H501-Y505 AromaticContact NE2-CG 3.73Å; H501-Y505 WeakPolarHBondContact O-CB 3.26Å; H501-Y505 PolarHBondContact O-N 2.93Å
506Q59.1Low83.1Confident116 Ų11658.8 Ų58.854%0.54230%0.3SS..SBendtrans-101.6-1-170.9-72.9-172.4-16.600114.6F508Q506-F508 HydrophobicContact CB-CB 3.94Å; Q506-F508 PolarHBondContact O-N 3.05Å; Q506-F508 VanDerWaalsContact O-N 3.11Å
507N59.1Low83.2Confident152 Ų15257 Ų5781%0.81329%0.29SS*.  trans43.341.2-162.6-80.1-18.9000110.2S509N507-S509 PolarHBondContact O-N 3.27Å
508F66.1Low83.3Confident24 Ų2450.8 Ų50.811%0.10526%0.262CS..  trans-69.6100.8-165.3-179.1-98.1000110.4C450 L502 Q506 G510 V574C450-F508 HydrophobicContact CB-CE2 3.8Å; C450-F508 HydrophobicContact CB-CZ 4.47Å; L502-F508 WeakPolarHBondContact O-CB 3.5Å; Q506-F508 HydrophobicContact CB-CB 3.94Å; Q506-F508 PolarHBondContact O-N 3.05Å; Q506-F508 VanDerWaalsContact O-N 3.11Å; F508-G510 VanDerWaalsContact CZ-CA 3.46Å; F508-V574 HydrophobicContact CD1-CB 3.92Å; F508-V574 HydrophobicContact CD1-CG1 4.15Å; F508-V574 HydrophobicContact CD1-CG2 4.14Å; F508-V574 HydrophobicContact CE1-CB 4.25Å; F508-V574 HydrophobicContact CE1-CG2 4.16Å
509S68.7Low83.2Confident114 Ų11449.8 Ų49.880%0.79726%0.256SS*.  trans-94.878.6164.3650000108.8N507N507-S509 PolarHBondContact O-N 3.27Å
510G82.1Confident83.1Confident9 Ų951.1 Ų51.19%0.09326%0.263CS..SBendtrans-148.9-173.5-173.700000114.2C450 F508 V574C450-G510 WeakPolarHBondContact O-CA 3.32Å; F508-G510 VanDerWaalsContact CZ-CA 3.46Å; G510-V574 PolarHBondContact O-N 3.04Å
511I90.1Very high82.7Confident56 Ų5651.6 Ų51.629%0.28726%0.263SS..EExtended strand (participates in β ladder)trans-102.7123.2179.5-60.9175.6000108.6C450 V451 T452 K513 T571C450-I511 PolarHBondContact O-N 3.02Å; V451-I511 CarbonylContact C-O 3.26Å; V451-I511 VanDerWaalsContact CA-O 3.29Å; V451-I511 WeakPolarHBondContact CA-O 3.41Å; V451-I511 HydrophobicContact CG1-CG2 4.46Å; V451-I511 HydrophobicContact CG2-CB 4.28Å; T452-I511 PolarHBondContact N-O 3.48Å; I511-K513 HydrophobicContact CG2-CG 4.27Å; I511-T571 HydrophobicContact CG2-CG2 3.48Å; I511-T571 VanDerWaalsContact CG2-CG2 3.48Å
512L92.1Very high82.2Confident3 Ų352.6 Ų52.62%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-99.3124.4171.3176.269.9000108.9T452 V454 I499 L502 T571 I572 V574T452-L512 HydrophobicContact CG2-CD1 4.27Å; V454-L512 HydrophobicContact CB-CD1 4.41Å; V454-L512 HydrophobicContact CG2-CD1 3.47Å; V454-L512 VanDerWaalsContact CG2-CD1 3.47Å; I499-L512 HydrophobicContact CD1-CD2 4.17Å; I499-L512 HydrophobicContact CG1-CD2 4.08Å; I499-L512 HydrophobicContact CG2-CD2 4.03Å; L502-L512 HydrophobicContact CD1-CD1 4.38Å; L512-T571 WeakPolarHBondContact O-CA 3.44Å; L512-I572 HydrophobicContact CB-CB 4.23Å; L512-I572 HydrophobicContact CD2-CB 4.45Å; L512-I572 HydrophobicContact CD2-CD1 4.07Å; L512-I572 PolarHBondContact N-O 3.25Å; L512-I572 PolarHBondContact O-N 3.17Å; L512-V574 HydrophobicContact CB-CG2 4.03Å
513K94.3Very high81.9Confident36 Ų3652.7 Ų52.716%0.15728%0.277CS..EExtended strand (participates in β ladder)trans-109.1108171.5-69.2-158.7173-158.80110Y439 V451 T452 H453 V454 I511 E538 V569 L570Y439-K513 HydrophobicContact CE2-CD 4.37Å; Y439-K513 VanDerWaalsContact OH-CB 3.27Å; Y439-K513 WeakPolarHBondContact OH-CB 3.32Å; Y439-K513 WeakPolarHBondContact OH-CD 3.5Å; V451-K513 HydrophobicContact CG1-CG 4.24Å; T452-K513 PolarHBondContact O-N 3.17Å; H453-K513 CarbonylContact C-O 3.1Å; H453-K513 WeakPolarHBondContact CA-O 3.25Å; V454-K513 PolarHBondContact N-O 3.38Å; I511-K513 HydrophobicContact CG2-CG 4.27Å; K513-E538 IonicContact NZ-OE2 3.98Å; K513-E538 PolarHBondContact NZ-OE2 3.34Å; K513-V569 HydrophobicContact CB-CG1 4.16Å; K513-V569 HydrophobicContact CD-CG1 4.32Å; K513-L570 CarbonylContact C-O 3.59Å; K513-L570 VanDerWaalsContact CA-O 3.31Å; K513-L570 WeakPolarHBondContact CA-O 3.26Å
514L95.1Very high81.3Confident0 Ų056.6 Ų56.60%030%0.297CS..EExtended strand (participates in β ladder)trans-95.9111.2178.4176.262.6000110.3V454 F456 L495 Y516 L523 W531 V569 L570V454-L514 HydrophobicContact CB-CD1 4.02Å; V454-L514 HydrophobicContact CG1-CD1 3.8Å; V454-L514 CarbonylContact O-C 3.5Å; V454-L514 WeakPolarHBondContact O-CA 3.22Å; F456-L514 HydrophobicContact CB-CD1 4.08Å; L495-L514 HydrophobicContact CD1-CD1 3.73Å; L495-L514 HydrophobicContact CD1-CD2 4.47Å; L495-L514 HydrophobicContact CD2-CD2 4.45Å; L514-Y516 HydrophobicContact CD2-CD1 4.3Å; L514-Y516 HydrophobicContact CD2-CE1 4.46Å; L514-Y516 HydrophobicContact CG-CD1 3.96Å; L514-Y516 HydrophobicContact CG-CE1 4.43Å; L514-L523 HydrophobicContact CD2-CD1 4.06Å; L514-W531 HydrophobicContact CD2-CH2 4.16Å; L514-W531 HydrophobicContact CD2-CZ3 3.64Å; L514-V569 CarbonylContact O-C 3.59Å; L514-V569 VanDerWaalsContact O-CA 3.31Å; L514-V569 WeakPolarHBondContact O-CA 3.5Å; L514-L570 PolarHBondContact N-O 3.41Å; L514-L570 PolarHBondContact O-N 2.86Å
515A95.9Very high80.7Confident1 Ų159.3 Ų59.31%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-98.8127.2176.100000111.1Y439 V454 F455 F456 L567 R568 V569Y439-A515 HydrophobicContact CD1-CB 4.37Å; Y439-A515 HydrophobicContact CE1-CB 4.14Å; V454-A515 PolarHBondContact O-N 3.37Å; F455-A515 HydrophobicContact CD1-CB 3.68Å; F455-A515 HydrophobicContact CE1-CB 3.79Å; F455-A515 HydrophobicContact CG-CB 4.43Å; F456-A515 PolarHBondContact N-O 2.98Å; A515-L567 HydrophobicContact CB-CD2 4.35Å; A515-R568 CarbonylContact C-O 3.49Å; A515-R568 VanDerWaalsContact CA-O 3.28Å; A515-R568 WeakPolarHBondContact CA-O 3.4Å; A515-V569 HydrophobicContact CB-CG2 4.05Å
516Y95Very high81.3Confident8 Ų851.7 Ų51.73%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-154.7157.3179.463-80.6000112.5F456 L514 I520 L523 L567 R568 L570F456-Y516 WeakPolarHBondContact O-CA 3.25Å; L514-Y516 HydrophobicContact CD2-CD1 4.3Å; L514-Y516 HydrophobicContact CD2-CE1 4.46Å; L514-Y516 HydrophobicContact CG-CD1 3.96Å; L514-Y516 HydrophobicContact CG-CE1 4.43Å; Y516-I520 HydrophobicContact CD2-CD1 3.9Å; Y516-I520 HydrophobicContact CD2-CG1 3.79Å; Y516-I520 HydrophobicContact CG-CD1 4.42Å; Y516-L523 HydrophobicContact CD2-CD2 4.08Å; Y516-L523 HydrophobicContact CD2-CG 4.47Å; Y516-L523 HydrophobicContact CE1-CD1 4.19Å; Y516-L523 HydrophobicContact CE2-CD1 4.4Å; Y516-L523 HydrophobicContact CE2-CD2 4.2Å; Y516-L523 HydrophobicContact CE2-CG 4.11Å; Y516-L523 HydrophobicContact CG-CD2 4.48Å; Y516-L567 WeakPolarHBondContact O-CD1 3.5Å; Y516-R568 HydrophobicContact CD1-CB 4.44Å; Y516-R568 HydrophobicContact CE1-CB 4.01Å; Y516-R568 HydrophobicContact CE2-CB 4.1Å; Y516-R568 PolarHBondContact N-O 2.91Å; Y516-R568 PolarHBondContact O-N 3.48Å; Y516-L570 HydrophobicContact CE1-CD1 3.76Å; Y516-L570 HydrophobicContact CE1-CG 3.85Å
517P94.7Very high82.1Confident1 Ų152.1 Ų52.11%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-61.4138176.6-22.332.9000112.2F456 R457 T458 S519 I520F456-P517 VanDerWaalsContact O-CD 3.26Å; F456-P517 WeakPolarHBondContact O-CD 3.26Å; R457-P517 HydrophobicContact CB-CG 4.31Å; R457-P517 WeakPolarHBondContact O-CG 3.33Å; T458-P517 HydrophobicContact CG2-CG 4.25Å; P517-S519 WeakPolarHBondContact CB-OG 3.24Å; P517-S519 PolarHBondContact O-N 3.46Å; P517-I520 WeakPolarHBondContact O-CG1 3.47Å; P517-I520 PolarHBondContact O-N 3.24Å
518G91.9Very high83.1Confident1 Ų147.6 Ų47.61%0.0126%0.26CS..G310 helixtrans-69.8-12.6176.600000114.5I520 Q521 S563 S566G518-I520 VanDerWaalsContact C-N 3.28Å; G518-I520 PolarHBondContact O-N 2.86Å; G518-Q521 WeakPolarHBondContact O-CB 3.27Å; G518-Q521 PolarHBondContact O-N 2.82Å; G518-S563 WeakPolarHBondContact CA-O 3.48Å; G518-S566 WeakPolarHBondContact CA-O 3.28Å; G518-S566 PolarHBondContact N-O 3.16Å
519S89.5Confident83.7Confident7 Ų750.9 Ų50.95%0.04929%0.286CS..G310 helixtrans-67-25.5176.450.80000113.6P517 Q521 D548 Q564P517-S519 WeakPolarHBondContact CB-OG 3.24Å; P517-S519 PolarHBondContact O-N 3.46Å; S519-Q521 VanDerWaalsContact C-N 3.32Å; S519-D548 WeakPolarHBondContact CB-O 3.08Å; S519-D548 PolarHBondContact OG-O 3.17Å; S519-Q564 PolarHBondContact N-O 3.07Å
520I88.2Confident84.5Confident28 Ų2848.2 Ų48.214%0.14427%0.267CS..G310 helixtrans-92.914.8178.764.7164.2000113.1F456 Y516 P517 G518 P522 L523 D548F456-I520 HydrophobicContact CD1-CD1 3.85Å; F456-I520 HydrophobicContact CE1-CD1 3.68Å; Y516-I520 HydrophobicContact CD2-CD1 3.9Å; Y516-I520 HydrophobicContact CD2-CG1 3.79Å; Y516-I520 HydrophobicContact CG-CD1 4.42Å; P517-I520 WeakPolarHBondContact O-CG1 3.47Å; P517-I520 PolarHBondContact O-N 3.24Å; G518-I520 VanDerWaalsContact C-N 3.28Å; G518-I520 PolarHBondContact O-N 2.86Å; I520-P522 CarbonylContact O-C 3.59Å; I520-P522 VanDerWaalsContact O-C 3.26Å; I520-L523 HydrophobicContact CD1-CD2 3.76Å; I520-L523 HydrophobicContact CG1-CD2 4.35Å; I520-D548 HydrophobicContact CG2-CB 3.68Å; I520-D548 WeakPolarHBondContact CG2-OD1 3.41Å
521Q79.9Confident84.7Confident80 Ų8047.8 Ų47.837%0.37426%0.263SS..  trans-86.3139.6-179.8-170.1-172.51.900111.9G518 S519 S563 R568G518-Q521 WeakPolarHBondContact O-CB 3.27Å; G518-Q521 PolarHBondContact O-N 2.82Å; S519-Q521 VanDerWaalsContact C-N 3.32Å; Q521-S563 PolarHBondContact OE1-OG 3.5Å; Q521-R568 VanDerWaalsContact CD-CZ 3.5Å
522P75Confident84.5Confident102 Ų10245.7 Ų45.766%0.66226%0.255SS*.SBendcis-71.4152.4-730.9-34.7000112.2I520 E524I520-P522 CarbonylContact O-C 3.59Å; I520-P522 VanDerWaalsContact O-C 3.26Å; P522-E524 PolarHBondContact O-N 2.75Å
523L77.7Confident84.3Confident19 Ų1951.6 Ų51.610%0.09929%0.287CS..  trans-60.8103.7172.6-70169.8000108.8F456 L514 Y516 I520 V526 L528 W531F456-L523 HydrophobicContact CE1-CD2 4.33Å; L514-L523 HydrophobicContact CD2-CD1 4.06Å; Y516-L523 HydrophobicContact CD2-CD2 4.08Å; Y516-L523 HydrophobicContact CD2-CG 4.47Å; Y516-L523 HydrophobicContact CE1-CD1 4.19Å; Y516-L523 HydrophobicContact CE2-CD1 4.4Å; Y516-L523 HydrophobicContact CE2-CD2 4.2Å; Y516-L523 HydrophobicContact CE2-CG 4.11Å; Y516-L523 HydrophobicContact CG-CD2 4.48Å; I520-L523 HydrophobicContact CD1-CD2 3.76Å; I520-L523 HydrophobicContact CG1-CD2 4.35Å; L523-V526 HydrophobicContact CB-CB 4.01Å; L523-V526 HydrophobicContact CB-CG2 4.12Å; L523-V526 PolarHBondContact O-N 3.15Å; L523-L528 HydrophobicContact CD1-CD2 4.31Å; L523-W531 HydrophobicContact CD1-CZ3 4.46Å
524E70Confident84Confident150 Ų15052.8 Ų52.870%0.70130%0.297SS*.THydrogen-bonded Turntrans-59.4138.4-177.1-66.4-177.9173.300111.4P522 V526P522-E524 PolarHBondContact O-N 2.75Å; E524-V526 PolarHBondContact O-N 2.99Å; E524-V526 VanDerWaalsContact O-N 3.11Å
525N66.6Low83.7Confident158 Ų15857.5 Ų57.585%0.84533%0.325SS*.THydrogen-bonded Turntrans57.722.3176.9-58.2-37000115.4
526V75.4Confident83.6Confident21 Ų2161.5 Ų61.513%0.12735%0.345CS..  trans-110112.8174.7172.70000110.1V492 L523 E524 L528 W531V492-V526 HydrophobicContact CG1-CG2 3.39Å; L523-V526 HydrophobicContact CB-CB 4.01Å; L523-V526 HydrophobicContact CB-CG2 4.12Å; L523-V526 PolarHBondContact O-N 3.15Å; E524-V526 PolarHBondContact O-N 2.99Å; E524-V526 VanDerWaalsContact O-N 3.11Å; V526-L528 HydrophobicContact CG1-CD2 3.82Å; V526-L528 HydrophobicContact CG1-CG 4.26Å; V526-L528 PolarHBondContact O-N 3.2Å; V526-W531 HydrophobicContact CB-CH2 4.25Å; V526-W531 HydrophobicContact CB-CZ2 4.31Å; V526-W531 HydrophobicContact CG1-CD2 4.22Å; V526-W531 HydrophobicContact CG1-CE3 4.08Å; V526-W531 HydrophobicContact CG1-CH2 3.18Å; V526-W531 HydrophobicContact CG1-CZ2 3.29Å; V526-W531 HydrophobicContact CG1-CZ3 3.58Å; V526-W531 HydrophobicContact CG2-CH2 4.04Å; V526-W531 HydrophobicContact CG2-CZ2 4.03Å
527L76.8Confident83.4Confident125 Ų12563.9 Ų63.965%0.65436%0.363SS*.  trans-79.793.6163.1-83.3150.6000108.5S529 S530L527-S529 PolarHBondContact O-N 2.97Å; L527-S529 VanDerWaalsContact O-N 3.09Å; L527-S530 VanDerWaalsContact O-CB 3.29Å; L527-S530 WeakPolarHBondContact O-CB 3.42Å; L527-S530 PolarHBondContact O-N 2.96Å; L527-S530 PolarHBondContact O-OG 2.93Å
528L80.7Confident83.4Confident56 Ų5666.4 Ų66.429%0.29338%0.375SS..Hα-helixtrans-53.3-32.1177.6-67.3174.5000112.5L523 V526 S530 W531 G532 V534 L570L523-L528 HydrophobicContact CD1-CD2 4.31Å; V526-L528 HydrophobicContact CG1-CD2 3.82Å; V526-L528 HydrophobicContact CG1-CG 4.26Å; V526-L528 PolarHBondContact O-N 3.2Å; L528-S530 PolarHBondContact O-N 3.29Å; L528-W531 HydrophobicContact CD2-CE3 3.56Å; L528-W531 HydrophobicContact CD2-CH2 4.37Å; L528-W531 HydrophobicContact CD2-CZ3 3.41Å; L528-W531 VanDerWaalsContact CD2-CZ3 3.41Å; L528-W531 WeakPolarHBondContact O-CB 3.35Å; L528-W531 PolarHBondContact O-N 2.68Å; L528-G532 PolarHBondContact O-N 2.72Å; L528-V534 HydrophobicContact CB-CG2 4.23Å; L528-V534 HydrophobicContact CD1-CG2 4.4Å; L528-L570 HydrophobicContact CD1-CD1 4.12Å; L528-L570 HydrophobicContact CD2-CD1 4.05Å
529S78.7Confident83.5Confident94 Ų9470.6 Ų70.666%0.65739%0.394SS*.Hα-helixtrans-60.7-26.1174.953.40000113.9L527 W531L527-S529 PolarHBondContact O-N 2.97Å; L527-S529 VanDerWaalsContact O-N 3.09Å; S529-W531 PolarHBondContact O-N 3.3Å
530S84.8Confident83.8Confident57 Ų5771.5 Ų71.540%0.39940%0.397SS..Hα-helixtrans-70.3-23.7175.5720000112.5K503 L527 L528K503-S530 PolarHBondContact NZ-O 2.95Å; L527-S530 VanDerWaalsContact O-CB 3.29Å; L527-S530 WeakPolarHBondContact O-CB 3.42Å; L527-S530 PolarHBondContact O-N 2.96Å; L527-S530 PolarHBondContact O-OG 2.93Å; L528-S530 PolarHBondContact O-N 3.29Å
531W86Confident84.1Confident0 Ų074.5 Ų74.50%041%0.409CS..Hα-helixtrans-87.4-37.6-178-59.5-19.2000112L495 N496 I499 K503 L514 L523 V526 L528 S529 I572L495-W531 HydrophobicContact CD2-CH2 3.82Å; L495-W531 HydrophobicContact CD2-CZ2 4.44Å; L495-W531 HydrophobicContact CG-CH2 4.01Å; L495-W531 HydrophobicContact CG-CZ2 4.27Å; N496-W531 WeakPolarHBondContact OD1-CZ2 3.35Å; N496-W531 PolarHBondContact OD1-NE1 3.33Å; I499-W531 HydrophobicContact CD1-CD2 3.71Å; I499-W531 HydrophobicContact CD1-CE3 3.72Å; I499-W531 HydrophobicContact CD1-CG 4.41Å; I499-W531 HydrophobicContact CD1-CH2 3.59Å; I499-W531 HydrophobicContact CD1-CZ2 3.6Å; I499-W531 HydrophobicContact CD1-CZ3 3.67Å; I499-W531 HydrophobicContact CG2-CB 3.92Å; I499-W531 HydrophobicContact CG2-CD2 4.07Å; I499-W531 HydrophobicContact CG2-CG 3.63Å; K503-W531 PolarHBondContact NZ-O 2.86Å; L514-W531 HydrophobicContact CD2-CH2 4.16Å; L514-W531 HydrophobicContact CD2-CZ3 3.64Å; L523-W531 HydrophobicContact CD1-CZ3 4.46Å; V526-W531 HydrophobicContact CB-CH2 4.25Å; V526-W531 HydrophobicContact CB-CZ2 4.31Å; V526-W531 HydrophobicContact CG1-CD2 4.22Å; V526-W531 HydrophobicContact CG1-CE3 4.08Å; V526-W531 HydrophobicContact CG1-CH2 3.18Å; V526-W531 HydrophobicContact CG1-CZ2 3.29Å; V526-W531 HydrophobicContact CG1-CZ3 3.58Å; V526-W531 HydrophobicContact CG2-CH2 4.04Å; V526-W531 HydrophobicContact CG2-CZ2 4.03Å; L528-W531 HydrophobicContact CD2-CE3 3.56Å; L528-W531 HydrophobicContact CD2-CH2 4.37Å; L528-W531 HydrophobicContact CD2-CZ3 3.41Å; L528-W531 VanDerWaalsContact CD2-CZ3 3.41Å; L528-W531 WeakPolarHBondContact O-CB 3.35Å; L528-W531 PolarHBondContact O-N 2.68Å; S529-W531 PolarHBondContact O-N 3.3Å; W531-I572 HydrophobicContact CB-CG2 4.48Å; W531-I572 HydrophobicContact CE3-CD1 3.88Å; W531-I572 HydrophobicContact CZ3-CD1 4.5Å
532G85.6Confident84.8Confident12 Ų1272 Ų7212%0.12440%0.4CS..  trans159.6-164.3177.900000111.4L528 K573L528-G532 PolarHBondContact O-N 2.72Å; G532-K573 WeakPolarHBondContact CA-O 3.28Å
533N87.5Confident85.7Confident127 Ų12767.2 Ų67.268%0.67937%0.369SS*.EExtended strand (participates in β ladder)trans-85.7120.4176-70.9-38000110.1V535 I572 K573N533-V535 WeakPolarHBondContact O-CG2 3.25Å; N533-V535 PolarHBondContact O-N 2.82Å; N533-V535 VanDerWaalsContact O-N 3.17Å; N533-I572 WeakPolarHBondContact O-CA 3.33Å; N533-K573 PolarHBondContact N-O 3.05Å; N533-K573 PolarHBondContact O-N 3.48Å
534V88.4Confident86.5Confident62 Ų6267.6 Ų67.638%0.37637%0.371SS..EExtended strand (participates in β ladder)trans-71.5108.7170.1-177.60000108L528 L570 I572L528-V534 HydrophobicContact CB-CG2 4.23Å; L528-V534 HydrophobicContact CD1-CG2 4.4Å; V534-L570 HydrophobicContact CG1-CD2 4.19Å; V534-I572 HydrophobicContact CG2-CG1 4.26Å
535V90.1Very high87.5Confident98 Ų9860.6 Ų60.659%0.59434%0.338SS*.EExtended strand (participates in β ladder)trans-89.2-32.1-177.1-174.20000111.1N533 T571 K573N533-V535 WeakPolarHBondContact O-CG2 3.25Å; N533-V535 PolarHBondContact O-N 2.82Å; N533-V535 VanDerWaalsContact O-N 3.17Å; V535-T571 PolarHBondContact N-O 3.29Å; V535-K573 HydrophobicContact CG2-CB 3.64Å
536M92.4Very high88.6Confident86 Ų8657.8 Ų57.842%0.42432%0.321SS..EExtended strand (participates in β ladder)trans-153146.7-175.5-174.7171.655.400110.9E538 T571M536-E538 HydrophobicContact CE-CG 4.11Å; M536-E538 WeakPolarHBondContact CE-OE2 3.17Å; M536-E538 HydrophobicContact CG-CG 3.96Å; M536-E538 HydrophobicContact SD-CG 4.03Å; M536-T571 PolarHBondContact N-O 2.78Å; M536-T571 PolarHBondContact O-N 2.72Å
537S91.6Very high89.1Confident58 Ų5860.9 Ų60.941%0.40634%0.335SS..EExtended strand (participates in β ladder)trans-128.8113172.5173.10000108.6
538E95Very high89.7Confident54 Ų5456.3 Ų56.325%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-102.6153.7178.8-56.2177.882.800110.2K513 M536 F540 R568 V569K513-E538 IonicContact NZ-OE2 3.98Å; K513-E538 PolarHBondContact NZ-OE2 3.34Å; M536-E538 HydrophobicContact CE-CG 4.11Å; M536-E538 WeakPolarHBondContact CE-OE2 3.17Å; M536-E538 HydrophobicContact CG-CG 3.96Å; M536-E538 HydrophobicContact SD-CG 4.03Å; E538-F540 HydrophobicContact CB-CE2 3.74Å; E538-F540 HydrophobicContact CB-CZ 4.22Å; E538-R568 WeakPolarHBondContact O-CA 3.48Å; E538-V569 HydrophobicContact CB-CB 4.37Å; E538-V569 PolarHBondContact N-O 3.13Å; E538-V569 PolarHBondContact O-N 2.97Å
539Q94.2Very high90Very high89 Ų8957.3 Ų57.342%0.41632%0.321SS..EExtended strand (participates in β ladder)trans-129.5129176-66.2-17810.200110.2L567 R568Q539-L567 CarbonylContact C-O 3.58Å; Q539-L567 WeakPolarHBondContact CA-O 3.13Å; Q539-R568 HydrophobicContact CG-CG 4.38Å; Q539-R568 VanDerWaalsContact NE2-CZ 3.29Å
540F95.3Very high90.3Very high25 Ų2553.6 Ų53.611%0.1129%0.294CS..EExtended strand (participates in β ladder)trans-114.898.9178.2-61.2-92.6000109.5Y439 T442 E538 S566 L567 V569Y439-F540 HydrophobicContact CD2-CD2 4.33Å; Y439-F540 HydrophobicContact CD2-CE1 4.33Å; Y439-F540 AromaticContact CD2-CE2 3.59Å; Y439-F540 HydrophobicContact CD2-CE2 3.59Å; Y439-F540 AromaticContact CD2-CZ 3.61Å; Y439-F540 HydrophobicContact CD2-CZ 3.61Å; Y439-F540 HydrophobicContact CE2-CE2 4.44Å; Y439-F540 HydrophobicContact CG-CD2 4.45Å; Y439-F540 HydrophobicContact CG-CE2 4.15Å; Y439-F540 HydrophobicContact CG-CZ 4.35Å; T442-F540 HydrophobicContact CG2-CE1 3.92Å; E538-F540 HydrophobicContact CB-CE2 3.74Å; E538-F540 HydrophobicContact CB-CZ 4.22Å; F540-S566 WeakPolarHBondContact O-CA 3.48Å; F540-L567 HydrophobicContact CB-CB 4.25Å; F540-L567 PolarHBondContact N-O 3.34Å; F540-L567 PolarHBondContact O-N 3.33Å; F540-V569 HydrophobicContact CD2-CG2 3.8Å; F540-V569 HydrophobicContact CE2-CB 4.05Å; F540-V569 HydrophobicContact CE2-CG2 3.6Å
541F93.9Very high90.1Very high92 Ų9257.3 Ų57.340%0.40430%0.303SS..SBendtrans-96.6145176.1178.1-93.1000110.9W561 K562 L565 S566F541-W561 HydrophobicContact CE2-CZ3 4.13Å; F541-W561 HydrophobicContact CZ-CZ3 4.38Å; F541-K562 HydrophobicContact CD2-CG 3.97Å; F541-K562 HydrophobicContact CE2-CG 4.48Å; F541-K562 HydrophobicContact CG-CG 4.39Å; F541-L565 HydrophobicContact CD2-CB 4.25Å; F541-L565 VanDerWaalsContact CD2-O 3.24Å; F541-L565 WeakPolarHBondContact CD2-O 3.46Å; F541-L565 HydrophobicContact CE2-CB 3.94Å; F541-S566 WeakPolarHBondContact CB-OG 3.46Å
542P94.1Very high89.4Confident28 Ų2863.7 Ų63.718%0.18234%0.336CS..  cis-81.1157.4-9.833.8-37.7000113Y430 L431 A434 G435 L565Y430-P542 WeakPolarHBondContact O-CG 3.49Å; L431-P542 HydrophobicContact CD2-CB 3.96Å; L431-P542 HydrophobicContact CD2-CG 4.27Å; A434-P542 CarbonylContact C-O 3.19Å; A434-P542 HydrophobicContact CB-CG 4.34Å; A434-P542 VanDerWaalsContact CB-O 3.29Å; A434-P542 WeakPolarHBondContact CB-O 3.49Å; G435-P542 WeakPolarHBondContact CA-O 3.41Å; G435-P542 PolarHBondContact N-O 2.95Å; P542-L565 CarbonylContact C-O 3.59Å
543H94.7Very high88.6Confident1 Ų173.9 Ų73.91%0.00537%0.371CS..  trans-155.6106.8169.7-173.491000109.9Q433 G435 L565 L567Q433-H543 PolarHBondContact O-ND1 3.22Å; Q433-H543 PolarHBondContact OE1-CE1 3.49Å; Q433-H543 PolarHBondContact OE1-NE2 2.87Å; G435-H543 PolarHBondContact N-ND1 2.63Å; G435-H543 VanDerWaalsContact N-ND1 3.14Å; H543-L565 PolarHBondContact N-O 3.44Å; H543-L565 CarbonylContact O-C 3.49Å; H543-L565 WeakPolarHBondContact O-CA 3.48Å; H543-L567 HydrophobicContact CB-CB 3.98Å
544L93.6Very high87.2Confident26 Ų2671.6 Ų71.614%0.13636%0.356CS..BIsolated β-bridgetrans-106.5111.6176.1177.859.6000109.1F427 L431 H432 Q433 M546 P550 L565F427-L544 HydrophobicContact CD2-CD2 4.12Å; F427-L544 HydrophobicContact CE2-CD2 3.87Å; L431-L544 HydrophobicContact CB-CB 4.28Å; L431-L544 HydrophobicContact CB-CD2 4.25Å; L431-L544 PolarHBondContact O-N 2.82Å; H432-L544 CarbonylContact C-O 3.54Å; H432-L544 VanDerWaalsContact CA-O 3.28Å; H432-L544 WeakPolarHBondContact CA-O 3.41Å; H432-L544 PolarHBondContact CD2-O 3.38Å; Q433-L544 PolarHBondContact N-O 3.34Å; L544-M546 HydrophobicContact CD1-CE 4.48Å; L544-M546 HydrophobicContact CD2-CE 3.77Å; L544-M546 HydrophobicContact CG-CE 4.13Å; L544-P550 HydrophobicContact CD1-CG 3.95Å; L544-L565 HydrophobicContact CD1-CD2 3.98Å
545S91.3Very high85.7Confident3 Ų370.1 Ų70.12%0.02135%0.346CS..  trans-90.3129.9168.8173.10000109Q433 E547 D548 P549Q433-S545 PolarHBondContact NE2-OG 3.15Å; S545-E547 PolarHBondContact OG-N 3.3Å; S545-E547 PolarHBondContact OG-OE2 3.22Å; S545-D548 CarbonylContact O-C 3.59Å; S545-D548 PolarHBondContact OG-N 2.71Å; S545-P549 WeakPolarHBondContact O-CA 3.41Å
546M90.2Very high84.4Confident100 Ų10074.2 Ų74.249%0.49336%0.356SS..SBendtrans-92.5-14172.2-75.8-65.5178.100112.3F427 L544F427-M546 HydrophobicContact CD2-CE 4.32Å; F427-M546 HydrophobicContact CE2-CE 3.38Å; F427-M546 HydrophobicContact CE2-CG 4.11Å; F427-M546 HydrophobicContact CZ-CE 3.93Å; F427-M546 HydrophobicContact CZ-CG 3.86Å; L544-M546 HydrophobicContact CD1-CE 4.48Å; L544-M546 HydrophobicContact CD2-CE 3.77Å; L544-M546 HydrophobicContact CG-CE 4.13Å
547E86.7Confident82.8Confident86 Ų8675.4 Ų75.440%0.40237%0.368SS..SBendtrans-72.6-38.3171.8-54.471.4-156.200110.3H432 Q433 Y459 S545H432-E547 IonicContact CE1-OE1 3.38Å; H432-E547 IonicContact NE2-OE1 3.09Å; Q433-E547 PolarHBondContact NE2-OE2 3Å; Y459-E547 HydrophobicContact CE1-CG 4.48Å; Y459-E547 WeakPolarHBondContact CE1-OE1 3.44Å; Y459-E547 PolarHBondContact OH-OE1 3.42Å; S545-E547 PolarHBondContact OG-N 3.3Å; S545-E547 PolarHBondContact OG-OE2 3.22Å
548D88.3Confident81Confident29 Ų2977.1 Ų77.116%0.15537%0.369CS..SBendtrans-126.775.3173.4-65.3-87.6000109.8R457 S519 I520 S545R457-D548 WeakPolarHBondContact CB-OD2 3.39Å; R457-D548 WeakPolarHBondContact CD-OD2 3.37Å; R457-D548 IonicContact CZ-OD1 3.63Å; R457-D548 IonicContact NE-OD1 3.97Å; R457-D548 IonicContact NH1-OD1 3.96Å; R457-D548 PolarHBondContact NH1-OD1 2.93Å; S519-D548 WeakPolarHBondContact CB-O 3.08Å; S519-D548 PolarHBondContact OG-O 3.17Å; I520-D548 HydrophobicContact CG2-CB 3.68Å; I520-D548 WeakPolarHBondContact CG2-OD1 3.41Å; S545-D548 CarbonylContact O-C 3.59Å; S545-D548 PolarHBondContact OG-N 2.71Å
549P87.5Confident79.5Confident77 Ų7783.9 Ų83.950%0.540%0.401SS..  trans-64.1146.3-174.126.7-34.4000112S545S545-P549 WeakPolarHBondContact O-CA 3.41Å
550P85.9Confident78.6Confident15 Ų1584.3 Ų84.310%0.09741%0.406CS..  trans-65.2146.7176.129.9-36.7000111L544 I552 L555 Q564 L565L544-P550 HydrophobicContact CD1-CG 3.95Å; P550-I552 PolarHBondContact O-N 3.44Å; P550-L555 HydrophobicContact CB-CD1 3.8Å; P550-L555 HydrophobicContact CG-CD1 3.73Å; P550-Q564 HydrophobicContact CB-CB 4.06Å; P550-L565 HydrophobicContact CB-CD2 4.32Å; P550-L565 HydrophobicContact CG-CD2 3.88Å
551F79.1Confident78.1Confident136 Ų13688.5 Ų88.560%0.59642%0.421SS*.  trans-69.7107.5178.1-69.1-82.5000110.9R553 H554 L555F551-R553 PolarHBondContact O-N 2.93Å; F551-R553 VanDerWaalsContact O-N 3.13Å; F551-H554 HydrophobicContact CB-CB 4.39Å; F551-H554 PolarHBondContact O-N 3.4Å; F551-L555 PolarHBondContact O-N 3.3Å
552I71.9Confident77.9Confident134 Ų13489.2 Ų89.269%0.68742%0.424SS*.Hα-helixtrans-55.1-36.7-175.8-59.9172.2000112.5P550 H554 L555P550-I552 PolarHBondContact O-N 3.44Å; I552-H554 PolarHBondContact O-N 3.07Å; I552-L555 PolarHBondContact O-N 3.41Å
553R68.7Low77.6Confident226 Ų22688.3 Ų88.385%0.85342%0.418SS*.Hα-helixtrans-63.7-28178.1-71.9-171.3179.8-157.10.9113.3F551 V557F551-R553 PolarHBondContact O-N 2.93Å; F551-R553 VanDerWaalsContact O-N 3.13Å; R553-V557 WeakPolarHBondContact O-CG2 3.45Å
554H57.6Low77.3Confident79 Ų7989.7 Ų89.737%0.36643%0.425SS..Hα-helixtrans-92.9-19.3-178-68.2-74.2000113.3F551 I552 F556 V557 H558F551-H554 HydrophobicContact CB-CB 4.39Å; F551-H554 PolarHBondContact O-N 3.4Å; I552-H554 PolarHBondContact O-N 3.07Å; H554-F556 PolarHBondContact O-N 3Å; H554-V557 PolarHBondContact O-N 3.3Å; H554-H558 AromaticContact ND1-CE1 3.61Å; H554-H558 AromaticContact ND1-ND1 3.75Å; H554-H558 AromaticContact ND1-NE2 3.94Å; H554-H558 PolarHBondContact O-N 2.77Å
555L57.3Low77.2Confident31 Ų3190 Ų9016%0.16243%0.427CS..Hα-helixtrans-60.2-29.5-175.8-116.1144.2000114.1P550 F551 I552 W561 L565P550-L555 HydrophobicContact CB-CD1 3.8Å; P550-L555 HydrophobicContact CG-CD1 3.73Å; F551-L555 PolarHBondContact O-N 3.3Å; I552-L555 PolarHBondContact O-N 3.41Å; L555-W561 HydrophobicContact CD2-CB 4.22Å; L555-W561 WeakPolarHBondContact O-CB 3.42Å; L555-L565 HydrophobicContact CD2-CD1 4.06Å; L555-L565 HydrophobicContact CD2-CG 4.44Å
556F62.7Low77.4Confident183 Ų18389.9 Ų89.980%0.80343%0.426SS*.THydrogen-bonded Turntrans-113.7-8-179.5-59.1-72.2000114H554H554-F556 PolarHBondContact O-N 3Å
557V58.3Low77.7Confident112 Ų11285.1 Ų85.168%0.67940%0.402SS*.THydrogen-bonded Turntrans-102.2-23.1-172.6-176.70000111.7R553 H554R553-V557 WeakPolarHBondContact O-CG2 3.45Å; H554-V557 PolarHBondContact O-N 3.3Å
558H54.6Low78Confident93 Ų9382.5 Ų82.543%0.43139%0.389SS..SBendtrans-121.6144.7-176.6-67.949.1000111.6H554 N560 W561H554-H558 AromaticContact ND1-CE1 3.61Å; H554-H558 AromaticContact ND1-ND1 3.75Å; H554-H558 AromaticContact ND1-NE2 3.94Å; H554-H558 PolarHBondContact O-N 2.77Å; H558-N560 HydrophobicContact CB-CB 4.43Å; H558-N560 PolarHBondContact O-N 3.46Å; H558-W561 PolarHBondContact O-N 2.92Å
559E64.5Low78.4Confident196 Ų19681.1 Ų81.192%0.91638%0.381SS*.THydrogen-bonded Turntrans-58-7.4170.7-66.9-17516000113.6
560N75.4Confident78.7Confident99 Ų9977.9 Ų77.953%0.52936%0.359SS..THydrogen-bonded Turntrans-87.25.5-178.8-78.5-20.3000115.6H558 K562 S563 Q564H558-N560 HydrophobicContact CB-CB 4.43Å; H558-N560 PolarHBondContact O-N 3.46Å; N560-K562 VanDerWaalsContact C-N 3.3Å; N560-K562 PolarHBondContact O-N 3.13Å; N560-S563 VanDerWaalsContact O-CB 3.26Å; N560-S563 WeakPolarHBondContact O-CB 3.46Å; N560-S563 PolarHBondContact O-N 3.01Å; N560-Q564 PolarHBondContact O-N 3.32Å
561W84.1Confident79.1Confident112 Ų11277.7 Ų77.742%0.42436%0.358SS..Hα-helixtrans-58-40.6-178.571.8-95.5000113.2F541 L555 H558 S563 Q564 L565F541-W561 HydrophobicContact CE2-CZ3 4.13Å; F541-W561 HydrophobicContact CZ-CZ3 4.38Å; L555-W561 HydrophobicContact CD2-CB 4.22Å; L555-W561 WeakPolarHBondContact O-CB 3.42Å; H558-W561 PolarHBondContact O-N 2.92Å; W561-S563 VanDerWaalsContact C-N 3.26Å; W561-S563 PolarHBondContact O-N 3.23Å; W561-Q564 PolarHBondContact O-N 2.71Å; W561-Q564 VanDerWaalsContact O-N 3.13Å; W561-L565 HydrophobicContact CE3-CD1 3.92Å; W561-L565 HydrophobicContact CZ3-CD1 4.13Å; W561-L565 PolarHBondContact O-N 2.75Å; W561-L565 VanDerWaalsContact O-N 3.13Å
562K88.7Confident79.7Confident108 Ų10871.2 Ų71.247%0.4733%0.33SS..Hα-helixtrans-62.9-37.1178.2-175.5-180178.3-176.90110.9F541 N560 Q564 L565 S566F541-K562 HydrophobicContact CD2-CG 3.97Å; F541-K562 HydrophobicContact CE2-CG 4.48Å; F541-K562 HydrophobicContact CG-CG 4.39Å; N560-K562 VanDerWaalsContact C-N 3.3Å; N560-K562 PolarHBondContact O-N 3.13Å; K562-Q564 VanDerWaalsContact C-N 3.35Å; K562-L565 CarbonylContact O-C 3.4Å; K562-L565 PolarHBondContact O-N 2.88Å; K562-S566 WeakPolarHBondContact O-CB 3.5Å; K562-S566 PolarHBondContact O-N 3.1Å; K562-S566 PolarHBondContact O-OG 3.49Å
563S88.1Confident80.5Confident9 Ų971.2 Ų71.26%0.06333%0.325CS..Hα-helixtrans-61.7-43.5175.3-1770000111.2G518 Q521 N560 W561 L565 S566 R568G518-S563 WeakPolarHBondContact CA-O 3.48Å; Q521-S563 PolarHBondContact OE1-OG 3.5Å; N560-S563 VanDerWaalsContact O-CB 3.26Å; N560-S563 WeakPolarHBondContact O-CB 3.46Å; N560-S563 PolarHBondContact O-N 3.01Å; W561-S563 VanDerWaalsContact C-N 3.26Å; W561-S563 PolarHBondContact O-N 3.23Å; S563-L565 VanDerWaalsContact C-N 3.26Å; S563-L565 PolarHBondContact O-N 3.42Å; S563-S566 PolarHBondContact O-N 3.46Å; S563-R568 PolarHBondContact OG-NE 3.22Å; S563-R568 PolarHBondContact OG-NH2 3.16Å
564Q88.7Confident81.1Confident29 Ų2963.4 Ų63.414%0.13630%0.302CS..Hα-helixtrans-66.9-27.9178.3-64.1-171.813.300113.2S519 P550 N560 W561 K562S519-Q564 PolarHBondContact N-O 3.07Å; P550-Q564 HydrophobicContact CB-CB 4.06Å; N560-Q564 PolarHBondContact O-N 3.32Å; W561-Q564 PolarHBondContact O-N 2.71Å; W561-Q564 VanDerWaalsContact O-N 3.13Å; K562-Q564 VanDerWaalsContact C-N 3.35Å
565L92.6Very high82.3Confident34 Ų3462.7 Ų62.718%0.17830%0.299CS..THydrogen-bonded Turntrans-96.724.8177.3-63.3-175.4000113.3F541 P542 H543 L544 P550 L555 W561 K562 S563F541-L565 HydrophobicContact CD2-CB 4.25Å; F541-L565 VanDerWaalsContact CD2-O 3.24Å; F541-L565 WeakPolarHBondContact CD2-O 3.46Å; F541-L565 HydrophobicContact CE2-CB 3.94Å; P542-L565 CarbonylContact C-O 3.59Å; H543-L565 PolarHBondContact N-O 3.44Å; H543-L565 CarbonylContact O-C 3.49Å; H543-L565 WeakPolarHBondContact O-CA 3.48Å; L544-L565 HydrophobicContact CD1-CD2 3.98Å; P550-L565 HydrophobicContact CB-CD2 4.32Å; P550-L565 HydrophobicContact CG-CD2 3.88Å; L555-L565 HydrophobicContact CD2-CD1 4.06Å; L555-L565 HydrophobicContact CD2-CG 4.44Å; W561-L565 HydrophobicContact CE3-CD1 3.92Å; W561-L565 HydrophobicContact CZ3-CD1 4.13Å; W561-L565 PolarHBondContact O-N 2.75Å; W561-L565 VanDerWaalsContact O-N 3.13Å; K562-L565 CarbonylContact O-C 3.4Å; K562-L565 PolarHBondContact O-N 2.88Å; S563-L565 VanDerWaalsContact C-N 3.26Å; S563-L565 PolarHBondContact O-N 3.42Å
566S94.5Very high83.6Confident0 Ų064.3 Ų64.30%031%0.306CS..SBendtrans-127.2150.4178.6-61.50000110.8G518 F540 F541 K562 S563G518-S566 WeakPolarHBondContact CA-O 3.28Å; G518-S566 PolarHBondContact N-O 3.16Å; F540-S566 WeakPolarHBondContact O-CA 3.48Å; F541-S566 WeakPolarHBondContact CB-OG 3.46Å; K562-S566 WeakPolarHBondContact O-CB 3.5Å; K562-S566 PolarHBondContact O-N 3.1Å; K562-S566 PolarHBondContact O-OG 3.49Å; S563-S566 PolarHBondContact O-N 3.46Å
567L95.6Very high84.8Confident0 Ų057.7 Ų57.70%028%0.279CS..EExtended strand (participates in β ladder)trans-78.8127.9164.4-178.180.5000107.2G435 Y439 T458 A515 Y516 Q539 F540 H543 V569G435-L567 WeakPolarHBondContact O-CD2 3.26Å; Y439-L567 HydrophobicContact CD1-CD2 4.4Å; Y439-L567 HydrophobicContact CG-CD2 4.43Å; T458-L567 HydrophobicContact CG2-CD1 3.7Å; A515-L567 HydrophobicContact CB-CD2 4.35Å; Y516-L567 WeakPolarHBondContact O-CD1 3.5Å; Q539-L567 CarbonylContact C-O 3.58Å; Q539-L567 WeakPolarHBondContact CA-O 3.13Å; F540-L567 HydrophobicContact CB-CB 4.25Å; F540-L567 PolarHBondContact N-O 3.34Å; F540-L567 PolarHBondContact O-N 3.33Å; H543-L567 HydrophobicContact CB-CB 3.98Å; L567-V569 HydrophobicContact CD2-CG2 4.26Å
568R94.3Very high86.3Confident31 Ų3154.5 Ų54.512%0.11726%0.255CS..EExtended strand (participates in β ladder)trans-95.7138.9173.4-73.8-153.1169.5-138.811.2110.4A515 Y516 Q521 E538 Q539 S563A515-R568 CarbonylContact C-O 3.49Å; A515-R568 VanDerWaalsContact CA-O 3.28Å; A515-R568 WeakPolarHBondContact CA-O 3.4Å; Y516-R568 HydrophobicContact CD1-CB 4.44Å; Y516-R568 HydrophobicContact CE1-CB 4.01Å; Y516-R568 HydrophobicContact CE2-CB 4.1Å; Y516-R568 PolarHBondContact N-O 2.91Å; Y516-R568 PolarHBondContact O-N 3.48Å; Q521-R568 VanDerWaalsContact CD-CZ 3.5Å; E538-R568 WeakPolarHBondContact O-CA 3.48Å; Q539-R568 HydrophobicContact CG-CG 4.38Å; Q539-R568 VanDerWaalsContact NE2-CZ 3.29Å; S563-R568 PolarHBondContact OG-NE 3.22Å; S563-R568 PolarHBondContact OG-NH2 3.16Å
569V95.9Very high88.3Confident0 Ų052.1 Ų52.10%024%0.244CC..EExtended strand (participates in β ladder)trans-125.8111.4173.2-177.80000108.9Y439 K513 L514 A515 E538 F540 L567Y439-V569 HydrophobicContact CD1-CG2 4.1Å; Y439-V569 HydrophobicContact CD2-CG1 4.38Å; Y439-V569 HydrophobicContact CD2-CG2 3.74Å; Y439-V569 HydrophobicContact CE1-CG1 4.49Å; Y439-V569 HydrophobicContact CE1-CG2 4.21Å; Y439-V569 HydrophobicContact CE2-CB 4.26Å; Y439-V569 HydrophobicContact CE2-CG1 3.66Å; Y439-V569 HydrophobicContact CE2-CG2 3.85Å; Y439-V569 HydrophobicContact CG-CG2 3.84Å; K513-V569 HydrophobicContact CB-CG1 4.16Å; K513-V569 HydrophobicContact CD-CG1 4.32Å; L514-V569 CarbonylContact O-C 3.59Å; L514-V569 VanDerWaalsContact O-CA 3.31Å; L514-V569 WeakPolarHBondContact O-CA 3.5Å; A515-V569 HydrophobicContact CB-CG2 4.05Å; E538-V569 HydrophobicContact CB-CB 4.37Å; E538-V569 PolarHBondContact N-O 3.13Å; E538-V569 PolarHBondContact O-N 2.97Å; F540-V569 HydrophobicContact CD2-CG2 3.8Å; F540-V569 HydrophobicContact CE2-CB 4.05Å; F540-V569 HydrophobicContact CE2-CG2 3.6Å; L567-V569 HydrophobicContact CD2-CG2 4.26Å
570L94.2Very high89.9Confident8 Ų842.5 Ų42.54%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-92.1125.1174-64.6177.1000109.3K513 L514 Y516 L528 V534 I572K513-L570 CarbonylContact C-O 3.59Å; K513-L570 VanDerWaalsContact CA-O 3.31Å; K513-L570 WeakPolarHBondContact CA-O 3.26Å; L514-L570 PolarHBondContact N-O 3.41Å; L514-L570 PolarHBondContact O-N 2.86Å; Y516-L570 HydrophobicContact CE1-CD1 3.76Å; Y516-L570 HydrophobicContact CE1-CG 3.85Å; L528-L570 HydrophobicContact CD1-CD1 4.12Å; L528-L570 HydrophobicContact CD2-CD1 4.05Å; V534-L570 HydrophobicContact CG1-CD2 4.19Å; L570-I572 HydrophobicContact CB-CG1 4.38Å
571T93.9Very high91Very high11 Ų1138.5 Ų38.57%0.06718%0.176CC..EExtended strand (participates in β ladder)trans-95.4112170.3-58.10000108.4I511 L512 V535 M536I511-T571 HydrophobicContact CG2-CG2 3.48Å; I511-T571 VanDerWaalsContact CG2-CG2 3.48Å; L512-T571 WeakPolarHBondContact O-CA 3.44Å; V535-T571 PolarHBondContact N-O 3.29Å; M536-T571 PolarHBondContact N-O 2.78Å; M536-T571 PolarHBondContact O-N 2.72Å
572I91.6Very high91.5Very high0 Ų032.8 Ų32.80%016%0.157CC..EExtended strand (participates in β ladder)trans-110.7121.1-177.7-56.8165.1000107.4L512 W531 N533 V534 L570 V574L512-I572 HydrophobicContact CB-CB 4.23Å; L512-I572 HydrophobicContact CD2-CB 4.45Å; L512-I572 HydrophobicContact CD2-CD1 4.07Å; L512-I572 PolarHBondContact N-O 3.25Å; L512-I572 PolarHBondContact O-N 3.17Å; W531-I572 HydrophobicContact CB-CG2 4.48Å; W531-I572 HydrophobicContact CE3-CD1 3.88Å; W531-I572 HydrophobicContact CZ3-CD1 4.5Å; N533-I572 WeakPolarHBondContact O-CA 3.33Å; V534-I572 HydrophobicContact CG2-CG1 4.26Å; L570-I572 HydrophobicContact CB-CG1 4.38Å; I572-V574 HydrophobicContact CG2-CG2 4.42Å
573K88.2Confident91.7Very high135 Ų13526.6 Ų26.659%0.58713%0.13SC*.EExtended strand (participates in β ladder)trans-85.7113167.5-172.4175.4-177.9179.90107.3G532 N533 V535G532-K573 WeakPolarHBondContact CA-O 3.28Å; N533-K573 PolarHBondContact N-O 3.05Å; N533-K573 PolarHBondContact O-N 3.48Å; V535-K573 HydrophobicContact CG2-CB 3.64Å
574V83Confident92Very high62 Ų6228.2 Ų28.238%0.37614%0.137SC..  trans-78.60-179.1175.50000110.4K503 F508 G510 L512 I572K503-V574 HydrophobicContact CD-CG1 4.25Å; K503-V574 HydrophobicContact CG-CG1 3.69Å; F508-V574 HydrophobicContact CD1-CB 3.92Å; F508-V574 HydrophobicContact CD1-CG1 4.15Å; F508-V574 HydrophobicContact CD1-CG2 4.14Å; F508-V574 HydrophobicContact CE1-CB 4.25Å; F508-V574 HydrophobicContact CE1-CG2 4.16Å; G510-V574 PolarHBondContact O-N 3.04Å; L512-V574 HydrophobicContact CB-CG2 4.03Å; I572-V574 HydrophobicContact CG2-CG2 4.42Å

Retrieved 574 of 574 residues in 1346.7 ms (Link to these results)

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