A0A077YY54_TRITR Loading...

Exocyst complex component Sec8

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession A0A077YY54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 884 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61Low81.7Confident85 Ų8568.1 Ų68.142%0.41932%0.324SS..  0-52.90-71-162.8-67.700111.7E3 K4 L40 T43 L44M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.29Å; M1-K4 WeakPolarHBondContact O-CA 3.37Å; M1-K4 PolarHBondContact O-N 2.62Å; M1-L40 HydrophobicContact CE-CD2 4.43Å; M1-T43 HydrophobicContact CE-CG2 4.11Å; M1-T43 HydrophobicContact SD-CG2 4.45Å; M1-L44 HydrophobicContact CG-CD1 3.92Å; M1-L44 HydrophobicContact SD-CB 4.08Å; M1-L44 HydrophobicContact SD-CD1 3.87Å
2E71.9Confident82.2Confident198 Ų19868.2 Ų68.293%0.92533%0.332SS*.THydrogen-bonded Turntrans-58.7-41.5175.8-67-178.3169.900112.4K4E2-K4 PolarHBondContact O-N 3.2Å
3E74.7Confident82.5Confident148 Ų14864.3 Ų64.369%0.69231%0.314SS*.THydrogen-bonded Turntrans-74.72.1173.4-60.7176.517300113.6M1 H5M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.29Å; E3-H5 PolarHBondContact O-CD2 3.14Å; E3-H5 PolarHBondContact O-N 2.98Å; E3-H5 VanDerWaalsContact O-N 3.11Å; E3-H5 PolarHBondContact O-NE2 3.3Å; E3-H5 IonicContact OE2-CE1 3.78Å; E3-H5 PolarHBondContact OE2-CE1 3.1Å; E3-H5 VanDerWaalsContact OE2-CE1 3.3Å; E3-H5 IonicContact OE2-ND1 3.78Å; E3-H5 PolarHBondContact OE2-ND1 3.45Å
4K78.4Confident82.6Confident85 Ų8562.2 Ų62.237%0.3732%0.317SS..  trans5819.4-178-58.8-178.9-180-179.80116.2M1 E2 F6 T133M1-K4 WeakPolarHBondContact O-CA 3.37Å; M1-K4 PolarHBondContact O-N 2.62Å; E2-K4 PolarHBondContact O-N 3.2Å; K4-F6 VanDerWaalsContact C-N 3.32Å; K4-F6 HydrophobicContact CB-CD2 4.3Å; K4-F6 HydrophobicContact CB-CE2 3.66Å; K4-F6 HydrophobicContact CB-CZ 4.2Å; K4-F6 HydrophobicContact CG-CE2 4.06Å; K4-F6 HydrophobicContact CG-CZ 4.24Å; K4-F6 WeakPolarHBondContact O-CD2 3.45Å; K4-F6 WeakPolarHBondContact O-CE2 3.35Å; K4-F6 PolarHBondContact O-N 3.01Å; K4-T133 HydrophobicContact CD-CG2 3.97Å
5H86Confident82.8Confident38 Ų3861.2 Ų61.218%0.17633%0.328CS..  trans-7779.9169.9-54.4161.8000110E3 H8 A9 E125 L127E3-H5 PolarHBondContact O-CD2 3.14Å; E3-H5 PolarHBondContact O-N 2.98Å; E3-H5 VanDerWaalsContact O-N 3.11Å; E3-H5 PolarHBondContact O-NE2 3.3Å; E3-H5 IonicContact OE2-CE1 3.78Å; E3-H5 PolarHBondContact OE2-CE1 3.1Å; E3-H5 VanDerWaalsContact OE2-CE1 3.3Å; E3-H5 IonicContact OE2-ND1 3.78Å; E3-H5 PolarHBondContact OE2-ND1 3.45Å; H5-H8 HydrophobicContact CB-CB 4.34Å; H5-A9 WeakPolarHBondContact O-CB 3.46Å; H5-A9 PolarHBondContact O-N 3.39Å; H5-E125 VanDerWaalsContact C-OE1 3.3Å; H5-E125 WeakPolarHBondContact CA-OE1 3.32Å; H5-L127 HydrophobicContact CB-CD2 3.76Å; H5-L127 PolarHBondContact CE1-O 3.28Å; H5-L127 VanDerWaalsContact CG-CD2 3.45Å; H5-L127 PolarHBondContact NE2-O 2.93Å
6F87.9Confident82.9Confident2 Ų260.3 Ų60.31%0.00933%0.328CS..Hα-helixtrans-82.2-39-171.3-66.6-69.3000112.4K4 A9 A10 L44 T47 I48 E51 E125 Y139 L143 S146K4-F6 VanDerWaalsContact C-N 3.32Å; K4-F6 HydrophobicContact CB-CD2 4.3Å; K4-F6 HydrophobicContact CB-CE2 3.66Å; K4-F6 HydrophobicContact CB-CZ 4.2Å; K4-F6 HydrophobicContact CG-CE2 4.06Å; K4-F6 HydrophobicContact CG-CZ 4.24Å; K4-F6 WeakPolarHBondContact O-CD2 3.45Å; K4-F6 WeakPolarHBondContact O-CE2 3.35Å; K4-F6 PolarHBondContact O-N 3.01Å; F6-A9 PolarHBondContact O-N 3.46Å; F6-A10 WeakPolarHBondContact O-CB 3.18Å; F6-A10 PolarHBondContact O-N 3.04Å; F6-L44 HydrophobicContact CD1-CD1 3.83Å; F6-T47 HydrophobicContact CE1-CG2 3.68Å; F6-T47 HydrophobicContact CZ-CG2 3.96Å; F6-I48 HydrophobicContact CB-CG1 4.34Å; F6-I48 HydrophobicContact CD1-CG1 3.84Å; F6-I48 HydrophobicContact CE1-CG1 4.45Å; F6-I48 HydrophobicContact CG-CG1 4.19Å; F6-E51 HydrophobicContact CE2-CG 4.08Å; F6-E51 HydrophobicContact CZ-CG 3.89Å; F6-E125 PolarHBondContact N-OE1 3.17Å; F6-Y139 HydrophobicContact CD2-CE2 4.4Å; F6-Y139 HydrophobicContact CE2-CE2 4.36Å; F6-Y139 WeakPolarHBondContact CE2-OH 3.47Å; F6-L143 HydrophobicContact CB-CD2 4.27Å; F6-L143 HydrophobicContact CD2-CD2 3.51Å; F6-L143 HydrophobicContact CE2-CD2 4.01Å; F6-L143 HydrophobicContact CG-CD2 3.94Å; F6-S146 VanDerWaalsContact C-OG 3.3Å
7L87.2Confident82.9Confident7 Ų758.7 Ų58.74%0.03732%0.322CS..Hα-helixtrans-69.8-45.7-179.3-176.570.3000109.7A9 A10 E11 C122 A123 E125 V142 D145 S146 L149L7-A9 VanDerWaalsContact C-N 3.3Å; L7-A9 PolarHBondContact O-N 3.49Å; L7-A10 PolarHBondContact O-N 3.27Å; L7-A10 VanDerWaalsContact O-N 3.1Å; L7-E11 WeakPolarHBondContact O-CG 3.42Å; L7-E11 PolarHBondContact O-N 2.87Å; L7-C122 HydrophobicContact CD2-CB 4.08Å; L7-A123 WeakPolarHBondContact CD2-O 3.45Å; L7-E125 WeakPolarHBondContact CA-OE2 3.44Å; L7-E125 HydrophobicContact CB-CB 4.26Å; L7-E125 VanDerWaalsContact CB-OE2 3.31Å; L7-E125 WeakPolarHBondContact CB-OE2 3.43Å; L7-E125 HydrophobicContact CD2-CB 4.28Å; L7-E125 PolarHBondContact N-OE1 2.64Å; L7-E125 VanDerWaalsContact N-OE1 3.15Å; L7-E125 PolarHBondContact N-OE2 3.38Å; L7-E125 VanDerWaalsContact N-OE2 3.12Å; L7-V142 HydrophobicContact CB-CG1 3.98Å; L7-D145 HydrophobicContact CD1-CB 3.74Å; L7-S146 WeakPolarHBondContact CA-OG 3.3Å; L7-S146 PolarHBondContact N-OG 2.83Å; L7-S146 VanDerWaalsContact N-OG 3.16Å; L7-L149 HydrophobicContact CD1-CD1 3.61Å; L7-L149 HydrophobicContact CD1-CG 4.44Å
8H87.1Confident82.8Confident85 Ų8559.1 Ų59.139%0.39433%0.334SS..Hα-helixtrans-59.7-38.8172.8-171.763.2000112.6H5 T12 E125 L127H5-H8 HydrophobicContact CB-CB 4.34Å; H8-T12 WeakPolarHBondContact O-CB 3.36Å; H8-T12 VanDerWaalsContact O-CG2 3.28Å; H8-T12 WeakPolarHBondContact O-CG2 3.45Å; H8-T12 PolarHBondContact O-N 3.11Å; H8-T12 PolarHBondContact O-OG1 3.35Å; H8-E125 PolarHBondContact N-OE2 2.95Å; H8-L127 HydrophobicContact CB-CD2 4.12Å
9A87.7Confident82.9Confident18 Ų1861.3 Ų61.315%0.14934%0.344CS..Hα-helixtrans-66.1-38.6174.400000112.4H5 F6 L7 T12 L13 L44H5-A9 WeakPolarHBondContact O-CB 3.46Å; H5-A9 PolarHBondContact O-N 3.39Å; F6-A9 PolarHBondContact O-N 3.46Å; L7-A9 VanDerWaalsContact C-N 3.3Å; L7-A9 PolarHBondContact O-N 3.49Å; A9-T12 WeakPolarHBondContact CA-OG1 2.96Å; A9-T12 PolarHBondContact O-OG1 3.31Å; A9-L13 WeakPolarHBondContact O-CB 3.39Å; A9-L13 PolarHBondContact O-N 2.91Å; A9-L44 HydrophobicContact CB-CD1 4.21Å; A9-L44 HydrophobicContact CB-CD2 4.33Å
10A88.8Confident82.7Confident2 Ų258.5 Ų58.52%0.01733%0.329CS..Hα-helixtrans-69-40.1177.100000111.9F6 L7 G14 L44 L149 M150F6-A10 WeakPolarHBondContact O-CB 3.18Å; F6-A10 PolarHBondContact O-N 3.04Å; L7-A10 PolarHBondContact O-N 3.27Å; L7-A10 VanDerWaalsContact O-N 3.1Å; A10-G14 WeakPolarHBondContact O-CA 3.11Å; A10-G14 PolarHBondContact O-N 2.92Å; A10-L44 HydrophobicContact CB-CD2 4.26Å; A10-L149 HydrophobicContact CB-CB 4.32Å; A10-L149 HydrophobicContact CB-CD1 4.41Å; A10-M150 HydrophobicContact CB-CG 4.16Å; A10-M150 HydrophobicContact CB-SD 4.47Å
11E88.2Confident82.4Confident81 Ų8160.1 Ų60.138%0.37934%0.337SS..Hα-helixtrans-64-48.2175.7-73.7-179.3165.900111.8L7 G14 G15 L149L7-E11 WeakPolarHBondContact O-CG 3.42Å; L7-E11 PolarHBondContact O-N 2.87Å; E11-G14 PolarHBondContact O-N 2.94Å; E11-G15 PolarHBondContact O-N 3.22Å; E11-L149 HydrophobicContact CB-CD1 4.48Å; E11-L149 HydrophobicContact CG-CD1 3.39Å
12T87.6Confident83.4Confident69 Ų6958.4 Ų58.442%0.42334%0.341SS..Hα-helixtrans-65.1-42.2-179.749.40000111.8H8 A9 S16H8-T12 WeakPolarHBondContact O-CB 3.36Å; H8-T12 VanDerWaalsContact O-CG2 3.28Å; H8-T12 WeakPolarHBondContact O-CG2 3.45Å; H8-T12 PolarHBondContact O-N 3.11Å; H8-T12 PolarHBondContact O-OG1 3.35Å; A9-T12 WeakPolarHBondContact CA-OG1 2.96Å; A9-T12 PolarHBondContact O-OG1 3.31Å; T12-S16 WeakPolarHBondContact O-CB 3.26Å; T12-S16 PolarHBondContact O-N 3.44Å; T12-S16 PolarHBondContact O-OG 3.21Å
13L86.4Confident83.7Confident18 Ų1860.2 Ų60.29%0.09434%0.339CS..Hα-helixtrans-69.4-44.5176.7-172.863.7000111.6A9 G15 S16 C17 F37 L40 N41 L44A9-L13 WeakPolarHBondContact O-CB 3.39Å; A9-L13 PolarHBondContact O-N 2.91Å; L13-G15 PolarHBondContact O-N 3.37Å; L13-S16 PolarHBondContact O-N 3.43Å; L13-S16 VanDerWaalsContact O-N 3.16Å; L13-C17 PolarHBondContact O-N 3.01Å; L13-C17 PolarHBondContact O-SG 3.14Å; L13-C17 VanDerWaalsContact O-SG 3.37Å; L13-F37 HydrophobicContact CD1-CB 4.2Å; L13-F37 HydrophobicContact CD1-CD1 4.32Å; L13-F37 HydrophobicContact CD1-CG 4.17Å; L13-L40 HydrophobicContact CD1-CB 4.32Å; L13-L40 HydrophobicContact CD2-CB 4.38Å; L13-N41 HydrophobicContact CD2-CB 3.85Å; L13-L44 HydrophobicContact CD2-CD2 4.27Å
14G84.2Confident84.1Confident35 Ų3555.7 Ų55.736%0.36132%0.32SS..Hα-helixtrans-59.5-44.9177.200000112.3A10 E11 S16 C17 A18A10-G14 WeakPolarHBondContact O-CA 3.11Å; A10-G14 PolarHBondContact O-N 2.92Å; E11-G14 PolarHBondContact O-N 2.94Å; G14-S16 VanDerWaalsContact C-N 3.34Å; G14-S16 PolarHBondContact O-N 3Å; G14-C17 PolarHBondContact O-N 3.28Å; G14-A18 WeakPolarHBondContact O-CB 3.42Å; G14-A18 PolarHBondContact O-N 3.4Å
15G84.4Confident83.9Confident47 Ų4760 Ų6049%0.48533%0.333SS..Hα-helixtrans-62.3-39.517400000112.9E11 L13 A18 L19E11-G15 PolarHBondContact O-N 3.22Å; L13-G15 PolarHBondContact O-N 3.37Å; G15-A18 PolarHBondContact O-N 2.75Å; G15-L19 PolarHBondContact O-N 3.16Å
16S85.1Confident83.4Confident47 Ų4765.6 Ų65.633%0.32937%0.365SS..Hα-helixtrans-68.7-40.2178.1-58.90000112.5T12 L13 G14 L19 L20T12-S16 WeakPolarHBondContact O-CB 3.26Å; T12-S16 PolarHBondContact O-N 3.44Å; T12-S16 PolarHBondContact O-OG 3.21Å; L13-S16 PolarHBondContact O-N 3.43Å; L13-S16 VanDerWaalsContact O-N 3.16Å; G14-S16 VanDerWaalsContact C-N 3.34Å; G14-S16 PolarHBondContact O-N 3Å; S16-L19 PolarHBondContact O-N 2.97Å; S16-L20 PolarHBondContact O-N 3.19Å; S16-L20 VanDerWaalsContact O-N 3.15Å
17C82.2Confident83.1Confident33 Ų3369.3 Ų69.322%0.22338%0.384CS..Hα-helixtrans-66-43.8173.6-70.60000111.6L13 G14 L19 L20 D21L13-C17 PolarHBondContact O-N 3.01Å; L13-C17 PolarHBondContact O-SG 3.14Å; L13-C17 VanDerWaalsContact O-SG 3.37Å; G14-C17 PolarHBondContact O-N 3.28Å; C17-L19 VanDerWaalsContact C-N 3.28Å; C17-L19 PolarHBondContact O-N 3.2Å; C17-L20 PolarHBondContact O-N 2.75Å; C17-L20 VanDerWaalsContact O-N 3.1Å; C17-D21 PolarHBondContact O-N 2.74Å
18A82Confident82.5Confident65 Ų6574.3 Ų74.354%0.53741%0.41SS..Hα-helixtrans-61.2-36.6176.500000112.5G14 G15 G22G14-A18 WeakPolarHBondContact O-CB 3.42Å; G14-A18 PolarHBondContact O-N 3.4Å; G15-A18 PolarHBondContact O-N 2.75Å; A18-G22 PolarHBondContact O-N 3.3Å
19L83.7Confident82.2Confident101 Ų10173.7 Ų73.753%0.52943%0.428SS..Hα-helixtrans-64.1-42.4173.8-165.394.1000111.7G15 S16 C17 R23 L24G15-L19 PolarHBondContact O-N 3.16Å; S16-L19 PolarHBondContact O-N 2.97Å; C17-L19 VanDerWaalsContact C-N 3.28Å; C17-L19 PolarHBondContact O-N 3.2Å; L19-R23 PolarHBondContact O-N 2.92Å; L19-L24 HydrophobicContact CD2-CD1 3.69Å; L19-L24 HydrophobicContact CG-CD1 4.12Å; L19-L24 PolarHBondContact O-N 3.39Å
20L78.8Confident82Confident6 Ų674.9 Ų74.93%0.03143%0.431CS..Hα-helixtrans-68.9-42.4178.9-85.6164.2000113.1S16 C17 L24 R25 L30 L33 R34 F37S16-L20 PolarHBondContact O-N 3.19Å; S16-L20 VanDerWaalsContact O-N 3.15Å; C17-L20 PolarHBondContact O-N 2.75Å; C17-L20 VanDerWaalsContact O-N 3.1Å; L20-L24 HydrophobicContact CD2-CB 4.45Å; L20-L24 HydrophobicContact CD2-CD1 4.49Å; L20-L24 CarbonylContact O-C 3.58Å; L20-R25 WeakPolarHBondContact O-CA 3.15Å; L20-R25 PolarHBondContact O-N 3.27Å; L20-R25 VanDerWaalsContact O-N 3.14Å; L20-L30 HydrophobicContact CD2-CB 3.91Å; L20-L30 HydrophobicContact CD2-CD1 3.66Å; L20-L30 HydrophobicContact CD2-CG 4.28Å; L20-L33 HydrophobicContact CD1-CD2 4.18Å; L20-L33 HydrophobicContact CD1-CG 4.28Å; L20-L33 HydrophobicContact CD2-CD2 4.37Å; L20-R34 HydrophobicContact CD2-CG 4.46Å; L20-R34 PolarHBondContact O-NH2 3.42Å; L20-F37 HydrophobicContact CD1-CD2 3.17Å; L20-F37 HydrophobicContact CD1-CE2 3.18Å; L20-F37 HydrophobicContact CD1-CG 4.29Å; L20-F37 HydrophobicContact CD1-CZ 4.33Å; L20-F37 HydrophobicContact CG-CE2 4.36Å
21D76.5Confident81.6Confident93 Ų9380.6 Ų80.650%0.49746%0.455SS..Hα-helixtrans-81.9-20.8-178.3-69.5-24.7000113.4C17 R25 R34C17-D21 PolarHBondContact O-N 2.74Å; D21-R25 WeakPolarHBondContact O-CD 3.38Å; D21-R34 IonicContact OD1-CZ 3.21Å; D21-R34 IonicContact OD1-NH1 3.71Å; D21-R34 PolarHBondContact OD1-NH1 3.23Å
22G81.8Confident81.4Confident49 Ų4979 Ų7951%0.50546%0.46SS..THydrogen-bonded Turntrans-86.9-99172.700000112.3A18 L24 R25A18-G22 PolarHBondContact O-N 3.3Å; G22-L24 VanDerWaalsContact C-N 3.28Å; G22-L24 PolarHBondContact O-N 2.79Å; G22-R25 PolarHBondContact O-N 3.09Å
23R80Confident81.2Confident235 Ų23579 Ų7989%0.88746%0.458SS*.THydrogen-bonded Turntrans-68.9-23.1-167.9-64.2-170.6-171.7-172.33.8114.2L19L19-R23 PolarHBondContact O-N 2.92Å
24L81.3Confident81Confident54 Ų5480.3 Ų80.328%0.28346%0.462SS..THydrogen-bonded Turntrans-109.218-175.4-52.8172.4000112.5L19 L20 G22 D26 I27 L30 R34L19-L24 HydrophobicContact CD2-CD1 3.69Å; L19-L24 HydrophobicContact CG-CD1 4.12Å; L19-L24 PolarHBondContact O-N 3.39Å; L20-L24 HydrophobicContact CD2-CB 4.45Å; L20-L24 HydrophobicContact CD2-CD1 4.49Å; L20-L24 CarbonylContact O-C 3.58Å; G22-L24 VanDerWaalsContact C-N 3.28Å; G22-L24 PolarHBondContact O-N 2.79Å; L24-D26 VanDerWaalsContact C-N 3.3Å; L24-D26 PolarHBondContact O-N 3.09Å; L24-I27 HydrophobicContact CB-CD1 4.09Å; L24-I27 HydrophobicContact CD2-CD1 3.6Å; L24-I27 HydrophobicContact CG-CD1 4.44Å; L24-I27 PolarHBondContact O-N 3.24Å; L24-L30 HydrophobicContact CB-CD1 3.81Å; L24-L30 HydrophobicContact CD1-CD1 4.07Å; L24-L30 HydrophobicContact CG-CD1 4.42Å; L24-R34 PolarHBondContact O-NH2 2.93Å
25R74.7Confident81.1Confident175 Ų17585.3 Ų85.366%0.6647%0.473SS*.THydrogen-bonded Turntrans-55.7-43.5-173.9-163.2174.7179.8165-0.9113.2L20 D21 G22 I27 R34L20-R25 WeakPolarHBondContact O-CA 3.15Å; L20-R25 PolarHBondContact O-N 3.27Å; L20-R25 VanDerWaalsContact O-N 3.14Å; D21-R25 WeakPolarHBondContact O-CD 3.38Å; G22-R25 PolarHBondContact O-N 3.09Å; R25-I27 VanDerWaalsContact C-N 3.32Å; R25-I27 PolarHBondContact O-N 2.7Å; R25-R34 PolarHBondContact O-NH2 3.15Å
26D76.6Confident81.2Confident155 Ų15585.7 Ų85.783%0.82947%0.466SS*.THydrogen-bonded Turntrans-88.45.6-169.1-54.9-34.6000114L24 D28L24-D26 VanDerWaalsContact C-N 3.3Å; L24-D26 PolarHBondContact O-N 3.09Å; D26-D28 PolarHBondContact O-N 2.94Å
27I81.3Confident81.3Confident80 Ų8085.1 Ų85.141%0.4146%0.458SS..  trans-89.3100.4-177.6-54.5178.9000110.4L24 R25 G29 L30L24-I27 HydrophobicContact CB-CD1 4.09Å; L24-I27 HydrophobicContact CD2-CD1 3.6Å; L24-I27 HydrophobicContact CG-CD1 4.44Å; L24-I27 PolarHBondContact O-N 3.24Å; R25-I27 VanDerWaalsContact C-N 3.32Å; R25-I27 PolarHBondContact O-N 2.7Å; I27-G29 PolarHBondContact O-N 3.03Å; I27-L30 HydrophobicContact CB-CD1 3.87Å; I27-L30 HydrophobicContact CB-CG 4.13Å; I27-L30 HydrophobicContact CD1-CD1 4.03Å; I27-L30 HydrophobicContact CG1-CD1 4.49Å; I27-L30 HydrophobicContact CG2-CD1 3.96Å; I27-L30 HydrophobicContact CG2-CG 3.8Å; I27-L30 PolarHBondContact O-N 2.95Å; I27-L30 VanDerWaalsContact O-N 3.08Å
28D74.7Confident81.4Confident112 Ų11289.7 Ų89.760%0.59948%0.476SS*.G310 helixtrans-57.3-32178.3-90.6-31.6000114D26 L30 K31D26-D28 PolarHBondContact O-N 2.94Å; D28-L30 PolarHBondContact O-N 3.28Å; D28-K31 WeakPolarHBondContact O-CB 3.37Å; D28-K31 WeakPolarHBondContact O-CG 3.3Å; D28-K31 PolarHBondContact O-N 2.69Å; D28-K31 WeakPolarHBondContact OD1-CE 3.24Å; D28-K31 IonicContact OD1-NZ 2.78Å; D28-K31 PolarHBondContact OD1-NZ 3.42Å
29G80.8Confident81.8Confident73 Ų7392.6 Ų92.675%0.75348%0.478SS*.G310 helixtrans-63.6-18.617800000114.1I27I27-G29 PolarHBondContact O-N 3.03Å
30L83.2Confident82.1Confident42 Ų4291.5 Ų91.522%0.2247%0.473CS..G310 helixtrans-90.73.9180-62.7175.1000113.3L20 L24 I27 D28 G32 L33 R34L20-L30 HydrophobicContact CD2-CB 3.91Å; L20-L30 HydrophobicContact CD2-CD1 3.66Å; L20-L30 HydrophobicContact CD2-CG 4.28Å; L24-L30 HydrophobicContact CB-CD1 3.81Å; L24-L30 HydrophobicContact CD1-CD1 4.07Å; L24-L30 HydrophobicContact CG-CD1 4.42Å; I27-L30 HydrophobicContact CB-CD1 3.87Å; I27-L30 HydrophobicContact CB-CG 4.13Å; I27-L30 HydrophobicContact CD1-CD1 4.03Å; I27-L30 HydrophobicContact CG1-CD1 4.49Å; I27-L30 HydrophobicContact CG2-CD1 3.96Å; I27-L30 HydrophobicContact CG2-CG 3.8Å; I27-L30 PolarHBondContact O-N 2.95Å; I27-L30 VanDerWaalsContact O-N 3.08Å; D28-L30 PolarHBondContact O-N 3.28Å; L30-G32 PolarHBondContact O-N 2.93Å; L30-L33 HydrophobicContact CD2-CD2 4.22Å; L30-L33 PolarHBondContact O-N 3.16Å; L30-R34 WeakPolarHBondContact O-CG 3.47Å; L30-R34 PolarHBondContact O-N 3.39Å
31K80.1Confident82.5Confident122 Ų12293.2 Ų93.253%0.5348%0.482SS..Hα-helixtrans-54.6-37.5176.2-80.2175.1-178160.60113.3D28 K35D28-K31 WeakPolarHBondContact O-CB 3.37Å; D28-K31 WeakPolarHBondContact O-CG 3.3Å; D28-K31 PolarHBondContact O-N 2.69Å; D28-K31 WeakPolarHBondContact OD1-CE 3.24Å; D28-K31 IonicContact OD1-NZ 2.78Å; D28-K31 PolarHBondContact OD1-NZ 3.42Å; K31-K35 PolarHBondContact O-N 3.28Å
32G83.7Confident83.3Confident47 Ų4792.4 Ų92.449%0.48548%0.475SS..Hα-helixtrans-63.7-45.6174.900000112.1L30 R34 K35 T36L30-G32 PolarHBondContact O-N 2.93Å; G32-R34 PolarHBondContact O-N 2.89Å; G32-K35 PolarHBondContact O-N 3.1Å; G32-T36 PolarHBondContact O-N 2.83Å; G32-T36 PolarHBondContact O-OG1 2.9Å
33L84.3Confident83.7Confident71 Ų7193.3 Ų93.337%0.37247%0.471SS..Hα-helixtrans-66-38.1179.8-166.766.7000112.1L20 L30 T36 F37L20-L33 HydrophobicContact CD1-CD2 4.18Å; L20-L33 HydrophobicContact CD1-CG 4.28Å; L20-L33 HydrophobicContact CD2-CD2 4.37Å; L30-L33 HydrophobicContact CD2-CD2 4.22Å; L30-L33 PolarHBondContact O-N 3.16Å; L33-T36 VanDerWaalsContact C-OG1 3.31Å; L33-T36 VanDerWaalsContact CA-OG1 3.25Å; L33-T36 WeakPolarHBondContact CA-OG1 3.42Å; L33-T36 PolarHBondContact O-N 3.47Å; L33-T36 PolarHBondContact O-OG1 2.84Å; L33-F37 HydrophobicContact CD1-CD1 4.28Å; L33-F37 HydrophobicContact CD1-CE1 3.64Å; L33-F37 HydrophobicContact CD1-CZ 3.79Å; L33-F37 HydrophobicContact CD2-CE2 4.21Å; L33-F37 HydrophobicContact CD2-CZ 3.99Å; L33-F37 HydrophobicContact CG-CD1 4.43Å; L33-F37 HydrophobicContact CG-CE1 3.99Å; L33-F37 HydrophobicContact CG-CE2 4.06Å; L33-F37 HydrophobicContact CG-CZ 3.77Å; L33-F37 WeakPolarHBondContact O-CG 3.48Å; L33-F37 PolarHBondContact O-N 3.15Å
34R82.5Confident84.3Confident45 Ų4582.3 Ų82.317%0.1743%0.43CS..Hα-helixtrans-57.4-50.1172.1-69.6176.3-173.2-77.9-13.3111.4L20 D21 L24 R25 L30 G32 T36 F37 E38L20-R34 HydrophobicContact CD2-CG 4.46Å; L20-R34 PolarHBondContact O-NH2 3.42Å; D21-R34 IonicContact OD1-CZ 3.21Å; D21-R34 IonicContact OD1-NH1 3.71Å; D21-R34 PolarHBondContact OD1-NH1 3.23Å; L24-R34 PolarHBondContact O-NH2 2.93Å; R25-R34 PolarHBondContact O-NH2 3.15Å; L30-R34 WeakPolarHBondContact O-CG 3.47Å; L30-R34 PolarHBondContact O-N 3.39Å; G32-R34 PolarHBondContact O-N 2.89Å; R34-T36 VanDerWaalsContact C-N 3.32Å; R34-T36 PolarHBondContact O-N 3.36Å; R34-F37 PolarHBondContact O-N 3.19Å; R34-E38 WeakPolarHBondContact O-CG 3.29Å; R34-E38 PolarHBondContact O-N 3.33Å
35K85.2Confident84.9Confident139 Ų13979.8 Ų79.860%0.60442%0.417SS*.Hα-helixtrans-59.8-40.4176.3-76.2-175.4176.6-175.30112.6K31 G32 E38 Q39K31-K35 PolarHBondContact O-N 3.28Å; G32-K35 PolarHBondContact O-N 3.1Å; K35-E38 PolarHBondContact O-N 2.89Å; K35-Q39 WeakPolarHBondContact O-CB 3.4Å; K35-Q39 VanDerWaalsContact O-CG 3.27Å; K35-Q39 WeakPolarHBondContact O-CG 3.41Å; K35-Q39 PolarHBondContact O-N 3.31Å
36T87.6Confident85.9Confident56 Ų5674 Ų7434%0.34440%0.403SS..Hα-helixtrans-67.3-37.8177.552.20000112.1G32 L33 R34 Q39 L40G32-T36 PolarHBondContact O-N 2.83Å; G32-T36 PolarHBondContact O-OG1 2.9Å; L33-T36 VanDerWaalsContact C-OG1 3.31Å; L33-T36 VanDerWaalsContact CA-OG1 3.25Å; L33-T36 WeakPolarHBondContact CA-OG1 3.42Å; L33-T36 PolarHBondContact O-N 3.47Å; L33-T36 PolarHBondContact O-OG1 2.84Å; R34-T36 VanDerWaalsContact C-N 3.32Å; R34-T36 PolarHBondContact O-N 3.36Å; T36-Q39 PolarHBondContact O-N 3.04Å; T36-L40 WeakPolarHBondContact O-CB 3.43Å; T36-L40 VanDerWaalsContact O-CG 3.29Å; T36-L40 WeakPolarHBondContact O-CG 3.36Å; T36-L40 PolarHBondContact O-N 3.37Å
37F86.4Confident86.7Confident34 Ų3468.4 Ų68.415%0.14937%0.374CS..Hα-helixtrans-71.2-37.6177.1-71.7-0.8000111.9L13 L20 L33 R34 Q39 L40 N41L13-F37 HydrophobicContact CD1-CB 4.2Å; L13-F37 HydrophobicContact CD1-CD1 4.32Å; L13-F37 HydrophobicContact CD1-CG 4.17Å; L20-F37 HydrophobicContact CD1-CD2 3.17Å; L20-F37 HydrophobicContact CD1-CE2 3.18Å; L20-F37 HydrophobicContact CD1-CG 4.29Å; L20-F37 HydrophobicContact CD1-CZ 4.33Å; L20-F37 HydrophobicContact CG-CE2 4.36Å; L33-F37 HydrophobicContact CD1-CD1 4.28Å; L33-F37 HydrophobicContact CD1-CE1 3.64Å; L33-F37 HydrophobicContact CD1-CZ 3.79Å; L33-F37 HydrophobicContact CD2-CE2 4.21Å; L33-F37 HydrophobicContact CD2-CZ 3.99Å; L33-F37 HydrophobicContact CG-CD1 4.43Å; L33-F37 HydrophobicContact CG-CE1 3.99Å; L33-F37 HydrophobicContact CG-CE2 4.06Å; L33-F37 HydrophobicContact CG-CZ 3.77Å; L33-F37 WeakPolarHBondContact O-CG 3.48Å; L33-F37 PolarHBondContact O-N 3.15Å; R34-F37 PolarHBondContact O-N 3.19Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 2.83Å; F37-L40 HydrophobicContact CD1-CD1 4.22Å; F37-L40 PolarHBondContact O-N 2.86Å; F37-N41 VanDerWaalsContact O-CB 3.27Å; F37-N41 WeakPolarHBondContact O-CB 3.36Å; F37-N41 PolarHBondContact O-N 3.39Å
38E85Confident87.3Confident129 Ų12964.6 Ų64.660%0.60336%0.355SS*.Hα-helixtrans-58-45.9169.6-74.1169-17300111.3R34 K35 N41 E42R34-E38 WeakPolarHBondContact O-CG 3.29Å; R34-E38 PolarHBondContact O-N 3.33Å; K35-E38 PolarHBondContact O-N 2.89Å; E38-N41 PolarHBondContact O-N 3.38Å; E38-E42 PolarHBondContact O-N 3.03Å
39Q89.2Confident88.2Confident126 Ų12659.6 Ų59.659%0.58933%0.328SS*.Hα-helixtrans-63.8-42.1176.3-74.3172.4-600112.7K35 T36 F37 N41 E42 T43K35-Q39 WeakPolarHBondContact O-CB 3.4Å; K35-Q39 VanDerWaalsContact O-CG 3.27Å; K35-Q39 WeakPolarHBondContact O-CG 3.41Å; K35-Q39 PolarHBondContact O-N 3.31Å; T36-Q39 PolarHBondContact O-N 3.04Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 2.83Å; Q39-N41 VanDerWaalsContact C-N 3.33Å; Q39-E42 PolarHBondContact O-N 3.16Å; Q39-T43 WeakPolarHBondContact O-CB 3.42Å; Q39-T43 PolarHBondContact O-N 3.25Å; Q39-T43 PolarHBondContact O-OG1 3.12Å
40L89.8Confident88.8Confident78 Ų7861.2 Ų61.241%0.40832%0.316SS..Hα-helixtrans-65.7-37.3176-74.4171.5000111.5M1 L13 T36 F37 T43 L44M1-L40 HydrophobicContact CE-CD2 4.43Å; L13-L40 HydrophobicContact CD1-CB 4.32Å; L13-L40 HydrophobicContact CD2-CB 4.38Å; T36-L40 WeakPolarHBondContact O-CB 3.43Å; T36-L40 VanDerWaalsContact O-CG 3.29Å; T36-L40 WeakPolarHBondContact O-CG 3.36Å; T36-L40 PolarHBondContact O-N 3.37Å; F37-L40 HydrophobicContact CD1-CD1 4.22Å; F37-L40 PolarHBondContact O-N 2.86Å; L40-T43 PolarHBondContact O-N 3.16Å; L40-L44 VanDerWaalsContact O-CB 3.26Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 PolarHBondContact O-N 3.19Å
41N88.3Confident89.3Confident42 Ų4260 Ų6023%0.22531%0.309CS..Hα-helixtrans-65.1-44.8176.8-161.445.2000111.1L13 F37 E38 Q39 Y45 M150L13-N41 HydrophobicContact CD2-CB 3.85Å; F37-N41 VanDerWaalsContact O-CB 3.27Å; F37-N41 WeakPolarHBondContact O-CB 3.36Å; F37-N41 PolarHBondContact O-N 3.39Å; E38-N41 PolarHBondContact O-N 3.38Å; Q39-N41 VanDerWaalsContact C-N 3.33Å; N41-Y45 WeakPolarHBondContact O-CB 3.43Å; N41-Y45 PolarHBondContact O-N 2.82Å; N41-M150 WeakPolarHBondContact O-CE 3.43Å; N41-M150 WeakPolarHBondContact OD1-CE 3.42Å
42E91.6Very high90.1Very high77 Ų7754.2 Ų54.236%0.3628%0.284SS..Hα-helixtrans-63.4-41.2173.1-74.8-61.9147.300112.2E38 Q39 Y45 C46 R155E38-E42 PolarHBondContact O-N 3.03Å; Q39-E42 PolarHBondContact O-N 3.16Å; E42-Y45 PolarHBondContact O-N 3.3Å; E42-C46 WeakPolarHBondContact O-CB 3.44Å; E42-C46 PolarHBondContact O-N 2.97Å; E42-C46 PolarHBondContact O-SG 3.47Å; E42-R155 VanDerWaalsContact CD-NH1 3.27Å; E42-R155 IonicContact OE1-CZ 2.69Å; E42-R155 IonicContact OE1-NH1 3.38Å; E42-R155 PolarHBondContact OE1-NH1 3.45Å; E42-R155 IonicContact OE1-NH2 3.64Å; E42-R155 IonicContact OE2-CZ 2.72Å; E42-R155 VanDerWaalsContact OE2-CZ 3.32Å; E42-R155 IonicContact OE2-NH1 3.16Å; E42-R155 PolarHBondContact OE2-NH1 2.83Å; E42-R155 IonicContact OE2-NH2 3.05Å; E42-R155 PolarHBondContact OE2-NH2 2.92Å
43T91.9Very high90.6Very high68 Ų6853 Ų5342%0.41727%0.267SS..Hα-helixtrans-64.1-47.8178.2-54.50000110.9M1 Q39 L40 Y45 C46 T47M1-T43 HydrophobicContact CE-CG2 4.11Å; M1-T43 HydrophobicContact SD-CG2 4.45Å; Q39-T43 WeakPolarHBondContact O-CB 3.42Å; Q39-T43 PolarHBondContact O-N 3.25Å; Q39-T43 PolarHBondContact O-OG1 3.12Å; L40-T43 PolarHBondContact O-N 3.16Å; T43-Y45 VanDerWaalsContact C-N 3.33Å; T43-Y45 PolarHBondContact O-N 2.89Å; T43-C46 PolarHBondContact O-N 3.48Å; T43-T47 PolarHBondContact O-N 3.32Å; T43-T47 PolarHBondContact O-OG1 2.74Å
44L92.2Very high91Very high4 Ų454 Ų542%0.02127%0.268CS..Hα-helixtrans-59.8-44.6177.3-179.761.4000111M1 F6 A9 A10 L13 L40 T47 I48 M150M1-L44 HydrophobicContact CG-CD1 3.92Å; M1-L44 HydrophobicContact SD-CB 4.08Å; M1-L44 HydrophobicContact SD-CD1 3.87Å; F6-L44 HydrophobicContact CD1-CD1 3.83Å; A9-L44 HydrophobicContact CB-CD1 4.21Å; A9-L44 HydrophobicContact CB-CD2 4.33Å; A10-L44 HydrophobicContact CB-CD2 4.26Å; L13-L44 HydrophobicContact CD2-CD2 4.27Å; L40-L44 VanDerWaalsContact O-CB 3.26Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 PolarHBondContact O-N 3.19Å; L44-T47 PolarHBondContact O-N 3.49Å; L44-I48 HydrophobicContact CD1-CD1 3.96Å; L44-I48 HydrophobicContact CD1-CG1 4.28Å; L44-I48 HydrophobicContact CG-CD1 3.84Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.43Å; L44-I48 PolarHBondContact O-N 2.96Å; L44-M150 HydrophobicContact CB-CE 4.02Å; L44-M150 HydrophobicContact CD2-CE 3.95Å; L44-M150 HydrophobicContact CD2-SD 3.82Å; L44-M150 HydrophobicContact CG-CE 3.97Å; L44-M150 HydrophobicContact CG-SD 4.01Å
45Y93.9Very high91.4Very high0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-57.5-51175.3172.1-94.2000111.6N41 E42 T43 T47 I48 I49 L147 L152 R155 A156 Q159N41-Y45 WeakPolarHBondContact O-CB 3.43Å; N41-Y45 PolarHBondContact O-N 2.82Å; E42-Y45 PolarHBondContact O-N 3.3Å; T43-Y45 VanDerWaalsContact C-N 3.33Å; T43-Y45 PolarHBondContact O-N 2.89Å; Y45-T47 VanDerWaalsContact C-N 3.35Å; Y45-T47 PolarHBondContact O-N 2.94Å; Y45-I48 PolarHBondContact O-N 3.03Å; Y45-I49 HydrophobicContact CD1-CG1 4.43Å; Y45-I49 HydrophobicContact CD2-CG1 4.44Å; Y45-I49 HydrophobicContact CE1-CG1 3.93Å; Y45-I49 HydrophobicContact CE2-CD1 4.17Å; Y45-I49 HydrophobicContact CE2-CG1 3.98Å; Y45-I49 WeakPolarHBondContact O-CG1 3.32Å; Y45-I49 PolarHBondContact O-N 2.97Å; Y45-L147 HydrophobicContact CD2-CD2 3.73Å; Y45-L147 HydrophobicContact CE2-CD2 4.05Å; Y45-L152 HydrophobicContact CD2-CB 3.82Å; Y45-L152 HydrophobicContact CD2-CD1 3.48Å; Y45-L152 VanDerWaalsContact CD2-CD1 3.48Å; Y45-L152 HydrophobicContact CD2-CG 4.27Å; Y45-L152 HydrophobicContact CE2-CB 3.97Å; Y45-L152 HydrophobicContact CE2-CD1 4.33Å; Y45-L152 HydrophobicContact CG-CD1 3.91Å; Y45-R155 HydrophobicContact CE1-CG 4.49Å; Y45-R155 HydrophobicContact CE2-CB 4.33Å; Y45-R155 HydrophobicContact CE2-CG 4.25Å; Y45-R155 WeakPolarHBondContact OH-CG 3.47Å; Y45-R155 PolarHBondContact OH-O 3.26Å; Y45-A156 HydrophobicContact CE2-CB 4.18Å; Y45-A156 WeakPolarHBondContact OH-CA 3.35Å; Y45-A156 PolarHBondContact OH-N 3.11Å; Y45-Q159 VanDerWaalsContact CE1-OE1 3.27Å; Y45-Q159 PolarHBondContact OH-OE1 3.28Å
46C94.5Very high91.8Very high55 Ų5545.4 Ų45.437%0.37223%0.232SC..Hα-helixtrans-58.7-45.1178.7-72.10000111.8E42 T43 I49 E50E42-C46 WeakPolarHBondContact O-CB 3.44Å; E42-C46 PolarHBondContact O-N 2.97Å; E42-C46 PolarHBondContact O-SG 3.47Å; T43-C46 PolarHBondContact O-N 3.48Å; C46-I49 PolarHBondContact O-N 3.38Å; C46-E50 WeakPolarHBondContact O-CG 3.32Å; C46-E50 PolarHBondContact O-N 3.08Å
47T93.7Very high92.1Very high37 Ų3742.8 Ų42.823%0.22722%0.216CC..Hα-helixtrans-64.7-40.9178.6-51.80000112.2F6 T43 L44 Y45 E50 E51F6-T47 HydrophobicContact CE1-CG2 3.68Å; F6-T47 HydrophobicContact CZ-CG2 3.96Å; T43-T47 PolarHBondContact O-N 3.32Å; T43-T47 PolarHBondContact O-OG1 2.74Å; L44-T47 PolarHBondContact O-N 3.49Å; Y45-T47 VanDerWaalsContact C-N 3.35Å; Y45-T47 PolarHBondContact O-N 2.94Å; T47-E50 PolarHBondContact O-N 3.18Å; T47-E51 WeakPolarHBondContact O-CG 3.42Å; T47-E51 PolarHBondContact O-N 3.5Å
48I94.3Very high92.2Very high0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-62.8-44.8176.6-69.4164.2000110.6F6 L44 Y45 E50 E51 I52 L143 L147 M150F6-I48 HydrophobicContact CB-CG1 4.34Å; F6-I48 HydrophobicContact CD1-CG1 3.84Å; F6-I48 HydrophobicContact CE1-CG1 4.45Å; F6-I48 HydrophobicContact CG-CG1 4.19Å; L44-I48 HydrophobicContact CD1-CD1 3.96Å; L44-I48 HydrophobicContact CD1-CG1 4.28Å; L44-I48 HydrophobicContact CG-CD1 3.84Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.43Å; L44-I48 PolarHBondContact O-N 2.96Å; Y45-I48 PolarHBondContact O-N 3.03Å; I48-E50 VanDerWaalsContact C-N 3.32Å; I48-E50 PolarHBondContact O-N 3.04Å; I48-E51 PolarHBondContact O-N 3.42Å; I48-I52 HydrophobicContact CG2-CD1 3.91Å; I48-I52 HydrophobicContact CG2-CG1 4.33Å; I48-I52 WeakPolarHBondContact O-CG1 3.31Å; I48-I52 PolarHBondContact O-N 3.07Å; I48-L143 HydrophobicContact CG1-CD2 4.3Å; I48-L143 HydrophobicContact CG2-CB 4.06Å; I48-L143 HydrophobicContact CG2-CD2 4.03Å; I48-L147 HydrophobicContact CB-CD2 4.28Å; I48-L147 HydrophobicContact CD1-CD2 4.42Å; I48-L147 HydrophobicContact CG2-CD1 3.93Å; I48-L147 HydrophobicContact CG2-CD2 3.83Å; I48-L147 HydrophobicContact CG2-CG 3.65Å; I48-M150 HydrophobicContact CD1-SD 3.93Å
49I94.8Very high92.4Very high7 Ų738.8 Ų38.84%0.03620%0.2CC..Hα-helixtrans-61.4-41.4176.8-66.2-65.4000111.4Y45 C46 I52 T53 L147 A156Y45-I49 HydrophobicContact CD1-CG1 4.43Å; Y45-I49 HydrophobicContact CD2-CG1 4.44Å; Y45-I49 HydrophobicContact CE1-CG1 3.93Å; Y45-I49 HydrophobicContact CE2-CD1 4.17Å; Y45-I49 HydrophobicContact CE2-CG1 3.98Å; Y45-I49 WeakPolarHBondContact O-CG1 3.32Å; Y45-I49 PolarHBondContact O-N 2.97Å; C46-I49 PolarHBondContact O-N 3.38Å; I49-I52 PolarHBondContact O-N 3.32Å; I49-T53 VanDerWaalsContact O-CB 3.32Å; I49-T53 WeakPolarHBondContact O-CB 3.43Å; I49-T53 PolarHBondContact O-N 3.35Å; I49-T53 PolarHBondContact O-OG1 2.88Å; I49-L147 HydrophobicContact CD1-CD1 4.43Å; I49-A156 HydrophobicContact CD1-CB 3.63Å
50E93.3Very high92.4Very high107 Ų10732.8 Ų32.850%0.517%0.172SC..Hα-helixtrans-61.4-42.5174.8-74.7176.8-168.400112.3C46 T47 I48 T53 K54C46-E50 WeakPolarHBondContact O-CG 3.32Å; C46-E50 PolarHBondContact O-N 3.08Å; T47-E50 PolarHBondContact O-N 3.18Å; I48-E50 VanDerWaalsContact C-N 3.32Å; I48-E50 PolarHBondContact O-N 3.04Å; E50-T53 PolarHBondContact O-N 2.65Å; E50-K54 VanDerWaalsContact O-CG 3.27Å; E50-K54 WeakPolarHBondContact O-CG 3.41Å; E50-K54 PolarHBondContact O-N 3.27Å
51E93.6Very high92.3Very high15 Ų1529.1 Ų29.17%0.0715%0.153CC..Hα-helixtrans-67.6-41177.6-72-61.412400112.3F6 T47 I48 T53 K54 Q55 Y139 L143F6-E51 HydrophobicContact CE2-CG 4.08Å; F6-E51 HydrophobicContact CZ-CG 3.89Å; T47-E51 WeakPolarHBondContact O-CG 3.42Å; T47-E51 PolarHBondContact O-N 3.5Å; I48-E51 PolarHBondContact O-N 3.42Å; E51-T53 VanDerWaalsContact C-N 3.32Å; E51-T53 PolarHBondContact O-N 3.46Å; E51-K54 PolarHBondContact O-N 2.96Å; E51-K54 WeakPolarHBondContact OE1-CD 3.4Å; E51-K54 IonicContact OE1-NZ 3.83Å; E51-K54 PolarHBondContact OE1-NZ 3.24Å; E51-Q55 VanDerWaalsContact O-CG 3.29Å; E51-Q55 WeakPolarHBondContact O-CG 3.34Å; E51-Q55 PolarHBondContact O-N 3.48Å; E51-Y139 HydrophobicContact CB-CE1 4.29Å; E51-Y139 PolarHBondContact OE2-OH 3.06Å; E51-L143 HydrophobicContact CB-CD1 3.98Å; E51-L143 HydrophobicContact CB-CD2 4.2Å
52I95.5Very high92.3Very high2 Ų229.4 Ų29.41%0.0116%0.159CC..Hα-helixtrans-58.8-46.6171.4-67.7174.2000109.7I48 I49 K54 Q55 L56 L143 L147 L160 L218I48-I52 HydrophobicContact CG2-CD1 3.91Å; I48-I52 HydrophobicContact CG2-CG1 4.33Å; I48-I52 WeakPolarHBondContact O-CG1 3.31Å; I48-I52 PolarHBondContact O-N 3.07Å; I49-I52 PolarHBondContact O-N 3.32Å; I52-K54 VanDerWaalsContact C-N 3.35Å; I52-K54 PolarHBondContact O-N 3.07Å; I52-Q55 PolarHBondContact O-N 3.4Å; I52-L56 VanDerWaalsContact O-CB 3.27Å; I52-L56 WeakPolarHBondContact O-CB 3.32Å; I52-L56 PolarHBondContact O-N 2.94Å; I52-L143 HydrophobicContact CD1-CB 4.22Å; I52-L143 HydrophobicContact CG1-CB 3.94Å; I52-L143 HydrophobicContact CG1-CD1 3.75Å; I52-L143 HydrophobicContact CG1-CG 4.44Å; I52-L147 HydrophobicContact CD1-CD1 3.62Å; I52-L160 HydrophobicContact CG2-CD1 4.21Å; I52-L160 HydrophobicContact CG2-CD2 3.95Å; I52-L218 HydrophobicContact CG2-CD1 3.95Å; I52-L218 HydrophobicContact CG2-CD2 3.86Å
53T94.3Very high92Very high21 Ų2128.8 Ų28.813%0.12916%0.155CC..Hα-helixtrans-62.5-40.3179.6-56.50000111.6I49 E50 E51 L56 Y57 Q167I49-T53 VanDerWaalsContact O-CB 3.32Å; I49-T53 WeakPolarHBondContact O-CB 3.43Å; I49-T53 PolarHBondContact O-N 3.35Å; I49-T53 PolarHBondContact O-OG1 2.88Å; E50-T53 PolarHBondContact O-N 2.65Å; E51-T53 VanDerWaalsContact C-N 3.32Å; E51-T53 PolarHBondContact O-N 3.46Å; T53-L56 PolarHBondContact O-N 3.09Å; T53-Y57 HydrophobicContact CG2-CD2 3.68Å; T53-Y57 HydrophobicContact CG2-CE2 4Å; T53-Y57 VanDerWaalsContact O-CD2 3.31Å; T53-Y57 WeakPolarHBondContact O-CD2 3.31Å; T53-Y57 PolarHBondContact O-N 3.18Å; T53-Q167 HydrophobicContact CG2-CG 4.07Å
54K92.7Very high91.7Very high92 Ų9225.7 Ų25.740%0.414%0.137SC..Iπ-helixtrans-64-42.7175-73.6169.9-162.2165.90112.1E50 E51 I52 L56 A58 K59E50-K54 VanDerWaalsContact O-CG 3.27Å; E50-K54 WeakPolarHBondContact O-CG 3.41Å; E50-K54 PolarHBondContact O-N 3.27Å; E51-K54 PolarHBondContact O-N 2.96Å; E51-K54 WeakPolarHBondContact OE1-CD 3.4Å; E51-K54 IonicContact OE1-NZ 3.83Å; E51-K54 PolarHBondContact OE1-NZ 3.24Å; I52-K54 VanDerWaalsContact C-N 3.35Å; I52-K54 PolarHBondContact O-N 3.07Å; K54-L56 VanDerWaalsContact C-N 3.33Å; K54-A58 WeakPolarHBondContact O-CB 3.44Å; K54-A58 PolarHBondContact O-N 2.93Å; K54-A58 VanDerWaalsContact O-N 3.09Å; K54-K59 PolarHBondContact O-N 3.05Å
55Q92.5Very high91.3Very high2 Ų226.2 Ų26.21%0.00914%0.139CC..Iπ-helixtrans-66.3-37.1176.4-70.4-73.7-0.200111.8E51 I52 P60 T133 Y139 I140E51-Q55 VanDerWaalsContact O-CG 3.29Å; E51-Q55 WeakPolarHBondContact O-CG 3.34Å; E51-Q55 PolarHBondContact O-N 3.48Å; I52-Q55 PolarHBondContact O-N 3.4Å; Q55-P60 WeakPolarHBondContact O-CD 3.33Å; Q55-P60 WeakPolarHBondContact O-CG 3.22Å; Q55-T133 PolarHBondContact NE2-O 3.04Å; Q55-T133 VanDerWaalsContact NE2-O 3.09Å; Q55-Y139 HydrophobicContact CG-CD1 3.66Å; Q55-Y139 HydrophobicContact CG-CE1 3.84Å; Q55-Y139 VanDerWaalsContact NE2-CE1 3.31Å; Q55-I140 HydrophobicContact CB-CG1 4.48Å
56L92.5Very high90.8Very high1 Ų128.7 Ų28.71%0.00515%0.153CC..Iπ-helixtrans-75.3-39.9-177.2-175.158.4000113.3I52 T53 K54 P60 I211 V214 Y215 L218I52-L56 VanDerWaalsContact O-CB 3.27Å; I52-L56 WeakPolarHBondContact O-CB 3.32Å; I52-L56 PolarHBondContact O-N 2.94Å; T53-L56 PolarHBondContact O-N 3.09Å; K54-L56 VanDerWaalsContact C-N 3.33Å; L56-P60 WeakPolarHBondContact O-CG 3.37Å; L56-I211 HydrophobicContact CD1-CG2 4.13Å; L56-I211 HydrophobicContact CG-CG2 4.41Å; L56-I211 WeakPolarHBondContact O-CG1 3.49Å; L56-V214 HydrophobicContact CD1-CB 4.1Å; L56-V214 HydrophobicContact CD1-CG1 3.9Å; L56-Y215 HydrophobicContact CD1-CD2 3.83Å; L56-Y215 HydrophobicContact CD1-CG 4.35Å; L56-Y215 HydrophobicContact CD2-CD2 3.7Å; L56-Y215 HydrophobicContact CD2-CE2 4.14Å; L56-Y215 HydrophobicContact CG-CD2 4.42Å; L56-L218 HydrophobicContact CD2-CD2 4.45Å
57Y94Very high90.1Very high1 Ų127.4 Ų27.40%0.00414%0.142CC..Iπ-helixtrans-117.4-51.2-172.5-53.6-71.1000113.8T53 C61 V164 Q167 L168 V172 I211 M242T53-Y57 HydrophobicContact CG2-CD2 3.68Å; T53-Y57 HydrophobicContact CG2-CE2 4Å; T53-Y57 VanDerWaalsContact O-CD2 3.31Å; T53-Y57 WeakPolarHBondContact O-CD2 3.31Å; T53-Y57 PolarHBondContact O-N 3.18Å; Y57-C61 WeakPolarHBondContact O-CB 3.41Å; Y57-C61 PolarHBondContact O-N 3.04Å; Y57-C61 VanDerWaalsContact O-N 3.17Å; Y57-V164 VanDerWaalsContact OH-CG2 3.27Å; Y57-V164 WeakPolarHBondContact OH-CG2 3.35Å; Y57-Q167 HydrophobicContact CD1-CB 4.1Å; Y57-Q167 HydrophobicContact CD2-CB 3.57Å; Y57-Q167 HydrophobicContact CD2-CG 3.87Å; Y57-Q167 HydrophobicContact CE1-CB 3.96Å; Y57-Q167 HydrophobicContact CE2-CB 3.41Å; Y57-Q167 VanDerWaalsContact CE2-CB 3.41Å; Y57-Q167 HydrophobicContact CE2-CG 3.59Å; Y57-Q167 HydrophobicContact CG-CB 3.91Å; Y57-L168 HydrophobicContact CD1-CD2 4.2Å; Y57-L168 HydrophobicContact CE1-CD2 4Å; Y57-L168 HydrophobicContact CE1-CG 4.36Å; Y57-V172 HydrophobicContact CD1-CG2 4.27Å; Y57-I211 HydrophobicContact CD1-CD1 4.44Å; Y57-I211 HydrophobicContact CD1-CG2 3.94Å; Y57-I211 HydrophobicContact CE1-CG2 3.95Å; Y57-M242 HydrophobicContact CE1-CE 4.41Å
58A89.1Confident89.3Confident20 Ų2026.7 Ų26.717%0.16514%0.138CC..Iπ-helixtrans-72-41.6-16900000112.9K54 S62K54-A58 WeakPolarHBondContact O-CB 3.44Å; K54-A58 PolarHBondContact O-N 2.93Å; K54-A58 VanDerWaalsContact O-N 3.09Å; A58-S62 WeakPolarHBondContact O-CB 3.3Å; A58-S62 PolarHBondContact O-N 2.75Å; A58-S62 PolarHBondContact O-OG 3.46Å
59K88.8Confident88.4Confident60 Ų6032 Ų3226%0.26116%0.158SC..Hα-helixtrans-69.2-52.8179-76.1-176.5175.1-172.70112.6K54 C61 S62 E63 T133K54-K59 PolarHBondContact O-N 3.05Å; K59-C61 PolarHBondContact O-N 3.42Å; K59-S62 PolarHBondContact O-N 2.99Å; K59-E63 PolarHBondContact O-N 3.41Å; K59-T133 PolarHBondContact NZ-O 3.27Å
60P88.4Confident87.4Confident0 Ų039.5 Ų39.50%019%0.186CC..Hα-helixtrans-52.5-41.6172.9-32.638.5000113.7Q55 L56 A64 Y107 F210 I211 V214Q55-P60 WeakPolarHBondContact O-CD 3.33Å; Q55-P60 WeakPolarHBondContact O-CG 3.22Å; L56-P60 WeakPolarHBondContact O-CG 3.37Å; P60-A64 PolarHBondContact O-N 3.02Å; P60-Y107 HydrophobicContact CB-CE1 4.2Å; P60-Y107 HydrophobicContact CG-CE1 3.99Å; P60-Y107 WeakPolarHBondContact CG-OH 3.21Å; P60-F210 HydrophobicContact CB-CB 3.79Å; P60-I211 HydrophobicContact CB-CG1 3.98Å; P60-I211 HydrophobicContact CG-CG1 4.46Å; P60-V214 HydrophobicContact CG-CG2 3.94Å
61C88.7Confident86Confident1 Ų138.8 Ų38.81%0.00719%0.188CC..Hα-helixtrans-61.4-46.3176.2179.80000111.8Y57 K59 I65 Q207Y57-C61 WeakPolarHBondContact O-CB 3.41Å; Y57-C61 PolarHBondContact O-N 3.04Å; Y57-C61 VanDerWaalsContact O-N 3.17Å; K59-C61 PolarHBondContact O-N 3.42Å; C61-I65 WeakPolarHBondContact O-CG1 3.44Å; C61-I65 PolarHBondContact O-N 3.44Å; C61-I65 VanDerWaalsContact O-N 3.17Å; C61-Q207 PolarHBondContact O-NE2 3.3Å; C61-Q207 PolarHBondContact SG-NE2 3.04Å
62S87.6Confident84.3Confident48 Ų4842 Ų4234%0.33621%0.206SC..Hα-helixtrans-67.8-40.2-179.5-56.40000112.5A58 K59 I65 N66A58-S62 WeakPolarHBondContact O-CB 3.3Å; A58-S62 PolarHBondContact O-N 2.75Å; A58-S62 PolarHBondContact O-OG 3.46Å; K59-S62 PolarHBondContact O-N 2.99Å; S62-I65 PolarHBondContact O-N 3.03Å; S62-N66 WeakPolarHBondContact O-CB 3.29Å; S62-N66 PolarHBondContact O-N 2.96Å; S62-N66 PolarHBondContact O-ND2 3.34Å
63E85.7Confident81.8Confident63 Ų6346.9 Ų46.929%0.29424%0.236SC..Hα-helixtrans-61.9-48177-70.7-57.2148.800111.6K59 I65 N66 D67 Y107K59-E63 PolarHBondContact O-N 3.41Å; E63-I65 VanDerWaalsContact C-N 3.29Å; E63-I65 PolarHBondContact O-N 3.11Å; E63-N66 PolarHBondContact O-N 2.82Å; E63-N66 VanDerWaalsContact O-N 3.16Å; E63-D67 PolarHBondContact O-N 2.94Å; E63-Y107 HydrophobicContact CB-CD2 4.26Å; E63-Y107 HydrophobicContact CB-CG 4.41Å; E63-Y107 HydrophobicContact CG-CD2 3.72Å; E63-Y107 HydrophobicContact CG-CE2 3.84Å; E63-Y107 HydrophobicContact CG-CG 4.36Å
64A85.5Confident78.8Confident3 Ų353.7 Ų53.73%0.02527%0.268CS..Hα-helixtrans-60.2-39.317700000112.4P60 V68 L203 V206 Q207 F210P60-A64 PolarHBondContact O-N 3.02Å; A64-V68 WeakPolarHBondContact O-CG2 3.46Å; A64-V68 PolarHBondContact O-N 2.87Å; A64-L203 HydrophobicContact CB-CD1 3.86Å; A64-V206 HydrophobicContact CB-CG1 4.12Å; A64-Q207 HydrophobicContact CB-CG 3.43Å; A64-Q207 VanDerWaalsContact CB-CG 3.43Å; A64-F210 HydrophobicContact CB-CD2 4.3Å; A64-F210 HydrophobicContact CB-CE2 3.99Å
65I84.8Confident76Confident15 Ų1554.8 Ų54.88%0.07729%0.285CS..Hα-helixtrans-68.1-41.3176.5-73.6168.3000111.3C61 S62 E63 D67 V68 R69 F179 L203C61-I65 WeakPolarHBondContact O-CG1 3.44Å; C61-I65 PolarHBondContact O-N 3.44Å; C61-I65 VanDerWaalsContact O-N 3.17Å; S62-I65 PolarHBondContact O-N 3.03Å; E63-I65 VanDerWaalsContact C-N 3.29Å; E63-I65 PolarHBondContact O-N 3.11Å; I65-D67 VanDerWaalsContact C-N 3.34Å; I65-V68 PolarHBondContact O-N 3.35Å; I65-R69 PolarHBondContact O-N 2.93Å; I65-F179 HydrophobicContact CD1-CB 4.2Å; I65-F179 HydrophobicContact CD1-CG 4.25Å; I65-F179 HydrophobicContact CG1-CD1 4.16Å; I65-F179 HydrophobicContact CG1-CG 4.17Å; I65-F179 HydrophobicContact CG2-CD1 4.21Å; I65-F179 HydrophobicContact CG2-CD2 3.49Å; I65-F179 VanDerWaalsContact CG2-CD2 3.49Å; I65-F179 HydrophobicContact CG2-CE1 4.14Å; I65-F179 HydrophobicContact CG2-CE2 3.45Å; I65-F179 VanDerWaalsContact CG2-CE2 3.45Å; I65-F179 HydrophobicContact CG2-CG 3.92Å; I65-F179 HydrophobicContact CG2-CZ 3.79Å; I65-L203 HydrophobicContact CG1-CD2 4.16Å
66N83.3Confident72.9Confident52 Ų5264.2 Ų64.228%0.27833%0.326SS..Hα-helixtrans-65.8-36.9179.2-73.3-24.6000111.8S62 E63 V68 R69 R70S62-N66 WeakPolarHBondContact O-CB 3.29Å; S62-N66 PolarHBondContact O-N 2.96Å; S62-N66 PolarHBondContact O-ND2 3.34Å; E63-N66 PolarHBondContact O-N 2.82Å; E63-N66 VanDerWaalsContact O-N 3.16Å; N66-V68 VanDerWaalsContact C-N 3.34Å; N66-V68 PolarHBondContact O-N 3.06Å; N66-R69 WeakPolarHBondContact O-CB 3.43Å; N66-R69 PolarHBondContact O-N 2.96Å; N66-R69 VanDerWaalsContact O-N 3.17Å; N66-R70 WeakPolarHBondContact O-CG 3.5Å; N66-R70 PolarHBondContact O-N 3.29Å
67D78.5Confident69.9Low29 Ų2969 Ų6916%0.15537%0.366CS..Hα-helixtrans-63.2-39.3174.1-80.5-9.5000112.4E63 I65 R69 R70 T71 G103E63-D67 PolarHBondContact O-N 2.94Å; I65-D67 VanDerWaalsContact C-N 3.34Å; D67-R69 VanDerWaalsContact C-N 3.34Å; D67-R70 PolarHBondContact O-N 3.38Å; D67-R70 IonicContact OD1-CZ 3.9Å; D67-R70 IonicContact OD1-NH1 3.76Å; D67-R70 PolarHBondContact OD1-NH1 3.34Å; D67-T71 WeakPolarHBondContact O-CG2 3.45Å; D67-T71 PolarHBondContact O-N 3.44Å; D67-T71 PolarHBondContact O-OG1 3.44Å; D67-G103 VanDerWaalsContact OD2-C 3.25Å
68V77.9Confident67Low21 Ų2176.7 Ų76.713%0.12741%0.407CS..Hα-helixtrans-64-41.4172.61760000110.8A64 I65 N66 T71 N72 F179 L184 L203A64-V68 WeakPolarHBondContact O-CG2 3.46Å; A64-V68 PolarHBondContact O-N 2.87Å; I65-V68 PolarHBondContact O-N 3.35Å; N66-V68 VanDerWaalsContact C-N 3.34Å; N66-V68 PolarHBondContact O-N 3.06Å; V68-T71 WeakPolarHBondContact CA-OG1 3.33Å; V68-T71 PolarHBondContact O-N 3.49Å; V68-T71 PolarHBondContact O-OG1 3.29Å; V68-N72 WeakPolarHBondContact O-CB 3.39Å; V68-N72 PolarHBondContact O-N 2.91Å; V68-F179 HydrophobicContact CG1-CE1 4.21Å; V68-F179 HydrophobicContact CG1-CZ 4.4Å; V68-L184 HydrophobicContact CG1-CD1 4.23Å; V68-L203 HydrophobicContact CG2-CD1 3.86Å; V68-L203 HydrophobicContact CG2-CD2 4.5Å
69R76Confident63.9Low113 Ų11379.6 Ų79.643%0.42644%0.439SS..Hα-helixtrans-63-43.8176.1-74.1177.9170.9162.81112.2I65 N66 D67 T71 N72 V73 F179 H183I65-R69 PolarHBondContact O-N 2.93Å; N66-R69 WeakPolarHBondContact O-CB 3.43Å; N66-R69 PolarHBondContact O-N 2.96Å; N66-R69 VanDerWaalsContact O-N 3.17Å; D67-R69 VanDerWaalsContact C-N 3.34Å; R69-T71 VanDerWaalsContact C-N 3.29Å; R69-T71 PolarHBondContact O-N 2.84Å; R69-N72 PolarHBondContact O-N 3.41Å; R69-V73 WeakPolarHBondContact O-CG2 3.49Å; R69-V73 PolarHBondContact O-N 3.25Å; R69-V73 VanDerWaalsContact O-N 3.12Å; R69-F179 HydrophobicContact CG-CE2 4.09Å; R69-F179 HydrophobicContact CG-CZ 4.08Å; R69-H183 PolarHBondContact NH2-NE2 3.36Å
70R72.6Confident60.9Low164 Ų16479.5 Ų79.562%0.61946%0.455SS*.Hα-helixtrans-61.6-37.6177.8-70.8171.4-171.5157-2.4112N66 D67N66-R70 WeakPolarHBondContact O-CG 3.5Å; N66-R70 PolarHBondContact O-N 3.29Å; D67-R70 PolarHBondContact O-N 3.38Å; D67-R70 IonicContact OD1-CZ 3.9Å; D67-R70 IonicContact OD1-NH1 3.76Å; D67-R70 PolarHBondContact OD1-NH1 3.34Å
71T64.3Low58.1Low91 Ų9187.2 Ų87.256%0.55850%0.496SS*.Hα-helixtrans-80.3-31.5-179.950.90000113.6D67 V68 R69D67-T71 WeakPolarHBondContact O-CG2 3.45Å; D67-T71 PolarHBondContact O-N 3.44Å; D67-T71 PolarHBondContact O-OG1 3.44Å; V68-T71 WeakPolarHBondContact CA-OG1 3.33Å; V68-T71 PolarHBondContact O-N 3.49Å; V68-T71 PolarHBondContact O-OG1 3.29Å; R69-T71 VanDerWaalsContact C-N 3.29Å; R69-T71 PolarHBondContact O-N 2.84Å
72N58.9Low55.1Low83 Ų8394.1 Ų94.144%0.44454%0.538SS..Hα-helixtrans-86.6-7.8178.1-91.40.6000115.1V68 R69 M74 L184V68-N72 WeakPolarHBondContact O-CB 3.39Å; V68-N72 PolarHBondContact O-N 2.91Å; R69-N72 PolarHBondContact O-N 3.41Å; N72-M74 VanDerWaalsContact C-N 3.27Å; N72-M74 PolarHBondContact O-N 2.93Å; N72-L184 WeakPolarHBondContact ND2-CD2 3.29Å
73V42.1Very low52.2Low105 Ų105100.5 Ų100.564%0.63656%0.563SS**SBendtrans-68.794.7168.2178.70000107.3R69R69-V73 WeakPolarHBondContact O-CG2 3.49Å; R69-V73 PolarHBondContact O-N 3.25Å; R69-V73 VanDerWaalsContact O-N 3.12Å
74M31.2Very low49.2Very low163 Ų163104.1 Ų104.180%0.80359%0.589SS**  trans-43.5127.2162.8-85.1-80.7-178.500108N72 K76N72-M74 VanDerWaalsContact C-N 3.27Å; N72-M74 PolarHBondContact O-N 2.93Å; M74-K76 PolarHBondContact O-N 2.78Å
75P32.9Very low46.3Very low116 Ų116111.9 Ų111.975%0.75363%0.629SS**  trans-57.5108.9172.221.6-28.8000106.7A77P75-A77 PolarHBondContact O-N 3.46Å
76K28.5Very low43.5Very low200 Ų200117.1 Ų117.187%0.8766%0.662SS**  trans-56.3107174.7-162.5173.9-175.81780105M74 N78M74-K76 PolarHBondContact O-N 2.78Å; K76-N78 PolarHBondContact O-N 2.88Å
77A29.5Very low40.4Very low102 Ų102123.7 Ų123.784%0.84369%0.691SS**  trans-51.1102.4-17800000108.2P75 G79P75-A77 PolarHBondContact O-N 3.46Å; A77-G79 PolarHBondContact O-N 2.75Å
78N32.1Very low37.8Very low162 Ų162127.4 Ų127.487%0.86672%0.72SS**  trans-75.4118.2173-139.439.4000104.5K76 G80K76-N78 PolarHBondContact O-N 2.88Å; N78-G80 PolarHBondContact O-N 3.14Å
79G24.9Very low35.1Very low81 Ų81132.7 Ų132.784%0.83575%0.752SS**  trans-53.4133.7-178.200000111.3A77A77-G79 PolarHBondContact O-N 2.75Å
80G25.9Very low32.4Very low58 Ų58138.6 Ų138.660%0.59877%0.774SS**  trans161.8104.1178.800000110.2N78N78-G80 PolarHBondContact O-N 3.14Å
81D29.5Very low30Very low162 Ų162138.7 Ų138.787%0.86679%0.787SS**  trans88.1130.6149.3-48.3-25.1000119
82T25.1Very low28.1Very low145 Ų145141 Ų14189%0.8980%0.801SS**  trans-101.884.9-160.7-410000107.7
83E27.3Very low26.3Very low182 Ų182139.7 Ų139.785%0.8581%0.807SS**  trans-135.7120.8173.2-71-168.6169.600112.2L85E83-L85 PolarHBondContact O-N 3.33Å
84T23.3Very low25.5Very low140 Ų140138.3 Ų138.386%0.85982%0.815SS**  trans-36.9116.9174.849.10000114.1
85L23.4Very low25Very low165 Ų165137.9 Ų137.986%0.86481%0.812SS**  trans-124.499166.1-137.292.7000111.6E83E83-L85 PolarHBondContact O-N 3.33Å
86V25.6Very low25Very low126 Ų126137 Ų13776%0.76480%0.801SS**  trans10.5115.9141.9-169.40000116.4S88V86-S88 PolarHBondContact O-N 2.99Å
87E20.2Very low25Very low189 Ų189131.2 Ų131.288%0.88378%0.779SS**  trans-49.684.4169.5-162.7167.6-152.700112.8T89E87-T89 PolarHBondContact O-N 3.3Å
88S22.3Very low25Very low108 Ų108130.5 Ų130.576%0.75577%0.766SS**  trans-84.3105.2170.165.80000110V86V86-S88 PolarHBondContact O-N 2.99Å
89T21.5Very low25.1Very low131 Ų131127.1 Ų127.180%0.80476%0.755SS**  trans-42.4134.1180-28.90000113.8E87 N91E87-T89 PolarHBondContact O-N 3.3Å; T89-N91 PolarHBondContact O-N 3.32Å
90W19.7Very low25.7Very low237 Ų237127 Ų12790%0.89874%0.741SS**  trans-58.696.6176-56.2-37.4000111.7T92W90-T92 PolarHBondContact O-N 2.83Å; W90-T92 PolarHBondContact O-OG1 3.18Å
91N21.9Very low26.4Very low167 Ų167127 Ų12789%0.89374%0.735SS**  trans-84.788.7165.4-120.9-1.7000108.4T89 G93T89-N91 PolarHBondContact O-N 3.32Å; N91-G93 PolarHBondContact O-N 2.99Å
92T23.9Very low27Very low138 Ų138124.3 Ų124.385%0.84773%0.727SS**  trans-71.459.2179.5-29.20000111W90W90-T92 PolarHBondContact O-N 2.83Å; W90-T92 PolarHBondContact O-OG1 3.18Å
93G22.7Very low27.9Very low56 Ų56119.1 Ų119.158%0.57770%0.702SS**SBendtrans-117.295.8169.600000107.5N91 M95N91-G93 PolarHBondContact O-N 2.99Å; G93-M95 PolarHBondContact O-N 3.41Å
94G23.5Very low29.3Very low77 Ų77111.3 Ų111.379%0.79467%0.67SS**  trans-31.692.3-174.400000113.6L96G94-L96 PolarHBondContact O-N 3.02Å
95M22.6Very low31.2Very low153 Ų153107.1 Ų107.175%0.75465%0.65SS**  trans-72.989.4179.3-164.9151.4155.100105.8G93 L97 P98G93-M95 PolarHBondContact O-N 3.41Å; M95-L97 PolarHBondContact O-N 3.38Å; M95-P98 HydrophobicContact CE-CG 4.37Å
96L30.9Very low33.6Very low97 Ų97102.6 Ų102.651%0.50864%0.636SS.*  trans-43.7135.2158.3-62.4172.9000106.3G94G94-L96 PolarHBondContact O-N 3.02Å
97L30.4Very low36.2Very low79 Ų7997.4 Ų97.441%0.41460%0.603SS.*SBendtrans-31.9118.5171.2-139.891.4000107.9M95 S99M95-L97 PolarHBondContact O-N 3.38Å; L97-S99 PolarHBondContact O-N 3.28Å
98P28.6Very low38.9Very low87 Ų8790.3 Ų90.357%0.56558%0.576SS**SBendtrans-47.9123.3-174.7-14.817.2000106.4M95 C100M95-P98 HydrophobicContact CE-CG 4.37Å; P98-C100 WeakPolarHBondContact O-CA 3.38Å; P98-C100 PolarHBondContact O-N 3.41Å
99S33.6Very low41.8Very low91 Ų9187.8 Ų87.864%0.63656%0.562SS**THydrogen-bonded Turntrans-14.599.8-179.61710000109.6L97 A101L97-S99 PolarHBondContact O-N 3.28Å; S99-A101 PolarHBondContact O-N 2.95Å
100C37.8Very low44.9Very low79 Ų7984.1 Ų84.153%0.53454%0.537SS..THydrogen-bonded Turntrans-22.9102.8-166.8-155.30000109.2P98P98-C100 WeakPolarHBondContact O-CA 3.38Å; P98-C100 PolarHBondContact O-N 3.41Å
101A39.7Very low48.1Very low59 Ų5973.5 Ų73.549%0.48850%0.498SS..  trans-46.6151.6-175.600000108.5S99 G103S99-A101 PolarHBondContact O-N 2.95Å; A101-G103 PolarHBondContact O-N 3.29Å
102P42.2Very low51.1Low105 Ų10572.2 Ų72.268%0.68249%0.491SS*.THydrogen-bonded Turntrans-66.529.6-172.428.4-35.2000114.3G104 A105P102-G104 PolarHBondContact O-N 2.93Å; P102-A105 HydrophobicContact CB-CB 3.96Å; P102-A105 WeakPolarHBondContact O-CA 3.5Å; P102-A105 WeakPolarHBondContact O-CB 3.44Å; P102-A105 PolarHBondContact O-N 3.27Å
103G45.7Very low54.2Low36 Ų3670 Ų7037%0.37147%0.471SS..THydrogen-bonded Turntrans-50.9-37.1166.400000111.9D67 A101 A105 A106D67-G103 VanDerWaalsContact OD2-C 3.25Å; A101-G103 PolarHBondContact O-N 3.29Å; G103-A105 PolarHBondContact O-N 3.04Å; G103-A105 VanDerWaalsContact O-N 3.14Å; G103-A106 PolarHBondContact O-N 3.4Å
104G56.3Low57.3Low18 Ų1873.6 Ų73.619%0.18648%0.481CS..Hα-helixtrans-67.2-12.2172.300000115.9P102 A106 A108 F210P102-G104 PolarHBondContact O-N 2.93Å; G104-A106 VanDerWaalsContact C-N 3.3Å; G104-A106 PolarHBondContact O-N 2.94Å; G104-A108 VanDerWaalsContact O-CB 3.3Å; G104-A108 WeakPolarHBondContact O-CB 3.44Å; G104-A108 PolarHBondContact O-N 2.66Å; G104-F210 VanDerWaalsContact CA-CZ 3.48Å; G104-F210 VanDerWaalsContact O-CE1 3.29Å; G104-F210 WeakPolarHBondContact O-CE1 3.16Å
105A61.9Low60.4Low52 Ų5270.7 Ų70.743%0.4345%0.448SS..Hα-helixtrans-69-2917600000112P102 G103 A109P102-A105 HydrophobicContact CB-CB 3.96Å; P102-A105 WeakPolarHBondContact O-CA 3.5Å; P102-A105 WeakPolarHBondContact O-CB 3.44Å; P102-A105 PolarHBondContact O-N 3.27Å; G103-A105 PolarHBondContact O-N 3.04Å; G103-A105 VanDerWaalsContact O-N 3.14Å; A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 2.72Å
106A74.8Confident63.6Low70 Ų7066.2 Ų66.258%0.57943%0.433SS*.Hα-helixtrans-65.4-49.7177.700000111.2G103 G104 A109 L110G103-A106 PolarHBondContact O-N 3.4Å; G104-A106 VanDerWaalsContact C-N 3.3Å; G104-A106 PolarHBondContact O-N 2.94Å; A106-A109 PolarHBondContact O-N 3.07Å; A106-L110 PolarHBondContact O-N 3.12Å
107Y79.1Confident66.4Low17 Ų1765.7 Ų65.77%0.06743%0.429CS..Hα-helixtrans-70.1-35178-166.3-101.4000112.5P60 E63 L110 M111 F210 V214P60-Y107 HydrophobicContact CB-CE1 4.2Å; P60-Y107 HydrophobicContact CG-CE1 3.99Å; P60-Y107 WeakPolarHBondContact CG-OH 3.21Å; E63-Y107 HydrophobicContact CB-CD2 4.26Å; E63-Y107 HydrophobicContact CB-CG 4.41Å; E63-Y107 HydrophobicContact CG-CD2 3.72Å; E63-Y107 HydrophobicContact CG-CE2 3.84Å; E63-Y107 HydrophobicContact CG-CG 4.36Å; Y107-L110 HydrophobicContact CD2-CD1 4.09Å; Y107-L110 PolarHBondContact O-N 3.16Å; Y107-M111 HydrophobicContact CD1-CE 4.26Å; Y107-M111 HydrophobicContact CE1-CE 3.7Å; Y107-M111 HydrophobicContact CE2-CE 4.16Å; Y107-F210 HydrophobicContact CD1-CB 3.96Å; Y107-F210 AromaticContact CD1-CD1 3.9Å; Y107-F210 HydrophobicContact CD1-CD1 3.9Å; Y107-F210 AromaticContact CD1-CD2 3.9Å; Y107-F210 HydrophobicContact CD1-CD2 3.9Å; Y107-F210 HydrophobicContact CD1-CE1 4.36Å; Y107-F210 HydrophobicContact CD1-CE2 4.34Å; Y107-F210 AromaticContact CD1-CG 3.67Å; Y107-F210 HydrophobicContact CD1-CG 3.67Å; Y107-F210 HydrophobicContact CE1-CB 3.99Å; Y107-F210 HydrophobicContact CE1-CD2 4.48Å; Y107-F210 HydrophobicContact CE1-CG 4.2Å; Y107-V214 HydrophobicContact CE1-CG2 4.13Å
108A77.9Confident69Low39 Ų3963.6 Ų63.632%0.32242%0.423SS..Hα-helixtrans-63.4-40.7173.200000112G104 L110 M111 F210G104-A108 VanDerWaalsContact O-CB 3.3Å; G104-A108 WeakPolarHBondContact O-CB 3.44Å; G104-A108 PolarHBondContact O-N 2.66Å; A108-L110 VanDerWaalsContact C-N 3.27Å; A108-L110 PolarHBondContact O-N 2.66Å; A108-M111 WeakPolarHBondContact O-CB 3.37Å; A108-M111 PolarHBondContact O-N 3.46Å; A108-F210 HydrophobicContact CB-CE1 4.46Å
109A83.9Confident71.5Confident56 Ų5667.8 Ų67.846%0.46344%0.441SS..Hα-helixtrans-62.9-32.9177.800000112.7A105 A106 M111 D112A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 2.72Å; A106-A109 PolarHBondContact O-N 3.07Å; A109-M111 PolarHBondContact O-N 3.31Å; A109-D112 PolarHBondContact O-N 2.96Å; A109-D112 VanDerWaalsContact O-N 3.14Å
110L85.3Confident73.7Confident53 Ų5367.8 Ų67.828%0.27743%0.434SS..Hα-helixtrans-62.4-22.9173.8-66.5175000112.9A106 Y107 A108 D112 P136 V137A106-L110 PolarHBondContact O-N 3.12Å; Y107-L110 HydrophobicContact CD2-CD1 4.09Å; Y107-L110 PolarHBondContact O-N 3.16Å; A108-L110 VanDerWaalsContact C-N 3.27Å; A108-L110 PolarHBondContact O-N 2.66Å; L110-D112 VanDerWaalsContact C-N 3.35Å; L110-P136 HydrophobicContact CB-CG 4.07Å; L110-V137 WeakPolarHBondContact O-CG2 3.36Å
111M87.6Confident75.9Confident14 Ų1466.9 Ų66.97%0.06943%0.428CS..THydrogen-bonded Turntrans-81.3-15.4178.1-58.3-59.8127.500113.3Y107 A108 A109 E113 P136 A213 V214 V217Y107-M111 HydrophobicContact CD1-CE 4.26Å; Y107-M111 HydrophobicContact CE1-CE 3.7Å; Y107-M111 HydrophobicContact CE2-CE 4.16Å; A108-M111 WeakPolarHBondContact O-CB 3.37Å; A108-M111 PolarHBondContact O-N 3.46Å; A109-M111 PolarHBondContact O-N 3.31Å; M111-E113 VanDerWaalsContact C-N 3.32Å; M111-P136 HydrophobicContact CE-CB 3.7Å; M111-P136 HydrophobicContact CE-CG 3.2Å; M111-P136 HydrophobicContact SD-CG 4.41Å; M111-A213 HydrophobicContact CB-CB 4.15Å; M111-A213 HydrophobicContact CG-CB 3.86Å; M111-V214 HydrophobicContact CE-CG2 3.79Å; M111-V214 HydrophobicContact CG-CG2 4.46Å; M111-V214 HydrophobicContact SD-CB 4.14Å; M111-V214 HydrophobicContact SD-CG2 3.4Å; M111-V214 WeakPolarHBondContact SD-CG2 3.33Å; M111-V217 HydrophobicContact CB-CG2 4.17Å; M111-V217 WeakPolarHBondContact O-CG2 3.37Å; M111-V217 HydrophobicContact SD-CG2 4.18Å
112D85.4Confident78.1Confident140 Ų14064.8 Ų64.875%0.74941%0.41SS*.THydrogen-bonded Turntrans-89.4-0.8176.9-66.9-33.2000112.3A109 L110A109-D112 PolarHBondContact O-N 2.96Å; A109-D112 VanDerWaalsContact O-N 3.14Å; L110-D112 VanDerWaalsContact C-N 3.35Å
113E89Confident80.3Confident93 Ų9359.9 Ų59.944%0.43538%0.378SS..  trans-65.8154.7174.1-66-173.8168.400111.6M111 V137M111-E113 VanDerWaalsContact C-N 3.32Å; E113-V137 HydrophobicContact CB-CB 4.34Å; E113-V137 HydrophobicContact CB-CG2 4.19Å; E113-V137 WeakPolarHBondContact O-CG1 3.34Å
114V86.8Confident82.2Confident130 Ų13062.5 Ų62.579%0.78838%0.383SS*.  trans-106.8129.6174.8-1790000108
115P89.2Confident83.5Confident16 Ų1663 Ų6310%0.10438%0.38CS..  trans-67.5141.6179.428.7-34.2000111.1I117 V137 A141P115-I117 PolarHBondContact O-N 3.18Å; P115-V137 HydrophobicContact CB-CG1 4.13Å; P115-V137 HydrophobicContact CG-CG1 4.23Å; P115-A141 HydrophobicContact CB-CB 3.69Å; P115-A141 HydrophobicContact CG-CB 4.22Å
116S89.2Confident84.4Confident60 Ų6064.3 Ų64.342%0.4238%0.38SS..  trans-72121.4167.950.10000110.4L124 Q138S116-L124 PolarHBondContact O-N 3.2Å; S116-Q138 PolarHBondContact O-NE2 2.93Å; S116-Q138 PolarHBondContact OG-NE2 3.27Å; S116-Q138 VanDerWaalsContact OG-NE2 3.14Å; S116-Q138 PolarHBondContact OG-OE1 3.27Å; S116-Q138 VanDerWaalsContact OG-OE1 3.05Å
117I89.4Confident84.6Confident85 Ų8564.6 Ų64.644%0.43637%0.372SS..BIsolated β-bridgetrans-110.6132.1-179.9-59.2168.8000108.1P115P115-I117 PolarHBondContact O-N 3.18Å
118A86.5Confident84.5Confident35 Ų3570.4 Ų70.429%0.28940%0.404SS..  trans-82.4170.8176.300000112N120 C121 C122A118-N120 WeakPolarHBondContact CB-OD1 3.49Å; A118-N120 PolarHBondContact O-N 3.43Å; A118-N120 VanDerWaalsContact O-N 3.1Å; A118-C121 WeakPolarHBondContact O-CA 3.44Å; A118-C121 PolarHBondContact O-N 3.02Å; A118-C122 PolarHBondContact N-O 3.02Å
119D80.1Confident84.5Confident175 Ų17570.5 Ų70.594%0.93640%0.399SS*.THydrogen-bonded Turntrans-61.1-22.7-176.9-66.2-23.4000113.9C121D119-C121 PolarHBondContact O-N 2.67Å
120N79.3Confident84.1Confident91 Ų9176.8 Ų76.849%0.48742%0.419SS..THydrogen-bonded Turntrans-81.311.2174.668.3-7.8000113.3A118 C122A118-N120 WeakPolarHBondContact CB-OD1 3.49Å; A118-N120 PolarHBondContact O-N 3.43Å; A118-N120 VanDerWaalsContact O-N 3.1Å; N120-C122 PolarHBondContact O-N 3.38Å; N120-C122 VanDerWaalsContact O-N 3.14Å; N120-C122 WeakPolarHBondContact OD1-CB 3.49Å; N120-C122 PolarHBondContact OD1-N 3.26Å; N120-C122 VanDerWaalsContact OD1-N 3.08Å
121C84.3Confident83.8Confident61 Ų6180.6 Ų80.641%0.41244%0.435SS..SBendtrans638-176-56.90000115.3A118 D119 R224 L228A118-C121 WeakPolarHBondContact O-CA 3.44Å; A118-C121 PolarHBondContact O-N 3.02Å; D119-C121 PolarHBondContact O-N 2.67Å; C121-R224 PolarHBondContact O-NH1 3.19Å; C121-L228 HydrophobicContact CB-CD1 3.76Å; C121-L228 HydrophobicContact CB-CD2 4.15Å
122C87Confident83.5Confident15 Ų1580.6 Ų80.610%0.10144%0.435CS..SBendtrans-94.3155.5172.8-59.50000110.1L7 A118 N120 D145L7-C122 HydrophobicContact CD2-CB 4.08Å; A118-C122 PolarHBondContact N-O 3.02Å; N120-C122 PolarHBondContact O-N 3.38Å; N120-C122 VanDerWaalsContact O-N 3.14Å; N120-C122 WeakPolarHBondContact OD1-CB 3.49Å; N120-C122 PolarHBondContact OD1-N 3.26Å; N120-C122 VanDerWaalsContact OD1-N 3.08Å; C122-D145 HydrophobicContact CB-CB 4.41Å
123A88Confident83.2Confident2 Ų275.7 Ų75.72%0.01741%0.41CS..BIsolated β-bridgetrans-59.6141.7173.600000110.8L7 E125 A141 V142 D145L7-A123 WeakPolarHBondContact CD2-O 3.45Å; A123-E125 PolarHBondContact O-N 3.38Å; A123-A141 HydrophobicContact CB-CB 3.71Å; A123-V142 HydrophobicContact CB-CB 4.5Å; A123-V142 HydrophobicContact CB-CG2 3.8Å; A123-D145 WeakPolarHBondContact CB-OD2 3.31Å; A123-D145 PolarHBondContact N-OD2 2.85Å
124L84.6Confident82.9Confident91 Ų9174.6 Ų74.648%0.47641%0.413SS..PPolyproline II helixtrans-68.9117.3174.4-175.166000110.1S116 Q138S116-L124 PolarHBondContact O-N 3.2Å; L124-Q138 PolarHBondContact O-NE2 3.12Å
125E84.4Confident82.9Confident27 Ų2772.1 Ų72.113%0.12639%0.392CS..  trans-107.999.6170.6-173.7177.9-12300108.5H5 F6 L7 H8 A123 L127 V142H5-E125 VanDerWaalsContact C-OE1 3.3Å; H5-E125 WeakPolarHBondContact CA-OE1 3.32Å; F6-E125 PolarHBondContact N-OE1 3.17Å; L7-E125 WeakPolarHBondContact CA-OE2 3.44Å; L7-E125 HydrophobicContact CB-CB 4.26Å; L7-E125 VanDerWaalsContact CB-OE2 3.31Å; L7-E125 WeakPolarHBondContact CB-OE2 3.43Å; L7-E125 HydrophobicContact CD2-CB 4.28Å; L7-E125 PolarHBondContact N-OE1 2.64Å; L7-E125 VanDerWaalsContact N-OE1 3.15Å; L7-E125 PolarHBondContact N-OE2 3.38Å; L7-E125 VanDerWaalsContact N-OE2 3.12Å; H8-E125 PolarHBondContact N-OE2 2.95Å; A123-E125 PolarHBondContact O-N 3.38Å; E125-L127 PolarHBondContact O-N 2.7Å; E125-V142 HydrophobicContact CB-CG1 4.18Å; E125-V142 HydrophobicContact CB-CG2 4.19Å; E125-V142 HydrophobicContact CG-CG1 4.07Å; E125-V142 VanDerWaalsContact OE1-CG1 3.29Å; E125-V142 WeakPolarHBondContact OE1-CG1 3.22Å
126D80.6Confident82.9Confident80 Ų8071.5 Ų71.543%0.42839%0.388SS..  trans-80.4114.5171.6-174.5-5.5000109.2N128 D129D126-N128 PolarHBondContact O-N 3.26Å; D126-N128 VanDerWaalsContact O-N 3.07Å; D126-N128 PolarHBondContact OD1-N 3.16Å; D126-N128 PolarHBondContact OD1-ND2 3.32Å; D126-D129 HydrophobicContact CB-CB 4Å; D126-D129 PolarHBondContact O-N 3.18Å
127L78.2Confident83.1Confident77 Ų7768.8 Ų68.840%0.40337%0.368SS..THydrogen-bonded Turntrans-65.7-8.2-179-54.9175.4000113.2H5 H8 E125H5-L127 HydrophobicContact CB-CD2 3.76Å; H5-L127 PolarHBondContact CE1-O 3.28Å; H5-L127 VanDerWaalsContact CG-CD2 3.45Å; H5-L127 PolarHBondContact NE2-O 2.93Å; H8-L127 HydrophobicContact CB-CD2 4.12Å; E125-L127 PolarHBondContact O-N 2.7Å
128N78.6Confident83.2Confident138 Ų13865.5 Ų65.574%0.73835%0.351SS*.THydrogen-bonded Turntrans-105.3-4176-48.7-73.5000113.1D126 E130D126-N128 PolarHBondContact O-N 3.26Å; D126-N128 VanDerWaalsContact O-N 3.07Å; D126-N128 PolarHBondContact OD1-N 3.16Å; D126-N128 PolarHBondContact OD1-ND2 3.32Å; N128-E130 PolarHBondContact O-N 3.08Å; N128-E130 VanDerWaalsContact O-N 3.17Å
129D78.1Confident83.6Confident42 Ų4263.9 Ų63.923%0.22534%0.338CS..  trans-8487.1-179.3-171.40.4000111.3D126 E131 L132 K135D126-D129 HydrophobicContact CB-CB 4Å; D126-D129 PolarHBondContact O-N 3.18Å; D129-E131 PolarHBondContact O-N 3.31Å; D129-E131 WeakPolarHBondContact OD1-CA 3.34Å; D129-E131 WeakPolarHBondContact OD1-CB 3.49Å; D129-E131 PolarHBondContact OD1-N 2.97Å; D129-L132 HydrophobicContact CB-CB 4.37Å; D129-L132 WeakPolarHBondContact O-CB 3.48Å; D129-L132 PolarHBondContact O-N 3.03Å; D129-L132 PolarHBondContact OD1-N 2.95Å; D129-K135 IonicContact OD1-NZ 3.34Å; D129-K135 IonicContact OD2-NZ 3.78Å; D129-K135 PolarHBondContact OD2-NZ 3.28Å
130E73.8Confident84.3Confident187 Ų18755.6 Ų55.687%0.87429%0.294SS*.THydrogen-bonded Turntrans-63.5-21.3174.8-64-158.2155.900113N128N128-E130 PolarHBondContact O-N 3.08Å; N128-E130 VanDerWaalsContact O-N 3.17Å
131E79.3Confident85Confident133 Ų13351.3 Ų51.362%0.62127%0.27SS*.THydrogen-bonded Turntrans-88.6-0.4-179.3-66.8-173.4172.600113D129 T133 S134D129-E131 PolarHBondContact O-N 3.31Å; D129-E131 WeakPolarHBondContact OD1-CA 3.34Å; D129-E131 WeakPolarHBondContact OD1-CB 3.49Å; D129-E131 PolarHBondContact OD1-N 2.97Å; E131-T133 PolarHBondContact O-N 3.17Å; E131-S134 WeakPolarHBondContact O-CA 3.27Å; E131-S134 WeakPolarHBondContact O-CB 3.42Å; E131-S134 PolarHBondContact O-N 3.47Å; E131-S134 PolarHBondContact O-OG 3.24Å
132L81.4Confident85.4Confident14 Ų1448.4 Ų48.47%0.07325%0.251CS..G310 helixtrans-51.2-37.4-177.9-178.363.7000112.4D129 S134 K135 Q138 Y139D129-L132 HydrophobicContact CB-CB 4.37Å; D129-L132 WeakPolarHBondContact O-CB 3.48Å; D129-L132 PolarHBondContact O-N 3.03Å; D129-L132 PolarHBondContact OD1-N 2.95Å; L132-S134 PolarHBondContact O-N 3.31Å; L132-S134 VanDerWaalsContact O-N 3.17Å; L132-K135 PolarHBondContact O-N 2.96Å; L132-Q138 HydrophobicContact CD1-CB 4.12Å; L132-Q138 HydrophobicContact CD1-CG 3.6Å; L132-Y139 HydrophobicContact CD2-CD2 3.94Å; L132-Y139 HydrophobicContact CG-CD2 3.88Å
133T79.3Confident85.8Confident37 Ų3747.7 Ų47.723%0.22725%0.246CC..G310 helixtrans-66-19.3179.673.70000113.9K4 Q55 K59 E131 Y139K4-T133 HydrophobicContact CD-CG2 3.97Å; Q55-T133 PolarHBondContact NE2-O 3.04Å; Q55-T133 VanDerWaalsContact NE2-O 3.09Å; K59-T133 PolarHBondContact NZ-O 3.27Å; E131-T133 PolarHBondContact O-N 3.17Å; T133-Y139 HydrophobicContact CG2-CE2 4.07Å
134S82Confident86.2Confident70 Ų7047.6 Ų47.649%0.4925%0.245SC..G310 helixtrans-84.5-1217575.70000113.6E131 L132 P136E131-S134 WeakPolarHBondContact O-CA 3.27Å; E131-S134 WeakPolarHBondContact O-CB 3.42Å; E131-S134 PolarHBondContact O-N 3.47Å; E131-S134 PolarHBondContact O-OG 3.24Å; L132-S134 PolarHBondContact O-N 3.31Å; L132-S134 VanDerWaalsContact O-N 3.17Å; S134-P136 WeakPolarHBondContact O-CD 3.43Å
135K88.1Confident86.7Confident78 Ų7843.3 Ų43.334%0.33922%0.223SC..  trans-100.984.3175.1-62.1171.9-168.9159.70109.1D129 L132 V137 Q138 Y139D129-K135 IonicContact OD1-NZ 3.34Å; D129-K135 IonicContact OD2-NZ 3.78Å; D129-K135 PolarHBondContact OD2-NZ 3.28Å; L132-K135 PolarHBondContact O-N 2.96Å; K135-V137 PolarHBondContact O-N 2.91Å; K135-Q138 HydrophobicContact CB-CB 4.17Å; K135-Q138 PolarHBondContact O-N 3.47Å; K135-Y139 WeakPolarHBondContact O-CB 3.38Å; K135-Y139 PolarHBondContact O-N 2.96Å
136P88.7Confident87.1Confident4 Ų442 Ų423%0.02622%0.217CC..Hα-helixtrans-61.3-40.7-166.423.6-34.1000112.9L110 M111 S134 I140L110-P136 HydrophobicContact CB-CG 4.07Å; M111-P136 HydrophobicContact CE-CB 3.7Å; M111-P136 HydrophobicContact CE-CG 3.2Å; M111-P136 HydrophobicContact SD-CG 4.41Å; S134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-I140 VanDerWaalsContact O-CB 3.3Å; P136-I140 WeakPolarHBondContact O-CB 3.49Å; P136-I140 WeakPolarHBondContact O-CD1 3.39Å; P136-I140 WeakPolarHBondContact O-CG1 3.44Å; P136-I140 PolarHBondContact O-N 3.26Å
137V92.7Very high87.7Confident2 Ų238.2 Ų38.21%0.01220%0.197CC..Hα-helixtrans-63.5-49.2179.8176.20000111.2L110 E113 P115 K135 I140 A141 V217L110-V137 WeakPolarHBondContact O-CG2 3.36Å; E113-V137 HydrophobicContact CB-CB 4.34Å; E113-V137 HydrophobicContact CB-CG2 4.19Å; E113-V137 WeakPolarHBondContact O-CG1 3.34Å; P115-V137 HydrophobicContact CB-CG1 4.13Å; P115-V137 HydrophobicContact CG-CG1 4.23Å; K135-V137 PolarHBondContact O-N 2.91Å; V137-I140 PolarHBondContact O-N 3.36Å; V137-A141 PolarHBondContact O-N 3.04Å; V137-V217 HydrophobicContact CB-CG1 4.21Å; V137-V217 HydrophobicContact CG1-CG1 4.03Å; V137-V217 HydrophobicContact CG2-CG1 3.9Å; V137-V217 HydrophobicContact CG2-CG2 4.12Å
138Q92.8Very high88.3Confident16 Ų1634.6 Ų34.68%0.07518%0.177CC..Hα-helixtrans-63-45.9179.2-17360.62500111.4S116 L124 L132 K135 I140 A141 V142S116-Q138 PolarHBondContact O-NE2 2.93Å; S116-Q138 PolarHBondContact OG-NE2 3.27Å; S116-Q138 VanDerWaalsContact OG-NE2 3.14Å; S116-Q138 PolarHBondContact OG-OE1 3.27Å; S116-Q138 VanDerWaalsContact OG-OE1 3.05Å; L124-Q138 PolarHBondContact O-NE2 3.12Å; L132-Q138 HydrophobicContact CD1-CB 4.12Å; L132-Q138 HydrophobicContact CD1-CG 3.6Å; K135-Q138 HydrophobicContact CB-CB 4.17Å; K135-Q138 PolarHBondContact O-N 3.47Å; Q138-I140 PolarHBondContact O-N 3.45Å; Q138-A141 WeakPolarHBondContact O-CB 3.25Å; Q138-A141 PolarHBondContact O-N 3.17Å; Q138-V142 WeakPolarHBondContact O-CG2 3.41Å; Q138-V142 PolarHBondContact O-N 2.89Å
139Y93.7Very high88.8Confident1 Ų131.1 Ų31.10%0.00416%0.159CC..Hα-helixtrans-66.1-39.4-179-172.3-116.7000112.2F6 E51 Q55 L132 T133 K135 A141 V142 L143F6-Y139 HydrophobicContact CD2-CE2 4.4Å; F6-Y139 HydrophobicContact CE2-CE2 4.36Å; F6-Y139 WeakPolarHBondContact CE2-OH 3.47Å; E51-Y139 HydrophobicContact CB-CE1 4.29Å; E51-Y139 PolarHBondContact OE2-OH 3.06Å; Q55-Y139 HydrophobicContact CG-CD1 3.66Å; Q55-Y139 HydrophobicContact CG-CE1 3.84Å; Q55-Y139 VanDerWaalsContact NE2-CE1 3.31Å; L132-Y139 HydrophobicContact CD2-CD2 3.94Å; L132-Y139 HydrophobicContact CG-CD2 3.88Å; T133-Y139 HydrophobicContact CG2-CE2 4.07Å; K135-Y139 WeakPolarHBondContact O-CB 3.38Å; K135-Y139 PolarHBondContact O-N 2.96Å; Y139-A141 VanDerWaalsContact C-N 3.31Å; Y139-A141 PolarHBondContact O-N 3.2Å; Y139-V142 PolarHBondContact O-N 2.95Å; Y139-L143 HydrophobicContact CD1-CD1 3.72Å; Y139-L143 HydrophobicContact CD1-CG 4.4Å; Y139-L143 HydrophobicContact CE1-CD1 3.6Å; Y139-L143 HydrophobicContact CE1-CG 4.34Å; Y139-L143 HydrophobicContact CG-CD1 4.39Å; Y139-L143 VanDerWaalsContact O-CG 3.27Å; Y139-L143 WeakPolarHBondContact O-CG 3.48Å; Y139-L143 PolarHBondContact O-N 3.17Å
140I94.9Very high89.3Confident2 Ų230.5 Ų30.51%0.0116%0.155CC..Hα-helixtrans-60.8-42.9172.8-72.3166.6000110.5Q55 P136 V137 Q138 V142 L143 V144 V214 V217 L218 Q221Q55-I140 HydrophobicContact CB-CG1 4.48Å; P136-I140 VanDerWaalsContact O-CB 3.3Å; P136-I140 WeakPolarHBondContact O-CB 3.49Å; P136-I140 WeakPolarHBondContact O-CD1 3.39Å; P136-I140 WeakPolarHBondContact O-CG1 3.44Å; P136-I140 PolarHBondContact O-N 3.26Å; V137-I140 PolarHBondContact O-N 3.36Å; Q138-I140 PolarHBondContact O-N 3.45Å; I140-V142 PolarHBondContact O-N 2.94Å; I140-L143 PolarHBondContact O-N 2.95Å; I140-V144 HydrophobicContact CG2-CG2 4.18Å; I140-V144 WeakPolarHBondContact O-CB 3.25Å; I140-V144 VanDerWaalsContact O-CG2 3.27Å; I140-V144 WeakPolarHBondContact O-CG2 3.19Å; I140-V144 PolarHBondContact O-N 3.31Å; I140-V214 HydrophobicContact CD1-CG1 3.64Å; I140-V217 HydrophobicContact CD1-CG1 4.32Å; I140-V217 HydrophobicContact CG2-CG1 4.48Å; I140-L218 HydrophobicContact CG2-CB 4.25Å; I140-L218 HydrophobicContact CG2-CD1 3.56Å; I140-Q221 HydrophobicContact CG2-CB 4.38Å; I140-Q221 HydrophobicContact CG2-CG 4.04Å
141A94.4Very high90Very high0 Ų024.4 Ų24.40%014%0.142CC..Hα-helixtrans-58.9-47176.800000111.9P115 A123 V137 Q138 Y139 L143 V144 D145 Q221P115-A141 HydrophobicContact CB-CB 3.69Å; P115-A141 HydrophobicContact CG-CB 4.22Å; A123-A141 HydrophobicContact CB-CB 3.71Å; V137-A141 PolarHBondContact O-N 3.04Å; Q138-A141 WeakPolarHBondContact O-CB 3.25Å; Q138-A141 PolarHBondContact O-N 3.17Å; Y139-A141 VanDerWaalsContact C-N 3.31Å; Y139-A141 PolarHBondContact O-N 3.2Å; A141-L143 PolarHBondContact O-N 3.21Å; A141-V144 PolarHBondContact O-N 3.34Å; A141-D145 PolarHBondContact O-N 3.32Å; A141-Q221 HydrophobicContact CB-CG 4.09Å
142V94Very high90.6Very high0 Ų019.5 Ų19.50%012%0.12CC..Hα-helixtrans-57.5-46.7175.6171.60000111.6L7 A123 E125 Q138 Y139 I140 V144 D145 S146L7-V142 HydrophobicContact CB-CG1 3.98Å; A123-V142 HydrophobicContact CB-CB 4.5Å; A123-V142 HydrophobicContact CB-CG2 3.8Å; E125-V142 HydrophobicContact CB-CG1 4.18Å; E125-V142 HydrophobicContact CB-CG2 4.19Å; E125-V142 HydrophobicContact CG-CG1 4.07Å; E125-V142 VanDerWaalsContact OE1-CG1 3.29Å; E125-V142 WeakPolarHBondContact OE1-CG1 3.22Å; Q138-V142 WeakPolarHBondContact O-CG2 3.41Å; Q138-V142 PolarHBondContact O-N 2.89Å; Y139-V142 PolarHBondContact O-N 2.95Å; I140-V142 PolarHBondContact O-N 2.94Å; V142-V144 PolarHBondContact O-N 3.4Å; V142-D145 PolarHBondContact O-N 3.18Å; V142-S146 WeakPolarHBondContact O-CB 3.34Å; V142-S146 PolarHBondContact O-N 2.62Å; V142-S146 PolarHBondContact O-OG 2.86Å
143L95.2Very high91.1Very high0 Ų019.1 Ų19.10%012%0.118CC..Hα-helixtrans-64.8-40.8179.7-67.2172.5000111.9F6 I48 E51 I52 Y139 I140 A141 S146 L147F6-L143 HydrophobicContact CB-CD2 4.27Å; F6-L143 HydrophobicContact CD2-CD2 3.51Å; F6-L143 HydrophobicContact CE2-CD2 4.01Å; F6-L143 HydrophobicContact CG-CD2 3.94Å; I48-L143 HydrophobicContact CG1-CD2 4.3Å; I48-L143 HydrophobicContact CG2-CB 4.06Å; I48-L143 HydrophobicContact CG2-CD2 4.03Å; E51-L143 HydrophobicContact CB-CD1 3.98Å; E51-L143 HydrophobicContact CB-CD2 4.2Å; I52-L143 HydrophobicContact CD1-CB 4.22Å; I52-L143 HydrophobicContact CG1-CB 3.94Å; I52-L143 HydrophobicContact CG1-CD1 3.75Å; I52-L143 HydrophobicContact CG1-CG 4.44Å; Y139-L143 HydrophobicContact CD1-CD1 3.72Å; Y139-L143 HydrophobicContact CD1-CG 4.4Å; Y139-L143 HydrophobicContact CE1-CD1 3.6Å; Y139-L143 HydrophobicContact CE1-CG 4.34Å; Y139-L143 HydrophobicContact CG-CD1 4.39Å; Y139-L143 VanDerWaalsContact O-CG 3.27Å; Y139-L143 WeakPolarHBondContact O-CG 3.48Å; Y139-L143 PolarHBondContact O-N 3.17Å; I140-L143 PolarHBondContact O-N 2.95Å; A141-L143 PolarHBondContact O-N 3.21Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 2.75Å; L143-L147 WeakPolarHBondContact O-CG 3.45Å; L143-L147 PolarHBondContact O-N 3.16Å; L143-L147 VanDerWaalsContact O-N 3.07Å
144V95.7Very high91.7Very high0 Ų021.4 Ų21.40%013%0.129CC..Hα-helixtrans-70.5-41.7179.3176.40000111.6I140 A141 V142 S146 L147 G148 L153 L218 Q221 F222 V225I140-V144 HydrophobicContact CG2-CG2 4.18Å; I140-V144 WeakPolarHBondContact O-CB 3.25Å; I140-V144 VanDerWaalsContact O-CG2 3.27Å; I140-V144 WeakPolarHBondContact O-CG2 3.19Å; I140-V144 PolarHBondContact O-N 3.31Å; A141-V144 PolarHBondContact O-N 3.34Å; V142-V144 PolarHBondContact O-N 3.4Å; V144-S146 VanDerWaalsContact C-N 3.28Å; V144-S146 PolarHBondContact O-N 3.28Å; V144-L147 PolarHBondContact O-N 2.93Å; V144-G148 PolarHBondContact O-N 3.41Å; V144-L153 HydrophobicContact CG1-CD2 3.94Å; V144-L218 HydrophobicContact CG2-CD1 3.77Å; V144-Q221 HydrophobicContact CB-CB 4.09Å; V144-Q221 HydrophobicContact CG1-CB 4.16Å; V144-Q221 HydrophobicContact CG2-CB 4.01Å; V144-F222 HydrophobicContact CB-CD2 4.44Å; V144-F222 HydrophobicContact CG1-CD2 3.81Å; V144-F222 HydrophobicContact CG1-CE2 4.19Å; V144-F222 HydrophobicContact CG1-CG 4.2Å; V144-F222 HydrophobicContact CG2-CD2 3.65Å; V144-F222 HydrophobicContact CG2-CE2 3.6Å; V144-V225 HydrophobicContact CG1-CB 4.3Å; V144-V225 HydrophobicContact CG1-CG2 3.9Å
145D94.4Very high92.2Very high2 Ų222 Ų221%0.01112%0.12CC..Hα-helixtrans-61.9-38.7173.5-76.9-49.6000111.4L7 C122 A123 A141 V142 G148 L149 R224 V225L7-D145 HydrophobicContact CD1-CB 3.74Å; C122-D145 HydrophobicContact CB-CB 4.41Å; A123-D145 WeakPolarHBondContact CB-OD2 3.31Å; A123-D145 PolarHBondContact N-OD2 2.85Å; A141-D145 PolarHBondContact O-N 3.32Å; V142-D145 PolarHBondContact O-N 3.18Å; D145-G148 CarbonylContact O-C 3.58Å; D145-G148 WeakPolarHBondContact O-CA 3.21Å; D145-G148 PolarHBondContact O-N 2.9Å; D145-G148 VanDerWaalsContact O-N 3.12Å; D145-L149 PolarHBondContact O-N 3.39Å; D145-R224 VanDerWaalsContact CG-NH2 3.34Å; D145-R224 IonicContact OD1-CZ 2.81Å; D145-R224 IonicContact OD1-NH1 3.09Å; D145-R224 PolarHBondContact OD1-NH1 3.17Å; D145-R224 IonicContact OD1-NH2 3.7Å; D145-R224 PolarHBondContact OD1-NH2 2.65Å; D145-R224 IonicContact OD2-CZ 3.63Å; D145-R224 IonicContact OD2-NH1 2.74Å; D145-R224 PolarHBondContact OD2-NH1 3.19Å; D145-R224 IonicContact OD2-NH2 3.25Å; D145-R224 PolarHBondContact OD2-NH2 3.29Å; D145-V225 WeakPolarHBondContact OD1-CG2 3.33Å
146S93.5Very high92.5Very high0 Ų018.2 Ų18.20%010%0.104CC..Hα-helixtrans-57.8-49.7173.8-54.60000111.6F6 L7 V142 L143 V144 G148 L149 M150F6-S146 VanDerWaalsContact C-OG 3.3Å; L7-S146 WeakPolarHBondContact CA-OG 3.3Å; L7-S146 PolarHBondContact N-OG 2.83Å; L7-S146 VanDerWaalsContact N-OG 3.16Å; V142-S146 WeakPolarHBondContact O-CB 3.34Å; V142-S146 PolarHBondContact O-N 2.62Å; V142-S146 PolarHBondContact O-OG 2.86Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 2.75Å; V144-S146 VanDerWaalsContact C-N 3.28Å; V144-S146 PolarHBondContact O-N 3.28Å; S146-G148 VanDerWaalsContact C-N 3.25Å; S146-G148 PolarHBondContact O-N 3.37Å; S146-L149 PolarHBondContact O-N 2.96Å; S146-M150 VanDerWaalsContact O-CG 3.31Å; S146-M150 WeakPolarHBondContact O-CG 3.43Å; S146-M150 PolarHBondContact O-N 3.26Å; S146-M150 VanDerWaalsContact O-N 3.15Å
147L93.9Very high92.8Very high0 Ų018.1 Ų18.10%010%0.103CC..Hα-helixtrans-62.3-35.6174.9-70.7173.2000112.4Y45 I48 I49 I52 L143 V144 M150 G151 L152 L153 A156 F222Y45-L147 HydrophobicContact CD2-CD2 3.73Å; Y45-L147 HydrophobicContact CE2-CD2 4.05Å; I48-L147 HydrophobicContact CB-CD2 4.28Å; I48-L147 HydrophobicContact CD1-CD2 4.42Å; I48-L147 HydrophobicContact CG2-CD1 3.93Å; I48-L147 HydrophobicContact CG2-CD2 3.83Å; I48-L147 HydrophobicContact CG2-CG 3.65Å; I49-L147 HydrophobicContact CD1-CD1 4.43Å; I52-L147 HydrophobicContact CD1-CD1 3.62Å; L143-L147 WeakPolarHBondContact O-CG 3.45Å; L143-L147 PolarHBondContact O-N 3.16Å; L143-L147 VanDerWaalsContact O-N 3.07Å; V144-L147 PolarHBondContact O-N 2.93Å; L147-M150 PolarHBondContact O-N 2.97Å; L147-G151 PolarHBondContact O-N 3.21Å; L147-G151 VanDerWaalsContact O-N 3.14Å; L147-L152 PolarHBondContact O-N 2.88Å; L147-L153 HydrophobicContact CB-CD2 3.69Å; L147-L153 HydrophobicContact CB-CG 4.36Å; L147-A156 HydrophobicContact CD1-CB 3.67Å; L147-A156 HydrophobicContact CD2-CB 4.43Å; L147-F222 HydrophobicContact CD1-CZ 4.32Å
148G90.6Very high92.7Very high0 Ų022.3 Ų22.30%012%0.119CC..Hα-helixtrans-55.6-59.5171.400000110.6V144 D145 S146 M150 G151 R229V144-G148 PolarHBondContact O-N 3.41Å; D145-G148 CarbonylContact O-C 3.58Å; D145-G148 WeakPolarHBondContact O-CA 3.21Å; D145-G148 PolarHBondContact O-N 2.9Å; D145-G148 VanDerWaalsContact O-N 3.12Å; S146-G148 VanDerWaalsContact C-N 3.25Å; S146-G148 PolarHBondContact O-N 3.37Å; G148-M150 PolarHBondContact O-N 3.19Å; G148-G151 WeakPolarHBondContact O-CA 3.32Å; G148-G151 PolarHBondContact O-N 3.25Å; G148-R229 PolarHBondContact O-NH1 3.38Å; G148-R229 PolarHBondContact O-NH2 3.37Å; G148-R229 VanDerWaalsContact O-NH2 3.1Å
149L88.4Confident92.8Very high66 Ų6624.6 Ų24.635%0.34613%0.13SC..Hα-helixtrans-56.1-34.6-178.1-70.3179.3000112.4L7 A10 E11 D145 S146 G151 R229L7-L149 HydrophobicContact CD1-CD1 3.61Å; L7-L149 HydrophobicContact CD1-CG 4.44Å; A10-L149 HydrophobicContact CB-CB 4.32Å; A10-L149 HydrophobicContact CB-CD1 4.41Å; E11-L149 HydrophobicContact CB-CD1 4.48Å; E11-L149 HydrophobicContact CG-CD1 3.39Å; D145-L149 PolarHBondContact O-N 3.39Å; S146-L149 PolarHBondContact O-N 2.96Å; L149-G151 VanDerWaalsContact C-N 3.28Å; L149-G151 PolarHBondContact O-N 3.45Å; L149-R229 VanDerWaalsContact N-NH2 3.13Å
150M89Confident92.8Very high29 Ų2924.6 Ų24.614%0.14313%0.129CC..THydrogen-bonded Turntrans-75-13.4175.4-62.2167.977.900113.9A10 N41 L44 I48 S146 L147 G148 L152A10-M150 HydrophobicContact CB-CG 4.16Å; A10-M150 HydrophobicContact CB-SD 4.47Å; N41-M150 WeakPolarHBondContact O-CE 3.43Å; N41-M150 WeakPolarHBondContact OD1-CE 3.42Å; L44-M150 HydrophobicContact CB-CE 4.02Å; L44-M150 HydrophobicContact CD2-CE 3.95Å; L44-M150 HydrophobicContact CD2-SD 3.82Å; L44-M150 HydrophobicContact CG-CE 3.97Å; L44-M150 HydrophobicContact CG-SD 4.01Å; I48-M150 HydrophobicContact CD1-SD 3.93Å; S146-M150 VanDerWaalsContact O-CG 3.31Å; S146-M150 WeakPolarHBondContact O-CG 3.43Å; S146-M150 PolarHBondContact O-N 3.26Å; S146-M150 VanDerWaalsContact O-N 3.15Å; L147-M150 PolarHBondContact O-N 2.97Å; G148-M150 PolarHBondContact O-N 3.19Å; M150-L152 VanDerWaalsContact C-N 3.32Å; M150-L152 HydrophobicContact CB-CB 4.43Å; M150-L152 HydrophobicContact CB-CD1 4.03Å; M150-L152 HydrophobicContact CB-CG 4.03Å; M150-L152 HydrophobicContact CE-CD1 3.85Å
151G88.3Confident92.7Very high59 Ų5926 Ų2661%0.60814%0.138SC*.THydrogen-bonded Turntrans71.923.3-176.800000113.7L147 G148 L149L147-G151 PolarHBondContact O-N 3.21Å; L147-G151 VanDerWaalsContact O-N 3.14Å; G148-G151 WeakPolarHBondContact O-CA 3.32Å; G148-G151 PolarHBondContact O-N 3.25Å; L149-G151 VanDerWaalsContact C-N 3.28Å; L149-G151 PolarHBondContact O-N 3.45Å
152L91.6Very high92.6Very high29 Ų2933 Ų3315%0.15217%0.171CC..  trans-108.913.3-171.3-63.4178.1000113.9Y45 L147 M150 D154 R155 A156Y45-L152 HydrophobicContact CD2-CB 3.82Å; Y45-L152 HydrophobicContact CD2-CD1 3.48Å; Y45-L152 VanDerWaalsContact CD2-CD1 3.48Å; Y45-L152 HydrophobicContact CD2-CG 4.27Å; Y45-L152 HydrophobicContact CE2-CB 3.97Å; Y45-L152 HydrophobicContact CE2-CD1 4.33Å; Y45-L152 HydrophobicContact CG-CD1 3.91Å; L147-L152 PolarHBondContact O-N 2.88Å; M150-L152 VanDerWaalsContact C-N 3.32Å; M150-L152 HydrophobicContact CB-CB 4.43Å; M150-L152 HydrophobicContact CB-CD1 4.03Å; M150-L152 HydrophobicContact CB-CG 4.03Å; M150-L152 HydrophobicContact CE-CD1 3.85Å; L152-D154 VanDerWaalsContact C-N 3.35Å; L152-D154 PolarHBondContact O-N 3.1Å; L152-R155 PolarHBondContact O-N 3.1Å; L152-A156 WeakPolarHBondContact O-CB 3Å; L152-A156 PolarHBondContact O-N 3.25Å
153L92.5Very high92.5Very high6 Ų635 Ų353%0.03118%0.183CC..Hα-helixtrans-57.9-42.1-179.1-70.8171000113.1V144 L147 R155 A156 S157 F222 V225 L226V144-L153 HydrophobicContact CG1-CD2 3.94Å; L147-L153 HydrophobicContact CB-CD2 3.69Å; L147-L153 HydrophobicContact CB-CG 4.36Å; L153-R155 VanDerWaalsContact C-N 3.35Å; L153-R155 PolarHBondContact O-N 3.34Å; L153-A156 PolarHBondContact O-N 2.93Å; L153-S157 WeakPolarHBondContact O-CB 3.49Å; L153-S157 PolarHBondContact O-N 3.16Å; L153-S157 PolarHBondContact O-OG 2.93Å; L153-F222 HydrophobicContact CB-CD1 4.47Å; L153-F222 HydrophobicContact CB-CE1 4.22Å; L153-F222 HydrophobicContact CD2-CD1 3.92Å; L153-F222 HydrophobicContact CD2-CE1 3.67Å; L153-F222 HydrophobicContact CD2-CZ 4.1Å; L153-V225 HydrophobicContact CD1-CB 4.21Å; L153-V225 HydrophobicContact CD1-CG1 3.73Å; L153-L226 HydrophobicContact CB-CD2 4.19Å; L153-L226 HydrophobicContact CD1-CD2 3.72Å; L153-L226 HydrophobicContact CD1-CG 4.03Å
154D90.8Very high92.5Very high86 Ų8635.1 Ų35.146%0.4618%0.184SC..Hα-helixtrans-66.2-36.8178.117772.5000112.6L152 S157 R158L152-D154 VanDerWaalsContact C-N 3.35Å; L152-D154 PolarHBondContact O-N 3.1Å; D154-S157 PolarHBondContact O-OG 3.5Å; D154-S157 VanDerWaalsContact O-OG 3.05Å; D154-R158 WeakPolarHBondContact O-CB 3.44Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-N 3.45Å; D154-R158 PolarHBondContact O-NE 2.76Å; D154-R158 IonicContact OD1-NE 3.96Å; D154-R158 IonicContact OD2-CZ 2.71Å; D154-R158 IonicContact OD2-NE 3.73Å; D154-R158 PolarHBondContact OD2-NE 3.41Å; D154-R158 IonicContact OD2-NH2 3.32Å; D154-R158 PolarHBondContact OD2-NH2 3.14Å
155R93.5Very high92.4Very high81 Ų8140 Ų4031%0.30621%0.207SC..Hα-helixtrans-66.3-43.7174.2-172-170.8169.1171.5-9.2110.5E42 Y45 L152 L153 Q159E42-R155 VanDerWaalsContact CD-NH1 3.27Å; E42-R155 IonicContact OE1-CZ 2.69Å; E42-R155 IonicContact OE1-NH1 3.38Å; E42-R155 PolarHBondContact OE1-NH1 3.45Å; E42-R155 IonicContact OE1-NH2 3.64Å; E42-R155 IonicContact OE2-CZ 2.72Å; E42-R155 VanDerWaalsContact OE2-CZ 3.32Å; E42-R155 IonicContact OE2-NH1 3.16Å; E42-R155 PolarHBondContact OE2-NH1 2.83Å; E42-R155 IonicContact OE2-NH2 3.05Å; E42-R155 PolarHBondContact OE2-NH2 2.92Å; Y45-R155 HydrophobicContact CE1-CG 4.49Å; Y45-R155 HydrophobicContact CE2-CB 4.33Å; Y45-R155 HydrophobicContact CE2-CG 4.25Å; Y45-R155 WeakPolarHBondContact OH-CG 3.47Å; Y45-R155 PolarHBondContact OH-O 3.26Å; L152-R155 PolarHBondContact O-N 3.1Å; L153-R155 VanDerWaalsContact C-N 3.35Å; L153-R155 PolarHBondContact O-N 3.34Å; R155-Q159 WeakPolarHBondContact O-CB 3.47Å; R155-Q159 PolarHBondContact O-N 3.02Å
156A94.7Very high92.2Very high0 Ų044.5 Ų44.50%023%0.231CC..Hα-helixtrans-63.4-48.4179.300000112.1Y45 I49 L147 L152 L153 R158 Q159 L160 F222Y45-A156 HydrophobicContact CE2-CB 4.18Å; Y45-A156 WeakPolarHBondContact OH-CA 3.35Å; Y45-A156 PolarHBondContact OH-N 3.11Å; I49-A156 HydrophobicContact CD1-CB 3.63Å; L147-A156 HydrophobicContact CD1-CB 3.67Å; L147-A156 HydrophobicContact CD2-CB 4.43Å; L152-A156 WeakPolarHBondContact O-CB 3Å; L152-A156 PolarHBondContact O-N 3.25Å; L153-A156 PolarHBondContact O-N 2.93Å; A156-R158 PolarHBondContact O-N 3.46Å; A156-Q159 PolarHBondContact O-N 3.35Å; A156-L160 WeakPolarHBondContact O-CB 3.5Å; A156-L160 WeakPolarHBondContact O-CG 3.33Å; A156-L160 PolarHBondContact O-N 3.43Å; A156-F222 HydrophobicContact CB-CE1 4.35Å; A156-F222 HydrophobicContact CB-CZ 4.08Å
157S93.4Very high92.3Very high2 Ų246.3 Ų46.31%0.01424%0.239CC..Hα-helixtrans-60.5-45.2179.664.10000111.2L153 D154 L160 V161L153-S157 WeakPolarHBondContact O-CB 3.49Å; L153-S157 PolarHBondContact O-N 3.16Å; L153-S157 PolarHBondContact O-OG 2.93Å; D154-S157 PolarHBondContact O-OG 3.5Å; D154-S157 VanDerWaalsContact O-OG 3.05Å; S157-L160 PolarHBondContact O-N 2.98Å; S157-V161 WeakPolarHBondContact O-CG2 3.46Å; S157-V161 PolarHBondContact O-N 2.83Å
158R91.8Very high92.3Very high90 Ų9046.3 Ų46.334%0.3424%0.239SC..Hα-helixtrans-60-48.5175.6-73.6-174.7-78.5109.9-6.2112.4D154 A156 L160 V161 E162D154-R158 WeakPolarHBondContact O-CB 3.44Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-N 3.45Å; D154-R158 PolarHBondContact O-NE 2.76Å; D154-R158 IonicContact OD1-NE 3.96Å; D154-R158 IonicContact OD2-CZ 2.71Å; D154-R158 IonicContact OD2-NE 3.73Å; D154-R158 PolarHBondContact OD2-NE 3.41Å; D154-R158 IonicContact OD2-NH2 3.32Å; D154-R158 PolarHBondContact OD2-NH2 3.14Å; A156-R158 PolarHBondContact O-N 3.46Å; R158-L160 VanDerWaalsContact C-N 3.35Å; R158-L160 PolarHBondContact O-N 2.91Å; R158-V161 PolarHBondContact O-N 3.35Å; R158-E162 WeakPolarHBondContact O-CB 3.24Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.45Å
159Q94.2Very high92.5Very high64 Ų6447.3 Ų47.330%0.29924%0.243SC..Hα-helixtrans-63.9-39.3179.1-178.1174.1-12.400112.3Y45 R155 A156 E162 T163Y45-Q159 VanDerWaalsContact CE1-OE1 3.27Å; Y45-Q159 PolarHBondContact OH-OE1 3.28Å; R155-Q159 WeakPolarHBondContact O-CB 3.47Å; R155-Q159 PolarHBondContact O-N 3.02Å; A156-Q159 PolarHBondContact O-N 3.35Å; Q159-E162 PolarHBondContact O-N 3.36Å; Q159-T163 HydrophobicContact CG-CG2 4.49Å; Q159-T163 WeakPolarHBondContact O-CB 3.29Å; Q159-T163 VanDerWaalsContact O-CG2 3.28Å; Q159-T163 WeakPolarHBondContact O-CG2 3.3Å; Q159-T163 PolarHBondContact O-N 2.81Å; Q159-T163 VanDerWaalsContact O-N 3.16Å; Q159-T163 PolarHBondContact O-OG1 3.03Å
160L93.9Very high92.4Very high0 Ų046.4 Ų46.40%024%0.242CC..Hα-helixtrans-64.3-45.3176.5-71.6167.5000110.5I52 A156 S157 R158 E162 T163 V164 L218 F222 F237I52-L160 HydrophobicContact CG2-CD1 4.21Å; I52-L160 HydrophobicContact CG2-CD2 3.95Å; A156-L160 WeakPolarHBondContact O-CB 3.5Å; A156-L160 WeakPolarHBondContact O-CG 3.33Å; A156-L160 PolarHBondContact O-N 3.43Å; S157-L160 PolarHBondContact O-N 2.98Å; R158-L160 VanDerWaalsContact C-N 3.35Å; R158-L160 PolarHBondContact O-N 2.91Å; L160-E162 PolarHBondContact O-N 3.48Å; L160-T163 PolarHBondContact O-N 3.24Å; L160-T163 PolarHBondContact O-OG1 2.89Å; L160-V164 WeakPolarHBondContact O-CG2 3.35Å; L160-V164 PolarHBondContact O-N 3.38Å; L160-L218 HydrophobicContact CD1-CD2 4.15Å; L160-F222 HydrophobicContact CD1-CE2 4.43Å; L160-F222 HydrophobicContact CD1-CZ 4.16Å; L160-F237 HydrophobicContact CB-CE2 3.91Å; L160-F237 HydrophobicContact CD1-CE2 4.08Å; L160-F237 HydrophobicContact CD1-CZ 4.08Å
161V92.7Very high92.4Very high31 Ų3145.9 Ų45.919%0.18824%0.24CC..Hα-helixtrans-60.3-45176174.30000111.9S157 R158 T163 F237S157-V161 WeakPolarHBondContact O-CG2 3.46Å; S157-V161 PolarHBondContact O-N 2.83Å; R158-V161 PolarHBondContact O-N 3.35Å; V161-T163 PolarHBondContact O-N 3.16Å; V161-F237 HydrophobicContact CG2-CB 4.28Å; V161-F237 HydrophobicContact CG2-CD2 3.74Å
162E91.8Very high92.7Very high148 Ų14843 Ų4369%0.69221%0.211SC*.Hα-helixtrans-67.8-22.5-177.3-73.6171.5-173.300113.5R158 Q159 L160R158-E162 WeakPolarHBondContact O-CB 3.24Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.45Å; Q159-E162 PolarHBondContact O-N 3.36Å; L160-E162 PolarHBondContact O-N 3.48Å
163T93Very high92.7Very high41 Ų4141.7 Ų41.725%0.25220%0.204SC..Hα-helixtrans-99-10.5-176.653.90000114.2Q159 L160 V161 E165 D166 Q167Q159-T163 HydrophobicContact CG-CG2 4.49Å; Q159-T163 WeakPolarHBondContact O-CB 3.29Å; Q159-T163 VanDerWaalsContact O-CG2 3.28Å; Q159-T163 WeakPolarHBondContact O-CG2 3.3Å; Q159-T163 PolarHBondContact O-N 2.81Å; Q159-T163 VanDerWaalsContact O-N 3.16Å; Q159-T163 PolarHBondContact O-OG1 3.03Å; L160-T163 PolarHBondContact O-N 3.24Å; L160-T163 PolarHBondContact O-OG1 2.89Å; V161-T163 PolarHBondContact O-N 3.16Å; T163-E165 PolarHBondContact O-N 3.32Å; T163-D166 PolarHBondContact O-N 3.13Å; T163-Q167 VanDerWaalsContact O-CG 3.28Å; T163-Q167 WeakPolarHBondContact O-CG 3.34Å; T163-Q167 PolarHBondContact O-N 2.95Å
164V93.8Very high92.6Very high4 Ų444.5 Ų44.52%0.02422%0.215CC..Hα-helixtrans-54.9-48.1-175.3168.90000112.8Y57 L160 D166 Q167 L168 M242 Q245Y57-V164 VanDerWaalsContact OH-CG2 3.27Å; Y57-V164 WeakPolarHBondContact OH-CG2 3.35Å; L160-V164 WeakPolarHBondContact O-CG2 3.35Å; L160-V164 PolarHBondContact O-N 3.38Å; V164-D166 PolarHBondContact O-N 3.12Å; V164-Q167 PolarHBondContact O-N 3.5Å; V164-L168 HydrophobicContact CG1-CD1 3.85Å; V164-L168 HydrophobicContact CG1-CG 4.17Å; V164-L168 WeakPolarHBondContact O-CB 3.23Å; V164-L168 WeakPolarHBondContact O-CG 3.2Å; V164-L168 PolarHBondContact O-N 2.89Å; V164-M242 HydrophobicContact CG1-CE 4.09Å; V164-M242 HydrophobicContact CG1-SD 3.9Å; V164-M242 HydrophobicContact CG2-SD 4.48Å; V164-Q245 HydrophobicContact CB-CG 4.44Å; V164-Q245 HydrophobicContact CG1-CB 3.61Å; V164-Q245 HydrophobicContact CG1-CG 3.7Å
165E93.6Very high92.5Very high103 Ų10346.1 Ų46.148%0.48121%0.214SC..Hα-helixtrans-59.7-48.1-177.6-174.3-172.2160.800111.4T163 W169 R252T163-E165 PolarHBondContact O-N 3.32Å; E165-W169 PolarHBondContact O-N 3.31Å; E165-W169 VanDerWaalsContact O-N 3.12Å; E165-R252 IonicContact OE1-NH1 2.88Å
166D92Very high92.4Very high95 Ų9542.2 Ų42.251%0.50820%0.2SC..Hα-helixtrans-63.2-45.3179.6-175.575.7000110.9T163 V164 L168 W169 S170T163-D166 PolarHBondContact O-N 3.13Å; V164-D166 PolarHBondContact O-N 3.12Å; D166-L168 PolarHBondContact O-N 2.94Å; D166-W169 PolarHBondContact O-N 3.44Å; D166-W169 VanDerWaalsContact O-N 3.16Å; D166-S170 VanDerWaalsContact O-CB 3.3Å; D166-S170 WeakPolarHBondContact O-CB 3.32Å; D166-S170 PolarHBondContact O-N 3.32Å; D166-S170 PolarHBondContact O-OG 2.95Å; D166-S170 PolarHBondContact OD2-OG 3.4Å
167Q93.9Very high92.1Very high38 Ų3842.4 Ų42.418%0.17820%0.201CC..Hα-helixtrans-64.5-42.4-179-67.4-65-35.700112.6T53 Y57 T163 V164 W169 V171 V172T53-Q167 HydrophobicContact CG2-CG 4.07Å; Y57-Q167 HydrophobicContact CD1-CB 4.1Å; Y57-Q167 HydrophobicContact CD2-CB 3.57Å; Y57-Q167 HydrophobicContact CD2-CG 3.87Å; Y57-Q167 HydrophobicContact CE1-CB 3.96Å; Y57-Q167 HydrophobicContact CE2-CB 3.41Å; Y57-Q167 VanDerWaalsContact CE2-CB 3.41Å; Y57-Q167 HydrophobicContact CE2-CG 3.59Å; Y57-Q167 HydrophobicContact CG-CB 3.91Å; T163-Q167 VanDerWaalsContact O-CG 3.28Å; T163-Q167 WeakPolarHBondContact O-CG 3.34Å; T163-Q167 PolarHBondContact O-N 2.95Å; V164-Q167 PolarHBondContact O-N 3.5Å; Q167-W169 VanDerWaalsContact C-N 3.26Å; Q167-W169 PolarHBondContact O-N 3.41Å; Q167-V171 WeakPolarHBondContact O-CA 3.13Å; Q167-V171 VanDerWaalsContact O-CB 3.26Å; Q167-V171 WeakPolarHBondContact O-CB 3.26Å; Q167-V171 PolarHBondContact O-N 3.4Å; Q167-V172 PolarHBondContact O-N 2.84Å
168L95.5Very high91.8Very high0 Ų046.7 Ų46.70%022%0.219CC..Iπ-helixtrans-60.3-38.7174.7-73.1-177.8000111.5Y57 V164 D166 V172 V173 F208 I211 M242 Q245 V246 T249Y57-L168 HydrophobicContact CD1-CD2 4.2Å; Y57-L168 HydrophobicContact CE1-CD2 4Å; Y57-L168 HydrophobicContact CE1-CG 4.36Å; V164-L168 HydrophobicContact CG1-CD1 3.85Å; V164-L168 HydrophobicContact CG1-CG 4.17Å; V164-L168 WeakPolarHBondContact O-CB 3.23Å; V164-L168 WeakPolarHBondContact O-CG 3.2Å; V164-L168 PolarHBondContact O-N 2.89Å; D166-L168 PolarHBondContact O-N 2.94Å; L168-V172 HydrophobicContact CD2-CG2 4.3Å; L168-V172 VanDerWaalsContact O-CB 3.31Å; L168-V172 WeakPolarHBondContact O-CB 3.38Å; L168-V172 PolarHBondContact O-N 3.47Å; L168-V173 WeakPolarHBondContact O-CG2 3.42Å; L168-V173 PolarHBondContact O-N 3.48Å; L168-F208 HydrophobicContact CD2-CD1 4.18Å; L168-F208 HydrophobicContact CD2-CE1 3.97Å; L168-I211 HydrophobicContact CD2-CD1 4.19Å; L168-I211 HydrophobicContact CD2-CG2 4.45Å; L168-M242 HydrophobicContact CD1-CE 3.73Å; L168-M242 HydrophobicContact CD2-CE 3.62Å; L168-M242 HydrophobicContact CG-CE 3.99Å; L168-Q245 HydrophobicContact CD1-CB 3.92Å; L168-V246 HydrophobicContact CD1-CG2 4.33Å; L168-T249 HydrophobicContact CB-CG2 4.2Å; L168-T249 WeakPolarHBondContact CD1-OG1 3.49Å
169W93.5Very high91.5Very high22 Ų2243 Ų438%0.08321%0.206CC..Iπ-helixtrans-80.1-57.4-179.4-166.1-96.7000113.2E165 D166 Q167 V173 Y174 T249 R252 L253 V328E165-W169 PolarHBondContact O-N 3.31Å; E165-W169 VanDerWaalsContact O-N 3.12Å; D166-W169 PolarHBondContact O-N 3.44Å; D166-W169 VanDerWaalsContact O-N 3.16Å; Q167-W169 VanDerWaalsContact C-N 3.26Å; Q167-W169 PolarHBondContact O-N 3.41Å; W169-V173 HydrophobicContact CE3-CB 4.35Å; W169-V173 HydrophobicContact CE3-CG1 4.28Å; W169-V173 HydrophobicContact CE3-CG2 4.23Å; W169-V173 HydrophobicContact CH2-CG1 4.44Å; W169-V173 HydrophobicContact CZ3-CG1 4.24Å; W169-V173 WeakPolarHBondContact O-CB 3.46Å; W169-V173 PolarHBondContact O-N 2.93Å; W169-Y174 PolarHBondContact O-N 3.27Å; W169-T249 HydrophobicContact CE3-CG2 4.17Å; W169-R252 HydrophobicContact CE3-CG 4.22Å; W169-R252 HydrophobicContact CH2-CB 4.44Å; W169-R252 HydrophobicContact CH2-CG 3.72Å; W169-R252 HydrophobicContact CZ2-CG 4.45Å; W169-R252 HydrophobicContact CZ3-CB 3.93Å; W169-R252 HydrophobicContact CZ3-CG 3.58Å; W169-L253 HydrophobicContact CH2-CD1 4.22Å; W169-L253 HydrophobicContact CZ3-CB 4.3Å; W169-L253 HydrophobicContact CZ3-CD1 4.39Å; W169-V328 HydrophobicContact CZ2-CB 4.42Å; W169-V328 HydrophobicContact CZ2-CG2 4.14Å
170S88Confident91.1Very high47 Ų4740 Ų4033%0.32919%0.192SC..Iπ-helixtrans-74.8-29.7-17174.10000113.3D166 Y174D166-S170 VanDerWaalsContact O-CB 3.3Å; D166-S170 WeakPolarHBondContact O-CB 3.32Å; D166-S170 PolarHBondContact O-N 3.32Å; D166-S170 PolarHBondContact O-OG 2.95Å; D166-S170 PolarHBondContact OD2-OG 3.4Å; S170-Y174 WeakPolarHBondContact O-CB 3.22Å
171V88.7Confident90.5Very high17 Ų1742.5 Ų42.510%0.10321%0.209CC..Iπ-helixtrans-98.9-53.2177.9-177.20000111.1Q167 R175Q167-V171 WeakPolarHBondContact O-CA 3.13Å; Q167-V171 VanDerWaalsContact O-CB 3.26Å; Q167-V171 WeakPolarHBondContact O-CB 3.26Å; Q167-V171 PolarHBondContact O-N 3.4Å; V171-R175 WeakPolarHBondContact O-CB 3.43Å; V171-R175 VanDerWaalsContact O-CD 3.32Å; V171-R175 WeakPolarHBondContact O-CD 3.15Å; V171-R175 WeakPolarHBondContact O-CG 3.5Å; V171-R175 PolarHBondContact O-N 3.48Å
172V92.9Very high89.9Confident0 Ų045.8 Ų45.80%023%0.226CC..Iπ-helixtrans-81.4-58.6-170.1-171.10000111.3Y57 Q167 L168 T176 L204 Q207 F208 I211Y57-V172 HydrophobicContact CD1-CG2 4.27Å; Q167-V172 PolarHBondContact O-N 2.84Å; L168-V172 HydrophobicContact CD2-CG2 4.3Å; L168-V172 VanDerWaalsContact O-CB 3.31Å; L168-V172 WeakPolarHBondContact O-CB 3.38Å; L168-V172 PolarHBondContact O-N 3.47Å; V172-T176 WeakPolarHBondContact O-CB 3.4Å; V172-T176 PolarHBondContact O-N 2.83Å; V172-T176 VanDerWaalsContact O-N 3.11Å; V172-T176 PolarHBondContact O-OG1 2.8Å; V172-L204 HydrophobicContact CG1-CD2 4.13Å; V172-Q207 HydrophobicContact CG1-CB 4.1Å; V172-F208 HydrophobicContact CG1-CD1 4.47Å; V172-F208 HydrophobicContact CG1-CE1 4Å; V172-I211 HydrophobicContact CB-CD1 4.37Å; V172-I211 HydrophobicContact CG1-CD1 3.93Å; V172-I211 HydrophobicContact CG2-CD1 3.58Å
173V93Very high89.2Confident0 Ų044 Ų440%022%0.217CC..Iπ-helixtrans-64-48-177.9172.30000111.6L168 W169 S177 L204 F208 T249 L253 V328L168-V173 WeakPolarHBondContact O-CG2 3.42Å; L168-V173 PolarHBondContact O-N 3.48Å; W169-V173 HydrophobicContact CE3-CB 4.35Å; W169-V173 HydrophobicContact CE3-CG1 4.28Å; W169-V173 HydrophobicContact CE3-CG2 4.23Å; W169-V173 HydrophobicContact CH2-CG1 4.44Å; W169-V173 HydrophobicContact CZ3-CG1 4.24Å; W169-V173 WeakPolarHBondContact O-CB 3.46Å; W169-V173 PolarHBondContact O-N 2.93Å; V173-S177 VanDerWaalsContact O-CB 3.26Å; V173-S177 WeakPolarHBondContact O-CB 3.35Å; V173-S177 PolarHBondContact O-N 2.97Å; V173-S177 PolarHBondContact O-OG 3.3Å; V173-L204 HydrophobicContact CG2-CD1 4.41Å; V173-L204 HydrophobicContact CG2-CD2 4.21Å; V173-F208 HydrophobicContact CG2-CZ 4.36Å; V173-T249 HydrophobicContact CG2-CG2 3.63Å; V173-L253 HydrophobicContact CG1-CD1 3.68Å; V173-V328 HydrophobicContact CG1-CG1 4.47Å; V173-V328 HydrophobicContact CG1-CG2 4.25Å
174Y89.4Confident88.3Confident66 Ų6643.7 Ų43.726%0.25921%0.214SC..Hα-helixtrans-63.6-50.4-177.9177.2-95.1000112.6W169 S170 T176 S177 K178 V328W169-Y174 PolarHBondContact O-N 3.27Å; S170-Y174 WeakPolarHBondContact O-CB 3.22Å; Y174-T176 VanDerWaalsContact C-N 3.32Å; Y174-T176 PolarHBondContact O-N 3.39Å; Y174-S177 PolarHBondContact O-N 3.03Å; Y174-K178 WeakPolarHBondContact O-CB 3.47Å; Y174-K178 PolarHBondContact O-N 3.15Å; Y174-V328 HydrophobicContact CD2-CG2 3.99Å
175R89.7Confident87.1Confident119 Ų11946.7 Ų46.745%0.44923%0.227SC..Hα-helixtrans-64.8-38.6-179.1-67.1-179.5-179.9-170.41.4111.9V171 K178 F179V171-R175 WeakPolarHBondContact O-CB 3.43Å; V171-R175 VanDerWaalsContact O-CD 3.32Å; V171-R175 WeakPolarHBondContact O-CD 3.15Å; V171-R175 WeakPolarHBondContact O-CG 3.5Å; V171-R175 PolarHBondContact O-N 3.48Å; R175-K178 PolarHBondContact O-N 2.99Å; R175-F179 WeakPolarHBondContact O-CB 3.3Å; R175-F179 PolarHBondContact O-N 3.23Å
176T90.8Very high85.2Confident0 Ų045.4 Ų45.40%024%0.241CC..Hα-helixtrans-69.7-42.7179-54.30000110.9V172 Y174 K178 F179 I180 L200 L203 L204 Q207V172-T176 WeakPolarHBondContact O-CB 3.4Å; V172-T176 PolarHBondContact O-N 2.83Å; V172-T176 VanDerWaalsContact O-N 3.11Å; V172-T176 PolarHBondContact O-OG1 2.8Å; Y174-T176 VanDerWaalsContact C-N 3.32Å; Y174-T176 PolarHBondContact O-N 3.39Å; T176-K178 VanDerWaalsContact C-N 3.33Å; T176-K178 PolarHBondContact O-N 3.11Å; T176-F179 WeakPolarHBondContact O-CB 3.42Å; T176-F179 PolarHBondContact O-N 3.28Å; T176-F179 VanDerWaalsContact O-N 3.17Å; T176-I180 WeakPolarHBondContact O-CG1 3.49Å; T176-I180 PolarHBondContact O-N 3.04Å; T176-L200 HydrophobicContact CG2-CD1 3.87Å; T176-L203 HydrophobicContact CG2-CB 4.06Å; T176-L203 HydrophobicContact CG2-CD2 3.58Å; T176-L203 HydrophobicContact CG2-CG 3.68Å; T176-L204 HydrophobicContact CG2-CD2 3.96Å; T176-L204 HydrophobicContact CG2-CG 4.2Å; T176-Q207 VanDerWaalsContact OG1-CD 3.31Å; T176-Q207 PolarHBondContact OG1-NE2 3.32Å; T176-Q207 PolarHBondContact OG1-OE1 3.14Å
177S89Confident83.4Confident4 Ų444.3 Ų44.33%0.02824%0.241CC..Hα-helixtrans-60.2-45174.7-57.20000111.3V173 Y174 F179 I180 C181V173-S177 VanDerWaalsContact O-CB 3.26Å; V173-S177 WeakPolarHBondContact O-CB 3.35Å; V173-S177 PolarHBondContact O-N 2.97Å; V173-S177 PolarHBondContact O-OG 3.3Å; Y174-S177 PolarHBondContact O-N 3.03Å; S177-F179 VanDerWaalsContact C-N 3.35Å; S177-F179 PolarHBondContact O-N 3.18Å; S177-I180 PolarHBondContact O-N 2.93Å; S177-C181 PolarHBondContact O-N 3.03Å; S177-C181 PolarHBondContact O-SG 3.32Å; S177-C181 VanDerWaalsContact O-SG 3.33Å
178K85.9Confident81.3Confident91 Ų9149 Ų4940%0.39628%0.278SS..Hα-helixtrans-59.7-43.9173.8-175.8174.9-178.7178.60111.9Y174 R175 T176 I180 C181 D182Y174-K178 WeakPolarHBondContact O-CB 3.47Å; Y174-K178 PolarHBondContact O-N 3.15Å; R175-K178 PolarHBondContact O-N 2.99Å; T176-K178 VanDerWaalsContact C-N 3.33Å; T176-K178 PolarHBondContact O-N 3.11Å; K178-I180 PolarHBondContact O-N 2.95Å; K178-C181 WeakPolarHBondContact O-CB 3.35Å; K178-C181 PolarHBondContact O-N 2.94Å; K178-D182 VanDerWaalsContact CE-OD2 3.29Å; K178-D182 WeakPolarHBondContact CE-OD2 3.44Å; K178-D182 WeakPolarHBondContact CG-OD2 3.19Å; K178-D182 WeakPolarHBondContact O-CB 3.43Å; K178-D182 VanDerWaalsContact O-CG 3.25Å; K178-D182 PolarHBondContact O-N 2.89Å
179F86.1Confident79.3Confident13 Ų1350.3 Ų50.36%0.05729%0.292CS..Hα-helixtrans-60.1-43.7176.7173.8-98.6000112.5I65 V68 R69 R175 T176 S177 C181 D182 H183 L184 L203I65-F179 HydrophobicContact CD1-CB 4.2Å; I65-F179 HydrophobicContact CD1-CG 4.25Å; I65-F179 HydrophobicContact CG1-CD1 4.16Å; I65-F179 HydrophobicContact CG1-CG 4.17Å; I65-F179 HydrophobicContact CG2-CD1 4.21Å; I65-F179 HydrophobicContact CG2-CD2 3.49Å; I65-F179 VanDerWaalsContact CG2-CD2 3.49Å; I65-F179 HydrophobicContact CG2-CE1 4.14Å; I65-F179 HydrophobicContact CG2-CE2 3.45Å; I65-F179 VanDerWaalsContact CG2-CE2 3.45Å; I65-F179 HydrophobicContact CG2-CG 3.92Å; I65-F179 HydrophobicContact CG2-CZ 3.79Å; V68-F179 HydrophobicContact CG1-CE1 4.21Å; V68-F179 HydrophobicContact CG1-CZ 4.4Å; R69-F179 HydrophobicContact CG-CE2 4.09Å; R69-F179 HydrophobicContact CG-CZ 4.08Å; R175-F179 WeakPolarHBondContact O-CB 3.3Å; R175-F179 PolarHBondContact O-N 3.23Å; T176-F179 WeakPolarHBondContact O-CB 3.42Å; T176-F179 PolarHBondContact O-N 3.28Å; T176-F179 VanDerWaalsContact O-N 3.17Å; S177-F179 VanDerWaalsContact C-N 3.35Å; S177-F179 PolarHBondContact O-N 3.18Å; F179-C181 VanDerWaalsContact C-N 3.35Å; F179-D182 PolarHBondContact O-N 3.36Å; F179-H183 HydrophobicContact CD2-CB 4.38Å; F179-H183 AromaticContact CD2-CD2 3.24Å; F179-H183 WeakPolarHBondContact CD2-CD2 3.48Å; F179-H183 HydrophobicContact CE2-CB 3.95Å; F179-H183 AromaticContact CE2-CD2 3.34Å; F179-H183 WeakPolarHBondContact CE2-CD2 3.37Å; F179-H183 AromaticContact CE2-CG 3.8Å; F179-H183 HydrophobicContact CZ-CB 4.22Å; F179-H183 WeakPolarHBondContact O-CB 3.41Å; F179-H183 PolarHBondContact O-N 2.95Å; F179-L184 HydrophobicContact CD1-CD1 4.44Å; F179-L184 HydrophobicContact CE1-CD1 3.84Å; F179-L184 HydrophobicContact CE1-CG 4.39Å; F179-L203 HydrophobicContact CD1-CD2 3.87Å; F179-L203 HydrophobicContact CE1-CD2 4.09Å
180I84.8Confident77.4Confident1 Ų155.2 Ų55.21%0.00532%0.324CS..Hα-helixtrans-60.5-46.7174.3-58.1-54.1000110.1T176 S177 K178 D182 L184 H185 E199 L200 L203 I331T176-I180 WeakPolarHBondContact O-CG1 3.49Å; T176-I180 PolarHBondContact O-N 3.04Å; S177-I180 PolarHBondContact O-N 2.93Å; K178-I180 PolarHBondContact O-N 2.95Å; I180-D182 PolarHBondContact O-N 2.98Å; I180-L184 HydrophobicContact CD1-CD1 3.49Å; I180-L184 VanDerWaalsContact CD1-CD1 3.49Å; I180-L184 HydrophobicContact CG2-CB 4.26Å; I180-L184 CarbonylContact O-C 3.38Å; I180-L184 WeakPolarHBondContact O-CA 3.39Å; I180-L184 PolarHBondContact O-N 3.46Å; I180-H185 PolarHBondContact O-N 2.94Å; I180-E199 HydrophobicContact CD1-CB 4.35Å; I180-L200 HydrophobicContact CG1-CB 4.07Å; I180-L200 HydrophobicContact CG1-CD1 4.1Å; I180-L203 HydrophobicContact CD1-CD2 4.13Å; I180-I331 HydrophobicContact CB-CD1 3.86Å; I180-I331 HydrophobicContact CG1-CD1 4.23Å; I180-I331 HydrophobicContact CG2-CD1 3.9Å; I180-I331 HydrophobicContact CG2-CG2 4.38Å
181C81.5Confident75.7Confident53 Ų5357.6 Ų57.636%0.35834%0.341SS..Hα-helixtrans-60.3-43.5178.8-69.50000113.4S177 K178 F179S177-C181 PolarHBondContact O-N 3.03Å; S177-C181 PolarHBondContact O-SG 3.32Å; S177-C181 VanDerWaalsContact O-SG 3.33Å; K178-C181 WeakPolarHBondContact O-CB 3.35Å; K178-C181 PolarHBondContact O-N 2.94Å; F179-C181 VanDerWaalsContact C-N 3.35Å
182D79.8Confident74.2Confident100 Ų10057 Ų5754%0.53534%0.337SS..Hα-helixtrans-80.2-28.9-173.7-66.6-11000112.4K178 F179 I180K178-D182 VanDerWaalsContact CE-OD2 3.29Å; K178-D182 WeakPolarHBondContact CE-OD2 3.44Å; K178-D182 WeakPolarHBondContact CG-OD2 3.19Å; K178-D182 WeakPolarHBondContact O-CB 3.43Å; K178-D182 VanDerWaalsContact O-CG 3.25Å; K178-D182 PolarHBondContact O-N 2.89Å; F179-D182 PolarHBondContact O-N 3.36Å; I180-D182 PolarHBondContact O-N 2.98Å
183H78.8Confident73.2Confident110 Ų11059.3 Ų59.351%0.50935%0.349SS..Hα-helixtrans-125.3-22.6-168.1-63.6-69.7000116.5R69 F179R69-H183 PolarHBondContact NH2-NE2 3.36Å; F179-H183 HydrophobicContact CD2-CB 4.38Å; F179-H183 AromaticContact CD2-CD2 3.24Å; F179-H183 WeakPolarHBondContact CD2-CD2 3.48Å; F179-H183 HydrophobicContact CE2-CB 3.95Å; F179-H183 AromaticContact CE2-CD2 3.34Å; F179-H183 WeakPolarHBondContact CE2-CD2 3.37Å; F179-H183 AromaticContact CE2-CG 3.8Å; F179-H183 HydrophobicContact CZ-CB 4.22Å; F179-H183 WeakPolarHBondContact O-CB 3.41Å; F179-H183 PolarHBondContact O-N 2.95Å
184L73.9Confident72.2Confident35 Ų3561.1 Ų61.118%0.18336%0.364CS..THydrogen-bonded Turntrans-118.1-17-173.1-65174.5000113.4V68 N72 F179 I180 G186V68-L184 HydrophobicContact CG1-CD1 4.23Å; N72-L184 WeakPolarHBondContact ND2-CD2 3.29Å; F179-L184 HydrophobicContact CD1-CD1 4.44Å; F179-L184 HydrophobicContact CE1-CD1 3.84Å; F179-L184 HydrophobicContact CE1-CG 4.39Å; I180-L184 HydrophobicContact CD1-CD1 3.49Å; I180-L184 VanDerWaalsContact CD1-CD1 3.49Å; I180-L184 HydrophobicContact CG2-CB 4.26Å; I180-L184 CarbonylContact O-C 3.38Å; I180-L184 WeakPolarHBondContact O-CA 3.39Å; I180-L184 PolarHBondContact O-N 3.46Å; L184-G186 VanDerWaalsContact C-N 3.32Å; L184-G186 PolarHBondContact O-N 3.21Å
185H67.3Low71.8Confident66 Ų6665.6 Ų65.631%0.30638%0.38SS..  trans-73.279.9172.4-95.2-30.3000112.5I180 S196 I331I180-H185 PolarHBondContact O-N 2.94Å; H185-S196 WeakPolarHBondContact CE1-CB 3.42Å; H185-S196 PolarHBondContact CE1-OG 2.9Å; H185-S196 WeakPolarHBondContact ND1-CB 3.44Å; H185-S196 PolarHBondContact ND1-OG 3.38Å; H185-I331 WeakPolarHBondContact CE1-CG2 3.47Å; H185-I331 WeakPolarHBondContact NE2-CG2 3.28Å; H185-I331 PolarHBondContact NE2-O 3.09Å; H185-I331 VanDerWaalsContact NE2-O 3.08Å
186G55.3Low71.6Confident76 Ų7660.1 Ų60.178%0.78436%0.36SS*.  trans-94.1-5.3-176.700000116.8L184L184-G186 VanDerWaalsContact C-N 3.32Å; L184-G186 PolarHBondContact O-N 3.21Å
187S52.4Low71.5Confident72 Ų7260.1 Ų60.150%0.50336%0.36SS..  trans-151.3126.7-169.458.70000113.9G189S187-G189 PolarHBondContact O-N 3.42Å
188S51.7Low71.4Confident137 Ų13760.4 Ų60.496%0.95836%0.362SS*.  trans-71.822.7-177.9-32.60000115.4
189G53Low71.6Confident28 Ų2858 Ų5829%0.28935%0.352SS..SBendtrans-105.9156.7-175.600000113.6S187 S191 G192 E193S187-G189 PolarHBondContact O-N 3.42Å; G189-S191 PolarHBondContact O-N 3.36Å; G189-G192 WeakPolarHBondContact O-CA 3.37Å; G189-G192 PolarHBondContact O-N 3.37Å; G189-E193 PolarHBondContact O-N 3.3Å
190V52.7Low71.9Confident124 Ų12457.4 Ų57.475%0.75235%0.35SS*.Hα-helixtrans-55-36.5175.1-1780000112E193 A194V190-E193 PolarHBondContact O-N 3.18Å; V190-A194 PolarHBondContact O-N 3.4Å
191S52.4Low72.4Confident98 Ų9857.4 Ų57.469%0.68535%0.35SS*.Hα-helixtrans-67.6-36.617455.20000112.6G189 R195G189-S191 PolarHBondContact O-N 3.36Å; S191-R195 WeakPolarHBondContact O-CB 3.38Å; S191-R195 PolarHBondContact O-N 3.47Å
192G58.6Low72.9Confident3 Ų358.1 Ų58.13%0.03135%0.345CS..Hα-helixtrans-64.6-42.7173.900000112.1G189 R195 S196G189-G192 WeakPolarHBondContact O-CA 3.37Å; G189-G192 PolarHBondContact O-N 3.37Å; G192-R195 PolarHBondContact O-N 3.37Å; G192-S196 WeakPolarHBondContact O-CB 3.37Å; G192-S196 PolarHBondContact O-N 2.92Å; G192-S196 PolarHBondContact O-OG 2.8Å
193E71Confident73.5Confident50 Ų5054 Ų5423%0.23432%0.323CS..Hα-helixtrans-59.6-50.7176.1-75.5-172.3-146.600112G189 V190 R195 S196 L197 C332 R333G189-E193 PolarHBondContact O-N 3.3Å; V190-E193 PolarHBondContact O-N 3.18Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 2.99Å; E193-S196 PolarHBondContact O-N 2.76Å; E193-L197 PolarHBondContact O-N 2.86Å; E193-L197 VanDerWaalsContact O-N 3.14Å; E193-C332 HydrophobicContact CB-CB 3.67Å; E193-C332 HydrophobicContact CG-CB 4.09Å; E193-R333 PolarHBondContact OE2-N 2.84Å; E193-R333 VanDerWaalsContact OE2-N 3.14Å
194A71.4Confident74.2Confident38 Ų3848.8 Ų48.831%0.31430%0.299SS..Hα-helixtrans-62.5-38.8178.600000112.5V190 S196 A198 A341V190-A194 PolarHBondContact O-N 3.4Å; A194-S196 VanDerWaalsContact C-N 3.33Å; A194-A198 WeakPolarHBondContact O-CB 3.13Å; A194-A198 PolarHBondContact O-N 2.92Å; A194-A198 VanDerWaalsContact O-N 3.17Å; A194-A341 HydrophobicContact CB-CB 4.17Å; A194-A341 WeakPolarHBondContact O-CB 3.35Å
195R80.8Confident75.3Confident159 Ų15947.5 Ų47.560%0.629%0.292SS*.Hα-helixtrans-62.2-42.7176.4-168.6-178.5-152.5150.68.9111.6S191 G192 E193 A198 E199S191-R195 WeakPolarHBondContact O-CB 3.38Å; S191-R195 PolarHBondContact O-N 3.47Å; G192-R195 PolarHBondContact O-N 3.37Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 2.99Å; R195-A198 CarbonylContact O-C 3.57Å; R195-A198 WeakPolarHBondContact O-CB 3.45Å; R195-A198 PolarHBondContact O-N 2.84Å; R195-E199 WeakPolarHBondContact CG-OE1 3.49Å; R195-E199 IonicContact NE-OE1 3.8Å; R195-E199 WeakPolarHBondContact O-CG 3.27Å; R195-E199 PolarHBondContact O-N 3.31Å
196S85.5Confident76.5Confident4 Ų445.8 Ų45.83%0.02829%0.286CS..Hα-helixtrans-71.7-38.1-174.8-52.70000112.5H185 G192 E193 A194 A198 E199 L200H185-S196 WeakPolarHBondContact CE1-CB 3.42Å; H185-S196 PolarHBondContact CE1-OG 2.9Å; H185-S196 WeakPolarHBondContact ND1-CB 3.44Å; H185-S196 PolarHBondContact ND1-OG 3.38Å; G192-S196 WeakPolarHBondContact O-CB 3.37Å; G192-S196 PolarHBondContact O-N 2.92Å; G192-S196 PolarHBondContact O-OG 2.8Å; E193-S196 PolarHBondContact O-N 2.76Å; A194-S196 VanDerWaalsContact C-N 3.33Å; S196-A198 VanDerWaalsContact C-N 3.31Å; S196-A198 PolarHBondContact O-N 3.31Å; S196-E199 PolarHBondContact O-N 3.16Å; S196-L200 PolarHBondContact O-N 2.73Å
197L89.1Confident78.3Confident1 Ų142.1 Ų42.11%0.00525%0.248CC..Hα-helixtrans-61.1-42.9169.317660.2000111.3E193 E199 L200 L201 Y257 N338E193-L197 PolarHBondContact O-N 2.86Å; E193-L197 VanDerWaalsContact O-N 3.14Å; L197-E199 VanDerWaalsContact C-N 3.28Å; L197-E199 PolarHBondContact O-N 2.9Å; L197-L200 PolarHBondContact O-N 3.1Å; L197-L201 HydrophobicContact CD1-CD1 4.37Å; L197-L201 HydrophobicContact CD1-CG 4.34Å; L197-L201 HydrophobicContact CG-CD1 4.35Å; L197-L201 WeakPolarHBondContact O-CG 3.15Å; L197-L201 PolarHBondContact O-N 3.06Å; L197-Y257 HydrophobicContact CD1-CD1 3.78Å; L197-Y257 HydrophobicContact CD1-CD2 3.76Å; L197-Y257 HydrophobicContact CD1-CE1 3.94Å; L197-Y257 HydrophobicContact CD1-CE2 3.94Å; L197-Y257 HydrophobicContact CD1-CG 3.7Å; L197-Y257 HydrophobicContact CD2-CD1 4.37Å; L197-Y257 HydrophobicContact CD2-CG 4.43Å; L197-N338 HydrophobicContact CD2-CB 3.64Å
198A88.1Confident80.3Confident9 Ų938.8 Ų38.87%0.07423%0.225CC..Hα-helixtrans-65.7-32.2178.200000112.2A194 R195 S196 R202 A341 L345A194-A198 WeakPolarHBondContact O-CB 3.13Å; A194-A198 PolarHBondContact O-N 2.92Å; A194-A198 VanDerWaalsContact O-N 3.17Å; R195-A198 CarbonylContact O-C 3.57Å; R195-A198 WeakPolarHBondContact O-CB 3.45Å; R195-A198 PolarHBondContact O-N 2.84Å; S196-A198 VanDerWaalsContact C-N 3.31Å; S196-A198 PolarHBondContact O-N 3.31Å; A198-R202 VanDerWaalsContact CB-NH1 3.31Å; A198-R202 VanDerWaalsContact O-CG 3.27Å; A198-R202 WeakPolarHBondContact O-CG 3.24Å; A198-R202 PolarHBondContact O-N 2.98Å; A198-R202 VanDerWaalsContact O-N 3.15Å; A198-R202 PolarHBondContact O-NH1 3.03Å; A198-R202 VanDerWaalsContact O-NH1 3.11Å; A198-A341 HydrophobicContact CB-CB 4.47Å; A198-L345 HydrophobicContact CB-CD1 3.8Å; A198-L345 VanDerWaalsContact O-CD1 3.29Å; A198-L345 WeakPolarHBondContact O-CD1 3.49Å
199E88.9Confident82.3Confident41 Ų4135.5 Ų35.519%0.19219%0.191CC..Hα-helixtrans-72.3-44.1173.5-75.7172.6-167.300112.1I180 R195 S196 L197 L201 R202 L203I180-E199 HydrophobicContact CD1-CB 4.35Å; R195-E199 WeakPolarHBondContact CG-OE1 3.49Å; R195-E199 IonicContact NE-OE1 3.8Å; R195-E199 WeakPolarHBondContact O-CG 3.27Å; R195-E199 PolarHBondContact O-N 3.31Å; S196-E199 PolarHBondContact O-N 3.16Å; L197-E199 VanDerWaalsContact C-N 3.28Å; L197-E199 PolarHBondContact O-N 2.9Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.04Å; E199-R202 PolarHBondContact O-N 2.79Å; E199-L203 WeakPolarHBondContact O-CB 3.23Å; E199-L203 PolarHBondContact O-N 2.88Å
200L93Very high84.1Confident0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-52.8-52.5172.4175.563.2000110.7T176 I180 S196 L197 R202 L203 L204 L253 Y257 I331T176-L200 HydrophobicContact CG2-CD1 3.87Å; I180-L200 HydrophobicContact CG1-CB 4.07Å; I180-L200 HydrophobicContact CG1-CD1 4.1Å; S196-L200 PolarHBondContact O-N 2.73Å; L197-L200 PolarHBondContact O-N 3.1Å; L200-R202 PolarHBondContact O-N 2.72Å; L200-L203 PolarHBondContact O-N 2.99Å; L200-L204 HydrophobicContact CD1-CD1 3.73Å; L200-L204 HydrophobicContact CD1-CD2 4.49Å; L200-L204 HydrophobicContact CD1-CG 3.89Å; L200-L204 HydrophobicContact CD2-CD1 4.35Å; L200-L204 HydrophobicContact CG-CD1 3.78Å; L200-L204 HydrophobicContact CG-CG 4.31Å; L200-L204 WeakPolarHBondContact O-CB 3.4Å; L200-L204 VanDerWaalsContact O-CG 3.28Å; L200-L204 WeakPolarHBondContact O-CG 3.25Å; L200-L204 PolarHBondContact O-N 2.92Å; L200-L253 HydrophobicContact CD2-CD1 4.48Å; L200-L253 HydrophobicContact CD2-CD2 4.32Å; L200-Y257 HydrophobicContact CD2-CE2 3.84Å; L200-Y257 WeakPolarHBondContact CD2-OH 3.27Å; L200-I331 HydrophobicContact CB-CD1 3.81Å; L200-I331 HydrophobicContact CD1-CD1 4.17Å; L200-I331 HydrophobicContact CD2-CD1 3.51Å; L200-I331 HydrophobicContact CG-CD1 4Å
201L94.4Very high86.1Confident1 Ų128.8 Ų28.81%0.00514%0.144CC..Hα-helixtrans-61.7-43.6-179.1-71173.6000111.9L197 E199 L203 F205 L253 L254 A342 L345 V346L197-L201 HydrophobicContact CD1-CD1 4.37Å; L197-L201 HydrophobicContact CD1-CG 4.34Å; L197-L201 HydrophobicContact CG-CD1 4.35Å; L197-L201 WeakPolarHBondContact O-CG 3.15Å; L197-L201 PolarHBondContact O-N 3.06Å; E199-L201 VanDerWaalsContact C-N 3.33Å; E199-L201 PolarHBondContact O-N 3.04Å; L201-L203 PolarHBondContact O-N 3.05Å; L201-F205 HydrophobicContact CB-CE2 4.2Å; L201-F205 HydrophobicContact CB-CZ 4.1Å; L201-F205 HydrophobicContact CD2-CE1 4.27Å; L201-F205 HydrophobicContact CD2-CZ 4.09Å; L201-F205 WeakPolarHBondContact O-CB 3.43Å; L201-F205 VanDerWaalsContact O-CD1 3.31Å; L201-F205 WeakPolarHBondContact O-CD1 3.37Å; L201-F205 VanDerWaalsContact O-CD2 3.27Å; L201-F205 WeakPolarHBondContact O-CD2 3.27Å; L201-F205 WeakPolarHBondContact O-CG 3.5Å; L201-F205 PolarHBondContact O-N 3.46Å; L201-L253 HydrophobicContact CD2-CD2 4.02Å; L201-L254 HydrophobicContact CD2-CD2 4.43Å; L201-A342 HydrophobicContact CD1-CB 3.55Å; L201-L345 HydrophobicContact CB-CD1 4.25Å; L201-V346 HydrophobicContact CD1-CG2 4.38Å
202R92.2Very high88Confident69 Ų6924.4 Ų24.426%0.2611%0.113SC..Hα-helixtrans-58.6-48176.7-79.8-179.3-174.991.3-1.5111.7A198 E199 L200 F205 V206 L345A198-R202 VanDerWaalsContact CB-NH1 3.31Å; A198-R202 VanDerWaalsContact O-CG 3.27Å; A198-R202 WeakPolarHBondContact O-CG 3.24Å; A198-R202 PolarHBondContact O-N 2.98Å; A198-R202 VanDerWaalsContact O-N 3.15Å; A198-R202 PolarHBondContact O-NH1 3.03Å; A198-R202 VanDerWaalsContact O-NH1 3.11Å; E199-R202 PolarHBondContact O-N 2.79Å; L200-R202 PolarHBondContact O-N 2.72Å; R202-F205 PolarHBondContact O-N 2.97Å; R202-V206 WeakPolarHBondContact O-CG2 3.4Å; R202-V206 PolarHBondContact O-N 2.92Å; R202-V206 VanDerWaalsContact O-N 3.14Å; R202-L345 HydrophobicContact CG-CD1 4.01Å; R202-L345 HydrophobicContact CG-CD2 3.87Å
203L91.9Very high89.6Confident12 Ų1226 Ų266%0.06313%0.126CC..Hα-helixtrans-67.7-44.2-176.9-173.852.4000111.4A64 I65 V68 T176 F179 I180 E199 L200 L201 F205 V206 Q207A64-L203 HydrophobicContact CB-CD1 3.86Å; I65-L203 HydrophobicContact CG1-CD2 4.16Å; V68-L203 HydrophobicContact CG2-CD1 3.86Å; V68-L203 HydrophobicContact CG2-CD2 4.5Å; T176-L203 HydrophobicContact CG2-CB 4.06Å; T176-L203 HydrophobicContact CG2-CD2 3.58Å; T176-L203 HydrophobicContact CG2-CG 3.68Å; F179-L203 HydrophobicContact CD1-CD2 3.87Å; F179-L203 HydrophobicContact CE1-CD2 4.09Å; I180-L203 HydrophobicContact CD1-CD2 4.13Å; E199-L203 WeakPolarHBondContact O-CB 3.23Å; E199-L203 PolarHBondContact O-N 2.88Å; L200-L203 PolarHBondContact O-N 2.99Å; L201-L203 PolarHBondContact O-N 3.05Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 3.21Å; L203-V206 PolarHBondContact O-N 3.3Å; L203-V206 VanDerWaalsContact O-N 3.14Å; L203-Q207 WeakPolarHBondContact O-CG 3.42Å; L203-Q207 PolarHBondContact O-N 2.8Å
204L95.6Very high90.7Very high1 Ų123.7 Ų23.71%0.00512%0.116CC..Hα-helixtrans-59.1-41.3174-72.1176.2000111.9V172 V173 T176 L200 V206 Q207 F208 L253V172-L204 HydrophobicContact CG1-CD2 4.13Å; V173-L204 HydrophobicContact CG2-CD1 4.41Å; V173-L204 HydrophobicContact CG2-CD2 4.21Å; T176-L204 HydrophobicContact CG2-CD2 3.96Å; T176-L204 HydrophobicContact CG2-CG 4.2Å; L200-L204 HydrophobicContact CD1-CD1 3.73Å; L200-L204 HydrophobicContact CD1-CD2 4.49Å; L200-L204 HydrophobicContact CD1-CG 3.89Å; L200-L204 HydrophobicContact CD2-CD1 4.35Å; L200-L204 HydrophobicContact CG-CD1 3.78Å; L200-L204 HydrophobicContact CG-CG 4.31Å; L200-L204 WeakPolarHBondContact O-CB 3.4Å; L200-L204 VanDerWaalsContact O-CG 3.28Å; L200-L204 WeakPolarHBondContact O-CG 3.25Å; L200-L204 PolarHBondContact O-N 2.92Å; L204-V206 VanDerWaalsContact C-N 3.3Å; L204-V206 PolarHBondContact O-N 3.26Å; L204-Q207 PolarHBondContact O-N 2.92Å; L204-F208 HydrophobicContact CB-CD2 4.38Å; L204-F208 HydrophobicContact CB-CE2 3.93Å; L204-F208 HydrophobicContact CB-CZ 4.37Å; L204-F208 HydrophobicContact CD2-CZ 4.38Å; L204-F208 WeakPolarHBondContact O-CB 3.24Å; L204-F208 WeakPolarHBondContact O-CD2 3.18Å; L204-F208 VanDerWaalsContact O-CG 3.22Å; L204-F208 WeakPolarHBondContact O-CG 3.4Å; L204-F208 PolarHBondContact O-N 2.96Å; L204-L253 HydrophobicContact CD1-CD2 3.37Å
205F95.4Very high91.9Very high8 Ų822 Ų224%0.03510%0.101CC..Hα-helixtrans-65.8-33.6177.8-61.6-16.8000112.3L201 R202 L203 F208 R209 I250 L345 V346 F349L201-F205 HydrophobicContact CB-CE2 4.2Å; L201-F205 HydrophobicContact CB-CZ 4.1Å; L201-F205 HydrophobicContact CD2-CE1 4.27Å; L201-F205 HydrophobicContact CD2-CZ 4.09Å; L201-F205 WeakPolarHBondContact O-CB 3.43Å; L201-F205 VanDerWaalsContact O-CD1 3.31Å; L201-F205 WeakPolarHBondContact O-CD1 3.37Å; L201-F205 VanDerWaalsContact O-CD2 3.27Å; L201-F205 WeakPolarHBondContact O-CD2 3.27Å; L201-F205 WeakPolarHBondContact O-CG 3.5Å; L201-F205 PolarHBondContact O-N 3.46Å; R202-F205 PolarHBondContact O-N 2.97Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 3.21Å; F205-F208 HydrophobicContact CD1-CD2 4.4Å; F205-R209 VanDerWaalsContact O-CG 3.29Å; F205-R209 WeakPolarHBondContact O-CG 3.29Å; F205-R209 PolarHBondContact O-N 2.89Å; F205-R209 PolarHBondContact O-NH1 3.1Å; F205-I250 HydrophobicContact CD1-CD1 4.09Å; F205-I250 HydrophobicContact CE1-CD1 3.71Å; F205-I250 HydrophobicContact CE1-CG1 4.15Å; F205-I250 HydrophobicContact CE1-CG2 4.33Å; F205-L345 HydrophobicContact CE2-CB 3.98Å; F205-L345 WeakPolarHBondContact CE2-O 3.38Å; F205-V346 HydrophobicContact CZ-CG2 4.02Å; F205-F349 HydrophobicContact CB-CD2 3.91Å; F205-F349 HydrophobicContact CB-CE2 4.01Å; F205-F349 HydrophobicContact CB-CG 4.33Å; F205-F349 AromaticContact CD1-CD1 3.81Å; F205-F349 HydrophobicContact CD1-CD1 3.81Å; F205-F349 HydrophobicContact CD1-CD2 4.38Å; F205-F349 HydrophobicContact CD1-CE1 4.01Å; F205-F349 HydrophobicContact CD1-CG 4Å; F205-F349 HydrophobicContact CD1-CZ 4.36Å; F205-F349 HydrophobicContact CD2-CB 3.83Å; F205-F349 HydrophobicContact CD2-CD2 4.32Å; F205-F349 HydrophobicContact CD2-CG 4.01Å; F205-F349 AromaticContact CE1-CD1 3.94Å; F205-F349 HydrophobicContact CE1-CD1 3.94Å; F205-F349 HydrophobicContact CE1-CE1 4.39Å; F205-F349 HydrophobicContact CE1-CG 4.32Å; F205-F349 HydrophobicContact CE2-CB 3.85Å; F205-F349 HydrophobicContact CE2-CG 4.31Å; F205-F349 HydrophobicContact CG-CB 4.21Å; F205-F349 HydrophobicContact CG-CD1 4.16Å; F205-F349 AromaticContact CG-CD2 3.96Å; F205-F349 HydrophobicContact CG-CD2 3.96Å; F205-F349 HydrophobicContact CG-CE2 4.34Å; F205-F349 AromaticContact CG-CG 3.85Å; F205-F349 HydrophobicContact CG-CG 3.85Å; F205-F349 HydrophobicContact CZ-CB 4.24Å; F205-F349 HydrophobicContact CZ-CD1 4.36Å; F205-F349 HydrophobicContact CZ-CG 4.46Å
206V92.4Very high92.5Very high30 Ų3015.7 Ų15.718%0.1829%0.086CC..Hα-helixtrans-66.2-48.3172.6173.10000110A64 R202 L203 L204 F208 R209 F210A64-V206 HydrophobicContact CB-CG1 4.12Å; R202-V206 WeakPolarHBondContact O-CG2 3.4Å; R202-V206 PolarHBondContact O-N 2.92Å; R202-V206 VanDerWaalsContact O-N 3.14Å; L203-V206 PolarHBondContact O-N 3.3Å; L203-V206 VanDerWaalsContact O-N 3.14Å; L204-V206 VanDerWaalsContact C-N 3.3Å; L204-V206 PolarHBondContact O-N 3.26Å; V206-F208 PolarHBondContact O-N 2.82Å; V206-R209 WeakPolarHBondContact O-CB 3.36Å; V206-R209 PolarHBondContact O-N 3.03Å; V206-R209 VanDerWaalsContact O-N 3.15Å; V206-F210 HydrophobicContact CG1-CD2 4.28Å; V206-F210 HydrophobicContact CG1-CE1 4.38Å; V206-F210 HydrophobicContact CG1-CE2 3.61Å; V206-F210 HydrophobicContact CG1-CZ 3.65Å; V206-F210 PolarHBondContact O-N 3.48Å; V206-F210 VanDerWaalsContact O-N 3.16Å
207Q93.6Very high92.9Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-60.5-44.4178.9-69.2171.7-22.300112.3C61 A64 V172 T176 L203 L204 R209 F210 I211C61-Q207 PolarHBondContact O-NE2 3.3Å; C61-Q207 PolarHBondContact SG-NE2 3.04Å; A64-Q207 HydrophobicContact CB-CG 3.43Å; A64-Q207 VanDerWaalsContact CB-CG 3.43Å; V172-Q207 HydrophobicContact CG1-CB 4.1Å; T176-Q207 VanDerWaalsContact OG1-CD 3.31Å; T176-Q207 PolarHBondContact OG1-NE2 3.32Å; T176-Q207 PolarHBondContact OG1-OE1 3.14Å; L203-Q207 WeakPolarHBondContact O-CG 3.42Å; L203-Q207 PolarHBondContact O-N 2.8Å; L204-Q207 PolarHBondContact O-N 2.92Å; Q207-R209 VanDerWaalsContact C-N 3.29Å; Q207-R209 PolarHBondContact O-N 2.69Å; Q207-F210 PolarHBondContact O-N 3.4Å; Q207-F210 VanDerWaalsContact O-N 3.13Å; Q207-I211 HydrophobicContact CB-CD1 4.49Å; Q207-I211 WeakPolarHBondContact O-CD1 3.06Å; Q207-I211 WeakPolarHBondContact O-CG1 3.37Å; Q207-I211 PolarHBondContact O-N 2.87Å
208F95.1Very high93.3Very high1 Ų116.5 Ų16.50%0.0049%0.091CC..Hα-helixtrans-62.1-36176.9-65.2-36.4000112.2L168 V172 V173 L204 F205 V206 F210 I211 T212 V246 T249 I250 F349L168-F208 HydrophobicContact CD2-CD1 4.18Å; L168-F208 HydrophobicContact CD2-CE1 3.97Å; V172-F208 HydrophobicContact CG1-CD1 4.47Å; V172-F208 HydrophobicContact CG1-CE1 4Å; V173-F208 HydrophobicContact CG2-CZ 4.36Å; L204-F208 HydrophobicContact CB-CD2 4.38Å; L204-F208 HydrophobicContact CB-CE2 3.93Å; L204-F208 HydrophobicContact CB-CZ 4.37Å; L204-F208 HydrophobicContact CD2-CZ 4.38Å; L204-F208 WeakPolarHBondContact O-CB 3.24Å; L204-F208 WeakPolarHBondContact O-CD2 3.18Å; L204-F208 VanDerWaalsContact O-CG 3.22Å; L204-F208 WeakPolarHBondContact O-CG 3.4Å; L204-F208 PolarHBondContact O-N 2.96Å; F205-F208 HydrophobicContact CD1-CD2 4.4Å; V206-F208 PolarHBondContact O-N 2.82Å; F208-F210 VanDerWaalsContact C-N 3.35Å; F208-F210 PolarHBondContact O-N 2.88Å; F208-I211 HydrophobicContact CD1-CD1 4.13Å; F208-I211 PolarHBondContact O-N 3.21Å; F208-T212 WeakPolarHBondContact O-CB 3.41Å; F208-T212 PolarHBondContact O-N 3.35Å; F208-T212 PolarHBondContact O-OG1 3.4Å; F208-V246 HydrophobicContact CB-CG1 3.91Å; F208-V246 HydrophobicContact CB-CG2 4.18Å; F208-V246 HydrophobicContact CD1-CG1 4.42Å; F208-V246 HydrophobicContact CD1-CG2 4.11Å; F208-V246 HydrophobicContact CD2-CG1 3.74Å; F208-V246 HydrophobicContact CE2-CG1 4.36Å; F208-V246 HydrophobicContact CG-CG1 3.78Å; F208-V246 HydrophobicContact CG-CG2 4.15Å; F208-T249 HydrophobicContact CE1-CG2 4.47Å; F208-T249 HydrophobicContact CZ-CG2 3.91Å; F208-I250 HydrophobicContact CD2-CD1 3.97Å; F208-I250 HydrophobicContact CD2-CG1 4.19Å; F208-I250 HydrophobicContact CE2-CD1 3.94Å; F208-I250 HydrophobicContact CE2-CG1 3.63Å; F208-F349 HydrophobicContact CB-CZ 4.28Å
209R92.5Very high93.6Very high68 Ų6816.4 Ų16.426%0.2579%0.089SC..Hα-helixtrans-61.4-43.7173.4-72176.1-170.399.1-12111.6F205 V206 Q207 A213 F349 E352F205-R209 VanDerWaalsContact O-CG 3.29Å; F205-R209 WeakPolarHBondContact O-CG 3.29Å; F205-R209 PolarHBondContact O-N 2.89Å; F205-R209 PolarHBondContact O-NH1 3.1Å; V206-R209 WeakPolarHBondContact O-CB 3.36Å; V206-R209 PolarHBondContact O-N 3.03Å; V206-R209 VanDerWaalsContact O-N 3.15Å; Q207-R209 VanDerWaalsContact C-N 3.29Å; Q207-R209 PolarHBondContact O-N 2.69Å; R209-A213 WeakPolarHBondContact O-CB 3.35Å; R209-A213 PolarHBondContact O-N 3.4Å; R209-A213 VanDerWaalsContact O-N 3.1Å; R209-F349 HydrophobicContact CG-CE2 4.22Å; R209-E352 IonicContact CZ-OE1 2.75Å; R209-E352 IonicContact CZ-OE2 2.72Å; R209-E352 IonicContact NE-OE2 3.25Å; R209-E352 PolarHBondContact NE-OE2 3.22Å; R209-E352 IonicContact NH2-OE1 3.84Å; R209-E352 PolarHBondContact NH2-OE1 3.18Å; R209-E352 IonicContact NH2-OE2 2.94Å; R209-E352 PolarHBondContact NH2-OE2 3.07Å
210F91.7Very high93.8Very high11 Ų1115.9 Ų15.95%0.0489%0.094CC..Hα-helixtrans-66.3-46.9176.7-63.1-24.1000112.3P60 A64 G104 Y107 A108 V206 Q207 F208 T212 A213 V214P60-F210 HydrophobicContact CB-CB 3.79Å; A64-F210 HydrophobicContact CB-CD2 4.3Å; A64-F210 HydrophobicContact CB-CE2 3.99Å; G104-F210 VanDerWaalsContact CA-CZ 3.48Å; G104-F210 VanDerWaalsContact O-CE1 3.29Å; G104-F210 WeakPolarHBondContact O-CE1 3.16Å; Y107-F210 HydrophobicContact CD1-CB 3.96Å; Y107-F210 AromaticContact CD1-CD1 3.9Å; Y107-F210 HydrophobicContact CD1-CD1 3.9Å; Y107-F210 AromaticContact CD1-CD2 3.9Å; Y107-F210 HydrophobicContact CD1-CD2 3.9Å; Y107-F210 HydrophobicContact CD1-CE1 4.36Å; Y107-F210 HydrophobicContact CD1-CE2 4.34Å; Y107-F210 AromaticContact CD1-CG 3.67Å; Y107-F210 HydrophobicContact CD1-CG 3.67Å; Y107-F210 HydrophobicContact CE1-CB 3.99Å; Y107-F210 HydrophobicContact CE1-CD2 4.48Å; Y107-F210 HydrophobicContact CE1-CG 4.2Å; A108-F210 HydrophobicContact CB-CE1 4.46Å; V206-F210 HydrophobicContact CG1-CD2 4.28Å; V206-F210 HydrophobicContact CG1-CE1 4.38Å; V206-F210 HydrophobicContact CG1-CE2 3.61Å; V206-F210 HydrophobicContact CG1-CZ 3.65Å; V206-F210 PolarHBondContact O-N 3.48Å; V206-F210 VanDerWaalsContact O-N 3.16Å; Q207-F210 PolarHBondContact O-N 3.4Å; Q207-F210 VanDerWaalsContact O-N 3.13Å; F208-F210 VanDerWaalsContact C-N 3.35Å; F208-F210 PolarHBondContact O-N 2.88Å; F210-T212 VanDerWaalsContact C-N 3.3Å; F210-T212 PolarHBondContact O-N 3.48Å; F210-A213 WeakPolarHBondContact O-CB 3.44Å; F210-A213 PolarHBondContact O-N 2.87Å; F210-A213 VanDerWaalsContact O-N 3.12Å; F210-V214 VanDerWaalsContact O-CG2 3.29Å; F210-V214 WeakPolarHBondContact O-CG2 3.28Å; F210-V214 PolarHBondContact O-N 3.34Å
211I94.3Very high93.9Very high0 Ų016.7 Ų16.70%010%0.098CC..Hα-helixtrans-58.9-44.9179.7-64.5160.6000109.9L56 Y57 P60 L168 V172 Q207 F208 A213 V214 Y215 M242L56-I211 HydrophobicContact CD1-CG2 4.13Å; L56-I211 HydrophobicContact CG-CG2 4.41Å; L56-I211 WeakPolarHBondContact O-CG1 3.49Å; Y57-I211 HydrophobicContact CD1-CD1 4.44Å; Y57-I211 HydrophobicContact CD1-CG2 3.94Å; Y57-I211 HydrophobicContact CE1-CG2 3.95Å; P60-I211 HydrophobicContact CB-CG1 3.98Å; P60-I211 HydrophobicContact CG-CG1 4.46Å; L168-I211 HydrophobicContact CD2-CD1 4.19Å; L168-I211 HydrophobicContact CD2-CG2 4.45Å; V172-I211 HydrophobicContact CB-CD1 4.37Å; V172-I211 HydrophobicContact CG1-CD1 3.93Å; V172-I211 HydrophobicContact CG2-CD1 3.58Å; Q207-I211 HydrophobicContact CB-CD1 4.49Å; Q207-I211 WeakPolarHBondContact O-CD1 3.06Å; Q207-I211 WeakPolarHBondContact O-CG1 3.37Å; Q207-I211 PolarHBondContact O-N 2.87Å; F208-I211 HydrophobicContact CD1-CD1 4.13Å; F208-I211 PolarHBondContact O-N 3.21Å; I211-A213 VanDerWaalsContact C-N 3.33Å; I211-A213 PolarHBondContact O-N 3.15Å; I211-V214 PolarHBondContact O-N 3.05Å; I211-Y215 WeakPolarHBondContact O-CB 3.41Å; I211-Y215 PolarHBondContact O-N 3.23Å; I211-M242 HydrophobicContact CG2-CE 3.56Å; I211-M242 HydrophobicContact CG2-SD 4.49Å
212T92.8Very high93.9Very high7 Ų716.7 Ų16.74%0.04310%0.098CC..Hα-helixtrans-67.2-33.5178.4-51.70000112.8F208 F210 Y215 G216 V239 M242 W243F208-T212 WeakPolarHBondContact O-CB 3.41Å; F208-T212 PolarHBondContact O-N 3.35Å; F208-T212 PolarHBondContact O-OG1 3.4Å; F210-T212 VanDerWaalsContact C-N 3.3Å; F210-T212 PolarHBondContact O-N 3.48Å; T212-Y215 PolarHBondContact O-N 2.7Å; T212-G216 PolarHBondContact O-N 2.84Å; T212-V239 HydrophobicContact CG2-CG1 3.84Å; T212-M242 HydrophobicContact CG2-CG 4.4Å; T212-W243 HydrophobicContact CG2-CD2 4.12Å; T212-W243 HydrophobicContact CG2-CG 4.39Å; T212-W243 HydrophobicContact CG2-CZ2 3.77Å
213A92.5Very high94Very high37 Ų3717.8 Ų17.831%0.30611%0.106SC..Hα-helixtrans-65.5-48.1173.400000111.4M111 R209 F210 I211 Y215 G216 V217M111-A213 HydrophobicContact CB-CB 4.15Å; M111-A213 HydrophobicContact CG-CB 3.86Å; R209-A213 WeakPolarHBondContact O-CB 3.35Å; R209-A213 PolarHBondContact O-N 3.4Å; R209-A213 VanDerWaalsContact O-N 3.1Å; F210-A213 WeakPolarHBondContact O-CB 3.44Å; F210-A213 PolarHBondContact O-N 2.87Å; F210-A213 VanDerWaalsContact O-N 3.12Å; I211-A213 VanDerWaalsContact C-N 3.33Å; I211-A213 PolarHBondContact O-N 3.15Å; A213-Y215 VanDerWaalsContact C-N 3.29Å; A213-Y215 PolarHBondContact O-N 3.37Å; A213-G216 PolarHBondContact O-N 3.34Å; A213-G216 VanDerWaalsContact O-N 3.1Å; A213-V217 PolarHBondContact O-N 3.03Å
214V94.3Very high94Very high1 Ų119 Ų191%0.00611%0.109CC..Hα-helixtrans-60.2-39.9175.6179.20000111.3L56 P60 Y107 M111 I140 F210 I211 G216 V217 L218L56-V214 HydrophobicContact CD1-CB 4.1Å; L56-V214 HydrophobicContact CD1-CG1 3.9Å; P60-V214 HydrophobicContact CG-CG2 3.94Å; Y107-V214 HydrophobicContact CE1-CG2 4.13Å; M111-V214 HydrophobicContact CE-CG2 3.79Å; M111-V214 HydrophobicContact CG-CG2 4.46Å; M111-V214 HydrophobicContact SD-CB 4.14Å; M111-V214 HydrophobicContact SD-CG2 3.4Å; M111-V214 WeakPolarHBondContact SD-CG2 3.33Å; I140-V214 HydrophobicContact CD1-CG1 3.64Å; F210-V214 VanDerWaalsContact O-CG2 3.29Å; F210-V214 WeakPolarHBondContact O-CG2 3.28Å; F210-V214 PolarHBondContact O-N 3.34Å; I211-V214 PolarHBondContact O-N 3.05Å; V214-G216 VanDerWaalsContact C-N 3.33Å; V214-G216 PolarHBondContact O-N 3.41Å; V214-V217 WeakPolarHBondContact O-CB 3.42Å; V214-V217 PolarHBondContact O-N 3.49Å; V214-L218 PolarHBondContact O-N 2.96Å
215Y95.2Very high93.9Very high1 Ų119 Ų190%0.00411%0.11CC..Hα-helixtrans-64.7-36.9176.1-161.1-106.2000112.3L56 I211 T212 A213 L218 I219 F237 M242L56-Y215 HydrophobicContact CD1-CD2 3.83Å; L56-Y215 HydrophobicContact CD1-CG 4.35Å; L56-Y215 HydrophobicContact CD2-CD2 3.7Å; L56-Y215 HydrophobicContact CD2-CE2 4.14Å; L56-Y215 HydrophobicContact CG-CD2 4.42Å; I211-Y215 WeakPolarHBondContact O-CB 3.41Å; I211-Y215 PolarHBondContact O-N 3.23Å; T212-Y215 PolarHBondContact O-N 2.7Å; A213-Y215 VanDerWaalsContact C-N 3.29Å; A213-Y215 PolarHBondContact O-N 3.37Å; Y215-L218 HydrophobicContact CD2-CD2 4.3Å; Y215-L218 HydrophobicContact CE2-CD2 4.49Å; Y215-L218 WeakPolarHBondContact O-CB 3.48Å; Y215-L218 PolarHBondContact O-N 3.28Å; Y215-I219 HydrophobicContact CD1-CD1 3.47Å; Y215-I219 VanDerWaalsContact CD1-CD1 3.47Å; Y215-I219 HydrophobicContact CD1-CG1 4.26Å; Y215-I219 HydrophobicContact CE1-CD1 3.42Å; Y215-I219 VanDerWaalsContact CE1-CD1 3.42Å; Y215-I219 HydrophobicContact CE1-CG1 4.16Å; Y215-I219 HydrophobicContact CG-CD1 4.47Å; Y215-I219 WeakPolarHBondContact O-CG1 3.32Å; Y215-I219 PolarHBondContact O-N 3.31Å; Y215-F237 AromaticContact CE2-CE2 3.81Å; Y215-F237 HydrophobicContact CE2-CE2 3.81Å; Y215-F237 HydrophobicContact CE2-CZ 4.27Å; Y215-F237 AromaticContact CZ-CD2 3.94Å; Y215-F237 AromaticContact CZ-CE2 3.67Å; Y215-F237 WeakPolarHBondContact OH-CD2 3.37Å; Y215-F237 WeakPolarHBondContact OH-CE2 3.46Å; Y215-M242 HydrophobicContact CD1-CB 3.56Å; Y215-M242 HydrophobicContact CD1-CG 3.93Å; Y215-M242 HydrophobicContact CD1-SD 4.37Å; Y215-M242 HydrophobicContact CD2-SD 4.17Å; Y215-M242 HydrophobicContact CE1-CB 3.79Å; Y215-M242 HydrophobicContact CE1-CG 4.45Å; Y215-M242 HydrophobicContact CE2-SD 4.42Å; Y215-M242 HydrophobicContact CG-CB 4.16Å; Y215-M242 HydrophobicContact CG-CG 4Å; Y215-M242 HydrophobicContact CG-SD 4.12Å
216G94Very high93.7Very high28 Ų2819.1 Ų19.129%0.28911%0.111SC..Hα-helixtrans-62.2-44.3172.900000112.4T212 A213 V214 L218 I219 G220T212-G216 PolarHBondContact O-N 2.84Å; A213-G216 PolarHBondContact O-N 3.34Å; A213-G216 VanDerWaalsContact O-N 3.1Å; V214-G216 VanDerWaalsContact C-N 3.33Å; V214-G216 PolarHBondContact O-N 3.41Å; G216-L218 VanDerWaalsContact C-N 3.35Å; G216-L218 PolarHBondContact O-N 3.5Å; G216-I219 PolarHBondContact O-N 2.99Å; G216-G220 PolarHBondContact O-N 3.02Å
217V94.9Very high93.6Very high20 Ų2024.3 Ų24.312%0.12113%0.133CC..Hα-helixtrans-59.4-46.9173.2173.70000110.7M111 V137 I140 A213 V214 I219 G220 Q221M111-V217 HydrophobicContact CB-CG2 4.17Å; M111-V217 WeakPolarHBondContact O-CG2 3.37Å; M111-V217 HydrophobicContact SD-CG2 4.18Å; V137-V217 HydrophobicContact CB-CG1 4.21Å; V137-V217 HydrophobicContact CG1-CG1 4.03Å; V137-V217 HydrophobicContact CG2-CG1 3.9Å; V137-V217 HydrophobicContact CG2-CG2 4.12Å; I140-V217 HydrophobicContact CD1-CG1 4.32Å; I140-V217 HydrophobicContact CG2-CG1 4.48Å; A213-V217 PolarHBondContact O-N 3.03Å; V214-V217 WeakPolarHBondContact O-CB 3.42Å; V214-V217 PolarHBondContact O-N 3.49Å; V217-I219 PolarHBondContact O-N 2.82Å; V217-G220 PolarHBondContact O-N 3.41Å; V217-Q221 WeakPolarHBondContact O-CG 3.34Å; V217-Q221 PolarHBondContact O-N 3.16Å
218L96Very high93.3Very high2 Ų228.6 Ų28.61%0.0116%0.156CC..Hα-helixtrans-57.5-47.6178.5-176.766.1000111.7I52 L56 I140 V144 L160 V214 Y215 G216 Q221 F222 F237I52-L218 HydrophobicContact CG2-CD1 3.95Å; I52-L218 HydrophobicContact CG2-CD2 3.86Å; L56-L218 HydrophobicContact CD2-CD2 4.45Å; I140-L218 HydrophobicContact CG2-CB 4.25Å; I140-L218 HydrophobicContact CG2-CD1 3.56Å; V144-L218 HydrophobicContact CG2-CD1 3.77Å; L160-L218 HydrophobicContact CD1-CD2 4.15Å; V214-L218 PolarHBondContact O-N 2.96Å; Y215-L218 HydrophobicContact CD2-CD2 4.3Å; Y215-L218 HydrophobicContact CE2-CD2 4.49Å; Y215-L218 WeakPolarHBondContact O-CB 3.48Å; Y215-L218 PolarHBondContact O-N 3.28Å; G216-L218 VanDerWaalsContact C-N 3.35Å; G216-L218 PolarHBondContact O-N 3.5Å; L218-Q221 PolarHBondContact O-N 2.93Å; L218-F222 HydrophobicContact CD1-CD2 4.04Å; L218-F222 HydrophobicContact CD1-CE2 3.74Å; L218-F222 HydrophobicContact CG-CD2 4.14Å; L218-F222 HydrophobicContact CG-CE2 4.06Å; L218-F222 WeakPolarHBondContact O-CD2 3.49Å; L218-F222 PolarHBondContact O-N 3.01Å; L218-F237 HydrophobicContact CD2-CZ 3.83Å; L218-F237 HydrophobicContact CG-CZ 4.02Å
219I94.7Very high92.8Very high7 Ų732.9 Ų32.94%0.03617%0.172CC..Hα-helixtrans-60-47.9176.2-72163.8000110.9Y215 G216 V217 Q221 F222 E223 L233 F237 N238 V239Y215-I219 HydrophobicContact CD1-CD1 3.47Å; Y215-I219 VanDerWaalsContact CD1-CD1 3.47Å; Y215-I219 HydrophobicContact CD1-CG1 4.26Å; Y215-I219 HydrophobicContact CE1-CD1 3.42Å; Y215-I219 VanDerWaalsContact CE1-CD1 3.42Å; Y215-I219 HydrophobicContact CE1-CG1 4.16Å; Y215-I219 HydrophobicContact CG-CD1 4.47Å; Y215-I219 WeakPolarHBondContact O-CG1 3.32Å; Y215-I219 PolarHBondContact O-N 3.31Å; G216-I219 PolarHBondContact O-N 2.99Å; V217-I219 PolarHBondContact O-N 2.82Å; I219-Q221 PolarHBondContact O-N 3.15Å; I219-F222 WeakPolarHBondContact O-CA 3.38Å; I219-F222 WeakPolarHBondContact O-CB 3.33Å; I219-F222 PolarHBondContact O-N 3.19Å; I219-E223 HydrophobicContact CG2-CG 4.21Å; I219-E223 WeakPolarHBondContact O-CG 3.33Å; I219-E223 PolarHBondContact O-N 2.82Å; I219-L233 HydrophobicContact CG2-CD2 4.01Å; I219-F237 HydrophobicContact CB-CE1 4.48Å; I219-F237 HydrophobicContact CG1-CD1 3.74Å; I219-F237 HydrophobicContact CG1-CE1 3.64Å; I219-F237 HydrophobicContact CG1-CZ 4.3Å; I219-N238 VanDerWaalsContact CD1-C 3.41Å; I219-V239 HydrophobicContact CD1-CB 4.44Å; I219-V239 HydrophobicContact CD1-CG2 3.65Å
220G93.1Very high92.5Very high29 Ų2938.3 Ų38.330%0.29920%0.199SC..Hα-helixtrans-58.2-36.4178.500000112.7G216 V217 R224G216-G220 PolarHBondContact O-N 3.02Å; V217-G220 PolarHBondContact O-N 3.41Å; G220-R224 WeakPolarHBondContact O-CB 3.23Å; G220-R224 PolarHBondContact O-N 3.37Å
221Q94.4Very high92.3Very high17 Ų1743.1 Ų43.18%0.07922%0.222CC..Hα-helixtrans-70-39.9173.1-63.2-44.6-57.100112.6I140 A141 V144 V217 L218 I219 R224 V225I140-Q221 HydrophobicContact CG2-CB 4.38Å; I140-Q221 HydrophobicContact CG2-CG 4.04Å; A141-Q221 HydrophobicContact CB-CG 4.09Å; V144-Q221 HydrophobicContact CB-CB 4.09Å; V144-Q221 HydrophobicContact CG1-CB 4.16Å; V144-Q221 HydrophobicContact CG2-CB 4.01Å; V217-Q221 WeakPolarHBondContact O-CG 3.34Å; V217-Q221 PolarHBondContact O-N 3.16Å; L218-Q221 PolarHBondContact O-N 2.93Å; I219-Q221 PolarHBondContact O-N 3.15Å; Q221-R224 PolarHBondContact O-N 3.21Å; Q221-V225 WeakPolarHBondContact O-CG2 3.24Å; Q221-V225 PolarHBondContact O-N 3.1Å; Q221-V225 VanDerWaalsContact O-N 3.11Å
222F95.6Very high91.9Very high1 Ų152.7 Ų52.70%0.00426%0.264CS..Hα-helixtrans-61.6-45.6174.9-94.5-107.2000111.6V144 L147 L153 A156 L160 L218 I219 V225 L226 L233 F237V144-F222 HydrophobicContact CB-CD2 4.44Å; V144-F222 HydrophobicContact CG1-CD2 3.81Å; V144-F222 HydrophobicContact CG1-CE2 4.19Å; V144-F222 HydrophobicContact CG1-CG 4.2Å; V144-F222 HydrophobicContact CG2-CD2 3.65Å; V144-F222 HydrophobicContact CG2-CE2 3.6Å; L147-F222 HydrophobicContact CD1-CZ 4.32Å; L153-F222 HydrophobicContact CB-CD1 4.47Å; L153-F222 HydrophobicContact CB-CE1 4.22Å; L153-F222 HydrophobicContact CD2-CD1 3.92Å; L153-F222 HydrophobicContact CD2-CE1 3.67Å; L153-F222 HydrophobicContact CD2-CZ 4.1Å; A156-F222 HydrophobicContact CB-CE1 4.35Å; A156-F222 HydrophobicContact CB-CZ 4.08Å; L160-F222 HydrophobicContact CD1-CE2 4.43Å; L160-F222 HydrophobicContact CD1-CZ 4.16Å; L218-F222 HydrophobicContact CD1-CD2 4.04Å; L218-F222 HydrophobicContact CD1-CE2 3.74Å; L218-F222 HydrophobicContact CG-CD2 4.14Å; L218-F222 HydrophobicContact CG-CE2 4.06Å; L218-F222 WeakPolarHBondContact O-CD2 3.49Å; L218-F222 PolarHBondContact O-N 3.01Å; I219-F222 WeakPolarHBondContact O-CA 3.38Å; I219-F222 WeakPolarHBondContact O-CB 3.33Å; I219-F222 PolarHBondContact O-N 3.19Å; F222-V225 PolarHBondContact O-N 2.96Å; F222-L226 WeakPolarHBondContact O-CB 3.35Å; F222-L226 VanDerWaalsContact O-CG 3.22Å; F222-L226 WeakPolarHBondContact O-CG 3.22Å; F222-L226 PolarHBondContact O-N 3.01Å; F222-L233 HydrophobicContact CB-CD1 4.12Å; F222-L233 HydrophobicContact CB-CD2 4.49Å; F222-L233 HydrophobicContact CD1-CD1 4.05Å; F222-L233 HydrophobicContact CG-CD1 4.5Å; F222-F237 HydrophobicContact CB-CE1 4.17Å; F222-F237 HydrophobicContact CD1-CE1 4.14Å; F222-F237 AromaticContact CD2-CE1 3.86Å; F222-F237 HydrophobicContact CD2-CE1 3.86Å; F222-F237 HydrophobicContact CD2-CZ 4.31Å; F222-F237 HydrophobicContact CE1-CE1 4.5Å; F222-F237 HydrophobicContact CE2-CE1 4.23Å; F222-F237 HydrophobicContact CE2-CZ 4.25Å; F222-F237 HydrophobicContact CG-CD1 4.45Å; F222-F237 AromaticContact CG-CE1 3.8Å; F222-F237 HydrophobicContact CG-CE1 3.8Å
223E93.4Very high91.7Very high92 Ų9254.2 Ų54.243%0.4327%0.271SS..Hα-helixtrans-59.3-48.8176.7-70.3177.9157.400110.7I219 V225 L226 E227 L233I219-E223 HydrophobicContact CG2-CG 4.21Å; I219-E223 WeakPolarHBondContact O-CG 3.33Å; I219-E223 PolarHBondContact O-N 2.82Å; E223-V225 VanDerWaalsContact C-N 3.34Å; E223-V225 PolarHBondContact O-N 3.39Å; E223-L226 PolarHBondContact O-N 3.08Å; E223-E227 WeakPolarHBondContact O-CB 3.43Å; E223-E227 VanDerWaalsContact O-CG 3.29Å; E223-E227 WeakPolarHBondContact O-CG 3.46Å; E223-E227 PolarHBondContact O-N 3.2Å; E223-L233 HydrophobicContact CG-CD2 3.69Å
224R93.4Very high91.3Very high37 Ų3754.1 Ų54.114%0.1427%0.266CS..Hα-helixtrans-51.7-50175.7179.9-177.762.976.8-1112.2C121 D145 G220 Q221 L228C121-R224 PolarHBondContact O-NH1 3.19Å; D145-R224 VanDerWaalsContact CG-NH2 3.34Å; D145-R224 IonicContact OD1-CZ 2.81Å; D145-R224 IonicContact OD1-NH1 3.09Å; D145-R224 PolarHBondContact OD1-NH1 3.17Å; D145-R224 IonicContact OD1-NH2 3.7Å; D145-R224 PolarHBondContact OD1-NH2 2.65Å; D145-R224 IonicContact OD2-CZ 3.63Å; D145-R224 IonicContact OD2-NH1 2.74Å; D145-R224 PolarHBondContact OD2-NH1 3.19Å; D145-R224 IonicContact OD2-NH2 3.25Å; D145-R224 PolarHBondContact OD2-NH2 3.29Å; G220-R224 WeakPolarHBondContact O-CB 3.23Å; G220-R224 PolarHBondContact O-N 3.37Å; Q221-R224 PolarHBondContact O-N 3.21Å; R224-L228 WeakPolarHBondContact O-CG 3.47Å; R224-L228 PolarHBondContact O-N 3.18Å
225V92.2Very high90.9Very high2 Ų259.3 Ų59.31%0.01230%0.302CS..Hα-helixtrans-74.4-32.6-175.4-177.40000112.4V144 D145 L153 Q221 F222 E223 R229V144-V225 HydrophobicContact CG1-CB 4.3Å; V144-V225 HydrophobicContact CG1-CG2 3.9Å; D145-V225 WeakPolarHBondContact OD1-CG2 3.33Å; L153-V225 HydrophobicContact CD1-CB 4.21Å; L153-V225 HydrophobicContact CD1-CG1 3.73Å; Q221-V225 WeakPolarHBondContact O-CG2 3.24Å; Q221-V225 PolarHBondContact O-N 3.1Å; Q221-V225 VanDerWaalsContact O-N 3.11Å; F222-V225 PolarHBondContact O-N 2.96Å; E223-V225 VanDerWaalsContact C-N 3.34Å; E223-V225 PolarHBondContact O-N 3.39Å; V225-R229 WeakPolarHBondContact O-CD 3.38Å; V225-R229 WeakPolarHBondContact O-CG 3.17Å
226L92.1Very high90.4Very high10 Ų1065.1 Ų65.15%0.05232%0.324CS..Hα-helixtrans-73.1-36176.5-71.2170000112.2L153 F222 E223 L228 R229 H230 Q231 L233L153-L226 HydrophobicContact CB-CD2 4.19Å; L153-L226 HydrophobicContact CD1-CD2 3.72Å; L153-L226 HydrophobicContact CD1-CG 4.03Å; F222-L226 WeakPolarHBondContact O-CB 3.35Å; F222-L226 VanDerWaalsContact O-CG 3.22Å; F222-L226 WeakPolarHBondContact O-CG 3.22Å; F222-L226 PolarHBondContact O-N 3.01Å; E223-L226 PolarHBondContact O-N 3.08Å; L226-L228 VanDerWaalsContact C-N 3.34Å; L226-L228 PolarHBondContact O-N 3.46Å; L226-R229 CarbonylContact O-C 3.58Å; L226-R229 WeakPolarHBondContact O-CA 3.24Å; L226-R229 PolarHBondContact O-N 2.82Å; L226-H230 PolarHBondContact O-N 3.22Å; L226-Q231 HydrophobicContact CB-CB 4.38Å; L226-Q231 HydrophobicContact CD2-CB 3.76Å; L226-Q231 PolarHBondContact O-N 3.31Å; L226-L233 HydrophobicContact CD1-CB 3.73Å; L226-L233 HydrophobicContact CD1-CD1 3.55Å; L226-L233 HydrophobicContact CD1-CG 4.24Å
227E89.4Confident90.3Very high139 Ų13963.9 Ų63.965%0.6531%0.311SS*.Hα-helixtrans-59.7-44.2174.5-79.3179.6179.500111.7E223 R229 H230E223-E227 WeakPolarHBondContact O-CB 3.43Å; E223-E227 VanDerWaalsContact O-CG 3.29Å; E223-E227 WeakPolarHBondContact O-CG 3.46Å; E223-E227 PolarHBondContact O-N 3.2Å; E227-R229 PolarHBondContact O-N 3.04Å; E227-R229 VanDerWaalsContact O-N 3.11Å; E227-H230 PolarHBondContact O-N 3.36Å; E227-H230 VanDerWaalsContact O-N 3.09Å
228L87.4Confident90Very high91 Ų9166.7 Ų66.748%0.47633%0.325SS..THydrogen-bonded Turntrans-59.3-22.2174.2-69172.3000113.1C121 R224 L226C121-L228 HydrophobicContact CB-CD1 3.76Å; C121-L228 HydrophobicContact CB-CD2 4.15Å; R224-L228 WeakPolarHBondContact O-CG 3.47Å; R224-L228 PolarHBondContact O-N 3.18Å; L226-L228 VanDerWaalsContact C-N 3.34Å; L226-L228 PolarHBondContact O-N 3.46Å
229R85.9Confident89.7Confident91 Ų9168.8 Ų68.834%0.34334%0.338SS..THydrogen-bonded Turntrans-1076-178.1-62.9168.7-171.9-102.6-4.8113G148 L149 V225 L226 E227 Q231G148-R229 PolarHBondContact O-NH1 3.38Å; G148-R229 PolarHBondContact O-NH2 3.37Å; G148-R229 VanDerWaalsContact O-NH2 3.1Å; L149-R229 VanDerWaalsContact N-NH2 3.13Å; V225-R229 WeakPolarHBondContact O-CD 3.38Å; V225-R229 WeakPolarHBondContact O-CG 3.17Å; L226-R229 CarbonylContact O-C 3.58Å; L226-R229 WeakPolarHBondContact O-CA 3.24Å; L226-R229 PolarHBondContact O-N 2.82Å; E227-R229 PolarHBondContact O-N 3.04Å; E227-R229 VanDerWaalsContact O-N 3.11Å; R229-Q231 HydrophobicContact CB-CG 4.39Å; R229-Q231 PolarHBondContact O-N 3.5Å
230H85.4Confident89.4Confident181 Ų18171.5 Ų71.584%0.83835%0.35SS*.THydrogen-bonded Turntrans53.332-175.1-52.8-51000113.9L226 E227L226-H230 PolarHBondContact O-N 3.22Å; E227-H230 PolarHBondContact O-N 3.36Å; E227-H230 VanDerWaalsContact O-N 3.09Å
231Q87.2Confident89.2Confident112 Ų11271.9 Ų71.952%0.52335%0.347SS..  trans-104.5160.3175.5-69.8178.45.600110.2L226 R229L226-Q231 HydrophobicContact CB-CB 4.38Å; L226-Q231 HydrophobicContact CD2-CB 3.76Å; L226-Q231 PolarHBondContact O-N 3.31Å; R229-Q231 HydrophobicContact CB-CG 4.39Å; R229-Q231 PolarHBondContact O-N 3.5Å
232K86.2Confident89.1Confident201 Ų20171.1 Ų71.187%0.87434%0.343SS*.  trans-110.5140.5177.1-67-171.6178.4-175.10109.9
233L88.4Confident88.9Confident39 Ų3971.6 Ų71.620%0.20435%0.345CS..  trans-69.4143.1174-173.360.2000110.6I219 F222 E223 L226 S235 F237I219-L233 HydrophobicContact CG2-CD2 4.01Å; F222-L233 HydrophobicContact CB-CD1 4.12Å; F222-L233 HydrophobicContact CB-CD2 4.49Å; F222-L233 HydrophobicContact CD1-CD1 4.05Å; F222-L233 HydrophobicContact CG-CD1 4.5Å; E223-L233 HydrophobicContact CG-CD2 3.69Å; L226-L233 HydrophobicContact CD1-CB 3.73Å; L226-L233 HydrophobicContact CD1-CD1 3.55Å; L226-L233 HydrophobicContact CD1-CG 4.24Å; L233-S235 PolarHBondContact O-N 2.66Å; L233-F237 HydrophobicContact CD1-CB 4.2Å; L233-F237 HydrophobicContact CD1-CD1 3.75Å; L233-F237 HydrophobicContact CD1-CG 4.36Å; L233-F237 HydrophobicContact CD2-CD1 3.91Å; L233-F237 HydrophobicContact CG-CB 4.28Å; L233-F237 HydrophobicContact CG-CD1 4.21Å
234D85Confident88.8Confident36 Ų3670.5 Ų70.519%0.19334%0.342CS..  trans-58.7128.9172.3-176.1-15.1000109.3R236 F237D234-R236 PolarHBondContact O-N 3.04Å; D234-R236 VanDerWaalsContact O-N 3.07Å; D234-R236 PolarHBondContact OD1-N 3.02Å; D234-R236 IonicContact OD1-NE 3.02Å; D234-R236 PolarHBondContact OD1-NE 3.26Å; D234-R236 IonicContact OD2-CZ 2.79Å; D234-R236 VanDerWaalsContact OD2-CZ 3.25Å; D234-R236 IonicContact OD2-NE 3.3Å; D234-R236 PolarHBondContact OD2-NE 2.98Å; D234-R236 IonicContact OD2-NH2 2.69Å; D234-R236 PolarHBondContact OD2-NH2 3.33Å; D234-F237 PolarHBondContact O-N 2.88Å
235S84.6Confident88.8Confident109 Ų10970.7 Ų70.776%0.76235%0.345SS*.THydrogen-bonded Turntrans-59.7-21.3-179.656.90000113.6L233L233-S235 PolarHBondContact O-N 2.66Å
236R85.6Confident89Confident123 Ų12370.6 Ų70.646%0.46434%0.344SS..THydrogen-bonded Turntrans-72.6-26.3174-62.5178.9-66.6172.52.6112.9D234 N238 T241D234-R236 PolarHBondContact O-N 3.04Å; D234-R236 VanDerWaalsContact O-N 3.07Å; D234-R236 PolarHBondContact OD1-N 3.02Å; D234-R236 IonicContact OD1-NE 3.02Å; D234-R236 PolarHBondContact OD1-NE 3.26Å; D234-R236 IonicContact OD2-CZ 2.79Å; D234-R236 VanDerWaalsContact OD2-CZ 3.25Å; D234-R236 IonicContact OD2-NE 3.3Å; D234-R236 PolarHBondContact OD2-NE 2.98Å; D234-R236 IonicContact OD2-NH2 2.69Å; D234-R236 PolarHBondContact OD2-NH2 3.33Å; R236-N238 VanDerWaalsContact C-N 3.27Å; R236-N238 PolarHBondContact O-N 3.48Å; R236-T241 VanDerWaalsContact O-CB 3.31Å; R236-T241 WeakPolarHBondContact O-CB 3.23Å; R236-T241 PolarHBondContact O-OG1 2.99Å
237F91.1Very high89.1Confident3 Ų370.2 Ų70.21%0.01334%0.342CS..SBendtrans-85.169.2179.1-163.9-111.3000110.8L160 V161 Y215 L218 I219 F222 L233 D234L160-F237 HydrophobicContact CB-CE2 3.91Å; L160-F237 HydrophobicContact CD1-CE2 4.08Å; L160-F237 HydrophobicContact CD1-CZ 4.08Å; V161-F237 HydrophobicContact CG2-CB 4.28Å; V161-F237 HydrophobicContact CG2-CD2 3.74Å; Y215-F237 AromaticContact CE2-CE2 3.81Å; Y215-F237 HydrophobicContact CE2-CE2 3.81Å; Y215-F237 HydrophobicContact CE2-CZ 4.27Å; Y215-F237 AromaticContact CZ-CD2 3.94Å; Y215-F237 AromaticContact CZ-CE2 3.67Å; Y215-F237 WeakPolarHBondContact OH-CD2 3.37Å; Y215-F237 WeakPolarHBondContact OH-CE2 3.46Å; L218-F237 HydrophobicContact CD2-CZ 3.83Å; L218-F237 HydrophobicContact CG-CZ 4.02Å; I219-F237 HydrophobicContact CB-CE1 4.48Å; I219-F237 HydrophobicContact CG1-CD1 3.74Å; I219-F237 HydrophobicContact CG1-CE1 3.64Å; I219-F237 HydrophobicContact CG1-CZ 4.3Å; F222-F237 HydrophobicContact CB-CE1 4.17Å; F222-F237 HydrophobicContact CD1-CE1 4.14Å; F222-F237 AromaticContact CD2-CE1 3.86Å; F222-F237 HydrophobicContact CD2-CE1 3.86Å; F222-F237 HydrophobicContact CD2-CZ 4.31Å; F222-F237 HydrophobicContact CE1-CE1 4.5Å; F222-F237 HydrophobicContact CE2-CE1 4.23Å; F222-F237 HydrophobicContact CE2-CZ 4.25Å; F222-F237 HydrophobicContact CG-CD1 4.45Å; F222-F237 AromaticContact CG-CE1 3.8Å; F222-F237 HydrophobicContact CG-CE1 3.8Å; L233-F237 HydrophobicContact CD1-CB 4.2Å; L233-F237 HydrophobicContact CD1-CD1 3.75Å; L233-F237 HydrophobicContact CD1-CG 4.36Å; L233-F237 HydrophobicContact CD2-CD1 3.91Å; L233-F237 HydrophobicContact CG-CB 4.28Å; L233-F237 HydrophobicContact CG-CD1 4.21Å; D234-F237 PolarHBondContact O-N 2.88Å
238N88.4Confident89.4Confident79 Ų7966.8 Ų66.842%0.42233%0.327SS..SBendtrans-130153.3-176.4-174.1-3.3000110.7I219 R236 Q240 T241 M242I219-N238 VanDerWaalsContact CD1-C 3.41Å; R236-N238 VanDerWaalsContact C-N 3.27Å; R236-N238 PolarHBondContact O-N 3.48Å; N238-Q240 PolarHBondContact O-N 3.37Å; N238-Q240 PolarHBondContact OD1-N 3.38Å; N238-T241 VanDerWaalsContact O-CB 3.27Å; N238-T241 WeakPolarHBondContact O-CB 3.24Å; N238-T241 PolarHBondContact O-N 2.87Å; N238-T241 PolarHBondContact O-OG1 3.1Å; N238-M242 PolarHBondContact O-N 3Å
239V89.8Confident89.8Confident45 Ų4562.7 Ų62.727%0.27331%0.306SS..Hα-helixtrans-55.2-34.5174.2-177.10000111.4T212 I219 T241 M242 W243T212-V239 HydrophobicContact CG2-CG1 3.84Å; I219-V239 HydrophobicContact CD1-CB 4.44Å; I219-V239 HydrophobicContact CD1-CG2 3.65Å; V239-T241 PolarHBondContact O-N 3.09Å; V239-M242 WeakPolarHBondContact O-CB 3.41Å; V239-M242 PolarHBondContact O-N 2.49Å; V239-W243 PolarHBondContact O-N 2.96Å
240Q89Confident90.2Very high65 Ų6558.4 Ų58.430%0.30429%0.29SS..Hα-helixtrans-60.1-43.6174.9-174.961.535.200112.2N238 M242 W243 D244 I357N238-Q240 PolarHBondContact O-N 3.37Å; N238-Q240 PolarHBondContact OD1-N 3.38Å; Q240-M242 PolarHBondContact O-N 2.96Å; Q240-W243 PolarHBondContact O-N 3.45Å; Q240-W243 VanDerWaalsContact O-N 3.11Å; Q240-D244 PolarHBondContact NE2-OD1 3.43Å; Q240-D244 VanDerWaalsContact O-CG 3.28Å; Q240-D244 PolarHBondContact O-N 3.19Å; Q240-I357 VanDerWaalsContact OE1-CG2 3.31Å
241T88.9Confident90.7Very high36 Ų3650.2 Ų50.222%0.22125%0.252CS..Hα-helixtrans-57.6-39.5176.1-49.40000111.3R236 N238 V239 D244 Q245R236-T241 VanDerWaalsContact O-CB 3.31Å; R236-T241 WeakPolarHBondContact O-CB 3.23Å; R236-T241 PolarHBondContact O-OG1 2.99Å; N238-T241 VanDerWaalsContact O-CB 3.27Å; N238-T241 WeakPolarHBondContact O-CB 3.24Å; N238-T241 PolarHBondContact O-N 2.87Å; N238-T241 PolarHBondContact O-OG1 3.1Å; V239-T241 PolarHBondContact O-N 3.09Å; T241-D244 PolarHBondContact O-N 3.14Å; T241-Q245 WeakPolarHBondContact O-CG 3.45Å; T241-Q245 PolarHBondContact O-N 3.38Å
242M92.2Very high91Very high1 Ų150.2 Ų50.21%0.00525%0.248CC..Hα-helixtrans-65.6-44.6177-169.766.8-143.600111.7Y57 V164 L168 I211 T212 Y215 N238 V239 Q240 D244 Q245 V246Y57-M242 HydrophobicContact CE1-CE 4.41Å; V164-M242 HydrophobicContact CG1-CE 4.09Å; V164-M242 HydrophobicContact CG1-SD 3.9Å; V164-M242 HydrophobicContact CG2-SD 4.48Å; L168-M242 HydrophobicContact CD1-CE 3.73Å; L168-M242 HydrophobicContact CD2-CE 3.62Å; L168-M242 HydrophobicContact CG-CE 3.99Å; I211-M242 HydrophobicContact CG2-CE 3.56Å; I211-M242 HydrophobicContact CG2-SD 4.49Å; T212-M242 HydrophobicContact CG2-CG 4.4Å; Y215-M242 HydrophobicContact CD1-CB 3.56Å; Y215-M242 HydrophobicContact CD1-CG 3.93Å; Y215-M242 HydrophobicContact CD1-SD 4.37Å; Y215-M242 HydrophobicContact CD2-SD 4.17Å; Y215-M242 HydrophobicContact CE1-CB 3.79Å; Y215-M242 HydrophobicContact CE1-CG 4.45Å; Y215-M242 HydrophobicContact CE2-SD 4.42Å; Y215-M242 HydrophobicContact CG-CB 4.16Å; Y215-M242 HydrophobicContact CG-CG 4Å; Y215-M242 HydrophobicContact CG-SD 4.12Å; N238-M242 PolarHBondContact O-N 3Å; V239-M242 WeakPolarHBondContact O-CB 3.41Å; V239-M242 PolarHBondContact O-N 2.49Å; Q240-M242 PolarHBondContact O-N 2.96Å; M242-D244 VanDerWaalsContact C-N 3.31Å; M242-D244 PolarHBondContact O-N 2.75Å; M242-Q245 PolarHBondContact O-N 2.69Å; M242-V246 HydrophobicContact CE-CG2 3.97Å; M242-V246 WeakPolarHBondContact O-CG2 3.4Å; M242-V246 PolarHBondContact O-N 2.85Å
243W91.8Very high91.3Very high12 Ų1240.7 Ų40.75%0.04521%0.206CC..Hα-helixtrans-62.8-36.8175-81.1118.4000112.7T212 V239 Q240 V246 Q247 F349 I353 K356T212-W243 HydrophobicContact CG2-CD2 4.12Å; T212-W243 HydrophobicContact CG2-CG 4.39Å; T212-W243 HydrophobicContact CG2-CZ2 3.77Å; V239-W243 PolarHBondContact O-N 2.96Å; Q240-W243 PolarHBondContact O-N 3.45Å; Q240-W243 VanDerWaalsContact O-N 3.11Å; W243-V246 HydrophobicContact CE3-CG1 4.44Å; W243-V246 PolarHBondContact O-N 3.12Å; W243-Q247 VanDerWaalsContact O-CG 3.32Å; W243-Q247 WeakPolarHBondContact O-CG 3.12Å; W243-Q247 PolarHBondContact O-N 2.72Å; W243-Q247 PolarHBondContact O-NE2 3.37Å; W243-F349 HydrophobicContact CH2-CZ 4.49Å; W243-F349 HydrophobicContact CZ3-CE2 4.42Å; W243-F349 AromaticContact CZ3-CZ 3.83Å; W243-F349 HydrophobicContact CZ3-CZ 3.83Å; W243-I353 HydrophobicContact CE3-CD1 4.17Å; W243-I353 HydrophobicContact CE3-CG1 3.79Å; W243-I353 HydrophobicContact CE3-CG2 4.43Å; W243-I353 HydrophobicContact CH2-CG1 4.47Å; W243-I353 HydrophobicContact CZ3-CD1 4.22Å; W243-I353 HydrophobicContact CZ3-CG1 3.67Å; W243-K356 HydrophobicContact CH2-CD 4.36Å; W243-K356 HydrophobicContact CZ2-CD 3.6Å
244D91.6Very high91.5Very high68 Ų6839 Ų3936%0.36420%0.197SC..Hα-helixtrans-65.9-41.7176-66.6-24.3000110.9Q240 T241 M242 Q247 L248Q240-D244 PolarHBondContact NE2-OD1 3.43Å; Q240-D244 VanDerWaalsContact O-CG 3.28Å; Q240-D244 PolarHBondContact O-N 3.19Å; T241-D244 PolarHBondContact O-N 3.14Å; M242-D244 VanDerWaalsContact C-N 3.31Å; M242-D244 PolarHBondContact O-N 2.75Å; D244-Q247 PolarHBondContact O-N 2.79Å; D244-L248 WeakPolarHBondContact O-CG 3.35Å; D244-L248 PolarHBondContact O-N 2.95Å
245Q93.5Very high91.8Very high42 Ų4238.9 Ų38.920%0.19620%0.199CC..Hα-helixtrans-67.2-37.5175.1-70.2-63.8-17.100113.2V164 L168 T241 M242 Q247 L248 T249V164-Q245 HydrophobicContact CB-CG 4.44Å; V164-Q245 HydrophobicContact CG1-CB 3.61Å; V164-Q245 HydrophobicContact CG1-CG 3.7Å; L168-Q245 HydrophobicContact CD1-CB 3.92Å; T241-Q245 WeakPolarHBondContact O-CG 3.45Å; T241-Q245 PolarHBondContact O-N 3.38Å; M242-Q245 PolarHBondContact O-N 2.69Å; Q245-Q247 VanDerWaalsContact C-N 3.35Å; Q245-L248 PolarHBondContact O-N 3.27Å; Q245-T249 WeakPolarHBondContact O-CB 3.41Å; Q245-T249 PolarHBondContact O-N 3Å; Q245-T249 PolarHBondContact O-OG1 3.24Å
246V95.3Very high92Very high0 Ų036.2 Ų36.20%018%0.175CC..Hα-helixtrans-61.1-44.7171.8167.10000110.7L168 F208 M242 W243 T249 I250 F349L168-V246 HydrophobicContact CD1-CG2 4.33Å; F208-V246 HydrophobicContact CB-CG1 3.91Å; F208-V246 HydrophobicContact CB-CG2 4.18Å; F208-V246 HydrophobicContact CD1-CG1 4.42Å; F208-V246 HydrophobicContact CD1-CG2 4.11Å; F208-V246 HydrophobicContact CD2-CG1 3.74Å; F208-V246 HydrophobicContact CE2-CG1 4.36Å; F208-V246 HydrophobicContact CG-CG1 3.78Å; F208-V246 HydrophobicContact CG-CG2 4.15Å; M242-V246 HydrophobicContact CE-CG2 3.97Å; M242-V246 WeakPolarHBondContact O-CG2 3.4Å; M242-V246 PolarHBondContact O-N 2.85Å; W243-V246 HydrophobicContact CE3-CG1 4.44Å; W243-V246 PolarHBondContact O-N 3.12Å; V246-T249 PolarHBondContact O-N 3.46Å; V246-I250 HydrophobicContact CG1-CD1 3.81Å; V246-I250 VanDerWaalsContact O-CG1 3.32Å; V246-I250 WeakPolarHBondContact O-CG1 3.48Å; V246-I250 PolarHBondContact O-N 2.96Å; V246-F349 HydrophobicContact CG1-CE1 4.06Å; V246-F349 HydrophobicContact CG1-CZ 4.25Å
247Q94.6Very high92.2Very high2 Ų230.4 Ų30.41%0.00915%0.153CC..Hα-helixtrans-61.6-45.8176.7-73.1174.283.400111.7W243 D244 Q245 T249 I250 E251 I353 C362 L364W243-Q247 VanDerWaalsContact O-CG 3.32Å; W243-Q247 WeakPolarHBondContact O-CG 3.12Å; W243-Q247 PolarHBondContact O-N 2.72Å; W243-Q247 PolarHBondContact O-NE2 3.37Å; D244-Q247 PolarHBondContact O-N 2.79Å; Q245-Q247 VanDerWaalsContact C-N 3.35Å; Q247-T249 VanDerWaalsContact C-N 3.33Å; Q247-T249 PolarHBondContact O-N 2.67Å; Q247-I250 PolarHBondContact O-N 3.49Å; Q247-E251 WeakPolarHBondContact O-CB 3.39Å; Q247-E251 WeakPolarHBondContact O-CG 3.5Å; Q247-E251 PolarHBondContact O-N 3.44Å; Q247-I353 HydrophobicContact CG-CD1 3.95Å; Q247-C362 VanDerWaalsContact OE1-CB 3.31Å; Q247-L364 HydrophobicContact CG-CB 4.24Å
248L94.8Very high92.1Very high66 Ų6630.4 Ų30.435%0.34615%0.154SC..Hα-helixtrans-60.8-41176.2-72.3171.8000112.4D244 Q245 E251 R252D244-L248 WeakPolarHBondContact O-CG 3.35Å; D244-L248 PolarHBondContact O-N 2.95Å; Q245-L248 PolarHBondContact O-N 3.27Å; L248-E251 PolarHBondContact O-N 3.21Å; L248-R252 WeakPolarHBondContact O-CB 3.48Å; L248-R252 PolarHBondContact O-N 2.85Å
249T96Very high91.8Very high5 Ų531.4 Ų31.43%0.03116%0.159CC..Hα-helixtrans-62.6-44.8177.2-59.40000111.1L168 W169 V173 F208 Q245 V246 Q247 R252 L253L168-T249 HydrophobicContact CB-CG2 4.2Å; L168-T249 WeakPolarHBondContact CD1-OG1 3.49Å; W169-T249 HydrophobicContact CE3-CG2 4.17Å; V173-T249 HydrophobicContact CG2-CG2 3.63Å; F208-T249 HydrophobicContact CE1-CG2 4.47Å; F208-T249 HydrophobicContact CZ-CG2 3.91Å; Q245-T249 WeakPolarHBondContact O-CB 3.41Å; Q245-T249 PolarHBondContact O-N 3Å; Q245-T249 PolarHBondContact O-OG1 3.24Å; V246-T249 PolarHBondContact O-N 3.46Å; Q247-T249 VanDerWaalsContact C-N 3.33Å; Q247-T249 PolarHBondContact O-N 2.67Å; T249-R252 PolarHBondContact O-N 3.5Å; T249-L253 WeakPolarHBondContact O-CB 3.5Å; T249-L253 PolarHBondContact O-N 2.81Å
250I95.6Very high91.4Very high1 Ų131.4 Ų31.41%0.00516%0.159CC..Hα-helixtrans-68.3-41177.6-64.8164.6000110.9F205 F208 V246 Q247 R252 L253 L254 F349 L364F205-I250 HydrophobicContact CD1-CD1 4.09Å; F205-I250 HydrophobicContact CE1-CD1 3.71Å; F205-I250 HydrophobicContact CE1-CG1 4.15Å; F205-I250 HydrophobicContact CE1-CG2 4.33Å; F208-I250 HydrophobicContact CD2-CD1 3.97Å; F208-I250 HydrophobicContact CD2-CG1 4.19Å; F208-I250 HydrophobicContact CE2-CD1 3.94Å; F208-I250 HydrophobicContact CE2-CG1 3.63Å; V246-I250 HydrophobicContact CG1-CD1 3.81Å; V246-I250 VanDerWaalsContact O-CG1 3.32Å; V246-I250 WeakPolarHBondContact O-CG1 3.48Å; V246-I250 PolarHBondContact O-N 2.96Å; Q247-I250 PolarHBondContact O-N 3.49Å; I250-R252 VanDerWaalsContact C-N 3.34Å; I250-R252 PolarHBondContact O-N 3.49Å; I250-L253 WeakPolarHBondContact O-CB 3.47Å; I250-L253 PolarHBondContact O-N 3.06Å; I250-L254 HydrophobicContact CG2-CD1 3.86Å; I250-L254 HydrophobicContact CG2-CG 4.1Å; I250-L254 WeakPolarHBondContact O-CB 3.37Å; I250-L254 VanDerWaalsContact O-CG 3.31Å; I250-L254 WeakPolarHBondContact O-CG 3Å; I250-L254 PolarHBondContact O-N 3.41Å; I250-F349 HydrophobicContact CD1-CD1 3.76Å; I250-F349 HydrophobicContact CD1-CE1 3.38Å; I250-F349 HydrophobicContact CD1-CZ 4.47Å; I250-L364 HydrophobicContact CB-CD1 4.38Å; I250-L364 HydrophobicContact CB-CD2 4.28Å; I250-L364 HydrophobicContact CD1-CD2 4.19Å; I250-L364 HydrophobicContact CG2-CD1 3.79Å; I250-L364 HydrophobicContact CG2-CD2 3.83Å; I250-L364 HydrophobicContact CG2-CG 4.49Å
251E94.4Very high90.7Very high9 Ų936.2 Ų36.24%0.04218%0.179CC..Hα-helixtrans-60.6-43.4174.7-76.9179.3-159.200111.9Q247 L248 L253 L254 S255 R363 L364 F367Q247-E251 WeakPolarHBondContact O-CB 3.39Å; Q247-E251 WeakPolarHBondContact O-CG 3.5Å; Q247-E251 PolarHBondContact O-N 3.44Å; L248-E251 PolarHBondContact O-N 3.21Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L254 PolarHBondContact O-N 3.39Å; E251-S255 VanDerWaalsContact O-CB 3.24Å; E251-S255 WeakPolarHBondContact O-CB 3.43Å; E251-S255 PolarHBondContact O-N 3.28Å; E251-S255 PolarHBondContact O-OG 3.48Å; E251-R363 VanDerWaalsContact CD-NE 3.26Å; E251-R363 VanDerWaalsContact OE1-CD 3.29Å; E251-R363 WeakPolarHBondContact OE1-CD 3.46Å; E251-R363 WeakPolarHBondContact OE1-CG 3.42Å; E251-R363 IonicContact OE1-NE 2.88Å; E251-R363 PolarHBondContact OE1-NE 2.88Å; E251-R363 IonicContact OE2-CZ 3.23Å; E251-R363 VanDerWaalsContact OE2-CZ 3.23Å; E251-R363 IonicContact OE2-NE 2.69Å; E251-R363 PolarHBondContact OE2-NE 3.13Å; E251-R363 IonicContact OE2-NH2 3.03Å; E251-R363 PolarHBondContact OE2-NH2 2.76Å; E251-L364 HydrophobicContact CG-CD1 3.84Å; E251-L364 PolarHBondContact OE1-N 3.01Å; E251-F367 HydrophobicContact CB-CD1 4.49Å; E251-F367 HydrophobicContact CG-CB 3.98Å; E251-F367 HydrophobicContact CG-CD1 3.89Å; E251-F367 HydrophobicContact CG-CD2 4.3Å; E251-F367 HydrophobicContact CG-CE1 4.48Å; E251-F367 HydrophobicContact CG-CG 3.78Å
252R93.6Very high89.3Confident113 Ų11340.1 Ų40.143%0.42621%0.205SC..Hα-helixtrans-60.9-45174.9-177.5179.1171.9177.9-4111E165 W169 L248 T249 I250 S255 M256E165-R252 IonicContact OE1-NH1 2.88Å; W169-R252 HydrophobicContact CE3-CG 4.22Å; W169-R252 HydrophobicContact CH2-CB 4.44Å; W169-R252 HydrophobicContact CH2-CG 3.72Å; W169-R252 HydrophobicContact CZ2-CG 4.45Å; W169-R252 HydrophobicContact CZ3-CB 3.93Å; W169-R252 HydrophobicContact CZ3-CG 3.58Å; L248-R252 WeakPolarHBondContact O-CB 3.48Å; L248-R252 PolarHBondContact O-N 2.85Å; T249-R252 PolarHBondContact O-N 3.5Å; I250-R252 VanDerWaalsContact C-N 3.34Å; I250-R252 PolarHBondContact O-N 3.49Å; R252-S255 PolarHBondContact O-N 2.94Å; R252-M256 PolarHBondContact O-N 3.33Å; R252-M256 VanDerWaalsContact O-N 3.12Å
253L93.7Very high87.3Confident1 Ų147.2 Ų47.21%0.00524%0.238CC..Hα-helixtrans-62-49.9176.9-169.372000111.5W169 V173 L200 L201 L204 T249 I250 E251 S255 M256 Y257W169-L253 HydrophobicContact CH2-CD1 4.22Å; W169-L253 HydrophobicContact CZ3-CB 4.3Å; W169-L253 HydrophobicContact CZ3-CD1 4.39Å; V173-L253 HydrophobicContact CG1-CD1 3.68Å; L200-L253 HydrophobicContact CD2-CD1 4.48Å; L200-L253 HydrophobicContact CD2-CD2 4.32Å; L201-L253 HydrophobicContact CD2-CD2 4.02Å; L204-L253 HydrophobicContact CD1-CD2 3.37Å; T249-L253 WeakPolarHBondContact O-CB 3.5Å; T249-L253 PolarHBondContact O-N 2.81Å; I250-L253 WeakPolarHBondContact O-CB 3.47Å; I250-L253 PolarHBondContact O-N 3.06Å; E251-L253 VanDerWaalsContact C-N 3.34Å; L253-S255 VanDerWaalsContact C-N 3.34Å; L253-S255 PolarHBondContact O-N 2.97Å; L253-M256 HydrophobicContact CD1-CE 3.94Å; L253-M256 WeakPolarHBondContact O-CB 3.36Å; L253-M256 PolarHBondContact O-N 3.28Å; L253-Y257 HydrophobicContact CD1-CD2 4.15Å; L253-Y257 HydrophobicContact CD1-CE2 3.67Å; L253-Y257 HydrophobicContact CG-CD2 3.97Å; L253-Y257 HydrophobicContact CG-CE2 3.91Å; L253-Y257 VanDerWaalsContact O-CD2 3.27Å; L253-Y257 WeakPolarHBondContact O-CD2 3.37Å; L253-Y257 PolarHBondContact O-N 2.96Å
254L92.6Very high84.9Confident2 Ų255.6 Ų55.61%0.0128%0.278CS..Hα-helixtrans-64-39.4178.1-71.4176.9000111.5L201 I250 E251 M256 Y257 L258 A342 V346 L364 F367 V368L201-L254 HydrophobicContact CD2-CD2 4.43Å; I250-L254 HydrophobicContact CG2-CD1 3.86Å; I250-L254 HydrophobicContact CG2-CG 4.1Å; I250-L254 WeakPolarHBondContact O-CB 3.37Å; I250-L254 VanDerWaalsContact O-CG 3.31Å; I250-L254 WeakPolarHBondContact O-CG 3Å; I250-L254 PolarHBondContact O-N 3.41Å; E251-L254 PolarHBondContact O-N 3.39Å; L254-M256 PolarHBondContact O-N 3.35Å; L254-Y257 PolarHBondContact O-N 2.77Å; L254-L258 HydrophobicContact CB-CD1 4.11Å; L254-L258 WeakPolarHBondContact O-CB 3.5Å; L254-L258 WeakPolarHBondContact O-CG 3.37Å; L254-L258 PolarHBondContact O-N 3.02Å; L254-A342 HydrophobicContact CD2-CB 4.11Å; L254-V346 HydrophobicContact CD1-CG1 4.13Å; L254-V346 HydrophobicContact CD1-CG2 3.92Å; L254-V346 HydrophobicContact CD2-CG2 4.12Å; L254-L364 HydrophobicContact CD1-CD1 3.92Å; L254-F367 HydrophobicContact CB-CE1 3.93Å; L254-F367 HydrophobicContact CD1-CE1 4.32Å; L254-V368 HydrophobicContact CD1-CG2 4.11Å
255S91Very high82.2Confident35 Ų3560.7 Ų60.725%0.24530%0.299CS..Hα-helixtrans-58.6-39.9176.1-63.10000111.5E251 R252 L253 N259 V260 F367E251-S255 VanDerWaalsContact O-CB 3.24Å; E251-S255 WeakPolarHBondContact O-CB 3.43Å; E251-S255 PolarHBondContact O-N 3.28Å; E251-S255 PolarHBondContact O-OG 3.48Å; R252-S255 PolarHBondContact O-N 2.94Å; L253-S255 VanDerWaalsContact C-N 3.34Å; L253-S255 PolarHBondContact O-N 2.97Å; S255-N259 WeakPolarHBondContact O-CA 3.48Å; S255-N259 PolarHBondContact O-N 2.94Å; S255-N259 VanDerWaalsContact O-N 3.1Å; S255-V260 PolarHBondContact O-N 3.19Å; S255-F367 VanDerWaalsContact OG-CZ 3.3Å; S255-F367 WeakPolarHBondContact OG-CZ 3.46Å
256M89.8Confident79.1Confident52 Ų5262.7 Ų62.726%0.25633%0.331SS..Hα-helixtrans-65.9-50.4175.1-173.8-175.768.100111.9R252 L253 L254 N259 V328 C330R252-M256 PolarHBondContact O-N 3.33Å; R252-M256 VanDerWaalsContact O-N 3.12Å; L253-M256 HydrophobicContact CD1-CE 3.94Å; L253-M256 WeakPolarHBondContact O-CB 3.36Å; L253-M256 PolarHBondContact O-N 3.28Å; L254-M256 PolarHBondContact O-N 3.35Å; M256-N259 PolarHBondContact O-N 3.46Å; M256-V328 HydrophobicContact CE-CG1 4.46Å; M256-C330 VanDerWaalsContact CG-SG 3.5Å
257Y89.5Confident76.1Confident1 Ų169.9 Ų69.90%0.00437%0.368CS..Hα-helixtrans-73-32.6-178-79.8-74.2000114.5L197 L200 L253 L254 N259 C330 I331 C332 P334 G335 N338L197-Y257 HydrophobicContact CD1-CD1 3.78Å; L197-Y257 HydrophobicContact CD1-CD2 3.76Å; L197-Y257 HydrophobicContact CD1-CE1 3.94Å; L197-Y257 HydrophobicContact CD1-CE2 3.94Å; L197-Y257 HydrophobicContact CD1-CG 3.7Å; L197-Y257 HydrophobicContact CD2-CD1 4.37Å; L197-Y257 HydrophobicContact CD2-CG 4.43Å; L200-Y257 HydrophobicContact CD2-CE2 3.84Å; L200-Y257 WeakPolarHBondContact CD2-OH 3.27Å; L253-Y257 HydrophobicContact CD1-CD2 4.15Å; L253-Y257 HydrophobicContact CD1-CE2 3.67Å; L253-Y257 HydrophobicContact CG-CD2 3.97Å; L253-Y257 HydrophobicContact CG-CE2 3.91Å; L253-Y257 VanDerWaalsContact O-CD2 3.27Å; L253-Y257 WeakPolarHBondContact O-CD2 3.37Å; L253-Y257 PolarHBondContact O-N 2.96Å; L254-Y257 PolarHBondContact O-N 2.77Å; Y257-N259 VanDerWaalsContact C-N 3.29Å; Y257-C330 HydrophobicContact CD1-CB 4.39Å; Y257-C330 HydrophobicContact CE1-CB 3.9Å; Y257-I331 HydrophobicContact CE1-CB 4.14Å; Y257-I331 WeakPolarHBondContact OH-CB 3.1Å; Y257-I331 VanDerWaalsContact OH-CG1 3.32Å; Y257-I331 WeakPolarHBondContact OH-CG1 3.44Å; Y257-I331 PolarHBondContact OH-N 3.34Å; Y257-C332 VanDerWaalsContact CD1-SG 3.56Å; Y257-P334 WeakPolarHBondContact O-CA 3.47Å; Y257-G335 PolarHBondContact O-N 3.25Å; Y257-N338 PolarHBondContact O-ND2 3.43Å
258L87.7Confident72.9Confident4 Ų473 Ų732%0.02140%0.4CS..THydrogen-bonded Turntrans-86.5-4.7178.2-60.6175.7000112.2L254 V260 N338 I339 Y371L254-L258 HydrophobicContact CB-CD1 4.11Å; L254-L258 WeakPolarHBondContact O-CB 3.5Å; L254-L258 WeakPolarHBondContact O-CG 3.37Å; L254-L258 PolarHBondContact O-N 3.02Å; L258-V260 VanDerWaalsContact C-N 3.31Å; L258-V260 HydrophobicContact CB-CG2 3.92Å; L258-V260 PolarHBondContact O-N 3.22Å; L258-N338 HydrophobicContact CD2-CB 4.08Å; L258-I339 HydrophobicContact CD1-CD1 4Å; L258-I339 HydrophobicContact CD2-CB 3.82Å; L258-I339 HydrophobicContact CD2-CD1 4.13Å; L258-Y371 HydrophobicContact CB-CE1 4.23Å; L258-Y371 HydrophobicContact CB-CE2 4.24Å; L258-Y371 HydrophobicContact CD1-CD1 3.94Å; L258-Y371 HydrophobicContact CD1-CE1 3.82Å; L258-Y371 HydrophobicContact CD1-CG 4.43Å; L258-Y371 HydrophobicContact CD2-CE1 4.22Å; L258-Y371 HydrophobicContact CG-CE1 4.32Å; L258-Y371 PolarHBondContact O-OH 3.32Å
259N83.7Confident69.9Low99 Ų9981 Ų8153%0.52943%0.426SS..THydrogen-bonded Turntrans51.648.2-175.1-165.616.7000112.1S255 M256 Y257 K261 P334S255-N259 WeakPolarHBondContact O-CA 3.48Å; S255-N259 PolarHBondContact O-N 2.94Å; S255-N259 VanDerWaalsContact O-N 3.1Å; M256-N259 PolarHBondContact O-N 3.46Å; Y257-N259 VanDerWaalsContact C-N 3.29Å; N259-K261 PolarHBondContact O-N 2.91Å; N259-K261 VanDerWaalsContact O-N 3.13Å; N259-P334 HydrophobicContact CB-CB 4.2Å
260V80.8Confident66.6Low45 Ų4589.9 Ų89.927%0.27346%0.464SS..  trans-69.6110176.9-1750000107.7S255 L258 F367 Y371S255-V260 PolarHBondContact O-N 3.19Å; L258-V260 VanDerWaalsContact C-N 3.31Å; L258-V260 HydrophobicContact CB-CG2 3.92Å; L258-V260 PolarHBondContact O-N 3.22Å; V260-F367 HydrophobicContact CG2-CZ 4.16Å; V260-Y371 HydrophobicContact CG2-CD2 3.6Å; V260-Y371 HydrophobicContact CG2-CE2 3.61Å
261K73.9Confident63.4Low166 Ų16697.3 Ų97.372%0.72250%0.503SS*.  trans-65.1130170.9-63.3178-176172.70107.2N259 E263N259-K261 PolarHBondContact O-N 2.91Å; N259-K261 VanDerWaalsContact O-N 3.13Å; K261-E263 PolarHBondContact O-N 3.39Å; K261-E263 VanDerWaalsContact O-N 3.14Å
262P60.4Low60.4Low118 Ų118102.2 Ų102.277%0.76654%0.536SS*.  trans-54.3126.7172.722.5-31.2000107.6Q264P262-Q264 PolarHBondContact O-N 3.47Å
263E48.5Very low57.6Low151 Ų151102.2 Ų102.271%0.70655%0.551SS**  trans-49.2106.5178.2-74.8-177.6161.100107.1K261 Q265 K374K261-E263 PolarHBondContact O-N 3.39Å; K261-E263 VanDerWaalsContact O-N 3.14Å; E263-Q265 VanDerWaalsContact C-N 3.29Å; E263-Q265 PolarHBondContact O-N 3.01Å; E263-K374 IonicContact OE1-NZ 3.67Å
264Q41.4Very low54.8Low187 Ų187109.3 Ų109.387%0.87459%0.588SS**  trans-63.9102.4171.2-75.3-177.9-0.600105P262 G266P262-Q264 PolarHBondContact O-N 3.47Å; Q264-G266 PolarHBondContact O-N 2.86Å; Q264-G266 VanDerWaalsContact O-N 3.1Å
265Q34.6Very low52.1Low176 Ų176114.8 Ų114.882%0.82262%0.618SS**  trans-36.3121.7160.9-75.1175.4-2000107.6E263 I267E263-Q265 VanDerWaalsContact C-N 3.29Å; E263-Q265 PolarHBondContact O-N 3.01Å; Q265-I267 PolarHBondContact O-N 3.45Å
266G29.3Very low49.7Very low83 Ų83120.2 Ų120.286%0.85664%0.644SS**SBendtrans-62.562.8-168.600000115.3Q264 G268Q264-G266 PolarHBondContact O-N 2.86Å; Q264-G266 VanDerWaalsContact O-N 3.1Å; G266-G268 VanDerWaalsContact C-N 3.33Å; G266-G268 PolarHBondContact O-N 3.45Å
267I33.2Very low47.4Very low151 Ų151121.5 Ų121.577%0.77466%0.663SS**  trans-85.590.5156.1-53.9179000104.8Q265 R269Q265-I267 PolarHBondContact O-N 3.45Å; I267-R269 VanDerWaalsContact C-N 3.33Å; I267-R269 PolarHBondContact O-N 3.07Å
268G26.8Very low45.1Very low67 Ų67129 Ų12969%0.69170%0.695SS**  trans-4898.7171.700000110.2G266 K270G266-G268 VanDerWaalsContact C-N 3.33Å; G266-G268 PolarHBondContact O-N 3.45Å; G268-K270 PolarHBondContact O-N 2.88Å
269R30.5Very low43.2Very low235 Ų235132.8 Ų132.889%0.88772%0.72SS**  trans-69.184152.8-82.6-174.3174.4-176.91.9105.2I267 L271I267-R269 VanDerWaalsContact C-N 3.33Å; I267-R269 PolarHBondContact O-N 3.07Å; R269-L271 VanDerWaalsContact C-N 3.32Å; R269-L271 PolarHBondContact O-N 3.41Å
270K27.3Very low41.5Very low191 Ų191134.4 Ų134.483%0.8373%0.728SS**  trans-45.6110.6149.6-74.8-177.5175.2-179.40104.7G268 P272G268-K270 PolarHBondContact O-N 2.88Å; K270-P272 VanDerWaalsContact O-N 3.15Å
271L28.6Very low40.2Very low157 Ų157135.8 Ų135.882%0.82274%0.739SS**PPolyproline II helixtrans-46.3127.3159.7-96.281.7000105.1R269R269-L271 VanDerWaalsContact C-N 3.32Å; R269-L271 PolarHBondContact O-N 3.41Å
272P31.9Very low39.1Very low113 Ų113131.3 Ų131.373%0.73473%0.726SS**PPolyproline II helixtrans-51.1130.4173.9-19.429.7000106.8K270 D274K270-P272 VanDerWaalsContact O-N 3.15Å; P272-D274 PolarHBondContact O-N 2.86Å
273P33.6Very low38.8Very low113 Ų113135 Ų13573%0.73473%0.726SS**PPolyproline II helixtrans-55.6133.2-179.423.9-31.8000107.6N275P273-N275 PolarHBondContact O-N 3.25Å
274D35Very low39Very low149 Ų149135.8 Ų135.880%0.79773%0.727SS**  trans-57.977.8-177.9-138.98.8000109.2P272 D276P272-D274 PolarHBondContact O-N 2.86Å; D274-D276 PolarHBondContact O-N 3.15Å
275N36.6Very low39.4Very low118 Ų118132.8 Ų132.863%0.63172%0.716SS**  trans-95.664.2-176.6-157.75.3000108.1P273 A277P273-N275 PolarHBondContact O-N 3.25Å; N275-A277 PolarHBondContact O-N 2.79Å
276D41.3Very low39.6Very low149 Ų149134.2 Ų134.280%0.79772%0.719SS**  trans-69.522.1171.9-89.6-18.2000112.9D274D274-D276 PolarHBondContact O-N 3.15Å
277A41.2Very low40.1Very low78 Ų78139.4 Ų139.465%0.64572%0.718SS**  trans-9717.6177.700000113.6N275N275-A277 PolarHBondContact O-N 2.79Å
278K41.4Very low40.4Very low158 Ų158135.2 Ų135.269%0.68771%0.712SS**SBendtrans-87.8119.6172.7-82.1-178.3-179.1174.20111I280K278-I280 PolarHBondContact O-N 3.41Å
279P46.8Very low41.2Very low84 Ų84138.4 Ų138.455%0.54572%0.721SS.*  trans-62.3138.1-177.223.4-31.6000111.1S281 T282P279-S281 PolarHBondContact O-N 3.41Å; P279-T282 PolarHBondContact O-N 3.41Å; P279-T282 PolarHBondContact O-OG1 2.99Å
280I49.1Very low41.6Very low134 Ų134134.6 Ų134.669%0.68772%0.717SS**G310 helixtrans-52-23.5-175.1-134.2161.9000113.2K278 T282 Y283 F284K278-I280 PolarHBondContact O-N 3.41Å; I280-T282 PolarHBondContact O-N 3.26Å; I280-Y283 PolarHBondContact O-N 3.29Å; I280-Y283 VanDerWaalsContact O-N 3.16Å; I280-F284 HydrophobicContact CG2-CE2 4.4Å; I280-F284 WeakPolarHBondContact O-CD2 3.18Å
281S52.8Low42.2Very low74 Ų74130.5 Ų130.552%0.51771%0.71SS.*G310 helixtrans-60.3-25.6177.968.60000113.5P279 Y283 F284P279-S281 PolarHBondContact O-N 3.41Å; S281-Y283 PolarHBondContact O-N 3.49Å; S281-F284 PolarHBondContact O-N 3.02Å
282T51.6Low42.7Very low72 Ų72129 Ų12944%0.44271%0.709SS.*G310 helixtrans-67.7-21.2178.249.50000113.5P279 I280 F284P279-T282 PolarHBondContact O-N 3.41Å; P279-T282 PolarHBondContact O-OG1 2.99Å; I280-T282 PolarHBondContact O-N 3.26Å; T282-F284 VanDerWaalsContact C-N 3.33Å
283Y53.6Low43.1Very low194 Ų194134.7 Ų134.776%0.76172%0.716SS**G310 helixtrans-77.7-14.3175.8-72.2-86.3000113.9I280 S281I280-Y283 PolarHBondContact O-N 3.29Å; I280-Y283 VanDerWaalsContact O-N 3.16Å; S281-Y283 PolarHBondContact O-N 3.49Å
284F51.7Low43.6Very low169 Ų169140.1 Ų140.174%0.74172%0.722SS**G310 helixtrans-95.40.5-177.4-66.8-78.3000114.1I280 S281 T282 K286I280-F284 HydrophobicContact CG2-CE2 4.4Å; I280-F284 WeakPolarHBondContact O-CD2 3.18Å; S281-F284 PolarHBondContact O-N 3.02Å; T282-F284 VanDerWaalsContact C-N 3.33Å; F284-K286 PolarHBondContact O-N 3.42Å
285I50.3Low43.8Very low123 Ų123143.8 Ų143.863%0.63173%0.725SS**SBendtrans-84.1108.2177.1-55.4179.1000109K287I285-K287 PolarHBondContact O-N 3.35Å
286K37.9Very low44.1Very low207 Ų207145.3 Ų145.390%0.973%0.732SS**  trans-50.9100.8172.7-87.3179.6170.21770111.4F284F284-K286 PolarHBondContact O-N 3.42Å
287K41.8Very low44.2Very low192 Ų192146 Ų14684%0.83573%0.729SS**  trans-144.1118.8161.2-80.3-165177-178.50111.7I285I285-K287 PolarHBondContact O-N 3.35Å
288G39.3Very low44.7Very low62 Ų62145 Ų14564%0.63973%0.726SS**SBendtrans72.3152146.700000117.5L290G288-L290 PolarHBondContact O-N 3.41Å
289P42.5Very low45Very low134 Ų134144.5 Ų144.587%0.8772%0.724SS**PPolyproline II helixtrans-64.9125.4-174.425.3-29.3000110.8
290L38.9Very low45.2Very low155 Ų155146.2 Ų146.281%0.81273%0.728SS**PPolyproline II helixtrans-65.4128.1-178.3-75119.6000110.6G288G288-L290 PolarHBondContact O-N 3.41Å
291P39.5Very low45.2Very low106 Ų106143.1 Ų143.169%0.68873%0.729SS**PPolyproline II helixtrans-59.8152.9165.323.8-30000110.3R293P291-R293 PolarHBondContact O-N 2.77Å
292P40.2Very low44.9Very low124 Ų124142.1 Ų142.181%0.80572%0.721SS**PPolyproline II helixtrans-54124.8-169.920.1-32000111.1R294P292-R294 PolarHBondContact O-N 3.39Å
293R40.1Very low44.7Very low233 Ų233142.5 Ų142.588%0.87973%0.731SS**  trans-53.9107.6-177.8-63173.894.8165.54.8108.8P291 R295P291-R293 PolarHBondContact O-N 2.77Å; R293-R295 PolarHBondContact O-N 2.9Å; R293-R295 VanDerWaalsContact O-N 3.14Å
294R42.8Very low44.9Very low227 Ų227141 Ų14186%0.85773%0.728SS**  trans-58.8116.9162.3-79-176.6169.5-174-2.5106.6P292 L296P292-R294 PolarHBondContact O-N 3.39Å; R294-L296 PolarHBondContact O-N 3.16Å
295R41.3Very low45.1Very low226 Ų226133.4 Ų133.485%0.85370%0.697SS**  trans-64.199.9174.4-71.7-174.1177.1-111.43.5107.2R293 F297R293-R295 PolarHBondContact O-N 2.9Å; R293-R295 VanDerWaalsContact O-N 3.14Å; R295-F297 PolarHBondContact O-N 2.88Å
296L41.2Very low45.2Very low150 Ų150133.6 Ų133.679%0.78570%0.695SS**SBendtrans-66.3-22.4175.5-104.492000111.9R294R294-L296 PolarHBondContact O-N 3.16Å
297F44.1Very low45.9Very low165 Ų165126 Ų12672%0.72467%0.671SS**  trans-125.5108177.3-56.5-77.4000108.6R295R295-F297 PolarHBondContact O-N 2.88Å
298G52.2Low46.6Very low57 Ų57122.6 Ų122.659%0.58865%0.654SS**  trans-104.4121.8166.500000108.1D300G298-D300 PolarHBondContact O-N 3.42Å
299F46.8Very low47.1Very low147 Ų147124.6 Ų124.665%0.64565%0.647SS**  trans-83.84.9176.7-78.8-90.9000112.4G301 T302 A305F299-G301 PolarHBondContact O-N 3.25Å; F299-T302 HydrophobicContact CB-CG2 4.42Å; F299-T302 HydrophobicContact CD1-CG2 3.81Å; F299-T302 WeakPolarHBondContact O-CB 3.2Å; F299-T302 PolarHBondContact O-N 3.29Å; F299-T302 PolarHBondContact O-OG1 2.66Å; F299-A305 WeakPolarHBondContact O-CB 3.38Å
300D52.1Low47.3Very low119 Ų119122.3 Ų122.364%0.63663%0.634SS**THydrogen-bonded Turntrans-62.6-20.2-169.6-58.7-18.9000113.6G298G298-D300 PolarHBondContact O-N 3.42Å
301G47.8Very low47.5Very low69 Ų69122.8 Ų122.871%0.71163%0.632SS**THydrogen-bonded Turntrans-96.97.1174.400000115F299F299-G301 PolarHBondContact O-N 3.25Å
302T46.7Very low47.6Very low54 Ų54127 Ų12733%0.33163%0.634SS.*SBendtrans-78.1145.6173.459.70000110.3F299 F304 A305 E306F299-T302 HydrophobicContact CB-CG2 4.42Å; F299-T302 HydrophobicContact CD1-CG2 3.81Å; F299-T302 WeakPolarHBondContact O-CB 3.2Å; F299-T302 PolarHBondContact O-N 3.29Å; F299-T302 PolarHBondContact O-OG1 2.66Å; T302-F304 PolarHBondContact O-N 2.73Å; T302-A305 WeakPolarHBondContact O-CA 3.3Å; T302-A305 PolarHBondContact O-N 3.09Å; T302-A305 PolarHBondContact OG1-N 3.01Å; T302-E306 PolarHBondContact O-N 2.89Å
303A48.6Very low47.2Very low80 Ų80128.4 Ų128.466%0.66163%0.627SS**Hα-helixtrans-52.3-30.8174.600000112.4A307A303-A307 WeakPolarHBondContact O-CB 3.31Å; A303-A307 PolarHBondContact O-N 2.91Å
304F57.9Low46.8Very low161 Ų161122 Ų12271%0.70662%0.616SS**Hα-helixtrans-67.4-43.9172.4-175.9-94.7000112.7T302 A307 Y308T302-F304 PolarHBondContact O-N 2.73Å; F304-A307 PolarHBondContact O-N 3.02Å; F304-Y308 WeakPolarHBondContact O-CB 3.43Å; F304-Y308 PolarHBondContact O-N 3.43Å
305A54.8Low46.2Very low10 Ų10117.6 Ų117.68%0.08362%0.62CS.*Hα-helixtrans-67.5-39.8175.900000111.8F299 T302 Y308 H309F299-A305 WeakPolarHBondContact O-CB 3.38Å; T302-A305 WeakPolarHBondContact O-CA 3.3Å; T302-A305 PolarHBondContact O-N 3.09Å; T302-A305 PolarHBondContact OG1-N 3.01Å; A305-Y308 PolarHBondContact O-N 3.13Å; A305-H309 VanDerWaalsContact O-CB 3.29Å; A305-H309 WeakPolarHBondContact O-CB 3.43Å; A305-H309 PolarHBondContact O-CD2 3.4Å; A305-H309 VanDerWaalsContact O-CG 3.28Å; A305-H309 PolarHBondContact O-N 2.81Å
306E52.7Low45.7Very low127 Ų127111.6 Ų111.659%0.59361%0.608SS**Hα-helixtrans-62.6-45.5173.4-70.4-170.6160.500111.7T302 H309 S310T302-E306 PolarHBondContact O-N 2.89Å; E306-H309 PolarHBondContact O-N 2.9Å; E306-S310 VanDerWaalsContact O-CB 3.27Å; E306-S310 WeakPolarHBondContact O-CB 3.13Å; E306-S310 PolarHBondContact O-N 3.21Å
307A52.1Low45.2Very low48 Ų48111.3 Ų111.340%0.39761%0.608SS.*Hα-helixtrans-63.2-44.1174.900000111.6A303 F304 H309 S310 E311A303-A307 WeakPolarHBondContact O-CB 3.31Å; A303-A307 PolarHBondContact O-N 2.91Å; F304-A307 PolarHBondContact O-N 3.02Å; A307-H309 VanDerWaalsContact C-N 3.32Å; A307-H309 PolarHBondContact O-N 2.94Å; A307-S310 CarbonylContact O-C 3.52Å; A307-S310 WeakPolarHBondContact O-CB 3.19Å; A307-S310 PolarHBondContact O-N 3.29Å; A307-S310 VanDerWaalsContact O-N 3.1Å; A307-E311 WeakPolarHBondContact O-CG 3.47Å; A307-E311 PolarHBondContact O-N 3.24Å
308Y56.1Low44.9Very low120 Ų120110 Ų11047%0.47161%0.613SS.*Hα-helixtrans-63.4-37.2177-171.8-94.2000112.1F304 A305F304-Y308 WeakPolarHBondContact O-CB 3.43Å; F304-Y308 PolarHBondContact O-N 3.43Å; A305-Y308 PolarHBondContact O-N 3.13Å
309H50.1Low43.8Very low105 Ų105110.9 Ų110.949%0.48661%0.61SS.*Hα-helixtrans-73-31172.5-74.6-54.3000112.7A305 E306 A307A305-H309 VanDerWaalsContact O-CB 3.29Å; A305-H309 WeakPolarHBondContact O-CB 3.43Å; A305-H309 PolarHBondContact O-CD2 3.4Å; A305-H309 VanDerWaalsContact O-CG 3.28Å; A305-H309 PolarHBondContact O-N 2.81Å; E306-H309 PolarHBondContact O-N 2.9Å; A307-H309 VanDerWaalsContact C-N 3.32Å; A307-H309 PolarHBondContact O-N 2.94Å
310S46.3Very low43Very low85 Ų85109.9 Ų109.959%0.59461%0.609SS**Hα-helixtrans-72.3-41175.6-166.90000111.8E306 A307 R312 K313E306-S310 VanDerWaalsContact O-CB 3.27Å; E306-S310 WeakPolarHBondContact O-CB 3.13Å; E306-S310 PolarHBondContact O-N 3.21Å; A307-S310 CarbonylContact O-C 3.52Å; A307-S310 WeakPolarHBondContact O-CB 3.19Å; A307-S310 PolarHBondContact O-N 3.29Å; A307-S310 VanDerWaalsContact O-N 3.1Å; S310-R312 PolarHBondContact O-N 3.23Å; S310-K313 PolarHBondContact O-N 3.45Å
311E45Very low42Very low166 Ų166109 Ų10978%0.77661%0.612SS**Hα-helixtrans-70.3-28.6-177.9-76.4-170.4176.600113.5A307 K313A307-E311 WeakPolarHBondContact O-CG 3.47Å; A307-E311 PolarHBondContact O-N 3.24Å; E311-K313 VanDerWaalsContact C-N 3.34Å
312R41.6Very low41.3Very low195 Ų195107.8 Ų107.874%0.73659%0.593SS**THydrogen-bonded Turntrans-85.1-3.3174.4-77.5-138.9-177.7-166.40.7114.5S310 P314S310-R312 PolarHBondContact O-N 3.23Å; R312-P314 WeakPolarHBondContact O-CD 3.38Å
313K31.3Very low40.8Very low153 Ų153107.8 Ų107.867%0.66560%0.598SS**SBendtrans-93.7102170-76.9-174.4178.4179.90108.5S310 E311S310-K313 PolarHBondContact O-N 3.45Å; E311-K313 VanDerWaalsContact C-N 3.34Å
314P30.3Very low40.3Very low99 Ų99113.3 Ų113.364%0.64361%0.61SS**  trans-54.4145.5167.623.7-31.4000108.8R312 T316R312-P314 WeakPolarHBondContact O-CD 3.38Å; P314-T316 PolarHBondContact O-N 3.49Å; P314-T316 PolarHBondContact O-OG1 3.1Å
315S31.2Very low39.5Very low134 Ų134115.3 Ų115.394%0.93761%0.613SS**SBendtrans-61.836.7-170.7-0.20000115.6
316T30.5Very low39Very low99 Ų99116.8 Ų116.861%0.60763%0.629SS**  trans-124.4113.7-173.829.80000109P314P314-T316 PolarHBondContact O-N 3.49Å; P314-T316 PolarHBondContact O-OG1 3.1Å
317D30.7Very low39.1Very low145 Ų145115.8 Ų115.878%0.77562%0.624SS**  trans56.2116153.3-55.8-28.8000117.2S319D317-S319 PolarHBondContact O-N 3.32Å
318V37.1Very low39.4Very low137 Ų137114 Ų11483%0.8361%0.609SS**SBendtrans-37.6110.3164.5177.60000109.1M320V318-M320 PolarHBondContact O-N 3.48Å; V318-M320 VanDerWaalsContact O-N 3.13Å
319S30.6Very low39.9Very low75 Ų75111.3 Ų111.352%0.52461%0.611SS.*  trans-42.5114.7-168.5-1700000113.4D317 S321D317-S319 PolarHBondContact O-N 3.32Å; S319-S321 PolarHBondContact O-N 2.74Å; S319-S321 WeakPolarHBondContact OG-CB 3.28Å; S319-S321 PolarHBondContact OG-N 2.7Å; S319-S321 PolarHBondContact OG-OG 2.95Å
320M28.5Very low41.2Very low127 Ų127108.3 Ų108.363%0.62660%0.601SS**G310 helixtrans-68.77.3165.8-78.4-121.564.100113.8V318 S322 A323V318-M320 PolarHBondContact O-N 3.48Å; V318-M320 VanDerWaalsContact O-N 3.13Å; M320-S322 PolarHBondContact O-N 3.09Å; M320-S322 VanDerWaalsContact O-N 3.16Å; M320-A323 HydrophobicContact CE-CB 3.84Å; M320-A323 WeakPolarHBondContact O-CB 3.47Å; M320-A323 PolarHBondContact O-N 3.48Å
321S31.7Very low42.8Very low100 Ų100105 Ų10570%0.69958%0.577SS**G310 helixtrans-73.4-3.6-173.975.90000115.8S319S319-S321 PolarHBondContact O-N 2.74Å; S319-S321 WeakPolarHBondContact OG-CB 3.28Å; S319-S321 PolarHBondContact OG-N 2.7Å; S319-S321 PolarHBondContact OG-OG 2.95Å
322S32.8Very low44.4Very low44 Ų4497.4 Ų97.431%0.30854%0.542SS..G310 helixtrans-100.45.8171.3-97.70000113.9M320 E324 R325 E327M320-S322 PolarHBondContact O-N 3.09Å; M320-S322 VanDerWaalsContact O-N 3.16Å; S322-E324 PolarHBondContact O-N 2.99Å; S322-R325 PolarHBondContact O-N 2.85Å; S322-E327 PolarHBondContact OG-OE2 3.11Å
323A36.2Very low46.4Very low53 Ų5397.7 Ų97.744%0.43854%0.543SS..G310 helixtrans-61.6-28.317800000113.3M320 R325M320-A323 HydrophobicContact CE-CB 3.84Å; M320-A323 WeakPolarHBondContact O-CB 3.47Å; M320-A323 PolarHBondContact O-N 3.48Å; A323-R325 PolarHBondContact O-N 3.47Å
324E38.4Very low48.9Very low196 Ų19693.5 Ų93.592%0.91653%0.532SS*.G310 helixtrans-72.8-12.4179.7-69.7-174.2167.100114.1S322S322-E324 PolarHBondContact O-N 2.99Å
325R40.9Very low51.4Low204 Ų20489.4 Ų89.477%0.7751%0.507SS*.G310 helixtrans-115.25.5-179.6-89.7-167.1-90-139.6-4.8115.6S322 A323 E327S322-R325 PolarHBondContact O-N 2.85Å; A323-R325 PolarHBondContact O-N 3.47Å; R325-E327 HydrophobicContact CB-CG 4.12Å; R325-E327 PolarHBondContact O-N 2.63Å; R325-E327 VanDerWaalsContact O-N 3.07Å
326G45.1Very low53.8Low41 Ų4185.5 Ų85.542%0.42348%0.479SS..THydrogen-bonded Turntrans59.319.4-174.900000112.9V328G326-V328 PolarHBondContact O-N 2.84Å
327E54.3Low56.1Low105 Ų10585 Ų8549%0.49147%0.47SS..  trans-76.2108.9177.9-80.1176.4177.200108.2S322 R325 A329S322-E327 PolarHBondContact OG-OE2 3.11Å; R325-E327 HydrophobicContact CB-CG 4.12Å; R325-E327 PolarHBondContact O-N 2.63Å; R325-E327 VanDerWaalsContact O-N 3.07Å; E327-A329 PolarHBondContact O-N 3.34Å
328V59.5Low58.7Low12 Ų1278.9 Ų78.97%0.07344%0.437CS..  trans-62.2107.5172.3-178.10000107.6W169 V173 Y174 M256 G326W169-V328 HydrophobicContact CZ2-CB 4.42Å; W169-V328 HydrophobicContact CZ2-CG2 4.14Å; V173-V328 HydrophobicContact CG1-CG1 4.47Å; V173-V328 HydrophobicContact CG1-CG2 4.25Å; Y174-V328 HydrophobicContact CD2-CG2 3.99Å; M256-V328 HydrophobicContact CE-CG1 4.46Å; G326-V328 PolarHBondContact O-N 2.84Å
329A66.9Low61.1Low62 Ų6272.8 Ų72.851%0.51240%0.4SS..  trans-62.9138.6170.800000109.4E327 I331E327-A329 PolarHBondContact O-N 3.34Å; A329-I331 PolarHBondContact O-N 3.5Å
330C76Confident63.4Low42 Ų4272.9 Ų72.928%0.28439%0.39SS..  trans-68.5130.6176.6-68.90000110.6M256 Y257 C332 P334M256-C330 VanDerWaalsContact CG-SG 3.5Å; Y257-C330 HydrophobicContact CD1-CB 4.39Å; Y257-C330 HydrophobicContact CE1-CB 3.9Å; C330-C332 VanDerWaalsContact C-N 3.35Å; C330-C332 VanDerWaalsContact CB-O 3.27Å; C330-C332 WeakPolarHBondContact CB-O 3.43Å; C330-P334 HydrophobicContact CB-CG 4.05Å
331I79.6Confident66Low16 Ų1668 Ų688%0.08237%0.37CS..SBendtrans-58.9-44.8174.5-72177.8000111.1I180 H185 L200 Y257 A329I180-I331 HydrophobicContact CB-CD1 3.86Å; I180-I331 HydrophobicContact CG1-CD1 4.23Å; I180-I331 HydrophobicContact CG2-CD1 3.9Å; I180-I331 HydrophobicContact CG2-CG2 4.38Å; H185-I331 WeakPolarHBondContact CE1-CG2 3.47Å; H185-I331 WeakPolarHBondContact NE2-CG2 3.28Å; H185-I331 PolarHBondContact NE2-O 3.09Å; H185-I331 VanDerWaalsContact NE2-O 3.08Å; L200-I331 HydrophobicContact CB-CD1 3.81Å; L200-I331 HydrophobicContact CD1-CD1 4.17Å; L200-I331 HydrophobicContact CD2-CD1 3.51Å; L200-I331 HydrophobicContact CG-CD1 4Å; Y257-I331 HydrophobicContact CE1-CB 4.14Å; Y257-I331 WeakPolarHBondContact OH-CB 3.1Å; Y257-I331 VanDerWaalsContact OH-CG1 3.32Å; Y257-I331 WeakPolarHBondContact OH-CG1 3.44Å; Y257-I331 PolarHBondContact OH-N 3.34Å; A329-I331 PolarHBondContact O-N 3.5Å
332C80.2Confident68.8Low6 Ų663.2 Ų63.24%0.04134%0.336CS..SBendtrans-118.6166.3176.261.70000111.4E193 Y257 C330 P334E193-C332 HydrophobicContact CB-CB 3.67Å; E193-C332 HydrophobicContact CG-CB 4.09Å; Y257-C332 VanDerWaalsContact CD1-SG 3.56Å; C330-C332 VanDerWaalsContact C-N 3.35Å; C330-C332 VanDerWaalsContact CB-O 3.27Å; C330-C332 WeakPolarHBondContact CB-O 3.43Å; C332-P334 WeakPolarHBondContact O-CD 3.34Å
333R82.8Confident71.4Confident201 Ų20161.3 Ų61.376%0.75832%0.323SS*.  trans-60.8125.2176-67.8-178.6180-178.8-0.8110.2E193 G335 N338E193-R333 PolarHBondContact OE2-N 2.84Å; E193-R333 VanDerWaalsContact OE2-N 3.14Å; R333-G335 PolarHBondContact O-N 3.45Å; R333-N338 PolarHBondContact O-ND2 2.99Å
334P83.7Confident73.7Confident66 Ų6666 Ų6643%0.42933%0.329SS..  trans-61.2133.1176.7-26.636.6000112Y257 N259 C330 C332Y257-P334 WeakPolarHBondContact O-CA 3.47Å; N259-P334 HydrophobicContact CB-CB 4.2Å; C330-P334 HydrophobicContact CB-CG 4.05Å; C332-P334 WeakPolarHBondContact O-CD 3.34Å
335G83.4Confident76.2Confident13 Ų1358 Ų5813%0.13429%0.292CS..SBendtrans173.8165.4178.900000114.2Y257 R333 Q337 N338Y257-G335 PolarHBondContact O-N 3.25Å; R333-G335 PolarHBondContact O-N 3.45Å; G335-Q337 PolarHBondContact O-N 2.61Å; G335-N338 PolarHBondContact N-ND2 3.45Å; G335-N338 WeakPolarHBondContact O-CB 3.41Å; G335-N338 PolarHBondContact O-N 2.94Å; G335-N338 PolarHBondContact O-ND2 2.79Å
336P80.6Confident78.7Confident51 Ų5148.3 Ų48.333%0.33126%0.256SS..G310 helixtrans-62.4-29.2-175.423.2-33000113.2N338 I339 Y371 F376P336-N338 PolarHBondContact O-N 3.14Å; P336-N338 VanDerWaalsContact O-N 3.16Å; P336-I339 WeakPolarHBondContact O-CB 3.44Å; P336-I339 WeakPolarHBondContact O-CG2 3.43Å; P336-I339 PolarHBondContact O-N 2.89Å; P336-I339 VanDerWaalsContact O-N 3.11Å; P336-Y371 WeakPolarHBondContact CA-OH 3.48Å; P336-F376 HydrophobicContact CB-CD2 3.79Å; P336-F376 HydrophobicContact CB-CE2 4.13Å; P336-F376 WeakPolarHBondContact O-CE2 3.49Å
337Q80.1Confident80.9Confident90 Ų9047.8 Ų47.842%0.42124%0.243SC..G310 helixtrans-62.2-23.8-179.2-61.2-60.6-28.100113.1G335 I339 K340G335-Q337 PolarHBondContact O-N 2.61Å; Q337-I339 PolarHBondContact O-N 3.5Å; Q337-I339 VanDerWaalsContact O-N 3.12Å; Q337-K340 WeakPolarHBondContact O-CB 3.24Å; Q337-K340 PolarHBondContact O-N 3.09Å
338N85Confident82.5Confident16 Ų1650.2 Ų50.29%0.08625%0.247CC..G310 helixtrans-60.9-21.5176.8-70.7-25.1000112.7L197 Y257 L258 R333 G335 P336 K340 A341 A342L197-N338 HydrophobicContact CD2-CB 3.64Å; Y257-N338 PolarHBondContact O-ND2 3.43Å; L258-N338 HydrophobicContact CD2-CB 4.08Å; R333-N338 PolarHBondContact O-ND2 2.99Å; G335-N338 PolarHBondContact N-ND2 3.45Å; G335-N338 WeakPolarHBondContact O-CB 3.41Å; G335-N338 PolarHBondContact O-N 2.94Å; G335-N338 PolarHBondContact O-ND2 2.79Å; P336-N338 PolarHBondContact O-N 3.14Å; P336-N338 VanDerWaalsContact O-N 3.16Å; N338-K340 PolarHBondContact O-N 3.39Å; N338-A341 PolarHBondContact O-N 3.18Å; N338-A342 PolarHBondContact O-N 2.88Å; N338-A342 VanDerWaalsContact O-N 3.11Å
339I86.8Confident84.2Confident9 Ų949.7 Ų49.75%0.04624%0.244CC..Hα-helixtrans-60-32174.9-161.657.9000112.1L258 P336 Q337 A341 A342 F343 Y371 I372 F376L258-I339 HydrophobicContact CD1-CD1 4Å; L258-I339 HydrophobicContact CD2-CB 3.82Å; L258-I339 HydrophobicContact CD2-CD1 4.13Å; P336-I339 WeakPolarHBondContact O-CB 3.44Å; P336-I339 WeakPolarHBondContact O-CG2 3.43Å; P336-I339 PolarHBondContact O-N 2.89Å; P336-I339 VanDerWaalsContact O-N 3.11Å; Q337-I339 PolarHBondContact O-N 3.5Å; Q337-I339 VanDerWaalsContact O-N 3.12Å; I339-A341 VanDerWaalsContact C-N 3.25Å; I339-A341 PolarHBondContact O-N 3.38Å; I339-A342 PolarHBondContact O-N 3.07Å; I339-F343 HydrophobicContact CD1-CB 4.34Å; I339-F343 HydrophobicContact CD1-CD2 4.48Å; I339-F343 HydrophobicContact CG1-CB 4.3Å; I339-F343 WeakPolarHBondContact O-CB 3.45Å; I339-F343 PolarHBondContact O-N 3.36Å; I339-Y371 HydrophobicContact CB-CE1 4.47Å; I339-Y371 HydrophobicContact CD1-CD1 4.4Å; I339-Y371 HydrophobicContact CD1-CE1 4.48Å; I339-Y371 HydrophobicContact CG1-CE1 4.42Å; I339-I372 HydrophobicContact CG1-CG1 4.38Å; I339-F376 HydrophobicContact CG2-CD1 4.09Å; I339-F376 HydrophobicContact CG2-CD2 3.67Å; I339-F376 HydrophobicContact CG2-CE1 3.82Å; I339-F376 HydrophobicContact CG2-CE2 3.39Å; I339-F376 HydrophobicContact CG2-CG 4.01Å; I339-F376 HydrophobicContact CG2-CZ 3.47Å; I339-F376 VanDerWaalsContact CG2-CZ 3.47Å
340K80Confident85.3Confident77 Ų7746.7 Ų46.734%0.33522%0.22SC..Hα-helixtrans-60.1-37.6179.3-66.4175.5170.1173.30111.7Q337 N338 I445Q337-K340 WeakPolarHBondContact O-CB 3.24Å; Q337-K340 PolarHBondContact O-N 3.09Å; N338-K340 PolarHBondContact O-N 3.39Å; K340-I445 HydrophobicContact CD-CG1 4.34Å; K340-I445 VanDerWaalsContact CE-CD1 3.43Å; K340-I445 HydrophobicContact CG-CG1 4.33Å
341A82.5Confident85.9Confident23 Ų2347.6 Ų47.619%0.1923%0.227CC..Hα-helixtrans-81.1-36.517800000112.3A194 A198 N338 I339A194-A341 HydrophobicContact CB-CB 4.17Å; A194-A341 WeakPolarHBondContact O-CB 3.35Å; A198-A341 HydrophobicContact CB-CB 4.47Å; N338-A341 PolarHBondContact O-N 3.18Å; I339-A341 VanDerWaalsContact C-N 3.25Å; I339-A341 PolarHBondContact O-N 3.38Å
342A89.1Confident86.4Confident0 Ų049.5 Ų49.50%024%0.235CC..Hα-helixtrans-83.9-37.1-17300000114.1L201 L254 N338 I339 R344 L345 V346L201-A342 HydrophobicContact CD1-CB 3.55Å; L254-A342 HydrophobicContact CD2-CB 4.11Å; N338-A342 PolarHBondContact O-N 2.88Å; N338-A342 VanDerWaalsContact O-N 3.11Å; I339-A342 PolarHBondContact O-N 3.07Å; A342-R344 PolarHBondContact O-N 2.9Å; A342-L345 PolarHBondContact O-N 3.25Å; A342-L345 VanDerWaalsContact O-N 3.1Å; A342-V346 HydrophobicContact CB-CG2 4.35Å; A342-V346 WeakPolarHBondContact O-CG2 3.32Å; A342-V346 PolarHBondContact O-N 2.9Å
343F88Confident86.8Confident5 Ų549.2 Ų49.22%0.02223%0.233CC..Hα-helixtrans-54.7-53.8-163.6-178.6-98.6000113.5I339 L345 V346 M347 V368 I372 S448 T449I339-F343 HydrophobicContact CD1-CB 4.34Å; I339-F343 HydrophobicContact CD1-CD2 4.48Å; I339-F343 HydrophobicContact CG1-CB 4.3Å; I339-F343 WeakPolarHBondContact O-CB 3.45Å; I339-F343 PolarHBondContact O-N 3.36Å; F343-L345 VanDerWaalsContact C-N 3.29Å; F343-L345 PolarHBondContact O-N 3.21Å; F343-V346 PolarHBondContact O-N 3.34Å; F343-M347 HydrophobicContact CD1-CG 4.21Å; F343-M347 HydrophobicContact CD2-CG 3.94Å; F343-M347 HydrophobicContact CE1-CG 3.77Å; F343-M347 HydrophobicContact CE2-CG 3.5Å; F343-M347 VanDerWaalsContact CE2-CG 3.5Å; F343-M347 HydrophobicContact CE2-SD 4.04Å; F343-M347 HydrophobicContact CG-CG 4.3Å; F343-M347 HydrophobicContact CZ-CG 3.42Å; F343-M347 VanDerWaalsContact CZ-CG 3.42Å; F343-M347 HydrophobicContact CZ-SD 4.23Å; F343-M347 WeakPolarHBondContact O-CB 3.33Å; F343-M347 WeakPolarHBondContact O-CG 3.09Å; F343-M347 PolarHBondContact O-N 3.1Å; F343-V368 HydrophobicContact CD2-CG1 3.75Å; F343-V368 HydrophobicContact CE2-CG1 3.78Å; F343-I372 HydrophobicContact CD2-CD1 3.33Å; F343-I372 HydrophobicContact CE2-CD1 3.15Å; F343-I372 HydrophobicContact CG-CD1 4.43Å; F343-I372 HydrophobicContact CZ-CD1 4.16Å; F343-S448 WeakPolarHBondContact CD1-O 3.48Å; F343-T449 HydrophobicContact CD1-CG2 3.87Å; F343-T449 HydrophobicContact CD2-CG2 4.34Å; F343-T449 HydrophobicContact CE1-CG2 3.4Å; F343-T449 VanDerWaalsContact CE1-CG2 3.4Å; F343-T449 HydrophobicContact CE2-CG2 3.9Å; F343-T449 HydrophobicContact CG-CG2 4.32Å; F343-T449 HydrophobicContact CZ-CG2 3.39Å
344R85.8Confident87.2Confident152 Ų15240.9 Ų40.957%0.57420%0.203SC*.Hα-helixtrans-60.7-39-178.5-70.4-167-66.8-153.2-1.1112.6A342 R348 S448A342-R344 PolarHBondContact O-N 2.9Å; R344-R348 WeakPolarHBondContact O-CB 3.43Å; R344-R348 PolarHBondContact O-N 3.4Å; R344-R348 VanDerWaalsContact O-N 3.12Å; R344-S448 VanDerWaalsContact CG-O 3.27Å; R344-S448 WeakPolarHBondContact CG-O 3.39Å
345L90.9Very high87.4Confident26 Ų2642 Ų4214%0.13622%0.217CC..Hα-helixtrans-68.2-48.1179.9-64.1175.9000110.8A198 L201 R202 F205 A342 F343 R348 F349A198-L345 HydrophobicContact CB-CD1 3.8Å; A198-L345 VanDerWaalsContact O-CD1 3.29Å; A198-L345 WeakPolarHBondContact O-CD1 3.49Å; L201-L345 HydrophobicContact CB-CD1 4.25Å; R202-L345 HydrophobicContact CG-CD1 4.01Å; R202-L345 HydrophobicContact CG-CD2 3.87Å; F205-L345 HydrophobicContact CE2-CB 3.98Å; F205-L345 WeakPolarHBondContact CE2-O 3.38Å; A342-L345 PolarHBondContact O-N 3.25Å; A342-L345 VanDerWaalsContact O-N 3.1Å; F343-L345 VanDerWaalsContact C-N 3.29Å; F343-L345 PolarHBondContact O-N 3.21Å; L345-R348 PolarHBondContact O-N 2.88Å; L345-F349 PolarHBondContact O-N 2.96Å; L345-F349 VanDerWaalsContact O-N 3.08Å
346V92.8Very high87.3Confident2 Ų247.3 Ų47.31%0.01224%0.237CC..Hα-helixtrans-63.3-45.7179.91770000110.5L201 F205 L254 A342 F343 R348 F349 V350 L364 V368L201-V346 HydrophobicContact CD1-CG2 4.38Å; F205-V346 HydrophobicContact CZ-CG2 4.02Å; L254-V346 HydrophobicContact CD1-CG1 4.13Å; L254-V346 HydrophobicContact CD1-CG2 3.92Å; L254-V346 HydrophobicContact CD2-CG2 4.12Å; A342-V346 HydrophobicContact CB-CG2 4.35Å; A342-V346 WeakPolarHBondContact O-CG2 3.32Å; A342-V346 PolarHBondContact O-N 2.9Å; F343-V346 PolarHBondContact O-N 3.34Å; V346-R348 VanDerWaalsContact C-N 3.33Å; V346-R348 PolarHBondContact O-N 2.89Å; V346-F349 PolarHBondContact O-N 3.35Å; V346-F349 VanDerWaalsContact O-N 3.15Å; V346-V350 HydrophobicContact CG1-CG2 4.18Å; V346-V350 WeakPolarHBondContact O-CB 3.47Å; V346-V350 VanDerWaalsContact O-CG2 3.28Å; V346-V350 WeakPolarHBondContact O-CG2 3.46Å; V346-V350 PolarHBondContact O-N 2.79Å; V346-L364 HydrophobicContact CG1-CD1 4.13Å; V346-L364 HydrophobicContact CG1-CD2 3.87Å; V346-L364 HydrophobicContact CG1-CG 3.9Å; V346-V368 HydrophobicContact CG1-CG2 3.77Å
347M90.2Very high87.3Confident29 Ų2945.7 Ų45.714%0.14323%0.225CC..Hα-helixtrans-67.4-31.5-179.1-69.4-55.9-68.600113.5F343 S351 R365 V368F343-M347 HydrophobicContact CD1-CG 4.21Å; F343-M347 HydrophobicContact CD2-CG 3.94Å; F343-M347 HydrophobicContact CE1-CG 3.77Å; F343-M347 HydrophobicContact CE2-CG 3.5Å; F343-M347 VanDerWaalsContact CE2-CG 3.5Å; F343-M347 HydrophobicContact CE2-SD 4.04Å; F343-M347 HydrophobicContact CG-CG 4.3Å; F343-M347 HydrophobicContact CZ-CG 3.42Å; F343-M347 VanDerWaalsContact CZ-CG 3.42Å; F343-M347 HydrophobicContact CZ-SD 4.23Å; F343-M347 WeakPolarHBondContact O-CB 3.33Å; F343-M347 WeakPolarHBondContact O-CG 3.09Å; F343-M347 PolarHBondContact O-N 3.1Å; M347-S351 PolarHBondContact O-N 3.34Å; M347-S351 VanDerWaalsContact O-N 3.13Å; M347-S351 PolarHBondContact O-OG 3.37Å; M347-R365 HydrophobicContact CE-CG 4.33Å; M347-V368 HydrophobicContact SD-CG1 4.28Å
348R89.3Confident87Confident156 Ų15646.8 Ų46.859%0.58924%0.242SC*.Hα-helixtrans-63.9-48.5170-177.5175.5175.4169.5-0.3110.6R344 L345 V346 V350 S351 E352R344-R348 WeakPolarHBondContact O-CB 3.43Å; R344-R348 PolarHBondContact O-N 3.4Å; R344-R348 VanDerWaalsContact O-N 3.12Å; L345-R348 PolarHBondContact O-N 2.88Å; V346-R348 VanDerWaalsContact C-N 3.33Å; V346-R348 PolarHBondContact O-N 2.89Å; R348-V350 PolarHBondContact O-N 3.3Å; R348-S351 PolarHBondContact O-N 2.64Å; R348-E352 IonicContact NE-OE1 2.73Å; R348-E352 PolarHBondContact O-N 2.96Å
349F93.7Very high86.6Confident1 Ų152.6 Ų52.60%0.00427%0.274CS..Hα-helixtrans-64-40.5178.8-169.7-118.5000112.7F205 F208 R209 W243 V246 I250 L345 V346 S351 E352 I353F205-F349 HydrophobicContact CB-CD2 3.91Å; F205-F349 HydrophobicContact CB-CE2 4.01Å; F205-F349 HydrophobicContact CB-CG 4.33Å; F205-F349 AromaticContact CD1-CD1 3.81Å; F205-F349 HydrophobicContact CD1-CD1 3.81Å; F205-F349 HydrophobicContact CD1-CD2 4.38Å; F205-F349 HydrophobicContact CD1-CE1 4.01Å; F205-F349 HydrophobicContact CD1-CG 4Å; F205-F349 HydrophobicContact CD1-CZ 4.36Å; F205-F349 HydrophobicContact CD2-CB 3.83Å; F205-F349 HydrophobicContact CD2-CD2 4.32Å; F205-F349 HydrophobicContact CD2-CG 4.01Å; F205-F349 AromaticContact CE1-CD1 3.94Å; F205-F349 HydrophobicContact CE1-CD1 3.94Å; F205-F349 HydrophobicContact CE1-CE1 4.39Å; F205-F349 HydrophobicContact CE1-CG 4.32Å; F205-F349 HydrophobicContact CE2-CB 3.85Å; F205-F349 HydrophobicContact CE2-CG 4.31Å; F205-F349 HydrophobicContact CG-CB 4.21Å; F205-F349 HydrophobicContact CG-CD1 4.16Å; F205-F349 AromaticContact CG-CD2 3.96Å; F205-F349 HydrophobicContact CG-CD2 3.96Å; F205-F349 HydrophobicContact CG-CE2 4.34Å; F205-F349 AromaticContact CG-CG 3.85Å; F205-F349 HydrophobicContact CG-CG 3.85Å; F205-F349 HydrophobicContact CZ-CB 4.24Å; F205-F349 HydrophobicContact CZ-CD1 4.36Å; F205-F349 HydrophobicContact CZ-CG 4.46Å; F208-F349 HydrophobicContact CB-CZ 4.28Å; R209-F349 HydrophobicContact CG-CE2 4.22Å; W243-F349 HydrophobicContact CH2-CZ 4.49Å; W243-F349 HydrophobicContact CZ3-CE2 4.42Å; W243-F349 AromaticContact CZ3-CZ 3.83Å; W243-F349 HydrophobicContact CZ3-CZ 3.83Å; V246-F349 HydrophobicContact CG1-CE1 4.06Å; V246-F349 HydrophobicContact CG1-CZ 4.25Å; I250-F349 HydrophobicContact CD1-CD1 3.76Å; I250-F349 HydrophobicContact CD1-CE1 3.38Å; I250-F349 HydrophobicContact CD1-CZ 4.47Å; L345-F349 PolarHBondContact O-N 2.96Å; L345-F349 VanDerWaalsContact O-N 3.08Å; V346-F349 PolarHBondContact O-N 3.35Å; V346-F349 VanDerWaalsContact O-N 3.15Å; F349-S351 VanDerWaalsContact C-N 3.29Å; F349-S351 PolarHBondContact O-N 2.7Å; F349-E352 WeakPolarHBondContact O-CB 3.28Å; F349-E352 PolarHBondContact O-N 2.97Å; F349-E352 VanDerWaalsContact O-N 3.1Å; F349-I353 HydrophobicContact CD1-CD1 3.79Å; F349-I353 HydrophobicContact CD1-CG1 4.37Å; F349-I353 HydrophobicContact CE1-CD1 3.6Å; F349-I353 HydrophobicContact CE1-CG1 4.18Å; F349-I353 HydrophobicContact CZ-CD1 4.29Å; F349-I353 HydrophobicContact CZ-CG1 4.44Å; F349-I353 WeakPolarHBondContact O-CG1 3.39Å; F349-I353 PolarHBondContact O-N 2.84Å
350V91.2Very high86.3Confident0 Ų056 Ų560%030%0.296CS..Hα-helixtrans-53.6-45.8171.9156.50000111.6V346 R348 E352 I353 E354 L364 R365V346-V350 HydrophobicContact CG1-CG2 4.18Å; V346-V350 WeakPolarHBondContact O-CB 3.47Å; V346-V350 VanDerWaalsContact O-CG2 3.28Å; V346-V350 WeakPolarHBondContact O-CG2 3.46Å; V346-V350 PolarHBondContact O-N 2.79Å; R348-V350 PolarHBondContact O-N 3.3Å; V350-E352 VanDerWaalsContact C-N 3.27Å; V350-E352 PolarHBondContact O-N 3.49Å; V350-I353 PolarHBondContact O-N 2.58Å; V350-E354 WeakPolarHBondContact O-CG 3.4Å; V350-E354 PolarHBondContact O-N 3.03Å; V350-L364 HydrophobicContact CG2-CB 3.95Å; V350-L364 HydrophobicContact CG2-CD2 3.74Å; V350-L364 HydrophobicContact CG2-CG 3.66Å; V350-R365 HydrophobicContact CG1-CB 3.66Å; V350-R365 HydrophobicContact CG1-CG 4.24Å
351S89.1Confident86.4Confident61 Ų6156.1 Ų56.143%0.42731%0.305SS..Hα-helixtrans-65.9-33.1180-53.10000111.9M347 R348 F349 A355M347-S351 PolarHBondContact O-N 3.34Å; M347-S351 VanDerWaalsContact O-N 3.13Å; M347-S351 PolarHBondContact O-OG 3.37Å; R348-S351 PolarHBondContact O-N 2.64Å; F349-S351 VanDerWaalsContact C-N 3.29Å; F349-S351 PolarHBondContact O-N 2.7Å; S351-A355 PolarHBondContact O-N 2.85Å
352E89.7Confident86.8Confident55 Ų5555.1 Ų55.126%0.25730%0.297SS..Hα-helixtrans-70.8-39.6174-65.3174.9-144.600112.7R209 R348 F349 V350 A355R209-E352 IonicContact CZ-OE1 2.75Å; R209-E352 IonicContact CZ-OE2 2.72Å; R209-E352 IonicContact NE-OE2 3.25Å; R209-E352 PolarHBondContact NE-OE2 3.22Å; R209-E352 IonicContact NH2-OE1 3.84Å; R209-E352 PolarHBondContact NH2-OE1 3.18Å; R209-E352 IonicContact NH2-OE2 2.94Å; R209-E352 PolarHBondContact NH2-OE2 3.07Å; R348-E352 IonicContact NE-OE1 2.73Å; R348-E352 PolarHBondContact O-N 2.96Å; F349-E352 WeakPolarHBondContact O-CB 3.28Å; F349-E352 PolarHBondContact O-N 2.97Å; F349-E352 VanDerWaalsContact O-N 3.1Å; V350-E352 VanDerWaalsContact C-N 3.27Å; V350-E352 PolarHBondContact O-N 3.49Å; E352-A355 PolarHBondContact O-N 2.91Å
353I88.8Confident86.9Confident0 Ų061.9 Ų61.90%032%0.322CS..Hα-helixtrans-62-47.7174.4-65.7173.4000109.6W243 Q247 F349 V350 A355 K356 I357 C362W243-I353 HydrophobicContact CE3-CD1 4.17Å; W243-I353 HydrophobicContact CE3-CG1 3.79Å; W243-I353 HydrophobicContact CE3-CG2 4.43Å; W243-I353 HydrophobicContact CH2-CG1 4.47Å; W243-I353 HydrophobicContact CZ3-CD1 4.22Å; W243-I353 HydrophobicContact CZ3-CG1 3.67Å; Q247-I353 HydrophobicContact CG-CD1 3.95Å; F349-I353 HydrophobicContact CD1-CD1 3.79Å; F349-I353 HydrophobicContact CD1-CG1 4.37Å; F349-I353 HydrophobicContact CE1-CD1 3.6Å; F349-I353 HydrophobicContact CE1-CG1 4.18Å; F349-I353 HydrophobicContact CZ-CD1 4.29Å; F349-I353 HydrophobicContact CZ-CG1 4.44Å; F349-I353 WeakPolarHBondContact O-CG1 3.39Å; F349-I353 PolarHBondContact O-N 2.84Å; V350-I353 PolarHBondContact O-N 2.58Å; I353-A355 PolarHBondContact O-N 3.48Å; I353-K356 CarbonylContact O-C 3.21Å; I353-K356 WeakPolarHBondContact O-CA 3.12Å; I353-K356 WeakPolarHBondContact O-CB 3.45Å; I353-K356 PolarHBondContact O-N 3.16Å; I353-I357 HydrophobicContact CG2-CD1 4.29Å; I353-I357 HydrophobicContact CG2-CG1 4.47Å; I353-I357 HydrophobicContact CG2-CG2 3.95Å; I353-I357 WeakPolarHBondContact O-CG1 3.37Å; I353-I357 PolarHBondContact O-N 3.19Å; I353-C362 HydrophobicContact CG2-CB 4.2Å
354E89.9Confident87.1Confident27 Ų2761.7 Ų61.713%0.12632%0.321CS..Hα-helixtrans-62.8-26-179.6-74.5179.8174.300114.2V350 K356 P360 P361 C362 R365V350-E354 WeakPolarHBondContact O-CG 3.4Å; V350-E354 PolarHBondContact O-N 3.03Å; E354-K356 PolarHBondContact O-N 2.82Å; E354-P360 HydrophobicContact CB-CB 4.25Å; E354-P360 HydrophobicContact CG-CB 3.99Å; E354-P361 VanDerWaalsContact OE1-CA 3.26Å; E354-P361 WeakPolarHBondContact OE1-CA 3.23Å; E354-C362 HydrophobicContact CG-CB 3.82Å; E354-C362 PolarHBondContact OE1-N 3.02Å; E354-R365 WeakPolarHBondContact OE1-CD 3.49Å; E354-R365 IonicContact OE1-CZ 3.63Å; E354-R365 IonicContact OE1-NE 2.69Å; E354-R365 PolarHBondContact OE1-NE 3.42Å; E354-R365 IonicContact OE1-NH1 2.88Å; E354-R365 PolarHBondContact OE1-NH1 3.03Å; E354-R365 IonicContact OE1-NH2 3.75Å; E354-R365 IonicContact OE2-CZ 3.1Å; E354-R365 IonicContact OE2-NE 3.21Å; E354-R365 IonicContact OE2-NH1 3.72Å; E354-R365 PolarHBondContact OE2-NH1 2.99Å; E354-R365 IonicContact OE2-NH2 2.79Å; E354-R365 PolarHBondContact OE2-NH2 2.79Å
355A88.1Confident87.4Confident88 Ų8857.1 Ų57.173%0.72730%0.304SS*.THydrogen-bonded Turntrans-72-18171.200000113.1S351 E352 I353S351-A355 PolarHBondContact O-N 2.85Å; E352-A355 PolarHBondContact O-N 2.91Å; I353-A355 PolarHBondContact O-N 3.48Å
356K82.6Confident87.4Confident125 Ų12559.9 Ų59.954%0.54332%0.322SS..THydrogen-bonded Turntrans-106.1-19.5-176.5-65.1179.7179.6-173.50113.8W243 I353 E354W243-K356 HydrophobicContact CH2-CD 4.36Å; W243-K356 HydrophobicContact CZ2-CD 3.6Å; I353-K356 CarbonylContact O-C 3.21Å; I353-K356 WeakPolarHBondContact O-CA 3.12Å; I353-K356 WeakPolarHBondContact O-CB 3.45Å; I353-K356 PolarHBondContact O-N 3.16Å; E354-K356 PolarHBondContact O-N 2.82Å
357I80.6Confident87.4Confident18 Ų1861.7 Ų61.79%0.09233%0.329CS..SBendtrans-101.4151.117867.1167.7000110.9Q240 I353 C362Q240-I357 VanDerWaalsContact OE1-CG2 3.31Å; I353-I357 HydrophobicContact CG2-CD1 4.29Å; I353-I357 HydrophobicContact CG2-CG1 4.47Å; I353-I357 HydrophobicContact CG2-CG2 3.95Å; I353-I357 WeakPolarHBondContact O-CG1 3.37Å; I353-I357 PolarHBondContact O-N 3.19Å; I357-C362 HydrophobicContact CD1-CB 3.64Å
358S73.3Confident87.4Confident112 Ų11260.4 Ų60.478%0.78332%0.323SS*.SBendtrans-76.2-23.7-176-46.20000114.5P360S358-P360 WeakPolarHBondContact O-CD 3.29Å
359N76.4Confident87.4Confident138 Ų13855.1 Ų55.174%0.73831%0.307SS*.SBendtrans-125.279.6-168.8-67.3-23.7000112.9
360P79.3Confident87.3Confident80 Ų8056.9 Ų56.952%0.51932%0.319SS..SBendtrans-70.9153.5167.929.9-34.1000111.9E354 S358E354-P360 HydrophobicContact CB-CB 4.25Å; E354-P360 HydrophobicContact CG-CB 3.99Å; S358-P360 WeakPolarHBondContact O-CD 3.29Å
361P84.1Confident87.3Confident80 Ų8057.5 Ų57.552%0.51932%0.322SS..SBendcis-78.2145.61.431.8-34.5000112.8E354 R365 V366E354-P361 VanDerWaalsContact OE1-CA 3.26Å; E354-P361 WeakPolarHBondContact OE1-CA 3.23Å; P361-R365 HydrophobicContact CB-CB 4.39Å; P361-R365 HydrophobicContact CB-CG 4.43Å; P361-V366 HydrophobicContact CB-CG2 4.39Å; P361-V366 HydrophobicContact CG-CG2 4.06Å
362C90.2Very high87.3Confident3 Ų354.7 Ų54.72%0.0230%0.302CS..PPolyproline II helixtrans-71.5159.6176.879.90000111.6Q247 I353 E354 I357 L364 R365 V366Q247-C362 VanDerWaalsContact OE1-CB 3.31Å; I353-C362 HydrophobicContact CG2-CB 4.2Å; E354-C362 HydrophobicContact CG-CB 3.82Å; E354-C362 PolarHBondContact OE1-N 3.02Å; I357-C362 HydrophobicContact CD1-CB 3.64Å; C362-L364 VanDerWaalsContact C-N 3.28Å; C362-L364 PolarHBondContact O-N 3.13Å; C362-R365 WeakPolarHBondContact O-CB 3.21Å; C362-R365 PolarHBondContact O-N 3.02Å; C362-V366 PolarHBondContact O-N 3.47Å
363R91.2Very high87.2Confident142 Ų14259 Ų5954%0.53632%0.319SS..Hα-helixtrans-57.4-42.2-175.1-164.4-166.9148.292.83.5112E251 R365 V366 F367E251-R363 VanDerWaalsContact CD-NE 3.26Å; E251-R363 VanDerWaalsContact OE1-CD 3.29Å; E251-R363 WeakPolarHBondContact OE1-CD 3.46Å; E251-R363 WeakPolarHBondContact OE1-CG 3.42Å; E251-R363 IonicContact OE1-NE 2.88Å; E251-R363 PolarHBondContact OE1-NE 2.88Å; E251-R363 IonicContact OE2-CZ 3.23Å; E251-R363 VanDerWaalsContact OE2-CZ 3.23Å; E251-R363 IonicContact OE2-NE 2.69Å; E251-R363 PolarHBondContact OE2-NE 3.13Å; E251-R363 IonicContact OE2-NH2 3.03Å; E251-R363 PolarHBondContact OE2-NH2 2.76Å; R363-R365 VanDerWaalsContact C-N 3.31Å; R363-R365 PolarHBondContact O-N 3.27Å; R363-V366 WeakPolarHBondContact O-CB 3.4Å; R363-V366 PolarHBondContact O-N 2.82Å; R363-V366 VanDerWaalsContact O-N 3.1Å; R363-F367 PolarHBondContact O-N 2.79Å
364L91.9Very high87.3Confident0 Ų065.5 Ų65.50%035%0.348CS..Hα-helixtrans-63.3-35.5179.2-177.259.8000112.4Q247 I250 E251 L254 V346 V350 C362 F367 V368Q247-L364 HydrophobicContact CG-CB 4.24Å; I250-L364 HydrophobicContact CB-CD1 4.38Å; I250-L364 HydrophobicContact CB-CD2 4.28Å; I250-L364 HydrophobicContact CD1-CD2 4.19Å; I250-L364 HydrophobicContact CG2-CD1 3.79Å; I250-L364 HydrophobicContact CG2-CD2 3.83Å; I250-L364 HydrophobicContact CG2-CG 4.49Å; E251-L364 HydrophobicContact CG-CD1 3.84Å; E251-L364 PolarHBondContact OE1-N 3.01Å; L254-L364 HydrophobicContact CD1-CD1 3.92Å; V346-L364 HydrophobicContact CG1-CD1 4.13Å; V346-L364 HydrophobicContact CG1-CD2 3.87Å; V346-L364 HydrophobicContact CG1-CG 3.9Å; V350-L364 HydrophobicContact CG2-CB 3.95Å; V350-L364 HydrophobicContact CG2-CD2 3.74Å; V350-L364 HydrophobicContact CG2-CG 3.66Å; C362-L364 VanDerWaalsContact C-N 3.28Å; C362-L364 PolarHBondContact O-N 3.13Å; L364-F367 HydrophobicContact CD1-CD1 4.42Å; L364-F367 PolarHBondContact O-N 2.97Å; L364-V368 HydrophobicContact CD1-CG2 4.2Å; L364-V368 WeakPolarHBondContact O-CG2 3.19Å; L364-V368 PolarHBondContact O-N 3.35Å
365R91.1Very high87.2Confident57 Ų5766.1 Ų66.122%0.21536%0.355CS..Hα-helixtrans-62.9-48.2172.4-177.2169.2-80163.17.8110.9M347 V350 E354 P361 C362 R363 F367 V368 N369M347-R365 HydrophobicContact CE-CG 4.33Å; V350-R365 HydrophobicContact CG1-CB 3.66Å; V350-R365 HydrophobicContact CG1-CG 4.24Å; E354-R365 WeakPolarHBondContact OE1-CD 3.49Å; E354-R365 IonicContact OE1-CZ 3.63Å; E354-R365 IonicContact OE1-NE 2.69Å; E354-R365 PolarHBondContact OE1-NE 3.42Å; E354-R365 IonicContact OE1-NH1 2.88Å; E354-R365 PolarHBondContact OE1-NH1 3.03Å; E354-R365 IonicContact OE1-NH2 3.75Å; E354-R365 IonicContact OE2-CZ 3.1Å; E354-R365 IonicContact OE2-NE 3.21Å; E354-R365 IonicContact OE2-NH1 3.72Å; E354-R365 PolarHBondContact OE2-NH1 2.99Å; E354-R365 IonicContact OE2-NH2 2.79Å; E354-R365 PolarHBondContact OE2-NH2 2.79Å; P361-R365 HydrophobicContact CB-CB 4.39Å; P361-R365 HydrophobicContact CB-CG 4.43Å; C362-R365 WeakPolarHBondContact O-CB 3.21Å; C362-R365 PolarHBondContact O-N 3.02Å; R363-R365 VanDerWaalsContact C-N 3.31Å; R363-R365 PolarHBondContact O-N 3.27Å; R365-F367 VanDerWaalsContact C-N 3.3Å; R365-F367 PolarHBondContact O-N 3.2Å; R365-V368 PolarHBondContact O-N 2.86Å; R365-N369 WeakPolarHBondContact CG-ND2 3.37Å; R365-N369 WeakPolarHBondContact O-CB 3.17Å; R365-N369 VanDerWaalsContact O-CG 3.3Å; R365-N369 PolarHBondContact O-N 2.69Å
366V91.2Very high87.3Confident83 Ų8362.2 Ų62.250%0.50332%0.322SS..Hα-helixtrans-59.6-44.9179.5178.50000110P361 C362 R363 S370P361-V366 HydrophobicContact CB-CG2 4.39Å; P361-V366 HydrophobicContact CG-CG2 4.06Å; C362-V366 PolarHBondContact O-N 3.47Å; R363-V366 WeakPolarHBondContact O-CB 3.4Å; R363-V366 PolarHBondContact O-N 2.82Å; R363-V366 VanDerWaalsContact O-N 3.1Å; V366-S370 WeakPolarHBondContact O-CB 3.21Å; V366-S370 PolarHBondContact O-N 3.41Å
367F93Very high87.6Confident40 Ų4057.5 Ų57.518%0.17530%0.303CS..Hα-helixtrans-59.4-54.7176.6173.7-98.8000112.6E251 L254 S255 V260 R363 L364 R365 N369 S370 Y371E251-F367 HydrophobicContact CB-CD1 4.49Å; E251-F367 HydrophobicContact CG-CB 3.98Å; E251-F367 HydrophobicContact CG-CD1 3.89Å; E251-F367 HydrophobicContact CG-CD2 4.3Å; E251-F367 HydrophobicContact CG-CE1 4.48Å; E251-F367 HydrophobicContact CG-CG 3.78Å; L254-F367 HydrophobicContact CB-CE1 3.93Å; L254-F367 HydrophobicContact CD1-CE1 4.32Å; S255-F367 VanDerWaalsContact OG-CZ 3.3Å; S255-F367 WeakPolarHBondContact OG-CZ 3.46Å; V260-F367 HydrophobicContact CG2-CZ 4.16Å; R363-F367 PolarHBondContact O-N 2.79Å; L364-F367 HydrophobicContact CD1-CD1 4.42Å; L364-F367 PolarHBondContact O-N 2.97Å; R365-F367 VanDerWaalsContact C-N 3.3Å; R365-F367 PolarHBondContact O-N 3.2Å; F367-N369 PolarHBondContact O-N 3.05Å; F367-S370 PolarHBondContact O-N 3.25Å; F367-Y371 WeakPolarHBondContact O-CB 3.19Å; F367-Y371 PolarHBondContact O-N 2.92Å
368V91.2Very high88.1Confident2 Ų259.3 Ų59.31%0.01232%0.316CS..Hα-helixtrans-64.5-44.1-177.4173.90000111.4L254 F343 V346 M347 L364 R365 Y371 I372L254-V368 HydrophobicContact CD1-CG2 4.11Å; F343-V368 HydrophobicContact CD2-CG1 3.75Å; F343-V368 HydrophobicContact CE2-CG1 3.78Å; V346-V368 HydrophobicContact CG1-CG2 3.77Å; M347-V368 HydrophobicContact SD-CG1 4.28Å; L364-V368 HydrophobicContact CD1-CG2 4.2Å; L364-V368 WeakPolarHBondContact O-CG2 3.19Å; L364-V368 PolarHBondContact O-N 3.35Å; R365-V368 PolarHBondContact O-N 2.86Å; V368-Y371 PolarHBondContact O-N 3.07Å; V368-I372 HydrophobicContact CG1-CD1 3.94Å; V368-I372 WeakPolarHBondContact O-CG1 3.38Å; V368-I372 PolarHBondContact O-N 3.41Å
369N89.2Confident88.9Confident46 Ų4657.5 Ų57.525%0.24630%0.297CS..Hα-helixtrans-64.9-40.9178.3-75-5.3000111.6R365 F367 I372 K373 F452R365-N369 WeakPolarHBondContact CG-ND2 3.37Å; R365-N369 WeakPolarHBondContact O-CB 3.17Å; R365-N369 VanDerWaalsContact O-CG 3.3Å; R365-N369 PolarHBondContact O-N 2.69Å; F367-N369 PolarHBondContact O-N 3.05Å; N369-I372 PolarHBondContact O-N 2.96Å; N369-K373 WeakPolarHBondContact O-CB 3.16Å; N369-K373 PolarHBondContact O-N 3.21Å; N369-F452 HydrophobicContact CB-CE2 4.34Å; N369-F452 HydrophobicContact CB-CZ 3.77Å; N369-F452 WeakPolarHBondContact OD1-CE2 3.08Å
370S90.5Very high89.5Confident37 Ų3751.4 Ų51.426%0.25926%0.264SS..Hα-helixtrans-62.3-45.7174.8-176.90000111.2V366 F367 I372 K373 K374V366-S370 WeakPolarHBondContact O-CB 3.21Å; V366-S370 PolarHBondContact O-N 3.41Å; F367-S370 PolarHBondContact O-N 3.25Å; S370-I372 PolarHBondContact O-N 2.91Å; S370-K373 PolarHBondContact O-N 3.37Å; S370-K374 VanDerWaalsContact O-CB 3.24Å; S370-K374 WeakPolarHBondContact O-CB 3.19Å; S370-K374 WeakPolarHBondContact O-CG 3.31Å; S370-K374 PolarHBondContact O-N 3.44Å
371Y90.8Very high90.1Very high14 Ų1453.8 Ų53.86%0.05526%0.263CS..Hα-helixtrans-59.6-45.1176.5175.6-101.4000112L258 V260 P336 I339 F367 V368 S375 F376L258-Y371 HydrophobicContact CB-CE1 4.23Å; L258-Y371 HydrophobicContact CB-CE2 4.24Å; L258-Y371 HydrophobicContact CD1-CD1 3.94Å; L258-Y371 HydrophobicContact CD1-CE1 3.82Å; L258-Y371 HydrophobicContact CD1-CG 4.43Å; L258-Y371 HydrophobicContact CD2-CE1 4.22Å; L258-Y371 HydrophobicContact CG-CE1 4.32Å; L258-Y371 PolarHBondContact O-OH 3.32Å; V260-Y371 HydrophobicContact CG2-CD2 3.6Å; V260-Y371 HydrophobicContact CG2-CE2 3.61Å; P336-Y371 WeakPolarHBondContact CA-OH 3.48Å; I339-Y371 HydrophobicContact CB-CE1 4.47Å; I339-Y371 HydrophobicContact CD1-CD1 4.4Å; I339-Y371 HydrophobicContact CD1-CE1 4.48Å; I339-Y371 HydrophobicContact CG1-CE1 4.42Å; F367-Y371 WeakPolarHBondContact O-CB 3.19Å; F367-Y371 PolarHBondContact O-N 2.92Å; V368-Y371 PolarHBondContact O-N 3.07Å; Y371-S375 WeakPolarHBondContact O-CA 2.95Å; Y371-S375 WeakPolarHBondContact O-CB 3.28Å; Y371-S375 PolarHBondContact O-N 3.38Å; Y371-F376 HydrophobicContact CD1-CB 4.29Å; Y371-F376 HydrophobicContact CE1-CB 3.87Å; Y371-F376 PolarHBondContact O-N 2.98Å
372I89.9Confident90.5Very high2 Ų256.5 Ų56.51%0.0127%0.269CS..Iπ-helixtrans-62.9-50.5178.8-70169000110.7I339 F343 V368 N369 S370 L377 T449 F452 F456I339-I372 HydrophobicContact CG1-CG1 4.38Å; F343-I372 HydrophobicContact CD2-CD1 3.33Å; F343-I372 HydrophobicContact CE2-CD1 3.15Å; F343-I372 HydrophobicContact CG-CD1 4.43Å; F343-I372 HydrophobicContact CZ-CD1 4.16Å; V368-I372 HydrophobicContact CG1-CD1 3.94Å; V368-I372 WeakPolarHBondContact O-CG1 3.38Å; V368-I372 PolarHBondContact O-N 3.41Å; N369-I372 PolarHBondContact O-N 2.96Å; S370-I372 PolarHBondContact O-N 2.91Å; I372-L377 WeakPolarHBondContact O-CB 3.5Å; I372-L377 PolarHBondContact O-N 3.46Å; I372-T449 HydrophobicContact CD1-CG2 4.29Å; I372-F452 HydrophobicContact CB-CD2 4.27Å; I372-F452 HydrophobicContact CB-CE2 3.92Å; I372-F452 HydrophobicContact CB-CZ 4.12Å; I372-F452 HydrophobicContact CD1-CD2 3.98Å; I372-F452 HydrophobicContact CD1-CE2 3.76Å; I372-F452 HydrophobicContact CG1-CE2 4.46Å; I372-F452 HydrophobicContact CG2-CB 4.48Å; I372-F452 HydrophobicContact CG2-CD1 4.11Å; I372-F452 HydrophobicContact CG2-CD2 3.66Å; I372-F452 HydrophobicContact CG2-CE1 4.23Å; I372-F452 HydrophobicContact CG2-CE2 3.81Å; I372-F452 HydrophobicContact CG2-CG 3.82Å; I372-F452 HydrophobicContact CG2-CZ 4.08Å; I372-F456 HydrophobicContact CG2-CZ 4.47Å
373K88.3Confident90.4Very high144 Ų14461.2 Ų61.263%0.62629%0.294SS*.Iπ-helixtrans-67.8-43.2-175.8-171.5173.7-178.8176.20112.6N369 S370 P378 F452N369-K373 WeakPolarHBondContact O-CB 3.16Å; N369-K373 PolarHBondContact O-N 3.21Å; S370-K373 PolarHBondContact O-N 3.37Å; K373-P378 WeakPolarHBondContact O-CD 3.41Å; K373-P378 WeakPolarHBondContact O-CG 2.94Å; K373-F452 HydrophobicContact CB-CE1 4.37Å
374K89.8Confident90.4Very high137 Ų13755 Ų5560%0.59627%0.272SS*.Iπ-helixtrans-92.3-24.9-171.7-62.8-174.5-179.4-179.60114.5E263 S370E263-K374 IonicContact OE1-NZ 3.67Å; S370-K374 VanDerWaalsContact O-CB 3.24Å; S370-K374 WeakPolarHBondContact O-CB 3.19Å; S370-K374 WeakPolarHBondContact O-CG 3.31Å; S370-K374 PolarHBondContact O-N 3.44Å
375S89.1Confident90.5Very high41 Ų4156.3 Ų56.329%0.28728%0.279SS..Iπ-helixtrans-123.9-60-172.9-170.10000112.6Y371 N379Y371-S375 WeakPolarHBondContact O-CA 2.95Å; Y371-S375 WeakPolarHBondContact O-CB 3.28Å; Y371-S375 PolarHBondContact O-N 3.38Å; S375-N379 WeakPolarHBondContact O-CB 3.27Å; S375-N379 PolarHBondContact O-N 3.25Å; S375-N379 PolarHBondContact O-ND2 3.25Å; S375-N379 VanDerWaalsContact O-ND2 3.09Å
376F89.3Confident90.7Very high5 Ų558.8 Ų58.82%0.02229%0.294CS..Iπ-helixtrans-66.2-51.8-171.9-179.2-105.9000113.1P336 I339 Y371 N379 L380 I445 F456P336-F376 HydrophobicContact CB-CD2 3.79Å; P336-F376 HydrophobicContact CB-CE2 4.13Å; P336-F376 WeakPolarHBondContact O-CE2 3.49Å; I339-F376 HydrophobicContact CG2-CD1 4.09Å; I339-F376 HydrophobicContact CG2-CD2 3.67Å; I339-F376 HydrophobicContact CG2-CE1 3.82Å; I339-F376 HydrophobicContact CG2-CE2 3.39Å; I339-F376 HydrophobicContact CG2-CG 4.01Å; I339-F376 HydrophobicContact CG2-CZ 3.47Å; I339-F376 VanDerWaalsContact CG2-CZ 3.47Å; Y371-F376 HydrophobicContact CD1-CB 4.29Å; Y371-F376 HydrophobicContact CE1-CB 3.87Å; Y371-F376 PolarHBondContact O-N 2.98Å; F376-N379 PolarHBondContact O-N 2.76Å; F376-L380 HydrophobicContact CE1-CD2 4.18Å; F376-L380 HydrophobicContact CZ-CD2 4.37Å; F376-L380 VanDerWaalsContact O-CB 3.26Å; F376-L380 WeakPolarHBondContact O-CB 3.48Å; F376-L380 PolarHBondContact O-N 3.17Å; F376-I445 HydrophobicContact CE1-CG2 4.09Å; F376-I445 HydrophobicContact CZ-CD1 4.27Å; F376-F456 HydrophobicContact CD1-CE1 4.49Å; F376-F456 HydrophobicContact CD1-CZ 4.15Å; F376-F456 HydrophobicContact CE1-CE1 4.11Å; F376-F456 AromaticContact CE1-CZ 3.98Å; F376-F456 HydrophobicContact CE1-CZ 3.98Å
377L90.1Very high90.8Very high27 Ų2759.3 Ų59.314%0.14129%0.289CS..Hα-helixtrans-64.4-46.5-177.2177.880.7000112I372 N379 L380 R381 E455 F456I372-L377 WeakPolarHBondContact O-CB 3.5Å; I372-L377 PolarHBondContact O-N 3.46Å; L377-N379 PolarHBondContact O-N 3.45Å; L377-L380 PolarHBondContact O-N 2.87Å; L377-R381 VanDerWaalsContact O-CB 3.27Å; L377-R381 WeakPolarHBondContact O-CB 3.4Å; L377-R381 PolarHBondContact O-N 3.33Å; L377-E455 HydrophobicContact CD1-CB 4.3Å; L377-E455 HydrophobicContact CD2-CB 3.71Å; L377-E455 HydrophobicContact CD2-CG 4.23Å; L377-F456 HydrophobicContact CD1-CD1 3.7Å; L377-F456 HydrophobicContact CD1-CE1 3.48Å; L377-F456 VanDerWaalsContact CD1-CE1 3.48Å; L377-F456 HydrophobicContact CD1-CG 4.31Å; L377-F456 HydrophobicContact CD1-CZ 3.94Å
378P90.5Very high90.9Very high56 Ų5657.4 Ų57.436%0.36428%0.281SS..Hα-helixtrans-59.4-45.6175.7-26.936.7000113.3K373 R381 E382K373-P378 WeakPolarHBondContact O-CD 3.41Å; K373-P378 WeakPolarHBondContact O-CG 2.94Å; P378-R381 PolarHBondContact O-N 3.1Å; P378-E382 PolarHBondContact O-N 3.36Å
379N89.7Confident91.2Very high73 Ų7362 Ų6239%0.3930%0.298SS..Hα-helixtrans-65.2-45.2179.3-67.4-16.6000111.3S375 F376 L377 R381 E382 D383S375-N379 WeakPolarHBondContact O-CB 3.27Å; S375-N379 PolarHBondContact O-N 3.25Å; S375-N379 PolarHBondContact O-ND2 3.25Å; S375-N379 VanDerWaalsContact O-ND2 3.09Å; F376-N379 PolarHBondContact O-N 2.76Å; L377-N379 PolarHBondContact O-N 3.45Å; N379-R381 VanDerWaalsContact C-N 3.29Å; N379-R381 PolarHBondContact O-N 3.27Å; N379-E382 PolarHBondContact O-N 2.91Å; N379-D383 WeakPolarHBondContact O-CB 3.46Å; N379-D383 VanDerWaalsContact O-CG 3.29Å; N379-D383 PolarHBondContact O-N 3.22Å
380L89.6Confident91.5Very high11 Ų1162.1 Ų62.16%0.05830%0.302CS..Hα-helixtrans-60.7-41.8176.1-179.273000111.3F376 L377 D383 V384 I445 F456 L459F376-L380 HydrophobicContact CE1-CD2 4.18Å; F376-L380 HydrophobicContact CZ-CD2 4.37Å; F376-L380 VanDerWaalsContact O-CB 3.26Å; F376-L380 WeakPolarHBondContact O-CB 3.48Å; F376-L380 PolarHBondContact O-N 3.17Å; L377-L380 PolarHBondContact O-N 2.87Å; L380-D383 PolarHBondContact O-N 2.93Å; L380-V384 HydrophobicContact CD1-CG2 3.75Å; L380-V384 HydrophobicContact CG-CG2 4.12Å; L380-V384 WeakPolarHBondContact O-CB 3.35Å; L380-V384 VanDerWaalsContact O-CG2 3.32Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.34Å; L380-I445 HydrophobicContact CD1-CD1 4.08Å; L380-I445 HydrophobicContact CD2-CD1 3.53Å; L380-I445 HydrophobicContact CG-CD1 4.47Å; L380-F456 HydrophobicContact CD2-CD1 4.12Å; L380-F456 HydrophobicContact CD2-CE1 3.67Å; L380-L459 HydrophobicContact CD2-CD2 4.07Å; L380-L459 HydrophobicContact CG-CD2 4.22Å
381R92.5Very high91.7Very high130 Ų13061 Ų6149%0.49129%0.293SS..Hα-helixtrans-60.8-48.1176.2173.1171.8-178.8-117.3-0.2110.5L377 P378 N379 V385 L459L377-R381 VanDerWaalsContact O-CB 3.27Å; L377-R381 WeakPolarHBondContact O-CB 3.4Å; L377-R381 PolarHBondContact O-N 3.33Å; P378-R381 PolarHBondContact O-N 3.1Å; N379-R381 VanDerWaalsContact C-N 3.29Å; N379-R381 PolarHBondContact O-N 3.27Å; R381-V385 HydrophobicContact CG-CG2 4.01Å; R381-V385 WeakPolarHBondContact O-CB 3.23Å; R381-V385 WeakPolarHBondContact O-CG2 3.49Å; R381-V385 PolarHBondContact O-N 2.82Å; R381-L459 HydrophobicContact CB-CD1 4.07Å; R381-L459 HydrophobicContact CG-CD1 3.92Å
382E91.3Very high92Very high136 Ų13660.5 Ų60.564%0.63629%0.291SS*.Hα-helixtrans-58.6-50.4176.9-171172.3-175.700110.9P378 N379 Q386P378-E382 PolarHBondContact O-N 3.36Å; N379-E382 PolarHBondContact O-N 2.91Å; E382-Q386 WeakPolarHBondContact O-CA 3.27Å; E382-Q386 WeakPolarHBondContact O-CB 3.31Å; E382-Q386 PolarHBondContact O-N 2.76Å
383D89Confident92.2Very high103 Ų10362.8 Ų62.855%0.55130%0.303SS*.Hα-helixtrans-60.3-52.5-179-71.1-22.1000112.5N379 L380 K387N379-D383 WeakPolarHBondContact O-CB 3.46Å; N379-D383 VanDerWaalsContact O-CG 3.29Å; N379-D383 PolarHBondContact O-N 3.22Å; L380-D383 PolarHBondContact O-N 2.93Å; D383-K387 WeakPolarHBondContact O-CB 3.33Å; D383-K387 PolarHBondContact O-N 3.42Å
384V91Very high92.4Very high11 Ų1160.6 Ų60.67%0.06730%0.298CS..Hα-helixtrans-73.7-42.6-174178.30000111.3L380 K387 A388 C438 V442 I463L380-V384 HydrophobicContact CD1-CG2 3.75Å; L380-V384 HydrophobicContact CG-CG2 4.12Å; L380-V384 WeakPolarHBondContact O-CB 3.35Å; L380-V384 VanDerWaalsContact O-CG2 3.32Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.34Å; V384-K387 PolarHBondContact O-N 2.84Å; V384-A388 VanDerWaalsContact O-CB 3.26Å; V384-A388 WeakPolarHBondContact O-CB 3.47Å; V384-A388 PolarHBondContact O-N 3.09Å; V384-C438 HydrophobicContact CG1-CB 4.08Å; V384-V442 HydrophobicContact CG1-CG2 4.09Å; V384-I463 HydrophobicContact CG1-CD1 3.57Å; V384-I463 HydrophobicContact CG1-CG1 4.24Å
385V94.4Very high92.3Very high27 Ų2758.9 Ų58.916%0.16429%0.288CS..Hα-helixtrans-69.2-41.1178.9176.70000110.5R381 A388 R389 L459 L466R381-V385 HydrophobicContact CG-CG2 4.01Å; R381-V385 WeakPolarHBondContact O-CB 3.23Å; R381-V385 WeakPolarHBondContact O-CG2 3.49Å; R381-V385 PolarHBondContact O-N 2.82Å; V385-A388 PolarHBondContact O-N 3.31Å; V385-R389 VanDerWaalsContact O-CB 3.25Å; V385-R389 WeakPolarHBondContact O-CB 3.34Å; V385-R389 PolarHBondContact O-N 3.25Å; V385-L459 HydrophobicContact CG2-CD1 3.48Å; V385-L459 VanDerWaalsContact CG2-CD1 3.48Å; V385-L466 HydrophobicContact CG1-CD1 4.04Å
386Q94.7Very high92.1Very high110 Ų11062.3 Ų62.351%0.51431%0.312SS..Hα-helixtrans-66.5-42.4176.4-172.662.317.500111E382 R389 S390E382-Q386 WeakPolarHBondContact O-CA 3.27Å; E382-Q386 WeakPolarHBondContact O-CB 3.31Å; E382-Q386 PolarHBondContact O-N 2.76Å; Q386-R389 PolarHBondContact O-N 3.05Å; Q386-S390 VanDerWaalsContact O-CB 3.31Å; Q386-S390 WeakPolarHBondContact O-CB 3.25Å; Q386-S390 PolarHBondContact O-N 2.88Å
387K92.9Very high92Very high93 Ų9363.9 Ų63.940%0.40432%0.321SS..Hα-helixtrans-56.5-52.5172-178.4-176.6170.6-165.80110D383 V384 S390 F391 D437D383-K387 WeakPolarHBondContact O-CB 3.33Å; D383-K387 PolarHBondContact O-N 3.42Å; V384-K387 PolarHBondContact O-N 2.84Å; K387-S390 PolarHBondContact O-N 3.43Å; K387-S390 PolarHBondContact O-OG 2.99Å; K387-F391 HydrophobicContact CG-CD1 4.47Å; K387-F391 HydrophobicContact CG-CE1 4.42Å; K387-F391 WeakPolarHBondContact O-CD1 3.45Å; K387-F391 PolarHBondContact O-N 2.99Å; K387-D437 IonicContact NZ-OD2 3.39Å; K387-D437 PolarHBondContact NZ-OD2 3.47Å
388A95.3Very high92Very high0 Ų063.1 Ų63.10%032%0.317CS..Hα-helixtrans-57.9-50.5179.300000112.6V384 V385 S390 F391 L392 L466V384-A388 VanDerWaalsContact O-CB 3.26Å; V384-A388 WeakPolarHBondContact O-CB 3.47Å; V384-A388 PolarHBondContact O-N 3.09Å; V385-A388 PolarHBondContact O-N 3.31Å; A388-S390 VanDerWaalsContact C-N 3.31Å; A388-S390 PolarHBondContact O-N 3.3Å; A388-F391 VanDerWaalsContact CA-CE1 3.44Å; A388-F391 HydrophobicContact CB-CE1 4.35Å; A388-F391 PolarHBondContact O-N 3.01Å; A388-L392 HydrophobicContact CB-CD1 4.49Å; A388-L392 VanDerWaalsContact O-CB 3.26Å; A388-L392 WeakPolarHBondContact O-CB 3.45Å; A388-L392 WeakPolarHBondContact O-CG 3.16Å; A388-L392 PolarHBondContact O-N 2.99Å; A388-L466 HydrophobicContact CB-CD1 4.04Å
389R96.7Very high92.2Very high99 Ų9960.7 Ų60.737%0.37430%0.301SS..Hα-helixtrans-58.1-43.4177.2175.6177.3-86.3-88.21.7111.7V385 Q386 F391 L392 L393 D394 L466V385-R389 VanDerWaalsContact O-CB 3.25Å; V385-R389 WeakPolarHBondContact O-CB 3.34Å; V385-R389 PolarHBondContact O-N 3.25Å; Q386-R389 PolarHBondContact O-N 3.05Å; R389-F391 VanDerWaalsContact C-N 3.31Å; R389-F391 PolarHBondContact O-N 3.26Å; R389-L392 PolarHBondContact O-N 3.38Å; R389-L393 HydrophobicContact CB-CD1 4.44Å; R389-L393 HydrophobicContact CG-CB 4.46Å; R389-L393 HydrophobicContact CG-CD1 4.32Å; R389-L393 PolarHBondContact O-N 3.21Å; R389-D394 PolarHBondContact O-N 2.78Å; R389-L466 HydrophobicContact CB-CD1 4.43Å
390S95.1Very high92.3Very high49 Ų4960 Ų6034%0.34330%0.297SS..Hα-helixtrans-59.7-39.5-177.876.50000112.8Q386 K387 A388 D394 R395Q386-S390 VanDerWaalsContact O-CB 3.31Å; Q386-S390 WeakPolarHBondContact O-CB 3.25Å; Q386-S390 PolarHBondContact O-N 2.88Å; K387-S390 PolarHBondContact O-N 3.43Å; K387-S390 PolarHBondContact O-OG 2.99Å; A388-S390 VanDerWaalsContact C-N 3.31Å; A388-S390 PolarHBondContact O-N 3.3Å; S390-D394 WeakPolarHBondContact CA-OD2 3.31Å; S390-R395 WeakPolarHBondContact O-CG 3.47Å; S390-R395 PolarHBondContact O-N 3.43Å
391F94.9Very high92.4Very high14 Ų1464.4 Ų64.46%0.06131%0.313CS..Hα-helixtrans-95.7-17.2-17975.8-104.5000114.7K387 A388 R389 T398 S431 K434 A435K387-F391 HydrophobicContact CG-CD1 4.47Å; K387-F391 HydrophobicContact CG-CE1 4.42Å; K387-F391 WeakPolarHBondContact O-CD1 3.45Å; K387-F391 PolarHBondContact O-N 2.99Å; A388-F391 VanDerWaalsContact CA-CE1 3.44Å; A388-F391 HydrophobicContact CB-CE1 4.35Å; A388-F391 PolarHBondContact O-N 3.01Å; R389-F391 VanDerWaalsContact C-N 3.31Å; R389-F391 PolarHBondContact O-N 3.26Å; F391-T398 VanDerWaalsContact O-CG2 3.31Å; F391-T398 WeakPolarHBondContact O-CG2 3.45Å; F391-T398 PolarHBondContact O-OG1 3.26Å; F391-S431 WeakPolarHBondContact CE2-O 3.25Å; F391-K434 HydrophobicContact CD1-CB 4.41Å; F391-K434 HydrophobicContact CD2-CB 3.96Å; F391-K434 HydrophobicContact CD2-CD 4.29Å; F391-K434 HydrophobicContact CE1-CB 4Å; F391-K434 HydrophobicContact CE2-CB 3.51Å; F391-K434 HydrophobicContact CG-CB 4.42Å; F391-K434 HydrophobicContact CG-CD 4.26Å; F391-K434 VanDerWaalsContact CZ-C 3.48Å; F391-K434 HydrophobicContact CZ-CB 3.57Å; F391-A435 HydrophobicContact CE2-CB 4.3Å; F391-A435 HydrophobicContact CZ-CB 4.34Å
392L97.1Very high92.5Very high3 Ų359 Ų592%0.01629%0.294CS..Hα-helixtrans-94.7-35178.9-71.9173.3000113.3A388 R389 T398 A435 L466 Y467 S470A388-L392 HydrophobicContact CB-CD1 4.49Å; A388-L392 VanDerWaalsContact O-CB 3.26Å; A388-L392 WeakPolarHBondContact O-CB 3.45Å; A388-L392 WeakPolarHBondContact O-CG 3.16Å; A388-L392 PolarHBondContact O-N 2.99Å; R389-L392 PolarHBondContact O-N 3.38Å; L392-T398 HydrophobicContact CD2-CG2 4.43Å; L392-A435 HydrophobicContact CD1-CB 4.48Å; L392-L466 HydrophobicContact CD1-CB 4.11Å; L392-Y467 HydrophobicContact CD2-CD2 3.99Å; L392-S470 VanDerWaalsContact O-CB 3.31Å; L392-S470 WeakPolarHBondContact O-CB 3.45Å; L392-S470 PolarHBondContact O-OG 2.89Å
393L94.3Very high92.5Very high49 Ų4952.9 Ų52.926%0.25727%0.266SS..THydrogen-bonded Turntrans-118.5-39.5-172.2-65.595.5000113.1R389 L466 Q469R389-L393 HydrophobicContact CB-CD1 4.44Å; R389-L393 HydrophobicContact CG-CB 4.46Å; R389-L393 HydrophobicContact CG-CD1 4.32Å; R389-L393 PolarHBondContact O-N 3.21Å; L393-L466 HydrophobicContact CD1-CB 4.22Å; L393-L466 HydrophobicContact CD1-CD2 3.82Å; L393-L466 HydrophobicContact CD1-CG 4.5Å; L393-Q469 HydrophobicContact CD2-CG 4.13Å
394D92.1Very high92.4Very high98 Ų9852 Ų5252%0.52427%0.268SS..SBendtrans-82.2-20.7-171.6-55.9-22.9000112.6R389 S390R389-D394 PolarHBondContact O-N 2.78Å; S390-D394 WeakPolarHBondContact CA-OD2 3.31Å
395R89.8Confident92Very high101 Ų10156.5 Ų56.538%0.38130%0.3SS..  trans-87.9135.2178-77.1177.678.5119.514.3112S390 D397 T398 R401S390-R395 WeakPolarHBondContact O-CG 3.47Å; S390-R395 PolarHBondContact O-N 3.43Å; R395-D397 VanDerWaalsContact C-N 3.34Å; R395-D397 IonicContact CZ-OD1 3.18Å; R395-D397 VanDerWaalsContact CZ-OD1 3.31Å; R395-D397 IonicContact CZ-OD2 2.74Å; R395-D397 IonicContact NE-OD1 3.03Å; R395-D397 PolarHBondContact NE-OD1 3.41Å; R395-D397 IonicContact NE-OD2 3.3Å; R395-D397 VanDerWaalsContact NH2-CG 3.34Å; R395-D397 IonicContact NH2-OD1 3.32Å; R395-D397 PolarHBondContact NH2-OD1 2.94Å; R395-D397 IonicContact NH2-OD2 3.35Å; R395-D397 PolarHBondContact NH2-OD2 3.35Å; R395-T398 PolarHBondContact O-OG1 2.96Å; R395-R401 VanDerWaalsContact CZ-NH2 3.29Å
396S84.6Confident91.5Very high114 Ų11458.2 Ų58.280%0.79731%0.308SS*.THydrogen-bonded Turntrans-79.8-12.6172.958.20000114.1N400S396-N400 PolarHBondContact O-ND2 3.2Å
397D87.4Confident91Very high38 Ų3856.6 Ų56.620%0.20331%0.305CS..THydrogen-bonded Turntrans-103.613.4-178.873.4-37.6000114.2R395 W399 N400 R401R395-D397 VanDerWaalsContact C-N 3.34Å; R395-D397 IonicContact CZ-OD1 3.18Å; R395-D397 VanDerWaalsContact CZ-OD1 3.31Å; R395-D397 IonicContact CZ-OD2 2.74Å; R395-D397 IonicContact NE-OD1 3.03Å; R395-D397 PolarHBondContact NE-OD1 3.41Å; R395-D397 IonicContact NE-OD2 3.3Å; R395-D397 VanDerWaalsContact NH2-CG 3.34Å; R395-D397 IonicContact NH2-OD1 3.32Å; R395-D397 PolarHBondContact NH2-OD1 2.94Å; R395-D397 IonicContact NH2-OD2 3.35Å; R395-D397 PolarHBondContact NH2-OD2 3.35Å; D397-W399 VanDerWaalsContact C-N 3.28Å; D397-W399 PolarHBondContact O-N 3.06Å; D397-N400 HydrophobicContact CB-CB 4.35Å; D397-N400 PolarHBondContact O-N 3.03Å; D397-R401 IonicContact OD2-CZ 3.31Å; D397-R401 IonicContact OD2-NE 2.92Å; D397-R401 PolarHBondContact OD2-NE 3.36Å; D397-R401 IonicContact OD2-NH1 3.64Å; D397-R401 IonicContact OD2-NH2 3.63Å; D397-R401 PolarHBondContact OD2-NH2 2.6Å
398T89.5Confident90.4Very high11 Ų1156.6 Ų56.67%0.06731%0.313CS..THydrogen-bonded Turntrans-53-43.6-174.3-600000112.7F391 L392 R395 S431F391-T398 VanDerWaalsContact O-CG2 3.31Å; F391-T398 WeakPolarHBondContact O-CG2 3.45Å; F391-T398 PolarHBondContact O-OG1 3.26Å; L392-T398 HydrophobicContact CD2-CG2 4.43Å; R395-T398 PolarHBondContact O-OG1 2.96Å; T398-S431 WeakPolarHBondContact O-CB 3.28Å; T398-S431 PolarHBondContact O-OG 2.97Å
399W94.1Very high89.8Confident4 Ų464.6 Ų64.62%0.01535%0.35CS..THydrogen-bonded Turntrans-113.334.6-174.2-62.299.6000111.9D397 F429 Y467 S470 A471 E474 F620 V624D397-W399 VanDerWaalsContact C-N 3.28Å; D397-W399 PolarHBondContact O-N 3.06Å; W399-F429 HydrophobicContact CB-CE1 4.39Å; W399-F429 HydrophobicContact CB-CZ 4.42Å; W399-F429 HydrophobicContact CE3-CB 4.23Å; W399-F429 HydrophobicContact CE3-CD1 4.44Å; W399-F429 AromaticContact CE3-CD2 3.53Å; W399-F429 HydrophobicContact CE3-CD2 3.53Å; W399-F429 AromaticContact CE3-CE2 3.9Å; W399-F429 HydrophobicContact CE3-CE2 3.9Å; W399-F429 AromaticContact CE3-CG 3.81Å; W399-F429 HydrophobicContact CE3-CG 3.81Å; W399-F429 HydrophobicContact CZ3-CB 4.36Å; W399-F429 AromaticContact CZ3-CD2 3.89Å; W399-F429 HydrophobicContact CZ3-CD2 3.89Å; W399-F429 HydrophobicContact CZ3-CG 4.3Å; W399-F429 WeakPolarHBondContact O-CE1 3.49Å; W399-F429 WeakPolarHBondContact O-CZ 3.41Å; W399-Y467 AromaticContact CH2-CE2 3.74Å; W399-Y467 HydrophobicContact CH2-CE2 3.74Å; W399-Y467 AromaticContact CH2-CZ 3.7Å; W399-Y467 HydrophobicContact CZ2-CE2 4.22Å; W399-S470 PolarHBondContact NE1-OG 3.23Å; W399-A471 HydrophobicContact CH2-CB 3.88Å; W399-A471 HydrophobicContact CZ2-CB 3.75Å; W399-E474 HydrophobicContact CB-CB 4.27Å; W399-E474 HydrophobicContact CB-CG 3.4Å; W399-E474 VanDerWaalsContact CB-CG 3.4Å; W399-E474 VanDerWaalsContact CD1-CB 3.44Å; W399-E474 HydrophobicContact CD2-CB 4.06Å; W399-E474 HydrophobicContact CD2-CG 3.95Å; W399-E474 HydrophobicContact CG-CB 3.7Å; W399-E474 HydrophobicContact CG-CG 3.37Å; W399-F620 HydrophobicContact CD2-CD2 4.35Å; W399-F620 AromaticContact CE3-CD2 3.7Å; W399-F620 HydrophobicContact CE3-CD2 3.7Å; W399-F620 HydrophobicContact CE3-CE2 4.15Å; W399-F620 HydrophobicContact CH2-CD2 4.31Å; W399-F620 HydrophobicContact CH2-CE2 4.07Å; W399-F620 HydrophobicContact CZ2-CE2 4.46Å; W399-F620 AromaticContact CZ3-CD2 3.67Å; W399-F620 HydrophobicContact CZ3-CD2 3.67Å; W399-F620 AromaticContact CZ3-CE2 3.9Å; W399-F620 HydrophobicContact CZ3-CE2 3.9Å; W399-V624 HydrophobicContact CH2-CG2 4.14Å; W399-V624 HydrophobicContact CZ3-CG2 4.2Å
400N91.3Very high89.1Confident58 Ų5864.8 Ų64.831%0.3136%0.355SS..THydrogen-bonded Turntrans-118.9-23.6-173.8-52.520.3000111.5S396 D397S396-N400 PolarHBondContact O-ND2 3.2Å; D397-N400 HydrophobicContact CB-CB 4.35Å; D397-N400 PolarHBondContact O-N 3.03Å
401R93Very high88.5Confident105 Ų10562.8 Ų62.840%0.39634%0.341SS..  trans-110.5122.7-176.3-64.5-172.8-63.6-163.2-6.1111.5R395 D397 F429 I430R395-R401 VanDerWaalsContact CZ-NH2 3.29Å; D397-R401 IonicContact OD2-CZ 3.31Å; D397-R401 IonicContact OD2-NE 2.92Å; D397-R401 PolarHBondContact OD2-NE 3.36Å; D397-R401 IonicContact OD2-NH1 3.64Å; D397-R401 IonicContact OD2-NH2 3.63Å; D397-R401 PolarHBondContact OD2-NH2 2.6Å; R401-F429 WeakPolarHBondContact O-CD1 3.18Å; R401-I430 HydrophobicContact CB-CD1 3.8Å; R401-I430 HydrophobicContact CB-CG1 4.36Å; R401-I430 PolarHBondContact O-N 3.44Å
402T93.5Very high87.9Confident17 Ų1763.2 Ų63.210%0.10435%0.347CS..BIsolated β-bridgetrans-111.3167.9177.760.10000110.3S404 L428 F429 N619T402-S404 PolarHBondContact O-N 3.33Å; T402-S404 VanDerWaalsContact O-N 3.16Å; T402-S404 PolarHBondContact OG1-OG 2.94Å; T402-S404 VanDerWaalsContact OG1-OG 3.13Å; T402-L428 CarbonylContact C-O 3.56Å; T402-L428 WeakPolarHBondContact CA-O 3.5Å; T402-F429 HydrophobicContact CG2-CD1 3.72Å; T402-F429 HydrophobicContact CG2-CE1 3.6Å; T402-F429 HydrophobicContact CG2-CG 4.34Å; T402-F429 HydrophobicContact CG2-CZ 4.2Å; T402-N619 HydrophobicContact CG2-CB 3.92Å
403T90.9Very high87.1Confident7 Ų765.7 Ų65.74%0.04337%0.368CS..G310 helixtrans-73.310.9172.952.50000113.5S405 I406 Q411 P427 L428 L433T403-S405 PolarHBondContact O-N 3.15Å; T403-I406 HydrophobicContact CG2-CD1 4.2Å; T403-I406 WeakPolarHBondContact O-CG1 3.31Å; T403-I406 PolarHBondContact O-N 2.99Å; T403-Q411 PolarHBondContact OG1-OE1 3.07Å; T403-P427 VanDerWaalsContact OG1-CA 3.31Å; T403-P427 WeakPolarHBondContact OG1-CA 3.5Å; T403-L428 PolarHBondContact N-O 3.15Å; T403-L428 PolarHBondContact OG1-N 3.27Å; T403-L428 PolarHBondContact OG1-O 3.31Å; T403-L433 HydrophobicContact CG2-CD1 3.58Å
404S87.5Confident86.2Confident85 Ų8566.7 Ų66.759%0.59438%0.376SS*.G310 helixtrans-65.3-10.9179.968.30000113.8T402 I406T402-S404 PolarHBondContact O-N 3.33Å; T402-S404 VanDerWaalsContact O-N 3.16Å; T402-S404 PolarHBondContact OG1-OG 2.94Å; T402-S404 VanDerWaalsContact OG1-OG 3.13Å; S404-I406 VanDerWaalsContact C-N 3.34Å
405S83Confident85.6Confident105 Ų10562.1 Ų62.173%0.73435%0.351SS*.G310 helixtrans-81-12.4174.4610000113.9T403T403-S405 PolarHBondContact O-N 3.15Å
406I83.6Confident84.8Confident63 Ų6360.8 Ų60.832%0.32336%0.355SS..SBendtrans-113.6156.4178.560.2168.9000109.9T403 S404 E410 Q411T403-I406 HydrophobicContact CG2-CD1 4.2Å; T403-I406 WeakPolarHBondContact O-CG1 3.31Å; T403-I406 PolarHBondContact O-N 2.99Å; S404-I406 VanDerWaalsContact C-N 3.34Å; I406-E410 HydrophobicContact CB-CB 4.16Å; I406-E410 WeakPolarHBondContact CB-OE2 3.33Å; I406-Q411 HydrophobicContact CD1-CB 3.81Å; I406-Q411 HydrophobicContact CG1-CB 4.35Å
407T84.1Confident83.5Confident76 Ų7659.9 Ų59.947%0.46635%0.354SS..  trans-70.7158.9176.162.90000111.1E409 E410 Q411T407-E409 PolarHBondContact O-N 3.48Å; T407-E410 PolarHBondContact N-OE2 2.91Å; T407-E410 PolarHBondContact O-N 3.47Å; T407-E410 WeakPolarHBondContact OG1-CB 3.44Å; T407-E410 VanDerWaalsContact OG1-CD 3.29Å; T407-E410 WeakPolarHBondContact OG1-CG 3.36Å; T407-E410 PolarHBondContact OG1-N 3.17Å; T407-E410 PolarHBondContact OG1-OE2 3.34Å; T407-E410 VanDerWaalsContact OG1-OE2 3.07Å; T407-Q411 PolarHBondContact O-N 3.2Å
408V81.1Confident82.1Confident93 Ų9364.3 Ų64.356%0.56437%0.373SS*.Hα-helixtrans-60.4-36.1176.8179.30000111.1Q411 A412V408-Q411 PolarHBondContact O-N 2.91Å; V408-A412 WeakPolarHBondContact O-CB 3.49Å; V408-A412 PolarHBondContact O-N 2.95Å
409E82.6Confident80.7Confident168 Ų16864.1 Ų64.179%0.78537%0.372SS*.Hα-helixtrans-66.7-42.7176.1-64.7177.7-174.700112.1T407 A412 A413T407-E409 PolarHBondContact O-N 3.48Å; E409-A412 PolarHBondContact O-N 3.46Å; E409-A413 WeakPolarHBondContact O-CB 3.3Å; E409-A413 PolarHBondContact O-N 3.37Å
410E82.2Confident79.5Confident102 Ų10270.7 Ų70.748%0.47741%0.407SS..Hα-helixtrans-64.6-40.1173.9-74.7166.9156.500111.7I406 T407 A413 V414I406-E410 HydrophobicContact CB-CB 4.16Å; I406-E410 WeakPolarHBondContact CB-OE2 3.33Å; T407-E410 PolarHBondContact N-OE2 2.91Å; T407-E410 PolarHBondContact O-N 3.47Å; T407-E410 WeakPolarHBondContact OG1-CB 3.44Å; T407-E410 VanDerWaalsContact OG1-CD 3.29Å; T407-E410 WeakPolarHBondContact OG1-CG 3.36Å; T407-E410 PolarHBondContact OG1-N 3.17Å; T407-E410 PolarHBondContact OG1-OE2 3.34Å; T407-E410 VanDerWaalsContact OG1-OE2 3.07Å; E410-A413 PolarHBondContact O-N 2.92Å; E410-V414 WeakPolarHBondContact O-CG2 3.49Å; E410-V414 PolarHBondContact O-N 2.99Å
411Q83Confident78.9Confident7 Ų768.5 Ų68.53%0.03340%0.395CS..Hα-helixtrans-61.7-47.2174.5179.9174.8-49.100111T403 I406 T407 V408 A413 V414 L415 S424 V426T403-Q411 PolarHBondContact OG1-OE1 3.07Å; I406-Q411 HydrophobicContact CD1-CB 3.81Å; I406-Q411 HydrophobicContact CG1-CB 4.35Å; T407-Q411 PolarHBondContact O-N 3.2Å; V408-Q411 PolarHBondContact O-N 2.91Å; Q411-A413 VanDerWaalsContact C-N 3.3Å; Q411-A413 PolarHBondContact O-N 3.5Å; Q411-V414 PolarHBondContact O-N 3.44Å; Q411-L415 HydrophobicContact CG-CD1 3.91Å; Q411-L415 HydrophobicContact CG-CG 4.35Å; Q411-L415 WeakPolarHBondContact O-CB 3.4Å; Q411-L415 VanDerWaalsContact O-CG 3.25Å; Q411-L415 WeakPolarHBondContact O-CG 3.38Å; Q411-L415 PolarHBondContact O-N 3.24Å; Q411-S424 PolarHBondContact NE2-O 3.01Å; Q411-V426 PolarHBondContact NE2-O 3.45Å
412A82.2Confident78.4Confident23 Ų2366 Ų6619%0.1939%0.392CS..Hα-helixtrans-59.1-41.5176.100000111.7V408 E409 L415 T416 D423V408-A412 WeakPolarHBondContact O-CB 3.49Å; V408-A412 PolarHBondContact O-N 2.95Å; E409-A412 PolarHBondContact O-N 3.46Å; A412-L415 PolarHBondContact O-N 3.1Å; A412-T416 VanDerWaalsContact O-CB 3.27Å; A412-T416 WeakPolarHBondContact O-CB 3.48Å; A412-T416 PolarHBondContact O-N 3.29Å; A412-T416 PolarHBondContact O-OG1 2.84Å; A412-D423 WeakPolarHBondContact CA-OD1 3.29Å; A412-D423 VanDerWaalsContact CB-OD1 3.23Å; A412-D423 WeakPolarHBondContact CB-OD1 3.48Å
413A79.3Confident77.8Confident55 Ų5569.6 Ų69.646%0.45541%0.411SS..Hα-helixtrans-63.3-43.7175.500000112.2E409 E410 Q411 A417E409-A413 WeakPolarHBondContact O-CB 3.3Å; E409-A413 PolarHBondContact O-N 3.37Å; E410-A413 PolarHBondContact O-N 2.92Å; Q411-A413 VanDerWaalsContact C-N 3.3Å; Q411-A413 PolarHBondContact O-N 3.5Å; A413-A417 WeakPolarHBondContact O-CA 3.47Å; A413-A417 WeakPolarHBondContact O-CB 3.45Å; A413-A417 PolarHBondContact O-N 3.32Å
414V74.8Confident77.7Confident71 Ų7169.6 Ų69.643%0.4341%0.411SS..Iπ-helixtrans-63.2-43.8175.7171.50000111.1E410 Q411 H418E410-V414 WeakPolarHBondContact O-CG2 3.49Å; E410-V414 PolarHBondContact O-N 2.99Å; Q411-V414 PolarHBondContact O-N 3.44Å; V414-H418 WeakPolarHBondContact O-CB 3.28Å; V414-H418 PolarHBondContact O-N 3.31Å
415L79.8Confident77.6Confident1 Ų169.8 Ų69.81%0.00541%0.41CS..Iπ-helixtrans-67.2-46.8-179.5-69.2175000112.2Q411 A412 L419 D420 L421 L433 Y626Q411-L415 HydrophobicContact CG-CD1 3.91Å; Q411-L415 HydrophobicContact CG-CG 4.35Å; Q411-L415 WeakPolarHBondContact O-CB 3.4Å; Q411-L415 VanDerWaalsContact O-CG 3.25Å; Q411-L415 WeakPolarHBondContact O-CG 3.38Å; Q411-L415 PolarHBondContact O-N 3.24Å; A412-L415 PolarHBondContact O-N 3.1Å; L415-L419 CarbonylContact O-C 3.54Å; L415-L419 PolarHBondContact O-N 2.87Å; L415-D420 PolarHBondContact O-N 2.91Å; L415-D420 VanDerWaalsContact O-N 3.1Å; L415-L421 HydrophobicContact CB-CB 4.31Å; L415-L421 HydrophobicContact CD2-CB 4.38Å; L415-L421 HydrophobicContact CD2-CD1 4.19Å; L415-L421 PolarHBondContact O-N 3.49Å; L415-L433 HydrophobicContact CD2-CD2 3.62Å; L415-Y626 WeakPolarHBondContact CD1-OH 3.33Å; L415-Y626 HydrophobicContact CD2-CE1 4.39Å; L415-Y626 VanDerWaalsContact CD2-OH 3.31Å; L415-Y626 WeakPolarHBondContact CD2-OH 3.4Å
416T72.8Confident78Confident74 Ų7465.4 Ų65.445%0.45438%0.379SS..Iπ-helixtrans-77.4-52.7-176-55.50000111.7A412 D420A412-T416 VanDerWaalsContact O-CB 3.27Å; A412-T416 WeakPolarHBondContact O-CB 3.48Å; A412-T416 PolarHBondContact O-N 3.29Å; A412-T416 PolarHBondContact O-OG1 2.84Å; T416-D420 WeakPolarHBondContact O-CA 3.48Å; T416-D420 PolarHBondContact O-N 3.29Å
417A58.3Low78.5Confident94 Ų9463.5 Ų63.578%0.77737%0.371SS*.Iπ-helixtrans-77.1-29.1-170.500000113.3A413A413-A417 WeakPolarHBondContact O-CA 3.47Å; A413-A417 WeakPolarHBondContact O-CB 3.45Å; A413-A417 PolarHBondContact O-N 3.32Å
418H57.6Low79Confident131 Ų13159.9 Ų59.961%0.60635%0.349SS*.Iπ-helixtrans-97.8-35.9-177.5-160.462.9000113.3V414 D437V414-H418 WeakPolarHBondContact O-CB 3.28Å; V414-H418 PolarHBondContact O-N 3.31Å; H418-D437 IonicContact NE2-OD1 3.31Å
419L60.4Low79.7Confident8 Ų855.5 Ų55.54%0.04232%0.322CS..Hα-helixtrans-120.8-8.6-168.6-60.7172.6000114.6L415 L421 D437 H440L415-L419 CarbonylContact O-C 3.54Å; L415-L419 PolarHBondContact O-N 2.87Å; L419-L421 VanDerWaalsContact C-N 3.28Å; L419-L421 HydrophobicContact CB-CB 4.32Å; L419-L421 HydrophobicContact CB-CD1 3.54Å; L419-L421 HydrophobicContact CB-CG 3.57Å; L419-L421 HydrophobicContact CD1-CD1 3.66Å; L419-L421 HydrophobicContact CG-CD1 4.22Å; L419-L421 PolarHBondContact O-N 3.28Å; L419-D437 HydrophobicContact CD2-CB 3.94Å; L419-H440 HydrophobicContact CD2-CB 4.37Å; L419-H440 PolarHBondContact O-ND1 3.27Å
420D68.9Low80.2Confident141 Ų14149.8 Ų49.875%0.75430%0.297SS*.  trans54.443.9-173.6-16021000112.1L415 T416L415-D420 PolarHBondContact O-N 2.91Å; L415-D420 VanDerWaalsContact O-N 3.1Å; T416-D420 WeakPolarHBondContact O-CA 3.48Å; T416-D420 PolarHBondContact O-N 3.29Å
421L79Confident80.8Confident12 Ų1245.2 Ų45.26%0.06328%0.276CS..  trans-107.9152.2-176.1-67.8178.1000112.3L415 L419 L436 C630 I634L415-L421 HydrophobicContact CB-CB 4.31Å; L415-L421 HydrophobicContact CD2-CB 4.38Å; L415-L421 HydrophobicContact CD2-CD1 4.19Å; L415-L421 PolarHBondContact O-N 3.49Å; L419-L421 VanDerWaalsContact C-N 3.28Å; L419-L421 HydrophobicContact CB-CB 4.32Å; L419-L421 HydrophobicContact CB-CD1 3.54Å; L419-L421 HydrophobicContact CB-CG 3.57Å; L419-L421 HydrophobicContact CD1-CD1 3.66Å; L419-L421 HydrophobicContact CG-CD1 4.22Å; L419-L421 PolarHBondContact O-N 3.28Å; L421-L436 HydrophobicContact CD1-CB 4.11Å; L421-L436 HydrophobicContact CD1-CD1 3.9Å; L421-C630 HydrophobicContact CD2-CB 3.82Å; L421-I634 HydrophobicContact CD2-CD1 4.13Å
422P81Confident81.4Confident52 Ų5244.9 Ų44.934%0.33827%0.274SS..  trans-68.3149.4178.729.2-36.1000112.5Y626P422-Y626 HydrophobicContact CG-CE2 4.44Å; P422-Y626 WeakPolarHBondContact O-CE2 3.3Å; P422-Y626 PolarHBondContact O-OH 3.4Å
423D82.7Confident81.9Confident93 Ų9344.8 Ų44.850%0.49727%0.271SS..  trans-61.8156.4178-66.9-33.1000113.7A412 R629A412-D423 WeakPolarHBondContact CA-OD1 3.29Å; A412-D423 VanDerWaalsContact CB-OD1 3.23Å; A412-D423 WeakPolarHBondContact CB-OD1 3.48Å; D423-R629 PolarHBondContact O-NH2 3.27Å; D423-R629 VanDerWaalsContact O-NH2 3.14Å
424S87.3Confident82.5Confident7 Ų745.8 Ų45.85%0.04927%0.265CS..  trans-129.8128.2170.7174.90000110.3Q411 V426Q411-S424 PolarHBondContact NE2-O 3.01Å; S424-V426 PolarHBondContact O-N 3.41Å; S424-V426 PolarHBondContact OG-N 3.22Å; S424-V426 PolarHBondContact OG-O 3.46Å
425P85.9Confident83.5Confident89 Ų8942.4 Ų42.458%0.57824%0.244SC*.SBendtrans-78.9-8.9-179.233.8-36.3000113.2Q753P425-Q753 HydrophobicContact CG-CG 4.13Å
426V91.9Very high84.1Confident13 Ų1342.5 Ų42.58%0.07925%0.245CC..SBendtrans-121.6154.3-176.3-67.30000110.8Q411 S424 E622 Q753Q411-V426 PolarHBondContact NE2-O 3.45Å; S424-V426 PolarHBondContact O-N 3.41Å; S424-V426 PolarHBondContact OG-N 3.22Å; S424-V426 PolarHBondContact OG-O 3.46Å; V426-E622 HydrophobicContact CG2-CB 3.92Å; V426-E622 HydrophobicContact CG2-CG 3.74Å; V426-Q753 HydrophobicContact CG1-CG 4.03Å; V426-Q753 HydrophobicContact CG2-CG 4.14Å
427P93.2Very high84.9Confident24 Ų2440.5 Ų40.516%0.15623%0.231CC..  trans-60.2140.1176.4-22.233.5000112.3T403 N619T403-P427 VanDerWaalsContact OG1-CA 3.31Å; T403-P427 WeakPolarHBondContact OG1-CA 3.5Å; P427-N619 PolarHBondContact O-OD1 2.82Å; P427-N619 VanDerWaalsContact O-OD1 3.1Å
428L94.8Very high86.5Confident0 Ų036.1 Ų36.10%020%0.195CC..  trans-115.8155.2178.8-58.9175.6000110.2T402 T403 I430 L433 E622 S623 Y626T402-L428 CarbonylContact C-O 3.56Å; T402-L428 WeakPolarHBondContact CA-O 3.5Å; T403-L428 PolarHBondContact N-O 3.15Å; T403-L428 PolarHBondContact OG1-N 3.27Å; T403-L428 PolarHBondContact OG1-O 3.31Å; L428-I430 PolarHBondContact O-N 2.71Å; L428-L433 HydrophobicContact CD1-CD2 4.01Å; L428-E622 HydrophobicContact CD2-CB 4.41Å; L428-S623 WeakPolarHBondContact CA-OG 3.12Å; L428-Y626 HydrophobicContact CD1-CD1 3.6Å; L428-Y626 HydrophobicContact CD1-CD2 3.93Å; L428-Y626 HydrophobicContact CD1-CE1 3.69Å; L428-Y626 HydrophobicContact CD1-CE2 4.02Å; L428-Y626 HydrophobicContact CD1-CG 3.74Å; L428-Y626 HydrophobicContact CD2-CG 4.14Å
429F95.6Very high88.1Confident0 Ų029.9 Ų29.90%017%0.166CC..BIsolated β-bridgetrans-67.4131.2172.9-84.3-63.5000111.4W399 R401 T402 S431 T432 L433 L616 N619 F620 S623W399-F429 HydrophobicContact CB-CE1 4.39Å; W399-F429 HydrophobicContact CB-CZ 4.42Å; W399-F429 HydrophobicContact CE3-CB 4.23Å; W399-F429 HydrophobicContact CE3-CD1 4.44Å; W399-F429 AromaticContact CE3-CD2 3.53Å; W399-F429 HydrophobicContact CE3-CD2 3.53Å; W399-F429 AromaticContact CE3-CE2 3.9Å; W399-F429 HydrophobicContact CE3-CE2 3.9Å; W399-F429 AromaticContact CE3-CG 3.81Å; W399-F429 HydrophobicContact CE3-CG 3.81Å; W399-F429 HydrophobicContact CZ3-CB 4.36Å; W399-F429 AromaticContact CZ3-CD2 3.89Å; W399-F429 HydrophobicContact CZ3-CD2 3.89Å; W399-F429 HydrophobicContact CZ3-CG 4.3Å; W399-F429 WeakPolarHBondContact O-CE1 3.49Å; W399-F429 WeakPolarHBondContact O-CZ 3.41Å; R401-F429 WeakPolarHBondContact O-CD1 3.18Å; T402-F429 HydrophobicContact CG2-CD1 3.72Å; T402-F429 HydrophobicContact CG2-CE1 3.6Å; T402-F429 HydrophobicContact CG2-CG 4.34Å; T402-F429 HydrophobicContact CG2-CZ 4.2Å; F429-S431 PolarHBondContact O-N 2.86Å; F429-T432 VanDerWaalsContact O-CB 3.31Å; F429-T432 WeakPolarHBondContact O-CB 3.39Å; F429-T432 PolarHBondContact O-N 3.44Å; F429-L433 PolarHBondContact O-N 2.86Å; F429-L616 HydrophobicContact CE1-CD2 3.83Å; F429-L616 HydrophobicContact CZ-CB 4.32Å; F429-L616 HydrophobicContact CZ-CD2 3.7Å; F429-N619 HydrophobicContact CD2-CB 4.27Å; F429-N619 HydrophobicContact CE2-CB 3.83Å; F429-N619 HydrophobicContact CZ-CB 4.11Å; F429-F620 VanDerWaalsContact CE2-CA 3.45Å; F429-F620 HydrophobicContact CE2-CB 3.81Å; F429-F620 VanDerWaalsContact CE2-N 3.3Å; F429-S623 WeakPolarHBondContact CD2-OG 3.19Å; F429-S623 PolarHBondContact N-OG 2.68Å
430I93.2Very high89.4Confident48 Ų4831.7 Ų31.725%0.24617%0.174CC..Hα-helixtrans-60.6-35.1179.3-62.6178.7000111R401 L428 T432 L433 K434R401-I430 HydrophobicContact CB-CD1 3.8Å; R401-I430 HydrophobicContact CB-CG1 4.36Å; R401-I430 PolarHBondContact O-N 3.44Å; L428-I430 PolarHBondContact O-N 2.71Å; I430-T432 VanDerWaalsContact C-N 3.27Å; I430-T432 PolarHBondContact O-N 3.49Å; I430-L433 PolarHBondContact O-N 2.62Å; I430-K434 HydrophobicContact CG2-CD 4.26Å; I430-K434 HydrophobicContact CG2-CG 4.42Å; I430-K434 WeakPolarHBondContact O-CG 3.22Å; I430-K434 PolarHBondContact O-N 2.73Å
431S94.8Very high90Very high6 Ų627.8 Ų27.84%0.04215%0.153CC..Hα-helixtrans-59.9-37.1174.852.40000112.5F391 T398 F429 K434 A435F391-S431 WeakPolarHBondContact CE2-O 3.25Å; T398-S431 WeakPolarHBondContact O-CB 3.28Å; T398-S431 PolarHBondContact O-OG 2.97Å; F429-S431 PolarHBondContact O-N 2.86Å; S431-K434 PolarHBondContact O-N 2.94Å; S431-A435 WeakPolarHBondContact O-CB 3.31Å; S431-A435 PolarHBondContact O-N 3Å
432T95.9Very high90.5Very high0 Ų027.2 Ų27.20%015%0.15CC..Hα-helixtrans-66.7-44176.5-62.90000111.4F429 I430 K434 A435 L436 Y467 S623 F627F429-T432 VanDerWaalsContact O-CB 3.31Å; F429-T432 WeakPolarHBondContact O-CB 3.39Å; F429-T432 PolarHBondContact O-N 3.44Å; I430-T432 VanDerWaalsContact C-N 3.27Å; I430-T432 PolarHBondContact O-N 3.49Å; T432-K434 VanDerWaalsContact C-N 3.34Å; T432-K434 PolarHBondContact O-N 3.43Å; T432-A435 PolarHBondContact O-N 3.4Å; T432-L436 HydrophobicContact CG2-CD1 4.42Å; T432-L436 WeakPolarHBondContact O-CG 3.31Å; T432-L436 PolarHBondContact O-N 2.91Å; T432-Y467 HydrophobicContact CG2-CE2 4.17Å; T432-Y467 WeakPolarHBondContact CG2-OH 3.48Å; T432-Y467 WeakPolarHBondContact OG1-CE2 3.38Å; T432-Y467 PolarHBondContact OG1-OH 2.94Å; T432-S623 WeakPolarHBondContact CG2-O 3.27Å; T432-F627 HydrophobicContact CG2-CB 3.81Å; T432-F627 HydrophobicContact CG2-CD2 4.11Å; T432-F627 HydrophobicContact CG2-CG 4.42Å
433L92.7Very high90.8Very high21 Ų2125.3 Ų25.311%0.1114%0.137CC..Hα-helixtrans-63.7-40.2176.3-59.7-174.8000112T403 L415 L428 F429 I430 A435 L436 D437 Y626T403-L433 HydrophobicContact CG2-CD1 3.58Å; L415-L433 HydrophobicContact CD2-CD2 3.62Å; L428-L433 HydrophobicContact CD1-CD2 4.01Å; F429-L433 PolarHBondContact O-N 2.86Å; I430-L433 PolarHBondContact O-N 2.62Å; L433-A435 VanDerWaalsContact C-N 3.34Å; L433-A435 PolarHBondContact O-N 3.02Å; L433-L436 PolarHBondContact O-N 2.83Å; L433-D437 PolarHBondContact O-N 3.05Å; L433-Y626 HydrophobicContact CD2-CE1 4.23Å
434K92.1Very high90.7Very high77 Ų7726.3 Ų26.334%0.33514%0.141SC..Hα-helixtrans-65.1-35.6174.3-72.1179.9176.5-174.30113F391 I430 S431 T432 D437 C438F391-K434 HydrophobicContact CD1-CB 4.41Å; F391-K434 HydrophobicContact CD2-CB 3.96Å; F391-K434 HydrophobicContact CD2-CD 4.29Å; F391-K434 HydrophobicContact CE1-CB 4Å; F391-K434 HydrophobicContact CE2-CB 3.51Å; F391-K434 HydrophobicContact CG-CB 4.42Å; F391-K434 HydrophobicContact CG-CD 4.26Å; F391-K434 VanDerWaalsContact CZ-C 3.48Å; F391-K434 HydrophobicContact CZ-CB 3.57Å; I430-K434 HydrophobicContact CG2-CD 4.26Å; I430-K434 HydrophobicContact CG2-CG 4.42Å; I430-K434 WeakPolarHBondContact O-CG 3.22Å; I430-K434 PolarHBondContact O-N 2.73Å; S431-K434 PolarHBondContact O-N 2.94Å; T432-K434 VanDerWaalsContact C-N 3.34Å; T432-K434 PolarHBondContact O-N 3.43Å; K434-D437 WeakPolarHBondContact O-CB 3.44Å; K434-D437 PolarHBondContact O-N 3.42Å; K434-C438 PolarHBondContact O-N 3.46Å; K434-C438 VanDerWaalsContact O-N 3.09Å; K434-C438 PolarHBondContact O-SG 3.44Å
435A95.3Very high90.5Very high0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-65.9-42.3174.400000111F391 L392 S431 T432 L433 C438 C439 Y467 F627F391-A435 HydrophobicContact CE2-CB 4.3Å; F391-A435 HydrophobicContact CZ-CB 4.34Å; L392-A435 HydrophobicContact CD1-CB 4.48Å; S431-A435 WeakPolarHBondContact O-CB 3.31Å; S431-A435 PolarHBondContact O-N 3Å; T432-A435 PolarHBondContact O-N 3.4Å; L433-A435 VanDerWaalsContact C-N 3.34Å; L433-A435 PolarHBondContact O-N 3.02Å; A435-C438 PolarHBondContact O-N 3.19Å; A435-C439 PolarHBondContact O-N 2.89Å; A435-C439 PolarHBondContact O-SG 3.49Å; A435-Y467 HydrophobicContact CB-CD2 3.74Å; A435-Y467 HydrophobicContact CB-CE2 4.31Å; A435-F627 HydrophobicContact CB-CD2 4.43Å; A435-F627 HydrophobicContact CB-CE2 3.86Å
436L93.4Very high90.5Very high2 Ų221.8 Ų21.81%0.0111%0.111CC..Hα-helixtrans-64.4-38.6174.8-69.9169.6000112.6L421 T432 L433 C439 H440 Y626 F627 C630L421-L436 HydrophobicContact CD1-CB 4.11Å; L421-L436 HydrophobicContact CD1-CD1 3.9Å; T432-L436 HydrophobicContact CG2-CD1 4.42Å; T432-L436 WeakPolarHBondContact O-CG 3.31Å; T432-L436 PolarHBondContact O-N 2.91Å; L433-L436 PolarHBondContact O-N 2.83Å; L436-C439 WeakPolarHBondContact O-CB 3.32Å; L436-C439 PolarHBondContact O-N 2.92Å; L436-H440 WeakPolarHBondContact O-CB 3.36Å; L436-H440 PolarHBondContact O-N 3.26Å; L436-Y626 HydrophobicContact CD1-CD1 3.97Å; L436-Y626 HydrophobicContact CD1-CE1 3.68Å; L436-F627 HydrophobicContact CD1-CD2 4.46Å; L436-F627 HydrophobicContact CD2-CD2 3.65Å; L436-F627 HydrophobicContact CD2-CE2 3.87Å; L436-F627 HydrophobicContact CD2-CG 4.4Å; L436-F627 HydrophobicContact CG-CD2 3.75Å; L436-F627 HydrophobicContact CG-CE2 4.14Å; L436-C630 HydrophobicContact CD1-CB 4.1Å; L436-C630 HydrophobicContact CD2-CB 3.76Å
437D89.5Confident89.9Confident33 Ų3323 Ų2318%0.17612%0.12CC..Hα-helixtrans-56.5-49.9171.5178.460.8000111.7K387 H418 L419 L433 K434 C439 H440 D441K387-D437 IonicContact NZ-OD2 3.39Å; K387-D437 PolarHBondContact NZ-OD2 3.47Å; H418-D437 IonicContact NE2-OD1 3.31Å; L419-D437 HydrophobicContact CD2-CB 3.94Å; L433-D437 PolarHBondContact O-N 3.05Å; K434-D437 WeakPolarHBondContact O-CB 3.44Å; K434-D437 PolarHBondContact O-N 3.42Å; D437-C439 VanDerWaalsContact C-N 3.31Å; D437-C439 PolarHBondContact O-N 2.91Å; D437-H440 PolarHBondContact O-N 3.4Å; D437-H440 VanDerWaalsContact O-N 3.17Å; D437-D441 PolarHBondContact O-N 3.4Å
438C90.8Very high88.9Confident1 Ų122.3 Ų22.31%0.00712%0.116CC..Hα-helixtrans-60.6-38.7174.8-71.20000112.9V384 K434 A435 V442 I463V384-C438 HydrophobicContact CG1-CB 4.08Å; K434-C438 PolarHBondContact O-N 3.46Å; K434-C438 VanDerWaalsContact O-N 3.09Å; K434-C438 PolarHBondContact O-SG 3.44Å; A435-C438 PolarHBondContact O-N 3.19Å; C438-V442 WeakPolarHBondContact O-CG2 3.41Å; C438-V442 PolarHBondContact O-N 2.87Å; C438-I463 HydrophobicContact CB-CD1 4.13Å; C438-I463 HydrophobicContact CB-CG2 4.29Å
439C92.2Very high88.1Confident0 Ų022.7 Ų22.70%012%0.118CC..Hα-helixtrans-64.3-44.6174.3-67.10000111.5A435 L436 D437 D441 V442 V443 W460A435-C439 PolarHBondContact O-N 2.89Å; A435-C439 PolarHBondContact O-SG 3.49Å; L436-C439 WeakPolarHBondContact O-CB 3.32Å; L436-C439 PolarHBondContact O-N 2.92Å; D437-C439 VanDerWaalsContact C-N 3.31Å; D437-C439 PolarHBondContact O-N 2.91Å; C439-D441 PolarHBondContact O-N 3.41Å; C439-V442 PolarHBondContact O-N 3.27Å; C439-V443 WeakPolarHBondContact O-CB 3.33Å; C439-V443 VanDerWaalsContact O-CG2 3.28Å; C439-V443 WeakPolarHBondContact O-CG2 3.48Å; C439-V443 PolarHBondContact O-N 3Å; C439-W460 PolarHBondContact SG-NE1 2.88Å
440H86.3Confident87.2Confident46 Ų4625 Ų2521%0.21313%0.133CC..Hα-helixtrans-60.4-46.1-179.5-176.291.1000111.4L419 L436 D437 V442 V443 M444L419-H440 HydrophobicContact CD2-CB 4.37Å; L419-H440 PolarHBondContact O-ND1 3.27Å; L436-H440 WeakPolarHBondContact O-CB 3.36Å; L436-H440 PolarHBondContact O-N 3.26Å; D437-H440 PolarHBondContact O-N 3.4Å; D437-H440 VanDerWaalsContact O-N 3.17Å; H440-V442 VanDerWaalsContact C-N 3.29Å; H440-V442 PolarHBondContact O-N 2.94Å; H440-V443 PolarHBondContact O-N 2.98Å; H440-M444 WeakPolarHBondContact O-CB 3.28Å; H440-M444 WeakPolarHBondContact O-CG 3.41Å; H440-M444 PolarHBondContact O-N 3Å
441D82.7Confident86.6Confident59 Ų5924.9 Ų24.932%0.31614%0.137SC..Hα-helixtrans-54.2-44.3175.3-86.8-25.2000112.6D437 C439 I445D437-D441 PolarHBondContact O-N 3.4Å; C439-D441 PolarHBondContact O-N 3.41Å; D441-I445 WeakPolarHBondContact O-CD1 3.42Å; D441-I445 WeakPolarHBondContact O-CG1 3.42Å; D441-I445 PolarHBondContact O-N 3.44Å
442V89.4Confident86.2Confident0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-71.9-42.4179.7174.90000111.4V384 C438 C439 H440 M444 I445 L446 F456 L459 W460 I463V384-V442 HydrophobicContact CG1-CG2 4.09Å; C438-V442 WeakPolarHBondContact O-CG2 3.41Å; C438-V442 PolarHBondContact O-N 2.87Å; C439-V442 PolarHBondContact O-N 3.27Å; H440-V442 VanDerWaalsContact C-N 3.29Å; H440-V442 PolarHBondContact O-N 2.94Å; V442-M444 VanDerWaalsContact C-N 3.34Å; V442-M444 PolarHBondContact O-N 3Å; V442-I445 PolarHBondContact O-N 3.36Å; V442-L446 WeakPolarHBondContact O-CB 3.48Å; V442-L446 PolarHBondContact O-N 2.99Å; V442-F456 HydrophobicContact CG1-CB 4.37Å; V442-F456 VanDerWaalsContact CG1-O 3.22Å; V442-F456 WeakPolarHBondContact CG1-O 3.5Å; V442-L459 HydrophobicContact CG1-CB 4.21Å; V442-L459 HydrophobicContact CG1-CD2 4.21Å; V442-L459 HydrophobicContact CG1-CG 4.19Å; V442-L459 HydrophobicContact CG2-CD2 3.79Å; V442-L459 HydrophobicContact CG2-CG 3.99Å; V442-W460 HydrophobicContact CG1-CB 4.12Å; V442-I463 HydrophobicContact CG2-CD1 3.87Å
443V87.3Confident85.9Confident12 Ų1225.4 Ų25.47%0.07314%0.138CC..Hα-helixtrans-65.8-37.5-179.51690000111.9C439 H440 I445 L446 S447 W460 I634 L638C439-V443 WeakPolarHBondContact O-CB 3.33Å; C439-V443 VanDerWaalsContact O-CG2 3.28Å; C439-V443 WeakPolarHBondContact O-CG2 3.48Å; C439-V443 PolarHBondContact O-N 3Å; H440-V443 PolarHBondContact O-N 2.98Å; V443-I445 VanDerWaalsContact C-N 3.3Å; V443-I445 PolarHBondContact O-N 3.43Å; V443-L446 WeakPolarHBondContact O-CB 3.46Å; V443-L446 PolarHBondContact O-N 2.94Å; V443-S447 WeakPolarHBondContact O-CB 3.47Å; V443-S447 PolarHBondContact O-N 3.32Å; V443-S447 PolarHBondContact O-OG 2.88Å; V443-W460 HydrophobicContact CG2-CD2 3.76Å; V443-W460 HydrophobicContact CG2-CE3 3.71Å; V443-W460 HydrophobicContact CG2-CG 4.34Å; V443-W460 HydrophobicContact CG2-CH2 4.17Å; V443-W460 HydrophobicContact CG2-CZ2 4.21Å; V443-W460 HydrophobicContact CG2-CZ3 3.93Å; V443-I634 HydrophobicContact CB-CG2 4.21Å; V443-I634 HydrophobicContact CG1-CG2 3.66Å; V443-I634 HydrophobicContact CG2-CG2 3.9Å; V443-L638 HydrophobicContact CG1-CD2 3.83Å
444M80.9Confident85.7Confident114 Ų11425.7 Ų25.756%0.56214%0.144SC*.Hα-helixtrans-60.4-41.4174-78-63.4-72.100111.5H440 V442 S448H440-M444 WeakPolarHBondContact O-CB 3.28Å; H440-M444 WeakPolarHBondContact O-CG 3.41Å; H440-M444 PolarHBondContact O-N 3Å; V442-M444 VanDerWaalsContact C-N 3.34Å; V442-M444 PolarHBondContact O-N 3Å; M444-S448 PolarHBondContact O-N 3.41Å
445I82.2Confident85.7Confident2 Ų225.5 Ų25.51%0.0114%0.144CC..Hα-helixtrans-69.5-46176.7-63.2165000110.9K340 F376 L380 D441 V442 V443 S447 S448 T449 F456K340-I445 HydrophobicContact CD-CG1 4.34Å; K340-I445 VanDerWaalsContact CE-CD1 3.43Å; K340-I445 HydrophobicContact CG-CG1 4.33Å; F376-I445 HydrophobicContact CE1-CG2 4.09Å; F376-I445 HydrophobicContact CZ-CD1 4.27Å; L380-I445 HydrophobicContact CD1-CD1 4.08Å; L380-I445 HydrophobicContact CD2-CD1 3.53Å; L380-I445 HydrophobicContact CG-CD1 4.47Å; D441-I445 WeakPolarHBondContact O-CD1 3.42Å; D441-I445 WeakPolarHBondContact O-CG1 3.42Å; D441-I445 PolarHBondContact O-N 3.44Å; V442-I445 PolarHBondContact O-N 3.36Å; V443-I445 VanDerWaalsContact C-N 3.3Å; V443-I445 PolarHBondContact O-N 3.43Å; I445-S447 VanDerWaalsContact C-N 3.27Å; I445-S447 PolarHBondContact O-N 3.2Å; I445-S448 PolarHBondContact O-N 3.46Å; I445-S448 PolarHBondContact O-OG 3.21Å; I445-T449 PolarHBondContact O-N 3.23Å; I445-T449 PolarHBondContact O-OG1 3.09Å; I445-F456 HydrophobicContact CB-CD1 4.46Å; I445-F456 HydrophobicContact CB-CE1 4.43Å; I445-F456 HydrophobicContact CG2-CD1 3.84Å; I445-F456 HydrophobicContact CG2-CD2 4.26Å; I445-F456 HydrophobicContact CG2-CE1 3.43Å; I445-F456 VanDerWaalsContact CG2-CE1 3.43Å; I445-F456 HydrophobicContact CG2-CE2 3.9Å; I445-F456 HydrophobicContact CG2-CG 4.26Å; I445-F456 HydrophobicContact CG2-CZ 3.48Å; I445-F456 VanDerWaalsContact CG2-CZ 3.48Å
446L85.7Confident85.5Confident0 Ų025.6 Ų25.60%014%0.144CC..Hα-helixtrans-52.5-46.7176.7177.2158.4000111.3V442 V443 S448 T449 C453 F456 F457 L638 V642V442-L446 WeakPolarHBondContact O-CB 3.48Å; V442-L446 PolarHBondContact O-N 2.99Å; V443-L446 WeakPolarHBondContact O-CB 3.46Å; V443-L446 PolarHBondContact O-N 2.94Å; L446-S448 VanDerWaalsContact C-N 3.27Å; L446-S448 PolarHBondContact O-N 2.88Å; L446-T449 CarbonylContact O-C 3.44Å; L446-T449 PolarHBondContact O-N 3.33Å; L446-C453 HydrophobicContact CG-CB 4.22Å; L446-F456 HydrophobicContact CB-CB 3.79Å; L446-F456 HydrophobicContact CD1-CB 4.24Å; L446-F456 HydrophobicContact CG-CB 4.23Å; L446-F457 HydrophobicContact CD1-CB 3.76Å; L446-F457 HydrophobicContact CD1-CD2 4.04Å; L446-F457 HydrophobicContact CD1-CG 4.43Å; L446-L638 HydrophobicContact CD2-CD1 4.36Å; L446-L638 HydrophobicContact CD2-CD2 3.85Å; L446-V642 HydrophobicContact CD2-CG1 3.58Å
447S79Confident85.5Confident37 Ų3725.5 Ų25.526%0.25914%0.144SC..Hα-helixtrans-68.9-25-179.7-58.60000113.1V443 I445V443-S447 WeakPolarHBondContact O-CB 3.47Å; V443-S447 PolarHBondContact O-N 3.32Å; V443-S447 PolarHBondContact O-OG 2.88Å; I445-S447 VanDerWaalsContact C-N 3.27Å; I445-S447 PolarHBondContact O-N 3.2Å
448S72.5Confident85.8Confident11 Ų1129.9 Ų29.98%0.07716%0.158CC..Hα-helixtrans-85.1-17.6175.972.30000113.7F343 R344 M444 I445 L446 P450F343-S448 WeakPolarHBondContact CD1-O 3.48Å; R344-S448 VanDerWaalsContact CG-O 3.27Å; R344-S448 WeakPolarHBondContact CG-O 3.39Å; M444-S448 PolarHBondContact O-N 3.41Å; I445-S448 PolarHBondContact O-N 3.46Å; I445-S448 PolarHBondContact O-OG 3.21Å; L446-S448 VanDerWaalsContact C-N 3.27Å; L446-S448 PolarHBondContact O-N 2.88Å; S448-P450 WeakPolarHBondContact O-CD 3.26Å
449T78.2Confident85.9Confident7 Ų730 Ų304%0.04316%0.158CC..  trans-12868.7-168.6-45.80000112.1F343 I372 I445 L446 S451 F452 C453 F456F343-T449 HydrophobicContact CD1-CG2 3.87Å; F343-T449 HydrophobicContact CD2-CG2 4.34Å; F343-T449 HydrophobicContact CE1-CG2 3.4Å; F343-T449 VanDerWaalsContact CE1-CG2 3.4Å; F343-T449 HydrophobicContact CE2-CG2 3.9Å; F343-T449 HydrophobicContact CG-CG2 4.32Å; F343-T449 HydrophobicContact CZ-CG2 3.39Å; I372-T449 HydrophobicContact CD1-CG2 4.29Å; I445-T449 PolarHBondContact O-N 3.23Å; I445-T449 PolarHBondContact O-OG1 3.09Å; L446-T449 CarbonylContact O-C 3.44Å; L446-T449 PolarHBondContact O-N 3.33Å; T449-S451 PolarHBondContact O-N 3.05Å; T449-S451 VanDerWaalsContact O-N 3.15Å; T449-F452 HydrophobicContact CG2-CB 3.98Å; T449-F452 HydrophobicContact CG2-CD2 3.64Å; T449-F452 HydrophobicContact CG2-CG 4.29Å; T449-F452 PolarHBondContact O-N 3.32Å; T449-F452 VanDerWaalsContact O-N 3.14Å; T449-C453 PolarHBondContact O-N 3.38Å; T449-F456 HydrophobicContact CG2-CE2 4Å
450P76.7Confident86.1Confident50 Ų5030 Ų3033%0.32516%0.158SC..G310 helixtrans-64.5-22.3-171.924.7-35000114.5S448 F452 C453 K645S448-P450 WeakPolarHBondContact O-CD 3.26Å; P450-F452 VanDerWaalsContact C-N 3.34Å; P450-C453 PolarHBondContact O-SG 3.49Å; P450-C453 VanDerWaalsContact O-SG 3.37Å; P450-K645 PolarHBondContact O-NZ 3.48Å
451S81Confident86.6Confident45 Ų4528.3 Ų28.332%0.31515%0.151SC..G310 helixtrans-66.6-36.417653.30000112.3T449 K645T449-S451 PolarHBondContact O-N 3.05Å; T449-S451 VanDerWaalsContact O-N 3.15Å; S451-K645 PolarHBondContact O-NZ 3.46Å
452F86.7Confident87.3Confident17 Ų1727.9 Ų27.98%0.07515%0.147CC..G310 helixtrans-10818.1-176.1-63.9-78.4000113N369 I372 K373 T449 P450 A454 E455 F456N369-F452 HydrophobicContact CB-CE2 4.34Å; N369-F452 HydrophobicContact CB-CZ 3.77Å; N369-F452 WeakPolarHBondContact OD1-CE2 3.08Å; I372-F452 HydrophobicContact CB-CD2 4.27Å; I372-F452 HydrophobicContact CB-CE2 3.92Å; I372-F452 HydrophobicContact CB-CZ 4.12Å; I372-F452 HydrophobicContact CD1-CD2 3.98Å; I372-F452 HydrophobicContact CD1-CE2 3.76Å; I372-F452 HydrophobicContact CG1-CE2 4.46Å; I372-F452 HydrophobicContact CG2-CB 4.48Å; I372-F452 HydrophobicContact CG2-CD1 4.11Å; I372-F452 HydrophobicContact CG2-CD2 3.66Å; I372-F452 HydrophobicContact CG2-CE1 4.23Å; I372-F452 HydrophobicContact CG2-CE2 3.81Å; I372-F452 HydrophobicContact CG2-CG 3.82Å; I372-F452 HydrophobicContact CG2-CZ 4.08Å; K373-F452 HydrophobicContact CB-CE1 4.37Å; T449-F452 HydrophobicContact CG2-CB 3.98Å; T449-F452 HydrophobicContact CG2-CD2 3.64Å; T449-F452 HydrophobicContact CG2-CG 4.29Å; T449-F452 PolarHBondContact O-N 3.32Å; T449-F452 VanDerWaalsContact O-N 3.14Å; P450-F452 VanDerWaalsContact C-N 3.34Å; F452-A454 PolarHBondContact O-N 2.82Å; F452-E455 WeakPolarHBondContact CA-OE2 3.39Å; F452-E455 PolarHBondContact O-N 3.2Å; F452-E455 VanDerWaalsContact O-OE2 3.06Å; F452-F456 HydrophobicContact CB-CD2 3.98Å; F452-F456 HydrophobicContact CB-CE2 3.72Å; F452-F456 WeakPolarHBondContact O-CD2 3.03Å; F452-F456 PolarHBondContact O-N 2.97Å
453C88.5Confident87.6Confident0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-61.1-30.4-17364.80000112.7L446 T449 P450 F457 V642L446-C453 HydrophobicContact CG-CB 4.22Å; T449-C453 PolarHBondContact O-N 3.38Å; P450-C453 PolarHBondContact O-SG 3.49Å; P450-C453 VanDerWaalsContact O-SG 3.37Å; C453-F457 WeakPolarHBondContact O-CB 3.33Å; C453-F457 PolarHBondContact O-N 2.95Å; C453-V642 HydrophobicContact CB-CG1 3.97Å
454A90Very high88.1Confident27 Ų2727.3 Ų27.322%0.22314%0.143CC..Hα-helixtrans-67.7-41.7179.700000111.6F452 F457 R458 L646 T649F452-A454 PolarHBondContact O-N 2.82Å; A454-F457 PolarHBondContact O-N 3.27Å; A454-R458 WeakPolarHBondContact O-CB 3.45Å; A454-R458 PolarHBondContact O-N 3.41Å; A454-L646 HydrophobicContact CB-CD2 4.48Å; A454-T649 HydrophobicContact CB-CG2 3.77Å
455E91.1Very high89Confident73 Ų7325 Ų2534%0.34114%0.136SC..Hα-helixtrans-68.7-42.5179-61.990.9148.200111.5L377 F452 F457 R458 L459L377-E455 HydrophobicContact CD1-CB 4.3Å; L377-E455 HydrophobicContact CD2-CB 3.71Å; L377-E455 HydrophobicContact CD2-CG 4.23Å; F452-E455 WeakPolarHBondContact CA-OE2 3.39Å; F452-E455 PolarHBondContact O-N 3.2Å; F452-E455 VanDerWaalsContact O-OE2 3.06Å; E455-F457 VanDerWaalsContact C-N 3.34Å; E455-R458 WeakPolarHBondContact O-CB 3.49Å; E455-R458 PolarHBondContact O-N 2.99Å; E455-L459 PolarHBondContact O-N 3.29Å; E455-L459 VanDerWaalsContact O-N 3.1Å
456F91.8Very high89.7Confident1 Ų125.6 Ų25.60%0.00414%0.139CC..Hα-helixtrans-67.7-34.8172.7-69-68.1000112.2I372 F376 L377 L380 V442 I445 L446 T449 F452 R458 L459 W460I372-F456 HydrophobicContact CG2-CZ 4.47Å; F376-F456 HydrophobicContact CD1-CE1 4.49Å; F376-F456 HydrophobicContact CD1-CZ 4.15Å; F376-F456 HydrophobicContact CE1-CE1 4.11Å; F376-F456 AromaticContact CE1-CZ 3.98Å; F376-F456 HydrophobicContact CE1-CZ 3.98Å; L377-F456 HydrophobicContact CD1-CD1 3.7Å; L377-F456 HydrophobicContact CD1-CE1 3.48Å; L377-F456 VanDerWaalsContact CD1-CE1 3.48Å; L377-F456 HydrophobicContact CD1-CG 4.31Å; L377-F456 HydrophobicContact CD1-CZ 3.94Å; L380-F456 HydrophobicContact CD2-CD1 4.12Å; L380-F456 HydrophobicContact CD2-CE1 3.67Å; V442-F456 HydrophobicContact CG1-CB 4.37Å; V442-F456 VanDerWaalsContact CG1-O 3.22Å; V442-F456 WeakPolarHBondContact CG1-O 3.5Å; I445-F456 HydrophobicContact CB-CD1 4.46Å; I445-F456 HydrophobicContact CB-CE1 4.43Å; I445-F456 HydrophobicContact CG2-CD1 3.84Å; I445-F456 HydrophobicContact CG2-CD2 4.26Å; I445-F456 HydrophobicContact CG2-CE1 3.43Å; I445-F456 VanDerWaalsContact CG2-CE1 3.43Å; I445-F456 HydrophobicContact CG2-CE2 3.9Å; I445-F456 HydrophobicContact CG2-CG 4.26Å; I445-F456 HydrophobicContact CG2-CZ 3.48Å; I445-F456 VanDerWaalsContact CG2-CZ 3.48Å; L446-F456 HydrophobicContact CB-CB 3.79Å; L446-F456 HydrophobicContact CD1-CB 4.24Å; L446-F456 HydrophobicContact CG-CB 4.23Å; T449-F456 HydrophobicContact CG2-CE2 4Å; F452-F456 HydrophobicContact CB-CD2 3.98Å; F452-F456 HydrophobicContact CB-CE2 3.72Å; F452-F456 WeakPolarHBondContact O-CD2 3.03Å; F452-F456 PolarHBondContact O-N 2.97Å; F456-R458 VanDerWaalsContact C-N 3.32Å; F456-R458 PolarHBondContact O-N 2.94Å; F456-L459 WeakPolarHBondContact O-CB 3.49Å; F456-L459 PolarHBondContact O-N 3.47Å; F456-W460 PolarHBondContact O-N 2.94Å
457F93.9Very high90.3Very high1 Ų125.6 Ų25.60%0.00414%0.139CC..Hα-helixtrans-65.8-38.3174.9-171.1-99.2000111.2L446 C453 A454 E455 L459 W460 L461 L635 L646 P680 F684L446-F457 HydrophobicContact CD1-CB 3.76Å; L446-F457 HydrophobicContact CD1-CD2 4.04Å; L446-F457 HydrophobicContact CD1-CG 4.43Å; C453-F457 WeakPolarHBondContact O-CB 3.33Å; C453-F457 PolarHBondContact O-N 2.95Å; A454-F457 PolarHBondContact O-N 3.27Å; E455-F457 VanDerWaalsContact C-N 3.34Å; F457-L459 VanDerWaalsContact C-N 3.27Å; F457-L459 PolarHBondContact O-N 3.33Å; F457-W460 AromaticContact CD2-CE3 3.69Å; F457-W460 HydrophobicContact CD2-CE3 3.69Å; F457-W460 HydrophobicContact CD2-CZ3 4.17Å; F457-W460 AromaticContact CE2-CE3 3.57Å; F457-W460 HydrophobicContact CE2-CE3 3.57Å; F457-W460 AromaticContact CE2-CZ3 3.73Å; F457-W460 HydrophobicContact CE2-CZ3 3.73Å; F457-W460 WeakPolarHBondContact O-CB 3.32Å; F457-W460 PolarHBondContact O-N 3.33Å; F457-W460 VanDerWaalsContact O-N 3.14Å; F457-L461 PolarHBondContact O-N 3.2Å; F457-L635 HydrophobicContact CE2-CD1 3.98Å; F457-L635 HydrophobicContact CZ-CD1 4.42Å; F457-L646 HydrophobicContact CB-CD1 4.29Å; F457-L646 HydrophobicContact CB-CD2 3.56Å; F457-L646 HydrophobicContact CD1-CD2 4.25Å; F457-L646 HydrophobicContact CD2-CD1 3.62Å; F457-L646 HydrophobicContact CD2-CD2 4.33Å; F457-L646 HydrophobicContact CE2-CD1 4.11Å; F457-L646 HydrophobicContact CG-CD1 3.95Å; F457-L646 HydrophobicContact CG-CD2 3.8Å; F457-L646 HydrophobicContact CG-CG 4.48Å; F457-P680 HydrophobicContact CD1-CB 4.14Å; F457-P680 HydrophobicContact CE1-CB 4.3Å; F457-F684 HydrophobicContact CE1-CB 3.93Å; F457-F684 HydrophobicContact CE1-CD2 4.44Å; F457-F684 HydrophobicContact CE1-CG 4.28Å; F457-F684 HydrophobicContact CE2-CD2 4.46Å; F457-F684 HydrophobicContact CE2-CG 4.5Å; F457-F684 HydrophobicContact CZ-CB 3.77Å; F457-F684 HydrophobicContact CZ-CD1 4.14Å; F457-F684 AromaticContact CZ-CD2 3.93Å; F457-F684 HydrophobicContact CZ-CD2 3.93Å; F457-F684 AromaticContact CZ-CG 3.69Å; F457-F684 HydrophobicContact CZ-CG 3.69Å
458R93.8Very high91.3Very high124 Ų12425.2 Ų25.247%0.46813%0.134SC..Hα-helixtrans-63-33.9173-165177-175.582-0.2112.1A454 E455 F456 Q462A454-R458 WeakPolarHBondContact O-CB 3.45Å; A454-R458 PolarHBondContact O-N 3.41Å; E455-R458 WeakPolarHBondContact O-CB 3.49Å; E455-R458 PolarHBondContact O-N 2.99Å; F456-R458 VanDerWaalsContact C-N 3.32Å; F456-R458 PolarHBondContact O-N 2.94Å; R458-Q462 WeakPolarHBondContact O-CG 3.48Å; R458-Q462 PolarHBondContact O-N 3.2Å
459L94.4Very high92.5Very high4 Ų429.7 Ų29.72%0.02115%0.154CC..Hα-helixtrans-67.4-42.217218059000111.7L380 R381 V385 V442 E455 F456 F457 Q462 I463L380-L459 HydrophobicContact CD2-CD2 4.07Å; L380-L459 HydrophobicContact CG-CD2 4.22Å; R381-L459 HydrophobicContact CB-CD1 4.07Å; R381-L459 HydrophobicContact CG-CD1 3.92Å; V385-L459 HydrophobicContact CG2-CD1 3.48Å; V385-L459 VanDerWaalsContact CG2-CD1 3.48Å; V442-L459 HydrophobicContact CG1-CB 4.21Å; V442-L459 HydrophobicContact CG1-CD2 4.21Å; V442-L459 HydrophobicContact CG1-CG 4.19Å; V442-L459 HydrophobicContact CG2-CD2 3.79Å; V442-L459 HydrophobicContact CG2-CG 3.99Å; E455-L459 PolarHBondContact O-N 3.29Å; E455-L459 VanDerWaalsContact O-N 3.1Å; F456-L459 WeakPolarHBondContact O-CB 3.49Å; F456-L459 PolarHBondContact O-N 3.47Å; F457-L459 VanDerWaalsContact C-N 3.27Å; F457-L459 PolarHBondContact O-N 3.33Å; L459-Q462 WeakPolarHBondContact O-CB 3.39Å; L459-Q462 PolarHBondContact O-N 3.34Å; L459-I463 PolarHBondContact O-N 3.38Å
460W95.9Very high93.4Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-60.4-46173.7-177.218.8000111.4C439 V442 V443 F456 F457 Q462 I463 V464 I634 L635 L638 F684C439-W460 PolarHBondContact SG-NE1 2.88Å; V442-W460 HydrophobicContact CG1-CB 4.12Å; V443-W460 HydrophobicContact CG2-CD2 3.76Å; V443-W460 HydrophobicContact CG2-CE3 3.71Å; V443-W460 HydrophobicContact CG2-CG 4.34Å; V443-W460 HydrophobicContact CG2-CH2 4.17Å; V443-W460 HydrophobicContact CG2-CZ2 4.21Å; V443-W460 HydrophobicContact CG2-CZ3 3.93Å; F456-W460 PolarHBondContact O-N 2.94Å; F457-W460 AromaticContact CD2-CE3 3.69Å; F457-W460 HydrophobicContact CD2-CE3 3.69Å; F457-W460 HydrophobicContact CD2-CZ3 4.17Å; F457-W460 AromaticContact CE2-CE3 3.57Å; F457-W460 HydrophobicContact CE2-CE3 3.57Å; F457-W460 AromaticContact CE2-CZ3 3.73Å; F457-W460 HydrophobicContact CE2-CZ3 3.73Å; F457-W460 WeakPolarHBondContact O-CB 3.32Å; F457-W460 PolarHBondContact O-N 3.33Å; F457-W460 VanDerWaalsContact O-N 3.14Å; W460-Q462 VanDerWaalsContact C-N 3.29Å; W460-Q462 PolarHBondContact O-N 3.31Å; W460-I463 WeakPolarHBondContact O-CB 3.35Å; W460-I463 PolarHBondContact O-N 3.46Å; W460-I463 VanDerWaalsContact O-N 3.07Å; W460-V464 PolarHBondContact O-N 3.33Å; W460-I634 HydrophobicContact CH2-CB 4.18Å; W460-I634 HydrophobicContact CH2-CG2 3.81Å; W460-I634 HydrophobicContact CZ2-CB 4.35Å; W460-I634 HydrophobicContact CZ2-CG2 4.11Å; W460-L635 HydrophobicContact CH2-CB 4.02Å; W460-L635 HydrophobicContact CZ3-CB 4.48Å; W460-L635 HydrophobicContact CZ3-CD1 4.22Å; W460-L638 HydrophobicContact CZ3-CD1 4.42Å; W460-F684 AromaticContact CD2-CE2 3.61Å; W460-F684 HydrophobicContact CD2-CE2 3.61Å; W460-F684 AromaticContact CD2-CZ 3.91Å; W460-F684 HydrophobicContact CD2-CZ 3.91Å; W460-F684 AromaticContact CE2-CE2 3.58Å; W460-F684 AromaticContact CE2-CZ 3.49Å; W460-F684 VanDerWaalsContact CE2-CZ 3.49Å; W460-F684 HydrophobicContact CE3-CE2 4.03Å; W460-F684 HydrophobicContact CE3-CZ 4.16Å; W460-F684 AromaticContact CG-CE2 3.98Å; W460-F684 HydrophobicContact CG-CE2 3.98Å; W460-F684 HydrophobicContact CH2-CE1 4.3Å; W460-F684 HydrophobicContact CH2-CE2 4.39Å; W460-F684 AromaticContact CH2-CZ 3.72Å; W460-F684 HydrophobicContact CH2-CZ 3.72Å; W460-F684 HydrophobicContact CZ2-CE1 4.35Å; W460-F684 HydrophobicContact CZ2-CE2 4.02Å; W460-F684 AromaticContact CZ2-CZ 3.42Å; W460-F684 HydrophobicContact CZ2-CZ 3.42Å; W460-F684 VanDerWaalsContact CZ2-CZ 3.42Å; W460-F684 HydrophobicContact CZ3-CE2 4.4Å; W460-F684 HydrophobicContact CZ3-CZ 4.07Å; W460-F684 AromaticContact NE1-CE2 3.83Å; W460-F684 AromaticContact NE1-CZ 3.99Å
461L96.4Very high94.4Very high10 Ų1027.3 Ų27.35%0.05214%0.139CC..Hα-helixtrans-55.3-42.6173.5177.857.3000112.1F457 I463 V464 T465 E683 F684 C687F457-L461 PolarHBondContact O-N 3.2Å; L461-I463 VanDerWaalsContact C-N 3.32Å; L461-I463 PolarHBondContact O-N 2.88Å; L461-V464 PolarHBondContact O-N 2.8Å; L461-T465 PolarHBondContact O-N 2.89Å; L461-T465 PolarHBondContact O-OG1 3.39Å; L461-E683 HydrophobicContact CD2-CB 3.9Å; L461-F684 HydrophobicContact CB-CD2 4.28Å; L461-F684 HydrophobicContact CD1-CB 3.96Å; L461-F684 HydrophobicContact CD1-CD2 4.03Å; L461-F684 HydrophobicContact CD1-CG 4.45Å; L461-C687 HydrophobicContact CD1-CB 4.43Å
462Q96.7Very high95.1Very high50 Ų5027.6 Ų27.623%0.23414%0.141CC..Hα-helixtrans-59.3-40.5176-76.1174.322.600112.5R458 L459 W460 T465 L466R458-Q462 WeakPolarHBondContact O-CG 3.48Å; R458-Q462 PolarHBondContact O-N 3.2Å; L459-Q462 WeakPolarHBondContact O-CB 3.39Å; L459-Q462 PolarHBondContact O-N 3.34Å; W460-Q462 VanDerWaalsContact C-N 3.29Å; W460-Q462 PolarHBondContact O-N 3.31Å; Q462-T465 PolarHBondContact O-N 3.34Å; Q462-L466 WeakPolarHBondContact O-CG 3.47Å; Q462-L466 PolarHBondContact O-N 3.04Å
463I97.4Very high95.4Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-65.6-44177.2-60.4163.1000110.5V384 C438 V442 L459 W460 L461 T465 L466 Y467V384-I463 HydrophobicContact CG1-CD1 3.57Å; V384-I463 HydrophobicContact CG1-CG1 4.24Å; C438-I463 HydrophobicContact CB-CD1 4.13Å; C438-I463 HydrophobicContact CB-CG2 4.29Å; V442-I463 HydrophobicContact CG2-CD1 3.87Å; L459-I463 PolarHBondContact O-N 3.38Å; W460-I463 WeakPolarHBondContact O-CB 3.35Å; W460-I463 PolarHBondContact O-N 3.46Å; W460-I463 VanDerWaalsContact O-N 3.07Å; L461-I463 VanDerWaalsContact C-N 3.32Å; L461-I463 PolarHBondContact O-N 2.88Å; I463-T465 VanDerWaalsContact C-N 3.33Å; I463-T465 PolarHBondContact O-N 3.4Å; I463-L466 PolarHBondContact O-N 2.99Å; I463-Y467 PolarHBondContact O-N 2.74Å
464V98Very high95.7Very high0 Ų031.6 Ų31.60%017%0.171CC..Hα-helixtrans-62.3-40.8177176.70000111.1W460 L461 Y467 L468 F627 F684 C687 L688 I691W460-V464 PolarHBondContact O-N 3.33Å; L461-V464 PolarHBondContact O-N 2.8Å; V464-Y467 WeakPolarHBondContact O-CB 3.44Å; V464-Y467 PolarHBondContact O-N 2.81Å; V464-L468 PolarHBondContact O-N 3.23Å; V464-F627 HydrophobicContact CG1-CE1 4.19Å; V464-F627 HydrophobicContact CG2-CE1 4.28Å; V464-F627 HydrophobicContact CG2-CZ 4.06Å; V464-F684 HydrophobicContact CB-CE2 4.33Å; V464-F684 HydrophobicContact CG2-CD2 4.34Å; V464-F684 HydrophobicContact CG2-CE2 3.56Å; V464-F684 HydrophobicContact CG2-CZ 4.13Å; V464-C687 HydrophobicContact CG1-CB 4.23Å; V464-L688 HydrophobicContact CG1-CD2 3.83Å; V464-I691 HydrophobicContact CG1-CD1 3.72Å
465T98.2Very high95.8Very high66 Ų6631.1 Ų31.141%0.40516%0.164SC..Hα-helixtrans-65.4-39.6175.8-59.30000112.5L461 Q462 I463 Y467 L468 Q469L461-T465 PolarHBondContact O-N 2.89Å; L461-T465 PolarHBondContact O-OG1 3.39Å; Q462-T465 PolarHBondContact O-N 3.34Å; I463-T465 VanDerWaalsContact C-N 3.33Å; I463-T465 PolarHBondContact O-N 3.4Å; T465-Y467 VanDerWaalsContact C-N 3.31Å; T465-Y467 PolarHBondContact O-N 2.97Å; T465-L468 PolarHBondContact O-N 2.91Å; T465-Q469 WeakPolarHBondContact O-CB 3.43Å; T465-Q469 PolarHBondContact O-N 3.48Å
466L98.4Very high95.8Very high15 Ų1529.1 Ų29.18%0.07916%0.163CC..Hα-helixtrans-63.2-39.2172.7-70.8176.7000111.7V385 A388 R389 L392 L393 Q462 I463 Q469 S470V385-L466 HydrophobicContact CG1-CD1 4.04Å; A388-L466 HydrophobicContact CB-CD1 4.04Å; R389-L466 HydrophobicContact CB-CD1 4.43Å; L392-L466 HydrophobicContact CD1-CB 4.11Å; L393-L466 HydrophobicContact CD1-CB 4.22Å; L393-L466 HydrophobicContact CD1-CD2 3.82Å; L393-L466 HydrophobicContact CD1-CG 4.5Å; Q462-L466 WeakPolarHBondContact O-CG 3.47Å; Q462-L466 PolarHBondContact O-N 3.04Å; I463-L466 PolarHBondContact O-N 2.99Å; L466-Q469 PolarHBondContact O-N 3.36Å; L466-S470 WeakPolarHBondContact O-CB 3.28Å; L466-S470 PolarHBondContact O-N 3.3Å
467Y98.5Very high95.6Very high0 Ų032.7 Ų32.70%019%0.188CC..Hα-helixtrans-63.3-46.9175-175.1-94.9000111.5L392 W399 T432 A435 I463 V464 T465 Q469 S470 A471 V624 F627 I691L392-Y467 HydrophobicContact CD2-CD2 3.99Å; W399-Y467 AromaticContact CH2-CE2 3.74Å; W399-Y467 HydrophobicContact CH2-CE2 3.74Å; W399-Y467 AromaticContact CH2-CZ 3.7Å; W399-Y467 HydrophobicContact CZ2-CE2 4.22Å; T432-Y467 HydrophobicContact CG2-CE2 4.17Å; T432-Y467 WeakPolarHBondContact CG2-OH 3.48Å; T432-Y467 WeakPolarHBondContact OG1-CE2 3.38Å; T432-Y467 PolarHBondContact OG1-OH 2.94Å; A435-Y467 HydrophobicContact CB-CD2 3.74Å; A435-Y467 HydrophobicContact CB-CE2 4.31Å; I463-Y467 PolarHBondContact O-N 2.74Å; V464-Y467 WeakPolarHBondContact O-CB 3.44Å; V464-Y467 PolarHBondContact O-N 2.81Å; T465-Y467 VanDerWaalsContact C-N 3.31Å; T465-Y467 PolarHBondContact O-N 2.97Å; Y467-Q469 VanDerWaalsContact C-N 3.33Å; Y467-Q469 PolarHBondContact O-N 3.39Å; Y467-S470 PolarHBondContact O-N 2.79Å; Y467-A471 HydrophobicContact CE1-CB 4.47Å; Y467-A471 VanDerWaalsContact O-CB 3.28Å; Y467-A471 WeakPolarHBondContact O-CB 3.36Å; Y467-A471 PolarHBondContact O-N 2.89Å; Y467-V624 HydrophobicContact CE1-CG2 4.49Å; Y467-F627 AromaticContact CD1-CD1 3.62Å; Y467-F627 HydrophobicContact CD1-CD1 3.62Å; Y467-F627 HydrophobicContact CD1-CD2 4.18Å; Y467-F627 AromaticContact CD1-CE1 3.65Å; Y467-F627 HydrophobicContact CD1-CE1 3.65Å; Y467-F627 HydrophobicContact CD1-CE2 4.21Å; Y467-F627 AromaticContact CD1-CG 3.9Å; Y467-F627 HydrophobicContact CD1-CG 3.9Å; Y467-F627 AromaticContact CD1-CZ 3.95Å; Y467-F627 HydrophobicContact CD1-CZ 3.95Å; Y467-F627 HydrophobicContact CD2-CD2 4.22Å; Y467-F627 HydrophobicContact CD2-CE2 4.14Å; Y467-F627 HydrophobicContact CE1-CB 3.86Å; Y467-F627 AromaticContact CE1-CD1 3.58Å; Y467-F627 HydrophobicContact CE1-CD1 3.58Å; Y467-F627 HydrophobicContact CE1-CD2 4.02Å; Y467-F627 HydrophobicContact CE1-CE1 4.11Å; Y467-F627 AromaticContact CE1-CG 3.53Å; Y467-F627 HydrophobicContact CE1-CG 3.53Å; Y467-F627 HydrophobicContact CE2-CD2 4.08Å; Y467-F627 HydrophobicContact CE2-CE2 4.46Å; Y467-F627 HydrophobicContact CE2-CG 4.36Å; Y467-F627 HydrophobicContact CG-CD1 4.36Å; Y467-F627 HydrophobicContact CG-CD2 4.26Å; Y467-F627 HydrophobicContact CG-CE1 4.1Å; Y467-F627 HydrophobicContact CG-CE2 4Å; Y467-F627 HydrophobicContact CG-CG 4.44Å; Y467-F627 AromaticContact CG-CZ 3.91Å; Y467-F627 HydrophobicContact CG-CZ 3.91Å; Y467-F627 AromaticContact CZ-CD2 3.95Å; Y467-F627 AromaticContact CZ-CG 3.77Å; Y467-I691 HydrophobicContact CD1-CD1 3.97Å; Y467-I691 HydrophobicContact CD1-CG2 4.29Å; Y467-I691 HydrophobicContact CE1-CG2 3.97Å
468L98.5Very high95.3Very high29 Ų2933.2 Ų33.215%0.15219%0.191CC..Hα-helixtrans-57.7-44.8174.417458.4000111.8V464 T465 S470 A471 S472 C687 N690 I691 L694V464-L468 PolarHBondContact O-N 3.23Å; T465-L468 PolarHBondContact O-N 2.91Å; L468-S470 PolarHBondContact O-N 3.23Å; L468-A471 PolarHBondContact O-N 3.49Å; L468-S472 WeakPolarHBondContact CD1-OG 3.44Å; L468-S472 VanDerWaalsContact O-CB 3.25Å; L468-S472 WeakPolarHBondContact O-CB 3.26Å; L468-S472 PolarHBondContact O-N 3.07Å; L468-S472 PolarHBondContact O-OG 3.03Å; L468-C687 VanDerWaalsContact CD2-SG 3.6Å; L468-N690 HydrophobicContact CD1-CB 4.1Å; L468-N690 HydrophobicContact CD2-CB 3.89Å; L468-I691 HydrophobicContact CB-CD1 4.01Å; L468-I691 HydrophobicContact CB-CG1 3.7Å; L468-I691 HydrophobicContact CD1-CG1 3.65Å; L468-I691 HydrophobicContact CG-CG1 4.14Å; L468-L694 HydrophobicContact CD1-CD1 3.97Å
469Q97.8Very high94.9Very high104 Ų10427.5 Ų27.549%0.48617%0.17SC..Hα-helixtrans-60.6-46.5178.6-175.9178.33.600111.5L393 T465 L466 Y467 A473L393-Q469 HydrophobicContact CD2-CG 4.13Å; T465-Q469 WeakPolarHBondContact O-CB 3.43Å; T465-Q469 PolarHBondContact O-N 3.48Å; L466-Q469 PolarHBondContact O-N 3.36Å; Y467-Q469 VanDerWaalsContact C-N 3.33Å; Y467-Q469 PolarHBondContact O-N 3.39Å; Q469-A473 PolarHBondContact O-N 3.2Å; Q469-A473 VanDerWaalsContact O-N 3.15Å
470S97.6Very high94.1Very high8 Ų830.1 Ų30.16%0.05619%0.188CC..Hα-helixtrans-64.9-46.7177.6-177.50000112L392 W399 L466 Y467 L468 S472 A473 E474L392-S470 VanDerWaalsContact O-CB 3.31Å; L392-S470 WeakPolarHBondContact O-CB 3.45Å; L392-S470 PolarHBondContact O-OG 2.89Å; W399-S470 PolarHBondContact NE1-OG 3.23Å; L466-S470 WeakPolarHBondContact O-CB 3.28Å; L466-S470 PolarHBondContact O-N 3.3Å; Y467-S470 PolarHBondContact O-N 2.79Å; L468-S470 PolarHBondContact O-N 3.23Å; S470-S472 VanDerWaalsContact C-N 3.34Å; S470-S472 PolarHBondContact O-N 3.33Å; S470-A473 PolarHBondContact O-N 3.37Å; S470-E474 PolarHBondContact O-N 3.04Å
471A97.6Very high92.3Very high0 Ų032.3 Ų32.30%020%0.203CC..Hα-helixtrans-64.4-38.718000000112W399 Y467 L468 E474 Y475 F620 V624 L694W399-A471 HydrophobicContact CH2-CB 3.88Å; W399-A471 HydrophobicContact CZ2-CB 3.75Å; Y467-A471 HydrophobicContact CE1-CB 4.47Å; Y467-A471 VanDerWaalsContact O-CB 3.28Å; Y467-A471 WeakPolarHBondContact O-CB 3.36Å; Y467-A471 PolarHBondContact O-N 2.89Å; L468-A471 PolarHBondContact O-N 3.49Å; A471-E474 PolarHBondContact O-N 2.87Å; A471-Y475 WeakPolarHBondContact O-CB 3.31Å; A471-Y475 PolarHBondContact O-N 3.4Å; A471-F620 HydrophobicContact CB-CE2 4.01Å; A471-F620 HydrophobicContact CB-CZ 4.08Å; A471-F620 WeakPolarHBondContact O-CE2 3.41Å; A471-F620 VanDerWaalsContact O-CZ 3.3Å; A471-F620 WeakPolarHBondContact O-CZ 3.4Å; A471-V624 HydrophobicContact CB-CG2 4.36Å; A471-L694 HydrophobicContact CB-CD1 3.96Å
472S96Very high90.1Very high51 Ų5136.3 Ų36.336%0.35723%0.23SC..Hα-helixtrans-64.8-42.8176.7-59.60000111.9L468 S470 G476L468-S472 WeakPolarHBondContact CD1-OG 3.44Å; L468-S472 VanDerWaalsContact O-CB 3.25Å; L468-S472 WeakPolarHBondContact O-CB 3.26Å; L468-S472 PolarHBondContact O-N 3.07Å; L468-S472 PolarHBondContact O-OG 3.03Å; S470-S472 VanDerWaalsContact C-N 3.34Å; S470-S472 PolarHBondContact O-N 3.33Å; S472-G476 PolarHBondContact O-N 3.2Å; S472-G476 VanDerWaalsContact O-N 3.09Å
473A93.8Very high87.4Confident69 Ų6939.7 Ų39.757%0.5726%0.256SS*.Hα-helixtrans-64.3-43.3176.700000111.5Q469 S470 G476 S477Q469-A473 PolarHBondContact O-N 3.2Å; Q469-A473 VanDerWaalsContact O-N 3.15Å; S470-A473 PolarHBondContact O-N 3.37Å; A473-G476 PolarHBondContact O-N 2.85Å; A473-S477 PolarHBondContact O-N 3.48Å
474E93.9Very high84.7Confident31 Ų3147.8 Ų47.815%0.14530%0.298CS..Hα-helixtrans-66.5-43.7177.6-173.964.6-164.200112.3W399 S470 A471 G476 S477 L478 F620W399-E474 HydrophobicContact CB-CB 4.27Å; W399-E474 HydrophobicContact CB-CG 3.4Å; W399-E474 VanDerWaalsContact CB-CG 3.4Å; W399-E474 VanDerWaalsContact CD1-CB 3.44Å; W399-E474 HydrophobicContact CD2-CB 4.06Å; W399-E474 HydrophobicContact CD2-CG 3.95Å; W399-E474 HydrophobicContact CG-CB 3.7Å; W399-E474 HydrophobicContact CG-CG 3.37Å; S470-E474 PolarHBondContact O-N 3.04Å; A471-E474 PolarHBondContact O-N 2.87Å; E474-G476 PolarHBondContact O-N 3.38Å; E474-S477 WeakPolarHBondContact O-CA 3.44Å; E474-S477 WeakPolarHBondContact O-CB 3.25Å; E474-S477 PolarHBondContact O-N 3.02Å; E474-L478 HydrophobicContact CG-CD1 3.79Å; E474-L478 HydrophobicContact CG-CG 4.05Å; E474-L478 WeakPolarHBondContact O-CG 3.43Å; E474-L478 PolarHBondContact O-N 2.81Å; E474-L478 VanDerWaalsContact OE1-CG 3.28Å; E474-L478 WeakPolarHBondContact OE1-CG 3.35Å; E474-F620 HydrophobicContact CB-CE2 4.22Å; E474-F620 HydrophobicContact CG-CD2 4.31Å; E474-F620 HydrophobicContact CG-CE2 4.41Å
475Y93.1Very high81.7Confident18 Ų1856.5 Ų56.57%0.07134%0.339CS..Hα-helixtrans-56.4-42174.8179.6-98.9000111.2A471 L478 S479 F620 L694 T697 C698 M701A471-Y475 WeakPolarHBondContact O-CB 3.31Å; A471-Y475 PolarHBondContact O-N 3.4Å; Y475-L478 PolarHBondContact O-N 3.17Å; Y475-S479 WeakPolarHBondContact O-CB 3.35Å; Y475-S479 PolarHBondContact O-N 3.36Å; Y475-S479 PolarHBondContact O-OG 3.26Å; Y475-F620 AromaticContact CD2-CE1 3.9Å; Y475-F620 HydrophobicContact CD2-CE1 3.9Å; Y475-F620 HydrophobicContact CG-CE1 4.41Å; Y475-L694 HydrophobicContact CD1-CD2 4.17Å; Y475-L694 HydrophobicContact CG-CD2 4.23Å; Y475-T697 HydrophobicContact CE1-CG2 4.47Å; Y475-T697 VanDerWaalsContact OH-CG2 3.23Å; Y475-T697 WeakPolarHBondContact OH-CG2 3.45Å; Y475-C698 HydrophobicContact CD2-CB 4.16Å; Y475-C698 HydrophobicContact CE2-CB 3.78Å; Y475-M701 HydrophobicContact CE2-CE 4.22Å
476G89.9Confident78.5Confident31 Ų3158 Ų5832%0.3235%0.352SS..Hα-helixtrans-60.6-44173.300000113.1S472 A473 E474 S479 C480S472-G476 PolarHBondContact O-N 3.2Å; S472-G476 VanDerWaalsContact O-N 3.09Å; A473-G476 PolarHBondContact O-N 2.85Å; E474-G476 PolarHBondContact O-N 3.38Å; G476-S479 PolarHBondContact O-OG 2.9Å; G476-C480 WeakPolarHBondContact O-CB 3.49Å; G476-C480 PolarHBondContact O-N 3.21Å; G476-C480 VanDerWaalsContact O-N 3.13Å
477S88.7Confident75.2Confident75 Ų7563.1 Ų63.152%0.52439%0.388SS..Hα-helixtrans-62.7-46.8176.8-176.80000112.5A473 E474 S479A473-S477 PolarHBondContact O-N 3.48Å; E474-S477 WeakPolarHBondContact O-CA 3.44Å; E474-S477 WeakPolarHBondContact O-CB 3.25Å; E474-S477 PolarHBondContact O-N 3.02Å; S477-S479 VanDerWaalsContact C-N 3.35Å; S477-S479 PolarHBondContact O-N 2.67Å
478L87.4Confident71.7Confident12 Ų1268 Ų686%0.06342%0.422CS..Hα-helixtrans-78.1-13.9-178.3-64.9177.4000114E474 Y475 R613 L616 L617 F620E474-L478 HydrophobicContact CG-CD1 3.79Å; E474-L478 HydrophobicContact CG-CG 4.05Å; E474-L478 WeakPolarHBondContact O-CG 3.43Å; E474-L478 PolarHBondContact O-N 2.81Å; E474-L478 VanDerWaalsContact OE1-CG 3.28Å; E474-L478 WeakPolarHBondContact OE1-CG 3.35Å; Y475-L478 PolarHBondContact O-N 3.17Å; L478-R613 HydrophobicContact CD2-CG 4.48Å; L478-R613 PolarHBondContact O-NE 3.11Å; L478-R613 PolarHBondContact O-NH2 3.48Å; L478-L616 HydrophobicContact CD1-CB 4.32Å; L478-L616 HydrophobicContact CD2-CB 4.31Å; L478-L616 HydrophobicContact CD2-CD1 4.48Å; L478-L617 HydrophobicContact CB-CD2 3.49Å; L478-L617 VanDerWaalsContact CB-CD2 3.49Å; L478-L617 HydrophobicContact CB-CG 4.03Å; L478-L617 HydrophobicContact CD1-CD2 4.05Å; L478-L617 HydrophobicContact CD1-CG 4.38Å; L478-L617 HydrophobicContact CG-CD2 4.4Å; L478-F620 HydrophobicContact CD1-CB 4.47Å
479S84.7Confident68.7Low5 Ų572.2 Ų72.24%0.03545%0.451CS..Hα-helixtrans-101.8-20178.565.40000114.1Y475 G476 S477 L607 R613Y475-S479 WeakPolarHBondContact O-CB 3.35Å; Y475-S479 PolarHBondContact O-N 3.36Å; Y475-S479 PolarHBondContact O-OG 3.26Å; G476-S479 PolarHBondContact O-OG 2.9Å; S477-S479 VanDerWaalsContact C-N 3.35Å; S477-S479 PolarHBondContact O-N 2.67Å; S479-L607 WeakPolarHBondContact O-CD2 3.27Å; S479-R613 VanDerWaalsContact C-NH2 3.34Å
480C77Confident65.5Low59 Ų5973.4 Ų73.440%0.39947%0.465SS..SBendtrans-103.6153.3177.3-700000112.7G476 R613G476-C480 WeakPolarHBondContact O-CB 3.49Å; G476-C480 PolarHBondContact O-N 3.21Å; G476-C480 VanDerWaalsContact O-N 3.13Å; C480-R613 PolarHBondContact O-NH1 3.31Å; C480-R613 PolarHBondContact O-NH2 3.11Å
481S58.3Low62.2Low45 Ų4578.6 Ų78.632%0.31550%0.501SS..PPolyproline II helixtrans-67.5144.4166.745.90000110
482P51.8Low59.1Low95 Ų9583.6 Ų83.662%0.61754%0.537SS*.PPolyproline II helixtrans-53142.6165.623.7-31.5000108.3L484P482-L484 PolarHBondContact O-N 3.19Å
483P39.7Very low56Low120 Ų12084.9 Ų84.978%0.77956%0.557SS**PPolyproline II helixtrans-50.7122.7167.8-16.127.3000105.9E485P483-E485 VanDerWaalsContact C-N 3.33Å; P483-E485 PolarHBondContact O-N 3.03Å
484L39.4Very low52.9Low171 Ų17186.8 Ų86.890%0.89557%0.567SS**  trans-47.3109.3168.7-80.9156.7000105.2P482 S486P482-L484 PolarHBondContact O-N 3.19Å; L484-S486 VanDerWaalsContact C-N 3.32Å; L484-S486 PolarHBondContact O-N 3.29Å
485E36.1Very low49.9Very low183 Ų18391.6 Ų91.686%0.85560%0.601SS**  trans-50.3111.7169.4-80.4-175.616100103.9P483 C487P483-E485 VanDerWaalsContact C-N 3.33Å; P483-E485 PolarHBondContact O-N 3.03Å; E485-C487 PolarHBondContact O-N 3.42Å
486S31.3Very low46.9Very low98 Ų98102.5 Ų102.569%0.68564%0.642SS**  trans-47.6110.2176.249.60000105.4L484 S488L484-S486 VanDerWaalsContact C-N 3.32Å; L484-S486 PolarHBondContact O-N 3.29Å; S486-S488 VanDerWaalsContact C-N 3.29Å; S486-S488 PolarHBondContact O-N 2.93Å
487C28.2Very low44Very low122 Ų122105.8 Ų105.882%0.82467%0.666SS**  trans-49109163.5-70.30000104.6E485E485-C487 PolarHBondContact O-N 3.42Å
488S26.1Very low41Very low101 Ų101106 Ų10671%0.70668%0.68SS**  trans-46.1119.8-178.2-61.40000107.3S486 V490S486-S488 VanDerWaalsContact C-N 3.29Å; S486-S488 PolarHBondContact O-N 2.93Å; S488-V490 PolarHBondContact O-N 3.07Å
489P33.8Very low38.3Very low119 Ų119109.8 Ų109.877%0.77371%0.713SS**  trans-64.5111.3-17924.6-30000106.1S491P489-S491 PolarHBondContact O-N 3.47Å
490V31.3Very low35.5Very low128 Ų128119.1 Ų119.178%0.77675%0.753SS**  trans-52.1114.5170.9175.80000106.2S488 S492S488-V490 PolarHBondContact O-N 3.07Å; V490-S492 PolarHBondContact O-N 3.36Å
491S29.2Very low33Very low117 Ų117120.5 Ų120.582%0.81878%0.777SS**  trans-60.796.1179.253.70000109.6P489P489-S491 PolarHBondContact O-N 3.47Å
492S31.2Very low31.5Very low106 Ų106127.3 Ų127.374%0.74180%0.804SS**  trans-151114.5163.264.40000110.4V490V490-S492 PolarHBondContact O-N 3.36Å
493G31.7Very low30.2Very low77 Ų77131.7 Ų131.779%0.79482%0.816SS**  trans110.791.8157.900000116
494S29.4Very low29.7Very low110 Ų110128.8 Ų128.877%0.76981%0.808SS**  trans29.2124.6140.4-160.10000120.1R496S494-R496 PolarHBondContact O-N 3.48Å
495P30.2Very low29Very low132 Ų132128.9 Ų128.986%0.85780%0.801SS**  trans-76.1106.217931.6-31.3000110.9
496R30.8Very low28.7Very low246 Ų246129.3 Ų129.393%0.92880%0.801SS**  trans-102.7115.8168.2-162.2170.4-177.6175.6-0.1110.4S494S494-R496 PolarHBondContact O-N 3.48Å
497A28.2Very low28.8Very low101 Ų101129.8 Ų129.884%0.83581%0.81SS**  trans-56.3144.7-179.300000114.5
498G25.9Very low29.1Very low79 Ų79126.6 Ų126.681%0.81480%0.798SS**  trans106.793.6146.300000116.5
499A29.8Very low30Very low92 Ų92129.3 Ų129.376%0.7680%0.8SS**  trans-174.6117.3138.200000111.8
500K26.6Very low30.9Very low200 Ų200125 Ų12587%0.8778%0.776SS**  trans5397.8135.8-62.7-179.4176.1-179.80118.3Q502K500-Q502 PolarHBondContact O-N 3.18Å
501G24.6Very low32.7Very low88 Ų88126 Ų12691%0.90777%0.766SS**  trans23.970133.900000117.5Q503G501-Q503 PolarHBondContact O-N 3.18Å
502Q25.9Very low35.4Very low189 Ų189121.1 Ų121.188%0.88373%0.73SS**  trans-88.889.3162.7-154.2153.16.800107K500 G504K500-Q502 PolarHBondContact O-N 3.18Å; Q502-G504 PolarHBondContact O-N 3.28Å
503Q25Very low38.3Very low187 Ų187116.7 Ų116.787%0.87470%0.698SS**  trans-47.8111.2167.7-156.9165.41900107.2G501 K505G501-Q503 PolarHBondContact O-N 3.18Å; Q503-K505 PolarHBondContact O-N 3.45Å
504G27.9Very low41.2Very low59 Ų59113 Ų11361%0.60866%0.66SS**  trans-51.8115.9-172.800000110.2Q502 K506Q502-G504 PolarHBondContact O-N 3.28Å; G504-K506 PolarHBondContact O-N 2.92Å
505K25.9Very low44.1Very low173 Ų173108.1 Ų108.175%0.75263%0.626SS**  trans-59.784158.2-91.2-179.7167.7-175.70106.8Q503 E509Q503-K505 PolarHBondContact O-N 3.45Å; K505-E509 WeakPolarHBondContact CD-OE1 3.45Å
506K29.7Very low47Very low192 Ų192102.7 Ų102.784%0.83559%0.593SS**  trans-73.4129.9174.7-78.1-178.9172.4-177.80108.3G504 G508G504-K506 PolarHBondContact O-N 2.92Å; K506-G508 PolarHBondContact O-N 3.47Å; K506-G508 VanDerWaalsContact O-N 3.13Å
507A32.2Very low49.9Very low107 Ų10792.5 Ų92.588%0.88455%0.554SS**SBendtrans68.9-0.8156.900000120.4
508G36.5Very low52.9Low56 Ų5687.7 Ų87.758%0.57752%0.515SS*.  trans-87.6-25-178.100000116.6K506 G510K506-G508 PolarHBondContact O-N 3.47Å; K506-G508 VanDerWaalsContact O-N 3.13Å; G508-G510 VanDerWaalsContact C-N 3.26Å; G508-G510 PolarHBondContact O-N 2.64Å
509E44Very low56Low158 Ų15887 Ų8774%0.73850%0.495SS*.THydrogen-bonded Turntrans-80.917.3-158.4-72.7178.7167.200116.3K505K505-E509 WeakPolarHBondContact CD-OE1 3.45Å
510G52.5Low58.9Low27 Ų2785.6 Ų85.628%0.27847%0.474SS..THydrogen-bonded Turntrans-152.612178.100000115.7G508 K512G508-G510 VanDerWaalsContact C-N 3.26Å; G508-G510 PolarHBondContact O-N 2.64Å; G510-K512 PolarHBondContact O-N 3Å
511R68.6Low61.9Low150 Ų15078.6 Ų78.657%0.56646%0.459SS*.  trans-79.4121-177.1-153.6178.8-176.2177.7-3.7109.8A516 T519R511-A516 HydrophobicContact CG-CB 3.99Å; R511-T519 PolarHBondContact NH2-OG1 2.86Å; R511-T519 VanDerWaalsContact NH2-OG1 3.07Å
512K86.9Confident65.1Low14 Ų1479 Ų796%0.06144%0.44CS..  trans-75.8139.1179.6-50.6-52.3-165.1161.70110.3G510 S514 S515 A516 S604 E605 L606 L607G510-K512 PolarHBondContact O-N 3Å; K512-S514 PolarHBondContact O-N 2.89Å; K512-S515 PolarHBondContact O-N 2.89Å; K512-A516 VanDerWaalsContact O-CB 3.32Å; K512-A516 WeakPolarHBondContact O-CB 3.27Å; K512-A516 PolarHBondContact O-N 3.43Å; K512-S604 PolarHBondContact NZ-O 3.31Å; K512-E605 CarbonylContact C-O 3.58Å; K512-E605 VanDerWaalsContact CA-O 3.27Å; K512-E605 WeakPolarHBondContact CA-O 3.36Å; K512-L606 WeakPolarHBondContact CD-O 3.41Å; K512-L606 WeakPolarHBondContact CE-O 3.26Å; K512-L606 PolarHBondContact NZ-O 2.88Å; K512-L607 HydrophobicContact CB-CD2 4.09Å; K512-L607 HydrophobicContact CB-CG 4.21Å; K512-L607 HydrophobicContact CG-CD2 3.8Å; K512-L607 HydrophobicContact CG-CG 4.32Å
513I90.9Very high68.2Low13 Ų1370.7 Ų70.77%0.06740%0.402CS..Hα-helixtrans-58.7-51.2-174-68.9166.7000110.8S515 A516 W517 L595 I601 E605 V708I513-S515 PolarHBondContact O-N 3.04Å; I513-A516 PolarHBondContact O-N 2.83Å; I513-W517 HydrophobicContact CG2-CD2 4.14Å; I513-W517 HydrophobicContact CG2-CG 4.3Å; I513-W517 HydrophobicContact CG2-CZ2 4.39Å; I513-W517 WeakPolarHBondContact O-CB 3.24Å; I513-W517 PolarHBondContact O-N 3.3Å; I513-L595 HydrophobicContact CD1-CD2 4.19Å; I513-L595 HydrophobicContact CG2-CD1 4.26Å; I513-L595 HydrophobicContact CG2-CD2 4.22Å; I513-I601 HydrophobicContact CD1-CD1 4.2Å; I513-I601 HydrophobicContact CD1-CG1 4.26Å; I513-I601 HydrophobicContact CD1-CG2 3.63Å; I513-E605 HydrophobicContact CD1-CB 3.79Å; I513-E605 HydrophobicContact CG1-CB 4.02Å; I513-E605 PolarHBondContact N-O 2.82Å; I513-V708 HydrophobicContact CB-CG1 4.36Å; I513-V708 HydrophobicContact CB-CG2 4.23Å; I513-V708 HydrophobicContact CD1-CG1 4.3Å; I513-V708 HydrophobicContact CG2-CG1 4.46Å; I513-V708 HydrophobicContact CG2-CG2 3.7Å
514S92.6Very high71.4Confident0 Ų062.5 Ų62.50%037%0.365CS..Hα-helixtrans-58.5-45.6-179.755.30000112.9K512 W517 A518 L607 E705K512-S514 PolarHBondContact O-N 2.89Å; S514-W517 PolarHBondContact O-N 2.79Å; S514-A518 VanDerWaalsContact O-CB 3.24Å; S514-A518 WeakPolarHBondContact O-CB 3.44Å; S514-A518 PolarHBondContact O-N 3.22Å; S514-L607 WeakPolarHBondContact OG-CD1 3.33Å; S514-E705 WeakPolarHBondContact CB-OE2 3.38Å; S514-E705 PolarHBondContact OG-OE2 3.49Å
515S90.9Very high74.6Confident7 Ų767.3 Ų67.35%0.04937%0.365CS..Hα-helixtrans-64.6-44.5176.81740000111.8K512 I513 W517 T519K512-S515 PolarHBondContact O-N 2.89Å; I513-S515 PolarHBondContact O-N 3.04Å; S515-W517 VanDerWaalsContact C-N 3.33Å; S515-W517 PolarHBondContact O-N 2.94Å; S515-T519 PolarHBondContact O-N 3.11Å; S515-T519 VanDerWaalsContact O-N 3.15Å; S515-T519 PolarHBondContact O-OG1 2.91Å
516A90.7Very high77.8Confident19 Ų1961.9 Ų61.916%0.15734%0.344CS..Hα-helixtrans-59.9-44.6176.900000111.5R511 K512 I513 T519 D520R511-A516 HydrophobicContact CG-CB 3.99Å; K512-A516 VanDerWaalsContact O-CB 3.32Å; K512-A516 WeakPolarHBondContact O-CB 3.27Å; K512-A516 PolarHBondContact O-N 3.43Å; I513-A516 PolarHBondContact O-N 2.83Å; A516-T519 CarbonylContact O-C 3.58Å; A516-T519 PolarHBondContact O-N 3.36Å; A516-T519 PolarHBondContact O-OG1 3.02Å; A516-T519 VanDerWaalsContact O-OG1 3.07Å; A516-D520 WeakPolarHBondContact O-CB 3.17Å; A516-D520 PolarHBondContact O-N 3.33Å
517W91.7Very high80.8Confident31 Ų3152.8 Ų52.812%0.11730%0.304CS..Hα-helixtrans-75.1-36.2-178.1-76.325.3000113.2I513 S514 S515 T519 D520 I523 L591 N594 L595 L704I513-W517 HydrophobicContact CG2-CD2 4.14Å; I513-W517 HydrophobicContact CG2-CG 4.3Å; I513-W517 HydrophobicContact CG2-CZ2 4.39Å; I513-W517 WeakPolarHBondContact O-CB 3.24Å; I513-W517 PolarHBondContact O-N 3.3Å; S514-W517 PolarHBondContact O-N 2.79Å; S515-W517 VanDerWaalsContact C-N 3.33Å; S515-W517 PolarHBondContact O-N 2.94Å; W517-T519 PolarHBondContact O-N 3.32Å; W517-D520 PolarHBondContact O-N 2.94Å; W517-I523 HydrophobicContact CB-CD1 4.36Å; W517-I523 HydrophobicContact CB-CG2 4.21Å; W517-I523 HydrophobicContact CD2-CD1 3.75Å; W517-I523 HydrophobicContact CD2-CG2 4.31Å; W517-I523 HydrophobicContact CE3-CD1 4.3Å; W517-I523 HydrophobicContact CE3-CG2 4.01Å; W517-I523 HydrophobicContact CG-CD1 3.77Å; W517-I523 HydrophobicContact CG-CG2 4.44Å; W517-L591 HydrophobicContact CE3-CD2 4.22Å; W517-L591 HydrophobicContact CZ3-CD2 3.59Å; W517-N594 HydrophobicContact CH2-CB 3.3Å; W517-N594 HydrophobicContact CZ2-CB 3.42Å; W517-N594 VanDerWaalsContact CZ2-CB 3.42Å; W517-N594 HydrophobicContact CZ3-CB 4.36Å; W517-L595 HydrophobicContact CH2-CB 4.34Å; W517-L595 HydrophobicContact CH2-CD1 3.4Å; W517-L595 VanDerWaalsContact CH2-CD1 3.4Å; W517-L595 HydrophobicContact CH2-CD2 4.21Å; W517-L595 HydrophobicContact CH2-CG 3.34Å; W517-L595 HydrophobicContact CZ2-CD1 3.83Å; W517-L595 HydrophobicContact CZ2-CD2 3.86Å; W517-L595 HydrophobicContact CZ2-CG 3.5Å; W517-L595 VanDerWaalsContact CZ2-CG 3.5Å; W517-L595 HydrophobicContact CZ3-CD1 3.9Å; W517-L595 HydrophobicContact CZ3-CG 4.31Å; W517-L704 HydrophobicContact CB-CD1 3.66Å; W517-L704 HydrophobicContact CE3-CD2 3.93Å
518A92.1Very high83.8Confident1 Ų149.6 Ų49.61%0.00827%0.27CS..Hα-helixtrans-62.6-31.7173.700000111.6S514 S524 T697 L700 M701 L704S514-A518 VanDerWaalsContact O-CB 3.24Å; S514-A518 WeakPolarHBondContact O-CB 3.44Å; S514-A518 PolarHBondContact O-N 3.22Å; A518-S524 WeakPolarHBondContact O-CB 3.36Å; A518-T697 HydrophobicContact CB-CG2 3.93Å; A518-L700 HydrophobicContact CB-CB 4.42Å; A518-L700 HydrophobicContact CB-CD2 4.39Å; A518-L700 HydrophobicContact CB-CG 4.29Å; A518-M701 HydrophobicContact CB-CB 3.81Å; A518-L704 HydrophobicContact CB-CD1 4.17Å
519T89.8Confident86.5Confident64 Ų6450 Ų5039%0.39327%0.265SS..SBendtrans-92.2-7.6176.654.80000114.1R511 S515 A516 W517 G521 T697R511-T519 PolarHBondContact NH2-OG1 2.86Å; R511-T519 VanDerWaalsContact NH2-OG1 3.07Å; S515-T519 PolarHBondContact O-N 3.11Å; S515-T519 VanDerWaalsContact O-N 3.15Å; S515-T519 PolarHBondContact O-OG1 2.91Å; A516-T519 CarbonylContact O-C 3.58Å; A516-T519 PolarHBondContact O-N 3.36Å; A516-T519 PolarHBondContact O-OG1 3.02Å; A516-T519 VanDerWaalsContact O-OG1 3.07Å; W517-T519 PolarHBondContact O-N 3.32Å; T519-G521 PolarHBondContact O-N 3.38Å; T519-T697 HydrophobicContact CG2-CG2 3.87Å
520D91.3Very high88.9Confident63 Ų6342.9 Ų42.934%0.33723%0.231SC..  trans-74.6124.5177.1-175.2-76.2000110.1A516 W517 D522 I523 S524A516-D520 WeakPolarHBondContact O-CB 3.17Å; A516-D520 PolarHBondContact O-N 3.33Å; W517-D520 PolarHBondContact O-N 2.94Å; D520-D522 VanDerWaalsContact C-N 3.3Å; D520-D522 PolarHBondContact O-N 2.83Å; D520-D522 PolarHBondContact OD1-N 3.36Å; D520-I523 HydrophobicContact CB-CB 4.14Å; D520-I523 HydrophobicContact CB-CD1 4.26Å; D520-I523 HydrophobicContact CB-CG1 4.32Å; D520-I523 PolarHBondContact OD1-N 2.88Å; D520-S524 WeakPolarHBondContact O-CB 3.49Å; D520-S524 PolarHBondContact O-N 3.43Å; D520-S524 PolarHBondContact O-OG 3.44Å
521G89.2Confident90.7Very high53 Ų5344.4 Ų44.455%0.54624%0.237SC..Hα-helixtrans-63.8-31.6-173.200000114T519 R525T519-G521 PolarHBondContact O-N 3.38Å; G521-R525 WeakPolarHBondContact O-CB 3.22Å; G521-R525 PolarHBondContact O-N 3.21Å
522D92.6Very high91.7Very high96 Ų9637.7 Ų37.751%0.51321%0.212SC..Hα-helixtrans-86.9-47.5-178.6-79.4-40.7000111.6D520 R525 L526D520-D522 VanDerWaalsContact C-N 3.3Å; D520-D522 PolarHBondContact O-N 2.83Å; D520-D522 PolarHBondContact OD1-N 3.36Å; D522-R525 PolarHBondContact O-N 3.14Å; D522-R525 IonicContact OD1-CZ 3.13Å; D522-R525 IonicContact OD1-NE 2.62Å; D522-R525 IonicContact OD1-NH2 2.66Å; D522-R525 PolarHBondContact OD1-NH2 3.18Å; D522-L526 WeakPolarHBondContact O-CB 3.38Å; D522-L526 VanDerWaalsContact O-CG 3.31Å; D522-L526 WeakPolarHBondContact O-CG 3.39Å; D522-L526 PolarHBondContact O-N 3.1Å
523I91.3Very high92.1Very high15 Ų1538.3 Ų38.38%0.07721%0.214CC..Hα-helixtrans-63.5-47.4179-60.3174.6000110W517 D520 R525 L526 L527W517-I523 HydrophobicContact CB-CD1 4.36Å; W517-I523 HydrophobicContact CB-CG2 4.21Å; W517-I523 HydrophobicContact CD2-CD1 3.75Å; W517-I523 HydrophobicContact CD2-CG2 4.31Å; W517-I523 HydrophobicContact CE3-CD1 4.3Å; W517-I523 HydrophobicContact CE3-CG2 4.01Å; W517-I523 HydrophobicContact CG-CD1 3.77Å; W517-I523 HydrophobicContact CG-CG2 4.44Å; D520-I523 HydrophobicContact CB-CB 4.14Å; D520-I523 HydrophobicContact CB-CD1 4.26Å; D520-I523 HydrophobicContact CB-CG1 4.32Å; D520-I523 PolarHBondContact OD1-N 2.88Å; I523-R525 VanDerWaalsContact C-N 3.33Å; I523-R525 PolarHBondContact O-N 2.98Å; I523-L526 PolarHBondContact O-N 3.5Å; I523-L527 HydrophobicContact CG2-CD1 3.82Å; I523-L527 HydrophobicContact CG2-CG 4.38Å; I523-L527 WeakPolarHBondContact O-CG 3.5Å; I523-L527 PolarHBondContact O-N 2.97Å
524S92.1Very high92Very high15 Ų1542.8 Ų42.811%0.10524%0.235CC..Hα-helixtrans-63-39.6178.968.80000111.9A518 D520 L527 K528A518-S524 WeakPolarHBondContact O-CB 3.36Å; D520-S524 WeakPolarHBondContact O-CB 3.49Å; D520-S524 PolarHBondContact O-N 3.43Å; D520-S524 PolarHBondContact O-OG 3.44Å; S524-L527 PolarHBondContact O-N 3.22Å; S524-K528 WeakPolarHBondContact O-CB 3.42Å; S524-K528 WeakPolarHBondContact O-CG 3.34Å; S524-K528 PolarHBondContact O-N 3.18Å
525R94.2Very high91.7Very high160 Ų16045.7 Ų45.760%0.60426%0.255SS*.Hα-helixtrans-62.9-44.5175.8178.1176.962125.8-3.3112.1G521 D522 I523 K528 S529G521-R525 WeakPolarHBondContact O-CB 3.22Å; G521-R525 PolarHBondContact O-N 3.21Å; D522-R525 PolarHBondContact O-N 3.14Å; D522-R525 IonicContact OD1-CZ 3.13Å; D522-R525 IonicContact OD1-NE 2.62Å; D522-R525 IonicContact OD1-NH2 2.66Å; D522-R525 PolarHBondContact OD1-NH2 3.18Å; I523-R525 VanDerWaalsContact C-N 3.33Å; I523-R525 PolarHBondContact O-N 2.98Å; R525-K528 PolarHBondContact O-N 3.39Å; R525-S529 WeakPolarHBondContact O-CB 3.15Å; R525-S529 PolarHBondContact O-N 3.46Å
526L93.9Very high91.6Very high59 Ų5946.1 Ų46.131%0.30926%0.256SS..Hα-helixtrans-62.7-46.9177.7-72.2173.3000111.6D522 I523 S529 I590D522-L526 WeakPolarHBondContact O-CB 3.38Å; D522-L526 VanDerWaalsContact O-CG 3.31Å; D522-L526 WeakPolarHBondContact O-CG 3.39Å; D522-L526 PolarHBondContact O-N 3.1Å; I523-L526 PolarHBondContact O-N 3.5Å; L526-S529 PolarHBondContact O-N 3.35Å; L526-S529 PolarHBondContact O-OG 2.89Å; L526-I590 HydrophobicContact CB-CD1 3.92Å; L526-I590 HydrophobicContact CD1-CG1 4.5Å; L526-I590 HydrophobicContact CD1-CG2 4.43Å
527L93.6Very high91.2Very high1 Ų147.7 Ų47.71%0.00527%0.27CS..Hα-helixtrans-66.8-41.3177.7-65172.4000112.3I523 S524 S529 L530 E587 L591 L700 L704I523-L527 HydrophobicContact CG2-CD1 3.82Å; I523-L527 HydrophobicContact CG2-CG 4.38Å; I523-L527 WeakPolarHBondContact O-CG 3.5Å; I523-L527 PolarHBondContact O-N 2.97Å; S524-L527 PolarHBondContact O-N 3.22Å; L527-S529 PolarHBondContact O-N 2.89Å; L527-L530 HydrophobicContact CD2-CD1 4.21Å; L527-L530 WeakPolarHBondContact O-CB 3.33Å; L527-L530 WeakPolarHBondContact O-CG 3.36Å; L527-L530 PolarHBondContact O-N 2.88Å; L527-E587 HydrophobicContact CD2-CG 4.2Å; L527-L591 HydrophobicContact CD2-CD2 4.49Å; L527-L700 HydrophobicContact CB-CD1 4.04Å; L527-L700 HydrophobicContact CD1-CD1 4.01Å; L527-L704 HydrophobicContact CD1-CD1 4.22Å; L527-L704 HydrophobicContact CD1-CD2 3.62Å; L527-L704 HydrophobicContact CD1-CG 4.15Å
528K93.7Very high90.5Very high39 Ų3949.8 Ų49.817%0.1729%0.289CS..Hα-helixtrans-69.6-15.7176.9-68.4-176.2177.4179.10113.7S524 R525 L530 W533 L700S524-K528 WeakPolarHBondContact O-CB 3.42Å; S524-K528 WeakPolarHBondContact O-CG 3.34Å; S524-K528 PolarHBondContact O-N 3.18Å; R525-K528 PolarHBondContact O-N 3.39Å; K528-L530 VanDerWaalsContact C-N 3.31Å; K528-W533 HydrophobicContact CB-CD2 4.28Å; K528-W533 HydrophobicContact CB-CG 4.01Å; K528-W533 HydrophobicContact CD-CZ2 3.99Å; K528-W533 HydrophobicContact CG-CD2 3.79Å; K528-W533 HydrophobicContact CG-CE3 4.43Å; K528-W533 HydrophobicContact CG-CG 4.07Å; K528-W533 HydrophobicContact CG-CZ2 3.97Å; K528-L700 HydrophobicContact CG-CD2 4.43Å
529S93.3Very high89.3Confident65 Ų6555.8 Ų55.846%0.45531%0.311SS..THydrogen-bonded Turntrans-80.7-8.8173.675.50000114.1R525 L526 L527 Q534R525-S529 WeakPolarHBondContact O-CB 3.15Å; R525-S529 PolarHBondContact O-N 3.46Å; L526-S529 PolarHBondContact O-N 3.35Å; L526-S529 PolarHBondContact O-OG 2.89Å; L527-S529 PolarHBondContact O-N 2.89Å; S529-Q534 PolarHBondContact O-NE2 2.93Å
530L94.1Very high88.1Confident8 Ų855.2 Ų55.24%0.04231%0.307CS..SBendtrans-73.2146.1178.5-62.2175000111.3L527 K528 N532 W533 Q534 R583 R586 E587L527-L530 HydrophobicContact CD2-CD1 4.21Å; L527-L530 WeakPolarHBondContact O-CB 3.33Å; L527-L530 WeakPolarHBondContact O-CG 3.36Å; L527-L530 PolarHBondContact O-N 2.88Å; K528-L530 VanDerWaalsContact C-N 3.31Å; L530-N532 VanDerWaalsContact C-N 3.27Å; L530-N532 WeakPolarHBondContact CB-OD1 3.32Å; L530-N532 PolarHBondContact O-N 2.82Å; L530-W533 PolarHBondContact O-N 2.91Å; L530-Q534 PolarHBondContact O-N 3.44Å; L530-R583 HydrophobicContact CB-CG 4.19Å; L530-R583 HydrophobicContact CD2-CG 4.36Å; L530-R586 HydrophobicContact CD2-CB 4.16Å; L530-R586 HydrophobicContact CD2-CG 3.89Å; L530-E587 HydrophobicContact CD1-CB 3.78Å; L530-E587 HydrophobicContact CD1-CG 4.35Å
531P90.6Very high86.4Confident60 Ų6054.9 Ų54.939%0.3932%0.319SS..Hα-helixtrans-55.7-34.1-177-27.831.2000115.5Q534 S535P531-Q534 PolarHBondContact O-N 2.88Å; P531-S535 VanDerWaalsContact O-CB 3.24Å; P531-S535 WeakPolarHBondContact O-CB 3.09Å; P531-S535 PolarHBondContact O-N 2.96Å
532N90.9Very high84Confident8 Ų857.2 Ų57.24%0.04332%0.323CS..Hα-helixtrans-64.6-44.4178.355.7-18.8000112.8L530 Q534 S535 L536 R583 Y759 E762L530-N532 VanDerWaalsContact C-N 3.27Å; L530-N532 WeakPolarHBondContact CB-OD1 3.32Å; L530-N532 PolarHBondContact O-N 2.82Å; N532-Q534 VanDerWaalsContact C-N 3.35Å; N532-S535 PolarHBondContact O-N 2.88Å; N532-L536 WeakPolarHBondContact O-CB 3.47Å; N532-L536 PolarHBondContact O-N 3.42Å; N532-R583 VanDerWaalsContact CG-NH1 3.34Å; N532-R583 PolarHBondContact ND2-NH1 3.46Å; N532-R583 WeakPolarHBondContact OD1-CD 3.27Å; N532-Y759 HydrophobicContact CB-CD2 4.35Å; N532-Y759 WeakPolarHBondContact ND2-CE2 3.13Å; N532-E762 WeakPolarHBondContact CB-OE1 3.45Å; N532-E762 PolarHBondContact ND2-OE1 3.17Å
533W93.6Very high81.2Confident27 Ų2757.7 Ų57.710%0.10233%0.331CS..Hα-helixtrans-62.8-45.1175.3-179.5-86.9000110.8K528 L530 S535 L536 A537 S696 L699 L700 Y759K528-W533 HydrophobicContact CB-CD2 4.28Å; K528-W533 HydrophobicContact CB-CG 4.01Å; K528-W533 HydrophobicContact CD-CZ2 3.99Å; K528-W533 HydrophobicContact CG-CD2 3.79Å; K528-W533 HydrophobicContact CG-CE3 4.43Å; K528-W533 HydrophobicContact CG-CG 4.07Å; K528-W533 HydrophobicContact CG-CZ2 3.97Å; L530-W533 PolarHBondContact O-N 2.91Å; W533-S535 PolarHBondContact O-N 3.03Å; W533-L536 PolarHBondContact O-N 2.83Å; W533-A537 WeakPolarHBondContact O-CB 2.95Å; W533-A537 PolarHBondContact O-N 3.27Å; W533-S696 VanDerWaalsContact CH2-O 3.28Å; W533-S696 WeakPolarHBondContact CH2-O 3.5Å; W533-L699 HydrophobicContact CH2-CB 4.41Å; W533-L699 HydrophobicContact CH2-CD2 4.33Å; W533-L699 HydrophobicContact CZ3-CD2 4.23Å; W533-L699 HydrophobicContact CZ3-CG 4.26Å; W533-L700 HydrophobicContact CH2-CB 4.25Å; W533-L700 HydrophobicContact CZ3-CB 4.05Å; W533-L700 HydrophobicContact CZ3-CD1 4.45Å; W533-Y759 AromaticContact CE3-CE1 3.85Å; W533-Y759 HydrophobicContact CE3-CE1 3.85Å; W533-Y759 HydrophobicContact CE3-CE2 4.1Å; W533-Y759 AromaticContact CE3-CZ 3.47Å; W533-Y759 VanDerWaalsContact CE3-CZ 3.47Å; W533-Y759 VanDerWaalsContact CE3-OH 3.26Å; W533-Y759 AromaticContact CZ3-CE1 3.82Å; W533-Y759 HydrophobicContact CZ3-CE1 3.82Å; W533-Y759 AromaticContact CZ3-CZ 3.9Å
534Q90Very high78.3Confident108 Ų10861.3 Ų61.351%0.50536%0.364SS..Hα-helixtrans-62.9-42.4179-66.3179.4-3.800112S529 L530 P531 N532 A537 S538S529-Q534 PolarHBondContact O-NE2 2.93Å; L530-Q534 PolarHBondContact O-N 3.44Å; P531-Q534 PolarHBondContact O-N 2.88Å; N532-Q534 VanDerWaalsContact C-N 3.35Å; Q534-A537 PolarHBondContact O-N 3.1Å; Q534-S538 PolarHBondContact O-N 3.47Å
535S86.7Confident75.1Confident60 Ų6065.5 Ų65.542%0.4240%0.399SS..Hα-helixtrans-59.5-46.9174.6-177.30000110.9P531 N532 W533 A537 S538 W539P531-S535 VanDerWaalsContact O-CB 3.24Å; P531-S535 WeakPolarHBondContact O-CB 3.09Å; P531-S535 PolarHBondContact O-N 2.96Å; N532-S535 PolarHBondContact O-N 2.88Å; W533-S535 PolarHBondContact O-N 3.03Å; S535-A537 PolarHBondContact O-N 2.91Å; S535-S538 PolarHBondContact O-N 3.11Å; S535-S538 PolarHBondContact O-OG 2.8Å; S535-W539 PolarHBondContact O-N 2.88Å
536L87.6Confident71.9Confident16 Ų1663.6 Ų63.68%0.08441%0.405CS..Hα-helixtrans-63.1-43.6177.4-17063.1000112.4N532 W533 S538 W539 V540 L699 P755 K756 Y759N532-L536 WeakPolarHBondContact O-CB 3.47Å; N532-L536 PolarHBondContact O-N 3.42Å; W533-L536 PolarHBondContact O-N 2.83Å; L536-S538 VanDerWaalsContact C-N 3.29Å; L536-S538 PolarHBondContact O-N 3.16Å; L536-W539 PolarHBondContact O-N 2.86Å; L536-V540 WeakPolarHBondContact O-CG2 3.27Å; L536-V540 PolarHBondContact O-N 2.79Å; L536-L699 HydrophobicContact CD2-CD2 3.66Å; L536-P755 HydrophobicContact CD1-CB 3.94Å; L536-K756 HydrophobicContact CD1-CG 4.03Å; L536-K756 HydrophobicContact CD2-CG 4.26Å; L536-Y759 HydrophobicContact CD2-CD1 3.95Å; L536-Y759 HydrophobicContact CD2-CD2 4.4Å; L536-Y759 HydrophobicContact CD2-CG 3.79Å
537A83.1Confident68.6Low53 Ų5366.3 Ų66.344%0.43843%0.426SS..Hα-helixtrans-61.8-37.1175.800000112.2W533 Q534 S535 V540 G541W533-A537 WeakPolarHBondContact O-CB 2.95Å; W533-A537 PolarHBondContact O-N 3.27Å; Q534-A537 PolarHBondContact O-N 3.1Å; S535-A537 PolarHBondContact O-N 2.91Å; A537-V540 PolarHBondContact O-N 3.27Å; A537-G541 PolarHBondContact O-N 3.18Å; A537-G541 VanDerWaalsContact O-N 3.1Å
538S75.9Confident65.3Low74 Ų7474.2 Ų74.252%0.51747%0.465SS..Hα-helixtrans-68.1-35.9176.677.20000112.8Q534 S535 L536 G541 T542Q534-S538 PolarHBondContact O-N 3.47Å; S535-S538 PolarHBondContact O-N 3.11Å; S535-S538 PolarHBondContact O-OG 2.8Å; L536-S538 VanDerWaalsContact C-N 3.29Å; L536-S538 PolarHBondContact O-N 3.16Å; S538-G541 PolarHBondContact O-N 3Å; S538-T542 PolarHBondContact O-N 3.37Å; S538-T542 PolarHBondContact O-OG1 3.15Å
539W68.9Low62.1Low127 Ų12777.7 Ų77.748%0.48149%0.49SS..Hα-helixtrans-64.5-42.3176.6-178.981000111.6S535 L536 G541 T542 P755S535-W539 PolarHBondContact O-N 2.88Å; L536-W539 PolarHBondContact O-N 2.86Å; W539-G541 VanDerWaalsContact C-N 3.33Å; W539-G541 PolarHBondContact O-N 3.05Å; W539-T542 PolarHBondContact O-N 3.22Å; W539-P755 HydrophobicContact CD2-CG 4.49Å; W539-P755 HydrophobicContact CH2-CG 4.2Å; W539-P755 HydrophobicContact CZ2-CG 4.05Å; W539-P755 HydrophobicContact CZ3-CG 4.47Å
540V64Low58.9Low52 Ų5281.4 Ų81.432%0.31551%0.505SS..Hα-helixtrans-65.3-38175.5177.20000111.6L536 A537 T542 E625L536-V540 WeakPolarHBondContact O-CG2 3.27Å; L536-V540 PolarHBondContact O-N 2.79Å; A537-V540 PolarHBondContact O-N 3.27Å; V540-T542 PolarHBondContact O-N 3.2Å; V540-E625 HydrophobicContact CG1-CG 4.12Å; V540-E625 VanDerWaalsContact CG1-OE1 3.28Å; V540-E625 WeakPolarHBondContact CG1-OE1 3.41Å; V540-E625 WeakPolarHBondContact CG2-OE1 3.13Å
541G56.2Low55.5Low56 Ų5685.8 Ų85.858%0.57754%0.535SS*.THydrogen-bonded Turntrans-74.4-0-178.300000115.7A537 S538 W539 P543A537-G541 PolarHBondContact O-N 3.18Å; A537-G541 VanDerWaalsContact O-N 3.1Å; S538-G541 PolarHBondContact O-N 3Å; W539-G541 VanDerWaalsContact C-N 3.33Å; W539-G541 PolarHBondContact O-N 3.05Å; G541-P543 WeakPolarHBondContact O-CD 3.46Å
542T37.5Very low52.5Low102 Ų10290.3 Ų90.363%0.62656%0.556SS**  trans-91.695.7179.8-43.20000109.3S538 W539 V540 A544S538-T542 PolarHBondContact O-N 3.37Å; S538-T542 PolarHBondContact O-OG1 3.15Å; W539-T542 PolarHBondContact O-N 3.22Å; V540-T542 PolarHBondContact O-N 3.2Å; T542-A544 PolarHBondContact O-N 3.14Å
543P34.7Very low49.3Very low106 Ų10694.2 Ų94.269%0.68860%0.597SS**  trans-59.3127.7171.824.5-32.8000108.3G541 A545G541-P543 WeakPolarHBondContact O-CD 3.46Å; P543-A545 PolarHBondContact O-N 2.85Å; P543-A545 VanDerWaalsContact O-N 3.07Å
544A30.2Very low46.4Very low92 Ų9297.8 Ų97.876%0.7663%0.627SS**  trans-46.6121.7168.400000108.2T542 T546T542-A544 PolarHBondContact O-N 3.14Å; A544-T546 PolarHBondContact O-N 3.12Å; A544-T546 PolarHBondContact O-OG1 2.89Å
545A25.3Very low43.2Very low103 Ų10397 Ų9785%0.85165%0.648SS**  trans-43.399.4-168.600000113P543P543-A545 PolarHBondContact O-N 2.85Å; P543-A545 VanDerWaalsContact O-N 3.07Å
546T25.6Very low40.3Very low119 Ų11997.6 Ų97.673%0.7366%0.663SS**  trans-104.3116.5155.60.70000105.8A544 M548A544-T546 PolarHBondContact O-N 3.12Å; A544-T546 PolarHBondContact O-OG1 2.89Å; T546-M548 PolarHBondContact O-N 3.43Å
547P25.9Very low37.2Very low116 Ų116102.4 Ų102.475%0.75370%0.698SS**  trans-64.3112.9-173.815.3-17.5000109.3V549P547-V549 VanDerWaalsContact C-N 3.29Å; P547-V549 PolarHBondContact O-N 3.11Å
548M24.5Very low34.6Very low167 Ų167108 Ų10882%0.82372%0.719SS**  trans-62.895.3164.2-79.6-179.362.600107.9T546 N550T546-M548 PolarHBondContact O-N 3.43Å; M548-N550 PolarHBondContact O-N 2.92Å
549V26.4Very low32.2Very low113 Ų113112.4 Ų112.469%0.68573%0.732SS**  trans-68.3102164.1-175.80000106P547 C551P547-V549 VanDerWaalsContact C-N 3.29Å; P547-V549 PolarHBondContact O-N 3.11Å; V549-C551 VanDerWaalsContact C-N 3.34Å; V549-C551 VanDerWaalsContact CG1-SG 3.56Å; V549-C551 PolarHBondContact O-N 2.71Å; V549-C551 PolarHBondContact O-SG 3.15Å
550N25.5Very low30.1Very low143 Ų143114 Ų11477%0.76575%0.75SS**  trans-64.894.5170.5-87.3-11.5000108.7M548M548-N550 PolarHBondContact O-N 2.92Å
551C22.6Very low28.1Very low100 Ų100115 Ų11568%0.67677%0.77SS**  trans-9670.6171.5-510000109.4V549V549-C551 VanDerWaalsContact C-N 3.34Å; V549-C551 VanDerWaalsContact CG1-SG 3.56Å; V549-C551 PolarHBondContact O-N 2.71Å; V549-C551 PolarHBondContact O-SG 3.15Å
552D27Very low26.6Very low155 Ų155118.9 Ų118.983%0.82978%0.783SS**  trans-144.188.8165.3-86.5-36000109.8S554D552-S554 PolarHBondContact O-N 3.24Å
553G23.8Very low25.8Very low89 Ų89120.7 Ų120.792%0.91879%0.794SS**  trans-79.294.8162.400000109.3
554S32.3Very low25.4Very low103 Ų103123.3 Ų123.372%0.7280%0.801SS**  trans-148.6109.616049.50000109.6D552 G556D552-S554 PolarHBondContact O-N 3.24Å; S554-G556 PolarHBondContact O-N 3.02Å
555G23.4Very low25.2Very low92 Ų92127.1 Ų127.195%0.94881%0.808SS**  trans-67.3119.4175.300000110.5
556G26.2Very low25.1Very low71 Ų71125.7 Ų125.773%0.73280%0.804SS**  trans-152.388.9174.700000109.8S554 L558S554-G556 PolarHBondContact O-N 3.02Å; G556-L558 PolarHBondContact O-N 2.88Å
557S22.2Very low25.1Very low117 Ų117125.9 Ų125.982%0.81881%0.81SS**  trans-64.9106.7170.6155.20000110
558L29.4Very low25.4Very low170 Ų170124.7 Ų124.789%0.8980%0.804SS**  trans-136.1109.4159.8-91.8160.7000109.3G556G556-L558 PolarHBondContact O-N 2.88Å
559Q24.1Very low25.8Very low167 Ų167122.8 Ų122.878%0.7881%0.807SS**  trans-63.9130.7166.4-71.1167.9-10.200109.8
560N25.7Very low26.1Very low162 Ų162121.5 Ų121.587%0.86680%0.804SS**  trans142.3115.9140.6-75.4-23000112.4
561G21.9Very low26.7Very low72 Ų72119.7 Ų119.774%0.74280%0.799SS**  trans112.4114148.600000117
562T23.7Very low28Very low137 Ų137120.4 Ų120.484%0.8480%0.803SS**  trans86.281.5152.930000118.5L564T562-L564 PolarHBondContact O-N 3.19Å
563T22Very low29.5Very low140 Ų140121.4 Ų121.486%0.85980%0.8SS**  trans-58.2102.615733.50000113
564L25.6Very low31.8Very low161 Ų161124.8 Ų124.884%0.84380%0.795SS**  trans-152.237161.8-81.3-173.7000113.3T562T562-L564 PolarHBondContact O-N 3.19Å
565L25.3Very low34Very low172 Ų172122.3 Ų122.390%0.90177%0.772SS**  trans-133.173.9174.9-86.6155.2000109.9
566G24.2Very low37Very low74 Ų74120.4 Ų120.476%0.76374%0.744SS**  trans-94.181.5168.500000109.9S568G566-S568 PolarHBondContact O-N 3.41Å
567S26.1Very low39.7Very low122 Ų122120.1 Ų120.185%0.85374%0.735SS**  trans-77.770.2167.150.80000109.6
568S31.3Very low42.8Very low91 Ų91119.4 Ų119.464%0.63672%0.722SS**  trans-102.4114.7165.158.50000108.4G566 S570G566-S568 PolarHBondContact O-N 3.41Å; S568-S570 PolarHBondContact O-N 3.36Å
569S33.6Very low45.7Very low127 Ų127115.2 Ų115.289%0.88870%0.698SS**  trans-67.757.4173.957.50000112
570S33Very low48.7Very low87 Ų87110.2 Ų110.261%0.60868%0.676SS**PPolyproline II helixtrans-66.2138.2169.1550000108.6S568S568-S570 PolarHBondContact O-N 3.36Å
571P38Very low51.7Low104 Ų104107.6 Ų107.668%0.67565%0.654SS**PPolyproline II helixtrans-53.2148.3173.822.4-31.7000109.9K573P571-K573 PolarHBondContact O-N 3.06Å
572P48.3Very low55.1Low116 Ų116108 Ų10875%0.75365%0.646SS**PPolyproline II helixtrans-49.6120.1-179.420-31.4000108.3I574P572-I574 PolarHBondContact O-N 3.17Å
573K59.6Low58.4Low175 Ų175101.9 Ų101.976%0.76161%0.607SS**  trans-58.8105.1-176.9-167.5-176.1180-160.40106.8P571 E575 E579P571-K573 PolarHBondContact O-N 3.06Å; K573-E575 PolarHBondContact O-N 3.3Å; K573-E579 IonicContact NZ-OE1 3.07Å
574I71.1Confident61.9Low161 Ų16195.8 Ų95.883%0.82657%0.57SS**  trans-65.5111.4177.5-60.1174000105.6P572 S576P572-I574 PolarHBondContact O-N 3.17Å; I574-S576 PolarHBondContact O-N 3.18Å
575E79.2Confident65.2Low50 Ų5090.7 Ų90.723%0.23455%0.547CS..  trans-58.3130.6175.9-70176-106.500108.8K573 E579 I580 R583K573-E575 PolarHBondContact O-N 3.3Å; E575-E579 HydrophobicContact CB-CB 4.5Å; E575-I580 HydrophobicContact CB-CD1 4.25Å; E575-I580 HydrophobicContact CB-CG1 3.81Å; E575-R583 IonicContact OE2-NE 2.75Å; E575-R583 PolarHBondContact OE2-NE 3.25Å
576S85.8Confident68.5Low52 Ų5287.5 Ų87.536%0.36452%0.523SS..  trans-65.6157172.765.50000110.6I574 D578 E579 I580I574-S576 PolarHBondContact O-N 3.18Å; S576-D578 PolarHBondContact O-N 2.89Å; S576-D578 VanDerWaalsContact O-N 3.13Å; S576-E579 PolarHBondContact N-OE2 3.06Å; S576-E579 PolarHBondContact O-N 3.45Å; S576-E579 VanDerWaalsContact O-N 3.16Å; S576-E579 WeakPolarHBondContact OG-CB 3.18Å; S576-E579 VanDerWaalsContact OG-CD 3.32Å; S576-E579 WeakPolarHBondContact OG-CG 3.45Å; S576-E579 PolarHBondContact OG-N 2.91Å; S576-E579 PolarHBondContact OG-OE2 3.12Å; S576-I580 WeakPolarHBondContact O-CG1 3.48Å; S576-I580 PolarHBondContact O-N 3.25Å
577A84.4Confident72Confident65 Ų6584 Ų8454%0.53749%0.487SS..Hα-helixtrans-57.1-31177.100000112.4R581A577-R581 WeakPolarHBondContact O-CG 3.45Å; A577-R581 PolarHBondContact O-N 3.06Å; A577-R581 VanDerWaalsContact O-N 3.12Å; A577-R581 PolarHBondContact O-NH1 3.23Å
578D86.3Confident75.3Confident103 Ų10378.2 Ų78.255%0.55145%0.447SS*.Hα-helixtrans-76-39.5-179.8-63-4.5000111.7S576 R581 S582S576-D578 PolarHBondContact O-N 2.89Å; S576-D578 VanDerWaalsContact O-N 3.13Å; D578-R581 PolarHBondContact O-N 3.47Å; D578-R581 IonicContact OD1-CZ 2.78Å; D578-R581 IonicContact OD1-NH1 3.73Å; D578-R581 PolarHBondContact OD1-NH1 3.5Å; D578-R581 IonicContact OD1-NH2 3.23Å; D578-R581 PolarHBondContact OD1-NH2 2.92Å; D578-S582 WeakPolarHBondContact O-CB 3.35Å; D578-S582 PolarHBondContact O-N 2.87Å
579E89.7Confident78.3Confident81 Ų8179.2 Ų79.238%0.37944%0.441SS..Hα-helixtrans-62.3-42.8172.8-73.5167.3146.300111K573 E575 S576 S582 R583K573-E579 IonicContact NZ-OE1 3.07Å; E575-E579 HydrophobicContact CB-CB 4.5Å; S576-E579 PolarHBondContact N-OE2 3.06Å; S576-E579 PolarHBondContact O-N 3.45Å; S576-E579 VanDerWaalsContact O-N 3.16Å; S576-E579 WeakPolarHBondContact OG-CB 3.18Å; S576-E579 VanDerWaalsContact OG-CD 3.32Å; S576-E579 WeakPolarHBondContact OG-CG 3.45Å; S576-E579 PolarHBondContact OG-N 2.91Å; S576-E579 PolarHBondContact OG-OE2 3.12Å; E579-S582 PolarHBondContact O-N 3.4Å; E579-R583 WeakPolarHBondContact O-CB 3.39Å; E579-R583 PolarHBondContact O-N 3.14Å
580I88.7Confident81.2Confident63 Ų6373.8 Ų73.832%0.32340%0.402SS..Hα-helixtrans-60.5-47.9176.2-66.4166.9000110.7E575 S576 S582 R583 N584E575-I580 HydrophobicContact CB-CD1 4.25Å; E575-I580 HydrophobicContact CB-CG1 3.81Å; S576-I580 WeakPolarHBondContact O-CG1 3.48Å; S576-I580 PolarHBondContact O-N 3.25Å; I580-S582 PolarHBondContact O-N 3.31Å; I580-R583 PolarHBondContact O-N 2.73Å; I580-N584 WeakPolarHBondContact O-CB 3.44Å; I580-N584 PolarHBondContact O-N 2.97Å; I580-N584 PolarHBondContact O-ND2 2.66Å
581R89Confident84.1Confident106 Ų10669.7 Ų69.740%0.437%0.374SS..Hα-helixtrans-61.9-44.5177.3-71.8-166.2-47.2-77.911.6111.6A577 D578 R583 N584 S585A577-R581 WeakPolarHBondContact O-CG 3.45Å; A577-R581 PolarHBondContact O-N 3.06Å; A577-R581 VanDerWaalsContact O-N 3.12Å; A577-R581 PolarHBondContact O-NH1 3.23Å; D578-R581 PolarHBondContact O-N 3.47Å; D578-R581 IonicContact OD1-CZ 2.78Å; D578-R581 IonicContact OD1-NH1 3.73Å; D578-R581 PolarHBondContact OD1-NH1 3.5Å; D578-R581 IonicContact OD1-NH2 3.23Å; D578-R581 PolarHBondContact OD1-NH2 2.92Å; R581-R583 VanDerWaalsContact C-N 3.32Å; R581-R583 PolarHBondContact O-N 3.21Å; R581-N584 PolarHBondContact O-N 3.16Å; R581-S585 VanDerWaalsContact O-CB 3.29Å; R581-S585 WeakPolarHBondContact O-CB 3.13Å; R581-S585 PolarHBondContact O-N 3.21Å
582S91.6Very high86.7Confident82 Ų8266.3 Ų66.357%0.57335%0.349SS*.Hα-helixtrans-60-41.6177.2-174.50000112.1D578 E579 I580 R586D578-S582 WeakPolarHBondContact O-CB 3.35Å; D578-S582 PolarHBondContact O-N 2.87Å; E579-S582 PolarHBondContact O-N 3.4Å; I580-S582 PolarHBondContact O-N 3.31Å; S582-R586 PolarHBondContact O-N 3.18Å
583R93.6Very high88.6Confident8 Ų863.7 Ų63.73%0.0334%0.343CS..Hα-helixtrans-67-48.6178.2176.1177.36369.3-9.2112L530 N532 E575 E579 I580 R581 S585 R586 E587 E762L530-R583 HydrophobicContact CB-CG 4.19Å; L530-R583 HydrophobicContact CD2-CG 4.36Å; N532-R583 VanDerWaalsContact CG-NH1 3.34Å; N532-R583 PolarHBondContact ND2-NH1 3.46Å; N532-R583 WeakPolarHBondContact OD1-CD 3.27Å; E575-R583 IonicContact OE2-NE 2.75Å; E575-R583 PolarHBondContact OE2-NE 3.25Å; E579-R583 WeakPolarHBondContact O-CB 3.39Å; E579-R583 PolarHBondContact O-N 3.14Å; I580-R583 PolarHBondContact O-N 2.73Å; R581-R583 VanDerWaalsContact C-N 3.32Å; R581-R583 PolarHBondContact O-N 3.21Å; R583-S585 VanDerWaalsContact C-N 3.26Å; R583-S585 PolarHBondContact O-N 2.96Å; R583-R586 PolarHBondContact O-N 2.71Å; R583-R586 VanDerWaalsContact O-N 3.16Å; R583-E587 PolarHBondContact O-N 3.36Å; R583-E762 IonicContact CZ-OE2 3.66Å; R583-E762 IonicContact NH1-OE1 2.96Å; R583-E762 IonicContact NH1-OE2 2.9Å; R583-E762 IonicContact NH2-OE1 2.6Å; R583-E762 IonicContact NH2-OE2 3.9Å; R583-E762 PolarHBondContact NH2-OE2 2.87Å
584N94.8Very high89.9Confident12 Ų1259 Ų596%0.06433%0.327CS..Hα-helixtrans-62.3-36.5178.3-68.3-14.8000111.5I580 R581 S588 H766I580-N584 WeakPolarHBondContact O-CB 3.44Å; I580-N584 PolarHBondContact O-N 2.97Å; I580-N584 PolarHBondContact O-ND2 2.66Å; R581-N584 PolarHBondContact O-N 3.16Å; N584-S588 WeakPolarHBondContact O-CB 3.38Å; N584-S588 PolarHBondContact O-N 2.79Å; N584-S588 PolarHBondContact O-OG 3.32Å; N584-H766 HydrophobicContact CB-CB 3.78Å; N584-H766 PolarHBondContact O-ND1 3.23Å
585S95.1Very high90.7Very high54 Ų5451.5 Ų51.538%0.37829%0.288SS..Hα-helixtrans-62.6-45.7172.5178.30000112.2R581 R583 S588 E589 H766R581-S585 VanDerWaalsContact O-CB 3.29Å; R581-S585 WeakPolarHBondContact O-CB 3.13Å; R581-S585 PolarHBondContact O-N 3.21Å; R583-S585 VanDerWaalsContact C-N 3.26Å; R583-S585 PolarHBondContact O-N 2.96Å; S585-S588 PolarHBondContact O-N 3.35Å; S585-E589 WeakPolarHBondContact O-CB 3.42Å; S585-E589 PolarHBondContact O-N 2.81Å; S585-H766 WeakPolarHBondContact CA-CE1 3.36Å
586R95.4Very high90.9Very high104 Ų10449.5 Ų49.539%0.39228%0.28SS..Hα-helixtrans-64.2-42.1179.1-178.456.3179.8161.22.9112L530 S582 R583 E589 I590L530-R586 HydrophobicContact CD2-CB 4.16Å; L530-R586 HydrophobicContact CD2-CG 3.89Å; S582-R586 PolarHBondContact O-N 3.18Å; R583-R586 PolarHBondContact O-N 2.71Å; R583-R586 VanDerWaalsContact O-N 3.16Å; R586-E589 IonicContact CZ-OE2 2.87Å; R586-E589 IonicContact NH1-OE1 2.78Å; R586-E589 PolarHBondContact NH1-OE1 3.41Å; R586-E589 VanDerWaalsContact NH1-OE1 3.1Å; R586-E589 IonicContact NH1-OE2 3.09Å; R586-E589 PolarHBondContact NH1-OE2 3.35Å; R586-E589 PolarHBondContact O-N 3.12Å; R586-I590 HydrophobicContact CG-CD1 4.33Å; R586-I590 WeakPolarHBondContact O-CD1 3.17Å; R586-I590 WeakPolarHBondContact O-CG1 3.14Å; R586-I590 PolarHBondContact O-N 3.38Å
587E96.5Very high90.7Very high1 Ų151 Ų511%0.00529%0.291CS..Hα-helixtrans-58.5-52.3172.9174.5169.8-132.600111.3L527 L530 R583 E589 I590 L591 H703 R707L527-E587 HydrophobicContact CD2-CG 4.2Å; L530-E587 HydrophobicContact CD1-CB 3.78Å; L530-E587 HydrophobicContact CD1-CG 4.35Å; R583-E587 PolarHBondContact O-N 3.36Å; E587-E589 PolarHBondContact O-N 2.98Å; E587-I590 WeakPolarHBondContact O-CB 3.47Å; E587-I590 PolarHBondContact O-N 2.9Å; E587-L591 HydrophobicContact CG-CD1 3.77Å; E587-L591 HydrophobicContact CG-CG 4.22Å; E587-L591 WeakPolarHBondContact O-CG 3.07Å; E587-L591 PolarHBondContact O-N 3.06Å; E587-H703 IonicContact OE1-CE1 3.23Å; E587-H703 PolarHBondContact OE1-CE1 2.75Å; E587-H703 IonicContact OE1-NE2 3.02Å; E587-H703 PolarHBondContact OE1-NE2 3.06Å; E587-R707 VanDerWaalsContact CD-NE 3.33Å; E587-R707 VanDerWaalsContact CD-NH2 3.29Å; E587-R707 IonicContact OE1-CZ 3.12Å; E587-R707 VanDerWaalsContact OE1-CZ 3.23Å; E587-R707 IonicContact OE1-NE 2.66Å; E587-R707 PolarHBondContact OE1-NE 2.97Å; E587-R707 IonicContact OE1-NH2 3.24Å; E587-R707 PolarHBondContact OE1-NH2 3.19Å; E587-R707 IonicContact OE2-CZ 3.88Å; E587-R707 IonicContact OE2-NE 3.71Å; E587-R707 IonicContact OE2-NH2 3.37Å; E587-R707 PolarHBondContact OE2-NH2 2.64Å
588S96.1Very high90.7Very high0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-60.3-37.2-177.7-60.10000111.7N584 S585 L591 M592 H766 L767N584-S588 WeakPolarHBondContact O-CB 3.38Å; N584-S588 PolarHBondContact O-N 2.79Å; N584-S588 PolarHBondContact O-OG 3.32Å; S585-S588 PolarHBondContact O-N 3.35Å; S588-L591 PolarHBondContact O-N 2.87Å; S588-M592 WeakPolarHBondContact O-CB 3.13Å; S588-M592 WeakPolarHBondContact O-CG 3.46Å; S588-M592 PolarHBondContact O-N 2.86Å; S588-H766 WeakPolarHBondContact CB-ND1 3.36Å; S588-H766 PolarHBondContact OG-ND1 2.98Å; S588-L767 WeakPolarHBondContact OG-CA 3.41Å; S588-L767 PolarHBondContact OG-N 3.1Å
589E95Very high90.3Very high113 Ų11349 Ų4953%0.52828%0.278SS..Hα-helixtrans-59.3-46.9173.4-171.4-165.1163.600111.9S585 R586 E587 G593S585-E589 WeakPolarHBondContact O-CB 3.42Å; S585-E589 PolarHBondContact O-N 2.81Å; R586-E589 IonicContact CZ-OE2 2.87Å; R586-E589 IonicContact NH1-OE1 2.78Å; R586-E589 PolarHBondContact NH1-OE1 3.41Å; R586-E589 VanDerWaalsContact NH1-OE1 3.1Å; R586-E589 IonicContact NH1-OE2 3.09Å; R586-E589 PolarHBondContact NH1-OE2 3.35Å; R586-E589 PolarHBondContact O-N 3.12Å; E587-E589 PolarHBondContact O-N 2.98Å; E589-G593 PolarHBondContact O-N 2.93Å
590I93.1Very high90.1Very high13 Ų1351.8 Ų51.87%0.06729%0.289CS..Hα-helixtrans-61.1-47.4177.7-64.4158000110.2L526 R586 E587 N594L526-I590 HydrophobicContact CB-CD1 3.92Å; L526-I590 HydrophobicContact CD1-CG1 4.5Å; L526-I590 HydrophobicContact CD1-CG2 4.43Å; R586-I590 HydrophobicContact CG-CD1 4.33Å; R586-I590 WeakPolarHBondContact O-CD1 3.17Å; R586-I590 WeakPolarHBondContact O-CG1 3.14Å; R586-I590 PolarHBondContact O-N 3.38Å; E587-I590 WeakPolarHBondContact O-CB 3.47Å; E587-I590 PolarHBondContact O-N 2.9Å; I590-N594 PolarHBondContact O-ND2 3.05Å
591L94.8Very high90.1Very high1 Ų148.8 Ų48.81%0.00527%0.273CS..Hα-helixtrans-69.6-43.7-177.2-57.1174.4000111.6W517 L527 E587 S588 N594 L595 L704 R707 F711 L767W517-L591 HydrophobicContact CE3-CD2 4.22Å; W517-L591 HydrophobicContact CZ3-CD2 3.59Å; L527-L591 HydrophobicContact CD2-CD2 4.49Å; E587-L591 HydrophobicContact CG-CD1 3.77Å; E587-L591 HydrophobicContact CG-CG 4.22Å; E587-L591 WeakPolarHBondContact O-CG 3.07Å; E587-L591 PolarHBondContact O-N 3.06Å; S588-L591 PolarHBondContact O-N 2.87Å; L591-N594 PolarHBondContact O-N 3.39Å; L591-L595 PolarHBondContact O-N 2.87Å; L591-L704 HydrophobicContact CD2-CD2 3.93Å; L591-R707 HydrophobicContact CD1-CB 4.06Å; L591-R707 HydrophobicContact CD1-CG 3.89Å; L591-F711 HydrophobicContact CB-CE2 3.91Å; L591-F711 HydrophobicContact CB-CZ 3.87Å; L591-L767 HydrophobicContact CB-CD1 4.32Å; L591-L767 HydrophobicContact CD1-CD1 4.13Å; L591-L767 HydrophobicContact CD1-CD2 3.91Å
592M93.1Very high90.1Very high33 Ų3349.6 Ų49.616%0.16328%0.282CS..Hα-helixtrans-64.3-38.9178-77-65.4-61.400112.2S588 N594 G596 F711 T770 I771 S774S588-M592 WeakPolarHBondContact O-CB 3.13Å; S588-M592 WeakPolarHBondContact O-CG 3.46Å; S588-M592 PolarHBondContact O-N 2.86Å; M592-N594 PolarHBondContact O-N 3.17Å; M592-G596 VanDerWaalsContact O-CA 3.27Å; M592-G596 WeakPolarHBondContact O-CA 3.43Å; M592-G596 PolarHBondContact O-N 3.01Å; M592-F711 HydrophobicContact SD-CE1 3.6Å; M592-F711 HydrophobicContact SD-CZ 4.07Å; M592-T770 HydrophobicContact CG-CG2 3.76Å; M592-T770 HydrophobicContact SD-CG2 4.35Å; M592-I771 HydrophobicContact SD-CG1 3.77Å; M592-S774 WeakPolarHBondContact CE-OG 3.28Å
593G88.1Confident89.8Confident61 Ų6149.6 Ų49.663%0.62928%0.279SS*.Hα-helixtrans-59.5-29.617600000113E589E589-G593 PolarHBondContact O-N 2.93Å
594N86.5Confident89.4Confident77 Ų7752.1 Ų52.141%0.41230%0.297SS..Hα-helixtrans-99.2-42.7-176.3-72.6-72.7000113.9W517 I590 L591 M592W517-N594 HydrophobicContact CH2-CB 3.3Å; W517-N594 HydrophobicContact CZ2-CB 3.42Å; W517-N594 VanDerWaalsContact CZ2-CB 3.42Å; W517-N594 HydrophobicContact CZ3-CB 4.36Å; I590-N594 PolarHBondContact O-ND2 3.05Å; L591-N594 PolarHBondContact O-N 3.39Å; M592-N594 PolarHBondContact O-N 3.17Å
595L87.9Confident89Confident3 Ų354.3 Ų54.32%0.01631%0.307CS..Hα-helixtrans-106.7-22.9-177.6-69.3167.2000114.1I513 W517 L591 S597 Q598 I601 V708 F711I513-L595 HydrophobicContact CD1-CD2 4.19Å; I513-L595 HydrophobicContact CG2-CD1 4.26Å; I513-L595 HydrophobicContact CG2-CD2 4.22Å; W517-L595 HydrophobicContact CH2-CB 4.34Å; W517-L595 HydrophobicContact CH2-CD1 3.4Å; W517-L595 VanDerWaalsContact CH2-CD1 3.4Å; W517-L595 HydrophobicContact CH2-CD2 4.21Å; W517-L595 HydrophobicContact CH2-CG 3.34Å; W517-L595 HydrophobicContact CZ2-CD1 3.83Å; W517-L595 HydrophobicContact CZ2-CD2 3.86Å; W517-L595 HydrophobicContact CZ2-CG 3.5Å; W517-L595 VanDerWaalsContact CZ2-CG 3.5Å; W517-L595 HydrophobicContact CZ3-CD1 3.9Å; W517-L595 HydrophobicContact CZ3-CG 4.31Å; L591-L595 PolarHBondContact O-N 2.87Å; L595-S597 PolarHBondContact O-N 2.89Å; L595-S597 VanDerWaalsContact O-N 3.11Å; L595-Q598 WeakPolarHBondContact O-CB 3.41Å; L595-Q598 PolarHBondContact O-N 3.34Å; L595-I601 HydrophobicContact CD2-CD1 4.15Å; L595-V708 HydrophobicContact CD1-CG2 4.27Å; L595-F711 HydrophobicContact CB-CD1 3.87Å; L595-F711 HydrophobicContact CB-CD2 4.09Å; L595-F711 HydrophobicContact CB-CE1 3.93Å; L595-F711 HydrophobicContact CB-CE2 4.18Å; L595-F711 HydrophobicContact CB-CG 3.94Å; L595-F711 HydrophobicContact CB-CZ 4.09Å; L595-F711 HydrophobicContact CD1-CD2 3.63Å; L595-F711 HydrophobicContact CD1-CE2 3.92Å; L595-F711 HydrophobicContact CD1-CG 4.15Å
596G83.7Confident88.6Confident7 Ų752.1 Ų52.17%0.07229%0.291CS..THydrogen-bonded Turntrans-62.5-25.4-172.100000114M592 R719M592-G596 VanDerWaalsContact O-CA 3.27Å; M592-G596 WeakPolarHBondContact O-CA 3.43Å; M592-G596 PolarHBondContact O-N 3.01Å; G596-R719 PolarHBondContact O-NH2 3Å
597S82.4Confident87.9Confident83 Ų8347.2 Ų47.258%0.5827%0.273SS*.THydrogen-bonded Turntrans-79.5-23.4177.762.80000113.4L595 R719L595-S597 PolarHBondContact O-N 2.89Å; L595-S597 VanDerWaalsContact O-N 3.11Å; S597-R719 VanDerWaalsContact C-NH2 3.32Å; S597-R719 PolarHBondContact O-NH1 2.86Å; S597-R719 VanDerWaalsContact O-NH1 3.11Å; S597-R719 PolarHBondContact O-NH2 2.9Å
598Q83.2Confident86.8Confident65 Ų6552.7 Ų52.730%0.30430%0.302SS..  trans-64.9139.8-177.5-64.6-173.1-27.800111.9L595 L715 R719L595-Q598 WeakPolarHBondContact O-CB 3.41Å; L595-Q598 PolarHBondContact O-N 3.34Å; Q598-L715 HydrophobicContact CB-CD1 4.48Å; Q598-R719 PolarHBondContact O-NH1 3.44Å; Q598-R719 PolarHBondContact O-NH2 3.13Å
599A78.1Confident85.9Confident63 Ų6355 Ų5552%0.52131%0.311SS..SBendtrans-75.2-37.7-179.300000113.6
600K85.6Confident85.3Confident139 Ų13952.9 Ų52.960%0.60430%0.304SS*.  trans-159.2139180179.7174.9178.9-173.90107.4P716K600-P716 HydrophobicContact CG-CG 4.18Å
601I88.9Confident85.1Confident0 Ų054 Ų540%032%0.315CS..  trans-89.6131.5166.6-64.7173.3000106.9I513 L595 E605 L606 V708 F711 Y712I513-I601 HydrophobicContact CD1-CD1 4.2Å; I513-I601 HydrophobicContact CD1-CG1 4.26Å; I513-I601 HydrophobicContact CD1-CG2 3.63Å; L595-I601 HydrophobicContact CD2-CD1 4.15Å; I601-E605 HydrophobicContact CG2-CB 4.02Å; I601-L606 HydrophobicContact CG2-CD2 4.21Å; I601-V708 HydrophobicContact CD1-CG1 4.2Å; I601-F711 HydrophobicContact CD1-CB 3.53Å; I601-Y712 HydrophobicContact CB-CD2 4.04Å; I601-Y712 HydrophobicContact CG2-CD2 4.09Å; I601-Y712 VanDerWaalsContact O-CD2 3.28Å; I601-Y712 WeakPolarHBondContact O-CD2 3.26Å; I601-Y712 VanDerWaalsContact O-CE2 3.29Å; I601-Y712 WeakPolarHBondContact O-CE2 3.47Å
602E88.2Confident84.9Confident122 Ų12260.7 Ų60.757%0.5734%0.34SS*.  trans-76.6148.2176.8-63.2-172.1173.500111S604 E605E602-S604 VanDerWaalsContact CB-OG 3.23Å; E602-S604 WeakPolarHBondContact CB-OG 3.36Å; E602-S604 PolarHBondContact O-N 3.48Å; E602-S604 VanDerWaalsContact O-N 3.15Å; E602-S604 PolarHBondContact OE2-OG 3.15Å; E602-S604 VanDerWaalsContact OE2-OG 3.1Å; E602-E605 HydrophobicContact CB-CG 4.19Å; E602-E605 PolarHBondContact N-OE2 2.95Å; E602-E605 WeakPolarHBondContact O-CB 3.5Å; E602-E605 PolarHBondContact O-N 3.28Å
603T86.3Confident84.8Confident83 Ų8360.5 Ų60.551%0.50934%0.338SS..G310 helixtrans-60.8-25.7175.8-45.90000112.1E605 L606 Y712T603-E605 PolarHBondContact O-N 3.32Å; T603-L606 PolarHBondContact O-N 3.37Å; T603-Y712 PolarHBondContact OG1-OH 3.37Å
604S84.1Confident85.1Confident61 Ų6157.7 Ų57.743%0.42731%0.308SS..G310 helixtrans-65.1-22.6173.452.40000113K512 E602K512-S604 PolarHBondContact NZ-O 3.31Å; E602-S604 VanDerWaalsContact CB-OG 3.23Å; E602-S604 WeakPolarHBondContact CB-OG 3.36Å; E602-S604 PolarHBondContact O-N 3.48Å; E602-S604 VanDerWaalsContact O-N 3.15Å; E602-S604 PolarHBondContact OE2-OG 3.15Å; E602-S604 VanDerWaalsContact OE2-OG 3.1Å
605E87.2Confident85.5Confident58 Ų5859.4 Ų59.427%0.27131%0.309SS..G310 helixtrans-90.3-14.7-178.6-63.6179.3105.900113.1K512 I513 I601 E602 T603K512-E605 CarbonylContact C-O 3.58Å; K512-E605 VanDerWaalsContact CA-O 3.27Å; K512-E605 WeakPolarHBondContact CA-O 3.36Å; I513-E605 HydrophobicContact CD1-CB 3.79Å; I513-E605 HydrophobicContact CG1-CB 4.02Å; I513-E605 PolarHBondContact N-O 2.82Å; I601-E605 HydrophobicContact CG2-CB 4.02Å; E602-E605 HydrophobicContact CB-CG 4.19Å; E602-E605 PolarHBondContact N-OE2 2.95Å; E602-E605 WeakPolarHBondContact O-CB 3.5Å; E602-E605 PolarHBondContact O-N 3.28Å; T603-E605 PolarHBondContact O-N 3.32Å
606L86.7Confident85.8Confident8 Ų860.2 Ų60.24%0.04231%0.313CS..SBendtrans-81.6151.2174.1-61.3179.3000111.8K512 I601 T603 L608 V708 Y712K512-L606 WeakPolarHBondContact CD-O 3.41Å; K512-L606 WeakPolarHBondContact CE-O 3.26Å; K512-L606 PolarHBondContact NZ-O 2.88Å; I601-L606 HydrophobicContact CG2-CD2 4.21Å; T603-L606 PolarHBondContact O-N 3.37Å; L606-L608 PolarHBondContact O-N 3.42Å; L606-V708 HydrophobicContact CD2-CB 4.49Å; L606-V708 HydrophobicContact CD2-CG1 3.42Å; L606-V708 VanDerWaalsContact CD2-CG1 3.42Å; L606-Y712 HydrophobicContact CD1-CD1 3.86Å; L606-Y712 HydrophobicContact CD1-CD2 3.62Å; L606-Y712 HydrophobicContact CD1-CE1 3.96Å; L606-Y712 HydrophobicContact CD1-CE2 3.71Å; L606-Y712 HydrophobicContact CD1-CG 3.68Å; L606-Y712 HydrophobicContact CD2-CD2 4.31Å; L606-Y712 HydrophobicContact CD2-CG 4.31Å; L606-Y712 HydrophobicContact CG-CD2 4.1Å; L606-Y712 HydrophobicContact CG-CE2 4.41Å; L606-Y712 HydrophobicContact CG-CG 4.39Å
607L81.3Confident86.4Confident1 Ų159.9 Ų59.91%0.00531%0.31CS..PPolyproline II helixtrans-63.4122158.6-70.5167.3000106.8S479 K512 S514 F609 F614 M701 E705S479-L607 WeakPolarHBondContact O-CD2 3.27Å; K512-L607 HydrophobicContact CB-CD2 4.09Å; K512-L607 HydrophobicContact CB-CG 4.21Å; K512-L607 HydrophobicContact CG-CD2 3.8Å; K512-L607 HydrophobicContact CG-CG 4.32Å; S514-L607 WeakPolarHBondContact OG-CD1 3.33Å; L607-F609 PolarHBondContact O-N 3.4Å; L607-F609 VanDerWaalsContact O-N 3.14Å; L607-F614 HydrophobicContact CB-CZ 4.08Å; L607-M701 HydrophobicContact CD1-CE 4.44Å; L607-M701 HydrophobicContact CD1-CG 4.12Å; L607-M701 HydrophobicContact CD1-SD 4.06Å; L607-E705 HydrophobicContact CB-CG 4.33Å; L607-E705 WeakPolarHBondContact CB-OE1 3.13Å; L607-E705 HydrophobicContact CD1-CB 4.45Å; L607-E705 HydrophobicContact CD1-CG 4.14Å; L607-E705 WeakPolarHBondContact CD1-OE2 3.29Å; L607-E705 PolarHBondContact N-OE1 2.79Å
608L72.8Confident87Confident116 Ų11656 Ų5661%0.60728%0.282SS*.PPolyproline II helixtrans-52.1127.6179.9177.967.7000108.5L606 D610L606-L608 PolarHBondContact O-N 3.42Å; L608-D610 PolarHBondContact O-N 3.28Å
609F76.3Confident87.6Confident47 Ų4753 Ų5321%0.20627%0.269CS..  trans-65.985.9180-157.8-64.9000110.4L607 H709 D740 R743 L744 I747L607-F609 PolarHBondContact O-N 3.4Å; L607-F609 VanDerWaalsContact O-N 3.14Å; F609-H709 AromaticContact CD2-CE1 3.75Å; F609-D740 HydrophobicContact CD2-CB 4.47Å; F609-D740 HydrophobicContact CE2-CB 4.05Å; F609-R743 HydrophobicContact CE1-CB 4.2Å; F609-R743 HydrophobicContact CE1-CG 3.57Å; F609-R743 HydrophobicContact CZ-CB 3.72Å; F609-R743 VanDerWaalsContact CZ-CD 3.42Å; F609-R743 HydrophobicContact CZ-CG 3.59Å; F609-L744 HydrophobicContact CE2-CD1 4.38Å; F609-L744 HydrophobicContact CE2-CD2 3.92Å; F609-L744 HydrophobicContact CE2-CG 3.72Å; F609-L744 HydrophobicContact CZ-CD2 4.01Å; F609-L744 HydrophobicContact CZ-CG 3.94Å; F609-I747 HydrophobicContact CE1-CD1 3.89Å; F609-I747 HydrophobicContact CZ-CD1 4.11Å
610D84.2Confident88.6Confident70 Ų7050 Ų5037%0.37424%0.244SC..  trans-117.9109.5175.4175.9-4000108.3L608 R612 R613 F614L608-D610 PolarHBondContact O-N 3.28Å; D610-R612 PolarHBondContact O-N 3.14Å; D610-R612 VanDerWaalsContact O-N 3.12Å; D610-R612 VanDerWaalsContact OD1-CB 3.3Å; D610-R612 WeakPolarHBondContact OD1-CB 3.18Å; D610-R612 PolarHBondContact OD1-N 3.23Å; D610-R613 HydrophobicContact CB-CB 3.78Å; D610-R613 WeakPolarHBondContact O-CB 3.49Å; D610-R613 PolarHBondContact O-N 3.49Å; D610-R613 PolarHBondContact OD1-N 3.01Å; D610-F614 WeakPolarHBondContact O-CD2 3.04Å; D610-F614 PolarHBondContact O-N 2.88Å; D610-F614 VanDerWaalsContact O-N 3.09Å
611A88.1Confident89.1Confident37 Ų3743.5 Ų43.531%0.30622%0.216SC..Hα-helixtrans-55.7-32-178.800000113R615 I747A611-R615 WeakPolarHBondContact O-CB 3.19Å; A611-R615 PolarHBondContact O-N 2.97Å; A611-I747 HydrophobicContact CB-CD1 3.63Å; A611-I747 HydrophobicContact CB-CG1 4Å; A611-I747 WeakPolarHBondContact O-CG2 3.45Å
612R91.1Very high89.4Confident140 Ų14043.7 Ų43.753%0.52822%0.216SC..Hα-helixtrans-71-45.2175.5-175.5178.6179.2-172.4-0.7110.8D610 R615 L616D610-R612 PolarHBondContact O-N 3.14Å; D610-R612 VanDerWaalsContact O-N 3.12Å; D610-R612 VanDerWaalsContact OD1-CB 3.3Å; D610-R612 WeakPolarHBondContact OD1-CB 3.18Å; D610-R612 PolarHBondContact OD1-N 3.23Å; R612-R615 WeakPolarHBondContact O-CB 3.32Å; R612-R615 PolarHBondContact O-N 3.39Å; R612-L616 HydrophobicContact CG-CD1 4.11Å; R612-L616 HydrophobicContact CG-CG 4.35Å; R612-L616 WeakPolarHBondContact O-CG 3.43Å; R612-L616 PolarHBondContact O-N 3.01Å
613R91Very high89.9Confident30 Ų3037.9 Ų37.911%0.11319%0.189CC..Hα-helixtrans-59.3-48.6-179.7-173.6179179.8131.9-5.7112.2L478 S479 C480 D610 R615 L616 L617L478-R613 HydrophobicContact CD2-CG 4.48Å; L478-R613 PolarHBondContact O-NE 3.11Å; L478-R613 PolarHBondContact O-NH2 3.48Å; S479-R613 VanDerWaalsContact C-NH2 3.34Å; C480-R613 PolarHBondContact O-NH1 3.31Å; C480-R613 PolarHBondContact O-NH2 3.11Å; D610-R613 HydrophobicContact CB-CB 3.78Å; D610-R613 WeakPolarHBondContact O-CB 3.49Å; D610-R613 PolarHBondContact O-N 3.49Å; D610-R613 PolarHBondContact OD1-N 3.01Å; R613-R615 VanDerWaalsContact C-N 3.31Å; R613-R615 PolarHBondContact O-N 2.93Å; R613-L616 PolarHBondContact O-N 3.45Å; R613-L616 VanDerWaalsContact O-N 3.16Å; R613-L617 HydrophobicContact CG-CD1 4.39Å; R613-L617 PolarHBondContact O-N 3Å
614F93.2Very high90.4Very high2 Ų233.9 Ų33.91%0.00917%0.165CC..Hα-helixtrans-61.8-39.9177.1-79.8-81.4000112.4L607 D610 L617 A618 L702 E705 L744 I747L607-F614 HydrophobicContact CB-CZ 4.08Å; D610-F614 WeakPolarHBondContact O-CD2 3.04Å; D610-F614 PolarHBondContact O-N 2.88Å; D610-F614 VanDerWaalsContact O-N 3.09Å; F614-L617 PolarHBondContact O-N 3.19Å; F614-A618 PolarHBondContact O-N 3.47Å; F614-L702 HydrophobicContact CD1-CD2 3.83Å; F614-L702 HydrophobicContact CE1-CD2 4.33Å; F614-E705 HydrophobicContact CE1-CB 4.31Å; F614-E705 HydrophobicContact CE1-CG 3.73Å; F614-E705 HydrophobicContact CZ-CG 3.69Å; F614-L744 HydrophobicContact CD1-CD2 3.64Å; F614-L744 HydrophobicContact CD2-CD2 4.15Å; F614-L744 HydrophobicContact CE1-CD2 3.71Å; F614-L744 HydrophobicContact CE2-CD2 4.24Å; F614-L744 HydrophobicContact CG-CD2 3.87Å; F614-L744 HydrophobicContact CZ-CD2 4.02Å; F614-I747 HydrophobicContact CB-CG2 3.87Å
615R94.6Very high91Very high112 Ų11232.3 Ų32.342%0.42315%0.151SC..Hα-helixtrans-61.7-43.8173.7-167.5178.2-63.6108.11.7111.7A611 R612 R613 A618 N619 I747 A751A611-R615 WeakPolarHBondContact O-CB 3.19Å; A611-R615 PolarHBondContact O-N 2.97Å; R612-R615 WeakPolarHBondContact O-CB 3.32Å; R612-R615 PolarHBondContact O-N 3.39Å; R613-R615 VanDerWaalsContact C-N 3.31Å; R613-R615 PolarHBondContact O-N 2.93Å; R615-A618 PolarHBondContact O-N 2.84Å; R615-N619 PolarHBondContact O-N 3.24Å; R615-N619 PolarHBondContact O-ND2 3.44Å; R615-I747 HydrophobicContact CB-CG2 3.86Å; R615-A751 HydrophobicContact CG-CB 3.91Å
616L94.6Very high91.3Very high21 Ų2129.9 Ų29.911%0.1114%0.139CC..Hα-helixtrans-66.8-39.4178.7-67.9177000111.7F429 L478 R612 R613 A618 N619 F620F429-L616 HydrophobicContact CE1-CD2 3.83Å; F429-L616 HydrophobicContact CZ-CB 4.32Å; F429-L616 HydrophobicContact CZ-CD2 3.7Å; L478-L616 HydrophobicContact CD1-CB 4.32Å; L478-L616 HydrophobicContact CD2-CB 4.31Å; L478-L616 HydrophobicContact CD2-CD1 4.48Å; R612-L616 HydrophobicContact CG-CD1 4.11Å; R612-L616 HydrophobicContact CG-CG 4.35Å; R612-L616 WeakPolarHBondContact O-CG 3.43Å; R612-L616 PolarHBondContact O-N 3.01Å; R613-L616 PolarHBondContact O-N 3.45Å; R613-L616 VanDerWaalsContact O-N 3.16Å; L616-A618 PolarHBondContact O-N 3.42Å; L616-N619 PolarHBondContact O-N 3.09Å; L616-F620 WeakPolarHBondContact O-CB 3.29Å; L616-F620 PolarHBondContact O-N 3.43Å
617L95.6Very high91.8Very high0 Ų029.5 Ų29.50%014%0.137CC..Hα-helixtrans-60.6-43173.8-78.5168.9000112.5L478 R613 F614 F620 Q621 C698 M701 L702L478-L617 HydrophobicContact CB-CD2 3.49Å; L478-L617 VanDerWaalsContact CB-CD2 3.49Å; L478-L617 HydrophobicContact CB-CG 4.03Å; L478-L617 HydrophobicContact CD1-CD2 4.05Å; L478-L617 HydrophobicContact CD1-CG 4.38Å; L478-L617 HydrophobicContact CG-CD2 4.4Å; R613-L617 HydrophobicContact CG-CD1 4.39Å; R613-L617 PolarHBondContact O-N 3Å; F614-L617 PolarHBondContact O-N 3.19Å; L617-F620 WeakPolarHBondContact O-CB 3.06Å; L617-F620 PolarHBondContact O-N 3.13Å; L617-Q621 WeakPolarHBondContact O-CB 3.33Å; L617-Q621 PolarHBondContact O-N 3.45Å; L617-C698 PolarHBondContact O-SG 3.47Å; L617-C698 VanDerWaalsContact O-SG 3.34Å; L617-M701 HydrophobicContact CD1-CE 3.73Å; L617-M701 HydrophobicContact CD2-CE 3.43Å; L617-M701 VanDerWaalsContact CD2-CE 3.43Å; L617-M701 HydrophobicContact CG-CE 4.19Å; L617-L702 HydrophobicContact CB-CD2 4.03Å; L617-L702 HydrophobicContact CD1-CD2 4.29Å
618A96.4Very high92.5Very high0 Ų029.4 Ų29.40%014%0.137CC..Hα-helixtrans-63.8-49.7175.400000112F614 R615 L616 F620 Q621 E622 L702 L748 A751 L752F614-A618 PolarHBondContact O-N 3.47Å; R615-A618 PolarHBondContact O-N 2.84Å; L616-A618 PolarHBondContact O-N 3.42Å; A618-F620 PolarHBondContact O-N 2.89Å; A618-Q621 WeakPolarHBondContact O-CB 3.48Å; A618-Q621 PolarHBondContact O-N 2.92Å; A618-E622 WeakPolarHBondContact O-CG 3.48Å; A618-E622 PolarHBondContact O-N 3.04Å; A618-E622 VanDerWaalsContact O-N 3.09Å; A618-L702 HydrophobicContact CB-CD1 4.48Å; A618-L748 HydrophobicContact CB-CD2 3.78Å; A618-A751 HydrophobicContact CB-CB 3.79Å; A618-L752 HydrophobicContact CB-CB 4.22Å; A618-L752 HydrophobicContact CB-CD1 4.24Å
619N96.4Very high93.5Very high4 Ų428.8 Ų28.82%0.02113%0.126CC..Hα-helixtrans-62.6-32.4175.8-69.5-63.1000112T402 P427 F429 R615 L616 S623T402-N619 HydrophobicContact CG2-CB 3.92Å; P427-N619 PolarHBondContact O-OD1 2.82Å; P427-N619 VanDerWaalsContact O-OD1 3.1Å; F429-N619 HydrophobicContact CD2-CB 4.27Å; F429-N619 HydrophobicContact CE2-CB 3.83Å; F429-N619 HydrophobicContact CZ-CB 4.11Å; R615-N619 PolarHBondContact O-N 3.24Å; R615-N619 PolarHBondContact O-ND2 3.44Å; L616-N619 PolarHBondContact O-N 3.09Å; N619-S623 WeakPolarHBondContact O-CB 3.16Å; N619-S623 PolarHBondContact O-N 3.27Å; N619-S623 PolarHBondContact O-OG 3.08Å
620F97.5Very high94.2Very high0 Ų026.5 Ų26.50%012%0.117CC..Hα-helixtrans-64.8-50.3177.4174.8-91.1000109.9W399 F429 A471 E474 Y475 L478 L616 L617 A618 E622 S623 V624 L694 C698W399-F620 HydrophobicContact CD2-CD2 4.35Å; W399-F620 AromaticContact CE3-CD2 3.7Å; W399-F620 HydrophobicContact CE3-CD2 3.7Å; W399-F620 HydrophobicContact CE3-CE2 4.15Å; W399-F620 HydrophobicContact CH2-CD2 4.31Å; W399-F620 HydrophobicContact CH2-CE2 4.07Å; W399-F620 HydrophobicContact CZ2-CE2 4.46Å; W399-F620 AromaticContact CZ3-CD2 3.67Å; W399-F620 HydrophobicContact CZ3-CD2 3.67Å; W399-F620 AromaticContact CZ3-CE2 3.9Å; W399-F620 HydrophobicContact CZ3-CE2 3.9Å; F429-F620 VanDerWaalsContact CE2-CA 3.45Å; F429-F620 HydrophobicContact CE2-CB 3.81Å; F429-F620 VanDerWaalsContact CE2-N 3.3Å; A471-F620 HydrophobicContact CB-CE2 4.01Å; A471-F620 HydrophobicContact CB-CZ 4.08Å; A471-F620 WeakPolarHBondContact O-CE2 3.41Å; A471-F620 VanDerWaalsContact O-CZ 3.3Å; A471-F620 WeakPolarHBondContact O-CZ 3.4Å; E474-F620 HydrophobicContact CB-CE2 4.22Å; E474-F620 HydrophobicContact CG-CD2 4.31Å; E474-F620 HydrophobicContact CG-CE2 4.41Å; Y475-F620 AromaticContact CD2-CE1 3.9Å; Y475-F620 HydrophobicContact CD2-CE1 3.9Å; Y475-F620 HydrophobicContact CG-CE1 4.41Å; L478-F620 HydrophobicContact CD1-CB 4.47Å; L616-F620 WeakPolarHBondContact O-CB 3.29Å; L616-F620 PolarHBondContact O-N 3.43Å; L617-F620 WeakPolarHBondContact O-CB 3.06Å; L617-F620 PolarHBondContact O-N 3.13Å; A618-F620 PolarHBondContact O-N 2.89Å; F620-E622 VanDerWaalsContact C-N 3.32Å; F620-E622 PolarHBondContact O-N 3.14Å; F620-S623 PolarHBondContact O-N 2.81Å; F620-V624 HydrophobicContact CD1-CG2 4.23Å; F620-V624 HydrophobicContact CD2-CG2 4.01Å; F620-V624 HydrophobicContact CE1-CG2 3.95Å; F620-V624 HydrophobicContact CE2-CG2 3.72Å; F620-V624 HydrophobicContact CG-CG2 4.25Å; F620-V624 HydrophobicContact CZ-CG2 3.68Å; F620-V624 VanDerWaalsContact O-CB 3.31Å; F620-V624 WeakPolarHBondContact O-CB 3.35Å; F620-V624 WeakPolarHBondContact O-CG2 3.42Å; F620-V624 PolarHBondContact O-N 2.93Å; F620-L694 HydrophobicContact CE1-CB 4.34Å; F620-L694 HydrophobicContact CZ-CB 4.44Å; F620-C698 HydrophobicContact CD1-CB 4.27Å
621Q96.5Very high94.7Very high1 Ų123.2 Ų23.21%0.00510%0.099CC..Hα-helixtrans-50.8-53.4175.2-170.3-67.6-44.600110.7L617 A618 E625 C698 L699 L752L617-Q621 WeakPolarHBondContact O-CB 3.33Å; L617-Q621 PolarHBondContact O-N 3.45Å; A618-Q621 WeakPolarHBondContact O-CB 3.48Å; A618-Q621 PolarHBondContact O-N 2.92Å; Q621-E625 PolarHBondContact NE2-OE2 3.13Å; Q621-E625 WeakPolarHBondContact O-CB 3.38Å; Q621-E625 PolarHBondContact O-N 3.36Å; Q621-C698 HydrophobicContact CB-CB 4.35Å; Q621-C698 HydrophobicContact CG-CB 4.47Å; Q621-L699 HydrophobicContact CG-CB 3.87Å; Q621-L752 HydrophobicContact CG-CD1 4.49Å
622E96.3Very high94.9Very high4 Ų425.4 Ų25.42%0.01910%0.099CC..Hα-helixtrans-66.1-41.6-177.4-66.6-69.9178.500112.5V426 L428 A618 F620 Y626 L752 Q753 K756V426-E622 HydrophobicContact CG2-CB 3.92Å; V426-E622 HydrophobicContact CG2-CG 3.74Å; L428-E622 HydrophobicContact CD2-CB 4.41Å; A618-E622 WeakPolarHBondContact O-CG 3.48Å; A618-E622 PolarHBondContact O-N 3.04Å; A618-E622 VanDerWaalsContact O-N 3.09Å; F620-E622 VanDerWaalsContact C-N 3.32Å; F620-E622 PolarHBondContact O-N 3.14Å; E622-Y626 WeakPolarHBondContact O-CB 3.41Å; E622-Y626 PolarHBondContact O-N 2.79Å; E622-L752 HydrophobicContact CG-CD1 3.97Å; E622-L752 WeakPolarHBondContact OE1-CD1 3.36Å; E622-Q753 WeakPolarHBondContact OE1-CB 3.32Å; E622-Q753 VanDerWaalsContact OE1-CG 3.28Å; E622-Q753 WeakPolarHBondContact OE1-CG 3.48Å; E622-Q753 PolarHBondContact OE1-N 3.02Å; E622-Q753 PolarHBondContact OE2-NE2 2.85Å; E622-K756 WeakPolarHBondContact OE1-CD 3.29Å; E622-K756 IonicContact OE1-NZ 2.79Å; E622-K756 PolarHBondContact OE1-NZ 3.21Å; E622-K756 IonicContact OE2-NZ 2.86Å; E622-K756 PolarHBondContact OE2-NZ 3.37Å
623S97.1Very high94.8Very high0 Ų021.9 Ų21.90%010%0.096CC..Hα-helixtrans-67.7-44.4-177.5-57.80000112.3L428 F429 T432 N619 F620 Y626 F627L428-S623 WeakPolarHBondContact CA-OG 3.12Å; F429-S623 WeakPolarHBondContact CD2-OG 3.19Å; F429-S623 PolarHBondContact N-OG 2.68Å; T432-S623 WeakPolarHBondContact CG2-O 3.27Å; N619-S623 WeakPolarHBondContact O-CB 3.16Å; N619-S623 PolarHBondContact O-N 3.27Å; N619-S623 PolarHBondContact O-OG 3.08Å; F620-S623 PolarHBondContact O-N 2.81Å; S623-Y626 PolarHBondContact O-N 2.78Å; S623-F627 WeakPolarHBondContact O-CB 3.29Å; S623-F627 PolarHBondContact O-N 3.14Å
624V97.5Very high94.8Very high0 Ų021.4 Ų21.40%010%0.095CC..Hα-helixtrans-66.6-41.5-179.1171.40000110.7W399 Y467 A471 F620 F627 C628 I691 L694 A695W399-V624 HydrophobicContact CH2-CG2 4.14Å; W399-V624 HydrophobicContact CZ3-CG2 4.2Å; Y467-V624 HydrophobicContact CE1-CG2 4.49Å; A471-V624 HydrophobicContact CB-CG2 4.36Å; F620-V624 HydrophobicContact CD1-CG2 4.23Å; F620-V624 HydrophobicContact CD2-CG2 4.01Å; F620-V624 HydrophobicContact CE1-CG2 3.95Å; F620-V624 HydrophobicContact CE2-CG2 3.72Å; F620-V624 HydrophobicContact CG-CG2 4.25Å; F620-V624 HydrophobicContact CZ-CG2 3.68Å; F620-V624 VanDerWaalsContact O-CB 3.31Å; F620-V624 WeakPolarHBondContact O-CB 3.35Å; F620-V624 WeakPolarHBondContact O-CG2 3.42Å; F620-V624 PolarHBondContact O-N 2.93Å; V624-F627 WeakPolarHBondContact O-CB 3.37Å; V624-F627 PolarHBondContact O-N 3.14Å; V624-C628 PolarHBondContact O-N 2.86Å; V624-I691 HydrophobicContact CG1-CG2 3.34Å; V624-I691 WeakPolarHBondContact CG1-O 3.45Å; V624-L694 HydrophobicContact CG1-CB 4.46Å; V624-A695 HydrophobicContact CB-CB 4.24Å; V624-A695 HydrophobicContact CG1-CB 3.91Å
625E95.6Very high94.7Very high28 Ų2822.2 Ų22.213%0.13110%0.1CC..Hα-helixtrans-64.6-44.5173.5-171.7-177.9128.700111.6V540 Q621 F627 C628 R629 A695 K756V540-E625 HydrophobicContact CG1-CG 4.12Å; V540-E625 VanDerWaalsContact CG1-OE1 3.28Å; V540-E625 WeakPolarHBondContact CG1-OE1 3.41Å; V540-E625 WeakPolarHBondContact CG2-OE1 3.13Å; Q621-E625 PolarHBondContact NE2-OE2 3.13Å; Q621-E625 WeakPolarHBondContact O-CB 3.38Å; Q621-E625 PolarHBondContact O-N 3.36Å; E625-F627 VanDerWaalsContact C-N 3.32Å; E625-F627 PolarHBondContact O-N 3.2Å; E625-C628 PolarHBondContact O-N 3.48Å; E625-R629 PolarHBondContact O-N 3.19Å; E625-A695 HydrophobicContact CB-CB 4.15Å; E625-K756 IonicContact OE1-NZ 3.75Å; E625-K756 PolarHBondContact OE1-NZ 2.83Å; E625-K756 VanDerWaalsContact OE1-NZ 3.09Å; E625-K756 WeakPolarHBondContact OE2-CE 3.16Å; E625-K756 IonicContact OE2-NZ 3.59Å; E625-K756 PolarHBondContact OE2-NZ 3.36Å
626Y95.2Very high94.4Very high6 Ų620 Ų202%0.02411%0.105CC..Hα-helixtrans-59.8-41.8176.9-179.1-89.8000112.1L415 P422 L428 L433 L436 E622 S623 C628 R629 C630L415-Y626 WeakPolarHBondContact CD1-OH 3.33Å; L415-Y626 HydrophobicContact CD2-CE1 4.39Å; L415-Y626 VanDerWaalsContact CD2-OH 3.31Å; L415-Y626 WeakPolarHBondContact CD2-OH 3.4Å; P422-Y626 HydrophobicContact CG-CE2 4.44Å; P422-Y626 WeakPolarHBondContact O-CE2 3.3Å; P422-Y626 PolarHBondContact O-OH 3.4Å; L428-Y626 HydrophobicContact CD1-CD1 3.6Å; L428-Y626 HydrophobicContact CD1-CD2 3.93Å; L428-Y626 HydrophobicContact CD1-CE1 3.69Å; L428-Y626 HydrophobicContact CD1-CE2 4.02Å; L428-Y626 HydrophobicContact CD1-CG 3.74Å; L428-Y626 HydrophobicContact CD2-CG 4.14Å; L433-Y626 HydrophobicContact CD2-CE1 4.23Å; L436-Y626 HydrophobicContact CD1-CD1 3.97Å; L436-Y626 HydrophobicContact CD1-CE1 3.68Å; E622-Y626 WeakPolarHBondContact O-CB 3.41Å; E622-Y626 PolarHBondContact O-N 2.79Å; S623-Y626 PolarHBondContact O-N 2.78Å; Y626-C628 PolarHBondContact O-N 2.9Å; Y626-R629 PolarHBondContact O-N 3.15Å; Y626-C630 WeakPolarHBondContact CE1-SG 3.19Å; Y626-C630 WeakPolarHBondContact O-CB 3.44Å; Y626-C630 PolarHBondContact O-N 3.4Å; Y626-C630 PolarHBondContact O-SG 2.88Å
627F96.7Very high94.1Very high0 Ų023.3 Ų23.30%013%0.13CC..Hα-helixtrans-57-47.1175-179.1-92.5000112T432 A435 L436 V464 Y467 S623 V624 E625 C630 S631 L688 I691T432-F627 HydrophobicContact CG2-CB 3.81Å; T432-F627 HydrophobicContact CG2-CD2 4.11Å; T432-F627 HydrophobicContact CG2-CG 4.42Å; A435-F627 HydrophobicContact CB-CD2 4.43Å; A435-F627 HydrophobicContact CB-CE2 3.86Å; L436-F627 HydrophobicContact CD1-CD2 4.46Å; L436-F627 HydrophobicContact CD2-CD2 3.65Å; L436-F627 HydrophobicContact CD2-CE2 3.87Å; L436-F627 HydrophobicContact CD2-CG 4.4Å; L436-F627 HydrophobicContact CG-CD2 3.75Å; L436-F627 HydrophobicContact CG-CE2 4.14Å; V464-F627 HydrophobicContact CG1-CE1 4.19Å; V464-F627 HydrophobicContact CG2-CE1 4.28Å; V464-F627 HydrophobicContact CG2-CZ 4.06Å; Y467-F627 AromaticContact CD1-CD1 3.62Å; Y467-F627 HydrophobicContact CD1-CD1 3.62Å; Y467-F627 HydrophobicContact CD1-CD2 4.18Å; Y467-F627 AromaticContact CD1-CE1 3.65Å; Y467-F627 HydrophobicContact CD1-CE1 3.65Å; Y467-F627 HydrophobicContact CD1-CE2 4.21Å; Y467-F627 AromaticContact CD1-CG 3.9Å; Y467-F627 HydrophobicContact CD1-CG 3.9Å; Y467-F627 AromaticContact CD1-CZ 3.95Å; Y467-F627 HydrophobicContact CD1-CZ 3.95Å; Y467-F627 HydrophobicContact CD2-CD2 4.22Å; Y467-F627 HydrophobicContact CD2-CE2 4.14Å; Y467-F627 HydrophobicContact CE1-CB 3.86Å; Y467-F627 AromaticContact CE1-CD1 3.58Å; Y467-F627 HydrophobicContact CE1-CD1 3.58Å; Y467-F627 HydrophobicContact CE1-CD2 4.02Å; Y467-F627 HydrophobicContact CE1-CE1 4.11Å; Y467-F627 AromaticContact CE1-CG 3.53Å; Y467-F627 HydrophobicContact CE1-CG 3.53Å; Y467-F627 HydrophobicContact CE2-CD2 4.08Å; Y467-F627 HydrophobicContact CE2-CE2 4.46Å; Y467-F627 HydrophobicContact CE2-CG 4.36Å; Y467-F627 HydrophobicContact CG-CD1 4.36Å; Y467-F627 HydrophobicContact CG-CD2 4.26Å; Y467-F627 HydrophobicContact CG-CE1 4.1Å; Y467-F627 HydrophobicContact CG-CE2 4Å; Y467-F627 HydrophobicContact CG-CG 4.44Å; Y467-F627 AromaticContact CG-CZ 3.91Å; Y467-F627 HydrophobicContact CG-CZ 3.91Å; Y467-F627 AromaticContact CZ-CD2 3.95Å; Y467-F627 AromaticContact CZ-CG 3.77Å; S623-F627 WeakPolarHBondContact O-CB 3.29Å; S623-F627 PolarHBondContact O-N 3.14Å; V624-F627 WeakPolarHBondContact O-CB 3.37Å; V624-F627 PolarHBondContact O-N 3.14Å; E625-F627 VanDerWaalsContact C-N 3.32Å; E625-F627 PolarHBondContact O-N 3.2Å; F627-C630 PolarHBondContact O-N 2.8Å; F627-S631 WeakPolarHBondContact O-CB 3.32Å; F627-S631 PolarHBondContact O-N 2.77Å; F627-S631 PolarHBondContact O-OG 3.08Å; F627-L688 HydrophobicContact CE1-CD2 4.17Å; F627-I691 HydrophobicContact CD1-CD1 4.25Å; F627-I691 HydrophobicContact CD1-CG2 4.47Å; F627-I691 HydrophobicContact CE1-CD1 3.96Å
628C96.1Very high93.7Very high0 Ų023.5 Ų23.50%013%0.131CC..Hα-helixtrans-66.6-43.3179.2-71.90000112.2V624 E625 Y626 C630 S631 R632 I691 E692V624-C628 PolarHBondContact O-N 2.86Å; E625-C628 PolarHBondContact O-N 3.48Å; Y626-C628 PolarHBondContact O-N 2.9Å; C628-C630 PolarHBondContact O-N 3.39Å; C628-S631 PolarHBondContact O-N 2.95Å; C628-R632 WeakPolarHBondContact O-CG 3.4Å; C628-R632 PolarHBondContact O-N 3.16Å; C628-I691 VanDerWaalsContact SG-CB 3.56Å; C628-I691 WeakPolarHBondContact SG-CG2 3.41Å; C628-E692 HydrophobicContact CB-CG 3.65Å
629R92.3Very high93.2Very high102 Ų10225.4 Ų25.439%0.38514%0.144SC..Hα-helixtrans-57.6-47.7175.6-173.8177.768.81657.3111.6D423 E625 Y626 S633D423-R629 PolarHBondContact O-NH2 3.27Å; D423-R629 VanDerWaalsContact O-NH2 3.14Å; E625-R629 PolarHBondContact O-N 3.19Å; Y626-R629 PolarHBondContact O-N 3.15Å; R629-S633 WeakPolarHBondContact O-CB 3.35Å; R629-S633 PolarHBondContact O-N 2.97Å
630C92.7Very high92.7Very high0 Ų029.7 Ų29.70%017%0.172CC..Hα-helixtrans-64-47.8177.7-66.30000111.6L421 L436 Y626 F627 C628 R632 S633 I634L421-C630 HydrophobicContact CD2-CB 3.82Å; L436-C630 HydrophobicContact CD1-CB 4.1Å; L436-C630 HydrophobicContact CD2-CB 3.76Å; Y626-C630 WeakPolarHBondContact CE1-SG 3.19Å; Y626-C630 WeakPolarHBondContact O-CB 3.44Å; Y626-C630 PolarHBondContact O-N 3.4Å; Y626-C630 PolarHBondContact O-SG 2.88Å; F627-C630 PolarHBondContact O-N 2.8Å; C628-C630 PolarHBondContact O-N 3.39Å; C630-R632 VanDerWaalsContact C-N 3.3Å; C630-R632 PolarHBondContact O-N 2.85Å; C630-S633 WeakPolarHBondContact O-CB 3.39Å; C630-S633 PolarHBondContact O-N 3.38Å; C630-S633 VanDerWaalsContact O-N 3.15Å; C630-I634 VanDerWaalsContact O-CG1 3.28Å; C630-I634 WeakPolarHBondContact O-CG1 2.98Å; C630-I634 PolarHBondContact O-N 2.88Å
631S93.9Very high92Very high0 Ų034.7 Ų34.70%020%0.195CC..Hα-helixtrans-59.7-39.9-179.9-61.70000112.3F627 C628 L635F627-S631 WeakPolarHBondContact O-CB 3.32Å; F627-S631 PolarHBondContact O-N 2.77Å; F627-S631 PolarHBondContact O-OG 3.08Å; C628-S631 PolarHBondContact O-N 2.95Å; S631-L635 WeakPolarHBondContact O-CB 3.43Å; S631-L635 PolarHBondContact O-N 3.35Å
632R92.4Very high91.6Very high83 Ų8334.7 Ų34.731%0.31320%0.195SC..Hα-helixtrans-70.1-39.8174.2-72.6-151.8-178.189.5-4.4113.4C628 C630 I634 L635 A636 L688 E692C628-R632 WeakPolarHBondContact O-CG 3.4Å; C628-R632 PolarHBondContact O-N 3.16Å; C630-R632 VanDerWaalsContact C-N 3.3Å; C630-R632 PolarHBondContact O-N 2.85Å; R632-I634 VanDerWaalsContact C-N 3.33Å; R632-I634 PolarHBondContact O-N 3.32Å; R632-L635 PolarHBondContact O-N 3.17Å; R632-A636 WeakPolarHBondContact O-CB 3.35Å; R632-A636 PolarHBondContact O-N 2.94Å; R632-L688 HydrophobicContact CG-CD1 3.77Å; R632-E692 IonicContact CZ-OE1 2.76Å; R632-E692 IonicContact CZ-OE2 2.72Å; R632-E692 VanDerWaalsContact CZ-OE2 3.3Å; R632-E692 IonicContact NH1-OE1 3.67Å; R632-E692 PolarHBondContact NH1-OE1 3.32Å; R632-E692 IonicContact NH1-OE2 3.48Å; R632-E692 PolarHBondContact NH1-OE2 3.37Å; R632-E692 IonicContact NH2-OE1 3.77Å; R632-E692 IonicContact NH2-OE2 2.75Å; R632-E692 PolarHBondContact NH2-OE2 3.16Å
633S89.7Confident91Very high67 Ų6738 Ų3847%0.46921%0.207SC..Hα-helixtrans-58.7-46.9174.8-174.40000111R629 C630 L635 A636 S637R629-S633 WeakPolarHBondContact O-CB 3.35Å; R629-S633 PolarHBondContact O-N 2.97Å; C630-S633 WeakPolarHBondContact O-CB 3.39Å; C630-S633 PolarHBondContact O-N 3.38Å; C630-S633 VanDerWaalsContact O-N 3.15Å; S633-L635 PolarHBondContact O-N 3.31Å; S633-A636 PolarHBondContact O-N 2.94Å; S633-S637 PolarHBondContact O-N 3.24Å; S633-S637 PolarHBondContact O-OG 3.46Å
634I90.2Very high90.4Very high19 Ų1940.9 Ų40.910%0.09723%0.228CC..Hα-helixtrans-62-43176.5-65.2166.3000111.2L421 V443 W460 C630 R632 A636 S637 L638L421-I634 HydrophobicContact CD2-CD1 4.13Å; V443-I634 HydrophobicContact CB-CG2 4.21Å; V443-I634 HydrophobicContact CG1-CG2 3.66Å; V443-I634 HydrophobicContact CG2-CG2 3.9Å; W460-I634 HydrophobicContact CH2-CB 4.18Å; W460-I634 HydrophobicContact CH2-CG2 3.81Å; W460-I634 HydrophobicContact CZ2-CB 4.35Å; W460-I634 HydrophobicContact CZ2-CG2 4.11Å; C630-I634 VanDerWaalsContact O-CG1 3.28Å; C630-I634 WeakPolarHBondContact O-CG1 2.98Å; C630-I634 PolarHBondContact O-N 2.88Å; R632-I634 VanDerWaalsContact C-N 3.33Å; R632-I634 PolarHBondContact O-N 3.32Å; I634-A636 VanDerWaalsContact C-N 3.3Å; I634-A636 PolarHBondContact O-N 2.9Å; I634-S637 WeakPolarHBondContact CA-OG 3.27Å; I634-S637 PolarHBondContact O-N 2.91Å; I634-S637 PolarHBondContact O-OG 3.49Å; I634-L638 PolarHBondContact O-N 2.94Å
635L91Very high89.8Confident19 Ų1944.6 Ų44.610%0.09924%0.244CC..Hα-helixtrans-62.1-38.5176.5-178.762.3000112.1F457 W460 S631 R632 S633 L638 F684 L685F457-L635 HydrophobicContact CE2-CD1 3.98Å; F457-L635 HydrophobicContact CZ-CD1 4.42Å; W460-L635 HydrophobicContact CH2-CB 4.02Å; W460-L635 HydrophobicContact CZ3-CB 4.48Å; W460-L635 HydrophobicContact CZ3-CD1 4.22Å; S631-L635 WeakPolarHBondContact O-CB 3.43Å; S631-L635 PolarHBondContact O-N 3.35Å; R632-L635 PolarHBondContact O-N 3.17Å; S633-L635 PolarHBondContact O-N 3.31Å; L635-L638 HydrophobicContact CD1-CD1 3.91Å; L635-F684 HydrophobicContact CD2-CD1 4.13Å; L635-F684 HydrophobicContact CD2-CE1 4.03Å; L635-L685 HydrophobicContact CD2-CD2 3.82Å
636A89Confident89.3Confident65 Ų6543.3 Ų43.354%0.53724%0.238SC..Hα-helixtrans-69.2-36.4176.600000112.1R632 S633 I634 L638 R643R632-A636 WeakPolarHBondContact O-CB 3.35Å; R632-A636 PolarHBondContact O-N 2.94Å; S633-A636 PolarHBondContact O-N 2.94Å; I634-A636 VanDerWaalsContact C-N 3.3Å; I634-A636 PolarHBondContact O-N 2.9Å; A636-L638 VanDerWaalsContact C-N 3.3Å; A636-L638 PolarHBondContact O-N 3.45Å; A636-R643 PolarHBondContact O-NH2 3.44Å
637S87.5Confident88.6Confident91 Ų9151.2 Ų51.264%0.63627%0.267SS*.Hα-helixtrans-77.1-10.4179.9710000114.5S633 I634S633-S637 PolarHBondContact O-N 3.24Å; S633-S637 PolarHBondContact O-OG 3.46Å; I634-S637 WeakPolarHBondContact CA-OG 3.27Å; I634-S637 PolarHBondContact O-N 2.91Å; I634-S637 PolarHBondContact O-OG 3.49Å
638L88Confident87.5Confident4 Ų458 Ų582%0.02130%0.303CS..SBendtrans-55142.5174.8-71.2-175.5000112.2V443 L446 W460 I634 L635 A636 R643 L646V443-L638 HydrophobicContact CG1-CD2 3.83Å; L446-L638 HydrophobicContact CD2-CD1 4.36Å; L446-L638 HydrophobicContact CD2-CD2 3.85Å; W460-L638 HydrophobicContact CZ3-CD1 4.42Å; I634-L638 PolarHBondContact O-N 2.94Å; L635-L638 HydrophobicContact CD1-CD1 3.91Å; A636-L638 VanDerWaalsContact C-N 3.3Å; A636-L638 PolarHBondContact O-N 3.45Å; L638-R643 PolarHBondContact O-NH2 2.86Å; L638-L646 HydrophobicContact CD1-CD1 4.07Å
639P86Confident86.2Confident40 Ų4059.4 Ų59.426%0.2631%0.312SS..  trans-56.1143.8177.3-26.134.2000113.3H641 V642 R643P639-H641 VanDerWaalsContact C-N 3.31Å; P639-H641 WeakPolarHBondContact CB-CE1 3.45Å; P639-H641 PolarHBondContact O-N 2.88Å; P639-V642 HydrophobicContact CB-CG2 4.19Å; P639-V642 HydrophobicContact CG-CG2 4.41Å; P639-V642 WeakPolarHBondContact O-CB 3.03Å; P639-V642 PolarHBondContact O-N 3.33Å; P639-R643 PolarHBondContact O-N 3.34Å
640P85.9Confident84.7Confident94 Ų9459 Ų5961%0.6132%0.32SS*.Hα-helixtrans-60.6-36.7-171.621.7-33.1000113.6V642 R643 S644P640-V642 VanDerWaalsContact C-N 3.33Å; P640-V642 PolarHBondContact O-N 3.44Å; P640-R643 PolarHBondContact O-N 2.98Å; P640-S644 PolarHBondContact O-N 2.82Å; P640-S644 PolarHBondContact O-OG 2.85Å
641H83.3Confident82.6Confident106 Ų10660.3 Ų60.349%0.49133%0.329SS..Hα-helixtrans-68.5-29.4177.466.1-84.6000113.3P639 S644 K645P639-H641 VanDerWaalsContact C-N 3.31Å; P639-H641 WeakPolarHBondContact CB-CE1 3.45Å; P639-H641 PolarHBondContact O-N 2.88Å; H641-S644 WeakPolarHBondContact CA-OG 3.42Å; H641-S644 PolarHBondContact O-OG 3.47Å; H641-K645 WeakPolarHBondContact O-CB 3.48Å; H641-K645 PolarHBondContact O-N 3.17Å
642V86.2Confident80.2Confident1 Ų164.6 Ų64.61%0.00636%0.36CS..Hα-helixtrans-74.3-45.9173.81770000109.2L446 C453 P639 P640 S644 K645 L646L446-V642 HydrophobicContact CD2-CG1 3.58Å; C453-V642 HydrophobicContact CB-CG1 3.97Å; P639-V642 HydrophobicContact CB-CG2 4.19Å; P639-V642 HydrophobicContact CG-CG2 4.41Å; P639-V642 WeakPolarHBondContact O-CB 3.03Å; P639-V642 PolarHBondContact O-N 3.33Å; P640-V642 VanDerWaalsContact C-N 3.33Å; P640-V642 PolarHBondContact O-N 3.44Å; V642-S644 VanDerWaalsContact C-N 3.34Å; V642-S644 PolarHBondContact O-N 3.07Å; V642-K645 PolarHBondContact O-N 2.85Å; V642-L646 HydrophobicContact CG1-CD1 3.89Å; V642-L646 HydrophobicContact CG1-CG 4.22Å; V642-L646 WeakPolarHBondContact O-CG 3.32Å; V642-L646 PolarHBondContact O-N 3.42Å
643R85.6Confident77.6Confident72 Ų7266.8 Ų66.827%0.27238%0.382SS..Hα-helixtrans-60.6-42.3179.5-158.7-173.5-49.9120.8-3.4112.2A636 L638 P639 P640 L646 R647 M681A636-R643 PolarHBondContact O-NH2 3.44Å; L638-R643 PolarHBondContact O-NH2 2.86Å; P639-R643 PolarHBondContact O-N 3.34Å; P640-R643 PolarHBondContact O-N 2.98Å; R643-L646 PolarHBondContact O-N 2.95Å; R643-R647 WeakPolarHBondContact O-CG 3.28Å; R643-R647 PolarHBondContact O-N 2.94Å; R643-M681 HydrophobicContact CG-CE 4.37Å
644S84.3Confident75Confident61 Ų6170.1 Ų70.143%0.42740%0.395SS..Hα-helixtrans-63.6-43.3175.462.40000111.6P640 H641 V642 R647 L648P640-S644 PolarHBondContact O-N 2.82Å; P640-S644 PolarHBondContact O-OG 2.85Å; H641-S644 WeakPolarHBondContact CA-OG 3.42Å; H641-S644 PolarHBondContact O-OG 3.47Å; V642-S644 VanDerWaalsContact C-N 3.34Å; V642-S644 PolarHBondContact O-N 3.07Å; S644-R647 PolarHBondContact O-N 2.94Å; S644-L648 WeakPolarHBondContact O-CG 3.39Å; S644-L648 PolarHBondContact O-N 2.9Å
645K83.3Confident72.3Confident79 Ų7976.7 Ų76.734%0.34342%0.424SS..Hα-helixtrans-63.2-42.8176.9-173.4168.6171.3-172.60112.6P450 S451 H641 V642 R647 L648 T649P450-K645 PolarHBondContact O-NZ 3.48Å; S451-K645 PolarHBondContact O-NZ 3.46Å; H641-K645 WeakPolarHBondContact O-CB 3.48Å; H641-K645 PolarHBondContact O-N 3.17Å; V642-K645 PolarHBondContact O-N 2.85Å; K645-R647 VanDerWaalsContact C-N 3.31Å; K645-R647 PolarHBondContact O-N 3.45Å; K645-L648 PolarHBondContact O-N 3.47Å; K645-T649 WeakPolarHBondContact O-CG2 3.5Å; K645-T649 PolarHBondContact O-N 3.36Å; K645-T649 VanDerWaalsContact O-N 3.11Å
646L85.6Confident69.5Low1 Ų183.4 Ų83.41%0.00546%0.461CS..Hα-helixtrans-65.9-30.8176.7-68.3175.6000113A454 F457 L638 V642 R643 L648 T649 M681A454-L646 HydrophobicContact CB-CD2 4.48Å; F457-L646 HydrophobicContact CB-CD1 4.29Å; F457-L646 HydrophobicContact CB-CD2 3.56Å; F457-L646 HydrophobicContact CD1-CD2 4.25Å; F457-L646 HydrophobicContact CD2-CD1 3.62Å; F457-L646 HydrophobicContact CD2-CD2 4.33Å; F457-L646 HydrophobicContact CE2-CD1 4.11Å; F457-L646 HydrophobicContact CG-CD1 3.95Å; F457-L646 HydrophobicContact CG-CD2 3.8Å; F457-L646 HydrophobicContact CG-CG 4.48Å; L638-L646 HydrophobicContact CD1-CD1 4.07Å; V642-L646 HydrophobicContact CG1-CD1 3.89Å; V642-L646 HydrophobicContact CG1-CG 4.22Å; V642-L646 WeakPolarHBondContact O-CG 3.32Å; V642-L646 PolarHBondContact O-N 3.42Å; R643-L646 PolarHBondContact O-N 2.95Å; L646-L648 VanDerWaalsContact C-N 3.34Å; L646-T649 PolarHBondContact O-OG1 3.3Å; L646-M681 HydrophobicContact CB-CE 3.52Å
647R80.6Confident66.7Low171 Ų17186.5 Ų86.565%0.64547%0.468SS*.Hα-helixtrans-70.3-31.4172.7-77.8-178.8176.1174.4-2.3112.9R643 S644 K645 M681R643-R647 WeakPolarHBondContact O-CG 3.28Å; R643-R647 PolarHBondContact O-N 2.94Å; S644-R647 PolarHBondContact O-N 2.94Å; K645-R647 VanDerWaalsContact C-N 3.31Å; K645-R647 PolarHBondContact O-N 3.45Å; R647-M681 HydrophobicContact CG-CE 3.65Å; R647-M681 HydrophobicContact CG-SD 3.43Å; R647-M681 WeakPolarHBondContact CG-SD 3.36Å
648L73.4Confident64Low142 Ų14291.6 Ų91.674%0.74348%0.482SS*.Hα-helixtrans-84.1-15.2180-65.3174000112.9S644 K645 L646 V650S644-L648 WeakPolarHBondContact O-CG 3.39Å; S644-L648 PolarHBondContact O-N 2.9Å; K645-L648 PolarHBondContact O-N 3.47Å; L646-L648 VanDerWaalsContact C-N 3.34Å; L648-V650 PolarHBondContact O-N 3.33Å; L648-V650 VanDerWaalsContact O-N 3.16Å
649T68.7Low61.2Low31 Ų3199.3 Ų99.319%0.1952%0.518CS..  trans-72110.2173.755.10000109.9A454 K645 L646 S679 P680A454-T649 HydrophobicContact CB-CG2 3.77Å; K645-T649 WeakPolarHBondContact O-CG2 3.5Å; K645-T649 PolarHBondContact O-N 3.36Å; K645-T649 VanDerWaalsContact O-N 3.11Å; L646-T649 PolarHBondContact O-OG1 3.3Å; T649-S679 PolarHBondContact O-OG 3.41Å; T649-P680 VanDerWaalsContact O-CD 3.27Å; T649-P680 WeakPolarHBondContact O-CD 3.46Å
650V60.6Low58.2Low93 Ų93105.4 Ų105.456%0.56455%0.547SS*.  trans-92.3136168.1178.60000107.3L648 S652 A677L648-V650 PolarHBondContact O-N 3.33Å; L648-V650 VanDerWaalsContact O-N 3.16Å; V650-S652 VanDerWaalsContact C-N 3.34Å; V650-S652 PolarHBondContact O-N 2.88Å; V650-A677 HydrophobicContact CG1-CB 3.36Å
651S50Low55.7Low27 Ų27106.5 Ų106.519%0.18956%0.555CS.*  trans-64.494172-75.30000109.4V678 E683S651-V678 VanDerWaalsContact CB-O 3.24Å; S651-V678 WeakPolarHBondContact CB-O 3.33Å; S651-V678 PolarHBondContact OG-O 3.06Å; S651-V678 VanDerWaalsContact OG-O 3.11Å; S651-E683 PolarHBondContact OG-OE1 2.92Å
652S43.2Very low53.1Low91 Ų91110.1 Ų110.164%0.63657%0.572SS**  trans-76.8121.2154.554.90000107V650 D654V650-S652 VanDerWaalsContact C-N 3.34Å; V650-S652 PolarHBondContact O-N 2.88Å; S652-D654 VanDerWaalsContact C-N 3.33Å; S652-D654 PolarHBondContact O-N 3.17Å
653V38.2Very low50.6Low129 Ų129115.3 Ų115.378%0.78261%0.608SS**  trans-63.7102.6163.6178.30000105.4H655V653-H655 VanDerWaalsContact C-N 3.33Å; V653-H655 PolarHBondContact O-N 2.71Å
654D35.4Very low48Very low137 Ų137119.4 Ų119.473%0.73364%0.635SS**  trans-61.1100168-87.4-19.9000106.9S652S652-D654 VanDerWaalsContact C-N 3.33Å; S652-D654 PolarHBondContact O-N 3.17Å
655H33.4Very low45.7Very low156 Ų156125.4 Ų125.472%0.72266%0.656SS**  trans-73.5121.8150.1-106.3-68000105.9V653 D657V653-H655 VanDerWaalsContact C-N 3.33Å; V653-H655 PolarHBondContact O-N 2.71Å; H655-D657 PolarHBondContact O-N 3.24Å
656D31Very low43.1Very low161 Ų161129 Ų12986%0.86168%0.678SS**  trans-58.879.6168.2-68-59.6000109.8
657D31Very low40.6Very low130 Ų130135.1 Ų135.170%0.69572%0.718SS**  trans-105.385.9173.6-85.4-34.3000109.9H655 Q659H655-D657 PolarHBondContact O-N 3.24Å; D657-Q659 PolarHBondContact O-N 3.47Å
658E29.6Very low38.2Very low197 Ų197133.3 Ų133.392%0.92173%0.726SS**  trans-65.569.3154.1-77.2-172.312300110
659Q30.6Very low36.1Very low167 Ų167135.6 Ų135.678%0.7873%0.73SS**  trans-142.194.1165.5-69.9-164.4-17.300111.8D657D657-Q659 PolarHBondContact O-N 3.47Å
660L22.5Very low34.4Very low168 Ų168140.1 Ų140.188%0.8876%0.76SS**  trans-53.1129.5151.3-130.780.4000107.8
661P33.8Very low33Very low117 Ų117143.8 Ų143.876%0.7678%0.775SS**  -149.4157.59934.1-15000115.6
662Q27.3Very low32.5Very low182 Ų182148.2 Ų148.285%0.8580%0.801SS**  trans-47.1131.1173.2-63.8156.2-21.200114.2
663S34Very low32.4Very low110 Ų110150.7 Ų150.777%0.76981%0.807SS**  trans-176.2133.9130.644.10000111.2H665S663-H665 PolarHBondContact O-N 3.04Å
664D31.7Very low32.6Very low158 Ų158148.8 Ų148.885%0.84581%0.814SS**  trans-61.7115.8176.5-66.7-58.9000112
665H35.3Very low33.1Very low186 Ų186150.7 Ų150.786%0.86182%0.82SS**  trans-149.5131153.3-91.5-63.1000111.8S663S663-H665 PolarHBondContact O-N 3.04Å
666L28.6Very low34Very low155 Ų155149 Ų14981%0.81282%0.821SS**  trans-40.8150.4177.1-116.967.3000114.6T668L666-T668 PolarHBondContact O-N 2.77Å
667P33Very low35.3Very low129 Ų129144.2 Ų144.284%0.83880%0.804SS**  trans-74.9100.9-170.830.6-30.6000111.2
668T30.4Very low37.3Very low133 Ų133141 Ų14182%0.81679%0.789SS**  trans-85.2127.1162.743.90000109.2L666L666-T668 PolarHBondContact O-N 2.77Å
669K30.7Very low39.9Very low191 Ų191132.2 Ų132.283%0.8375%0.749SS**  trans-46.4133.2-179.9-75.4169172173.90112L671K669-L671 PolarHBondContact O-N 3.26Å
670P33.1Very low42.6Very low126 Ų126124.9 Ų124.982%0.81872%0.716SS**  trans-73.1103.4174.527.7-28.6000109.6
671L30.8Very low45.9Very low169 Ų169117.5 Ų117.589%0.88568%0.677SS**  trans-101.882.4160.5-74.9170.3000107K669K669-L671 PolarHBondContact O-N 3.26Å
672V39.8Very low48.6Very low120 Ų120116.1 Ų116.173%0.72766%0.663SS**  trans-132.2109.2171.5-179.20000108.5
673N40.6Very low51.7Low143 Ų143110.7 Ų110.777%0.76564%0.638SS**  trans50.680.2152.2-58.34.1000118.1M675N673-M675 PolarHBondContact O-N 3.1Å
674G41.2Very low54.7Low89 Ų89105.4 Ų105.492%0.91860%0.601SS**SBendtrans51.5-10.2130.300000122.9T676G674-T676 PolarHBondContact O-N 2.92Å
675M47.5Very low57.7Low177 Ų177101 Ų10187%0.87258%0.577SS**  trans-91.497.1168.6-72.31747400105.3N673 A677N673-M675 PolarHBondContact O-N 3.1Å; M675-A677 PolarHBondContact O-N 3.33Å
676T51Low60.6Low122 Ų12296.9 Ų96.975%0.74856%0.562SS**  trans-53.2109.6169.448.50000107.1G674 V678G674-T676 PolarHBondContact O-N 2.92Å; T676-V678 WeakPolarHBondContact O-CG2 3.39Å; T676-V678 PolarHBondContact O-N 3.43Å
677A58.5Low63.9Low59 Ų5990 Ų9049%0.48853%0.526SS..  trans-58.7108.6174.500000107.2V650 M675V650-A677 HydrophobicContact CG1-CB 3.36Å; M675-A677 PolarHBondContact O-N 3.33Å
678V72.9Confident67Low64 Ų6483.9 Ų83.939%0.38849%0.486SS..  trans-75.9132.7-177.3-173.40000107.2S651 T676 D682 E683S651-V678 VanDerWaalsContact CB-O 3.24Å; S651-V678 WeakPolarHBondContact CB-O 3.33Å; S651-V678 PolarHBondContact OG-O 3.06Å; S651-V678 VanDerWaalsContact OG-O 3.11Å; T676-V678 WeakPolarHBondContact O-CG2 3.39Å; T676-V678 PolarHBondContact O-N 3.43Å; V678-D682 HydrophobicContact CG1-CB 3.63Å; V678-E683 HydrophobicContact CB-CG 4.13Å; V678-E683 HydrophobicContact CG1-CG 3.69Å
679S85.1Confident70.2Confident11 Ų1179.4 Ų79.48%0.07746%0.463CS..  trans-66.4143.2174-179.30000109.1T649 M681 D682 E683T649-S679 PolarHBondContact O-OG 3.41Å; S679-M681 PolarHBondContact O-N 3.13Å; S679-M681 PolarHBondContact OG-N 3.34Å; S679-D682 WeakPolarHBondContact CB-OD2 3.31Å; S679-D682 WeakPolarHBondContact O-CA 3.43Å; S679-D682 WeakPolarHBondContact O-CB 3.27Å; S679-D682 PolarHBondContact O-N 2.98Å; S679-E683 PolarHBondContact O-N 2.69Å
680P87.5Confident73.4Confident13 Ų1373.7 Ų73.78%0.08444%0.442CS..Hα-helixtrans-52.2-29.9170.8-26.635000113F457 T649 F684F457-P680 HydrophobicContact CD1-CB 4.14Å; F457-P680 HydrophobicContact CE1-CB 4.3Å; T649-P680 VanDerWaalsContact O-CD 3.27Å; T649-P680 WeakPolarHBondContact O-CD 3.46Å; P680-F684 VanDerWaalsContact O-CB 3.32Å; P680-F684 WeakPolarHBondContact O-CB 3.34Å; P680-F684 PolarHBondContact O-N 3.14Å
681M90.2Very high76.5Confident13 Ų1367.7 Ų67.76%0.06440%0.403CS..Hα-helixtrans-66.9-41.5174.9-173.4173.2-6600112R643 L646 R647 S679 F684 L685R643-M681 HydrophobicContact CG-CE 4.37Å; L646-M681 HydrophobicContact CB-CE 3.52Å; R647-M681 HydrophobicContact CG-CE 3.65Å; R647-M681 HydrophobicContact CG-SD 3.43Å; R647-M681 WeakPolarHBondContact CG-SD 3.36Å; S679-M681 PolarHBondContact O-N 3.13Å; S679-M681 PolarHBondContact OG-N 3.34Å; M681-F684 WeakPolarHBondContact O-CB 3Å; M681-F684 PolarHBondContact O-N 3.18Å; M681-L685 HydrophobicContact CG-CD1 4.36Å; M681-L685 VanDerWaalsContact O-CG 3.32Å; M681-L685 WeakPolarHBondContact O-CG 3.33Å; M681-L685 PolarHBondContact O-N 2.98Å
682D91.2Very high79.6Confident89 Ų8962.5 Ų62.548%0.47637%0.374SS..Hα-helixtrans-68.7-41.4177-61.2-36.7000110.5V678 S679 F684 L685 D686V678-D682 HydrophobicContact CG1-CB 3.63Å; S679-D682 WeakPolarHBondContact CB-OD2 3.31Å; S679-D682 WeakPolarHBondContact O-CA 3.43Å; S679-D682 WeakPolarHBondContact O-CB 3.27Å; S679-D682 PolarHBondContact O-N 2.98Å; D682-F684 VanDerWaalsContact C-N 3.27Å; D682-F684 PolarHBondContact O-N 3.23Å; D682-L685 PolarHBondContact O-N 3.48Å; D682-D686 WeakPolarHBondContact O-CB 3.21Å; D682-D686 PolarHBondContact O-N 2.91Å
683E93.6Very high82.3Confident67 Ų6761.1 Ų61.131%0.31336%0.36SS..Hα-helixtrans-57.6-41.2172.5-67.1177.5-15200111.6L461 S651 V678 S679 C687L461-E683 HydrophobicContact CD2-CB 3.9Å; S651-E683 PolarHBondContact OG-OE1 2.92Å; V678-E683 HydrophobicContact CB-CG 4.13Å; V678-E683 HydrophobicContact CG1-CG 3.69Å; S679-E683 PolarHBondContact O-N 2.69Å; E683-C687 VanDerWaalsContact O-CB 3.28Å; E683-C687 WeakPolarHBondContact O-CB 3.34Å; E683-C687 PolarHBondContact O-N 3.16Å
684F95.3Very high84.9Confident0 Ų055.5 Ų55.50%033%0.329CS..Hα-helixtrans-65.3-46.1177.3-176.7-87.9000112.5F457 W460 L461 V464 L635 P680 M681 D682 C687 L688F457-F684 HydrophobicContact CE1-CB 3.93Å; F457-F684 HydrophobicContact CE1-CD2 4.44Å; F457-F684 HydrophobicContact CE1-CG 4.28Å; F457-F684 HydrophobicContact CE2-CD2 4.46Å; F457-F684 HydrophobicContact CE2-CG 4.5Å; F457-F684 HydrophobicContact CZ-CB 3.77Å; F457-F684 HydrophobicContact CZ-CD1 4.14Å; F457-F684 AromaticContact CZ-CD2 3.93Å; F457-F684 HydrophobicContact CZ-CD2 3.93Å; F457-F684 AromaticContact CZ-CG 3.69Å; F457-F684 HydrophobicContact CZ-CG 3.69Å; W460-F684 AromaticContact CD2-CE2 3.61Å; W460-F684 HydrophobicContact CD2-CE2 3.61Å; W460-F684 AromaticContact CD2-CZ 3.91Å; W460-F684 HydrophobicContact CD2-CZ 3.91Å; W460-F684 AromaticContact CE2-CE2 3.58Å; W460-F684 AromaticContact CE2-CZ 3.49Å; W460-F684 VanDerWaalsContact CE2-CZ 3.49Å; W460-F684 HydrophobicContact CE3-CE2 4.03Å; W460-F684 HydrophobicContact CE3-CZ 4.16Å; W460-F684 AromaticContact CG-CE2 3.98Å; W460-F684 HydrophobicContact CG-CE2 3.98Å; W460-F684 HydrophobicContact CH2-CE1 4.3Å; W460-F684 HydrophobicContact CH2-CE2 4.39Å; W460-F684 AromaticContact CH2-CZ 3.72Å; W460-F684 HydrophobicContact CH2-CZ 3.72Å; W460-F684 HydrophobicContact CZ2-CE1 4.35Å; W460-F684 HydrophobicContact CZ2-CE2 4.02Å; W460-F684 AromaticContact CZ2-CZ 3.42Å; W460-F684 HydrophobicContact CZ2-CZ 3.42Å; W460-F684 VanDerWaalsContact CZ2-CZ 3.42Å; W460-F684 HydrophobicContact CZ3-CE2 4.4Å; W460-F684 HydrophobicContact CZ3-CZ 4.07Å; W460-F684 AromaticContact NE1-CE2 3.83Å; W460-F684 AromaticContact NE1-CZ 3.99Å; L461-F684 HydrophobicContact CB-CD2 4.28Å; L461-F684 HydrophobicContact CD1-CB 3.96Å; L461-F684 HydrophobicContact CD1-CD2 4.03Å; L461-F684 HydrophobicContact CD1-CG 4.45Å; V464-F684 HydrophobicContact CB-CE2 4.33Å; V464-F684 HydrophobicContact CG2-CD2 4.34Å; V464-F684 HydrophobicContact CG2-CE2 3.56Å; V464-F684 HydrophobicContact CG2-CZ 4.13Å; L635-F684 HydrophobicContact CD2-CD1 4.13Å; L635-F684 HydrophobicContact CD2-CE1 4.03Å; P680-F684 VanDerWaalsContact O-CB 3.32Å; P680-F684 WeakPolarHBondContact O-CB 3.34Å; P680-F684 PolarHBondContact O-N 3.14Å; M681-F684 WeakPolarHBondContact O-CB 3Å; M681-F684 PolarHBondContact O-N 3.18Å; D682-F684 VanDerWaalsContact C-N 3.27Å; D682-F684 PolarHBondContact O-N 3.23Å; F684-C687 PolarHBondContact O-N 3.22Å; F684-L688 HydrophobicContact CD1-CD1 4.01Å; F684-L688 HydrophobicContact CD1-CG 4.33Å; F684-L688 HydrophobicContact CE1-CD1 3.43Å; F684-L688 VanDerWaalsContact CE1-CD1 3.43Å; F684-L688 HydrophobicContact CE1-CG 4Å; F684-L688 HydrophobicContact CZ-CD1 4.09Å; F684-L688 HydrophobicContact CZ-CG 4.42Å; F684-L688 WeakPolarHBondContact O-CG 3.4Å; F684-L688 PolarHBondContact O-N 3.35Å
685L95.6Very high87.6Confident64 Ų6451.3 Ų51.334%0.33529%0.286SS..Hα-helixtrans-66.8-38.4179-69.5174.7000112L635 M681 D682 L688 A689L635-L685 HydrophobicContact CD2-CD2 3.82Å; M681-L685 HydrophobicContact CG-CD1 4.36Å; M681-L685 VanDerWaalsContact O-CG 3.32Å; M681-L685 WeakPolarHBondContact O-CG 3.33Å; M681-L685 PolarHBondContact O-N 2.98Å; D682-L685 PolarHBondContact O-N 3.48Å; L685-L688 PolarHBondContact O-N 2.81Å; L685-A689 WeakPolarHBondContact O-CB 3.31Å; L685-A689 PolarHBondContact O-N 3.02Å
686D96.1Very high89.8Confident101 Ų10144.7 Ų44.754%0.5426%0.257SS..Hα-helixtrans-65.1-42.1174.3-172.454.8000111.4D682 L688 A689 N690D682-D686 WeakPolarHBondContact O-CB 3.21Å; D682-D686 PolarHBondContact O-N 2.91Å; D686-L688 PolarHBondContact O-N 3.29Å; D686-A689 WeakPolarHBondContact O-CB 3.38Å; D686-A689 PolarHBondContact O-N 2.95Å; D686-A689 VanDerWaalsContact O-N 3.17Å; D686-N690 PolarHBondContact O-N 3.1Å; D686-N690 PolarHBondContact O-ND2 3.41Å; D686-N690 PolarHBondContact OD2-ND2 3.21Å
687C97.9Very high92Very high10 Ų1039.4 Ų39.47%0.06823%0.225CC..Hα-helixtrans-59.8-45.4174.6-164.60000111.7L461 V464 L468 E683 F684 A689 N690 I691L461-C687 HydrophobicContact CD1-CB 4.43Å; V464-C687 HydrophobicContact CG1-CB 4.23Å; L468-C687 VanDerWaalsContact CD2-SG 3.6Å; E683-C687 VanDerWaalsContact O-CB 3.28Å; E683-C687 WeakPolarHBondContact O-CB 3.34Å; E683-C687 PolarHBondContact O-N 3.16Å; F684-C687 PolarHBondContact O-N 3.22Å; C687-A689 PolarHBondContact O-N 3.27Å; C687-N690 PolarHBondContact O-N 3.19Å; C687-I691 VanDerWaalsContact O-CG1 3.3Å; C687-I691 WeakPolarHBondContact O-CG1 3.24Å; C687-I691 PolarHBondContact O-N 2.87Å; C687-I691 VanDerWaalsContact O-N 3.07Å
688L97.8Very high93.8Very high0 Ų036.6 Ų36.60%020%0.202CC..Hα-helixtrans-61.8-40.9173.8-69.6-174.1000112.5V464 F627 R632 F684 L685 D686 N690 I691 E692V464-L688 HydrophobicContact CG1-CD2 3.83Å; F627-L688 HydrophobicContact CE1-CD2 4.17Å; R632-L688 HydrophobicContact CG-CD1 3.77Å; F684-L688 HydrophobicContact CD1-CD1 4.01Å; F684-L688 HydrophobicContact CD1-CG 4.33Å; F684-L688 HydrophobicContact CE1-CD1 3.43Å; F684-L688 VanDerWaalsContact CE1-CD1 3.43Å; F684-L688 HydrophobicContact CE1-CG 4Å; F684-L688 HydrophobicContact CZ-CD1 4.09Å; F684-L688 HydrophobicContact CZ-CG 4.42Å; F684-L688 WeakPolarHBondContact O-CG 3.4Å; F684-L688 PolarHBondContact O-N 3.35Å; L685-L688 PolarHBondContact O-N 2.81Å; D686-L688 PolarHBondContact O-N 3.29Å; L688-N690 VanDerWaalsContact C-N 3.32Å; L688-N690 PolarHBondContact O-N 3.06Å; L688-I691 HydrophobicContact CD2-CD1 4.25Å; L688-I691 WeakPolarHBondContact O-CB 3.28Å; L688-I691 PolarHBondContact O-N 3.49Å; L688-E692 WeakPolarHBondContact O-CG 3.43Å; L688-E692 PolarHBondContact O-N 2.97Å
689A97.2Very high94.9Very high40 Ų4034 Ų3433%0.33119%0.185SC..Hα-helixtrans-62.3-39.517700000111.9L685 D686 C687 I691 E692 Q693L685-A689 WeakPolarHBondContact O-CB 3.31Å; L685-A689 PolarHBondContact O-N 3.02Å; D686-A689 WeakPolarHBondContact O-CB 3.38Å; D686-A689 PolarHBondContact O-N 2.95Å; D686-A689 VanDerWaalsContact O-N 3.17Å; C687-A689 PolarHBondContact O-N 3.27Å; A689-I691 VanDerWaalsContact C-N 3.35Å; A689-I691 PolarHBondContact O-N 3.41Å; A689-E692 PolarHBondContact O-N 2.6Å; A689-Q693 WeakPolarHBondContact O-CB 3.43Å; A689-Q693 PolarHBondContact O-N 3.43Å
690N98Very high95.4Very high71 Ų7133.4 Ų33.438%0.3818%0.182SC..Hα-helixtrans-63.7-39.3174.3-72.2-48.5000112.2L468 D686 C687 L688 Q693 L694L468-N690 HydrophobicContact CD1-CB 4.1Å; L468-N690 HydrophobicContact CD2-CB 3.89Å; D686-N690 PolarHBondContact O-N 3.1Å; D686-N690 PolarHBondContact O-ND2 3.41Å; D686-N690 PolarHBondContact OD2-ND2 3.21Å; C687-N690 PolarHBondContact O-N 3.19Å; L688-N690 VanDerWaalsContact C-N 3.32Å; L688-N690 PolarHBondContact O-N 3.06Å; N690-Q693 PolarHBondContact O-N 3.15Å; N690-L694 PolarHBondContact O-N 3.36Å
691I98.1Very high95.8Very high0 Ų032.8 Ų32.80%018%0.178CC..Hα-helixtrans-64.6-44.4174.6-64.7166.6000110.5V464 Y467 L468 V624 F627 C628 C687 L688 A689 Q693 L694 A695V464-I691 HydrophobicContact CG1-CD1 3.72Å; Y467-I691 HydrophobicContact CD1-CD1 3.97Å; Y467-I691 HydrophobicContact CD1-CG2 4.29Å; Y467-I691 HydrophobicContact CE1-CG2 3.97Å; L468-I691 HydrophobicContact CB-CD1 4.01Å; L468-I691 HydrophobicContact CB-CG1 3.7Å; L468-I691 HydrophobicContact CD1-CG1 3.65Å; L468-I691 HydrophobicContact CG-CG1 4.14Å; V624-I691 HydrophobicContact CG1-CG2 3.34Å; V624-I691 WeakPolarHBondContact CG1-O 3.45Å; F627-I691 HydrophobicContact CD1-CD1 4.25Å; F627-I691 HydrophobicContact CD1-CG2 4.47Å; F627-I691 HydrophobicContact CE1-CD1 3.96Å; C628-I691 VanDerWaalsContact SG-CB 3.56Å; C628-I691 WeakPolarHBondContact SG-CG2 3.41Å; C687-I691 VanDerWaalsContact O-CG1 3.3Å; C687-I691 WeakPolarHBondContact O-CG1 3.24Å; C687-I691 PolarHBondContact O-N 2.87Å; C687-I691 VanDerWaalsContact O-N 3.07Å; L688-I691 HydrophobicContact CD2-CD1 4.25Å; L688-I691 WeakPolarHBondContact O-CB 3.28Å; L688-I691 PolarHBondContact O-N 3.49Å; A689-I691 VanDerWaalsContact C-N 3.35Å; A689-I691 PolarHBondContact O-N 3.41Å; I691-Q693 VanDerWaalsContact C-N 3.29Å; I691-Q693 PolarHBondContact O-N 3.25Å; I691-L694 WeakPolarHBondContact O-CB 3.37Å; I691-L694 PolarHBondContact O-N 3.25Å; I691-L694 VanDerWaalsContact O-N 3.1Å; I691-A695 PolarHBondContact O-N 3.07Å
692E96.1Very high96.1Very high59 Ų5932.4 Ų32.428%0.27618%0.176SC..Hα-helixtrans-64.2-33.4176.2-71.2-177134.900113.5C628 R632 L688 A689 L694 A695 S696C628-E692 HydrophobicContact CB-CG 3.65Å; R632-E692 IonicContact CZ-OE1 2.76Å; R632-E692 IonicContact CZ-OE2 2.72Å; R632-E692 VanDerWaalsContact CZ-OE2 3.3Å; R632-E692 IonicContact NH1-OE1 3.67Å; R632-E692 PolarHBondContact NH1-OE1 3.32Å; R632-E692 IonicContact NH1-OE2 3.48Å; R632-E692 PolarHBondContact NH1-OE2 3.37Å; R632-E692 IonicContact NH2-OE1 3.77Å; R632-E692 IonicContact NH2-OE2 2.75Å; R632-E692 PolarHBondContact NH2-OE2 3.16Å; L688-E692 WeakPolarHBondContact O-CG 3.43Å; L688-E692 PolarHBondContact O-N 2.97Å; A689-E692 PolarHBondContact O-N 2.6Å; E692-L694 VanDerWaalsContact C-N 3.26Å; E692-L694 PolarHBondContact O-N 2.96Å; E692-A695 PolarHBondContact O-N 2.99Å; E692-S696 WeakPolarHBondContact O-CB 3.35Å; E692-S696 PolarHBondContact O-N 3.21Å; E692-S696 PolarHBondContact O-OG 3.17Å
693Q96Very high96.3Very high92 Ų9228.2 Ų28.243%0.4315%0.153SC..Hα-helixtrans-63.6-35.3174.2-178.161.129.200110.9A689 N690 I691 S696 T697A689-Q693 WeakPolarHBondContact O-CB 3.43Å; A689-Q693 PolarHBondContact O-N 3.43Å; N690-Q693 PolarHBondContact O-N 3.15Å; I691-Q693 VanDerWaalsContact C-N 3.29Å; I691-Q693 PolarHBondContact O-N 3.25Å; Q693-S696 PolarHBondContact O-N 3.28Å; Q693-T697 PolarHBondContact NE2-OG1 2.81Å; Q693-T697 VanDerWaalsContact NE2-OG1 3.11Å; Q693-T697 VanDerWaalsContact O-CB 3.27Å; Q693-T697 WeakPolarHBondContact O-CB 3.24Å; Q693-T697 PolarHBondContact O-N 3.01Å; Q693-T697 PolarHBondContact O-OG1 3.26Å
694L97Very high96.4Very high24 Ų2425 Ų2513%0.12614%0.138CC..Hα-helixtrans-63.2-46.8172.3-63.8175000111.5L468 A471 Y475 F620 V624 N690 I691 E692 S696 T697 C698L468-L694 HydrophobicContact CD1-CD1 3.97Å; A471-L694 HydrophobicContact CB-CD1 3.96Å; Y475-L694 HydrophobicContact CD1-CD2 4.17Å; Y475-L694 HydrophobicContact CG-CD2 4.23Å; F620-L694 HydrophobicContact CE1-CB 4.34Å; F620-L694 HydrophobicContact CZ-CB 4.44Å; V624-L694 HydrophobicContact CG1-CB 4.46Å; N690-L694 PolarHBondContact O-N 3.36Å; I691-L694 WeakPolarHBondContact O-CB 3.37Å; I691-L694 PolarHBondContact O-N 3.25Å; I691-L694 VanDerWaalsContact O-N 3.1Å; E692-L694 VanDerWaalsContact C-N 3.26Å; E692-L694 PolarHBondContact O-N 2.96Å; L694-S696 PolarHBondContact O-N 2.95Å; L694-T697 PolarHBondContact O-N 3.02Å; L694-C698 VanDerWaalsContact O-CB 3.29Å; L694-C698 WeakPolarHBondContact O-CB 3.42Å; L694-C698 PolarHBondContact O-N 3.46Å
695A96.3Very high96.4Very high2 Ų225.1 Ų25.12%0.01714%0.139CC..Hα-helixtrans-59.8-46.4176.700000111.5V624 E625 I691 E692 T697 C698 L699V624-A695 HydrophobicContact CB-CB 4.24Å; V624-A695 HydrophobicContact CG1-CB 3.91Å; E625-A695 HydrophobicContact CB-CB 4.15Å; I691-A695 PolarHBondContact O-N 3.07Å; E692-A695 PolarHBondContact O-N 2.99Å; A695-T697 PolarHBondContact O-N 3.22Å; A695-C698 PolarHBondContact O-N 3.35Å; A695-L699 PolarHBondContact O-N 3.48Å
696S95.5Very high96.4Very high38 Ų3822.1 Ų22.127%0.26612%0.123SC..Hα-helixtrans-62.3-43.9177.4-63.60000112.2W533 E692 Q693 L694 L699 L700W533-S696 VanDerWaalsContact CH2-O 3.28Å; W533-S696 WeakPolarHBondContact CH2-O 3.5Å; E692-S696 WeakPolarHBondContact O-CB 3.35Å; E692-S696 PolarHBondContact O-N 3.21Å; E692-S696 PolarHBondContact O-OG 3.17Å; Q693-S696 PolarHBondContact O-N 3.28Å; L694-S696 PolarHBondContact O-N 2.95Å; S696-L699 PolarHBondContact O-N 3.21Å; S696-L700 PolarHBondContact O-N 2.9Å; S696-L700 VanDerWaalsContact O-N 3.09Å
697T95.7Very high96.4Very high11 Ų1117.4 Ų17.47%0.06710%0.098CC..Hα-helixtrans-67.9-39.1179.7-51.80000110.8Y475 A518 T519 Q693 L694 A695 L700 M701Y475-T697 HydrophobicContact CE1-CG2 4.47Å; Y475-T697 VanDerWaalsContact OH-CG2 3.23Å; Y475-T697 WeakPolarHBondContact OH-CG2 3.45Å; A518-T697 HydrophobicContact CB-CG2 3.93Å; T519-T697 HydrophobicContact CG2-CG2 3.87Å; Q693-T697 PolarHBondContact NE2-OG1 2.81Å; Q693-T697 VanDerWaalsContact NE2-OG1 3.11Å; Q693-T697 VanDerWaalsContact O-CB 3.27Å; Q693-T697 WeakPolarHBondContact O-CB 3.24Å; Q693-T697 PolarHBondContact O-N 3.01Å; Q693-T697 PolarHBondContact O-OG1 3.26Å; L694-T697 PolarHBondContact O-N 3.02Å; A695-T697 PolarHBondContact O-N 3.22Å; T697-L700 PolarHBondContact O-N 2.87Å; T697-M701 WeakPolarHBondContact O-CB 3.48Å; T697-M701 PolarHBondContact O-N 3.47Å
698C96.2Very high96.3Very high0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-61.2-45.6175-170.70000112.3Y475 L617 F620 Q621 L694 A695 L700 M701 L702Y475-C698 HydrophobicContact CD2-CB 4.16Å; Y475-C698 HydrophobicContact CE2-CB 3.78Å; L617-C698 PolarHBondContact O-SG 3.47Å; L617-C698 VanDerWaalsContact O-SG 3.34Å; F620-C698 HydrophobicContact CD1-CB 4.27Å; Q621-C698 HydrophobicContact CB-CB 4.35Å; Q621-C698 HydrophobicContact CG-CB 4.47Å; L694-C698 VanDerWaalsContact O-CB 3.29Å; L694-C698 WeakPolarHBondContact O-CB 3.42Å; L694-C698 PolarHBondContact O-N 3.46Å; A695-C698 PolarHBondContact O-N 3.35Å; C698-L700 PolarHBondContact O-N 3.1Å; C698-M701 WeakPolarHBondContact O-CB 3.26Å; C698-M701 PolarHBondContact O-N 2.74Å; C698-L702 PolarHBondContact O-N 2.96Å
699L96.8Very high96.1Very high8 Ų817.1 Ų17.14%0.04210%0.095CC..Hα-helixtrans-61.8-44.3177.6-17858.7000112W533 L536 Q621 A695 S696 M701 L702 H703 L752 K756 Y759 I760W533-L699 HydrophobicContact CH2-CB 4.41Å; W533-L699 HydrophobicContact CH2-CD2 4.33Å; W533-L699 HydrophobicContact CZ3-CD2 4.23Å; W533-L699 HydrophobicContact CZ3-CG 4.26Å; L536-L699 HydrophobicContact CD2-CD2 3.66Å; Q621-L699 HydrophobicContact CG-CB 3.87Å; A695-L699 PolarHBondContact O-N 3.48Å; S696-L699 PolarHBondContact O-N 3.21Å; L699-M701 VanDerWaalsContact C-N 3.31Å; L699-M701 PolarHBondContact O-N 3.28Å; L699-L702 PolarHBondContact O-N 2.73Å; L699-H703 WeakPolarHBondContact O-CB 3.27Å; L699-H703 PolarHBondContact O-N 3.46Å; L699-H703 VanDerWaalsContact O-N 3.09Å; L699-L752 HydrophobicContact CD1-CD2 4.4Å; L699-K756 HydrophobicContact CD1-CB 4.02Å; L699-K756 HydrophobicContact CD1-CG 4.43Å; L699-K756 HydrophobicContact CD2-CD 4.41Å; L699-K756 HydrophobicContact CD2-CG 4.26Å; L699-Y759 HydrophobicContact CD1-CD1 4.28Å; L699-Y759 HydrophobicContact CD2-CD1 4.5Å; L699-Y759 HydrophobicContact CG-CD1 4.19Å; L699-Y759 HydrophobicContact CG-CE1 4.22Å; L699-I760 HydrophobicContact CD1-CD1 4.44Å
700L96.2Very high96.1Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-63-38.5176-177.861.6000111.8A518 L527 K528 W533 S696 T697 C698 H703 L704A518-L700 HydrophobicContact CB-CB 4.42Å; A518-L700 HydrophobicContact CB-CD2 4.39Å; A518-L700 HydrophobicContact CB-CG 4.29Å; L527-L700 HydrophobicContact CB-CD1 4.04Å; L527-L700 HydrophobicContact CD1-CD1 4.01Å; K528-L700 HydrophobicContact CG-CD2 4.43Å; W533-L700 HydrophobicContact CH2-CB 4.25Å; W533-L700 HydrophobicContact CZ3-CB 4.05Å; W533-L700 HydrophobicContact CZ3-CD1 4.45Å; S696-L700 PolarHBondContact O-N 2.9Å; S696-L700 VanDerWaalsContact O-N 3.09Å; T697-L700 PolarHBondContact O-N 2.87Å; C698-L700 PolarHBondContact O-N 3.1Å; L700-H703 PolarHBondContact O-N 3.11Å; L700-L704 HydrophobicContact CD1-CD1 4.39Å; L700-L704 HydrophobicContact CD1-CG 4.4Å; L700-L704 HydrophobicContact CG-CD1 4.04Å; L700-L704 HydrophobicContact CG-CG 4.49Å; L700-L704 WeakPolarHBondContact O-CB 3.39Å; L700-L704 WeakPolarHBondContact O-CG 3.19Å; L700-L704 PolarHBondContact O-N 3.43Å
701M95.3Very high96Very high0 Ų011.9 Ų11.90%06%0.062CC..Hα-helixtrans-62.5-44.6176-177.7-178.664.800111.9Y475 A518 L607 L617 T697 C698 L699 H703 L704 E705Y475-M701 HydrophobicContact CE2-CE 4.22Å; A518-M701 HydrophobicContact CB-CB 3.81Å; L607-M701 HydrophobicContact CD1-CE 4.44Å; L607-M701 HydrophobicContact CD1-CG 4.12Å; L607-M701 HydrophobicContact CD1-SD 4.06Å; L617-M701 HydrophobicContact CD1-CE 3.73Å; L617-M701 HydrophobicContact CD2-CE 3.43Å; L617-M701 VanDerWaalsContact CD2-CE 3.43Å; L617-M701 HydrophobicContact CG-CE 4.19Å; T697-M701 WeakPolarHBondContact O-CB 3.48Å; T697-M701 PolarHBondContact O-N 3.47Å; C698-M701 WeakPolarHBondContact O-CB 3.26Å; C698-M701 PolarHBondContact O-N 2.74Å; L699-M701 VanDerWaalsContact C-N 3.31Å; L699-M701 PolarHBondContact O-N 3.28Å; M701-H703 VanDerWaalsContact C-N 3.33Å; M701-H703 PolarHBondContact O-N 2.96Å; M701-L704 PolarHBondContact O-N 3.43Å; M701-E705 WeakPolarHBondContact O-CB 3.48Å; M701-E705 PolarHBondContact O-N 2.81Å
702L95.9Very high95.8Very high5 Ų514.1 Ų14.13%0.0267%0.071CC..Hα-helixtrans-60.9-43.5176.2-71.2172.2000111.8F614 L617 A618 C698 L699 E705 A706 L748 I760F614-L702 HydrophobicContact CD1-CD2 3.83Å; F614-L702 HydrophobicContact CE1-CD2 4.33Å; L617-L702 HydrophobicContact CB-CD2 4.03Å; L617-L702 HydrophobicContact CD1-CD2 4.29Å; A618-L702 HydrophobicContact CB-CD1 4.48Å; C698-L702 PolarHBondContact O-N 2.96Å; L699-L702 PolarHBondContact O-N 2.73Å; L702-E705 PolarHBondContact O-N 2.96Å; L702-A706 PolarHBondContact O-N 2.87Å; L702-L748 HydrophobicContact CD1-CD2 4.44Å; L702-I760 HydrophobicContact CB-CD1 3.83Å; L702-I760 HydrophobicContact CB-CG1 4.37Å; L702-I760 HydrophobicContact CD1-CD1 4.39Å
703H96Very high95.8Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-62.8-43.2176.3166.9100.4000112.5E587 L699 L700 M701 R707 Y759 I760E587-H703 IonicContact OE1-CE1 3.23Å; E587-H703 PolarHBondContact OE1-CE1 2.75Å; E587-H703 IonicContact OE1-NE2 3.02Å; E587-H703 PolarHBondContact OE1-NE2 3.06Å; L699-H703 WeakPolarHBondContact O-CB 3.27Å; L699-H703 PolarHBondContact O-N 3.46Å; L699-H703 VanDerWaalsContact O-N 3.09Å; L700-H703 PolarHBondContact O-N 3.11Å; M701-H703 VanDerWaalsContact C-N 3.33Å; M701-H703 PolarHBondContact O-N 2.96Å; H703-R707 PolarHBondContact CE1-NE 3.12Å; H703-R707 PolarHBondContact CE1-NH1 2.82Å; H703-R707 VanDerWaalsContact CE1-NH1 3.32Å; H703-R707 PolarHBondContact CE1-NH2 3.24Å; H703-R707 VanDerWaalsContact ND1-CZ 3.31Å; H703-R707 PolarHBondContact ND1-NH1 3.14Å; H703-R707 VanDerWaalsContact ND1-NH1 3.14Å; H703-R707 PolarHBondContact NE2-NE 3.43Å; H703-R707 PolarHBondContact NE2-NH2 3.03Å; H703-R707 WeakPolarHBondContact O-CD 3.21Å; H703-R707 PolarHBondContact O-NH1 3.2Å; H703-Y759 HydrophobicContact CB-CD1 4.15Å; H703-Y759 HydrophobicContact CB-CE1 3.48Å; H703-Y759 VanDerWaalsContact CB-CE1 3.48Å; H703-Y759 AromaticContact CD2-CZ 3.84Å; H703-Y759 PolarHBondContact CD2-OH 3.29Å; H703-Y759 VanDerWaalsContact CD2-OH 3.26Å; H703-Y759 AromaticContact CE1-CE2 3.48Å; H703-Y759 VanDerWaalsContact CE1-CE2 3.48Å; H703-Y759 WeakPolarHBondContact CE1-CE2 3.37Å; H703-Y759 AromaticContact CE1-CZ 3.36Å; H703-Y759 PolarHBondContact CE1-O 3.09Å; H703-Y759 PolarHBondContact CE1-OH 2.87Å; H703-Y759 AromaticContact CG-CE1 3.51Å; H703-Y759 AromaticContact CG-CZ 3.51Å; H703-Y759 AromaticContact ND1-CD1 3.86Å; H703-Y759 AromaticContact ND1-CE1 3.41Å; H703-Y759 WeakPolarHBondContact ND1-CE1 3.45Å; H703-Y759 AromaticContact ND1-CE2 3.62Å; H703-Y759 AromaticContact ND1-CZ 3.23Å; H703-Y759 PolarHBondContact ND1-O 2.97Å; H703-Y759 PolarHBondContact ND1-OH 2.99Å; H703-Y759 AromaticContact NE2-CZ 3.74Å; H703-Y759 PolarHBondContact NE2-OH 2.94Å; H703-I760 HydrophobicContact CB-CG1 4.23Å
704L95.5Very high95.7Very high1 Ų17.6 Ų7.61%0.0054%0.04CC..Hα-helixtrans-66.1-38.6175.3-79.6171.2000112.5W517 A518 L527 L591 L700 M701 A706 R707 V708W517-L704 HydrophobicContact CB-CD1 3.66Å; W517-L704 HydrophobicContact CE3-CD2 3.93Å; A518-L704 HydrophobicContact CB-CD1 4.17Å; L527-L704 HydrophobicContact CD1-CD1 4.22Å; L527-L704 HydrophobicContact CD1-CD2 3.62Å; L527-L704 HydrophobicContact CD1-CG 4.15Å; L591-L704 HydrophobicContact CD2-CD2 3.93Å; L700-L704 HydrophobicContact CD1-CD1 4.39Å; L700-L704 HydrophobicContact CD1-CG 4.4Å; L700-L704 HydrophobicContact CG-CD1 4.04Å; L700-L704 HydrophobicContact CG-CG 4.49Å; L700-L704 WeakPolarHBondContact O-CB 3.39Å; L700-L704 WeakPolarHBondContact O-CG 3.19Å; L700-L704 PolarHBondContact O-N 3.43Å; M701-L704 PolarHBondContact O-N 3.43Å; L704-A706 VanDerWaalsContact C-N 3.34Å; L704-A706 PolarHBondContact O-N 2.72Å; L704-R707 WeakPolarHBondContact O-CA 3.36Å; L704-R707 WeakPolarHBondContact O-CB 3.34Å; L704-R707 PolarHBondContact O-N 3.38Å; L704-V708 WeakPolarHBondContact O-CG2 3.3Å; L704-V708 PolarHBondContact O-N 3.16Å
705E95.1Very high95.5Very high1 Ų16.6 Ų6.61%0.0054%0.035CC..Hα-helixtrans-60.5-43.4-179.3-168.564.9-163.800111.7S514 L607 F614 M701 L702 R707 V708 H709S514-E705 WeakPolarHBondContact CB-OE2 3.38Å; S514-E705 PolarHBondContact OG-OE2 3.49Å; L607-E705 HydrophobicContact CB-CG 4.33Å; L607-E705 WeakPolarHBondContact CB-OE1 3.13Å; L607-E705 HydrophobicContact CD1-CB 4.45Å; L607-E705 HydrophobicContact CD1-CG 4.14Å; L607-E705 WeakPolarHBondContact CD1-OE2 3.29Å; L607-E705 PolarHBondContact N-OE1 2.79Å; F614-E705 HydrophobicContact CE1-CB 4.31Å; F614-E705 HydrophobicContact CE1-CG 3.73Å; F614-E705 HydrophobicContact CZ-CG 3.69Å; M701-E705 WeakPolarHBondContact O-CB 3.48Å; M701-E705 PolarHBondContact O-N 2.81Å; L702-E705 PolarHBondContact O-N 2.96Å; E705-R707 PolarHBondContact O-N 3.27Å; E705-V708 PolarHBondContact O-N 2.93Å; E705-V708 VanDerWaalsContact O-N 3.15Å; E705-H709 PolarHBondContact O-CD2 3.32Å; E705-H709 VanDerWaalsContact O-CD2 3.31Å; E705-H709 PolarHBondContact O-N 2.95Å; E705-H709 IonicContact OE1-CD2 3.23Å; E705-H709 IonicContact OE1-NE2 2.81Å
706A96.2Very high95.2Very high1 Ų17.9 Ų7.91%0.0084%0.043CC..Hα-helixtrans-56.9-37.1174.500000112.5L702 L704 C710 I760 L764L702-A706 PolarHBondContact O-N 2.87Å; L704-A706 VanDerWaalsContact C-N 3.34Å; L704-A706 PolarHBondContact O-N 2.72Å; A706-C710 PolarHBondContact O-N 2.78Å; A706-C710 PolarHBondContact O-SG 3.22Å; A706-C710 VanDerWaalsContact O-SG 3.36Å; A706-I760 HydrophobicContact CB-CG2 4.08Å; A706-L764 HydrophobicContact CB-CD2 4.49Å
707R96Very high94.9Very high2 Ų26.5 Ų6.51%0.0083%0.033CC..Hα-helixtrans-72.4-42.2176.9-67.3150.4171.856.216.9111.9E587 L591 H703 L704 E705 H709 C710 F711 I760 E762 L764 L767E587-R707 VanDerWaalsContact CD-NE 3.33Å; E587-R707 VanDerWaalsContact CD-NH2 3.29Å; E587-R707 IonicContact OE1-CZ 3.12Å; E587-R707 VanDerWaalsContact OE1-CZ 3.23Å; E587-R707 IonicContact OE1-NE 2.66Å; E587-R707 PolarHBondContact OE1-NE 2.97Å; E587-R707 IonicContact OE1-NH2 3.24Å; E587-R707 PolarHBondContact OE1-NH2 3.19Å; E587-R707 IonicContact OE2-CZ 3.88Å; E587-R707 IonicContact OE2-NE 3.71Å; E587-R707 IonicContact OE2-NH2 3.37Å; E587-R707 PolarHBondContact OE2-NH2 2.64Å; L591-R707 HydrophobicContact CD1-CB 4.06Å; L591-R707 HydrophobicContact CD1-CG 3.89Å; H703-R707 PolarHBondContact CE1-NE 3.12Å; H703-R707 PolarHBondContact CE1-NH1 2.82Å; H703-R707 VanDerWaalsContact CE1-NH1 3.32Å; H703-R707 PolarHBondContact CE1-NH2 3.24Å; H703-R707 VanDerWaalsContact ND1-CZ 3.31Å; H703-R707 PolarHBondContact ND1-NH1 3.14Å; H703-R707 VanDerWaalsContact ND1-NH1 3.14Å; H703-R707 PolarHBondContact NE2-NE 3.43Å; H703-R707 PolarHBondContact NE2-NH2 3.03Å; H703-R707 WeakPolarHBondContact O-CD 3.21Å; H703-R707 PolarHBondContact O-NH1 3.2Å; L704-R707 WeakPolarHBondContact O-CA 3.36Å; L704-R707 WeakPolarHBondContact O-CB 3.34Å; L704-R707 PolarHBondContact O-N 3.38Å; E705-R707 PolarHBondContact O-N 3.27Å; R707-H709 VanDerWaalsContact C-N 3.26Å; R707-H709 PolarHBondContact O-N 3.41Å; R707-C710 VanDerWaalsContact O-CB 3.24Å; R707-C710 WeakPolarHBondContact O-CB 3.29Å; R707-C710 PolarHBondContact O-N 3.4Å; R707-F711 VanDerWaalsContact O-CD2 3.24Å; R707-F711 WeakPolarHBondContact O-CD2 3.5Å; R707-F711 PolarHBondContact O-N 2.87Å; R707-I760 PolarHBondContact NH1-O 3.2Å; R707-E762 PolarHBondContact NH2-O 3.45Å; R707-L764 HydrophobicContact CG-CD2 3.97Å; R707-L767 HydrophobicContact CB-CD2 3.75Å; R707-L767 HydrophobicContact CG-CD2 3.73Å
708V95Very high94.3Very high1 Ų16.4 Ų6.41%0.0063%0.032CC..Hα-helixtrans-60.9-37.3176.9177.50000110.6I513 L595 I601 L606 L704 E705 C710 F711 Y712I513-V708 HydrophobicContact CB-CG1 4.36Å; I513-V708 HydrophobicContact CB-CG2 4.23Å; I513-V708 HydrophobicContact CD1-CG1 4.3Å; I513-V708 HydrophobicContact CG2-CG1 4.46Å; I513-V708 HydrophobicContact CG2-CG2 3.7Å; L595-V708 HydrophobicContact CD1-CG2 4.27Å; I601-V708 HydrophobicContact CD1-CG1 4.2Å; L606-V708 HydrophobicContact CD2-CB 4.49Å; L606-V708 HydrophobicContact CD2-CG1 3.42Å; L606-V708 VanDerWaalsContact CD2-CG1 3.42Å; L704-V708 WeakPolarHBondContact O-CG2 3.3Å; L704-V708 PolarHBondContact O-N 3.16Å; E705-V708 PolarHBondContact O-N 2.93Å; E705-V708 VanDerWaalsContact O-N 3.15Å; V708-C710 VanDerWaalsContact C-N 3.29Å; V708-C710 PolarHBondContact O-N 3.39Å; V708-F711 PolarHBondContact O-N 3.46Å; V708-Y712 WeakPolarHBondContact O-CB 3.39Å; V708-Y712 PolarHBondContact O-N 3.36Å
709H95Very high93.7Very high3 Ų39.6 Ų9.61%0.0144%0.044CC..Hα-helixtrans-59.5-36.7172.5-88.9-98.8000113F609 E705 R707 Y712 H713 L737 D740F609-H709 AromaticContact CD2-CE1 3.75Å; E705-H709 PolarHBondContact O-CD2 3.32Å; E705-H709 VanDerWaalsContact O-CD2 3.31Å; E705-H709 PolarHBondContact O-N 2.95Å; E705-H709 IonicContact OE1-CD2 3.23Å; E705-H709 IonicContact OE1-NE2 2.81Å; R707-H709 VanDerWaalsContact C-N 3.26Å; R707-H709 PolarHBondContact O-N 3.41Å; H709-Y712 PolarHBondContact O-N 3.2Å; H709-H713 PolarHBondContact O-CD2 3.3Å; H709-H713 VanDerWaalsContact O-CD2 3.3Å; H709-H713 PolarHBondContact O-N 3.21Å; H709-L737 HydrophobicContact CB-CD1 4.37Å; H709-D740 IonicContact CE1-OD2 2.81Å; H709-D740 PolarHBondContact CE1-OD2 3.28Å; H709-D740 VanDerWaalsContact CE1-OD2 3.31Å; H709-D740 IonicContact ND1-OD2 3.13Å; H709-D740 PolarHBondContact ND1-OD2 3.1Å
710C96.7Very high92.8Very high0 Ų012 Ų120%06%0.055CC..Hα-helixtrans-61.2-47.7174.4-59.90000110.9A706 R707 V708 L714 L767 I768 I771A706-C710 PolarHBondContact O-N 2.78Å; A706-C710 PolarHBondContact O-SG 3.22Å; A706-C710 VanDerWaalsContact O-SG 3.36Å; R707-C710 VanDerWaalsContact O-CB 3.24Å; R707-C710 WeakPolarHBondContact O-CB 3.29Å; R707-C710 PolarHBondContact O-N 3.4Å; V708-C710 VanDerWaalsContact C-N 3.29Å; V708-C710 PolarHBondContact O-N 3.39Å; C710-L714 WeakPolarHBondContact O-CB 3.44Å; C710-L714 VanDerWaalsContact O-CG 3.23Å; C710-L714 WeakPolarHBondContact O-CG 3.37Å; C710-L714 PolarHBondContact O-N 3.14Å; C710-L767 HydrophobicContact CB-CD2 4.3Å; C710-I768 HydrophobicContact CB-CG1 4.09Å; C710-I771 HydrophobicContact CB-CD1 4.12Å
711F95.7Very high91.4Very high1 Ų117.6 Ų17.60%0.0049%0.091CC..Hα-helixtrans-64.3-43.4176.3-70.7-75.9000112.6L591 M592 L595 I601 R707 V708 H713 L714 L715 L767 I771L591-F711 HydrophobicContact CB-CE2 3.91Å; L591-F711 HydrophobicContact CB-CZ 3.87Å; M592-F711 HydrophobicContact SD-CE1 3.6Å; M592-F711 HydrophobicContact SD-CZ 4.07Å; L595-F711 HydrophobicContact CB-CD1 3.87Å; L595-F711 HydrophobicContact CB-CD2 4.09Å; L595-F711 HydrophobicContact CB-CE1 3.93Å; L595-F711 HydrophobicContact CB-CE2 4.18Å; L595-F711 HydrophobicContact CB-CG 3.94Å; L595-F711 HydrophobicContact CB-CZ 4.09Å; L595-F711 HydrophobicContact CD1-CD2 3.63Å; L595-F711 HydrophobicContact CD1-CE2 3.92Å; L595-F711 HydrophobicContact CD1-CG 4.15Å; I601-F711 HydrophobicContact CD1-CB 3.53Å; R707-F711 VanDerWaalsContact O-CD2 3.24Å; R707-F711 WeakPolarHBondContact O-CD2 3.5Å; R707-F711 PolarHBondContact O-N 2.87Å; V708-F711 PolarHBondContact O-N 3.46Å; F711-H713 VanDerWaalsContact C-N 3.34Å; F711-H713 PolarHBondContact O-N 3.02Å; F711-L714 PolarHBondContact O-N 3Å; F711-L715 HydrophobicContact CB-CD1 3.87Å; F711-L715 HydrophobicContact CB-CG 4.23Å; F711-L715 HydrophobicContact CD1-CD1 3.9Å; F711-L715 HydrophobicContact CD1-CD2 4.26Å; F711-L715 HydrophobicContact CD1-CG 4.07Å; F711-L715 HydrophobicContact CG-CD1 4.36Å; F711-L715 VanDerWaalsContact O-CB 3.24Å; F711-L715 WeakPolarHBondContact O-CB 3.41Å; F711-L715 VanDerWaalsContact O-CG 3.23Å; F711-L715 WeakPolarHBondContact O-CG 3.33Å; F711-L715 PolarHBondContact O-N 3.12Å; F711-L767 HydrophobicContact CE2-CD1 4.02Å; F711-L767 HydrophobicContact CE2-CD2 4.13Å; F711-L767 HydrophobicContact CZ-CD1 3.74Å; F711-I771 HydrophobicContact CD1-CD1 3.91Å; F711-I771 HydrophobicContact CD1-CG1 4.28Å; F711-I771 HydrophobicContact CE1-CD1 3.95Å; F711-I771 HydrophobicContact CE1-CG1 4.01Å; F711-I771 HydrophobicContact CG-CD1 4.31Å; F711-I771 HydrophobicContact CZ-CD1 4.35Å
712Y94.4Very high89.5Confident47 Ų4723.6 Ų23.618%0.18412%0.121CC..Hα-helixtrans-57.7-44.7-177.3174.7-102000112.7I601 T603 L606 V708 H709 P716I601-Y712 HydrophobicContact CB-CD2 4.04Å; I601-Y712 HydrophobicContact CG2-CD2 4.09Å; I601-Y712 VanDerWaalsContact O-CD2 3.28Å; I601-Y712 WeakPolarHBondContact O-CD2 3.26Å; I601-Y712 VanDerWaalsContact O-CE2 3.29Å; I601-Y712 WeakPolarHBondContact O-CE2 3.47Å; T603-Y712 PolarHBondContact OG1-OH 3.37Å; L606-Y712 HydrophobicContact CD1-CD1 3.86Å; L606-Y712 HydrophobicContact CD1-CD2 3.62Å; L606-Y712 HydrophobicContact CD1-CE1 3.96Å; L606-Y712 HydrophobicContact CD1-CE2 3.71Å; L606-Y712 HydrophobicContact CD1-CG 3.68Å; L606-Y712 HydrophobicContact CD2-CD2 4.31Å; L606-Y712 HydrophobicContact CD2-CG 4.31Å; L606-Y712 HydrophobicContact CG-CD2 4.1Å; L606-Y712 HydrophobicContact CG-CE2 4.41Å; L606-Y712 HydrophobicContact CG-CG 4.39Å; V708-Y712 WeakPolarHBondContact O-CB 3.39Å; V708-Y712 PolarHBondContact O-N 3.36Å; H709-Y712 PolarHBondContact O-N 3.2Å; Y712-P716 WeakPolarHBondContact O-CD 3.47Å; Y712-P716 WeakPolarHBondContact O-CG 3.22Å
713H94.7Very high87.7Confident15 Ų1524.1 Ų24.17%0.06912%0.123CC..Hα-helixtrans-83-39.5-179.3-71.3-63000112.8H709 F711 Q733 H736 L737 D740H709-H713 PolarHBondContact O-CD2 3.3Å; H709-H713 VanDerWaalsContact O-CD2 3.3Å; H709-H713 PolarHBondContact O-N 3.21Å; F711-H713 VanDerWaalsContact C-N 3.34Å; F711-H713 PolarHBondContact O-N 3.02Å; H713-Q733 HydrophobicContact CB-CB 4.46Å; H713-Q733 WeakPolarHBondContact CB-O 3.43Å; H713-Q733 WeakPolarHBondContact O-CB 3.29Å; H713-H736 VanDerWaalsContact CE1-CB 3.49Å; H713-H736 WeakPolarHBondContact CE1-CB 3.13Å; H713-L737 HydrophobicContact CB-CB 3.88Å; H713-D740 IonicContact CD2-OD2 2.86Å; H713-D740 IonicContact CE1-OD2 3.95Å; H713-D740 IonicContact NE2-OD2 2.68Å; H713-D740 PolarHBondContact NE2-OD2 3.29Å
714L95.2Very high85.6Confident0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-87.2-32.6-170.4-59.9177.5000114.2C710 F711 L717 I718 V734 L737 I768 I771 F772C710-L714 WeakPolarHBondContact O-CB 3.44Å; C710-L714 VanDerWaalsContact O-CG 3.23Å; C710-L714 WeakPolarHBondContact O-CG 3.37Å; C710-L714 PolarHBondContact O-N 3.14Å; F711-L714 PolarHBondContact O-N 3Å; L714-L717 HydrophobicContact CD2-CD2 4.19Å; L714-L717 WeakPolarHBondContact O-CB 3.32Å; L714-L717 PolarHBondContact O-N 3.1Å; L714-L717 VanDerWaalsContact O-N 3.16Å; L714-I718 WeakPolarHBondContact O-CG1 3.46Å; L714-I718 PolarHBondContact O-N 3.45Å; L714-V734 HydrophobicContact CD2-CG2 4.21Å; L714-L737 HydrophobicContact CD1-CD2 3.99Å; L714-L737 HydrophobicContact CD2-CD2 4.02Å; L714-L737 HydrophobicContact CG-CD2 3.93Å; L714-I768 HydrophobicContact CD1-CB 4.28Å; L714-I768 HydrophobicContact CD1-CG1 4Å; L714-I768 HydrophobicContact CD1-CG2 3.74Å; L714-I771 HydrophobicContact CB-CG2 3.7Å; L714-I771 HydrophobicContact CD1-CB 4.44Å; L714-I771 HydrophobicContact CD1-CD1 4.24Å; L714-I771 HydrophobicContact CD1-CG2 4.17Å; L714-F772 HydrophobicContact CD1-CE2 4.26Å; L714-F772 HydrophobicContact CD2-CE2 4.22Å; L714-F772 HydrophobicContact CD2-CZ 3.91Å
715L92.1Very high83.6Confident2 Ų232.8 Ų32.81%0.0117%0.17CC..Hα-helixtrans-61.1-42.6179.4-68.1175.1000112.8Q598 F711 I718 R719Q598-L715 HydrophobicContact CB-CD1 4.48Å; F711-L715 HydrophobicContact CB-CD1 3.87Å; F711-L715 HydrophobicContact CB-CG 4.23Å; F711-L715 HydrophobicContact CD1-CD1 3.9Å; F711-L715 HydrophobicContact CD1-CD2 4.26Å; F711-L715 HydrophobicContact CD1-CG 4.07Å; F711-L715 HydrophobicContact CG-CD1 4.36Å; F711-L715 VanDerWaalsContact O-CB 3.24Å; F711-L715 WeakPolarHBondContact O-CB 3.41Å; F711-L715 VanDerWaalsContact O-CG 3.23Å; F711-L715 WeakPolarHBondContact O-CG 3.33Å; F711-L715 PolarHBondContact O-N 3.12Å; L715-I718 HydrophobicContact CD2-CD1 4.07Å; L715-I718 WeakPolarHBondContact O-CG1 3.06Å; L715-R719 VanDerWaalsContact O-CG 3.32Å; L715-R719 WeakPolarHBondContact O-CG 3.42Å
716P89.6Confident81.8Confident30 Ų3038 Ų3820%0.19521%0.206CC..Hα-helixtrans-65.3-38.6173.4-22.735.7000112.3K600 Y712 R719 Q720K600-P716 HydrophobicContact CG-CG 4.18Å; Y712-P716 WeakPolarHBondContact O-CD 3.47Å; Y712-P716 WeakPolarHBondContact O-CG 3.22Å; P716-R719 PolarHBondContact O-N 3.37Å; P716-Q720 WeakPolarHBondContact O-CG 3.17Å; P716-Q720 PolarHBondContact O-N 3.48Å
717L88.9Confident80.2Confident9 Ų941.1 Ų41.15%0.04723%0.228CC..Hα-helixtrans-60.3-52-178.1175.463.2000111.7L714 R719 Q720 D731 Q733 V734 F772L714-L717 HydrophobicContact CD2-CD2 4.19Å; L714-L717 WeakPolarHBondContact O-CB 3.32Å; L714-L717 PolarHBondContact O-N 3.1Å; L714-L717 VanDerWaalsContact O-N 3.16Å; L717-R719 PolarHBondContact O-N 2.95Å; L717-Q720 PolarHBondContact O-N 2.95Å; L717-D731 HydrophobicContact CD1-CB 3.84Å; L717-D731 WeakPolarHBondContact CD1-OD2 3.48Å; L717-D731 HydrophobicContact CD2-CB 4.39Å; L717-Q733 HydrophobicContact CB-CB 4.28Å; L717-Q733 HydrophobicContact CB-CG 4.37Å; L717-V734 HydrophobicContact CD2-CG2 3.61Å; L717-F772 HydrophobicContact CD2-CE1 4.45Å
718I84.2Confident79.3Confident9 Ų949.4 Ų49.45%0.04627%0.267CS..Hα-helixtrans-68.5-17.9-177.265.8-171.4000113.3L714 L715 I771 F772 Y778L714-I718 WeakPolarHBondContact O-CG1 3.46Å; L714-I718 PolarHBondContact O-N 3.45Å; L715-I718 HydrophobicContact CD2-CD1 4.07Å; L715-I718 WeakPolarHBondContact O-CG1 3.06Å; I718-I771 HydrophobicContact CD1-CG2 4.03Å; I718-F772 HydrophobicContact CG2-CD1 4.38Å; I718-Y778 HydrophobicContact CD1-CD2 4.48Å
719R83.6Confident78.8Confident66 Ų6656.3 Ų56.325%0.24930%0.299CS..THydrogen-bonded Turntrans-99.9-2.3-179.8-63.5-179.1-172.2-154.86.9113.4G596 S597 Q598 L715 P716 L717 Y778G596-R719 PolarHBondContact O-NH2 3Å; S597-R719 VanDerWaalsContact C-NH2 3.32Å; S597-R719 PolarHBondContact O-NH1 2.86Å; S597-R719 VanDerWaalsContact O-NH1 3.11Å; S597-R719 PolarHBondContact O-NH2 2.9Å; Q598-R719 PolarHBondContact O-NH1 3.44Å; Q598-R719 PolarHBondContact O-NH2 3.13Å; L715-R719 VanDerWaalsContact O-CG 3.32Å; L715-R719 WeakPolarHBondContact O-CG 3.42Å; P716-R719 PolarHBondContact O-N 3.37Å; L717-R719 PolarHBondContact O-N 2.95Å; R719-Y778 HydrophobicContact CG-CD2 4.24Å; R719-Y778 HydrophobicContact CG-CG 4.23Å; R719-Y778 PolarHBondContact NH2-OH 2.72Å
720Q77.9Confident78.6Confident59 Ų5957.8 Ų57.828%0.27631%0.308SS..  trans-68.3134.1176.2-82.9168.220.600110.8P716 L717 M722 F723P716-Q720 WeakPolarHBondContact O-CG 3.17Å; P716-Q720 PolarHBondContact O-N 3.48Å; L717-Q720 PolarHBondContact O-N 2.95Å; Q720-M722 PolarHBondContact O-N 3.26Å; Q720-M722 VanDerWaalsContact O-N 3.16Å; Q720-F723 WeakPolarHBondContact O-CE2 3.21Å
721P66.1Low78.4Confident118 Ų11858.8 Ų58.877%0.76631%0.313SS*.SBendtrans-71.7-8-17826.7-33.3000114F723P721-F723 PolarHBondContact O-N 3.22Å
722M56.2Low78.2Confident125 Ų12563.6 Ų63.662%0.61634%0.339SS*.  trans-96.581.5-166.8-161.9-179.8-72.200112.2Q720 F724 R789Q720-M722 PolarHBondContact O-N 3.26Å; Q720-M722 VanDerWaalsContact O-N 3.16Å; M722-F724 VanDerWaalsContact C-N 3.32Å; M722-R789 PolarHBondContact O-NH1 3.47Å
723F58.1Low78.1Confident16 Ų1663.5 Ų63.57%0.0734%0.34CS..  trans-96.625.8166.5-65.1-79.2000112.9Q720 P721 I779 S783 I790Q720-F723 WeakPolarHBondContact O-CE2 3.21Å; P721-F723 PolarHBondContact O-N 3.22Å; F723-I779 HydrophobicContact CD2-CG2 3.85Å; F723-I779 HydrophobicContact CE1-CD1 4.34Å; F723-I779 HydrophobicContact CE2-CB 4.21Å; F723-I779 HydrophobicContact CE2-CD1 4.35Å; F723-I779 HydrophobicContact CE2-CG1 3.86Å; F723-I779 HydrophobicContact CE2-CG2 3.7Å; F723-I779 HydrophobicContact CZ-CD1 3.89Å; F723-I779 HydrophobicContact CZ-CG1 3.79Å; F723-I779 HydrophobicContact CZ-CG2 4.26Å; F723-S783 PolarHBondContact O-OG 3.17Å; F723-I790 HydrophobicContact CD1-CD1 4.42Å; F723-I790 HydrophobicContact CE1-CD1 3.84Å; F723-I790 HydrophobicContact CE1-CG1 4.19Å
724F52.5Low78.2Confident152 Ų15262.8 Ų62.867%0.66734%0.337SS*.  trans-114.3-1.4-179.2-63.1-75.5000114.1M722M722-F724 VanDerWaalsContact C-N 3.32Å
725G53.1Low78.2Confident31 Ų3165.4 Ų65.432%0.3235%0.351SS..  trans-69.3135177.200000112.3S727G725-S727 PolarHBondContact O-N 2.96Å
726S56.6Low78.4Confident110 Ų11069.6 Ų69.677%0.76937%0.37SS*.  trans-82.410.4176.952.60000114Q728S726-Q728 PolarHBondContact O-N 3.17Å
727S63.7Low78.7Confident67 Ų6768.1 Ų68.147%0.46936%0.361SS..  trans-65.8123.4-176.3-170.50000111G725 E729 R792G725-S727 PolarHBondContact O-N 2.96Å; S727-E729 PolarHBondContact O-N 3Å; S727-E729 WeakPolarHBondContact OG-CB 3.46Å; S727-E729 PolarHBondContact OG-N 3.29Å; S727-R792 PolarHBondContact O-NH2 3.25Å
728Q75.3Confident79.2Confident176 Ų17668.5 Ų68.582%0.82236%0.362SS*.  trans-79.9-1.9171.9-67-174-1200112S726 R792S726-Q728 PolarHBondContact O-N 3.17Å; Q728-R792 VanDerWaalsContact C-CZ 3.41Å; Q728-R792 WeakPolarHBondContact O-CD 3.39Å; Q728-R792 VanDerWaalsContact O-CZ 3.25Å; Q728-R792 PolarHBondContact O-NE 2.86Å; Q728-R792 PolarHBondContact O-NH1 2.96Å
729E86.2Confident79.8Confident146 Ų14673.7 Ų73.768%0.68239%0.385SS*.SBendtrans-93.5151.5-174.9-58179.4169.400112.4S727 R792S727-E729 PolarHBondContact O-N 3Å; S727-E729 WeakPolarHBondContact OG-CB 3.46Å; S727-E729 PolarHBondContact OG-N 3.29Å; E729-R792 PolarHBondContact O-NE 3Å; E729-R792 PolarHBondContact O-NH2 3.25Å
730V89.9Confident80.3Confident34 Ų3471.9 Ų71.921%0.20638%0.38CS..PPolyproline II helixtrans-60.7143.8172.6179.40000109.3V734 I735 R792 D793V730-V734 HydrophobicContact CG1-CB 3.77Å; V730-V734 HydrophobicContact CG1-CG1 3.52Å; V730-I735 HydrophobicContact CB-CD1 4.26Å; V730-I735 HydrophobicContact CB-CG1 4.08Å; V730-I735 HydrophobicContact CG1-CG1 3.89Å; V730-I735 WeakPolarHBondContact O-CD1 3.39Å; V730-R792 HydrophobicContact CG2-CG 3.9Å; V730-D793 WeakPolarHBondContact CG1-OD1 3.31Å
731D91.6Very high81.2Confident21 Ų2169 Ų6911%0.11237%0.367CS..PPolyproline II helixtrans-62.8142.7178.9-82.4-57.5000113.8L717 Q733 V734 I735 R789 D793L717-D731 HydrophobicContact CD1-CB 3.84Å; L717-D731 WeakPolarHBondContact CD1-OD2 3.48Å; L717-D731 HydrophobicContact CD2-CB 4.39Å; D731-Q733 PolarHBondContact O-N 2.97Å; D731-V734 HydrophobicContact CB-CG2 4.29Å; D731-V734 WeakPolarHBondContact O-CA 3.24Å; D731-V734 WeakPolarHBondContact O-CB 3.3Å; D731-V734 PolarHBondContact O-N 3.39Å; D731-I735 WeakPolarHBondContact O-CG1 3.09Å; D731-I735 PolarHBondContact O-N 3.02Å; D731-R789 VanDerWaalsContact CG-NE 3.27Å; D731-R789 IonicContact OD1-CZ 3.4Å; D731-R789 VanDerWaalsContact OD1-CZ 3.23Å; D731-R789 IonicContact OD1-NE 2.74Å; D731-R789 PolarHBondContact OD1-NE 3.33Å; D731-R789 VanDerWaalsContact OD1-NE 3.07Å; D731-R789 IonicContact OD1-NH2 3.49Å; D731-R789 PolarHBondContact OD1-NH2 2.89Å; D731-R789 IonicContact OD2-CZ 3.88Å; D731-R789 VanDerWaalsContact OD2-CZ 3.24Å; D731-R789 IonicContact OD2-NE 3.29Å; D731-R789 PolarHBondContact OD2-NE 3.33Å; D731-R789 IonicContact OD2-NH2 2.73Å; D731-R789 PolarHBondContact OD2-NH2 2.99Å; D731-R789 VanDerWaalsContact OD2-NH2 3.12Å; D731-D793 PolarHBondContact N-OD1 3.35Å
732D92Very high82.6Confident103 Ų10366.7 Ų66.755%0.55135%0.347SS*.Hα-helixtrans-54.9-39.2180-71.9-31.2000112.1V734 I735 H736D732-V734 VanDerWaalsContact C-N 3.29Å; D732-V734 PolarHBondContact O-N 2.86Å; D732-I735 PolarHBondContact O-N 3.28Å; D732-H736 WeakPolarHBondContact O-CB 3.37Å; D732-H736 PolarHBondContact O-CD2 3.45Å; D732-H736 PolarHBondContact O-N 3.45Å; D732-H736 PolarHBondContact O-ND1 2.91Å
733Q92.8Very high84.5Confident44 Ų4466.9 Ų66.921%0.20634%0.341CS..Hα-helixtrans-62.3-38.1178.1-64.978.46.600111.6H713 L717 D731 H736 L737H713-Q733 HydrophobicContact CB-CB 4.46Å; H713-Q733 WeakPolarHBondContact CB-O 3.43Å; H713-Q733 WeakPolarHBondContact O-CB 3.29Å; L717-Q733 HydrophobicContact CB-CB 4.28Å; L717-Q733 HydrophobicContact CB-CG 4.37Å; D731-Q733 PolarHBondContact O-N 2.97Å; Q733-H736 PolarHBondContact O-N 3.05Å; Q733-L737 WeakPolarHBondContact O-CB 3.38Å; Q733-L737 PolarHBondContact O-N 3.37Å
734V96.2Very high86.2Confident0 Ų066.3 Ų66.30%034%0.339CS..Hα-helixtrans-73.7-41.1178.51710000110.3L714 L717 V730 D731 D732 H736 L737 N738 D793 V797L714-V734 HydrophobicContact CD2-CG2 4.21Å; L717-V734 HydrophobicContact CD2-CG2 3.61Å; V730-V734 HydrophobicContact CG1-CB 3.77Å; V730-V734 HydrophobicContact CG1-CG1 3.52Å; D731-V734 HydrophobicContact CB-CG2 4.29Å; D731-V734 WeakPolarHBondContact O-CA 3.24Å; D731-V734 WeakPolarHBondContact O-CB 3.3Å; D731-V734 PolarHBondContact O-N 3.39Å; D732-V734 VanDerWaalsContact C-N 3.29Å; D732-V734 PolarHBondContact O-N 2.86Å; V734-H736 VanDerWaalsContact C-N 3.29Å; V734-H736 PolarHBondContact O-N 3.43Å; V734-L737 PolarHBondContact O-N 3.28Å; V734-N738 WeakPolarHBondContact O-CB 3.47Å; V734-N738 PolarHBondContact O-N 2.81Å; V734-D793 HydrophobicContact CG1-CB 4.48Å; V734-D793 HydrophobicContact CG2-CB 3.78Å; V734-V797 HydrophobicContact CG1-CG2 3.59Å
735I96.2Very high88.2Confident55 Ų5560.6 Ų60.628%0.28232%0.315SS..Hα-helixtrans-59.5-43.3173.3-64.8170.5000110.2V730 D731 D732 K739V730-I735 HydrophobicContact CB-CD1 4.26Å; V730-I735 HydrophobicContact CB-CG1 4.08Å; V730-I735 HydrophobicContact CG1-CG1 3.89Å; V730-I735 WeakPolarHBondContact O-CD1 3.39Å; D731-I735 WeakPolarHBondContact O-CG1 3.09Å; D731-I735 PolarHBondContact O-N 3.02Å; D732-I735 PolarHBondContact O-N 3.28Å; I735-K739 HydrophobicContact CG2-CD 4.16Å; I735-K739 WeakPolarHBondContact O-CB 3.43Å; I735-K739 VanDerWaalsContact O-CG 3.3Å; I735-K739 WeakPolarHBondContact O-CG 3.38Å; I735-K739 PolarHBondContact O-N 3.16Å
736H95.5Very high90.2Very high90 Ų9065.3 Ų65.342%0.41733%0.329SS..Hα-helixtrans-67.2-43.5177.8-65.6163.9000112.3H713 D732 Q733 V734 N738 K739 D740H713-H736 VanDerWaalsContact CE1-CB 3.49Å; H713-H736 WeakPolarHBondContact CE1-CB 3.13Å; D732-H736 WeakPolarHBondContact O-CB 3.37Å; D732-H736 PolarHBondContact O-CD2 3.45Å; D732-H736 PolarHBondContact O-N 3.45Å; D732-H736 PolarHBondContact O-ND1 2.91Å; Q733-H736 PolarHBondContact O-N 3.05Å; V734-H736 VanDerWaalsContact C-N 3.29Å; V734-H736 PolarHBondContact O-N 3.43Å; H736-N738 PolarHBondContact O-N 2.79Å; H736-K739 PolarHBondContact O-N 3.12Å; H736-D740 PolarHBondContact O-N 2.84Å
737L96.8Very high91.9Very high0 Ų060.5 Ų60.50%029%0.294CS..Hα-helixtrans-56.4-49.6173.5176.760.8000111.5H709 H713 L714 Q733 V734 K739 D740 L741 I768 V797H709-L737 HydrophobicContact CB-CD1 4.37Å; H713-L737 HydrophobicContact CB-CB 3.88Å; L714-L737 HydrophobicContact CD1-CD2 3.99Å; L714-L737 HydrophobicContact CD2-CD2 4.02Å; L714-L737 HydrophobicContact CG-CD2 3.93Å; Q733-L737 WeakPolarHBondContact O-CB 3.38Å; Q733-L737 PolarHBondContact O-N 3.37Å; V734-L737 PolarHBondContact O-N 3.28Å; L737-K739 VanDerWaalsContact C-N 3.34Å; L737-K739 PolarHBondContact O-N 2.78Å; L737-D740 PolarHBondContact O-N 2.9Å; L737-L741 HydrophobicContact CD1-CD1 4.01Å; L737-L741 HydrophobicContact CD1-CG 4.04Å; L737-L741 HydrophobicContact CG-CD1 4.07Å; L737-L741 HydrophobicContact CG-CG 4.45Å; L737-L741 WeakPolarHBondContact O-CG 3.49Å; L737-L741 PolarHBondContact O-N 3.07Å; L737-I768 HydrophobicContact CD2-CD1 4.43Å; L737-V797 HydrophobicContact CD2-CG2 4.43Å
738N98Very high93.4Very high16 Ų1657.4 Ų57.49%0.08627%0.272CS..Hα-helixtrans-60.2-44.5179.1-76.2-5.5000111.6V734 H736 D740 L741 I742 S796 C800V734-N738 WeakPolarHBondContact O-CB 3.47Å; V734-N738 PolarHBondContact O-N 2.81Å; H736-N738 PolarHBondContact O-N 2.79Å; N738-D740 VanDerWaalsContact C-N 3.34Å; N738-D740 PolarHBondContact O-N 2.74Å; N738-L741 PolarHBondContact O-N 2.76Å; N738-I742 WeakPolarHBondContact O-CB 3.4Å; N738-I742 WeakPolarHBondContact O-CD1 3.5Å; N738-I742 WeakPolarHBondContact O-CG1 3.48Å; N738-I742 PolarHBondContact O-N 2.75Å; N738-S796 PolarHBondContact ND2-O 2.7Å; N738-S796 VanDerWaalsContact ND2-O 3.12Å; N738-S796 PolarHBondContact ND2-OG 2.98Å; N738-S796 VanDerWaalsContact ND2-OG 3.17Å; N738-C800 HydrophobicContact CB-CB 4.2Å; N738-C800 WeakPolarHBondContact OD1-CB 3.44Å
739K96.5Very high94.2Very high119 Ų11951.8 Ų51.852%0.51725%0.253SS..Hα-helixtrans-60.6-42.2176-76.2174.6-179.8174.30112.2I735 H736 L737 R743I735-K739 HydrophobicContact CG2-CD 4.16Å; I735-K739 WeakPolarHBondContact O-CB 3.43Å; I735-K739 VanDerWaalsContact O-CG 3.3Å; I735-K739 WeakPolarHBondContact O-CG 3.38Å; I735-K739 PolarHBondContact O-N 3.16Å; H736-K739 PolarHBondContact O-N 3.12Å; L737-K739 VanDerWaalsContact C-N 3.34Å; L737-K739 PolarHBondContact O-N 2.78Å; K739-R743 WeakPolarHBondContact O-CB 3.32Å; K739-R743 PolarHBondContact O-N 3.32Å
740D95.2Very high94.3Very high27 Ų2747.5 Ų47.514%0.14425%0.248CC..Hα-helixtrans-65.2-45.2178.4-74.8-5.5000111.3F609 H709 H713 H736 L737 N738 R743 L744F609-D740 HydrophobicContact CD2-CB 4.47Å; F609-D740 HydrophobicContact CE2-CB 4.05Å; H709-D740 IonicContact CE1-OD2 2.81Å; H709-D740 PolarHBondContact CE1-OD2 3.28Å; H709-D740 VanDerWaalsContact CE1-OD2 3.31Å; H709-D740 IonicContact ND1-OD2 3.13Å; H709-D740 PolarHBondContact ND1-OD2 3.1Å; H713-D740 IonicContact CD2-OD2 2.86Å; H713-D740 IonicContact CE1-OD2 3.95Å; H713-D740 IonicContact NE2-OD2 2.68Å; H713-D740 PolarHBondContact NE2-OD2 3.29Å; H736-D740 PolarHBondContact O-N 2.84Å; L737-D740 PolarHBondContact O-N 2.9Å; N738-D740 VanDerWaalsContact C-N 3.34Å; N738-D740 PolarHBondContact O-N 2.74Å; D740-R743 PolarHBondContact O-N 2.98Å; D740-L744 WeakPolarHBondContact O-CB 3.29Å; D740-L744 WeakPolarHBondContact O-CG 3.44Å; D740-L744 PolarHBondContact O-N 2.67Å
741L96.4Very high94.4Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-64.7-45.5178.9-68.3177.5000112.3L737 N738 R743 L744 N745 L764 L801 L804L737-L741 HydrophobicContact CD1-CD1 4.01Å; L737-L741 HydrophobicContact CD1-CG 4.04Å; L737-L741 HydrophobicContact CG-CD1 4.07Å; L737-L741 HydrophobicContact CG-CG 4.45Å; L737-L741 WeakPolarHBondContact O-CG 3.49Å; L737-L741 PolarHBondContact O-N 3.07Å; N738-L741 PolarHBondContact O-N 2.76Å; L741-R743 VanDerWaalsContact C-N 3.32Å; L741-R743 PolarHBondContact O-N 2.87Å; L741-L744 PolarHBondContact O-N 3.32Å; L741-N745 WeakPolarHBondContact O-CB 3.48Å; L741-N745 PolarHBondContact O-N 2.95Å; L741-L764 HydrophobicContact CD2-CD1 3.98Å; L741-L801 HydrophobicContact CD1-CD2 3.9Å; L741-L804 HydrophobicContact CB-CD1 3.91Å
742I96.5Very high94.5Very high69 Ų6945 Ų4535%0.35423%0.233SC..Hα-helixtrans-58.7-48.1175.5-69.6164.2000109.8N738 L744 N745 E746 L804N738-I742 WeakPolarHBondContact O-CB 3.4Å; N738-I742 WeakPolarHBondContact O-CD1 3.5Å; N738-I742 WeakPolarHBondContact O-CG1 3.48Å; N738-I742 PolarHBondContact O-N 2.75Å; I742-L744 PolarHBondContact O-N 3.22Å; I742-N745 WeakPolarHBondContact O-CB 3.46Å; I742-N745 PolarHBondContact O-N 3Å; I742-N745 VanDerWaalsContact O-N 3.16Å; I742-E746 HydrophobicContact CG2-CG 4.45Å; I742-E746 WeakPolarHBondContact O-CG 3.1Å; I742-E746 PolarHBondContact O-N 3.03Å; I742-L804 HydrophobicContact CG1-CD1 4.49Å; I742-L804 HydrophobicContact CG1-CD2 4.24Å
743R94.5Very high94.6Very high129 Ų12940.9 Ų40.949%0.48721%0.21SC..Hα-helixtrans-65.2-40.7-178.8-171.3-176.7-76.6-179.1-1.8111.9F609 K739 D740 L741 N745 E746 I747F609-R743 HydrophobicContact CE1-CB 4.2Å; F609-R743 HydrophobicContact CE1-CG 3.57Å; F609-R743 HydrophobicContact CZ-CB 3.72Å; F609-R743 VanDerWaalsContact CZ-CD 3.42Å; F609-R743 HydrophobicContact CZ-CG 3.59Å; K739-R743 WeakPolarHBondContact O-CB 3.32Å; K739-R743 PolarHBondContact O-N 3.32Å; D740-R743 PolarHBondContact O-N 2.98Å; L741-R743 VanDerWaalsContact C-N 3.32Å; L741-R743 PolarHBondContact O-N 2.87Å; R743-N745 VanDerWaalsContact C-N 3.31Å; R743-N745 PolarHBondContact O-N 3.06Å; R743-E746 PolarHBondContact O-N 3.03Å; R743-I747 HydrophobicContact CG-CD1 3.97Å; R743-I747 VanDerWaalsContact O-CD1 3.24Å; R743-I747 WeakPolarHBondContact O-CD1 3.21Å; R743-I747 WeakPolarHBondContact O-CG1 3.49Å; R743-I747 PolarHBondContact O-N 2.63Å
744L94.1Very high94.6Very high4 Ų441.3 Ų41.32%0.02122%0.221CC..Hα-helixtrans-59-44.9172.7-77.3173.2000110.8F609 F614 D740 L741 I742 E746 I747 L748 F761F609-L744 HydrophobicContact CE2-CD1 4.38Å; F609-L744 HydrophobicContact CE2-CD2 3.92Å; F609-L744 HydrophobicContact CE2-CG 3.72Å; F609-L744 HydrophobicContact CZ-CD2 4.01Å; F609-L744 HydrophobicContact CZ-CG 3.94Å; F614-L744 HydrophobicContact CD1-CD2 3.64Å; F614-L744 HydrophobicContact CD2-CD2 4.15Å; F614-L744 HydrophobicContact CE1-CD2 3.71Å; F614-L744 HydrophobicContact CE2-CD2 4.24Å; F614-L744 HydrophobicContact CG-CD2 3.87Å; F614-L744 HydrophobicContact CZ-CD2 4.02Å; D740-L744 WeakPolarHBondContact O-CB 3.29Å; D740-L744 WeakPolarHBondContact O-CG 3.44Å; D740-L744 PolarHBondContact O-N 2.67Å; L741-L744 PolarHBondContact O-N 3.32Å; I742-L744 PolarHBondContact O-N 3.22Å; L744-E746 PolarHBondContact O-N 3.31Å; L744-I747 PolarHBondContact O-N 3.1Å; L744-L748 WeakPolarHBondContact O-CB 3.48Å; L744-L748 VanDerWaalsContact O-CG 3.22Å; L744-L748 WeakPolarHBondContact O-CG 3.07Å; L744-L748 PolarHBondContact O-N 3.48Å; L744-F761 HydrophobicContact CB-CE1 4.38Å; L744-F761 HydrophobicContact CB-CZ 4.04Å
745N95.3Very high94.4Very high31 Ų3143.4 Ų43.417%0.16624%0.235CC..Hα-helixtrans-62.7-45.1179.4-175.455.4000111.8L741 I742 R743 I747 L748 S749 F761 L804L741-N745 WeakPolarHBondContact O-CB 3.48Å; L741-N745 PolarHBondContact O-N 2.95Å; I742-N745 WeakPolarHBondContact O-CB 3.46Å; I742-N745 PolarHBondContact O-N 3Å; I742-N745 VanDerWaalsContact O-N 3.16Å; R743-N745 VanDerWaalsContact C-N 3.31Å; R743-N745 PolarHBondContact O-N 3.06Å; N745-I747 VanDerWaalsContact C-N 3.33Å; N745-I747 PolarHBondContact O-N 3.37Å; N745-L748 PolarHBondContact O-N 3.24Å; N745-S749 VanDerWaalsContact O-CB 3.23Å; N745-S749 WeakPolarHBondContact O-CB 3.45Å; N745-S749 PolarHBondContact O-N 3.23Å; N745-S749 PolarHBondContact O-OG 2.8Å; N745-F761 VanDerWaalsContact CA-CZ 3.45Å; N745-F761 HydrophobicContact CB-CE1 4.16Å; N745-F761 HydrophobicContact CB-CE2 3.93Å; N745-F761 HydrophobicContact CB-CZ 3.6Å; N745-L804 HydrophobicContact CB-CD1 4.5Å; N745-L804 HydrophobicContact CB-CD2 3.69Å; N745-L804 WeakPolarHBondContact ND2-CD2 3.46Å
746E94.7Very high94.4Very high131 Ų13140.8 Ų40.861%0.61222%0.222SC*.Hα-helixtrans-59-42.2175.7-72.2173.6173.500112.2I742 R743 L744I742-E746 HydrophobicContact CG2-CG 4.45Å; I742-E746 WeakPolarHBondContact O-CG 3.1Å; I742-E746 PolarHBondContact O-N 3.03Å; R743-E746 PolarHBondContact O-N 3.03Å; L744-E746 PolarHBondContact O-N 3.31Å
747I93.1Very high94.4Very high8 Ų838 Ų384%0.04121%0.209CC..Hα-helixtrans-65.9-45.1179-67.4157.2000111.2F609 A611 F614 R615 R743 L744 N745F609-I747 HydrophobicContact CE1-CD1 3.89Å; F609-I747 HydrophobicContact CZ-CD1 4.11Å; A611-I747 HydrophobicContact CB-CD1 3.63Å; A611-I747 HydrophobicContact CB-CG1 4Å; A611-I747 WeakPolarHBondContact O-CG2 3.45Å; F614-I747 HydrophobicContact CB-CG2 3.87Å; R615-I747 HydrophobicContact CB-CG2 3.86Å; R743-I747 HydrophobicContact CG-CD1 3.97Å; R743-I747 VanDerWaalsContact O-CD1 3.24Å; R743-I747 WeakPolarHBondContact O-CD1 3.21Å; R743-I747 WeakPolarHBondContact O-CG1 3.49Å; R743-I747 PolarHBondContact O-N 2.63Å; L744-I747 PolarHBondContact O-N 3.1Å; N745-I747 VanDerWaalsContact C-N 3.33Å; N745-I747 PolarHBondContact O-N 3.37Å
748L95Very high94.2Very high3 Ų346.9 Ų46.92%0.01624%0.242CC..Hα-helixtrans-76.3-31.7-175.5-64.9174.4000112.4A618 L702 L744 N745 G750 A751 L752 Q757 I760 F761A618-L748 HydrophobicContact CB-CD2 3.78Å; L702-L748 HydrophobicContact CD1-CD2 4.44Å; L744-L748 WeakPolarHBondContact O-CB 3.48Å; L744-L748 VanDerWaalsContact O-CG 3.22Å; L744-L748 WeakPolarHBondContact O-CG 3.07Å; L744-L748 PolarHBondContact O-N 3.48Å; N745-L748 PolarHBondContact O-N 3.24Å; L748-G750 PolarHBondContact O-N 2.65Å; L748-G750 VanDerWaalsContact O-N 3.1Å; L748-A751 PolarHBondContact O-N 3.09Å; L748-L752 PolarHBondContact O-N 3.17Å; L748-Q757 HydrophobicContact CB-CG 4.48Å; L748-Q757 PolarHBondContact O-NE2 3.28Å; L748-I760 HydrophobicContact CD1-CD1 3.69Å; L748-I760 HydrophobicContact CD1-CG2 4.08Å; L748-F761 HydrophobicContact CD1-CE2 4.06Å; L748-F761 HydrophobicContact CD1-CZ 4.2Å
749S91.9Very high94.1Very high58 Ų5846.3 Ų46.341%0.40624%0.239SC..Hα-helixtrans-50.8-36.4-179.3-73.70000113.4N745 Q757N745-S749 VanDerWaalsContact O-CB 3.23Å; N745-S749 WeakPolarHBondContact O-CB 3.45Å; N745-S749 PolarHBondContact O-N 3.23Å; N745-S749 PolarHBondContact O-OG 2.8Å; S749-Q757 VanDerWaalsContact C-NE2 3.32Å; S749-Q757 PolarHBondContact O-NE2 3.17Å
750G87.2Confident94.1Very high56 Ų5640.8 Ų40.858%0.57722%0.215SC*.THydrogen-bonded Turntrans-99.22.3-179.800000116L748L748-G750 PolarHBondContact O-N 2.65Å; L748-G750 VanDerWaalsContact O-N 3.1Å
751A93.3Very high94.1Very high0 Ų039.8 Ų39.80%021%0.21CC..THydrogen-bonded Turntrans-132.7-10.7-170.700000114.8R615 A618 L748R615-A751 HydrophobicContact CG-CB 3.91Å; A618-A751 HydrophobicContact CB-CB 3.79Å; L748-A751 PolarHBondContact O-N 3.09Å
752L94.5Very high94Very high1 Ų142.2 Ų42.21%0.00522%0.221CC..SBendtrans-130.8152.3-177-163.472.2000109.2A618 Q621 E622 L699 L748 K756 Q757 I760A618-L752 HydrophobicContact CB-CB 4.22Å; A618-L752 HydrophobicContact CB-CD1 4.24Å; Q621-L752 HydrophobicContact CG-CD1 4.49Å; E622-L752 HydrophobicContact CG-CD1 3.97Å; E622-L752 WeakPolarHBondContact OE1-CD1 3.36Å; L699-L752 HydrophobicContact CD1-CD2 4.4Å; L748-L752 PolarHBondContact O-N 3.17Å; L752-K756 HydrophobicContact CD1-CB 4.25Å; L752-K756 HydrophobicContact CD1-CD 4.09Å; L752-K756 HydrophobicContact CD2-CB 3.68Å; L752-K756 HydrophobicContact CG-CB 3.73Å; L752-K756 HydrophobicContact CG-CD 4.34Å; L752-Q757 HydrophobicContact CB-CG 3.93Å; L752-Q757 HydrophobicContact CD2-CG 4.14Å; L752-Q757 HydrophobicContact CG-CG 4.37Å; L752-Q757 PolarHBondContact O-NE2 3.4Å; L752-I760 HydrophobicContact CD2-CD1 3.43Å; L752-I760 VanDerWaalsContact CD2-CD1 3.43Å
753Q93.9Very high93.9Very high17 Ų1739.3 Ų39.38%0.07921%0.207CC..  trans-70.3146.3175.7-69.7171-5.600111.6P425 V426 E622 P755 K756 Q757P425-Q753 HydrophobicContact CG-CG 4.13Å; V426-Q753 HydrophobicContact CG1-CG 4.03Å; V426-Q753 HydrophobicContact CG2-CG 4.14Å; E622-Q753 WeakPolarHBondContact OE1-CB 3.32Å; E622-Q753 VanDerWaalsContact OE1-CG 3.28Å; E622-Q753 WeakPolarHBondContact OE1-CG 3.48Å; E622-Q753 PolarHBondContact OE1-N 3.02Å; E622-Q753 PolarHBondContact OE2-NE2 2.85Å; Q753-P755 VanDerWaalsContact C-CD 3.5Å; Q753-K756 HydrophobicContact CB-CD 4.45Å; Q753-K756 WeakPolarHBondContact O-CB 3.36Å; Q753-K756 PolarHBondContact O-N 2.89Å; Q753-Q757 WeakPolarHBondContact O-CG 3.49Å; Q753-Q757 PolarHBondContact O-N 3.11Å
754A92.2Very high94Very high53 Ų5333.1 Ų33.144%0.43818%0.184SC..Hα-helixtrans-54.1-41-175.200000115.1K756 Q757 R758A754-K756 VanDerWaalsContact C-N 3.31Å; A754-K756 PolarHBondContact O-N 3.45Å; A754-Q757 PolarHBondContact O-N 3.5Å; A754-R758 WeakPolarHBondContact O-CG 3.45Å; A754-R758 PolarHBondContact O-N 3.47Å
755P92.7Very high94.1Very high45 Ų4533 Ų3329%0.29218%0.184SC..Hα-helixtrans-60.9-38.4175.6-24.235.5000113.2L536 W539 Q753 R758 Y759L536-P755 HydrophobicContact CD1-CB 3.94Å; W539-P755 HydrophobicContact CD2-CG 4.49Å; W539-P755 HydrophobicContact CH2-CG 4.2Å; W539-P755 HydrophobicContact CZ2-CG 4.05Å; W539-P755 HydrophobicContact CZ3-CG 4.47Å; Q753-P755 VanDerWaalsContact C-CD 3.5Å; P755-R758 PolarHBondContact O-N 3.05Å; P755-Y759 PolarHBondContact O-N 3.37Å; P755-Y759 VanDerWaalsContact O-N 3.08Å
756K95.5Very high94.2Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-73.9-34.9178.5-62.2176.1-172.7172.30111.7L536 E622 E625 L699 L752 Q753 A754 Y759 I760L536-K756 HydrophobicContact CD1-CG 4.03Å; L536-K756 HydrophobicContact CD2-CG 4.26Å; E622-K756 WeakPolarHBondContact OE1-CD 3.29Å; E622-K756 IonicContact OE1-NZ 2.79Å; E622-K756 PolarHBondContact OE1-NZ 3.21Å; E622-K756 IonicContact OE2-NZ 2.86Å; E622-K756 PolarHBondContact OE2-NZ 3.37Å; E625-K756 IonicContact OE1-NZ 3.75Å; E625-K756 PolarHBondContact OE1-NZ 2.83Å; E625-K756 VanDerWaalsContact OE1-NZ 3.09Å; E625-K756 WeakPolarHBondContact OE2-CE 3.16Å; E625-K756 IonicContact OE2-NZ 3.59Å; E625-K756 PolarHBondContact OE2-NZ 3.36Å; L699-K756 HydrophobicContact CD1-CB 4.02Å; L699-K756 HydrophobicContact CD1-CG 4.43Å; L699-K756 HydrophobicContact CD2-CD 4.41Å; L699-K756 HydrophobicContact CD2-CG 4.26Å; L752-K756 HydrophobicContact CD1-CB 4.25Å; L752-K756 HydrophobicContact CD1-CD 4.09Å; L752-K756 HydrophobicContact CD2-CB 3.68Å; L752-K756 HydrophobicContact CG-CB 3.73Å; L752-K756 HydrophobicContact CG-CD 4.34Å; Q753-K756 HydrophobicContact CB-CD 4.45Å; Q753-K756 WeakPolarHBondContact O-CB 3.36Å; Q753-K756 PolarHBondContact O-N 2.89Å; A754-K756 VanDerWaalsContact C-N 3.31Å; A754-K756 PolarHBondContact O-N 3.45Å; K756-Y759 PolarHBondContact O-N 3.36Å; K756-I760 WeakPolarHBondContact O-CG1 3.34Å; K756-I760 PolarHBondContact O-N 3.47Å
757Q94.9Very high94.4Very high30 Ų3026.6 Ų26.614%0.1415%0.153CC..Hα-helixtrans-60.8-47.7170.6-65.1171.5700110.9L748 S749 L752 Q753 A754 Y759 I760 F761L748-Q757 HydrophobicContact CB-CG 4.48Å; L748-Q757 PolarHBondContact O-NE2 3.28Å; S749-Q757 VanDerWaalsContact C-NE2 3.32Å; S749-Q757 PolarHBondContact O-NE2 3.17Å; L752-Q757 HydrophobicContact CB-CG 3.93Å; L752-Q757 HydrophobicContact CD2-CG 4.14Å; L752-Q757 HydrophobicContact CG-CG 4.37Å; L752-Q757 PolarHBondContact O-NE2 3.4Å; Q753-Q757 WeakPolarHBondContact O-CG 3.49Å; Q753-Q757 PolarHBondContact O-N 3.11Å; A754-Q757 PolarHBondContact O-N 3.5Å; Q757-Y759 VanDerWaalsContact C-N 3.3Å; Q757-Y759 PolarHBondContact O-N 3.23Å; Q757-I760 WeakPolarHBondContact O-CB 3.31Å; Q757-I760 PolarHBondContact O-N 3.34Å; Q757-F761 WeakPolarHBondContact O-CD2 3.26Å; Q757-F761 PolarHBondContact O-N 3.05Å
758R93.2Very high94.6Very high187 Ų18726.2 Ų26.271%0.70615%0.151SC*.Hα-helixtrans-56.7-44.3176.1-72174.9-179.7178.30.1111.8A754 P755 I760 F761 E762A754-R758 WeakPolarHBondContact O-CG 3.45Å; A754-R758 PolarHBondContact O-N 3.47Å; P755-R758 PolarHBondContact O-N 3.05Å; R758-I760 VanDerWaalsContact C-N 3.25Å; R758-I760 PolarHBondContact O-N 2.98Å; R758-F761 PolarHBondContact O-N 2.84Å; R758-E762 WeakPolarHBondContact O-CB 3.44Å; R758-E762 WeakPolarHBondContact O-CG 3.48Å; R758-E762 PolarHBondContact O-N 3.33Å
759Y95.3Very high94.7Very high5 Ų526.4 Ų26.42%0.0215%0.152CC..Hα-helixtrans-58.2-33.5175.6169.6-105.1000113.5N532 W533 L536 L699 H703 P755 K756 Q757 E762N532-Y759 HydrophobicContact CB-CD2 4.35Å; N532-Y759 WeakPolarHBondContact ND2-CE2 3.13Å; W533-Y759 AromaticContact CE3-CE1 3.85Å; W533-Y759 HydrophobicContact CE3-CE1 3.85Å; W533-Y759 HydrophobicContact CE3-CE2 4.1Å; W533-Y759 AromaticContact CE3-CZ 3.47Å; W533-Y759 VanDerWaalsContact CE3-CZ 3.47Å; W533-Y759 VanDerWaalsContact CE3-OH 3.26Å; W533-Y759 AromaticContact CZ3-CE1 3.82Å; W533-Y759 HydrophobicContact CZ3-CE1 3.82Å; W533-Y759 AromaticContact CZ3-CZ 3.9Å; L536-Y759 HydrophobicContact CD2-CD1 3.95Å; L536-Y759 HydrophobicContact CD2-CD2 4.4Å; L536-Y759 HydrophobicContact CD2-CG 3.79Å; L699-Y759 HydrophobicContact CD1-CD1 4.28Å; L699-Y759 HydrophobicContact CD2-CD1 4.5Å; L699-Y759 HydrophobicContact CG-CD1 4.19Å; L699-Y759 HydrophobicContact CG-CE1 4.22Å; H703-Y759 HydrophobicContact CB-CD1 4.15Å; H703-Y759 HydrophobicContact CB-CE1 3.48Å; H703-Y759 VanDerWaalsContact CB-CE1 3.48Å; H703-Y759 AromaticContact CD2-CZ 3.84Å; H703-Y759 PolarHBondContact CD2-OH 3.29Å; H703-Y759 VanDerWaalsContact CD2-OH 3.26Å; H703-Y759 AromaticContact CE1-CE2 3.48Å; H703-Y759 VanDerWaalsContact CE1-CE2 3.48Å; H703-Y759 WeakPolarHBondContact CE1-CE2 3.37Å; H703-Y759 AromaticContact CE1-CZ 3.36Å; H703-Y759 PolarHBondContact CE1-O 3.09Å; H703-Y759 PolarHBondContact CE1-OH 2.87Å; H703-Y759 AromaticContact CG-CE1 3.51Å; H703-Y759 AromaticContact CG-CZ 3.51Å; H703-Y759 AromaticContact ND1-CD1 3.86Å; H703-Y759 AromaticContact ND1-CE1 3.41Å; H703-Y759 WeakPolarHBondContact ND1-CE1 3.45Å; H703-Y759 AromaticContact ND1-CE2 3.62Å; H703-Y759 AromaticContact ND1-CZ 3.23Å; H703-Y759 PolarHBondContact ND1-O 2.97Å; H703-Y759 PolarHBondContact ND1-OH 2.99Å; H703-Y759 AromaticContact NE2-CZ 3.74Å; H703-Y759 PolarHBondContact NE2-OH 2.94Å; P755-Y759 PolarHBondContact O-N 3.37Å; P755-Y759 VanDerWaalsContact O-N 3.08Å; K756-Y759 PolarHBondContact O-N 3.36Å; Q757-Y759 VanDerWaalsContact C-N 3.3Å; Q757-Y759 PolarHBondContact O-N 3.23Å; Y759-E762 WeakPolarHBondContact CD2-OE1 3.1Å
760I96.2Very high95Very high2 Ų225.3 Ų25.31%0.0114%0.143CC..Hα-helixtrans-69.5-42.2178.8-70.2167.8000111.4L699 L702 H703 A706 R707 L748 L752 K756 Q757 R758L699-I760 HydrophobicContact CD1-CD1 4.44Å; L702-I760 HydrophobicContact CB-CD1 3.83Å; L702-I760 HydrophobicContact CB-CG1 4.37Å; L702-I760 HydrophobicContact CD1-CD1 4.39Å; H703-I760 HydrophobicContact CB-CG1 4.23Å; A706-I760 HydrophobicContact CB-CG2 4.08Å; R707-I760 PolarHBondContact NH1-O 3.2Å; L748-I760 HydrophobicContact CD1-CD1 3.69Å; L748-I760 HydrophobicContact CD1-CG2 4.08Å; L752-I760 HydrophobicContact CD2-CD1 3.43Å; L752-I760 VanDerWaalsContact CD2-CD1 3.43Å; K756-I760 WeakPolarHBondContact O-CG1 3.34Å; K756-I760 PolarHBondContact O-N 3.47Å; Q757-I760 WeakPolarHBondContact O-CB 3.31Å; Q757-I760 PolarHBondContact O-N 3.34Å; R758-I760 VanDerWaalsContact C-N 3.25Å; R758-I760 PolarHBondContact O-N 2.98Å
761F96.4Very high95.4Very high7 Ų722.7 Ų22.73%0.03112%0.116CC..Hα-helixtrans-94.7-17.9-172.7-67.1-77.9000115.2L744 N745 L748 Q757 R758 L764 T805L744-F761 HydrophobicContact CB-CE1 4.38Å; L744-F761 HydrophobicContact CB-CZ 4.04Å; N745-F761 VanDerWaalsContact CA-CZ 3.45Å; N745-F761 HydrophobicContact CB-CE1 4.16Å; N745-F761 HydrophobicContact CB-CE2 3.93Å; N745-F761 HydrophobicContact CB-CZ 3.6Å; L748-F761 HydrophobicContact CD1-CE2 4.06Å; L748-F761 HydrophobicContact CD1-CZ 4.2Å; Q757-F761 WeakPolarHBondContact O-CD2 3.26Å; Q757-F761 PolarHBondContact O-N 3.05Å; R758-F761 PolarHBondContact O-N 2.84Å; F761-L764 HydrophobicContact CB-CD1 4.35Å; F761-L764 HydrophobicContact CD1-CD1 3.86Å; F761-L764 WeakPolarHBondContact O-CB 3.32Å; F761-L764 WeakPolarHBondContact O-CD1 3.43Å; F761-L764 VanDerWaalsContact O-CG 3.27Å; F761-L764 WeakPolarHBondContact O-CG 3.48Å; F761-T805 HydrophobicContact CB-CG2 4.39Å
762E93Very high95.5Very high51 Ų5122.8 Ų22.824%0.23812%0.117CC..THydrogen-bonded Turntrans-63.7152.9175.768.1175.4173.800112.1N532 R583 R707 R758 Y759 L764N532-E762 WeakPolarHBondContact CB-OE1 3.45Å; N532-E762 PolarHBondContact ND2-OE1 3.17Å; R583-E762 IonicContact CZ-OE2 3.66Å; R583-E762 IonicContact NH1-OE1 2.96Å; R583-E762 IonicContact NH1-OE2 2.9Å; R583-E762 IonicContact NH2-OE1 2.6Å; R583-E762 IonicContact NH2-OE2 3.9Å; R583-E762 PolarHBondContact NH2-OE2 2.87Å; R707-E762 PolarHBondContact NH2-O 3.45Å; R758-E762 WeakPolarHBondContact O-CB 3.44Å; R758-E762 WeakPolarHBondContact O-CG 3.48Å; R758-E762 PolarHBondContact O-N 3.33Å; Y759-E762 WeakPolarHBondContact CD2-OE1 3.1Å; E762-L764 PolarHBondContact O-N 3.05Å; E762-L764 VanDerWaalsContact O-N 3.15Å
763G94.3Very high95.6Very high7 Ų723.6 Ų23.67%0.07212%0.12CC..THydrogen-bonded Turntrans76.8-12.3178.800000115G765 H766 L767G763-G765 VanDerWaalsContact C-N 3.29Å; G763-G765 PolarHBondContact O-N 3.01Å; G763-H766 PolarHBondContact O-N 3.48Å; G763-L767 PolarHBondContact O-N 3.14Å
764L97.6Very high95.5Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-58.9-37.9177.8-69.2-179.1000112.6A706 R707 L741 F761 E762 L767 I768 L801A706-L764 HydrophobicContact CB-CD2 4.49Å; R707-L764 HydrophobicContact CG-CD2 3.97Å; L741-L764 HydrophobicContact CD2-CD1 3.98Å; F761-L764 HydrophobicContact CB-CD1 4.35Å; F761-L764 HydrophobicContact CD1-CD1 3.86Å; F761-L764 WeakPolarHBondContact O-CB 3.32Å; F761-L764 WeakPolarHBondContact O-CD1 3.43Å; F761-L764 VanDerWaalsContact O-CG 3.27Å; F761-L764 WeakPolarHBondContact O-CG 3.48Å; E762-L764 PolarHBondContact O-N 3.05Å; E762-L764 VanDerWaalsContact O-N 3.15Å; L764-L767 PolarHBondContact O-N 3.46Å; L764-I768 HydrophobicContact CB-CD1 4.45Å; L764-I768 WeakPolarHBondContact O-CB 3.44Å; L764-I768 WeakPolarHBondContact O-CD1 3.4Å; L764-I768 VanDerWaalsContact O-CG1 3.25Å; L764-I768 WeakPolarHBondContact O-CG1 3.11Å; L764-I768 PolarHBondContact O-N 3.37Å; L764-L801 HydrophobicContact CB-CD1 3.99Å; L764-L801 HydrophobicContact CB-CD2 4.02Å; L764-L801 HydrophobicContact CD1-CD2 4.02Å
765G96.8Very high95.4Very high1 Ų121.2 Ų21.21%0.0110%0.103CC..Hα-helixtrans-60.2-47.3177.300000112.7G763 S769 E809G763-G765 VanDerWaalsContact C-N 3.29Å; G763-G765 PolarHBondContact O-N 3.01Å; G765-S769 VanDerWaalsContact O-CB 3.24Å; G765-S769 WeakPolarHBondContact O-CB 3.46Å; G765-S769 PolarHBondContact O-N 3.18Å; G765-E809 WeakPolarHBondContact CA-OE2 3.43Å
766H97Very high95.4Very high27 Ų2719 Ų1913%0.1259%0.089CC..Hα-helixtrans-64.4-43.1175.2-175.2-71.5000111.8N584 S585 S588 G763 S769 T770 D811N584-H766 HydrophobicContact CB-CB 3.78Å; N584-H766 PolarHBondContact O-ND1 3.23Å; S585-H766 WeakPolarHBondContact CA-CE1 3.36Å; S588-H766 WeakPolarHBondContact CB-ND1 3.36Å; S588-H766 PolarHBondContact OG-ND1 2.98Å; G763-H766 PolarHBondContact O-N 3.48Å; H766-S769 WeakPolarHBondContact O-CB 3.34Å; H766-S769 PolarHBondContact O-N 3.02Å; H766-T770 PolarHBondContact CE1-OG1 3.17Å; H766-T770 PolarHBondContact ND1-OG1 3.06Å; H766-T770 WeakPolarHBondContact O-CB 3.27Å; H766-T770 PolarHBondContact O-N 3.45Å; H766-T770 PolarHBondContact O-OG1 3.44Å; H766-D811 HydrophobicContact CB-CB 4.26Å; H766-D811 IonicContact CD2-OD1 3.96Å
767L98.1Very high95.1Very high1 Ų123 Ų231%0.00511%0.107CC..Hα-helixtrans-60.1-49.5178.5176.460.9000111.3S588 L591 R707 C710 F711 G763 L764 T770 I771S588-L767 WeakPolarHBondContact OG-CA 3.41Å; S588-L767 PolarHBondContact OG-N 3.1Å; L591-L767 HydrophobicContact CB-CD1 4.32Å; L591-L767 HydrophobicContact CD1-CD1 4.13Å; L591-L767 HydrophobicContact CD1-CD2 3.91Å; R707-L767 HydrophobicContact CB-CD2 3.75Å; R707-L767 HydrophobicContact CG-CD2 3.73Å; C710-L767 HydrophobicContact CB-CD2 4.3Å; F711-L767 HydrophobicContact CE2-CD1 4.02Å; F711-L767 HydrophobicContact CE2-CD2 4.13Å; F711-L767 HydrophobicContact CZ-CD1 3.74Å; G763-L767 PolarHBondContact O-N 3.14Å; L764-L767 PolarHBondContact O-N 3.46Å; L767-T770 WeakPolarHBondContact O-CB 3.32Å; L767-T770 PolarHBondContact O-N 2.97Å; L767-I771 HydrophobicContact CD1-CD1 4.27Å; L767-I771 HydrophobicContact CD1-CG1 4.48Å; L767-I771 HydrophobicContact CG-CD1 4.09Å; L767-I771 WeakPolarHBondContact O-CG1 3.29Å; L767-I771 PolarHBondContact O-N 3.45Å
768I98.1Very high94.8Very high0 Ų025.7 Ų25.70%012%0.116CC..Hα-helixtrans-64.7-41.9-180-69.2161.3000110.7C710 L714 L737 L764 T770 I771 F772 V797 L801 L812C710-I768 HydrophobicContact CB-CG1 4.09Å; L714-I768 HydrophobicContact CD1-CB 4.28Å; L714-I768 HydrophobicContact CD1-CG1 4Å; L714-I768 HydrophobicContact CD1-CG2 3.74Å; L737-I768 HydrophobicContact CD2-CD1 4.43Å; L764-I768 HydrophobicContact CB-CD1 4.45Å; L764-I768 WeakPolarHBondContact O-CB 3.44Å; L764-I768 WeakPolarHBondContact O-CD1 3.4Å; L764-I768 VanDerWaalsContact O-CG1 3.25Å; L764-I768 WeakPolarHBondContact O-CG1 3.11Å; L764-I768 PolarHBondContact O-N 3.37Å; I768-T770 VanDerWaalsContact C-N 3.3Å; I768-T770 PolarHBondContact O-N 3.29Å; I768-I771 PolarHBondContact O-N 2.94Å; I768-F772 HydrophobicContact CG2-CD2 3.67Å; I768-F772 HydrophobicContact CG2-CE2 3.57Å; I768-F772 VanDerWaalsContact O-CD2 3.29Å; I768-F772 WeakPolarHBondContact O-CD2 3.5Å; I768-F772 PolarHBondContact O-N 3.5Å; I768-V797 HydrophobicContact CD1-CG1 3.53Å; I768-V797 HydrophobicContact CG2-CG1 4.05Å; I768-L801 HydrophobicContact CD1-CD1 3.81Å; I768-L812 HydrophobicContact CB-CD2 4.11Å; I768-L812 HydrophobicContact CG2-CD2 3.72Å
769S97.6Very high94.6Very high6 Ų616.9 Ų16.94%0.0428%0.084CC..Hα-helixtrans-54.6-47.1172.3176.70000111.6G765 H766 I771 F772 I773 D811 A815G765-S769 VanDerWaalsContact O-CB 3.24Å; G765-S769 WeakPolarHBondContact O-CB 3.46Å; G765-S769 PolarHBondContact O-N 3.18Å; H766-S769 WeakPolarHBondContact O-CB 3.34Å; H766-S769 PolarHBondContact O-N 3.02Å; S769-I771 PolarHBondContact O-N 3.34Å; S769-F772 PolarHBondContact O-N 2.93Å; S769-I773 WeakPolarHBondContact O-CG1 3.27Å; S769-I773 PolarHBondContact O-N 3Å; S769-D811 VanDerWaalsContact CB-O 3.22Å; S769-D811 WeakPolarHBondContact CB-O 3.29Å; S769-D811 PolarHBondContact OG-O 3.45Å; S769-A815 WeakPolarHBondContact OG-CB 3.27Å
770T96.8Very high94.3Very high36 Ų3621.9 Ų21.922%0.22111%0.114CC..Hα-helixtrans-63.5-40.4178.3-52.80000111.9M592 H766 L767 I768 S774M592-T770 HydrophobicContact CG-CG2 3.76Å; M592-T770 HydrophobicContact SD-CG2 4.35Å; H766-T770 PolarHBondContact CE1-OG1 3.17Å; H766-T770 PolarHBondContact ND1-OG1 3.06Å; H766-T770 WeakPolarHBondContact O-CB 3.27Å; H766-T770 PolarHBondContact O-N 3.45Å; H766-T770 PolarHBondContact O-OG1 3.44Å; L767-T770 WeakPolarHBondContact O-CB 3.32Å; L767-T770 PolarHBondContact O-N 2.97Å; I768-T770 VanDerWaalsContact C-N 3.3Å; I768-T770 PolarHBondContact O-N 3.29Å; T770-S774 VanDerWaalsContact O-CB 3.26Å; T770-S774 WeakPolarHBondContact O-CB 3.4Å; T770-S774 PolarHBondContact O-N 3.04Å; T770-S774 PolarHBondContact O-OG 3.04Å
771I96.1Very high93.9Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-62.4-44.6175.7-67.3165.7000110.7M592 C710 F711 L714 I718 L767 I768 S769 S774 G775M592-I771 HydrophobicContact SD-CG1 3.77Å; C710-I771 HydrophobicContact CB-CD1 4.12Å; F711-I771 HydrophobicContact CD1-CD1 3.91Å; F711-I771 HydrophobicContact CD1-CG1 4.28Å; F711-I771 HydrophobicContact CE1-CD1 3.95Å; F711-I771 HydrophobicContact CE1-CG1 4.01Å; F711-I771 HydrophobicContact CG-CD1 4.31Å; F711-I771 HydrophobicContact CZ-CD1 4.35Å; L714-I771 HydrophobicContact CB-CG2 3.7Å; L714-I771 HydrophobicContact CD1-CB 4.44Å; L714-I771 HydrophobicContact CD1-CD1 4.24Å; L714-I771 HydrophobicContact CD1-CG2 4.17Å; I718-I771 HydrophobicContact CD1-CG2 4.03Å; L767-I771 HydrophobicContact CD1-CD1 4.27Å; L767-I771 HydrophobicContact CD1-CG1 4.48Å; L767-I771 HydrophobicContact CG-CD1 4.09Å; L767-I771 WeakPolarHBondContact O-CG1 3.29Å; L767-I771 PolarHBondContact O-N 3.45Å; I768-I771 PolarHBondContact O-N 2.94Å; S769-I771 PolarHBondContact O-N 3.34Å; I771-S774 PolarHBondContact O-OG 2.74Å; I771-S774 VanDerWaalsContact O-OG 3.1Å; I771-G775 PolarHBondContact O-N 3.31Å
772F95.6Very high93.5Very high3 Ų328.7 Ų28.71%0.01314%0.141CC..Hα-helixtrans-65.9-46.4178-84.1-67.9000112.5L714 L717 I718 I768 S769 G775 I790 D793 I794 A815 Y819L714-F772 HydrophobicContact CD1-CE2 4.26Å; L714-F772 HydrophobicContact CD2-CE2 4.22Å; L714-F772 HydrophobicContact CD2-CZ 3.91Å; L717-F772 HydrophobicContact CD2-CE1 4.45Å; I718-F772 HydrophobicContact CG2-CD1 4.38Å; I768-F772 HydrophobicContact CG2-CD2 3.67Å; I768-F772 HydrophobicContact CG2-CE2 3.57Å; I768-F772 VanDerWaalsContact O-CD2 3.29Å; I768-F772 WeakPolarHBondContact O-CD2 3.5Å; I768-F772 PolarHBondContact O-N 3.5Å; S769-F772 PolarHBondContact O-N 2.93Å; F772-G775 PolarHBondContact O-N 2.9Å; F772-I790 HydrophobicContact CD1-CG2 4.22Å; F772-D793 HydrophobicContact CZ-CB 4.29Å; F772-I794 HydrophobicContact CB-CD1 4.29Å; F772-I794 HydrophobicContact CB-CG1 4.44Å; F772-I794 HydrophobicContact CD1-CD1 4.33Å; F772-I794 HydrophobicContact CD1-CG1 4.03Å; F772-I794 HydrophobicContact CD2-CD1 4.44Å; F772-I794 HydrophobicContact CD2-CG1 3.7Å; F772-I794 HydrophobicContact CE1-CG1 4.15Å; F772-I794 HydrophobicContact CE2-CG1 3.82Å; F772-I794 HydrophobicContact CG-CD1 4.12Å; F772-I794 HydrophobicContact CG-CG1 3.81Å; F772-I794 HydrophobicContact CZ-CG1 4.05Å; F772-A815 HydrophobicContact CB-CB 4.47Å; F772-Y819 HydrophobicContact CB-CE2 4.26Å; F772-Y819 WeakPolarHBondContact O-CE2 3.47Å; F772-Y819 PolarHBondContact O-OH 3.12Å
773I95.6Very high93.3Very high17 Ų1727.6 Ų27.69%0.08714%0.139CC..Hα-helixtrans-63.1-49.9-179.5-68.5169.8000110.3S769 G775 C776 A815 F818 F840 D844S769-I773 WeakPolarHBondContact O-CG1 3.27Å; S769-I773 PolarHBondContact O-N 3Å; I773-G775 PolarHBondContact O-N 3.48Å; I773-C776 WeakPolarHBondContact O-CB 3.42Å; I773-C776 PolarHBondContact O-N 2.67Å; I773-C776 VanDerWaalsContact O-N 3.16Å; I773-A815 HydrophobicContact CD1-CB 4.33Å; I773-A815 HydrophobicContact CG1-CB 4.16Å; I773-F818 HydrophobicContact CB-CD1 4.46Å; I773-F818 HydrophobicContact CG1-CB 4.27Å; I773-F818 HydrophobicContact CG1-CD1 4.11Å; I773-F818 HydrophobicContact CG1-CG 4.13Å; I773-F818 HydrophobicContact CG2-CD1 4.32Å; I773-F818 HydrophobicContact CG2-CD2 4.44Å; I773-F818 HydrophobicContact CG2-CE1 4.11Å; I773-F818 HydrophobicContact CG2-CE2 4.24Å; I773-F818 HydrophobicContact CG2-CG 4.47Å; I773-F818 HydrophobicContact CG2-CZ 4.06Å; I773-F840 HydrophobicContact CD1-CD1 4.2Å; I773-F840 HydrophobicContact CD1-CE1 4.07Å; I773-D844 HydrophobicContact CG2-CB 3.87Å
774S92.2Very high93Very high20 Ų2031.6 Ų31.614%0.1416%0.158CC..Hα-helixtrans-63.2-29.7177.463.50000112.6M592 T770 I771 C776 Q777M592-S774 WeakPolarHBondContact CE-OG 3.28Å; T770-S774 VanDerWaalsContact O-CB 3.26Å; T770-S774 WeakPolarHBondContact O-CB 3.4Å; T770-S774 PolarHBondContact O-N 3.04Å; T770-S774 PolarHBondContact O-OG 3.04Å; I771-S774 PolarHBondContact O-OG 2.74Å; I771-S774 VanDerWaalsContact O-OG 3.1Å; S774-C776 PolarHBondContact O-N 3.33Å; S774-Q777 WeakPolarHBondContact O-CG 3.31Å; S774-Q777 PolarHBondContact O-N 2.89Å; S774-Q777 PolarHBondContact O-NE2 3.24Å
775G90.6Very high92.5Very high0 Ų034.8 Ų34.80%018%0.178CC..Hα-helixtrans-58.3-25.6175.600000114.4I771 F772 I773 Q777 Y778I771-G775 PolarHBondContact O-N 3.31Å; F772-G775 PolarHBondContact O-N 2.9Å; I773-G775 PolarHBondContact O-N 3.48Å; G775-Q777 PolarHBondContact O-N 3.44Å; G775-Q777 VanDerWaalsContact O-N 3.08Å; G775-Y778 PolarHBondContact O-N 3.47Å
776C92.1Very high92.1Very high0 Ų034.8 Ų34.80%018%0.178CC..G310 helixtrans-54.2-32179-178.30000113I773 S774 Y778 I779 F818 Y819 L851I773-C776 WeakPolarHBondContact O-CB 3.42Å; I773-C776 PolarHBondContact O-N 2.67Å; I773-C776 VanDerWaalsContact O-N 3.16Å; S774-C776 PolarHBondContact O-N 3.33Å; C776-Y778 PolarHBondContact O-N 2.88Å; C776-I779 PolarHBondContact O-N 3.43Å; C776-F818 HydrophobicContact CB-CE1 3.79Å; C776-F818 HydrophobicContact CB-CZ 4.31Å; C776-Y819 PolarHBondContact N-OH 2.87Å; C776-L851 VanDerWaalsContact SG-CD2 3.6Å
777Q90.4Very high91.8Very high84 Ų8434.7 Ų34.739%0.39318%0.177SC..G310 helixtrans-66.2-24.6179.978.1-167.4-33.200113.4S774 G775 N847S774-Q777 WeakPolarHBondContact O-CG 3.31Å; S774-Q777 PolarHBondContact O-N 2.89Å; S774-Q777 PolarHBondContact O-NE2 3.24Å; G775-Q777 PolarHBondContact O-N 3.44Å; G775-Q777 VanDerWaalsContact O-N 3.08Å; Q777-N847 HydrophobicContact CB-CB 4.45Å
778Y88.7Confident91.5Very high85 Ų8540.8 Ų40.833%0.33320%0.204SC..G310 helixtrans-90.1-11.3-178.4-56.2-60.6000113.2I718 R719 G775 C776 V780I718-Y778 HydrophobicContact CD1-CD2 4.48Å; R719-Y778 HydrophobicContact CG-CD2 4.24Å; R719-Y778 HydrophobicContact CG-CG 4.23Å; R719-Y778 PolarHBondContact NH2-OH 2.72Å; G775-Y778 PolarHBondContact O-N 3.47Å; C776-Y778 PolarHBondContact O-N 2.88Å; Y778-V780 PolarHBondContact O-N 2.95Å
779I88.7Confident91.1Very high3 Ų342 Ų422%0.01521%0.208CC..  trans-77.5119.8-179.4-55.2179.6000109.4F723 C776 I782 I790 Y819 L851 R854F723-I779 HydrophobicContact CD2-CG2 3.85Å; F723-I779 HydrophobicContact CE1-CD1 4.34Å; F723-I779 HydrophobicContact CE2-CB 4.21Å; F723-I779 HydrophobicContact CE2-CD1 4.35Å; F723-I779 HydrophobicContact CE2-CG1 3.86Å; F723-I779 HydrophobicContact CE2-CG2 3.7Å; F723-I779 HydrophobicContact CZ-CD1 3.89Å; F723-I779 HydrophobicContact CZ-CG1 3.79Å; F723-I779 HydrophobicContact CZ-CG2 4.26Å; C776-I779 PolarHBondContact O-N 3.43Å; I779-I782 HydrophobicContact CG2-CB 4.16Å; I779-I790 HydrophobicContact CD1-CD1 3.96Å; I779-Y819 HydrophobicContact CD1-CE1 3.98Å; I779-L851 HydrophobicContact CB-CD1 3.91Å; I779-L851 HydrophobicContact CB-CD2 4.01Å; I779-L851 HydrophobicContact CD1-CD2 4.17Å; I779-L851 HydrophobicContact CG2-CD1 3.54Å; I779-L851 HydrophobicContact CG2-CD2 4.03Å; I779-L851 HydrophobicContact CG2-CG 4.46Å; I779-L851 WeakPolarHBondContact O-CD1 3.5Å; I779-R854 PolarHBondContact O-NH2 3.31Å
780V88.1Confident90.8Very high110 Ų11042.2 Ų42.267%0.66721%0.209SC*.SBendtrans-72.4-55.9-179.5-178.70000110.8Y778 R854Y778-V780 PolarHBondContact O-N 2.95Å; V780-R854 PolarHBondContact O-NE 2.83Å
781R87.7Confident90.7Very high138 Ų13841.2 Ų41.252%0.52120%0.203SC..  trans-144.5148.4174.9-71-171.6173.7-174.7-2.1109.9R854 S855R781-R854 PolarHBondContact NE-O 2.88Å; R781-S855 WeakPolarHBondContact CA-OG 3.46Å
782I88.6Confident90.6Very high14 Ų1444 Ų447%0.07221%0.214CC..  trans-128.3138.3-179.6-164.4169.1000111.8I779 K787 I790 L822 L851 S855I779-I782 HydrophobicContact CG2-CB 4.16Å; I782-K787 HydrophobicContact CD1-CG 3.89Å; I782-K787 HydrophobicContact CG1-CG 4.13Å; I782-I790 HydrophobicContact CD1-CD1 3.82Å; I782-L822 HydrophobicContact CD1-CD1 4.01Å; I782-L822 HydrophobicContact CG2-CD1 4.22Å; I782-L851 HydrophobicContact CB-CD1 4.19Å; I782-L851 HydrophobicContact CB-CD2 4.41Å; I782-L851 HydrophobicContact CG2-CD1 3.94Å; I782-L851 HydrophobicContact CG2-CD2 4.02Å; I782-L851 HydrophobicContact CG2-CG 3.88Å; I782-S855 PolarHBondContact N-OG 3.02Å
783S88.7Confident90.5Very high28 Ų2843.9 Ų43.920%0.19621%0.213CC..  trans-101.6168.4174.265.30000110.7F723 T785 G786 K787F723-S783 PolarHBondContact O-OG 3.17Å; S783-T785 VanDerWaalsContact C-N 3.25Å; S783-T785 PolarHBondContact O-N 2.7Å; S783-T785 PolarHBondContact OG-OG1 3.32Å; S783-G786 WeakPolarHBondContact O-CA 3.32Å; S783-G786 PolarHBondContact O-N 2.8Å; S783-G786 VanDerWaalsContact O-N 3.07Å; S783-G786 PolarHBondContact OG-N 3.32Å; S783-G786 VanDerWaalsContact OG-N 3.09Å; S783-K787 WeakPolarHBondContact O-CG 3.44Å; S783-K787 PolarHBondContact O-N 3.45Å
784D88.9Confident90.6Very high90 Ų9043.1 Ų43.148%0.48121%0.209SC..Hα-helixtrans-63.2-31.3174.6-66.8-36.7000112.9G786 K787 K788D784-G786 VanDerWaalsContact C-N 3.34Å; D784-K787 PolarHBondContact O-N 3Å; D784-K787 WeakPolarHBondContact OD1-CE 3.48Å; D784-K787 IonicContact OD1-NZ 3.22Å; D784-K787 PolarHBondContact OD1-NZ 2.99Å; D784-K788 WeakPolarHBondContact O-CG 3.36Å; D784-K788 PolarHBondContact O-N 3.29Å; D784-K788 VanDerWaalsContact O-N 3.09Å
785T86.4Confident90.8Very high68 Ų6847.5 Ų47.542%0.41723%0.226SC..Hα-helixtrans-67.2-38.4172.355.50000111.1S783 K788 R789S783-T785 VanDerWaalsContact C-N 3.25Å; S783-T785 PolarHBondContact O-N 2.7Å; S783-T785 PolarHBondContact OG-OG1 3.32Å; T785-K788 PolarHBondContact O-N 3.47Å; T785-R789 WeakPolarHBondContact O-CB 3.27Å; T785-R789 PolarHBondContact O-N 3.27Å
786G88.2Confident91.1Very high1 Ų148.8 Ų48.81%0.0124%0.235CC..Hα-helixtrans-61.2-43.3172.300000113S783 D784 R789 I790S783-G786 WeakPolarHBondContact O-CA 3.32Å; S783-G786 PolarHBondContact O-N 2.8Å; S783-G786 VanDerWaalsContact O-N 3.07Å; S783-G786 PolarHBondContact OG-N 3.32Å; S783-G786 VanDerWaalsContact OG-N 3.09Å; D784-G786 VanDerWaalsContact C-N 3.34Å; G786-R789 WeakPolarHBondContact O-CB 3.3Å; G786-R789 PolarHBondContact O-N 3.33Å; G786-I790 WeakPolarHBondContact O-CG1 3.41Å; G786-I790 PolarHBondContact O-N 3.16Å; G786-I790 VanDerWaalsContact O-N 3.07Å
787K90.5Very high91.4Very high24 Ų2448.8 Ų48.810%0.10424%0.235CC..Hα-helixtrans-59.7-47.9175-62.6170.3-158.6170.20111.3I782 S783 D784 R789 I790 C791 L822 Y823I782-K787 HydrophobicContact CD1-CG 3.89Å; I782-K787 HydrophobicContact CG1-CG 4.13Å; S783-K787 WeakPolarHBondContact O-CG 3.44Å; S783-K787 PolarHBondContact O-N 3.45Å; D784-K787 PolarHBondContact O-N 3Å; D784-K787 WeakPolarHBondContact OD1-CE 3.48Å; D784-K787 IonicContact OD1-NZ 3.22Å; D784-K787 PolarHBondContact OD1-NZ 2.99Å; K787-R789 VanDerWaalsContact C-N 3.34Å; K787-R789 PolarHBondContact O-N 3.04Å; K787-I790 PolarHBondContact O-N 2.92Å; K787-C791 PolarHBondContact O-N 3.17Å; K787-C791 VanDerWaalsContact O-N 3.08Å; K787-C791 PolarHBondContact O-SG 2.74Å; K787-L822 HydrophobicContact CD-CB 3.9Å; K787-L822 VanDerWaalsContact CE-O 3.26Å; K787-L822 WeakPolarHBondContact CE-O 3.38Å; K787-L822 HydrophobicContact CG-CB 4.22Å; K787-L822 PolarHBondContact NZ-O 2.84Å; K787-Y823 HydrophobicContact CB-CE1 4.17Å; K787-Y823 HydrophobicContact CB-CE2 4.17Å; K787-Y823 WeakPolarHBondContact CB-OH 3.38Å; K787-Y823 HydrophobicContact CD-CD1 3.86Å; K787-Y823 HydrophobicContact CD-CE1 3.69Å; K787-Y823 HydrophobicContact CD-CE2 4.37Å; K787-Y823 HydrophobicContact CD-CG 4.28Å
788K91Very high91.8Very high130 Ų13045.7 Ų45.757%0.56522%0.22SC*.Hα-helixtrans-62.2-39.3177.7-70.4-179-176.6-179.60112.6D784 T785 R792 Y823D784-K788 WeakPolarHBondContact O-CG 3.36Å; D784-K788 PolarHBondContact O-N 3.29Å; D784-K788 VanDerWaalsContact O-N 3.09Å; T785-K788 PolarHBondContact O-N 3.47Å; K788-R792 VanDerWaalsContact O-CB 3.29Å; K788-R792 WeakPolarHBondContact O-CB 3.41Å; K788-R792 PolarHBondContact O-N 2.82Å; K788-Y823 VanDerWaalsContact CG-OH 3.24Å; K788-Y823 WeakPolarHBondContact CG-OH 3.41Å
789R90.5Very high92.2Very high26 Ų2646 Ų4610%0.09823%0.225CC..Hα-helixtrans-59.8-56.7176.5176.5-179.8174.1-153.7-2.9111.1M722 D731 T785 G786 K787 C791 R792 D793M722-R789 PolarHBondContact O-NH1 3.47Å; D731-R789 VanDerWaalsContact CG-NE 3.27Å; D731-R789 IonicContact OD1-CZ 3.4Å; D731-R789 VanDerWaalsContact OD1-CZ 3.23Å; D731-R789 IonicContact OD1-NE 2.74Å; D731-R789 PolarHBondContact OD1-NE 3.33Å; D731-R789 VanDerWaalsContact OD1-NE 3.07Å; D731-R789 IonicContact OD1-NH2 3.49Å; D731-R789 PolarHBondContact OD1-NH2 2.89Å; D731-R789 IonicContact OD2-CZ 3.88Å; D731-R789 VanDerWaalsContact OD2-CZ 3.24Å; D731-R789 IonicContact OD2-NE 3.29Å; D731-R789 PolarHBondContact OD2-NE 3.33Å; D731-R789 IonicContact OD2-NH2 2.73Å; D731-R789 PolarHBondContact OD2-NH2 2.99Å; D731-R789 VanDerWaalsContact OD2-NH2 3.12Å; T785-R789 WeakPolarHBondContact O-CB 3.27Å; T785-R789 PolarHBondContact O-N 3.27Å; G786-R789 WeakPolarHBondContact O-CB 3.3Å; G786-R789 PolarHBondContact O-N 3.33Å; K787-R789 VanDerWaalsContact C-N 3.34Å; K787-R789 PolarHBondContact O-N 3.04Å; R789-C791 VanDerWaalsContact C-N 3.31Å; R789-C791 PolarHBondContact O-N 3.46Å; R789-R792 WeakPolarHBondContact O-CA 3.15Å; R789-R792 WeakPolarHBondContact O-CB 3.3Å; R789-R792 PolarHBondContact O-N 3.35Å; R789-D793 PolarHBondContact O-N 3.07Å; R789-D793 VanDerWaalsContact O-OD2 3.08Å
790I92.3Very high92.6Very high10 Ų1046.3 Ų46.35%0.05123%0.227CC..Hα-helixtrans-57.5-44179.4-62.7171.4000111.2F723 F772 I779 I782 G786 K787 R792 D793 I794 Y819F723-I790 HydrophobicContact CD1-CD1 4.42Å; F723-I790 HydrophobicContact CE1-CD1 3.84Å; F723-I790 HydrophobicContact CE1-CG1 4.19Å; F772-I790 HydrophobicContact CD1-CG2 4.22Å; I779-I790 HydrophobicContact CD1-CD1 3.96Å; I782-I790 HydrophobicContact CD1-CD1 3.82Å; G786-I790 WeakPolarHBondContact O-CG1 3.41Å; G786-I790 PolarHBondContact O-N 3.16Å; G786-I790 VanDerWaalsContact O-N 3.07Å; K787-I790 PolarHBondContact O-N 2.92Å; I790-R792 VanDerWaalsContact C-N 3.32Å; I790-R792 PolarHBondContact O-N 3.11Å; I790-D793 PolarHBondContact O-N 3.44Å; I790-I794 HydrophobicContact CG2-CD1 3.75Å; I790-I794 HydrophobicContact CG2-CG1 4.37Å; I790-I794 VanDerWaalsContact O-CG1 3.27Å; I790-I794 WeakPolarHBondContact O-CG1 3.4Å; I790-I794 PolarHBondContact O-N 3.28Å; I790-Y819 HydrophobicContact CD1-CD1 3.85Å; I790-Y819 HydrophobicContact CD1-CE1 3.56Å; I790-Y819 HydrophobicContact CG2-CD1 4.02Å; I790-Y819 HydrophobicContact CG2-CD2 3.62Å; I790-Y819 HydrophobicContact CG2-CE1 4.12Å; I790-Y819 HydrophobicContact CG2-CE2 3.73Å; I790-Y819 HydrophobicContact CG2-CG 3.78Å
791C94.2Very high93Very high15 Ų1541 Ų4110%0.10120%0.195CC..Hα-helixtrans-63.7-36.9178.2-65.60000112.6K787 R789 F795 R816K787-C791 PolarHBondContact O-N 3.17Å; K787-C791 VanDerWaalsContact O-N 3.08Å; K787-C791 PolarHBondContact O-SG 2.74Å; R789-C791 VanDerWaalsContact C-N 3.31Å; R789-C791 PolarHBondContact O-N 3.46Å; C791-F795 WeakPolarHBondContact O-CB 3.42Å; C791-F795 PolarHBondContact O-N 3.18Å; C791-R816 HydrophobicContact CB-CG 4.04Å
792R93.3Very high93.5Very high58 Ų5835.9 Ų35.922%0.21918%0.18CC..Hα-helixtrans-67.5-40.7175.8175.3-179.561.4-119.95.2111.5S727 Q728 E729 V730 K788 R789 I790 F795 S796S727-R792 PolarHBondContact O-NH2 3.25Å; Q728-R792 VanDerWaalsContact C-CZ 3.41Å; Q728-R792 WeakPolarHBondContact O-CD 3.39Å; Q728-R792 VanDerWaalsContact O-CZ 3.25Å; Q728-R792 PolarHBondContact O-NE 2.86Å; Q728-R792 PolarHBondContact O-NH1 2.96Å; E729-R792 PolarHBondContact O-NE 3Å; E729-R792 PolarHBondContact O-NH2 3.25Å; V730-R792 HydrophobicContact CG2-CG 3.9Å; K788-R792 VanDerWaalsContact O-CB 3.29Å; K788-R792 WeakPolarHBondContact O-CB 3.41Å; K788-R792 PolarHBondContact O-N 2.82Å; R789-R792 WeakPolarHBondContact O-CA 3.15Å; R789-R792 WeakPolarHBondContact O-CB 3.3Å; R789-R792 PolarHBondContact O-N 3.35Å; I790-R792 VanDerWaalsContact C-N 3.32Å; I790-R792 PolarHBondContact O-N 3.11Å; R792-F795 PolarHBondContact O-N 3.15Å; R792-S796 WeakPolarHBondContact O-CB 3.47Å; R792-S796 PolarHBondContact O-N 3.41Å
793D94.6Very high93.8Very high1 Ų140.6 Ų40.61%0.00521%0.205CC..Hα-helixtrans-64.9-46.5176.7-65-35.5000111.6V730 D731 V734 F772 R789 I790 F795 S796 V797V730-D793 WeakPolarHBondContact CG1-OD1 3.31Å; D731-D793 PolarHBondContact N-OD1 3.35Å; V734-D793 HydrophobicContact CG1-CB 4.48Å; V734-D793 HydrophobicContact CG2-CB 3.78Å; F772-D793 HydrophobicContact CZ-CB 4.29Å; R789-D793 PolarHBondContact O-N 3.07Å; R789-D793 VanDerWaalsContact O-OD2 3.08Å; I790-D793 PolarHBondContact O-N 3.44Å; D793-F795 VanDerWaalsContact C-N 3.31Å; D793-F795 PolarHBondContact O-N 2.78Å; D793-S796 WeakPolarHBondContact O-CB 3.27Å; D793-S796 PolarHBondContact O-N 3.07Å; D793-V797 PolarHBondContact O-N 3.5Å
794I97.2Very high94.1Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-56.9-47174.3-68.8167.1000110.2F772 I790 S796 V797 Q798 L812 A815 R816 Y819F772-I794 HydrophobicContact CB-CD1 4.29Å; F772-I794 HydrophobicContact CB-CG1 4.44Å; F772-I794 HydrophobicContact CD1-CD1 4.33Å; F772-I794 HydrophobicContact CD1-CG1 4.03Å; F772-I794 HydrophobicContact CD2-CD1 4.44Å; F772-I794 HydrophobicContact CD2-CG1 3.7Å; F772-I794 HydrophobicContact CE1-CG1 4.15Å; F772-I794 HydrophobicContact CE2-CG1 3.82Å; F772-I794 HydrophobicContact CG-CD1 4.12Å; F772-I794 HydrophobicContact CG-CG1 3.81Å; F772-I794 HydrophobicContact CZ-CG1 4.05Å; I790-I794 HydrophobicContact CG2-CD1 3.75Å; I790-I794 HydrophobicContact CG2-CG1 4.37Å; I790-I794 VanDerWaalsContact O-CG1 3.27Å; I790-I794 WeakPolarHBondContact O-CG1 3.4Å; I790-I794 PolarHBondContact O-N 3.28Å; I794-S796 VanDerWaalsContact C-N 3.34Å; I794-S796 PolarHBondContact O-N 3.29Å; I794-V797 PolarHBondContact O-N 3.49Å; I794-Q798 VanDerWaalsContact O-CB 3.32Å; I794-Q798 WeakPolarHBondContact O-CB 3.21Å; I794-Q798 PolarHBondContact O-N 2.92Å; I794-L812 HydrophobicContact CG2-CB 4.16Å; I794-L812 HydrophobicContact CG2-CD2 4.28Å; I794-L812 VanDerWaalsContact CG2-O 3.25Å; I794-L812 WeakPolarHBondContact CG2-O 3.32Å; I794-A815 HydrophobicContact CD1-CB 4.04Å; I794-A815 HydrophobicContact CG2-CB 4.41Å; I794-R816 HydrophobicContact CG2-CB 4.11Å; I794-Y819 HydrophobicContact CD1-CD2 3.98Å; I794-Y819 HydrophobicContact CD1-CE2 4.45Å
795F96.7Very high94.2Very high113 Ų11338.7 Ų38.750%0.49620%0.195SC..Hα-helixtrans-62.3-39.6177.8-179.8-99.4000112.6C791 R792 D793 Q798 Q799C791-F795 WeakPolarHBondContact O-CB 3.42Å; C791-F795 PolarHBondContact O-N 3.18Å; R792-F795 PolarHBondContact O-N 3.15Å; D793-F795 VanDerWaalsContact C-N 3.31Å; D793-F795 PolarHBondContact O-N 2.78Å; F795-Q798 WeakPolarHBondContact O-CB 3.12Å; F795-Q798 PolarHBondContact O-N 2.92Å; F795-Q799 PolarHBondContact O-N 2.96Å
796S97.2Very high94.3Very high26 Ų2639 Ų3918%0.18221%0.212CC..Hα-helixtrans-62.6-43.7177.3-1760000112.2N738 R792 D793 I794 C800N738-S796 PolarHBondContact ND2-O 2.7Å; N738-S796 VanDerWaalsContact ND2-O 3.12Å; N738-S796 PolarHBondContact ND2-OG 2.98Å; N738-S796 VanDerWaalsContact ND2-OG 3.17Å; R792-S796 WeakPolarHBondContact O-CB 3.47Å; R792-S796 PolarHBondContact O-N 3.41Å; D793-S796 WeakPolarHBondContact O-CB 3.27Å; D793-S796 PolarHBondContact O-N 3.07Å; I794-S796 VanDerWaalsContact C-N 3.34Å; I794-S796 PolarHBondContact O-N 3.29Å; S796-C800 PolarHBondContact O-N 2.93Å
797V97.9Very high94.3Very high0 Ų042 Ų420%023%0.232CC..Hα-helixtrans-68.9-37.8175.3-175.80000111.2V734 L737 I768 D793 I794 Q799 C800 L801 L812V734-V797 HydrophobicContact CG1-CG2 3.59Å; L737-V797 HydrophobicContact CD2-CG2 4.43Å; I768-V797 HydrophobicContact CD1-CG1 3.53Å; I768-V797 HydrophobicContact CG2-CG1 4.05Å; D793-V797 PolarHBondContact O-N 3.5Å; I794-V797 PolarHBondContact O-N 3.49Å; V797-Q799 PolarHBondContact O-N 3.3Å; V797-C800 PolarHBondContact O-N 3.23Å; V797-L801 HydrophobicContact CG1-CD1 4.16Å; V797-L801 HydrophobicContact CG1-CG 4.19Å; V797-L801 PolarHBondContact O-N 3.02Å; V797-L812 HydrophobicContact CG1-CD1 4.43Å
798Q97.9Very high94.3Very high20 Ų2051.7 Ų51.79%0.09327%0.268CS..Hα-helixtrans-59.1-46.6177.4-173.2-177300112I794 F795 S802 E809 L812 D813I794-Q798 VanDerWaalsContact O-CB 3.32Å; I794-Q798 WeakPolarHBondContact O-CB 3.21Å; I794-Q798 PolarHBondContact O-N 2.92Å; F795-Q798 WeakPolarHBondContact O-CB 3.12Å; F795-Q798 PolarHBondContact O-N 2.92Å; Q798-S802 WeakPolarHBondContact O-CB 3.2Å; Q798-S802 PolarHBondContact O-N 3.07Å; Q798-S802 PolarHBondContact O-OG 3.44Å; Q798-E809 HydrophobicContact CG-CB 4.12Å; Q798-L812 VanDerWaalsContact CA-CD1 3.45Å; Q798-L812 HydrophobicContact CB-CB 4Å; Q798-L812 HydrophobicContact CB-CD1 3.76Å; Q798-L812 HydrophobicContact CG-CB 3.99Å; Q798-L812 HydrophobicContact CG-CD1 4.21Å; Q798-D813 PolarHBondContact NE2-OD1 3.02Å; Q798-D813 PolarHBondContact NE2-OD2 2.92Å; Q798-D813 PolarHBondContact OE1-OD1 3.08Å
799Q96.7Very high94.4Very high91 Ų9146.3 Ų46.343%0.42525%0.245SC..Hα-helixtrans-61.9-48.3177.3-175.360.850.700110.9F795 V797 L801 S802 D803F795-Q799 PolarHBondContact O-N 2.96Å; V797-Q799 PolarHBondContact O-N 3.3Å; Q799-L801 PolarHBondContact O-N 3.18Å; Q799-S802 PolarHBondContact O-N 3.38Å; Q799-D803 PolarHBondContact NE2-OD1 2.98Å; Q799-D803 PolarHBondContact NE2-OD2 3.11Å; Q799-D803 VanDerWaalsContact O-CG 3.24Å; Q799-D803 PolarHBondContact O-N 3.13Å
800C97.9Very high94.5Very high9 Ų948.2 Ų48.26%0.06126%0.261CS..Hα-helixtrans-55.7-52.9178179.10000112.2N738 S796 V797 S802 D803 L804N738-C800 HydrophobicContact CB-CB 4.2Å; N738-C800 WeakPolarHBondContact OD1-CB 3.44Å; S796-C800 PolarHBondContact O-N 2.93Å; V797-C800 PolarHBondContact O-N 3.23Å; C800-S802 VanDerWaalsContact C-N 3.35Å; C800-S802 PolarHBondContact O-N 3.21Å; C800-D803 PolarHBondContact O-N 2.85Å; C800-L804 WeakPolarHBondContact O-CG 3.32Å; C800-L804 PolarHBondContact O-N 3.31Å; C800-L804 VanDerWaalsContact O-N 3.1Å
801L97.6Very high94.7Very high0 Ų048.9 Ų48.90%027%0.265CS..Hα-helixtrans-64.3-39179.5-72.1-175.6000112.5L741 L764 I768 V797 Q799 D803 L804 T805 E809 L812L741-L801 HydrophobicContact CD1-CD2 3.9Å; L764-L801 HydrophobicContact CB-CD1 3.99Å; L764-L801 HydrophobicContact CB-CD2 4.02Å; L764-L801 HydrophobicContact CD1-CD2 4.02Å; I768-L801 HydrophobicContact CD1-CD1 3.81Å; V797-L801 HydrophobicContact CG1-CD1 4.16Å; V797-L801 HydrophobicContact CG1-CG 4.19Å; V797-L801 PolarHBondContact O-N 3.02Å; Q799-L801 PolarHBondContact O-N 3.18Å; L801-D803 VanDerWaalsContact C-N 3.25Å; L801-D803 PolarHBondContact O-N 3.31Å; L801-L804 PolarHBondContact O-N 3.37Å; L801-L804 VanDerWaalsContact O-N 3.14Å; L801-T805 WeakPolarHBondContact O-CG2 3.43Å; L801-T805 PolarHBondContact O-N 3.42Å; L801-T805 PolarHBondContact O-OG1 3.41Å; L801-E809 HydrophobicContact CB-CG 3.83Å; L801-L812 HydrophobicContact CD1-CD1 4.08Å
802S96.3Very high94.8Very high30 Ų3048.2 Ų48.221%0.2126%0.26CS..Hα-helixtrans-60.7-38.1177.5-57.40000111.7Q798 Q799 C800 G806 S807Q798-S802 WeakPolarHBondContact O-CB 3.2Å; Q798-S802 PolarHBondContact O-N 3.07Å; Q798-S802 PolarHBondContact O-OG 3.44Å; Q799-S802 PolarHBondContact O-N 3.38Å; C800-S802 VanDerWaalsContact C-N 3.35Å; C800-S802 PolarHBondContact O-N 3.21Å; S802-G806 VanDerWaalsContact O-CA 3.3Å; S802-G806 WeakPolarHBondContact O-CA 3.17Å; S802-G806 PolarHBondContact O-N 2.93Å; S802-S807 WeakPolarHBondContact CA-O 3.37Å; S802-S807 WeakPolarHBondContact CB-O 3.49Å
803D95.6Very high94.9Very high112 Ų11247.1 Ų47.160%0.59926%0.259SS*.Hα-helixtrans-70.3-35.6176.9-65.1-27.9000112Q799 C800 L801Q799-D803 PolarHBondContact NE2-OD1 2.98Å; Q799-D803 PolarHBondContact NE2-OD2 3.11Å; Q799-D803 VanDerWaalsContact O-CG 3.24Å; Q799-D803 PolarHBondContact O-N 3.13Å; C800-D803 PolarHBondContact O-N 2.85Å; L801-D803 VanDerWaalsContact C-N 3.25Å; L801-D803 PolarHBondContact O-N 3.31Å
804L94.4Very high94.9Very high31 Ų3149 Ų4916%0.16227%0.267CS..Hα-helixtrans-77.1-43.1179.2-64-180000113.2L741 I742 N745 C800 L801L741-L804 HydrophobicContact CB-CD1 3.91Å; I742-L804 HydrophobicContact CG1-CD1 4.49Å; I742-L804 HydrophobicContact CG1-CD2 4.24Å; N745-L804 HydrophobicContact CB-CD1 4.5Å; N745-L804 HydrophobicContact CB-CD2 3.69Å; N745-L804 WeakPolarHBondContact ND2-CD2 3.46Å; C800-L804 WeakPolarHBondContact O-CG 3.32Å; C800-L804 PolarHBondContact O-N 3.31Å; C800-L804 VanDerWaalsContact O-N 3.1Å; L801-L804 PolarHBondContact O-N 3.37Å; L801-L804 VanDerWaalsContact O-N 3.14Å
805T90.9Very high94.9Very high47 Ų4749 Ų4929%0.28827%0.267SS..Hα-helixtrans-85.4-19.9-177.267.30000112.3F761 L801 S807 E809F761-T805 HydrophobicContact CB-CG2 4.39Å; L801-T805 WeakPolarHBondContact O-CG2 3.43Å; L801-T805 PolarHBondContact O-N 3.42Å; L801-T805 PolarHBondContact O-OG1 3.41Å; T805-S807 PolarHBondContact O-N 3.28Å; T805-S807 PolarHBondContact OG1-N 3.31Å; T805-S807 PolarHBondContact OG1-OG 3.35Å; T805-E809 PolarHBondContact OG1-OE1 3.42Å
806G89.4Confident94.9Very high75 Ų7546 Ų4677%0.77325%0.252SS*.SBendtrans65.920.3-171.500000112.8S802S802-G806 VanDerWaalsContact O-CA 3.3Å; S802-G806 WeakPolarHBondContact O-CA 3.17Å; S802-G806 PolarHBondContact O-N 2.93Å
807S88.4Confident94.8Very high63 Ų6349.5 Ų49.544%0.44126%0.262SS..SBendtrans-131.9161.7-175.476.20000111.3S802 T805S802-S807 WeakPolarHBondContact CA-O 3.37Å; S802-S807 WeakPolarHBondContact CB-O 3.49Å; T805-S807 PolarHBondContact O-N 3.28Å; T805-S807 PolarHBondContact OG1-N 3.31Å; T805-S807 PolarHBondContact OG1-OG 3.35Å
808R89.7Confident94.8Very high228 Ų22849.5 Ų49.586%0.8626%0.262SS*.  trans-77.7144.4175.1-68.4-174.8178.2-179.1-0.3109.7P810R808-P810 VanDerWaalsContact C-CD 3.42Å; R808-P810 WeakPolarHBondContact O-CD 3.45Å
809E93.7Very high94.7Very high17 Ų1748.6 Ų48.68%0.07926%0.258CS..  trans-107.773.7178.8-59.1-64.7158.400111.2G765 Q798 L801 T805 D811 L812G765-E809 WeakPolarHBondContact CA-OE2 3.43Å; Q798-E809 HydrophobicContact CG-CB 4.12Å; L801-E809 HydrophobicContact CB-CG 3.83Å; T805-E809 PolarHBondContact OG1-OE1 3.42Å; E809-D811 PolarHBondContact O-N 3Å; E809-L812 HydrophobicContact CB-CD1 4.07Å; E809-L812 HydrophobicContact CB-CG 4.5Å; E809-L812 PolarHBondContact O-N 2.96Å
810P93.2Very high94.6Very high66 Ų6648 Ų4843%0.42926%0.255SS..Hα-helixtrans-65.2-26-173.128.5-37.2000113.2R808 L812 D813 Q814R808-P810 VanDerWaalsContact C-CD 3.42Å; R808-P810 WeakPolarHBondContact O-CD 3.45Å; P810-L812 PolarHBondContact O-N 2.97Å; P810-D813 WeakPolarHBondContact O-CB 3.39Å; P810-D813 PolarHBondContact O-N 3.35Å; P810-Q814 PolarHBondContact O-N 2.81Å
811D95.3Very high94.5Very high25 Ų2548.8 Ų48.813%0.13426%0.258CS..Hα-helixtrans-65.6-30.4178.2-59.8-60.9000111.5H766 S769 E809 Q814 A815H766-D811 HydrophobicContact CB-CB 4.26Å; H766-D811 IonicContact CD2-OD1 3.96Å; S769-D811 VanDerWaalsContact CB-O 3.22Å; S769-D811 WeakPolarHBondContact CB-O 3.29Å; S769-D811 PolarHBondContact OG-O 3.45Å; E809-D811 PolarHBondContact O-N 3Å; D811-Q814 WeakPolarHBondContact O-CB 3.49Å; D811-Q814 PolarHBondContact O-N 3.14Å; D811-A815 PolarHBondContact O-N 2.99Å
812L97.3Very high94.3Very high0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-76.5-31.5174.4-69.6173.1000112.2I768 I794 V797 Q798 L801 E809 P810 Q814 A815 R816I768-L812 HydrophobicContact CB-CD2 4.11Å; I768-L812 HydrophobicContact CG2-CD2 3.72Å; I794-L812 HydrophobicContact CG2-CB 4.16Å; I794-L812 HydrophobicContact CG2-CD2 4.28Å; I794-L812 VanDerWaalsContact CG2-O 3.25Å; I794-L812 WeakPolarHBondContact CG2-O 3.32Å; V797-L812 HydrophobicContact CG1-CD1 4.43Å; Q798-L812 VanDerWaalsContact CA-CD1 3.45Å; Q798-L812 HydrophobicContact CB-CB 4Å; Q798-L812 HydrophobicContact CB-CD1 3.76Å; Q798-L812 HydrophobicContact CG-CB 3.99Å; Q798-L812 HydrophobicContact CG-CD1 4.21Å; L801-L812 HydrophobicContact CD1-CD1 4.08Å; E809-L812 HydrophobicContact CB-CD1 4.07Å; E809-L812 HydrophobicContact CB-CG 4.5Å; E809-L812 PolarHBondContact O-N 2.96Å; P810-L812 PolarHBondContact O-N 2.97Å; L812-Q814 PolarHBondContact O-N 3.19Å; L812-A815 PolarHBondContact O-N 3.03Å; L812-R816 PolarHBondContact O-N 2.87Å
813D95.7Very high94.2Very high36 Ų3652.8 Ų52.819%0.19327%0.27CS..Hα-helixtrans-60-39.1166-69-49.4000110.8Q798 P810 R816 R817Q798-D813 PolarHBondContact NE2-OD1 3.02Å; Q798-D813 PolarHBondContact NE2-OD2 2.92Å; Q798-D813 PolarHBondContact OE1-OD1 3.08Å; P810-D813 WeakPolarHBondContact O-CB 3.39Å; P810-D813 PolarHBondContact O-N 3.35Å; D813-R816 PolarHBondContact O-N 3.46Å; D813-R816 IonicContact OD1-CZ 3.31Å; D813-R816 VanDerWaalsContact OD1-CZ 3.23Å; D813-R816 IonicContact OD1-NH1 3.05Å; D813-R816 PolarHBondContact OD1-NH1 3.1Å; D813-R816 IonicContact OD1-NH2 3.8Å; D813-R816 PolarHBondContact OD1-NH2 3.37Å; D813-R817 WeakPolarHBondContact O-CG 3.49Å; D813-R817 PolarHBondContact O-N 3.02Å
814Q94.9Very high94.1Very high41 Ų4152 Ų5219%0.19226%0.261CS..Hα-helixtrans-65.4-43.2177.8-162.256.424.900112.2P810 D811 L812 R816 R817 F818 E839 F840P810-Q814 PolarHBondContact O-N 2.81Å; D811-Q814 WeakPolarHBondContact O-CB 3.49Å; D811-Q814 PolarHBondContact O-N 3.14Å; L812-Q814 PolarHBondContact O-N 3.19Å; Q814-R816 VanDerWaalsContact C-N 3.32Å; Q814-R816 PolarHBondContact O-N 3.32Å; Q814-R817 PolarHBondContact O-N 3.04Å; Q814-F818 PolarHBondContact O-N 3.25Å; Q814-E839 PolarHBondContact NE2-OE2 3.4Å; Q814-F840 HydrophobicContact CG-CD1 4.48Å; Q814-F840 HydrophobicContact CG-CE1 3.64Å; Q814-F840 HydrophobicContact CG-CZ 4.01Å; Q814-F840 VanDerWaalsContact NE2-CE1 3.3Å; Q814-F840 WeakPolarHBondContact O-CE1 3.45Å; Q814-F840 WeakPolarHBondContact O-CZ 3.31Å
815A96.8Very high93.9Very high0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-62.1-38.2172.900000112.5S769 F772 I773 I794 D811 L812 F818 Y819S769-A815 WeakPolarHBondContact OG-CB 3.27Å; F772-A815 HydrophobicContact CB-CB 4.47Å; I773-A815 HydrophobicContact CD1-CB 4.33Å; I773-A815 HydrophobicContact CG1-CB 4.16Å; I794-A815 HydrophobicContact CD1-CB 4.04Å; I794-A815 HydrophobicContact CG2-CB 4.41Å; D811-A815 PolarHBondContact O-N 2.99Å; L812-A815 PolarHBondContact O-N 3.03Å; A815-F818 WeakPolarHBondContact O-CB 3.32Å; A815-F818 PolarHBondContact O-N 2.94Å; A815-Y819 WeakPolarHBondContact O-CD2 3.27Å; A815-Y819 PolarHBondContact O-N 3.34Å
816R96.7Very high94Very high48 Ų4850.3 Ų50.318%0.18125%0.254CS..Hα-helixtrans-64.6-47.9175.7-170.6-177.361.8-106-3.5111.2C791 I794 L812 D813 Q814 F818 Y819 E820C791-R816 HydrophobicContact CB-CG 4.04Å; I794-R816 HydrophobicContact CG2-CB 4.11Å; L812-R816 PolarHBondContact O-N 2.87Å; D813-R816 PolarHBondContact O-N 3.46Å; D813-R816 IonicContact OD1-CZ 3.31Å; D813-R816 VanDerWaalsContact OD1-CZ 3.23Å; D813-R816 IonicContact OD1-NH1 3.05Å; D813-R816 PolarHBondContact OD1-NH1 3.1Å; D813-R816 IonicContact OD1-NH2 3.8Å; D813-R816 PolarHBondContact OD1-NH2 3.37Å; Q814-R816 VanDerWaalsContact C-N 3.32Å; Q814-R816 PolarHBondContact O-N 3.32Å; R816-F818 PolarHBondContact O-N 3.31Å; R816-Y819 PolarHBondContact O-N 2.83Å; R816-Y819 VanDerWaalsContact O-N 3.14Å; R816-E820 HydrophobicContact CG-CG 4.47Å; R816-E820 IonicContact NE-OE1 3.79Å; R816-E820 PolarHBondContact NE-OE1 3.15Å; R816-E820 WeakPolarHBondContact O-CG 3.35Å; R816-E820 PolarHBondContact O-N 3.1Å
817R95.6Very high94.1Very high100 Ų10049 Ų4938%0.37723%0.229SC..Hα-helixtrans-57.2-37.5175.6-71.6-178.5-159.3107.26.9112.2D813 Q814 Y819 E820 L821D813-R817 WeakPolarHBondContact O-CG 3.49Å; D813-R817 PolarHBondContact O-N 3.02Å; Q814-R817 PolarHBondContact O-N 3.04Å; R817-Y819 PolarHBondContact O-N 3.43Å; R817-E820 PolarHBondContact O-N 2.72Å; R817-L821 PolarHBondContact O-N 3.25Å; R817-L821 VanDerWaalsContact O-N 3.16Å
818F97Very high94.3Very high0 Ų049.6 Ų49.60%023%0.228CC..Hα-helixtrans-56.6-49.2175.4-177-105.4000112.1I773 C776 Q814 A815 R816 L821 F840 D844 L848I773-F818 HydrophobicContact CB-CD1 4.46Å; I773-F818 HydrophobicContact CG1-CB 4.27Å; I773-F818 HydrophobicContact CG1-CD1 4.11Å; I773-F818 HydrophobicContact CG1-CG 4.13Å; I773-F818 HydrophobicContact CG2-CD1 4.32Å; I773-F818 HydrophobicContact CG2-CD2 4.44Å; I773-F818 HydrophobicContact CG2-CE1 4.11Å; I773-F818 HydrophobicContact CG2-CE2 4.24Å; I773-F818 HydrophobicContact CG2-CG 4.47Å; I773-F818 HydrophobicContact CG2-CZ 4.06Å; C776-F818 HydrophobicContact CB-CE1 3.79Å; C776-F818 HydrophobicContact CB-CZ 4.31Å; Q814-F818 PolarHBondContact O-N 3.25Å; A815-F818 WeakPolarHBondContact O-CB 3.32Å; A815-F818 PolarHBondContact O-N 2.94Å; R816-F818 PolarHBondContact O-N 3.31Å; F818-L821 WeakPolarHBondContact O-CB 3.2Å; F818-L821 PolarHBondContact O-N 3.37Å; F818-F840 HydrophobicContact CB-CD1 4.31Å; F818-F840 HydrophobicContact CB-CE1 3.53Å; F818-F840 HydrophobicContact CB-CE2 4.25Å; F818-F840 HydrophobicContact CB-CZ 3.5Å; F818-F840 VanDerWaalsContact CB-CZ 3.5Å; F818-F840 HydrophobicContact CD2-CB 4.46Å; F818-F840 AromaticContact CD2-CD1 3.67Å; F818-F840 HydrophobicContact CD2-CD1 3.67Å; F818-F840 AromaticContact CD2-CD2 3.96Å; F818-F840 HydrophobicContact CD2-CD2 3.96Å; F818-F840 AromaticContact CD2-CE1 3.76Å; F818-F840 HydrophobicContact CD2-CE1 3.76Å; F818-F840 HydrophobicContact CD2-CE2 4.07Å; F818-F840 AromaticContact CD2-CG 3.77Å; F818-F840 HydrophobicContact CD2-CG 3.77Å; F818-F840 AromaticContact CD2-CZ 3.96Å; F818-F840 HydrophobicContact CD2-CZ 3.96Å; F818-F840 HydrophobicContact CE2-CD1 4.46Å; F818-F840 HydrophobicContact CE2-CG 4.35Å; F818-F840 HydrophobicContact CG-CD1 4.34Å; F818-F840 HydrophobicContact CG-CE1 4.03Å; F818-F840 HydrophobicContact CG-CZ 4.22Å; F818-D844 HydrophobicContact CE2-CB 3.76Å; F818-D844 HydrophobicContact CZ-CB 4.02Å; F818-D844 WeakPolarHBondContact CZ-O 3.45Å; F818-L848 HydrophobicContact CD1-CD1 4.15Å; F818-L848 HydrophobicContact CD2-CD1 4.44Å; F818-L848 HydrophobicContact CE1-CD1 3.74Å; F818-L848 HydrophobicContact CE2-CB 4.1Å; F818-L848 HydrophobicContact CE2-CD1 4.05Å; F818-L848 HydrophobicContact CE2-CD2 4.31Å; F818-L848 HydrophobicContact CE2-CG 4.4Å; F818-L848 HydrophobicContact CG-CD1 4.49Å; F818-L848 HydrophobicContact CZ-CB 3.85Å; F818-L848 HydrophobicContact CZ-CD1 3.7Å; F818-L848 HydrophobicContact CZ-CG 4.28Å; F818-L848 WeakPolarHBondContact O-CD1 3.39Å
819Y95.5Very high94.5Very high2 Ų238.8 Ų38.81%0.00819%0.187CC..Hα-helixtrans-74-27.6178.2-80-79.7000113F772 C776 I779 I790 I794 A815 R816 R817 L821 L822F772-Y819 HydrophobicContact CB-CE2 4.26Å; F772-Y819 WeakPolarHBondContact O-CE2 3.47Å; F772-Y819 PolarHBondContact O-OH 3.12Å; C776-Y819 PolarHBondContact N-OH 2.87Å; I779-Y819 HydrophobicContact CD1-CE1 3.98Å; I790-Y819 HydrophobicContact CD1-CD1 3.85Å; I790-Y819 HydrophobicContact CD1-CE1 3.56Å; I790-Y819 HydrophobicContact CG2-CD1 4.02Å; I790-Y819 HydrophobicContact CG2-CD2 3.62Å; I790-Y819 HydrophobicContact CG2-CE1 4.12Å; I790-Y819 HydrophobicContact CG2-CE2 3.73Å; I790-Y819 HydrophobicContact CG2-CG 3.78Å; I794-Y819 HydrophobicContact CD1-CD2 3.98Å; I794-Y819 HydrophobicContact CD1-CE2 4.45Å; A815-Y819 WeakPolarHBondContact O-CD2 3.27Å; A815-Y819 PolarHBondContact O-N 3.34Å; R816-Y819 PolarHBondContact O-N 2.83Å; R816-Y819 VanDerWaalsContact O-N 3.14Å; R817-Y819 PolarHBondContact O-N 3.43Å; Y819-L821 PolarHBondContact O-N 3.43Å; Y819-L822 HydrophobicContact CD1-CD1 3.8Å; Y819-L822 HydrophobicContact CE1-CD1 4.42Å; Y819-L822 WeakPolarHBondContact O-CB 3.32Å; Y819-L822 PolarHBondContact O-N 3.12Å; Y819-L822 VanDerWaalsContact O-N 3.12Å
820E95.7Very high94.3Very high79 Ų7938 Ų3837%0.36918%0.183SC..Hα-helixtrans-64.7-26.7173.1-73.4170.1177.200112.6R816 R817 L822 Y823R816-E820 HydrophobicContact CG-CG 4.47Å; R816-E820 IonicContact NE-OE1 3.79Å; R816-E820 PolarHBondContact NE-OE1 3.15Å; R816-E820 WeakPolarHBondContact O-CG 3.35Å; R816-E820 PolarHBondContact O-N 3.1Å; R817-E820 PolarHBondContact O-N 2.72Å; E820-L822 PolarHBondContact O-N 3.36Å; E820-L822 VanDerWaalsContact O-N 3.16Å; E820-Y823 HydrophobicContact CB-CD2 4.41Å; E820-Y823 WeakPolarHBondContact O-CB 3.05Å; E820-Y823 VanDerWaalsContact O-CD2 3.31Å; E820-Y823 WeakPolarHBondContact O-CD2 3.29Å; E820-Y823 PolarHBondContact O-N 3.16Å
821L94.8Very high94.2Very high24 Ų2437.7 Ų37.713%0.12618%0.178CC..G310 helixtrans-59.9-24.5172.4-68.9174.7000112.7R817 F818 Y819 Y823 K824 I829 F840 Y845 L848R817-L821 PolarHBondContact O-N 3.25Å; R817-L821 VanDerWaalsContact O-N 3.16Å; F818-L821 WeakPolarHBondContact O-CB 3.2Å; F818-L821 PolarHBondContact O-N 3.37Å; Y819-L821 PolarHBondContact O-N 3.43Å; L821-Y823 PolarHBondContact O-N 2.84Å; L821-K824 HydrophobicContact CD2-CD 4.25Å; L821-K824 WeakPolarHBondContact O-CB 3.5Å; L821-K824 PolarHBondContact O-N 3.27Å; L821-I829 HydrophobicContact CB-CG1 4.44Å; L821-I829 WeakPolarHBondContact O-CD1 3.36Å; L821-I829 WeakPolarHBondContact O-CG1 3.48Å; L821-F840 HydrophobicContact CD1-CD2 4.41Å; L821-F840 HydrophobicContact CD1-CE2 4.07Å; L821-Y845 HydrophobicContact CD1-CE1 4Å; L821-L848 HydrophobicContact CB-CD2 3.75Å; L821-L848 HydrophobicContact CD1-CD2 3.82Å; L821-L848 HydrophobicContact CG-CD2 4.45Å
822L93.8Very high93.8Very high7 Ų737.6 Ų37.64%0.03718%0.18CC..G310 helixtrans-69.5-8.4175.9-63.5167.9000113.4I782 K787 Y819 E820 K824 L848 L851I782-L822 HydrophobicContact CD1-CD1 4.01Å; I782-L822 HydrophobicContact CG2-CD1 4.22Å; K787-L822 HydrophobicContact CD-CB 3.9Å; K787-L822 VanDerWaalsContact CE-O 3.26Å; K787-L822 WeakPolarHBondContact CE-O 3.38Å; K787-L822 HydrophobicContact CG-CB 4.22Å; K787-L822 PolarHBondContact NZ-O 2.84Å; Y819-L822 HydrophobicContact CD1-CD1 3.8Å; Y819-L822 HydrophobicContact CE1-CD1 4.42Å; Y819-L822 WeakPolarHBondContact O-CB 3.32Å; Y819-L822 PolarHBondContact O-N 3.12Å; Y819-L822 VanDerWaalsContact O-N 3.12Å; E820-L822 PolarHBondContact O-N 3.36Å; E820-L822 VanDerWaalsContact O-N 3.16Å; L822-K824 VanDerWaalsContact C-N 3.28Å; L822-L848 HydrophobicContact CD1-CD1 4.14Å; L822-L848 HydrophobicContact CD2-CD1 3.6Å; L822-L848 HydrophobicContact CD2-CG 3.93Å; L822-L848 HydrophobicContact CG-CD1 3.65Å; L822-L848 HydrophobicContact CG-CG 4.42Å; L822-L851 HydrophobicContact CD1-CD2 3.9Å; L822-L851 HydrophobicContact CD2-CD2 4.38Å; L822-L851 HydrophobicContact CD2-CG 4.41Å
823Y93.3Very high93.4Very high107 Ų10737.8 Ų37.842%0.4218%0.182SC..G310 helixtrans-77.7-14.9168.2-68.2-69.9000113K787 K788 E820 L821K787-Y823 HydrophobicContact CB-CE1 4.17Å; K787-Y823 HydrophobicContact CB-CE2 4.17Å; K787-Y823 WeakPolarHBondContact CB-OH 3.38Å; K787-Y823 HydrophobicContact CD-CD1 3.86Å; K787-Y823 HydrophobicContact CD-CE1 3.69Å; K787-Y823 HydrophobicContact CD-CE2 4.37Å; K787-Y823 HydrophobicContact CD-CG 4.28Å; K788-Y823 VanDerWaalsContact CG-OH 3.24Å; K788-Y823 WeakPolarHBondContact CG-OH 3.41Å; E820-Y823 HydrophobicContact CB-CD2 4.41Å; E820-Y823 WeakPolarHBondContact O-CB 3.05Å; E820-Y823 VanDerWaalsContact O-CD2 3.31Å; E820-Y823 WeakPolarHBondContact O-CD2 3.29Å; E820-Y823 PolarHBondContact O-N 3.16Å; L821-Y823 PolarHBondContact O-N 2.84Å
824K93.7Very high92.9Very high95 Ų9540.5 Ų40.541%0.41320%0.199SC..SBendtrans-90.3154.6176.1-60.3-176.9-179.3-178.20110.5L821 L822 D828 I829 A832L821-K824 HydrophobicContact CD2-CD 4.25Å; L821-K824 WeakPolarHBondContact O-CB 3.5Å; L821-K824 PolarHBondContact O-N 3.27Å; L822-K824 VanDerWaalsContact C-N 3.28Å; K824-D828 HydrophobicContact CB-CB 3.87Å; K824-I829 HydrophobicContact CB-CG1 3.89Å; K824-A832 HydrophobicContact CD-CB 4.46Å
825S91.5Very high92.5Very high42 Ų4246.6 Ų46.629%0.29423%0.228SC..  trans-66.9156.9169.976.60000110.5D827 D828 I829S825-D827 PolarHBondContact O-N 3.33Å; S825-D827 VanDerWaalsContact O-N 3.14Å; S825-D828 WeakPolarHBondContact CB-OD2 3.34Å; S825-D828 PolarHBondContact N-OD2 3.28Å; S825-D828 PolarHBondContact O-N 2.85Å; S825-D828 PolarHBondContact OG-N 3.36Å; S825-D828 PolarHBondContact OG-OD2 2.92Å; S825-I829 WeakPolarHBondContact O-CG1 3.28Å; S825-I829 PolarHBondContact O-N 3.41Å
826P91.7Very high91.7Very high1 Ų149.6 Ų49.61%0.00626%0.258CS..Hα-helixtrans-52.9-35.7177.3-2835.2000114L830 L849 S852 I853 L859 R869P826-L830 WeakPolarHBondContact O-CG 3.4Å; P826-L830 PolarHBondContact O-N 3.39Å; P826-L849 HydrophobicContact CB-CD2 4.21Å; P826-S852 WeakPolarHBondContact CG-OG 3.32Å; P826-I853 HydrophobicContact CB-CG1 4.19Å; P826-I853 HydrophobicContact CG-CG1 3.89Å; P826-L859 HydrophobicContact CB-CD1 4.45Å; P826-L859 HydrophobicContact CG-CD1 3.69Å; P826-R869 HydrophobicContact CB-CG 4.48Å
827D91.8Very high91.1Very high47 Ų4748.5 Ų48.525%0.25126%0.262SS..Hα-helixtrans-74.7-34.7178.3-68.9-57.8000111.8S825 L830 N831 R869 R872S825-D827 PolarHBondContact O-N 3.33Å; S825-D827 VanDerWaalsContact O-N 3.14Å; D827-L830 PolarHBondContact O-N 3.23Å; D827-N831 PolarHBondContact O-N 3.48Å; D827-N831 PolarHBondContact O-ND2 3.22Å; D827-N831 PolarHBondContact O-OD1 3.05Å; D827-R869 IonicContact OD1-NE 3.64Å; D827-R869 PolarHBondContact OD1-NE 2.99Å; D827-R869 IonicContact OD1-NH2 2.98Å; D827-R869 IonicContact OD2-CZ 3.83Å; D827-R869 IonicContact OD2-NE 2.6Å; D827-R869 IonicContact OD2-NH2 3.61Å; D827-R869 PolarHBondContact OD2-NH2 2.87Å; D827-R872 IonicContact OD1-NH1 3.77Å; D827-R872 PolarHBondContact OD1-NH1 2.86Å
828D93.6Very high90.6Very high77 Ų7746.1 Ų46.141%0.41226%0.264SS..Hα-helixtrans-70.6-30.5173.3-63.6-37000112.8K824 S825 N831 A832K824-D828 HydrophobicContact CB-CB 3.87Å; S825-D828 WeakPolarHBondContact CB-OD2 3.34Å; S825-D828 PolarHBondContact N-OD2 3.28Å; S825-D828 PolarHBondContact O-N 2.85Å; S825-D828 PolarHBondContact OG-N 3.36Å; S825-D828 PolarHBondContact OG-OD2 2.92Å; D828-N831 PolarHBondContact O-N 3.18Å; D828-A832 VanDerWaalsContact O-CB 3.3Å; D828-A832 WeakPolarHBondContact O-CB 3.49Å; D828-A832 PolarHBondContact O-N 3.23Å
829I92.6Very high90.1Very high0 Ų051.8 Ų51.80%029%0.291CS..Hα-helixtrans-62.3-47.1170.9-65.1171.2000109.2L821 K824 S825 A832 I833 L848 L849L821-I829 HydrophobicContact CB-CG1 4.44Å; L821-I829 WeakPolarHBondContact O-CD1 3.36Å; L821-I829 WeakPolarHBondContact O-CG1 3.48Å; K824-I829 HydrophobicContact CB-CG1 3.89Å; S825-I829 WeakPolarHBondContact O-CG1 3.28Å; S825-I829 PolarHBondContact O-N 3.41Å; I829-A832 PolarHBondContact O-N 2.72Å; I829-I833 HydrophobicContact CG2-CD1 4.31Å; I829-I833 WeakPolarHBondContact O-CG1 3.29Å; I829-I833 PolarHBondContact O-N 2.94Å; I829-I833 VanDerWaalsContact O-N 3.1Å; I829-L848 HydrophobicContact CD1-CD2 4.25Å; I829-L848 HydrophobicContact CG2-CD2 4.21Å; I829-L849 HydrophobicContact CB-CD2 4.3Å; I829-L849 HydrophobicContact CD1-CD2 4.46Å; I829-L849 HydrophobicContact CG2-CD2 4.2Å
830L90.9Very high89.9Confident0 Ų052.8 Ų52.80%030%0.295CS..Hα-helixtrans-63.3-41.9177.2-67.8174.1000111.8P826 D827 A832 I833 V834 L849 R869 R872 L873 M876P826-L830 WeakPolarHBondContact O-CG 3.4Å; P826-L830 PolarHBondContact O-N 3.39Å; D827-L830 PolarHBondContact O-N 3.23Å; L830-A832 VanDerWaalsContact C-N 3.33Å; L830-A832 PolarHBondContact O-N 2.94Å; L830-I833 PolarHBondContact O-N 3.45Å; L830-V834 WeakPolarHBondContact O-CG2 3.42Å; L830-V834 PolarHBondContact O-N 3.42Å; L830-V834 VanDerWaalsContact O-N 3.15Å; L830-L849 HydrophobicContact CD2-CD1 3.92Å; L830-L849 HydrophobicContact CG-CD2 4.44Å; L830-R869 HydrophobicContact CD1-CB 4.13Å; L830-R869 HydrophobicContact CD1-CG 3.85Å; L830-R872 HydrophobicContact CD1-CB 4.11Å; L830-R872 HydrophobicContact CD1-CG 3.95Å; L830-L873 HydrophobicContact CD2-CB 3.94Å; L830-L873 HydrophobicContact CD2-CD1 3.98Å; L830-M876 HydrophobicContact CB-CE 4.23Å; L830-M876 HydrophobicContact CB-SD 4.08Å; L830-M876 HydrophobicContact CD2-SD 4.11Å
831N90.1Very high89.5Confident60 Ų6051.4 Ų51.432%0.32130%0.297SS..Hα-helixtrans-63.5-39.7176-63.1-19.8000111.3D827 D828 I833 V834 E835 R872D827-N831 PolarHBondContact O-N 3.48Å; D827-N831 PolarHBondContact O-ND2 3.22Å; D827-N831 PolarHBondContact O-OD1 3.05Å; D828-N831 PolarHBondContact O-N 3.18Å; N831-I833 VanDerWaalsContact C-N 3.31Å; N831-I833 PolarHBondContact O-N 3.36Å; N831-V834 WeakPolarHBondContact O-CB 3.39Å; N831-V834 PolarHBondContact O-N 3.29Å; N831-V834 VanDerWaalsContact O-N 3.11Å; N831-E835 WeakPolarHBondContact O-CG 3.19Å; N831-E835 PolarHBondContact O-N 2.83Å; N831-R872 PolarHBondContact OD1-NH2 3.1Å
832A87.7Confident89.3Confident23 Ų2354 Ų5419%0.1931%0.314CS..Hα-helixtrans-63.1-35.7176.300000112.9K824 D828 I829 L830 V834 G836K824-A832 HydrophobicContact CD-CB 4.46Å; D828-A832 VanDerWaalsContact O-CB 3.3Å; D828-A832 WeakPolarHBondContact O-CB 3.49Å; D828-A832 PolarHBondContact O-N 3.23Å; I829-A832 PolarHBondContact O-N 2.72Å; L830-A832 VanDerWaalsContact C-N 3.33Å; L830-A832 PolarHBondContact O-N 2.94Å; A832-V834 VanDerWaalsContact C-N 3.34Å; A832-G836 PolarHBondContact O-N 3.27Å
833I88Confident89.2Confident5 Ų558 Ų583%0.02634%0.338CS..Hα-helixtrans-66.6-37.5174.1-63.7165.5000110.7I829 L830 N831 G837 A838 Y845 L873 L877I829-I833 HydrophobicContact CG2-CD1 4.31Å; I829-I833 WeakPolarHBondContact O-CG1 3.29Å; I829-I833 PolarHBondContact O-N 2.94Å; I829-I833 VanDerWaalsContact O-N 3.1Å; L830-I833 PolarHBondContact O-N 3.45Å; N831-I833 VanDerWaalsContact C-N 3.31Å; N831-I833 PolarHBondContact O-N 3.36Å; I833-G837 CarbonylContact O-C 3.4Å; I833-G837 WeakPolarHBondContact O-CA 3.03Å; I833-G837 PolarHBondContact O-N 2.96Å; I833-A838 HydrophobicContact CG2-CB 4.34Å; I833-Y845 HydrophobicContact CD1-CD1 3.57Å; I833-Y845 HydrophobicContact CD1-CD2 4.21Å; I833-Y845 HydrophobicContact CD1-CE1 3.55Å; I833-Y845 HydrophobicContact CD1-CE2 4.19Å; I833-Y845 HydrophobicContact CD1-CG 3.9Å; I833-Y845 HydrophobicContact CG1-CD1 4.29Å; I833-Y845 HydrophobicContact CG1-CE1 3.74Å; I833-Y845 HydrophobicContact CG1-CE2 4.37Å; I833-L873 HydrophobicContact CD1-CD1 3.77Å; I833-L877 HydrophobicContact CG2-CD2 4.04Å
834V86Confident89.2Confident92 Ų9254.4 Ų54.456%0.55833%0.327SS*.Hα-helixtrans-68.9-40.6177.4173.90000111.9L830 N831 A832 M876L830-V834 WeakPolarHBondContact O-CG2 3.42Å; L830-V834 PolarHBondContact O-N 3.42Å; L830-V834 VanDerWaalsContact O-N 3.15Å; N831-V834 WeakPolarHBondContact O-CB 3.39Å; N831-V834 PolarHBondContact O-N 3.29Å; N831-V834 VanDerWaalsContact O-N 3.11Å; A832-V834 VanDerWaalsContact C-N 3.34Å; V834-M876 HydrophobicContact CG2-CE 3.56Å; V834-M876 HydrophobicContact CG2-CG 4.06Å; V834-M876 HydrophobicContact CG2-SD 3.7Å
835E85.2Confident89.3Confident169 Ų16950.2 Ų50.279%0.7931%0.308SS*.Hα-helixtrans-78.1-41.4-177.1-70.5174.3-17600112.9N831N831-E835 WeakPolarHBondContact O-CG 3.19Å; N831-E835 PolarHBondContact O-N 2.83Å
836G80.4Confident89.5Confident63 Ų6349.4 Ų49.465%0.64930%0.304SS*.Hα-helixtrans-103.7-10.9-173.300000115.4A832A832-G836 PolarHBondContact O-N 3.27Å
837G83.4Confident89.6Confident25 Ų2551.4 Ų51.426%0.25832%0.315SS..  trans84.5171.5-17100000113.5I833I833-G837 CarbonylContact O-C 3.4Å; I833-G837 WeakPolarHBondContact O-CA 3.03Å; I833-G837 PolarHBondContact O-N 2.96Å
838A84.9Confident89.8Confident51 Ų5149.1 Ų49.142%0.42130%0.303SS..  trans-86110.5-179.500000111.8I833 Y845 L877I833-A838 HydrophobicContact CG2-CB 4.34Å; A838-Y845 HydrophobicContact CB-CE2 4.14Å; A838-L877 HydrophobicContact CB-CD2 3.54Å
839E86.8Confident89.9Confident119 Ų11945.5 Ų45.556%0.55628%0.283SS*.  trans-89.6-20.9176.5-61-175.1174.600113.5Q814 Y845Q814-E839 PolarHBondContact NE2-OE2 3.4Å; E839-Y845 PolarHBondContact N-OH 2.68Å
840F91Very high90Very high23 Ų2346 Ų4610%0.10129%0.288CS..SBendtrans-120.6164.3-174.8-56.7-84000112.3I773 Q814 F818 L821 D844 Y845I773-F840 HydrophobicContact CD1-CD1 4.2Å; I773-F840 HydrophobicContact CD1-CE1 4.07Å; Q814-F840 HydrophobicContact CG-CD1 4.48Å; Q814-F840 HydrophobicContact CG-CE1 3.64Å; Q814-F840 HydrophobicContact CG-CZ 4.01Å; Q814-F840 VanDerWaalsContact NE2-CE1 3.3Å; Q814-F840 WeakPolarHBondContact O-CE1 3.45Å; Q814-F840 WeakPolarHBondContact O-CZ 3.31Å; F818-F840 HydrophobicContact CB-CD1 4.31Å; F818-F840 HydrophobicContact CB-CE1 3.53Å; F818-F840 HydrophobicContact CB-CE2 4.25Å; F818-F840 HydrophobicContact CB-CZ 3.5Å; F818-F840 VanDerWaalsContact CB-CZ 3.5Å; F818-F840 HydrophobicContact CD2-CB 4.46Å; F818-F840 AromaticContact CD2-CD1 3.67Å; F818-F840 HydrophobicContact CD2-CD1 3.67Å; F818-F840 AromaticContact CD2-CD2 3.96Å; F818-F840 HydrophobicContact CD2-CD2 3.96Å; F818-F840 AromaticContact CD2-CE1 3.76Å; F818-F840 HydrophobicContact CD2-CE1 3.76Å; F818-F840 HydrophobicContact CD2-CE2 4.07Å; F818-F840 AromaticContact CD2-CG 3.77Å; F818-F840 HydrophobicContact CD2-CG 3.77Å; F818-F840 AromaticContact CD2-CZ 3.96Å; F818-F840 HydrophobicContact CD2-CZ 3.96Å; F818-F840 HydrophobicContact CE2-CD1 4.46Å; F818-F840 HydrophobicContact CE2-CG 4.35Å; F818-F840 HydrophobicContact CG-CD1 4.34Å; F818-F840 HydrophobicContact CG-CE1 4.03Å; F818-F840 HydrophobicContact CG-CZ 4.22Å; L821-F840 HydrophobicContact CD1-CD2 4.41Å; L821-F840 HydrophobicContact CD1-CE2 4.07Å; F840-D844 HydrophobicContact CB-CB 4.35Å; F840-Y845 HydrophobicContact CB-CD2 4.13Å; F840-Y845 HydrophobicContact CB-CE1 4.35Å; F840-Y845 HydrophobicContact CB-CE2 3.76Å; F840-Y845 AromaticContact CD2-CE1 3.83Å; F840-Y845 HydrophobicContact CD2-CE1 3.83Å; F840-Y845 HydrophobicContact CD2-CE2 4.4Å; F840-Y845 AromaticContact CD2-CZ 3.66Å; F840-Y845 WeakPolarHBondContact CD2-OH 3.35Å; F840-Y845 VanDerWaalsContact O-CE2 3.25Å; F840-Y845 WeakPolarHBondContact O-CE2 3.22Å
841A89.1Confident90.1Very high50 Ų5046 Ų4641%0.41329%0.288SS..  trans-64.9150.4176.200000111.3T843 D844 Y845A841-T843 PolarHBondContact O-N 2.72Å; A841-D844 WeakPolarHBondContact CB-OD2 3.21Å; A841-D844 WeakPolarHBondContact O-CB 3.47Å; A841-D844 PolarHBondContact O-N 2.89Å; A841-Y845 PolarHBondContact O-N 3.32Å
842V89.9Confident90.3Very high79 Ų7943.7 Ų43.748%0.47928%0.276SS..Hα-helixtrans-56.2-37.6179.9-171.70000111.8D844 A846 L873 L877V842-D844 VanDerWaalsContact C-N 3.33Å; V842-A846 WeakPolarHBondContact O-CB 3.31Å; V842-A846 PolarHBondContact O-N 3.48Å; V842-L873 HydrophobicContact CG1-CD2 4.37Å; V842-L877 HydrophobicContact CB-CD1 4.17Å; V842-L877 HydrophobicContact CG1-CD1 3.84Å; V842-L877 HydrophobicContact CG2-CD1 3.75Å
843T91.8Very high90.6Very high89 Ų8943 Ų4355%0.54627%0.269SS..Hα-helixtrans-63.9-38.8176.9470000111.9A841 A846 N847A841-T843 PolarHBondContact O-N 2.72Å; T843-A846 PolarHBondContact O-N 3.11Å; T843-N847 WeakPolarHBondContact O-CB 3.41Å; T843-N847 PolarHBondContact O-N 3.28Å; T843-N847 PolarHBondContact O-ND2 2.75Å
844D94.1Very high90.7Very high33 Ų3347 Ų4718%0.17628%0.284CS..Hα-helixtrans-71.9-43-178.8-56.5-25.2000110.2I773 F818 F840 A841 V842 A846 N847 L848I773-D844 HydrophobicContact CG2-CB 3.87Å; F818-D844 HydrophobicContact CE2-CB 3.76Å; F818-D844 HydrophobicContact CZ-CB 4.02Å; F818-D844 WeakPolarHBondContact CZ-O 3.45Å; F840-D844 HydrophobicContact CB-CB 4.35Å; A841-D844 WeakPolarHBondContact CB-OD2 3.21Å; A841-D844 WeakPolarHBondContact O-CB 3.47Å; A841-D844 PolarHBondContact O-N 2.89Å; V842-D844 VanDerWaalsContact C-N 3.33Å; D844-A846 VanDerWaalsContact C-N 3.32Å; D844-A846 PolarHBondContact O-N 3.1Å; D844-N847 PolarHBondContact O-N 3.01Å; D844-L848 VanDerWaalsContact O-CB 3.31Å; D844-L848 WeakPolarHBondContact O-CB 3.18Å; D844-L848 PolarHBondContact O-N 3.44Å
845Y94.6Very high90.9Very high6 Ų644.3 Ų44.32%0.02427%0.269CS..Hα-helixtrans-61-40.2171.1-76.9-58000112.6L821 I833 A838 E839 F840 A841 N847 L848 L849 L873L821-Y845 HydrophobicContact CD1-CE1 4Å; I833-Y845 HydrophobicContact CD1-CD1 3.57Å; I833-Y845 HydrophobicContact CD1-CD2 4.21Å; I833-Y845 HydrophobicContact CD1-CE1 3.55Å; I833-Y845 HydrophobicContact CD1-CE2 4.19Å; I833-Y845 HydrophobicContact CD1-CG 3.9Å; I833-Y845 HydrophobicContact CG1-CD1 4.29Å; I833-Y845 HydrophobicContact CG1-CE1 3.74Å; I833-Y845 HydrophobicContact CG1-CE2 4.37Å; A838-Y845 HydrophobicContact CB-CE2 4.14Å; E839-Y845 PolarHBondContact N-OH 2.68Å; F840-Y845 HydrophobicContact CB-CD2 4.13Å; F840-Y845 HydrophobicContact CB-CE1 4.35Å; F840-Y845 HydrophobicContact CB-CE2 3.76Å; F840-Y845 AromaticContact CD2-CE1 3.83Å; F840-Y845 HydrophobicContact CD2-CE1 3.83Å; F840-Y845 HydrophobicContact CD2-CE2 4.4Å; F840-Y845 AromaticContact CD2-CZ 3.66Å; F840-Y845 WeakPolarHBondContact CD2-OH 3.35Å; F840-Y845 VanDerWaalsContact O-CE2 3.25Å; F840-Y845 WeakPolarHBondContact O-CE2 3.22Å; A841-Y845 PolarHBondContact O-N 3.32Å; Y845-N847 VanDerWaalsContact C-N 3.35Å; Y845-L848 HydrophobicContact CD1-CD2 4.45Å; Y845-L848 PolarHBondContact O-N 3.09Å; Y845-L849 WeakPolarHBondContact O-CB 3.4Å; Y845-L849 VanDerWaalsContact O-CG 3.32Å; Y845-L849 WeakPolarHBondContact O-CG 3.45Å; Y845-L849 PolarHBondContact O-N 3.05Å; Y845-L873 HydrophobicContact CG-CD1 4.49Å
846A95.2Very high91.2Very high26 Ų2639 Ų3922%0.21524%0.244CC..Hα-helixtrans-62.4-43.3175.900000111.5V842 T843 D844 L849 A850 L870 L873V842-A846 WeakPolarHBondContact O-CB 3.31Å; V842-A846 PolarHBondContact O-N 3.48Å; T843-A846 PolarHBondContact O-N 3.11Å; D844-A846 VanDerWaalsContact C-N 3.32Å; D844-A846 PolarHBondContact O-N 3.1Å; A846-L849 PolarHBondContact O-N 3.17Å; A846-A850 VanDerWaalsContact O-CB 3.32Å; A846-A850 WeakPolarHBondContact O-CB 3.44Å; A846-A850 PolarHBondContact O-N 3Å; A846-L870 HydrophobicContact CB-CD2 3.61Å; A846-L873 HydrophobicContact CB-CD2 4.4Å
847N94.3Very high91.5Very high42 Ų4241.3 Ų41.323%0.22525%0.248CC..Hα-helixtrans-64-41.8175.7-72.1-29.3000112Q777 T843 D844 Y845 A850 L851Q777-N847 HydrophobicContact CB-CB 4.45Å; T843-N847 WeakPolarHBondContact O-CB 3.41Å; T843-N847 PolarHBondContact O-N 3.28Å; T843-N847 PolarHBondContact O-ND2 2.75Å; D844-N847 PolarHBondContact O-N 3.01Å; Y845-N847 VanDerWaalsContact C-N 3.35Å; N847-A850 PolarHBondContact O-N 2.95Å; N847-L851 WeakPolarHBondContact O-CB 3.36Å; N847-L851 PolarHBondContact O-N 3.19Å
848L95.4Very high91.8Very high0 Ų044.6 Ų44.60%026%0.262CS..Hα-helixtrans-63.2-46.5177-169.781.8000111.7F818 L821 L822 I829 D844 Y845 L851 S852F818-L848 HydrophobicContact CD1-CD1 4.15Å; F818-L848 HydrophobicContact CD2-CD1 4.44Å; F818-L848 HydrophobicContact CE1-CD1 3.74Å; F818-L848 HydrophobicContact CE2-CB 4.1Å; F818-L848 HydrophobicContact CE2-CD1 4.05Å; F818-L848 HydrophobicContact CE2-CD2 4.31Å; F818-L848 HydrophobicContact CE2-CG 4.4Å; F818-L848 HydrophobicContact CG-CD1 4.49Å; F818-L848 HydrophobicContact CZ-CB 3.85Å; F818-L848 HydrophobicContact CZ-CD1 3.7Å; F818-L848 HydrophobicContact CZ-CG 4.28Å; F818-L848 WeakPolarHBondContact O-CD1 3.39Å; L821-L848 HydrophobicContact CB-CD2 3.75Å; L821-L848 HydrophobicContact CD1-CD2 3.82Å; L821-L848 HydrophobicContact CG-CD2 4.45Å; L822-L848 HydrophobicContact CD1-CD1 4.14Å; L822-L848 HydrophobicContact CD2-CD1 3.6Å; L822-L848 HydrophobicContact CD2-CG 3.93Å; L822-L848 HydrophobicContact CG-CD1 3.65Å; L822-L848 HydrophobicContact CG-CG 4.42Å; I829-L848 HydrophobicContact CD1-CD2 4.25Å; I829-L848 HydrophobicContact CG2-CD2 4.21Å; D844-L848 VanDerWaalsContact O-CB 3.31Å; D844-L848 WeakPolarHBondContact O-CB 3.18Å; D844-L848 PolarHBondContact O-N 3.44Å; Y845-L848 HydrophobicContact CD1-CD2 4.45Å; Y845-L848 PolarHBondContact O-N 3.09Å; L848-L851 PolarHBondContact O-N 2.68Å; L848-S852 WeakPolarHBondContact O-CB 3.26Å; L848-S852 PolarHBondContact O-N 2.82Å
849L95.8Very high92Very high0 Ų043 Ų430%025%0.247CC..Hα-helixtrans-64.1-41.9176.3-73.4172.6000111.3P826 I829 L830 Y845 A846 L851 S852 I853 L873P826-L849 HydrophobicContact CB-CD2 4.21Å; I829-L849 HydrophobicContact CB-CD2 4.3Å; I829-L849 HydrophobicContact CD1-CD2 4.46Å; I829-L849 HydrophobicContact CG2-CD2 4.2Å; L830-L849 HydrophobicContact CD2-CD1 3.92Å; L830-L849 HydrophobicContact CG-CD2 4.44Å; Y845-L849 WeakPolarHBondContact O-CB 3.4Å; Y845-L849 VanDerWaalsContact O-CG 3.32Å; Y845-L849 WeakPolarHBondContact O-CG 3.45Å; Y845-L849 PolarHBondContact O-N 3.05Å; A846-L849 PolarHBondContact O-N 3.17Å; L849-L851 VanDerWaalsContact C-N 3.34Å; L849-L851 PolarHBondContact O-N 2.78Å; L849-S852 PolarHBondContact O-N 3.03Å; L849-I853 WeakPolarHBondContact O-CB 3.39Å; L849-I853 VanDerWaalsContact O-CG1 3.32Å; L849-I853 WeakPolarHBondContact O-CG1 3.42Å; L849-I853 PolarHBondContact O-N 3.44Å; L849-L873 HydrophobicContact CD1-CB 4.21Å; L849-L873 HydrophobicContact CD1-CD2 3.98Å; L849-L873 HydrophobicContact CD1-CG 4.48Å
850A94.7Very high92.1Very high11 Ų1139.6 Ų39.69%0.09124%0.236CC..Hα-helixtrans-59.6-45.2174.600000111.4A846 N847 R854 L866A846-A850 VanDerWaalsContact O-CB 3.32Å; A846-A850 WeakPolarHBondContact O-CB 3.44Å; A846-A850 PolarHBondContact O-N 3Å; N847-A850 PolarHBondContact O-N 2.95Å; A850-R854 WeakPolarHBondContact O-CB 3.5Å; A850-R854 WeakPolarHBondContact O-CG 3.36Å; A850-R854 PolarHBondContact O-N 3.01Å; A850-L866 HydrophobicContact CB-CD1 3.97Å; A850-L866 HydrophobicContact CB-CD2 4.19Å
851L93.7Very high92Very high0 Ų043 Ų430%026%0.263CS..Hα-helixtrans-64.4-44.3175.8176.558.2000112.3C776 I779 I782 L822 N847 L848 L849 R854 S855C776-L851 VanDerWaalsContact SG-CD2 3.6Å; I779-L851 HydrophobicContact CB-CD1 3.91Å; I779-L851 HydrophobicContact CB-CD2 4.01Å; I779-L851 HydrophobicContact CD1-CD2 4.17Å; I779-L851 HydrophobicContact CG2-CD1 3.54Å; I779-L851 HydrophobicContact CG2-CD2 4.03Å; I779-L851 HydrophobicContact CG2-CG 4.46Å; I779-L851 WeakPolarHBondContact O-CD1 3.5Å; I782-L851 HydrophobicContact CB-CD1 4.19Å; I782-L851 HydrophobicContact CB-CD2 4.41Å; I782-L851 HydrophobicContact CG2-CD1 3.94Å; I782-L851 HydrophobicContact CG2-CD2 4.02Å; I782-L851 HydrophobicContact CG2-CG 3.88Å; L822-L851 HydrophobicContact CD1-CD2 3.9Å; L822-L851 HydrophobicContact CD2-CD2 4.38Å; L822-L851 HydrophobicContact CD2-CG 4.41Å; N847-L851 WeakPolarHBondContact O-CB 3.36Å; N847-L851 PolarHBondContact O-N 3.19Å; L848-L851 PolarHBondContact O-N 2.68Å; L849-L851 VanDerWaalsContact C-N 3.34Å; L849-L851 PolarHBondContact O-N 2.78Å; L851-R854 PolarHBondContact O-N 2.69Å; L851-S855 VanDerWaalsContact O-CB 3.3Å; L851-S855 WeakPolarHBondContact O-CB 3.41Å; L851-S855 PolarHBondContact O-N 3.33Å; L851-S855 PolarHBondContact O-OG 2.71Å
852S93.5Very high92.1Very high11 Ų1144.4 Ų44.48%0.07726%0.261CS..Hα-helixtrans-60-47.6179.1-174.30000111.1P826 L848 L849 S855 H856P826-S852 WeakPolarHBondContact CG-OG 3.32Å; L848-S852 WeakPolarHBondContact O-CB 3.26Å; L848-S852 PolarHBondContact O-N 2.82Å; L849-S852 PolarHBondContact O-N 3.03Å; S852-S855 PolarHBondContact O-N 2.83Å; S852-H856 WeakPolarHBondContact O-CB 3.45Å; S852-H856 PolarHBondContact O-N 3.46Å
853I94Very high92Very high10 Ų1046.5 Ų46.55%0.05128%0.276CS..Hα-helixtrans-66.1-45.2178.3-68.5171.7000111.4P826 L849 S855 H856 L859 S860 A865 L866 R869P826-I853 HydrophobicContact CB-CG1 4.19Å; P826-I853 HydrophobicContact CG-CG1 3.89Å; L849-I853 WeakPolarHBondContact O-CB 3.39Å; L849-I853 VanDerWaalsContact O-CG1 3.32Å; L849-I853 WeakPolarHBondContact O-CG1 3.42Å; L849-I853 PolarHBondContact O-N 3.44Å; I853-S855 PolarHBondContact O-N 3.02Å; I853-H856 PolarHBondContact O-N 2.98Å; I853-H856 VanDerWaalsContact O-N 3.16Å; I853-L859 HydrophobicContact CG2-CB 4.24Å; I853-S860 WeakPolarHBondContact O-CA 3.4Å; I853-S860 VanDerWaalsContact O-CB 3.3Å; I853-S860 WeakPolarHBondContact O-CB 3.49Å; I853-S860 PolarHBondContact O-N 3.14Å; I853-A865 HydrophobicContact CG2-CB 4.47Å; I853-L866 HydrophobicContact CD1-CB 4.17Å; I853-L866 HydrophobicContact CD1-CD1 3.89Å; I853-R869 HydrophobicContact CD1-CB 4.18Å; I853-R869 HydrophobicContact CD1-CG 4.36Å
854R91Very high92Very high89 Ų8944 Ų4434%0.33627%0.268SS..Hα-helixtrans-60.1-28.4176.9-75.7-170-54.9-110.16.3113.3I779 V780 R781 A850 L851I779-R854 PolarHBondContact O-NH2 3.31Å; V780-R854 PolarHBondContact O-NE 2.83Å; R781-R854 PolarHBondContact NE-O 2.88Å; A850-R854 WeakPolarHBondContact O-CB 3.5Å; A850-R854 WeakPolarHBondContact O-CG 3.36Å; A850-R854 PolarHBondContact O-N 3.01Å; L851-R854 PolarHBondContact O-N 2.69Å
855S90.9Very high91.9Very high35 Ų3542.5 Ų42.525%0.24526%0.26CS..Hα-helixtrans-94.2-12.9-178.4-50.80000113R781 I782 L851 S852 I853R781-S855 WeakPolarHBondContact CA-OG 3.46Å; I782-S855 PolarHBondContact N-OG 3.02Å; L851-S855 VanDerWaalsContact O-CB 3.3Å; L851-S855 WeakPolarHBondContact O-CB 3.41Å; L851-S855 PolarHBondContact O-N 3.33Å; L851-S855 PolarHBondContact O-OG 2.71Å; S852-S855 PolarHBondContact O-N 2.83Å; I853-S855 PolarHBondContact O-N 3.02Å
856H91.4Very high91.8Very high56 Ų5644.5 Ų44.526%0.25927%0.271SS..SBendtrans-76.9133.4-178.4-170.5-74.3000111.2S852 I853 V858 L859 S860S852-H856 WeakPolarHBondContact O-CB 3.45Å; S852-H856 PolarHBondContact O-N 3.46Å; I853-H856 PolarHBondContact O-N 2.98Å; I853-H856 VanDerWaalsContact O-N 3.16Å; H856-V858 VanDerWaalsContact C-N 3.34Å; H856-V858 PolarHBondContact ND1-N 2.71Å; H856-V858 PolarHBondContact O-N 3.45Å; H856-L859 HydrophobicContact CB-CB 4.05Å; H856-L859 HydrophobicContact CB-CD1 4.41Å; H856-L859 HydrophobicContact CB-CG 4.5Å; H856-L859 PolarHBondContact ND1-N 3.46Å; H856-L859 VanDerWaalsContact ND1-N 3.14Å; H856-S860 WeakPolarHBondContact O-CB 3.28Å; H856-S860 PolarHBondContact O-N 2.87Å; H856-S860 PolarHBondContact O-OG 2.89Å
857P86.6Confident91.7Very high112 Ų11249.2 Ų49.273%0.72729%0.288SS*.THydrogen-bonded Turntrans-61.4-38-173.922.4-33.8000113.7
858V89.4Confident91.6Very high94 Ų9452.4 Ų52.457%0.5730%0.302SS*.THydrogen-bonded Turntrans-92.7-62.7-179-175.50000112.3H856 S860 S861H856-V858 VanDerWaalsContact C-N 3.34Å; H856-V858 PolarHBondContact ND1-N 2.71Å; H856-V858 PolarHBondContact O-N 3.45Å; V858-S860 PolarHBondContact O-N 3.47Å; V858-S861 PolarHBondContact O-N 3.16Å; V858-S861 PolarHBondContact O-OG 3.07Å
859L89.8Confident91.4Very high18 Ų1853.6 Ų53.69%0.09431%0.307CS..G310 helixtrans-55.2-25.3-176.1-58.1173.8000115P826 I853 H856 S861 E862P826-L859 HydrophobicContact CB-CD1 4.45Å; P826-L859 HydrophobicContact CG-CD1 3.69Å; I853-L859 HydrophobicContact CG2-CB 4.24Å; H856-L859 HydrophobicContact CB-CB 4.05Å; H856-L859 HydrophobicContact CB-CD1 4.41Å; H856-L859 HydrophobicContact CB-CG 4.5Å; H856-L859 PolarHBondContact ND1-N 3.46Å; H856-L859 VanDerWaalsContact ND1-N 3.14Å; L859-S861 PolarHBondContact O-N 2.93Å; L859-E862 WeakPolarHBondContact CD2-OE2 3.41Å; L859-E862 PolarHBondContact O-N 3.42Å
860S88.2Confident91.3Very high48 Ų4856.4 Ų56.434%0.33632%0.322SS..G310 helixtrans-64-18.7176.661.10000114I853 H856 V858I853-S860 WeakPolarHBondContact O-CA 3.4Å; I853-S860 VanDerWaalsContact O-CB 3.3Å; I853-S860 WeakPolarHBondContact O-CB 3.49Å; I853-S860 PolarHBondContact O-N 3.14Å; H856-S860 WeakPolarHBondContact O-CB 3.28Å; H856-S860 PolarHBondContact O-N 2.87Å; H856-S860 PolarHBondContact O-OG 2.89Å; V858-S860 PolarHBondContact O-N 3.47Å
861S89.6Confident91.2Very high94 Ų9459 Ų5966%0.65734%0.338SS*.G310 helixtrans-104.7-5.9177.964.60000113.7V858 L859 P863V858-S861 PolarHBondContact O-N 3.16Å; V858-S861 PolarHBondContact O-OG 3.07Å; L859-S861 PolarHBondContact O-N 2.93Å; S861-P863 WeakPolarHBondContact O-CD 3.21Å
862E91.4Very high91Very high79 Ų7963 Ų6337%0.36935%0.354SS..SBendtrans-83.9116.1-178-175.4-176.3152.700110.6L859 G864 A865L859-E862 WeakPolarHBondContact CD2-OE2 3.41Å; L859-E862 PolarHBondContact O-N 3.42Å; E862-G864 PolarHBondContact O-N 2.86Å; E862-A865 HydrophobicContact CB-CB 3.93Å; E862-A865 HydrophobicContact CG-CB 4.06Å; E862-A865 WeakPolarHBondContact O-CB 2.98Å; E862-A865 PolarHBondContact O-N 3.37Å
863P87.7Confident90.8Very high124 Ų12462.6 Ų62.681%0.80535%0.351SS*.THydrogen-bonded Turntrans-64.5132.1177.8-17.230.7000110.8S861 A865S861-P863 WeakPolarHBondContact O-CD 3.21Å; P863-A865 VanDerWaalsContact C-N 3.29Å; P863-A865 PolarHBondContact O-N 3.49Å
864G91.4Very high90.5Very high36 Ų3669.3 Ų69.337%0.37138%0.38SS..THydrogen-bonded Turntrans84.2-5.2177.900000115E862 L866 E867 Q868E862-G864 PolarHBondContact O-N 2.86Å; G864-L866 VanDerWaalsContact C-N 3.33Å; G864-L866 PolarHBondContact O-N 3.33Å; G864-E867 VanDerWaalsContact C-OE2 3.27Å; G864-E867 WeakPolarHBondContact CA-OE2 3.48Å; G864-E867 PolarHBondContact O-N 2.9Å; G864-Q868 WeakPolarHBondContact O-CB 3.29Å; G864-Q868 PolarHBondContact O-N 3.19Å
865A91.3Very high90.3Very high1 Ų169 Ų691%0.00839%0.388CS..Hα-helixtrans-60.3-42.6-176.300000112.1I853 E862 P863 R869I853-A865 HydrophobicContact CG2-CB 4.47Å; E862-A865 HydrophobicContact CB-CB 3.93Å; E862-A865 HydrophobicContact CG-CB 4.06Å; E862-A865 WeakPolarHBondContact O-CB 2.98Å; E862-A865 PolarHBondContact O-N 3.37Å; P863-A865 VanDerWaalsContact C-N 3.29Å; P863-A865 PolarHBondContact O-N 3.49Å; A865-R869 WeakPolarHBondContact O-CD 3.35Å; A865-R869 PolarHBondContact O-N 3.37Å
866L92.3Very high89.8Confident49 Ų4968.7 Ų68.726%0.25738%0.383SS..Hα-helixtrans-66.3-48.4177.3178.859.1000111.4A850 I853 G864 Q868 R869 L870A850-L866 HydrophobicContact CB-CD1 3.97Å; A850-L866 HydrophobicContact CB-CD2 4.19Å; I853-L866 HydrophobicContact CD1-CB 4.17Å; I853-L866 HydrophobicContact CD1-CD1 3.89Å; G864-L866 VanDerWaalsContact C-N 3.33Å; G864-L866 PolarHBondContact O-N 3.33Å; L866-Q868 VanDerWaalsContact C-N 3.27Å; L866-Q868 PolarHBondContact O-N 2.72Å; L866-R869 PolarHBondContact O-N 3.26Å; L866-R869 VanDerWaalsContact O-N 3.15Å; L866-L870 HydrophobicContact CD1-CD1 3.9Å; L866-L870 HydrophobicContact CD1-CD2 4.3Å; L866-L870 HydrophobicContact CD1-CG 3.81Å; L866-L870 HydrophobicContact CD2-CD1 4.41Å; L866-L870 HydrophobicContact CG-CD1 3.8Å; L866-L870 HydrophobicContact CG-CG 4.14Å; L866-L870 WeakPolarHBondContact O-CB 3.21Å; L866-L870 VanDerWaalsContact O-CG 3.31Å; L866-L870 WeakPolarHBondContact O-CG 3.27Å; L866-L870 PolarHBondContact O-N 3.38Å
867E93Very high89.1Confident124 Ų12467 Ų6758%0.57938%0.376SS*.Hα-helixtrans-59.6-39179.6-65.481.6178.900111.6G864 S871G864-E867 VanDerWaalsContact C-OE2 3.27Å; G864-E867 WeakPolarHBondContact CA-OE2 3.48Å; G864-E867 PolarHBondContact O-N 2.9Å; E867-S871 WeakPolarHBondContact O-CB 3.43Å; E867-S871 PolarHBondContact O-N 2.98Å; E867-S871 PolarHBondContact O-OG 3.45Å
868Q92.4Very high88.5Confident110 Ų11065 Ų6551%0.51436%0.361SS..Hα-helixtrans-64.3-42.9175.6-170.6-176.714.500112.1G864 L866 S871 R872G864-Q868 WeakPolarHBondContact O-CB 3.29Å; G864-Q868 PolarHBondContact O-N 3.19Å; L866-Q868 VanDerWaalsContact C-N 3.27Å; L866-Q868 PolarHBondContact O-N 2.72Å; Q868-S871 WeakPolarHBondContact CA-OG 3.25Å; Q868-S871 PolarHBondContact O-OG 3.43Å; Q868-R872 WeakPolarHBondContact O-CB 3.39Å; Q868-R872 PolarHBondContact O-N 3.05Å
869R91.9Very high87.3Confident24 Ų2463.3 Ų63.39%0.09135%0.354CS..Hα-helixtrans-75.9-34.6179.3-81.678.8-175.2173.9-6.9112.2P826 D827 L830 I853 A865 L866 R872 L873P826-R869 HydrophobicContact CB-CG 4.48Å; D827-R869 IonicContact OD1-NE 3.64Å; D827-R869 PolarHBondContact OD1-NE 2.99Å; D827-R869 IonicContact OD1-NH2 2.98Å; D827-R869 IonicContact OD2-CZ 3.83Å; D827-R869 IonicContact OD2-NE 2.6Å; D827-R869 IonicContact OD2-NH2 3.61Å; D827-R869 PolarHBondContact OD2-NH2 2.87Å; L830-R869 HydrophobicContact CD1-CB 4.13Å; L830-R869 HydrophobicContact CD1-CG 3.85Å; I853-R869 HydrophobicContact CD1-CB 4.18Å; I853-R869 HydrophobicContact CD1-CG 4.36Å; A865-R869 WeakPolarHBondContact O-CD 3.35Å; A865-R869 PolarHBondContact O-N 3.37Å; L866-R869 PolarHBondContact O-N 3.26Å; L866-R869 VanDerWaalsContact O-N 3.15Å; R869-R872 PolarHBondContact O-N 3.34Å; R869-L873 WeakPolarHBondContact O-CB 3.44Å; R869-L873 PolarHBondContact O-N 2.94Å
870L93.5Very high85.7Confident60 Ų6065.5 Ų65.531%0.31437%0.365SS..Hα-helixtrans-66.9-39.6173.8-70.4-179.6000112.1A846 L866 L873 K874A846-L870 HydrophobicContact CB-CD2 3.61Å; L866-L870 HydrophobicContact CD1-CD1 3.9Å; L866-L870 HydrophobicContact CD1-CD2 4.3Å; L866-L870 HydrophobicContact CD1-CG 3.81Å; L866-L870 HydrophobicContact CD2-CD1 4.41Å; L866-L870 HydrophobicContact CG-CD1 3.8Å; L866-L870 HydrophobicContact CG-CG 4.14Å; L866-L870 WeakPolarHBondContact O-CB 3.21Å; L866-L870 VanDerWaalsContact O-CG 3.31Å; L866-L870 WeakPolarHBondContact O-CG 3.27Å; L866-L870 PolarHBondContact O-N 3.38Å; L870-L873 PolarHBondContact O-N 3.49Å; L870-K874 WeakPolarHBondContact O-CB 3.48Å; L870-K874 PolarHBondContact O-N 3.26Å
871S91.4Very high84Confident64 Ų6471.1 Ų71.145%0.44838%0.384SS..Hα-helixtrans-64.4-43.6172.655.90000111.1E867 Q868 K874 T875E867-S871 WeakPolarHBondContact O-CB 3.43Å; E867-S871 PolarHBondContact O-N 2.98Å; E867-S871 PolarHBondContact O-OG 3.45Å; Q868-S871 WeakPolarHBondContact CA-OG 3.25Å; Q868-S871 PolarHBondContact O-OG 3.43Å; S871-K874 PolarHBondContact O-N 3.49Å; S871-T875 WeakPolarHBondContact O-CG2 3.48Å; S871-T875 PolarHBondContact O-N 2.89Å; S871-T875 PolarHBondContact O-OG1 3.18Å
872R90.3Very high81.9Confident84 Ų8476.6 Ų76.632%0.31739%0.39SS..Hα-helixtrans-58.4-48173.6-171.1167.4175.9-141.4-8.6111.9D827 L830 N831 Q868 R869 K874 T875 M876D827-R872 IonicContact OD1-NH1 3.77Å; D827-R872 PolarHBondContact OD1-NH1 2.86Å; L830-R872 HydrophobicContact CD1-CB 4.11Å; L830-R872 HydrophobicContact CD1-CG 3.95Å; N831-R872 PolarHBondContact OD1-NH2 3.1Å; Q868-R872 WeakPolarHBondContact O-CB 3.39Å; Q868-R872 PolarHBondContact O-N 3.05Å; R869-R872 PolarHBondContact O-N 3.34Å; R872-K874 VanDerWaalsContact C-N 3.35Å; R872-K874 PolarHBondContact O-N 3.49Å; R872-T875 WeakPolarHBondContact CA-OG1 3.47Å; R872-T875 PolarHBondContact O-N 3.15Å; R872-T875 VanDerWaalsContact O-N 3.16Å; R872-T875 PolarHBondContact O-OG1 3.31Å; R872-M876 HydrophobicContact CG-CE 3.57Å; R872-M876 HydrophobicContact CG-SD 3.96Å; R872-M876 VanDerWaalsContact O-CG 3.29Å; R872-M876 WeakPolarHBondContact O-CG 3.36Å; R872-M876 PolarHBondContact O-N 3.28Å
873L90.3Very high79.5Confident3 Ų380.9 Ų80.92%0.01641%0.41CS..Hα-helixtrans-55-48.5174.3-178.968.9000111.7L830 I833 V842 Y845 A846 L849 R869 L870 T875 M876 L877L830-L873 HydrophobicContact CD2-CB 3.94Å; L830-L873 HydrophobicContact CD2-CD1 3.98Å; I833-L873 HydrophobicContact CD1-CD1 3.77Å; V842-L873 HydrophobicContact CG1-CD2 4.37Å; Y845-L873 HydrophobicContact CG-CD1 4.49Å; A846-L873 HydrophobicContact CB-CD2 4.4Å; L849-L873 HydrophobicContact CD1-CB 4.21Å; L849-L873 HydrophobicContact CD1-CD2 3.98Å; L849-L873 HydrophobicContact CD1-CG 4.48Å; R869-L873 WeakPolarHBondContact O-CB 3.44Å; R869-L873 PolarHBondContact O-N 2.94Å; L870-L873 PolarHBondContact O-N 3.49Å; L873-T875 VanDerWaalsContact C-N 3.34Å; L873-T875 PolarHBondContact O-N 3.03Å; L873-M876 PolarHBondContact O-N 2.96Å; L873-L877 HydrophobicContact CD1-CD1 3.71Å; L873-L877 HydrophobicContact CD1-CG 4.25Å; L873-L877 HydrophobicContact CG-CD1 3.91Å; L873-L877 WeakPolarHBondContact O-CG 3.27Å; L873-L877 PolarHBondContact O-N 3.14Å
874K87.8Confident77Confident152 Ų15284.5 Ų84.566%0.66142%0.421SS*.Hα-helixtrans-61.9-41178.4-172.1177.8-179.2179.30111.7L870 S871 R872 T878L870-K874 WeakPolarHBondContact O-CB 3.48Å; L870-K874 PolarHBondContact O-N 3.26Å; S871-K874 PolarHBondContact O-N 3.49Å; R872-K874 VanDerWaalsContact C-N 3.35Å; R872-K874 PolarHBondContact O-N 3.49Å; K874-T878 WeakPolarHBondContact O-CB 3.48Å; K874-T878 WeakPolarHBondContact O-CG2 3.38Å; K874-T878 PolarHBondContact O-N 2.74Å; K874-T878 VanDerWaalsContact O-N 3.11Å; K874-T878 PolarHBondContact O-OG1 2.72Å
875T85.9Confident76.3Confident83 Ų8387 Ų8751%0.50942%0.424SS..Hα-helixtrans-64.4-43.2176.1590000112.1S871 R872 L873 T878 S879S871-T875 WeakPolarHBondContact O-CG2 3.48Å; S871-T875 PolarHBondContact O-N 2.89Å; S871-T875 PolarHBondContact O-OG1 3.18Å; R872-T875 WeakPolarHBondContact CA-OG1 3.47Å; R872-T875 PolarHBondContact O-N 3.15Å; R872-T875 VanDerWaalsContact O-N 3.16Å; R872-T875 PolarHBondContact O-OG1 3.31Å; L873-T875 VanDerWaalsContact C-N 3.34Å; L873-T875 PolarHBondContact O-N 3.03Å; T875-T878 WeakPolarHBondContact CA-OG1 3.34Å; T875-T878 PolarHBondContact O-N 3.19Å; T875-T878 PolarHBondContact O-OG1 3.21Å; T875-S879 PolarHBondContact O-N 3.22Å; T875-S879 PolarHBondContact O-OG 3.42Å
876M81.1Confident75.5Confident28 Ų2891.5 Ų91.514%0.13845%0.446CS..Hα-helixtrans-63.8-46.3-179.4-70.9168.8165.300112.3L830 V834 R872 L873 T878 S879 D880L830-M876 HydrophobicContact CB-CE 4.23Å; L830-M876 HydrophobicContact CB-SD 4.08Å; L830-M876 HydrophobicContact CD2-SD 4.11Å; V834-M876 HydrophobicContact CG2-CE 3.56Å; V834-M876 HydrophobicContact CG2-CG 4.06Å; V834-M876 HydrophobicContact CG2-SD 3.7Å; R872-M876 HydrophobicContact CG-CE 3.57Å; R872-M876 HydrophobicContact CG-SD 3.96Å; R872-M876 VanDerWaalsContact O-CG 3.29Å; R872-M876 WeakPolarHBondContact O-CG 3.36Å; R872-M876 PolarHBondContact O-N 3.28Å; L873-M876 PolarHBondContact O-N 2.96Å; M876-T878 VanDerWaalsContact C-N 3.33Å; M876-T878 PolarHBondContact O-N 3.05Å; M876-S879 WeakPolarHBondContact CA-OG 3.02Å; M876-S879 PolarHBondContact O-N 3.08Å; M876-S879 PolarHBondContact O-OG 3.37Å; M876-D880 PolarHBondContact O-N 3.29Å
877L75.4Confident74.5Confident21 Ų2193.8 Ų93.811%0.1146%0.456CS..Hα-helixtrans-76.9-20.9-177.6-63.2174.8000113.1I833 A838 V842 L873 K881I833-L877 HydrophobicContact CG2-CD2 4.04Å; A838-L877 HydrophobicContact CB-CD2 3.54Å; V842-L877 HydrophobicContact CB-CD1 4.17Å; V842-L877 HydrophobicContact CG1-CD1 3.84Å; V842-L877 HydrophobicContact CG2-CD1 3.75Å; L873-L877 HydrophobicContact CD1-CD1 3.71Å; L873-L877 HydrophobicContact CD1-CG 4.25Å; L873-L877 HydrophobicContact CG-CD1 3.91Å; L873-L877 WeakPolarHBondContact O-CG 3.27Å; L873-L877 PolarHBondContact O-N 3.14Å; L877-K881 PolarHBondContact O-N 3.21Å
878T73.9Confident73.4Confident69 Ų6992.1 Ų92.142%0.42345%0.449SS..Hα-helixtrans-81.7-25.8170.853.20000112.9K874 T875 M876K874-T878 WeakPolarHBondContact O-CB 3.48Å; K874-T878 WeakPolarHBondContact O-CG2 3.38Å; K874-T878 PolarHBondContact O-N 2.74Å; K874-T878 VanDerWaalsContact O-N 3.11Å; K874-T878 PolarHBondContact O-OG1 2.72Å; T875-T878 WeakPolarHBondContact CA-OG1 3.34Å; T875-T878 PolarHBondContact O-N 3.19Å; T875-T878 PolarHBondContact O-OG1 3.21Å; M876-T878 VanDerWaalsContact C-N 3.33Å; M876-T878 PolarHBondContact O-N 3.05Å
879S64.2Low72.3Confident59 Ų5990.9 Ų90.941%0.41345%0.445SS..Hα-helixtrans-72.9-38.9168.741.60000112.3T875 M876 K881 R882T875-S879 PolarHBondContact O-N 3.22Å; T875-S879 PolarHBondContact O-OG 3.42Å; M876-S879 WeakPolarHBondContact CA-OG 3.02Å; M876-S879 PolarHBondContact O-N 3.08Å; M876-S879 PolarHBondContact O-OG 3.37Å; S879-K881 VanDerWaalsContact C-N 3.33Å; S879-K881 PolarHBondContact O-N 3.18Å; S879-R882 PolarHBondContact O-N 3.28Å
880D56.3Low71Confident63 Ų6395.4 Ų95.434%0.33747%0.469SS..Hα-helixtrans-63.8-39-179.7-128.60.8000112M876 R882 H883 L884M876-D880 PolarHBondContact O-N 3.29Å; D880-R882 PolarHBondContact O-N 3.39Å; D880-R882 VanDerWaalsContact O-N 3.09Å; D880-H883 PolarHBondContact O-N 2.69Å; D880-L884 PolarHBondContact O-N 3.35Å
881K52.4Low69.3Low167 Ų16797.9 Ų97.973%0.72648%0.48SS*.THydrogen-bonded Turntrans-64.7-8.8173.1-78.3-171.9173.5-173.70115.3L877 S879L877-K881 PolarHBondContact O-N 3.21Å; S879-K881 VanDerWaalsContact C-N 3.33Å; S879-K881 PolarHBondContact O-N 3.18Å
882R46.8Very low67.6Low208 Ų208100.5 Ų100.579%0.78548%0.482SS*.THydrogen-bonded Turntrans-93.6-11171-61.5-172.4-141.9173.65.2112.5S879 D880S879-R882 PolarHBondContact O-N 3.28Å; D880-R882 PolarHBondContact O-N 3.39Å; D880-R882 VanDerWaalsContact O-N 3.09Å
883H39.7Very low65.8Low170 Ų170101.9 Ų101.979%0.78750%0.496SS*.THydrogen-bonded Turntrans-104.6-18.1179.9-80.6-74.2000113.7D880D880-H883 PolarHBondContact O-N 2.69Å
884L35.5Very low63.5Low200 Ų200110.9 Ų110.9100%1.04754%0.54SS*.  trans-87.80158.9-74.9156.8000109.8D880D880-L884 PolarHBondContact O-N 3.35Å

Retrieved 884 of 884 residues in 558.2 ms (Link to these results)

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