A0A087X994_POEFO Loading...

P2Y purinoceptor 2

AlphaFold DB , UniProt , Accession A0A087X994, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.8Very low32.4Very low250 Ų250157.7 Ų157.7100%1.23285%0.853SS**  0120.80-83.5173.9-167.700106.5
2A27.3Very low32.8Very low99 Ų99152.7 Ų152.782%0.81884%0.838SS**  cis-145158.219.700000110.9
3Y28.1Very low33.6Very low216 Ų216154.2 Ų154.285%0.84785%0.845SS**  trans-62.7144.9179.5-76.4-109.1000112.6
4S28.2Very low34.3Very low111 Ų111150.1 Ų150.178%0.77683%0.832SS**  trans-129.5108.7150.759.40000108.9I6S4-I6 PolarHBondContact O-N 3.41Å
5H29.6Very low35.7Very low166 Ų166146.5 Ų146.577%0.76982%0.822SS**  trans-53.1121.5175-77.9-102.1000111.5
6I35.7Very low36.9Very low163 Ų163141.2 Ų141.284%0.83680%0.797SS**  trans-91.7110.7159.7-61.8176.3000106.4S4 M8S4-I6 PolarHBondContact O-N 3.41Å; I6-M8 PolarHBondContact O-N 3.39Å
7N25.5Very low38.4Very low129 Ų129138.2 Ų138.269%0.6979%0.785SS**  trans-52.3128.1176.4-83.6-24.5000111.5T9N7-T9 VanDerWaalsContact C-N 3.3Å; N7-T9 PolarHBondContact O-N 3.26Å
8M39Very low40.3Very low197 Ų197139.7 Ų139.797%0.9778%0.782SS**  trans-71.788.1158-71.9-175.1-165.400108.4I6I6-M8 PolarHBondContact O-N 3.39Å
9T33Very low42.6Very low124 Ų124133.9 Ų133.976%0.76175%0.752SS**  trans-92.9111.4161.526.60000108.8N7 S11N7-T9 VanDerWaalsContact C-N 3.3Å; N7-T9 PolarHBondContact O-N 3.26Å; T9-S11 PolarHBondContact O-N 3.26Å; T9-S11 VanDerWaalsContact O-N 3.09Å
10N42.2Very low44.6Very low168 Ų168139.3 Ų139.390%0.89876%0.759SS**  trans-1199.1166.4-90-21.9000114.2S12N10-S12 PolarHBondContact O-N 3.26Å; N10-S12 VanDerWaalsContact O-N 3.12Å
11S33.7Very low46.7Very low112 Ų112135.3 Ų135.378%0.78374%0.735SS**  trans-69.2109.5163.656.20000107.9T9T9-S11 PolarHBondContact O-N 3.26Å; T9-S11 VanDerWaalsContact O-N 3.09Å
12S37.3Very low49.1Very low97 Ų97128.4 Ų128.468%0.67870%0.703SS**  trans-19.8135.8156.441.80000113.9N10 S14N10-S12 PolarHBondContact O-N 3.26Å; N10-S12 VanDerWaalsContact O-N 3.12Å; S12-S14 PolarHBondContact O-N 3.21Å; S12-S14 PolarHBondContact O-OG 3.16Å
13N43.6Very low51.9Low173 Ų173125 Ų12593%0.92567%0.67SS**  trans-58.767.7171.6-147.311.7000110.3S15N13-S15 PolarHBondContact O-N 3.1Å
14S43.3Very low54.8Low96 Ų96119.5 Ų119.567%0.67166%0.655SS**  trans-76.6111.3171.7490000106.3S12 S16S12-S14 PolarHBondContact O-N 3.21Å; S12-S14 PolarHBondContact O-OG 3.16Å; S14-S16 PolarHBondContact O-N 3.18Å
15S55.7Low57.9Low96 Ų96117.3 Ų117.367%0.67163%0.632SS**  trans-58.589.716830.90000108N13 P17N13-S15 PolarHBondContact O-N 3.1Å; S15-P17 VanDerWaalsContact O-N 3.11Å
16S54.3Low60.9Low62 Ų62110.4 Ų110.443%0.43460%0.6SS.*  trans-47123.7173.6170.10000108S14 F18 R280S14-S16 PolarHBondContact O-N 3.18Å; S16-F18 PolarHBondContact O-N 3.48Å; S16-F18 VanDerWaalsContact O-N 3.09Å; S16-F18 PolarHBondContact OG-N 2.96Å; S16-F18 PolarHBondContact OG-O 2.86Å; S16-R280 PolarHBondContact O-NH2 3.24Å; S16-R280 VanDerWaalsContact O-NH2 3.15Å
17P61.7Low63.7Low91 Ų91104.5 Ų104.559%0.59157%0.568SS**SBendtrans-60.4-23.8179.221-29.3000110.9S15S15-P17 VanDerWaalsContact O-N 3.11Å
18F73.3Confident67Low164 Ų164104.3 Ų104.372%0.71957%0.566SS**SBendtrans-100.4122.9178.2-58.9-77.6000111.5S16S16-F18 PolarHBondContact O-N 3.48Å; S16-F18 VanDerWaalsContact O-N 3.09Å; S16-F18 PolarHBondContact OG-N 2.96Å; S16-F18 PolarHBondContact OG-O 2.86Å
19C83.8Confident69.7Low31 Ų3197.5 Ų97.521%0.20953%0.533CS..PPolyproline II helixtrans-84.1130.8166.1-57.50000109.5F21 R280 C289C19-F21 HydrophobicContact CB-CD1 4.16Å; C19-F21 HydrophobicContact CB-CE1 3.37Å; C19-F21 HydrophobicContact CB-CZ 3.7Å; C19-R280 VanDerWaalsContact SG-CZ 3.54Å; C19-R280 PolarHBondContact SG-NE 2.71Å; C19-C289 VanDerWaalsContact CA-SG 3.55Å; C19-C289 HydrophobicContact CB-CB 3.78Å; C19-C289 WeakPolarHBondContact CB-SG 3.42Å; C19-C289 WeakPolarHBondContact SG-CA 3.36Å; C19-C289 WeakPolarHBondContact SG-CB 3.26Å; C19-C289 CovalentContact SG-SG 2.05Å; C19-C289 PolarHBondContact SG-SG 2.88Å
20R83.5Confident72.7Confident240 Ų24091.6 Ų91.691%0.90650%0.497SS*.PPolyproline II helixtrans-98.6122.9168.7-67.8-175.1179.1179.50.5107.7
21F87.3Confident75.3Confident56 Ų5684.2 Ų84.225%0.24646%0.458CS..PPolyproline II helixtrans-102.4141.4177.6-55.1-37.2000109.6C19 E23 L292 E293C19-F21 HydrophobicContact CB-CD1 4.16Å; C19-F21 HydrophobicContact CB-CE1 3.37Å; C19-F21 HydrophobicContact CB-CZ 3.7Å; F21-E23 HydrophobicContact CB-CG 3.73Å; F21-L292 HydrophobicContact CE1-CB 4.49Å; F21-L292 HydrophobicContact CE1-CG 4.44Å; F21-L292 HydrophobicContact CE2-CG 4.5Å; F21-L292 HydrophobicContact CZ-CB 4.2Å; F21-L292 HydrophobicContact CZ-CD2 3.8Å; F21-L292 HydrophobicContact CZ-CG 3.68Å; F21-E293 WeakPolarHBondContact CA-OE1 3.44Å; F21-E293 HydrophobicContact CB-CG 4.23Å; F21-E293 HydrophobicContact CD1-CB 3.49Å; F21-E293 VanDerWaalsContact CD1-CB 3.49Å; F21-E293 HydrophobicContact CD1-CG 3.67Å; F21-E293 HydrophobicContact CE1-CB 3.69Å; F21-E293 HydrophobicContact CE1-CG 4.38Å; F21-E293 HydrophobicContact CG-CB 4.34Å; F21-E293 HydrophobicContact CG-CG 4.16Å
22N84.4Confident78.4Confident105 Ų10582.8 Ų82.856%0.56144%0.444SS*.  trans-88.4112.2164.3-175.5-16.7000108.3D24 E293N22-D24 PolarHBondContact OD1-N 3.21Å; N22-D24 PolarHBondContact OD1-OD2 3.25Å; N22-E293 PolarHBondContact N-OE1 3.4Å
23E86.3Confident81.3Confident29 Ų2979.3 Ų79.314%0.13642%0.42CS..  trans-120.115.4-175.1-54.6-169.3154.900113.5F21 F25 K26 S296 K300F21-E23 HydrophobicContact CB-CG 3.73Å; E23-F25 HydrophobicContact CB-CE1 4.36Å; E23-F25 PolarHBondContact O-N 3.26Å; E23-F25 VanDerWaalsContact O-N 3.1Å; E23-K26 HydrophobicContact CB-CD 3.97Å; E23-K26 WeakPolarHBondContact O-CB 3.29Å; E23-K26 WeakPolarHBondContact O-CD 3.43Å; E23-K26 WeakPolarHBondContact O-CG 3.49Å; E23-K26 PolarHBondContact O-N 3.37Å; E23-K26 IonicContact OE2-NZ 2.94Å; E23-K26 PolarHBondContact OE2-NZ 3.33Å; E23-S296 PolarHBondContact OE1-OG 2.93Å; E23-K300 IonicContact OE1-NZ 3.23Å; E23-K300 PolarHBondContact OE1-NZ 3.44Å; E23-K300 WeakPolarHBondContact OE2-CE 3.3Å; E23-K300 IonicContact OE2-NZ 2.64Å; E23-K300 PolarHBondContact OE2-NZ 3.16Å
24D90.1Very high83.9Confident99 Ų9971.1 Ų71.153%0.52938%0.376SS..THydrogen-bonded Turntrans-62.3-26-171.8-60.2-12.9000112.2N22 K26 F27N22-D24 PolarHBondContact OD1-N 3.21Å; N22-D24 PolarHBondContact OD1-OD2 3.25Å; D24-K26 PolarHBondContact O-N 3.5Å; D24-F27 HydrophobicContact CB-CD2 4.2Å; D24-F27 HydrophobicContact CB-CE2 4.43Å; D24-F27 WeakPolarHBondContact O-CB 3.25Å; D24-F27 WeakPolarHBondContact O-CD2 3.36Å; D24-F27 PolarHBondContact O-N 2.93Å
25F92.5Very high86.5Confident65 Ų6568.3 Ų68.329%0.28536%0.359SS..THydrogen-bonded Turntrans-53.6-28.6173.577.4-88.4000112.9E23 F27 I28 L29 V297 K300 V301E23-F25 HydrophobicContact CB-CE1 4.36Å; E23-F25 PolarHBondContact O-N 3.26Å; E23-F25 VanDerWaalsContact O-N 3.1Å; F25-F27 PolarHBondContact O-N 3.05Å; F25-I28 PolarHBondContact O-N 3.48Å; F25-L29 HydrophobicContact CD2-CB 4.33Å; F25-L29 HydrophobicContact CD2-CD2 3.91Å; F25-L29 HydrophobicContact CE2-CD2 3.9Å; F25-L29 VanDerWaalsContact O-CB 3.29Å; F25-L29 WeakPolarHBondContact O-CB 3.38Å; F25-L29 PolarHBondContact O-N 3.31Å; F25-V297 HydrophobicContact CE1-CB 4.49Å; F25-V297 HydrophobicContact CE1-CG1 4.29Å; F25-V297 HydrophobicContact CE1-CG2 3.87Å; F25-V297 HydrophobicContact CZ-CB 4.28Å; F25-V297 HydrophobicContact CZ-CG1 3.96Å; F25-V297 HydrophobicContact CZ-CG2 4.14Å; F25-K300 HydrophobicContact CE2-CB 4.29Å; F25-K300 HydrophobicContact CZ-CB 4.03Å; F25-K300 HydrophobicContact CZ-CD 4.2Å; F25-V301 HydrophobicContact CE2-CG2 4.04Å
26K92.6Very high88.5Confident22 Ų2268.5 Ų68.510%0.09635%0.352CS..Hα-helixtrans-66.9-26.6-178.381.9-167159.6179.60112.2E23 D24 I28 L30 P31 N91 K300E23-K26 HydrophobicContact CB-CD 3.97Å; E23-K26 WeakPolarHBondContact O-CB 3.29Å; E23-K26 WeakPolarHBondContact O-CD 3.43Å; E23-K26 WeakPolarHBondContact O-CG 3.49Å; E23-K26 PolarHBondContact O-N 3.37Å; E23-K26 IonicContact OE2-NZ 2.94Å; E23-K26 PolarHBondContact OE2-NZ 3.33Å; D24-K26 PolarHBondContact O-N 3.5Å; K26-I28 PolarHBondContact O-N 3.1Å; K26-L30 HydrophobicContact CB-CD1 3.91Å; K26-L30 HydrophobicContact CB-CG 4.21Å; K26-L30 VanDerWaalsContact O-CB 3.3Å; K26-L30 WeakPolarHBondContact O-CB 3.29Å; K26-L30 WeakPolarHBondContact O-CG 3.44Å; K26-L30 PolarHBondContact O-N 3.46Å; K26-P31 WeakPolarHBondContact O-CD 3.38Å; K26-N91 VanDerWaalsContact CE-ND2 3.25Å; K26-N91 WeakPolarHBondContact CE-ND2 3.3Å; K26-N91 PolarHBondContact NZ-ND2 3.18Å; K26-K300 HydrophobicContact CB-CD 4.49Å; K26-K300 HydrophobicContact CD-CD 4.2Å
27F94.2Very high90.6Very high38 Ų3866 Ų6617%0.16733%0.333CS..Hα-helixtrans-70.9-17.2179.1-55.4-42.5000113.5D24 F25 P31 Y87 E90 N91D24-F27 HydrophobicContact CB-CD2 4.2Å; D24-F27 HydrophobicContact CB-CE2 4.43Å; D24-F27 WeakPolarHBondContact O-CB 3.25Å; D24-F27 WeakPolarHBondContact O-CD2 3.36Å; D24-F27 PolarHBondContact O-N 2.93Å; F25-F27 PolarHBondContact O-N 3.05Å; F27-P31 WeakPolarHBondContact O-CD 3.48Å; F27-P31 VanDerWaalsContact O-CG 3.26Å; F27-P31 WeakPolarHBondContact O-CG 3.45Å; F27-Y87 WeakPolarHBondContact CA-O 3.32Å; F27-Y87 VanDerWaalsContact CD1-O 3.31Å; F27-Y87 WeakPolarHBondContact CD1-O 3.13Å; F27-E90 HydrophobicContact CD1-CB 4.48Å; F27-E90 HydrophobicContact CD2-CG 4.18Å; F27-E90 HydrophobicContact CE1-CB 4.12Å; F27-E90 WeakPolarHBondContact CE1-O 3.18Å; F27-E90 HydrophobicContact CE2-CB 4.28Å; F27-E90 HydrophobicContact CE2-CG 4.27Å; F27-E90 HydrophobicContact CG-CG 4.31Å; F27-E90 HydrophobicContact CZ-CB 4Å; F27-E90 HydrophobicContact CZ-CG 4.45Å; F27-E90 WeakPolarHBondContact CZ-O 3.26Å; F27-N91 HydrophobicContact CE1-CB 4.49Å; F27-N91 WeakPolarHBondContact CE1-ND2 3.4Å; F27-N91 VanDerWaalsContact CZ-ND2 3.32Å; F27-N91 WeakPolarHBondContact CZ-ND2 3.46Å
28I95.6Very high92.3Very high125 Ų12564.3 Ų64.364%0.64132%0.317SS*.Hα-helixtrans-104.8-49.4172.2-58.6175.8000109.6F25 K26 L30 V32F25-I28 PolarHBondContact O-N 3.48Å; K26-I28 PolarHBondContact O-N 3.1Å; I28-L30 PolarHBondContact O-N 3.29Å; I28-V32 HydrophobicContact CG2-CG2 4.29Å; I28-V32 WeakPolarHBondContact O-CB 3.46Å; I28-V32 WeakPolarHBondContact O-CG2 3.45Å; I28-V32 PolarHBondContact O-N 3.46Å; I28-V32 VanDerWaalsContact O-N 3.17Å
29L95.9Very high93.5Very high55 Ų5561 Ų6129%0.28831%0.31SS..Hα-helixtrans-60.6-47.8-173.6179.265.9000112.4F25 S33 V301F25-L29 HydrophobicContact CD2-CB 4.33Å; F25-L29 HydrophobicContact CD2-CD2 3.91Å; F25-L29 HydrophobicContact CE2-CD2 3.9Å; F25-L29 VanDerWaalsContact O-CB 3.29Å; F25-L29 WeakPolarHBondContact O-CB 3.38Å; F25-L29 PolarHBondContact O-N 3.31Å; L29-S33 WeakPolarHBondContact O-CB 3.39Å; L29-S33 PolarHBondContact O-N 3.43Å; L29-S33 PolarHBondContact O-OG 3.47Å; L29-V301 HydrophobicContact CD2-CB 4.38Å; L29-V301 HydrophobicContact CD2-CG2 3.8Å
30L95.9Very high94.2Very high0 Ų063.3 Ų63.30%032%0.32CS..Hα-helixtrans-72.6-48.9-173.6-60.5178.7000112K26 I28 V32 S33 Y34 Y87 P304K26-L30 HydrophobicContact CB-CD1 3.91Å; K26-L30 HydrophobicContact CB-CG 4.21Å; K26-L30 VanDerWaalsContact O-CB 3.3Å; K26-L30 WeakPolarHBondContact O-CB 3.29Å; K26-L30 WeakPolarHBondContact O-CG 3.44Å; K26-L30 PolarHBondContact O-N 3.46Å; I28-L30 PolarHBondContact O-N 3.29Å; L30-V32 PolarHBondContact O-N 3.16Å; L30-S33 PolarHBondContact O-N 2.94Å; L30-Y34 HydrophobicContact CB-CD2 4.22Å; L30-Y34 HydrophobicContact CB-CE2 3.91Å; L30-Y34 HydrophobicContact CD2-CE2 4.35Å; L30-Y34 VanDerWaalsContact O-CB 3.28Å; L30-Y34 WeakPolarHBondContact O-CB 3.5Å; L30-Y34 WeakPolarHBondContact O-CD2 3.35Å; L30-Y34 PolarHBondContact O-N 3.48Å; L30-Y87 HydrophobicContact CB-CD1 4.36Å; L30-Y87 HydrophobicContact CB-CD2 3.74Å; L30-Y87 HydrophobicContact CB-CE2 4.3Å; L30-Y87 HydrophobicContact CB-CG 3.82Å; L30-Y87 HydrophobicContact CD1-CD1 3.56Å; L30-Y87 HydrophobicContact CD1-CD2 3.93Å; L30-Y87 HydrophobicContact CD1-CE1 3.36Å; L30-Y87 HydrophobicContact CD1-CE2 3.83Å; L30-Y87 HydrophobicContact CD1-CG 3.84Å; L30-Y87 HydrophobicContact CG-CD2 4.49Å; L30-Y87 HydrophobicContact CG-CG 4.48Å; L30-P304 HydrophobicContact CD2-CG 3.57Å
31P97.1Very high94.8Very high13 Ų1351.9 Ų51.98%0.08428%0.276CS..Hα-helixtrans-57.8-48175.6-28.838.5000113K26 F27 S33 Y34 A35 I84 A88K26-P31 WeakPolarHBondContact O-CD 3.38Å; F27-P31 WeakPolarHBondContact O-CD 3.48Å; F27-P31 VanDerWaalsContact O-CG 3.26Å; F27-P31 WeakPolarHBondContact O-CG 3.45Å; P31-S33 PolarHBondContact O-N 2.69Å; P31-Y34 PolarHBondContact O-N 3.36Å; P31-A35 WeakPolarHBondContact O-CB 3.4Å; P31-A35 PolarHBondContact O-N 3.26Å; P31-I84 HydrophobicContact CB-CG2 4.28Å; P31-A88 HydrophobicContact CB-CB 4.42Å; P31-A88 HydrophobicContact CG-CB 4.17Å
32V98.1Very high95.3Very high81 Ų8151.8 Ų51.849%0.49128%0.278SS..Hα-helixtrans-62.2-47.5-178.8172.70000110.6I28 L30 A35 L36I28-V32 HydrophobicContact CG2-CG2 4.29Å; I28-V32 WeakPolarHBondContact O-CB 3.46Å; I28-V32 WeakPolarHBondContact O-CG2 3.45Å; I28-V32 PolarHBondContact O-N 3.46Å; I28-V32 VanDerWaalsContact O-N 3.17Å; L30-V32 PolarHBondContact O-N 3.16Å; V32-A35 PolarHBondContact O-N 2.92Å; V32-L36 HydrophobicContact CG1-CD1 4.31Å; V32-L36 WeakPolarHBondContact O-CG 3.14Å; V32-L36 PolarHBondContact O-N 2.76Å
33S97.9Very high95.8Very high25 Ų2549.4 Ų49.418%0.17527%0.273CS..Hα-helixtrans-66-43-179.3-540000111.9L29 L30 P31 L36 V37L29-S33 WeakPolarHBondContact O-CB 3.39Å; L29-S33 PolarHBondContact O-N 3.43Å; L29-S33 PolarHBondContact O-OG 3.47Å; L30-S33 PolarHBondContact O-N 2.94Å; P31-S33 PolarHBondContact O-N 2.69Å; S33-L36 PolarHBondContact O-N 2.96Å; S33-V37 WeakPolarHBondContact O-CG2 3.45Å; S33-V37 PolarHBondContact O-N 2.98Å
34Y98.1Very high96.3Very high1 Ų149.7 Ų49.70%0.00428%0.276CS..Hα-helixtrans-67.8-34.3177.3-65.9-26.9000112.6L30 P31 V37 F38 L80 L83 Y87 P304 S307L30-Y34 HydrophobicContact CB-CD2 4.22Å; L30-Y34 HydrophobicContact CB-CE2 3.91Å; L30-Y34 HydrophobicContact CD2-CE2 4.35Å; L30-Y34 VanDerWaalsContact O-CB 3.28Å; L30-Y34 WeakPolarHBondContact O-CB 3.5Å; L30-Y34 WeakPolarHBondContact O-CD2 3.35Å; L30-Y34 PolarHBondContact O-N 3.48Å; P31-Y34 PolarHBondContact O-N 3.36Å; Y34-V37 PolarHBondContact O-N 3.34Å; Y34-F38 VanDerWaalsContact O-CB 3.26Å; Y34-F38 WeakPolarHBondContact O-CB 3.34Å; Y34-F38 PolarHBondContact O-N 3.44Å; Y34-L80 HydrophobicContact CD1-CD2 4.04Å; Y34-L80 HydrophobicContact CG-CD2 4.12Å; Y34-L83 HydrophobicContact CD2-CB 3.87Å; Y34-L83 HydrophobicContact CE2-CB 4.07Å; Y34-L83 HydrophobicContact CE2-CD1 4.2Å; Y34-Y87 HydrophobicContact CD2-CD2 4.24Å; Y34-Y87 HydrophobicContact CD2-CE2 4.44Å; Y34-Y87 AromaticContact CE2-CD2 3.89Å; Y34-Y87 HydrophobicContact CE2-CD2 3.89Å; Y34-Y87 AromaticContact CE2-CE2 3.7Å; Y34-Y87 HydrophobicContact CE2-CE2 3.7Å; Y34-P304 HydrophobicContact CE1-CG 4.4Å; Y34-S307 WeakPolarHBondContact CE1-OG 3.34Å
35A98.4Very high96.6Very high36 Ų3645 Ų4530%0.29825%0.251SS..Hα-helixtrans-64.4-42.8173.100000111.7P31 V32 F38 V39 I84P31-A35 WeakPolarHBondContact O-CB 3.4Å; P31-A35 PolarHBondContact O-N 3.26Å; V32-A35 PolarHBondContact O-N 2.92Å; A35-F38 PolarHBondContact O-N 3.15Å; A35-V39 WeakPolarHBondContact O-CG2 3.45Å; A35-V39 PolarHBondContact O-N 2.85Å; A35-I84 HydrophobicContact CB-CD1 4.01Å
36L98Very high96.7Very high100 Ų10044.2 Ų44.252%0.52426%0.256SS..Hα-helixtrans-61.4-46.7174.2-70.8172.8000111.6V32 S33 F38 V39 I40V32-L36 HydrophobicContact CG1-CD1 4.31Å; V32-L36 WeakPolarHBondContact O-CG 3.14Å; V32-L36 PolarHBondContact O-N 2.76Å; S33-L36 PolarHBondContact O-N 2.96Å; L36-F38 VanDerWaalsContact C-N 3.31Å; L36-F38 PolarHBondContact O-N 3.2Å; L36-V39 PolarHBondContact O-N 2.88Å; L36-I40 VanDerWaalsContact O-CB 3.28Å; L36-I40 WeakPolarHBondContact O-CB 3.49Å; L36-I40 WeakPolarHBondContact O-CG1 3.46Å; L36-I40 PolarHBondContact O-N 3.33Å
37V97.8Very high96.8Very high9 Ų946.7 Ų46.76%0.05527%0.273CS..Hα-helixtrans-62.7-39.9176.3176.10000111S33 Y34 G41 L80 S307 A308S33-V37 WeakPolarHBondContact O-CG2 3.45Å; S33-V37 PolarHBondContact O-N 2.98Å; Y34-V37 PolarHBondContact O-N 3.34Å; V37-G41 WeakPolarHBondContact O-CA 3.3Å; V37-G41 PolarHBondContact O-N 2.9Å; V37-L80 HydrophobicContact CB-CD1 3.97Å; V37-L80 HydrophobicContact CG1-CD1 3.62Å; V37-S307 WeakPolarHBondContact CG1-O 3.19Å; V37-A308 HydrophobicContact CG2-CB 4.28Å
38F98.4Very high96.7Very high56 Ų5645.2 Ų45.225%0.24627%0.268CS..Hα-helixtrans-61.6-54.2177.7176.3-105.8000111.4Y34 A35 L36 L42 I77 L80 P81 I84Y34-F38 VanDerWaalsContact O-CB 3.26Å; Y34-F38 WeakPolarHBondContact O-CB 3.34Å; Y34-F38 PolarHBondContact O-N 3.44Å; A35-F38 PolarHBondContact O-N 3.15Å; L36-F38 VanDerWaalsContact C-N 3.31Å; L36-F38 PolarHBondContact O-N 3.2Å; F38-L42 HydrophobicContact CE2-CD2 4.18Å; F38-L42 HydrophobicContact CZ-CD2 3.96Å; F38-L42 WeakPolarHBondContact O-CB 3.35Å; F38-L42 PolarHBondContact O-N 2.84Å; F38-I77 HydrophobicContact CD2-CG2 3.79Å; F38-I77 WeakPolarHBondContact CD2-O 3.5Å; F38-I77 HydrophobicContact CE2-CG2 4.26Å; F38-L80 HydrophobicContact CB-CB 4.14Å; F38-L80 HydrophobicContact CB-CD1 3.99Å; F38-L80 HydrophobicContact CD2-CB 4.31Å; F38-P81 HydrophobicContact CD2-CG 3.97Å; F38-P81 HydrophobicContact CE2-CG 3.64Å; F38-P81 HydrophobicContact CZ-CG 4Å; F38-I84 HydrophobicContact CB-CD1 4.33Å
39V98.1Very high96.6Very high95 Ų9540.8 Ų40.858%0.57625%0.245SC*.Hα-helixtrans-65.3-51.4-176.6173.90000111.4A35 L36 A43A35-V39 WeakPolarHBondContact O-CG2 3.45Å; A35-V39 PolarHBondContact O-N 2.85Å; L36-V39 PolarHBondContact O-N 2.88Å; V39-A43 WeakPolarHBondContact O-CB 3.42Å; V39-A43 PolarHBondContact O-N 3.26Å
40I97.4Very high96.5Very high79 Ų7943.5 Ų43.541%0.40526%0.255SS..Hα-helixtrans-70-48.2-176.4-62.8170.3000109.9L36 A43 L44 C311L36-I40 VanDerWaalsContact O-CB 3.28Å; L36-I40 WeakPolarHBondContact O-CB 3.49Å; L36-I40 WeakPolarHBondContact O-CG1 3.46Å; L36-I40 PolarHBondContact O-N 3.33Å; I40-A43 PolarHBondContact O-N 3.03Å; I40-L44 HydrophobicContact CG2-CD1 3.55Å; I40-L44 HydrophobicContact CG2-CG 4.31Å; I40-L44 WeakPolarHBondContact O-CB 3.33Å; I40-L44 WeakPolarHBondContact O-CD1 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.32Å; I40-L44 PolarHBondContact O-N 2.93Å; I40-C311 HydrophobicContact CG2-CB 4.11Å
41G96.9Very high96.3Very high0 Ų046.2 Ų46.20%027%0.272CS..Hα-helixtrans-62.8-44.7-178.500000111.9V37 L44 N45 I77 C311V37-G41 WeakPolarHBondContact O-CA 3.3Å; V37-G41 PolarHBondContact O-N 2.9Å; G41-L44 PolarHBondContact O-N 2.83Å; G41-N45 VanDerWaalsContact O-CB 3.29Å; G41-N45 WeakPolarHBondContact O-CB 3.44Å; G41-N45 PolarHBondContact O-N 3.21Å; G41-N45 PolarHBondContact O-ND2 3.28Å; G41-I77 VanDerWaalsContact C-CD1 3.47Å; G41-C311 VanDerWaalsContact CA-SG 3.59Å; G41-C311 PolarHBondContact N-SG 3Å; G41-C311 VanDerWaalsContact N-SG 3.42Å
42L96.8Very high96Very high54 Ų5446.7 Ų46.728%0.28327%0.273SS..Hα-helixtrans-62.1-47.1178.5-175.562.5000111.1F38 L44 A46 I77 F78F38-L42 HydrophobicContact CE2-CD2 4.18Å; F38-L42 HydrophobicContact CZ-CD2 3.96Å; F38-L42 WeakPolarHBondContact O-CB 3.35Å; F38-L42 PolarHBondContact O-N 2.84Å; L42-L44 PolarHBondContact O-N 3.17Å; L42-A46 WeakPolarHBondContact O-CB 3.42Å; L42-A46 PolarHBondContact O-N 3.47Å; L42-I77 HydrophobicContact CB-CG2 3.97Å; L42-I77 HydrophobicContact CD1-CG2 4.28Å; L42-F78 HydrophobicContact CD1-CE1 4.11Å; L42-F78 HydrophobicContact CD1-CZ 4.21Å
43A96.4Very high95.8Very high56 Ų5646.3 Ų46.346%0.46327%0.271SS..Hα-helixtrans-60.2-46.3179.200000112.1V39 I40 T47V39-A43 WeakPolarHBondContact O-CB 3.42Å; V39-A43 PolarHBondContact O-N 3.26Å; I40-A43 PolarHBondContact O-N 3.03Å; A43-T47 WeakPolarHBondContact O-CB 3.46Å; A43-T47 PolarHBondContact O-N 2.96Å; A43-T47 VanDerWaalsContact O-N 3.1Å; A43-T47 PolarHBondContact O-OG1 3.3Å
44L95.6Very high95.6Very high34 Ų3452.3 Ų52.318%0.17829%0.294CS..Hα-helixtrans-66.5-48.8-179.7-72.1169.1000112.5I40 G41 L42 T47 A48 C311 P314 I315 F318I40-L44 HydrophobicContact CG2-CD1 3.55Å; I40-L44 HydrophobicContact CG2-CG 4.31Å; I40-L44 WeakPolarHBondContact O-CB 3.33Å; I40-L44 WeakPolarHBondContact O-CD1 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.32Å; I40-L44 PolarHBondContact O-N 2.93Å; G41-L44 PolarHBondContact O-N 2.83Å; L42-L44 PolarHBondContact O-N 3.17Å; L44-T47 PolarHBondContact O-N 3.48Å; L44-A48 WeakPolarHBondContact O-CB 3.33Å; L44-A48 PolarHBondContact O-N 3.09Å; L44-C311 HydrophobicContact CD1-CB 4.33Å; L44-P314 HydrophobicContact CB-CB 3.77Å; L44-P314 HydrophobicContact CB-CG 4.07Å; L44-P314 HydrophobicContact CD1-CB 4.35Å; L44-P314 HydrophobicContact CD2-CB 4.41Å; L44-P314 HydrophobicContact CG-CB 4.42Å; L44-I315 HydrophobicContact CD1-CD1 3.86Å; L44-I315 HydrophobicContact CD1-CG1 3.55Å; L44-I315 HydrophobicContact CD2-CG1 4.12Å; L44-F318 HydrophobicContact CD2-CD2 4.48Å
45N96.1Very high95.2Very high1 Ų161.1 Ų61.11%0.00533%0.327CS..Hα-helixtrans-71.8-38.8-177.2-73.5-74.4000111.6G41 T47 A48 L49 T70 I77 S310G41-N45 VanDerWaalsContact O-CB 3.29Å; G41-N45 WeakPolarHBondContact O-CB 3.44Å; G41-N45 PolarHBondContact O-N 3.21Å; G41-N45 PolarHBondContact O-ND2 3.28Å; N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 2.88Å; N45-A48 PolarHBondContact O-N 3.37Å; N45-L49 WeakPolarHBondContact O-CB 3.49Å; N45-L49 WeakPolarHBondContact O-CG 3.34Å; N45-L49 PolarHBondContact O-N 3Å; N45-T70 HydrophobicContact CB-CG2 3.99Å; N45-T70 WeakPolarHBondContact OD1-CG2 3.15Å; N45-I77 HydrophobicContact CB-CD1 4.45Å; N45-I77 WeakPolarHBondContact ND2-CD1 3.44Å; N45-S310 PolarHBondContact ND2-O 3.39Å
46A95.5Very high94.6Very high48 Ų4861.5 Ų61.540%0.39733%0.325SS..Hα-helixtrans-60.5-43.4172.900000111.4L42 L49 F50L42-A46 WeakPolarHBondContact O-CB 3.42Å; L42-A46 PolarHBondContact O-N 3.47Å; A46-L49 PolarHBondContact O-N 2.9Å; A46-F50 WeakPolarHBondContact O-CB 3.2Å; A46-F50 PolarHBondContact O-N 2.89Å
47T94Very high94.1Very high75 Ų7566.6 Ų66.646%0.4634%0.344SS..Hα-helixtrans-62.2-44.6174.8-58.80000111.4A43 L44 N45 F50 V51 F318A43-T47 WeakPolarHBondContact O-CB 3.46Å; A43-T47 PolarHBondContact O-N 2.96Å; A43-T47 VanDerWaalsContact O-N 3.1Å; A43-T47 PolarHBondContact O-OG1 3.3Å; L44-T47 PolarHBondContact O-N 3.48Å; N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 2.88Å; T47-F50 PolarHBondContact O-N 3.33Å; T47-V51 WeakPolarHBondContact O-CG2 3.43Å; T47-V51 PolarHBondContact O-N 2.85Å; T47-F318 HydrophobicContact CG2-CZ 4.21Å
48A92.6Very high93.6Very high7 Ų776.6 Ų76.66%0.05838%0.38CS..Hα-helixtrans-61.4-48.4178.100000111.6L44 N45 F50 V51 M52 T70 F318L44-A48 WeakPolarHBondContact O-CB 3.33Å; L44-A48 PolarHBondContact O-N 3.09Å; N45-A48 PolarHBondContact O-N 3.37Å; A48-F50 PolarHBondContact O-N 3.32Å; A48-V51 PolarHBondContact O-N 3.47Å; A48-M52 HydrophobicContact CB-CE 4.28Å; A48-M52 WeakPolarHBondContact O-CB 3.38Å; A48-M52 VanDerWaalsContact O-CG 3.27Å; A48-M52 WeakPolarHBondContact O-CG 3.17Å; A48-M52 PolarHBondContact O-N 3.08Å; A48-T70 HydrophobicContact CB-CG2 4.18Å; A48-F318 HydrophobicContact CB-CE2 4.38Å; A48-F318 HydrophobicContact CB-CZ 4.27Å
49L94.3Very high93.1Very high32 Ų3278.5 Ų78.517%0.16839%0.386CS..Hα-helixtrans-58.4-47175.4-72.6174.9000111.3N45 A46 V51 M52 V53 F67 T70 M71 T74N45-L49 WeakPolarHBondContact O-CB 3.49Å; N45-L49 WeakPolarHBondContact O-CG 3.34Å; N45-L49 PolarHBondContact O-N 3Å; A46-L49 PolarHBondContact O-N 2.9Å; L49-V51 VanDerWaalsContact C-N 3.33Å; L49-V51 PolarHBondContact O-N 2.79Å; L49-M52 PolarHBondContact O-N 3.45Å; L49-V53 WeakPolarHBondContact O-CB 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.5Å; L49-V53 PolarHBondContact O-N 2.85Å; L49-F67 HydrophobicContact CD2-CD2 3.91Å; L49-F67 HydrophobicContact CD2-CE2 3.65Å; L49-F67 HydrophobicContact CD2-CZ 4.49Å; L49-T70 HydrophobicContact CD1-CG2 4.26Å; L49-T70 HydrophobicContact CD2-CG2 3.58Å; L49-T70 HydrophobicContact CG-CG2 3.5Å; L49-T70 VanDerWaalsContact CG-CG2 3.5Å; L49-M71 HydrophobicContact CD2-SD 4.03Å; L49-T74 HydrophobicContact CD1-CG2 4.18Å
50F93.8Very high92.7Very high112 Ų11280.6 Ų80.649%0.49139%0.387SS..Hα-helixtrans-57.2-46.5177.9176.8-96000111.8A46 T47 A48 F54 R55A46-F50 WeakPolarHBondContact O-CB 3.2Å; A46-F50 PolarHBondContact O-N 2.89Å; T47-F50 PolarHBondContact O-N 3.33Å; A48-F50 PolarHBondContact O-N 3.32Å; F50-F54 AromaticContact CD2-CD2 3.47Å; F50-F54 HydrophobicContact CD2-CD2 3.47Å; F50-F54 VanDerWaalsContact CD2-CD2 3.47Å; F50-F54 HydrophobicContact CD2-CE2 4.02Å; F50-F54 HydrophobicContact CD2-CG 4.33Å; F50-F54 HydrophobicContact CE2-CB 4.37Å; F50-F54 AromaticContact CE2-CD2 3.82Å; F50-F54 HydrophobicContact CE2-CD2 3.82Å; F50-F54 HydrophobicContact CE2-CE2 4.48Å; F50-F54 HydrophobicContact CE2-CG 4.28Å; F50-F54 HydrophobicContact CG-CD2 4.18Å; F50-F54 WeakPolarHBondContact O-CB 3.5Å; F50-F54 WeakPolarHBondContact O-CD2 3.27Å; F50-F54 PolarHBondContact O-N 3.38Å; F50-R55 HydrophobicContact CE1-CG 4.22Å
51V91.1Very high92.3Very high57 Ų5777.6 Ų77.635%0.34537%0.373SS..Iπ-helixtrans-66.5-40.4178.1172.60000111.8T47 A48 L49 R55 T56T47-V51 WeakPolarHBondContact O-CG2 3.43Å; T47-V51 PolarHBondContact O-N 2.85Å; A48-V51 PolarHBondContact O-N 3.47Å; L49-V51 VanDerWaalsContact C-N 3.33Å; L49-V51 PolarHBondContact O-N 2.79Å; V51-R55 HydrophobicContact CG1-CB 4.3Å; V51-R55 CarbonylContact O-C 3.57Å; V51-R55 WeakPolarHBondContact O-CA 3.2Å; V51-R55 VanDerWaalsContact O-CB 3.32Å; V51-R55 WeakPolarHBondContact O-CB 3.45Å; V51-R55 PolarHBondContact O-N 2.82Å; V51-R55 VanDerWaalsContact O-N 3.1Å; V51-T56 PolarHBondContact O-N 3.35Å; V51-T56 PolarHBondContact O-OG1 3.19Å
52M90.8Very high91.8Very high23 Ų2378 Ų7811%0.11338%0.376CS..Iπ-helixtrans-68.5-44.4179.5-70.7-176.7-158.600112.2A48 L49 T56 W59 M66 F67A48-M52 HydrophobicContact CB-CE 4.28Å; A48-M52 WeakPolarHBondContact O-CB 3.38Å; A48-M52 VanDerWaalsContact O-CG 3.27Å; A48-M52 WeakPolarHBondContact O-CG 3.17Å; A48-M52 PolarHBondContact O-N 3.08Å; L49-M52 PolarHBondContact O-N 3.45Å; M52-T56 VanDerWaalsContact O-CB 3.29Å; M52-T56 WeakPolarHBondContact O-CB 3.25Å; M52-W59 PolarHBondContact O-NE1 3.11Å; M52-M66 HydrophobicContact CE-CB 3.84Å; M52-M66 HydrophobicContact SD-CB 4.48Å; M52-F67 HydrophobicContact CB-CD2 4.4Å; M52-F67 HydrophobicContact SD-CB 3.91Å; M52-F67 HydrophobicContact SD-CD2 4.29Å
53V93.6Very high91.5Very high73 Ų7376.3 Ų76.344%0.44237%0.368SS..Iπ-helixtrans-76.8-49.4-176.4175.60000111.3L49 F67L49-V53 WeakPolarHBondContact O-CB 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.5Å; L49-V53 PolarHBondContact O-N 2.85Å; V53-F67 HydrophobicContact CG2-CE2 3.91Å
54F92.9Very high91.5Very high150 Ų15074 Ų7466%0.65835%0.348SS*.Iπ-helixtrans-99.6-23.6-169.3-60.2-74.3000114.4F50F50-F54 AromaticContact CD2-CD2 3.47Å; F50-F54 HydrophobicContact CD2-CD2 3.47Å; F50-F54 VanDerWaalsContact CD2-CD2 3.47Å; F50-F54 HydrophobicContact CD2-CE2 4.02Å; F50-F54 HydrophobicContact CD2-CG 4.33Å; F50-F54 HydrophobicContact CE2-CB 4.37Å; F50-F54 AromaticContact CE2-CD2 3.82Å; F50-F54 HydrophobicContact CE2-CD2 3.82Å; F50-F54 HydrophobicContact CE2-CE2 4.48Å; F50-F54 HydrophobicContact CE2-CG 4.28Å; F50-F54 HydrophobicContact CG-CD2 4.18Å; F50-F54 WeakPolarHBondContact O-CB 3.5Å; F50-F54 WeakPolarHBondContact O-CD2 3.27Å; F50-F54 PolarHBondContact O-N 3.38Å
55R90.1Very high91.4Very high187 Ų18773.4 Ų73.471%0.70634%0.343SS*.Iπ-helixtrans-107.3-17.2-174.9-51-67.5-81.6164.7-8.2113.3F50 V51 K57F50-R55 HydrophobicContact CE1-CG 4.22Å; V51-R55 HydrophobicContact CG1-CB 4.3Å; V51-R55 CarbonylContact O-C 3.57Å; V51-R55 WeakPolarHBondContact O-CA 3.2Å; V51-R55 VanDerWaalsContact O-CB 3.32Å; V51-R55 WeakPolarHBondContact O-CB 3.45Å; V51-R55 PolarHBondContact O-N 2.82Å; V51-R55 VanDerWaalsContact O-N 3.1Å; R55-K57 PolarHBondContact O-N 2.96Å
56T86.9Confident91.3Very high43 Ų4375.3 Ų75.326%0.26435%0.352SS..  trans-95.898.1-177.4-54.80000111.6V51 M52 R58 W59 T63V51-T56 PolarHBondContact O-N 3.35Å; V51-T56 PolarHBondContact O-OG1 3.19Å; M52-T56 VanDerWaalsContact O-CB 3.29Å; M52-T56 WeakPolarHBondContact O-CB 3.25Å; T56-R58 PolarHBondContact O-N 3Å; T56-W59 PolarHBondContact O-NE1 3.12Å; T56-T63 HydrophobicContact CG2-CG2 4.25Å
57K86Confident91.3Very high208 Ų20875.2 Ų75.290%0.90434%0.343SS*.SBendtrans-66.1-29.9-178.3-63.8-171.4177.8-172.70114.9R55R55-K57 PolarHBondContact O-N 2.96Å
58R87.5Confident91.4Very high218 Ų21872.7 Ų72.782%0.82333%0.327SS*.SBendtrans-132.6115.4-176.7-68.6-171.4-178.1167.91.5111T56 K60T56-R58 PolarHBondContact O-N 3Å; R58-K60 PolarHBondContact O-N 3.17Å
59W88.8Confident91.6Very high96 Ų9672.5 Ų72.536%0.36433%0.325SS..  trans-84.7114-178.3-75.544000110.7M52 T56 T63 I64 F67M52-W59 PolarHBondContact O-NE1 3.11Å; T56-W59 PolarHBondContact O-NE1 3.12Å; W59-T63 HydrophobicContact CD2-CG2 4.26Å; W59-T63 HydrophobicContact CG-CG2 4.37Å; W59-I64 HydrophobicContact CB-CG1 4.44Å; W59-I64 HydrophobicContact CE3-CG1 3.92Å; W59-F67 HydrophobicContact CH2-CB 4.09Å; W59-F67 HydrophobicContact CH2-CD1 4.05Å; W59-F67 AromaticContact CH2-CD2 3.49Å; W59-F67 HydrophobicContact CH2-CD2 3.49Å; W59-F67 VanDerWaalsContact CH2-CD2 3.49Å; W59-F67 HydrophobicContact CH2-CE1 4.38Å; W59-F67 AromaticContact CH2-CE2 3.86Å; W59-F67 HydrophobicContact CH2-CE2 3.86Å; W59-F67 AromaticContact CH2-CG 3.59Å; W59-F67 HydrophobicContact CH2-CG 3.59Å; W59-F67 HydrophobicContact CH2-CZ 4.29Å; W59-F67 HydrophobicContact CZ2-CD2 4.39Å; W59-F67 HydrophobicContact CZ3-CB 3.86Å; W59-F67 AromaticContact CZ3-CD1 3.98Å; W59-F67 HydrophobicContact CZ3-CD1 3.98Å; W59-F67 HydrophobicContact CZ3-CD2 4.11Å; W59-F67 AromaticContact CZ3-CG 3.7Å; W59-F67 HydrophobicContact CZ3-CG 3.7Å
60K89.1Confident91.7Very high139 Ų13971.4 Ų71.460%0.60432%0.32SS*.  trans-88.7160.4173-63.3-178.1-178.1-178.10109.6R58 S62 T63 I64R58-K60 PolarHBondContact O-N 3.17Å; K60-S62 PolarHBondContact O-N 2.94Å; K60-S62 VanDerWaalsContact O-N 3.15Å; K60-T63 WeakPolarHBondContact O-CA 3.48Å; K60-T63 WeakPolarHBondContact O-CB 3.4Å; K60-T63 PolarHBondContact O-N 3.21Å; K60-I64 PolarHBondContact O-N 3.48Å; K60-I64 VanDerWaalsContact O-N 3.08Å
61P90.1Very high91.9Very high16 Ų1668.7 Ų68.710%0.10431%0.309CS..Hα-helixtrans-46.4-45.1175-34.340.1000114.3T63 I64 Y65 V139 A144P61-T63 VanDerWaalsContact C-N 3.32Å; P61-T63 PolarHBondContact O-N 3.43Å; P61-I64 WeakPolarHBondContact O-CB 3.35Å; P61-I64 PolarHBondContact O-N 3.42Å; P61-Y65 WeakPolarHBondContact O-CD2 3.46Å; P61-Y65 PolarHBondContact O-N 2.91Å; P61-Y65 VanDerWaalsContact O-N 3.11Å; P61-V139 HydrophobicContact CB-CG1 4.12Å; P61-V139 HydrophobicContact CG-CG1 3.8Å; P61-A144 HydrophobicContact CB-CB 3.75Å; P61-A144 HydrophobicContact CG-CB 4.35Å
62S86.4Confident92.2Very high9 Ų966.1 Ų66.16%0.06329%0.294CS..Hα-helixtrans-64.8-33.8176.760.70000113.9K60 I64 M66 R125K60-S62 PolarHBondContact O-N 2.94Å; K60-S62 VanDerWaalsContact O-N 3.15Å; S62-I64 VanDerWaalsContact C-N 3.33Å; S62-M66 WeakPolarHBondContact O-CB 3.3Å; S62-M66 WeakPolarHBondContact O-CE 3.12Å; S62-M66 VanDerWaalsContact O-CG 3.22Å; S62-M66 WeakPolarHBondContact O-CG 3.12Å; S62-M66 PolarHBondContact O-N 2.85Å; S62-R125 PolarHBondContact OG-NH2 3.3Å; S62-R125 VanDerWaalsContact OG-NH2 3.12Å
63T90.4Very high92.5Very high18 Ų1865.1 Ų65.111%0.1129%0.289CS..Hα-helixtrans-67.1-37.7175.4-54.20000110.7T56 W59 K60 P61 M66 F67T56-T63 HydrophobicContact CG2-CG2 4.25Å; W59-T63 HydrophobicContact CD2-CG2 4.26Å; W59-T63 HydrophobicContact CG-CG2 4.37Å; K60-T63 WeakPolarHBondContact O-CA 3.48Å; K60-T63 WeakPolarHBondContact O-CB 3.4Å; K60-T63 PolarHBondContact O-N 3.21Å; P61-T63 VanDerWaalsContact C-N 3.32Å; P61-T63 PolarHBondContact O-N 3.43Å; T63-M66 PolarHBondContact O-N 3.41Å; T63-F67 WeakPolarHBondContact O-CB 3.27Å; T63-F67 PolarHBondContact O-N 3.25Å
64I95.3Very high92.7Very high8 Ų862.2 Ų62.24%0.04127%0.271CS..Hα-helixtrans-63-48.3176.6-66.5157.1000110.6W59 K60 P61 S62 F67 N68 A141 A144 R145W59-I64 HydrophobicContact CB-CG1 4.44Å; W59-I64 HydrophobicContact CE3-CG1 3.92Å; K60-I64 PolarHBondContact O-N 3.48Å; K60-I64 VanDerWaalsContact O-N 3.08Å; P61-I64 WeakPolarHBondContact O-CB 3.35Å; P61-I64 PolarHBondContact O-N 3.42Å; S62-I64 VanDerWaalsContact C-N 3.33Å; I64-F67 PolarHBondContact O-N 2.86Å; I64-N68 PolarHBondContact O-N 3.29Å; I64-N68 VanDerWaalsContact O-N 3.09Å; I64-N68 PolarHBondContact O-ND2 3.46Å; I64-A141 HydrophobicContact CD1-CB 3.8Å; I64-A141 VanDerWaalsContact CD1-O 3.29Å; I64-A141 WeakPolarHBondContact CD1-O 3.23Å; I64-A144 HydrophobicContact CB-CB 4.32Å; I64-A144 HydrophobicContact CD1-CB 3.96Å; I64-A144 HydrophobicContact CG2-CB 4.33Å; I64-R145 HydrophobicContact CD1-CG 3.99Å; I64-R145 HydrophobicContact CG1-CG 4.45Å; I64-R145 HydrophobicContact CG2-CG 4.11Å
65Y94.9Very high92.9Very high21 Ų2158.4 Ų58.48%0.08226%0.257CS..Hα-helixtrans-65.2-41.2177.8-61-42.6000112.6P61 F67 N68 L69 F117 C120 I121 H124 A144 V147 S148P61-Y65 WeakPolarHBondContact O-CD2 3.46Å; P61-Y65 PolarHBondContact O-N 2.91Å; P61-Y65 VanDerWaalsContact O-N 3.11Å; Y65-F67 VanDerWaalsContact C-N 3.33Å; Y65-F67 PolarHBondContact O-N 3.3Å; Y65-N68 PolarHBondContact O-N 2.9Å; Y65-L69 WeakPolarHBondContact O-CB 3.49Å; Y65-L69 PolarHBondContact O-N 2.94Å; Y65-F117 HydrophobicContact CD1-CD1 4.18Å; Y65-F117 HydrophobicContact CD1-CE1 4.41Å; Y65-C120 HydrophobicContact CD1-CB 4Å; Y65-C120 HydrophobicContact CD2-CB 4.11Å; Y65-C120 HydrophobicContact CE1-CB 3.96Å; Y65-C120 HydrophobicContact CE2-CB 4.05Å; Y65-C120 HydrophobicContact CG-CB 4.09Å; Y65-I121 VanDerWaalsContact CB-CG1 3.47Å; Y65-I121 HydrophobicContact CD2-CG1 4.24Å; Y65-I121 HydrophobicContact CG-CG1 4.25Å; Y65-H124 HydrophobicContact CE2-CB 4.13Å; Y65-A144 HydrophobicContact CE1-CB 4.05Å; Y65-A144 WeakPolarHBondContact CE1-O 3.26Å; Y65-A144 HydrophobicContact CE2-CB 4.32Å; Y65-V147 HydrophobicContact CE1-CB 4.22Å; Y65-V147 HydrophobicContact CE1-CG1 3.99Å; Y65-S148 WeakPolarHBondContact CD1-OG 3.27Å
66M92.9Very high93.3Very high41 Ų4149.6 Ų49.620%0.20222%0.224CC..Hα-helixtrans-62.4-40174.9-72.4-178-53.200111.9M52 S62 T63 N68 L69 T70 I121 Y317M52-M66 HydrophobicContact CE-CB 3.84Å; M52-M66 HydrophobicContact SD-CB 4.48Å; S62-M66 WeakPolarHBondContact O-CB 3.3Å; S62-M66 WeakPolarHBondContact O-CE 3.12Å; S62-M66 VanDerWaalsContact O-CG 3.22Å; S62-M66 WeakPolarHBondContact O-CG 3.12Å; S62-M66 PolarHBondContact O-N 2.85Å; T63-M66 PolarHBondContact O-N 3.41Å; M66-N68 PolarHBondContact O-N 3.43Å; M66-L69 WeakPolarHBondContact O-CB 2.98Å; M66-L69 PolarHBondContact O-N 2.98Å; M66-T70 WeakPolarHBondContact O-CB 3.36Å; M66-T70 PolarHBondContact O-N 3.32Å; M66-T70 PolarHBondContact O-OG1 3.45Å; M66-I121 HydrophobicContact CG-CD1 4.15Å; M66-Y317 HydrophobicContact SD-CD1 4.09Å; M66-Y317 HydrophobicContact SD-CE1 4.07Å
67F95.5Very high93.9Very high47 Ų4747.5 Ų47.521%0.20621%0.211CC..Hα-helixtrans-60.9-45.2176177-95.4000111.6L49 M52 V53 W59 T63 I64 Y65 T70 M71L49-F67 HydrophobicContact CD2-CD2 3.91Å; L49-F67 HydrophobicContact CD2-CE2 3.65Å; L49-F67 HydrophobicContact CD2-CZ 4.49Å; M52-F67 HydrophobicContact CB-CD2 4.4Å; M52-F67 HydrophobicContact SD-CB 3.91Å; M52-F67 HydrophobicContact SD-CD2 4.29Å; V53-F67 HydrophobicContact CG2-CE2 3.91Å; W59-F67 HydrophobicContact CH2-CB 4.09Å; W59-F67 HydrophobicContact CH2-CD1 4.05Å; W59-F67 AromaticContact CH2-CD2 3.49Å; W59-F67 HydrophobicContact CH2-CD2 3.49Å; W59-F67 VanDerWaalsContact CH2-CD2 3.49Å; W59-F67 HydrophobicContact CH2-CE1 4.38Å; W59-F67 AromaticContact CH2-CE2 3.86Å; W59-F67 HydrophobicContact CH2-CE2 3.86Å; W59-F67 AromaticContact CH2-CG 3.59Å; W59-F67 HydrophobicContact CH2-CG 3.59Å; W59-F67 HydrophobicContact CH2-CZ 4.29Å; W59-F67 HydrophobicContact CZ2-CD2 4.39Å; W59-F67 HydrophobicContact CZ3-CB 3.86Å; W59-F67 AromaticContact CZ3-CD1 3.98Å; W59-F67 HydrophobicContact CZ3-CD1 3.98Å; W59-F67 HydrophobicContact CZ3-CD2 4.11Å; W59-F67 AromaticContact CZ3-CG 3.7Å; W59-F67 HydrophobicContact CZ3-CG 3.7Å; T63-F67 WeakPolarHBondContact O-CB 3.27Å; T63-F67 PolarHBondContact O-N 3.25Å; I64-F67 PolarHBondContact O-N 2.86Å; Y65-F67 VanDerWaalsContact C-N 3.33Å; Y65-F67 PolarHBondContact O-N 3.3Å; F67-T70 PolarHBondContact O-N 2.87Å; F67-M71 HydrophobicContact CD1-CG 4.14Å; F67-M71 HydrophobicContact CE1-CG 3.71Å; F67-M71 HydrophobicContact CE1-SD 4.36Å; F67-M71 HydrophobicContact CZ-CG 3.93Å; F67-M71 HydrophobicContact CZ-SD 4Å; F67-M71 WeakPolarHBondContact O-CG 3.34Å; F67-M71 PolarHBondContact O-N 3.38Å
68N97.6Very high94.4Very high22 Ų2243.3 Ų43.312%0.11819%0.193CC..Hα-helixtrans-67-38.2178.1-74-85.2000112.5I64 Y65 M66 M71 C72 F117 S148 W152I64-N68 PolarHBondContact O-N 3.29Å; I64-N68 VanDerWaalsContact O-N 3.09Å; I64-N68 PolarHBondContact O-ND2 3.46Å; Y65-N68 PolarHBondContact O-N 2.9Å; M66-N68 PolarHBondContact O-N 3.43Å; N68-M71 WeakPolarHBondContact O-CB 3.46Å; N68-M71 PolarHBondContact O-N 3.18Å; N68-C72 PolarHBondContact O-N 3.22Å; N68-C72 PolarHBondContact O-SG 3.19Å; N68-C72 VanDerWaalsContact O-SG 3.39Å; N68-F117 HydrophobicContact CB-CD1 3.92Å; N68-F117 HydrophobicContact CB-CD2 4.05Å; N68-F117 HydrophobicContact CB-CE1 3.44Å; N68-F117 VanDerWaalsContact CB-CE1 3.44Å; N68-F117 HydrophobicContact CB-CE2 3.59Å; N68-F117 HydrophobicContact CB-CG 4.23Å; N68-F117 HydrophobicContact CB-CZ 3.28Å; N68-S148 PolarHBondContact ND2-OG 2.7Å; N68-W152 PolarHBondContact OD1-NE1 3.2Å
69L96.1Very high94.9Very high3 Ų333.3 Ų33.32%0.01616%0.156CC..Hα-helixtrans-57.6-49.8171.5-179.164.8000111Y65 M66 M71 C72 D73 S114 F117 L118 I121 D313 Y317Y65-L69 WeakPolarHBondContact O-CB 3.49Å; Y65-L69 PolarHBondContact O-N 2.94Å; M66-L69 WeakPolarHBondContact O-CB 2.98Å; M66-L69 PolarHBondContact O-N 2.98Å; L69-M71 VanDerWaalsContact C-N 3.26Å; L69-M71 PolarHBondContact O-N 2.87Å; L69-C72 WeakPolarHBondContact O-CB 3.06Å; L69-C72 PolarHBondContact O-N 2.98Å; L69-C72 VanDerWaalsContact O-N 3.1Å; L69-D73 PolarHBondContact O-N 3.18Å; L69-S114 VanDerWaalsContact CD1-CA 3.44Å; L69-S114 WeakPolarHBondContact CD1-OG 3.34Å; L69-F117 HydrophobicContact CB-CB 4.17Å; L69-F117 HydrophobicContact CD1-CB 4.28Å; L69-L118 HydrophobicContact CD1-CG 4.35Å; L69-L118 HydrophobicContact CD2-CD2 3.82Å; L69-L118 HydrophobicContact CD2-CG 4.32Å; L69-I121 HydrophobicContact CD2-CD1 4.28Å; L69-D313 HydrophobicContact CD2-CB 4.29Å; L69-Y317 HydrophobicContact CD2-CE2 4.08Å
70T96.3Very high95.4Very high9 Ų928.7 Ų28.76%0.05514%0.139CC..Hα-helixtrans-61.1-32.9175.6-58.10000112.5N45 A48 L49 M66 F67 D73 T74N45-T70 HydrophobicContact CB-CG2 3.99Å; N45-T70 WeakPolarHBondContact OD1-CG2 3.15Å; A48-T70 HydrophobicContact CB-CG2 4.18Å; L49-T70 HydrophobicContact CD1-CG2 4.26Å; L49-T70 HydrophobicContact CD2-CG2 3.58Å; L49-T70 HydrophobicContact CG-CG2 3.5Å; L49-T70 VanDerWaalsContact CG-CG2 3.5Å; M66-T70 WeakPolarHBondContact O-CB 3.36Å; M66-T70 PolarHBondContact O-N 3.32Å; M66-T70 PolarHBondContact O-OG1 3.45Å; F67-T70 PolarHBondContact O-N 2.87Å; T70-D73 PolarHBondContact O-N 3.25Å; T70-T74 VanDerWaalsContact O-CB 3.28Å; T70-T74 WeakPolarHBondContact O-CB 3.28Å; T70-T74 PolarHBondContact O-N 3.34Å; T70-T74 PolarHBondContact O-OG1 2.8Å
71M97.6Very high95.8Very high55 Ų5524.7 Ų24.727%0.27113%0.127SC..Hα-helixtrans-67.6-44.2172.6-73.4-57.9-52.200112L49 F67 N68 L69 D73 T74 L75 W152L49-M71 HydrophobicContact CD2-SD 4.03Å; F67-M71 HydrophobicContact CD1-CG 4.14Å; F67-M71 HydrophobicContact CE1-CG 3.71Å; F67-M71 HydrophobicContact CE1-SD 4.36Å; F67-M71 HydrophobicContact CZ-CG 3.93Å; F67-M71 HydrophobicContact CZ-SD 4Å; F67-M71 WeakPolarHBondContact O-CG 3.34Å; F67-M71 PolarHBondContact O-N 3.38Å; N68-M71 WeakPolarHBondContact O-CB 3.46Å; N68-M71 PolarHBondContact O-N 3.18Å; L69-M71 VanDerWaalsContact C-N 3.26Å; L69-M71 PolarHBondContact O-N 2.87Å; M71-D73 VanDerWaalsContact C-N 3.29Å; M71-D73 PolarHBondContact O-N 3.37Å; M71-T74 PolarHBondContact O-N 3.06Å; M71-L75 HydrophobicContact CE-CG 4.46Å; M71-L75 WeakPolarHBondContact O-CB 3.45Å; M71-L75 VanDerWaalsContact O-CG 3.24Å; M71-L75 WeakPolarHBondContact O-CG 3.47Å; M71-L75 PolarHBondContact O-N 3.33Å; M71-W152 HydrophobicContact CB-CZ2 4.32Å
72C97.6Very high96.1Very high3 Ų327.5 Ų27.52%0.0214%0.138CC..Hα-helixtrans-54.3-48.1172.6-67.90000110.7N68 L69 Y76 N110 W152N68-C72 PolarHBondContact O-N 3.22Å; N68-C72 PolarHBondContact O-SG 3.19Å; N68-C72 VanDerWaalsContact O-SG 3.39Å; L69-C72 WeakPolarHBondContact O-CB 3.06Å; L69-C72 PolarHBondContact O-N 2.98Å; L69-C72 VanDerWaalsContact O-N 3.1Å; C72-Y76 PolarHBondContact O-N 3.13Å; C72-N110 PolarHBondContact O-ND2 2.72Å; C72-W152 HydrophobicContact CB-CH2 4.46Å; C72-W152 WeakPolarHBondContact SG-CH2 3.19Å; C72-W152 VanDerWaalsContact SG-CZ2 3.5Å
73D97.6Very high96.6Very high1 Ų127.3 Ų27.31%0.00514%0.136CC..Hα-helixtrans-63.2-49.3180-69.9-33.9000112.2L69 T70 M71 L75 Y76 I77 N110 S310L69-D73 PolarHBondContact O-N 3.18Å; T70-D73 PolarHBondContact O-N 3.25Å; M71-D73 VanDerWaalsContact C-N 3.29Å; M71-D73 PolarHBondContact O-N 3.37Å; D73-L75 PolarHBondContact O-N 3.41Å; D73-Y76 PolarHBondContact O-N 3.42Å; D73-I77 HydrophobicContact CB-CD1 4.45Å; D73-I77 WeakPolarHBondContact O-CB 3.27Å; D73-I77 WeakPolarHBondContact O-CD1 3.43Å; D73-I77 VanDerWaalsContact O-CG1 3.22Å; D73-I77 WeakPolarHBondContact O-CG1 3.48Å; D73-I77 PolarHBondContact O-N 2.82Å; D73-N110 WeakPolarHBondContact CA-ND2 3.36Å; D73-N110 PolarHBondContact N-ND2 3.03Å; D73-N110 PolarHBondContact OD1-ND2 3.09Å; D73-S310 WeakPolarHBondContact OD1-CA 3.35Å; D73-S310 WeakPolarHBondContact OD1-CB 3.34Å; D73-S310 PolarHBondContact OD1-OG 3.14Å
74T97.6Very high96.9Very high12 Ų1228.2 Ų28.27%0.07414%0.14CC..Hα-helixtrans-62.5-43.5-177.4-57.90000111.9L49 T70 M71 Y76 I77 F78L49-T74 HydrophobicContact CD1-CG2 4.18Å; T70-T74 VanDerWaalsContact O-CB 3.28Å; T70-T74 WeakPolarHBondContact O-CB 3.28Å; T70-T74 PolarHBondContact O-N 3.34Å; T70-T74 PolarHBondContact O-OG1 2.8Å; M71-T74 PolarHBondContact O-N 3.06Å; T74-Y76 VanDerWaalsContact C-N 3.32Å; T74-Y76 PolarHBondContact O-N 3.41Å; T74-I77 PolarHBondContact O-N 3.21Å; T74-F78 HydrophobicContact CG2-CD2 3.96Å; T74-F78 HydrophobicContact CG2-CE2 3.45Å; T74-F78 VanDerWaalsContact CG2-CE2 3.45Å; T74-F78 HydrophobicContact CG2-CZ 4.26Å; T74-F78 WeakPolarHBondContact O-CD2 3.24Å; T74-F78 PolarHBondContact O-N 3.44Å
75L97.9Very high97Very high71 Ų7132.5 Ų32.537%0.37216%0.158SC..Hα-helixtrans-61.2-40.7178.4-72.3171.2000111.9M71 D73 L106 W152M71-L75 HydrophobicContact CE-CG 4.46Å; M71-L75 WeakPolarHBondContact O-CB 3.45Å; M71-L75 VanDerWaalsContact O-CG 3.24Å; M71-L75 WeakPolarHBondContact O-CG 3.47Å; M71-L75 PolarHBondContact O-N 3.33Å; D73-L75 PolarHBondContact O-N 3.41Å; L75-L106 HydrophobicContact CB-CD2 4.49Å; L75-W152 HydrophobicContact CD1-CH2 4.11Å
76Y98.1Very high97Very high1 Ų131.7 Ų31.70%0.00416%0.155CC..Hα-helixtrans-72.1-41.4176.1169.8-116.9000112.6C72 D73 T74 F78 T79 L80 F107 N110 S307C72-Y76 PolarHBondContact O-N 3.13Å; D73-Y76 PolarHBondContact O-N 3.42Å; T74-Y76 VanDerWaalsContact C-N 3.32Å; T74-Y76 PolarHBondContact O-N 3.41Å; Y76-F78 PolarHBondContact O-N 2.91Å; Y76-T79 WeakPolarHBondContact CD2-OG1 3.22Å; Y76-T79 WeakPolarHBondContact O-CA 3.41Å; Y76-T79 WeakPolarHBondContact O-CB 3.32Å; Y76-T79 PolarHBondContact O-N 3.41Å; Y76-T79 PolarHBondContact O-OG1 2.78Å; Y76-L80 HydrophobicContact CE1-CD2 3.89Å; Y76-L80 HydrophobicContact CE1-CG 4.49Å; Y76-L80 HydrophobicContact CE2-CD2 4Å; Y76-L80 VanDerWaalsContact CZ-CD2 3.47Å; Y76-L80 VanDerWaalsContact OH-CD2 3.28Å; Y76-L80 WeakPolarHBondContact OH-CD2 3.42Å; Y76-F107 HydrophobicContact CD2-CB 4.16Å; Y76-F107 HydrophobicContact CD2-CD2 4.44Å; Y76-F107 HydrophobicContact CE2-CB 3.89Å; Y76-F107 AromaticContact CE2-CD2 3.68Å; Y76-F107 HydrophobicContact CE2-CD2 3.68Å; Y76-F107 HydrophobicContact CE2-CG 4.29Å; Y76-F107 AromaticContact CZ-CD2 3.75Å; Y76-N110 HydrophobicContact CD1-CB 4.47Å; Y76-N110 HydrophobicContact CG-CB 4Å; Y76-S307 WeakPolarHBondContact OH-CB 3.19Å; Y76-S307 PolarHBondContact OH-OG 3.46Å
77I98.3Very high97.1Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-54.5-39.9177.9-75.1161.1000111.3F38 G41 L42 N45 D73 T74 T79 L80F38-I77 HydrophobicContact CD2-CG2 3.79Å; F38-I77 WeakPolarHBondContact CD2-O 3.5Å; F38-I77 HydrophobicContact CE2-CG2 4.26Å; G41-I77 VanDerWaalsContact C-CD1 3.47Å; L42-I77 HydrophobicContact CB-CG2 3.97Å; L42-I77 HydrophobicContact CD1-CG2 4.28Å; N45-I77 HydrophobicContact CB-CD1 4.45Å; N45-I77 WeakPolarHBondContact ND2-CD1 3.44Å; D73-I77 HydrophobicContact CB-CD1 4.45Å; D73-I77 WeakPolarHBondContact O-CB 3.27Å; D73-I77 WeakPolarHBondContact O-CD1 3.43Å; D73-I77 VanDerWaalsContact O-CG1 3.22Å; D73-I77 WeakPolarHBondContact O-CG1 3.48Å; D73-I77 PolarHBondContact O-N 2.82Å; T74-I77 PolarHBondContact O-N 3.21Å; I77-T79 PolarHBondContact O-N 3.1Å; I77-T79 VanDerWaalsContact O-N 3.15Å; I77-L80 HydrophobicContact CG1-CD1 4.35Å; I77-L80 WeakPolarHBondContact O-CB 3.48Å; I77-L80 PolarHBondContact O-N 2.97Å
78F98Very high97.1Very high119 Ų11930.5 Ų30.552%0.52216%0.161SC..THydrogen-bonded Turntrans-64.2-16.9176.9-75.3-55.1000114.5L42 T74 Y76L42-F78 HydrophobicContact CD1-CE1 4.11Å; L42-F78 HydrophobicContact CD1-CZ 4.21Å; T74-F78 HydrophobicContact CG2-CD2 3.96Å; T74-F78 HydrophobicContact CG2-CE2 3.45Å; T74-F78 VanDerWaalsContact CG2-CE2 3.45Å; T74-F78 HydrophobicContact CG2-CZ 4.26Å; T74-F78 WeakPolarHBondContact O-CD2 3.24Å; T74-F78 PolarHBondContact O-N 3.44Å; Y76-F78 PolarHBondContact O-N 2.91Å
79T97.7Very high97Very high8 Ų832.9 Ų32.95%0.04917%0.173CC..THydrogen-bonded Turntrans-85.3-19.2174.372.30000113.7Y76 I77 P81 F82 I103 L106Y76-T79 WeakPolarHBondContact CD2-OG1 3.22Å; Y76-T79 WeakPolarHBondContact O-CA 3.41Å; Y76-T79 WeakPolarHBondContact O-CB 3.32Å; Y76-T79 PolarHBondContact O-N 3.41Å; Y76-T79 PolarHBondContact O-OG1 2.78Å; I77-T79 PolarHBondContact O-N 3.1Å; I77-T79 VanDerWaalsContact O-N 3.15Å; T79-P81 VanDerWaalsContact C-CD 3.46Å; T79-F82 WeakPolarHBondContact O-CB 3.39Å; T79-F82 PolarHBondContact O-N 3.01Å; T79-I103 HydrophobicContact CG2-CG1 4.14Å; T79-L106 HydrophobicContact CG2-CB 3.98Å; T79-L106 HydrophobicContact CG2-CD1 3.47Å; T79-L106 VanDerWaalsContact CG2-CD1 3.47Å; T79-L106 HydrophobicContact CG2-CG 4.38Å
80L97.9Very high96.8Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-59.4-38.4-174.5-65.3177.2000114.2Y34 V37 F38 Y76 I77 F82 L83 I84Y34-L80 HydrophobicContact CD1-CD2 4.04Å; Y34-L80 HydrophobicContact CG-CD2 4.12Å; V37-L80 HydrophobicContact CB-CD1 3.97Å; V37-L80 HydrophobicContact CG1-CD1 3.62Å; F38-L80 HydrophobicContact CB-CB 4.14Å; F38-L80 HydrophobicContact CB-CD1 3.99Å; F38-L80 HydrophobicContact CD2-CB 4.31Å; Y76-L80 HydrophobicContact CE1-CD2 3.89Å; Y76-L80 HydrophobicContact CE1-CG 4.49Å; Y76-L80 HydrophobicContact CE2-CD2 4Å; Y76-L80 VanDerWaalsContact CZ-CD2 3.47Å; Y76-L80 VanDerWaalsContact OH-CD2 3.28Å; Y76-L80 WeakPolarHBondContact OH-CD2 3.42Å; I77-L80 HydrophobicContact CG1-CD1 4.35Å; I77-L80 WeakPolarHBondContact O-CB 3.48Å; I77-L80 PolarHBondContact O-N 2.97Å; L80-F82 PolarHBondContact O-N 3.43Å; L80-L83 HydrophobicContact CD2-CD1 4.46Å; L80-L83 PolarHBondContact O-N 3.39Å; L80-I84 HydrophobicContact CB-CD1 4.4Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.34Å; L80-I84 PolarHBondContact O-N 3.42Å
81P97.9Very high96.6Very high54 Ų5439.5 Ų39.535%0.35120%0.204SC..Hα-helixtrans-54.6-38.1176.7-28.837.5000113.8F38 T79 I84 F85F38-P81 HydrophobicContact CD2-CG 3.97Å; F38-P81 HydrophobicContact CE2-CG 3.64Å; F38-P81 HydrophobicContact CZ-CG 4Å; T79-P81 VanDerWaalsContact C-CD 3.46Å; P81-I84 PolarHBondContact O-N 3.36Å; P81-F85 PolarHBondContact O-N 3.48Å
82F97.3Very high96.3Very high75 Ų7539.3 Ų39.333%0.32920%0.204SC..Hα-helixtrans-66.8-40.3177.5-61.6-93.7000111.8T79 L80 Y86 W93 F95 V99 I103T79-F82 WeakPolarHBondContact O-CB 3.39Å; T79-F82 PolarHBondContact O-N 3.01Å; L80-F82 PolarHBondContact O-N 3.43Å; F82-Y86 VanDerWaalsContact O-CB 3.3Å; F82-Y86 WeakPolarHBondContact O-CB 3.32Å; F82-Y86 PolarHBondContact O-N 3Å; F82-W93 HydrophobicContact CB-CH2 4.15Å; F82-F95 HydrophobicContact CB-CE2 4.22Å; F82-F95 HydrophobicContact CD1-CD1 4.05Å; F82-F95 AromaticContact CD1-CD2 3.96Å; F82-F95 HydrophobicContact CD1-CD2 3.96Å; F82-F95 AromaticContact CD1-CE1 3.74Å; F82-F95 HydrophobicContact CD1-CE1 3.74Å; F82-F95 AromaticContact CD1-CE2 3.65Å; F82-F95 HydrophobicContact CD1-CE2 3.65Å; F82-F95 HydrophobicContact CD1-CG 4.16Å; F82-F95 AromaticContact CD1-CZ 3.53Å; F82-F95 HydrophobicContact CD1-CZ 3.53Å; F82-F95 HydrophobicContact CE1-CD1 4.14Å; F82-F95 AromaticContact CE1-CE1 3.86Å; F82-F95 HydrophobicContact CE1-CE1 3.86Å; F82-F95 HydrophobicContact CE1-CZ 4.09Å; F82-F95 HydrophobicContact CG-CE2 4.41Å; F82-F95 HydrophobicContact CG-CZ 4.48Å; F82-V99 HydrophobicContact CD1-CG1 4.06Å; F82-V99 HydrophobicContact CE1-CG1 4.17Å; F82-I103 HydrophobicContact CB-CD1 3.45Å; F82-I103 VanDerWaalsContact CB-CD1 3.45Å; F82-I103 HydrophobicContact CD1-CD1 4.27Å; F82-I103 HydrophobicContact CD2-CD1 4.16Å; F82-I103 HydrophobicContact CG-CD1 3.72Å
83L95.9Very high96.2Very high5 Ų539.3 Ų39.33%0.02620%0.204CC..Hα-helixtrans-70.8-39.1176.5-66.4178.7000111.7Y34 L80 Y86 Y87 I103Y34-L83 HydrophobicContact CD2-CB 3.87Å; Y34-L83 HydrophobicContact CE2-CB 4.07Å; Y34-L83 HydrophobicContact CE2-CD1 4.2Å; L80-L83 HydrophobicContact CD2-CD1 4.46Å; L80-L83 PolarHBondContact O-N 3.39Å; L83-Y86 PolarHBondContact O-N 2.7Å; L83-Y87 HydrophobicContact CB-CD2 4.43Å; L83-Y87 HydrophobicContact CB-CE2 4.29Å; L83-Y87 HydrophobicContact CD2-CE2 4.24Å; L83-Y87 WeakPolarHBondContact O-CD2 3.35Å; L83-Y87 PolarHBondContact O-N 3.21Å; L83-I103 HydrophobicContact CD1-CG2 4.03Å; L83-I103 HydrophobicContact CD2-CG2 3.8Å; L83-I103 HydrophobicContact CG-CG2 3.85Å
84I97.4Very high96Very high37 Ų3742.5 Ų42.519%0.1923%0.225CC..Hα-helixtrans-58.3-50.8175.7-67.7161.3000109.5P31 A35 F38 L80 P81 A88P31-I84 HydrophobicContact CB-CG2 4.28Å; A35-I84 HydrophobicContact CB-CD1 4.01Å; F38-I84 HydrophobicContact CB-CD1 4.33Å; L80-I84 HydrophobicContact CB-CD1 4.4Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.34Å; L80-I84 PolarHBondContact O-N 3.42Å; P81-I84 PolarHBondContact O-N 3.36Å; I84-A88 WeakPolarHBondContact O-CB 3.49Å; I84-A88 PolarHBondContact O-N 3.23Å
85F96.6Very high95.9Very high98 Ų9845 Ų4543%0.4324%0.235SC..Hα-helixtrans-58.2-52.5176.9-175.1-83000111.1P81 Y87 A88 D89 P94 F95P81-F85 PolarHBondContact O-N 3.48Å; F85-Y87 PolarHBondContact O-N 3.35Å; F85-A88 PolarHBondContact O-N 3.42Å; F85-A88 VanDerWaalsContact O-N 3.1Å; F85-D89 HydrophobicContact CD1-CB 4.39Å; F85-D89 HydrophobicContact CE1-CB 3.97Å; F85-D89 HydrophobicContact CZ-CB 4.44Å; F85-D89 WeakPolarHBondContact O-CB 3.48Å; F85-D89 PolarHBondContact O-N 2.92Å; F85-P94 HydrophobicContact CD1-CG 3.8Å; F85-P94 HydrophobicContact CE1-CB 4.36Å; F85-P94 HydrophobicContact CE1-CG 3.5Å; F85-P94 VanDerWaalsContact CE1-CG 3.5Å; F85-P94 HydrophobicContact CZ-CG 4.44Å; F85-F95 HydrophobicContact CD1-CE2 4.41Å
86Y95.7Very high95.7Very high4 Ų444.5 Ų44.52%0.01624%0.237CC..Hα-helixtrans-55.3-44.7-177.8169.5-113.3000114.3F82 L83 N91 W93 I176 C177F82-Y86 VanDerWaalsContact O-CB 3.3Å; F82-Y86 WeakPolarHBondContact O-CB 3.32Å; F82-Y86 PolarHBondContact O-N 3Å; L83-Y86 PolarHBondContact O-N 2.7Å; Y86-N91 HydrophobicContact CE1-CB 4.4Å; Y86-N91 HydrophobicContact CE2-CB 3.78Å; Y86-N91 WeakPolarHBondContact CE2-O 3.38Å; Y86-N91 WeakPolarHBondContact O-CA 3.21Å; Y86-N91 PolarHBondContact O-N 3.41Å; Y86-W93 HydrophobicContact CD1-CE3 4.49Å; Y86-W93 HydrophobicContact CD2-CB 3.91Å; Y86-W93 HydrophobicContact CD2-CD2 4.39Å; Y86-W93 AromaticContact CD2-CE3 3.55Å; Y86-W93 HydrophobicContact CD2-CE3 3.55Å; Y86-W93 HydrophobicContact CD2-CZ3 4.43Å; Y86-W93 HydrophobicContact CE2-CB 3.87Å; Y86-W93 HydrophobicContact CE2-CE3 4.17Å; Y86-W93 AromaticContact CG-CE3 3.69Å; Y86-W93 HydrophobicContact CG-CE3 3.69Å; Y86-W93 HydrophobicContact CG-CZ3 4.13Å; Y86-I176 WeakPolarHBondContact OH-CG2 3.39Å; Y86-C177 HydrophobicContact CE2-CB 4.33Å; Y86-C177 PolarHBondContact OH-N 3.1Å; Y86-C177 PolarHBondContact OH-O 2.89Å; Y86-C177 VanDerWaalsContact OH-O 3.1Å
87Y95.3Very high95.6Very high0 Ų047.7 Ų47.70%025%0.252CS..Hα-helixtrans-80.9-23.1178.9-67.4-67.6000112.9F27 L30 Y34 L83 F85 D89 N91 D179 R303F27-Y87 WeakPolarHBondContact CA-O 3.32Å; F27-Y87 VanDerWaalsContact CD1-O 3.31Å; F27-Y87 WeakPolarHBondContact CD1-O 3.13Å; L30-Y87 HydrophobicContact CB-CD1 4.36Å; L30-Y87 HydrophobicContact CB-CD2 3.74Å; L30-Y87 HydrophobicContact CB-CE2 4.3Å; L30-Y87 HydrophobicContact CB-CG 3.82Å; L30-Y87 HydrophobicContact CD1-CD1 3.56Å; L30-Y87 HydrophobicContact CD1-CD2 3.93Å; L30-Y87 HydrophobicContact CD1-CE1 3.36Å; L30-Y87 HydrophobicContact CD1-CE2 3.83Å; L30-Y87 HydrophobicContact CD1-CG 3.84Å; L30-Y87 HydrophobicContact CG-CD2 4.49Å; L30-Y87 HydrophobicContact CG-CG 4.48Å; Y34-Y87 HydrophobicContact CD2-CD2 4.24Å; Y34-Y87 HydrophobicContact CD2-CE2 4.44Å; Y34-Y87 AromaticContact CE2-CD2 3.89Å; Y34-Y87 HydrophobicContact CE2-CD2 3.89Å; Y34-Y87 AromaticContact CE2-CE2 3.7Å; Y34-Y87 HydrophobicContact CE2-CE2 3.7Å; L83-Y87 HydrophobicContact CB-CD2 4.43Å; L83-Y87 HydrophobicContact CB-CE2 4.29Å; L83-Y87 HydrophobicContact CD2-CE2 4.24Å; L83-Y87 WeakPolarHBondContact O-CD2 3.35Å; L83-Y87 PolarHBondContact O-N 3.21Å; F85-Y87 PolarHBondContact O-N 3.35Å; Y87-D89 VanDerWaalsContact C-N 3.33Å; Y87-N91 WeakPolarHBondContact CD1-OD1 3.4Å; Y87-D179 PolarHBondContact OH-OD1 2.9Å; Y87-R303 PolarHBondContact OH-NH1 3.5Å; Y87-R303 PolarHBondContact OH-NH2 3.47Å
88A95.5Very high95.5Very high64 Ų6451.9 Ų51.953%0.52928%0.279SS..Hα-helixtrans-73.2-29.9172.300000111.6P31 I84 F85 E90P31-A88 HydrophobicContact CB-CB 4.42Å; P31-A88 HydrophobicContact CG-CB 4.17Å; I84-A88 WeakPolarHBondContact O-CB 3.49Å; I84-A88 PolarHBondContact O-N 3.23Å; F85-A88 PolarHBondContact O-N 3.42Å; F85-A88 VanDerWaalsContact O-N 3.1Å; A88-E90 VanDerWaalsContact C-N 3.26Å; A88-E90 PolarHBondContact O-N 3.1Å
89D94.4Very high95.5Very high72 Ų7248.2 Ų48.239%0.38527%0.266SS..THydrogen-bonded Turntrans-92.734.4176.5-15439.8000112F85 Y87 N91 D92F85-D89 HydrophobicContact CD1-CB 4.39Å; F85-D89 HydrophobicContact CE1-CB 3.97Å; F85-D89 HydrophobicContact CZ-CB 4.44Å; F85-D89 WeakPolarHBondContact O-CB 3.48Å; F85-D89 PolarHBondContact O-N 2.92Å; Y87-D89 VanDerWaalsContact C-N 3.33Å; D89-N91 VanDerWaalsContact C-N 3.26Å; D89-N91 PolarHBondContact O-N 3.29Å; D89-D92 PolarHBondContact O-N 2.91Å
90E92.2Very high95.4Very high134 Ų13447.8 Ų47.863%0.62626%0.264SS*.THydrogen-bonded Turntrans54.728.6172.4-60.5-173.7-16900117F27 A88F27-E90 HydrophobicContact CD1-CB 4.48Å; F27-E90 HydrophobicContact CD2-CG 4.18Å; F27-E90 HydrophobicContact CE1-CB 4.12Å; F27-E90 WeakPolarHBondContact CE1-O 3.18Å; F27-E90 HydrophobicContact CE2-CB 4.28Å; F27-E90 HydrophobicContact CE2-CG 4.27Å; F27-E90 HydrophobicContact CG-CG 4.31Å; F27-E90 HydrophobicContact CZ-CB 4Å; F27-E90 HydrophobicContact CZ-CG 4.45Å; F27-E90 WeakPolarHBondContact CZ-O 3.26Å; A88-E90 VanDerWaalsContact C-N 3.26Å; A88-E90 PolarHBondContact O-N 3.1Å
91N91.2Very high95.4Very high17 Ų1750.3 Ų50.39%0.09128%0.275CS..THydrogen-bonded Turntrans75.522.2-172.8-44.2-65.3000115.5K26 F27 Y86 Y87 D89K26-N91 VanDerWaalsContact CE-ND2 3.25Å; K26-N91 WeakPolarHBondContact CE-ND2 3.3Å; K26-N91 PolarHBondContact NZ-ND2 3.18Å; F27-N91 HydrophobicContact CE1-CB 4.49Å; F27-N91 WeakPolarHBondContact CE1-ND2 3.4Å; F27-N91 VanDerWaalsContact CZ-ND2 3.32Å; F27-N91 WeakPolarHBondContact CZ-ND2 3.46Å; Y86-N91 HydrophobicContact CE1-CB 4.4Å; Y86-N91 HydrophobicContact CE2-CB 3.78Å; Y86-N91 WeakPolarHBondContact CE2-O 3.38Å; Y86-N91 WeakPolarHBondContact O-CA 3.21Å; Y86-N91 PolarHBondContact O-N 3.41Å; Y87-N91 WeakPolarHBondContact CD1-OD1 3.4Å; D89-N91 VanDerWaalsContact C-N 3.26Å; D89-N91 PolarHBondContact O-N 3.29Å
92D92.9Very high95.4Very high51 Ų5152 Ų5227%0.27328%0.281SS..  trans-82.3118.8163.8-162.715.2000109.9D89 P94 E174 R175D89-D92 PolarHBondContact O-N 2.91Å; D92-P94 WeakPolarHBondContact O-CD 3.36Å; D92-E174 HydrophobicContact CB-CG 4.4Å; D92-E174 WeakPolarHBondContact OD1-CA 3.41Å; D92-R175 PolarHBondContact OD1-N 2.91Å
93W94.9Very high95.4Very high2 Ų248.7 Ų48.71%0.00827%0.266CS..  trans-96.397.4-176.4-177.9-100.5000108.9F82 Y86 F95 S96 V99 C100 I103 T168 R175 C177F82-W93 HydrophobicContact CB-CH2 4.15Å; Y86-W93 HydrophobicContact CD1-CE3 4.49Å; Y86-W93 HydrophobicContact CD2-CB 3.91Å; Y86-W93 HydrophobicContact CD2-CD2 4.39Å; Y86-W93 AromaticContact CD2-CE3 3.55Å; Y86-W93 HydrophobicContact CD2-CE3 3.55Å; Y86-W93 HydrophobicContact CD2-CZ3 4.43Å; Y86-W93 HydrophobicContact CE2-CB 3.87Å; Y86-W93 HydrophobicContact CE2-CE3 4.17Å; Y86-W93 AromaticContact CG-CE3 3.69Å; Y86-W93 HydrophobicContact CG-CE3 3.69Å; Y86-W93 HydrophobicContact CG-CZ3 4.13Å; W93-F95 HydrophobicContact CD2-CD2 4.14Å; W93-F95 AromaticContact CE2-CD2 3.92Å; W93-F95 HydrophobicContact CE3-CD2 4.16Å; W93-F95 AromaticContact CH2-CD2 3.66Å; W93-F95 HydrophobicContact CH2-CD2 3.66Å; W93-F95 HydrophobicContact CH2-CE2 4.38Å; W93-F95 HydrophobicContact CH2-CG 4.46Å; W93-F95 HydrophobicContact CZ2-CB 3.71Å; W93-F95 AromaticContact CZ2-CD2 3.7Å; W93-F95 HydrophobicContact CZ2-CD2 3.7Å; W93-F95 HydrophobicContact CZ2-CG 4.11Å; W93-F95 AromaticContact CZ3-CD2 3.94Å; W93-F95 HydrophobicContact CZ3-CD2 3.94Å; W93-F95 HydrophobicContact CZ3-CE2 4.44Å; W93-F95 PolarHBondContact NE1-O 2.94Å; W93-F95 VanDerWaalsContact NE1-O 3.15Å; W93-F95 PolarHBondContact O-N 3Å; W93-S96 PolarHBondContact NE1-O 3.34Å; W93-S96 VanDerWaalsContact NE1-O 3.1Å; W93-V99 HydrophobicContact CH2-CG1 4.33Å; W93-V99 HydrophobicContact CZ2-CB 4.07Å; W93-V99 HydrophobicContact CZ2-CG1 3.84Å; W93-C100 HydrophobicContact CZ2-CB 3.94Å; W93-I103 HydrophobicContact CH2-CD1 3.49Å; W93-I103 VanDerWaalsContact CH2-CD1 3.49Å; W93-I103 HydrophobicContact CZ2-CD1 4.12Å; W93-T168 HydrophobicContact CG-CG2 4.44Å; W93-R175 WeakPolarHBondContact CA-O 3.29Å; W93-R175 HydrophobicContact CB-CB 4.37Å; W93-R175 HydrophobicContact CB-CG 4.14Å; W93-R175 WeakPolarHBondContact CB-O 3.44Å; W93-R175 PolarHBondContact N-O 3.29Å; W93-C177 HydrophobicContact CB-CB 4.21Å; W93-C177 HydrophobicContact CD2-CB 3.68Å; W93-C177 HydrophobicContact CE3-CB 3.87Å; W93-C177 HydrophobicContact CG-CB 3.82Å
94P93.8Very high95.4Very high69 Ų6949.2 Ų49.245%0.44827%0.268SS..  trans-76.1-13.1-17535.5-42.2000112.5F85 D92F85-P94 HydrophobicContact CD1-CG 3.8Å; F85-P94 HydrophobicContact CE1-CB 4.36Å; F85-P94 HydrophobicContact CE1-CG 3.5Å; F85-P94 VanDerWaalsContact CE1-CG 3.5Å; F85-P94 HydrophobicContact CZ-CG 4.44Å; D92-P94 WeakPolarHBondContact O-CD 3.36Å
95F94.8Very high95.5Very high64 Ų6448.6 Ų48.628%0.28126%0.264SS..SBendtrans-89.3177.2-176.1-46.7-78.4000111.5F82 F85 W93 V99F82-F95 HydrophobicContact CB-CE2 4.22Å; F82-F95 HydrophobicContact CD1-CD1 4.05Å; F82-F95 AromaticContact CD1-CD2 3.96Å; F82-F95 HydrophobicContact CD1-CD2 3.96Å; F82-F95 AromaticContact CD1-CE1 3.74Å; F82-F95 HydrophobicContact CD1-CE1 3.74Å; F82-F95 AromaticContact CD1-CE2 3.65Å; F82-F95 HydrophobicContact CD1-CE2 3.65Å; F82-F95 HydrophobicContact CD1-CG 4.16Å; F82-F95 AromaticContact CD1-CZ 3.53Å; F82-F95 HydrophobicContact CD1-CZ 3.53Å; F82-F95 HydrophobicContact CE1-CD1 4.14Å; F82-F95 AromaticContact CE1-CE1 3.86Å; F82-F95 HydrophobicContact CE1-CE1 3.86Å; F82-F95 HydrophobicContact CE1-CZ 4.09Å; F82-F95 HydrophobicContact CG-CE2 4.41Å; F82-F95 HydrophobicContact CG-CZ 4.48Å; F85-F95 HydrophobicContact CD1-CE2 4.41Å; W93-F95 HydrophobicContact CD2-CD2 4.14Å; W93-F95 AromaticContact CE2-CD2 3.92Å; W93-F95 HydrophobicContact CE3-CD2 4.16Å; W93-F95 AromaticContact CH2-CD2 3.66Å; W93-F95 HydrophobicContact CH2-CD2 3.66Å; W93-F95 HydrophobicContact CH2-CE2 4.38Å; W93-F95 HydrophobicContact CH2-CG 4.46Å; W93-F95 HydrophobicContact CZ2-CB 3.71Å; W93-F95 AromaticContact CZ2-CD2 3.7Å; W93-F95 HydrophobicContact CZ2-CD2 3.7Å; W93-F95 HydrophobicContact CZ2-CG 4.11Å; W93-F95 AromaticContact CZ3-CD2 3.94Å; W93-F95 HydrophobicContact CZ3-CD2 3.94Å; W93-F95 HydrophobicContact CZ3-CE2 4.44Å; W93-F95 PolarHBondContact NE1-O 2.94Å; W93-F95 VanDerWaalsContact NE1-O 3.15Å; W93-F95 PolarHBondContact O-N 3Å; F95-V99 HydrophobicContact CB-CB 4.09Å; F95-V99 HydrophobicContact CB-CG1 4.16Å; F95-V99 HydrophobicContact CB-CG2 4.44Å; F95-V99 HydrophobicContact CG-CG1 4.47Å
96S94.3Very high95.5Very high60 Ų6045.5 Ų45.542%0.4225%0.252SS..  trans-80.7161.5178.165.20000112.5W93 V99 C100W93-S96 PolarHBondContact NE1-O 3.34Å; W93-S96 VanDerWaalsContact NE1-O 3.1Å; S96-V99 PolarHBondContact O-N 3.39Å; S96-V99 VanDerWaalsContact O-N 3.16Å; S96-C100 PolarHBondContact O-N 2.98Å
97E95.1Very high95.6Very high68 Ų6846 Ų4632%0.31825%0.254SS..Hα-helixtrans-57-40.7175.3-172.5-178.914100113.5V99 C100 K101 T168E97-V99 PolarHBondContact O-N 2.89Å; E97-C100 WeakPolarHBondContact O-CB 3.21Å; E97-C100 PolarHBondContact O-N 3.5Å; E97-C100 VanDerWaalsContact O-N 3.11Å; E97-K101 HydrophobicContact CG-CD 4.34Å; E97-K101 PolarHBondContact O-N 2.87Å; E97-K101 WeakPolarHBondContact OE1-CE 3.33Å; E97-K101 IonicContact OE1-NZ 3.51Å; E97-K101 PolarHBondContact OE1-NZ 2.97Å; E97-T168 HydrophobicContact CB-CG2 4.22Å; E97-T168 WeakPolarHBondContact CB-OG1 3.28Å; E97-T168 HydrophobicContact CG-CG2 4.29Å; E97-T168 PolarHBondContact OE2-OG1 3.39Å
98P96.8Very high95.7Very high89 Ų8946.5 Ų46.558%0.57826%0.256SS*.Hα-helixtrans-56.8-35.3174.3-28.336.5000114.1K101 L102P98-K101 PolarHBondContact O-N 3.21Å; P98-L102 WeakPolarHBondContact O-CB 3.29Å; P98-L102 PolarHBondContact O-N 3.39Å
99V97.1Very high95.9Very high41 Ų4143.7 Ų43.725%0.24823%0.232CC..Hα-helixtrans-69.2-42176.8-177.70000110.1F82 W93 F95 S96 E97 K101 L102 I103F82-V99 HydrophobicContact CD1-CG1 4.06Å; F82-V99 HydrophobicContact CE1-CG1 4.17Å; W93-V99 HydrophobicContact CH2-CG1 4.33Å; W93-V99 HydrophobicContact CZ2-CB 4.07Å; W93-V99 HydrophobicContact CZ2-CG1 3.84Å; F95-V99 HydrophobicContact CB-CB 4.09Å; F95-V99 HydrophobicContact CB-CG1 4.16Å; F95-V99 HydrophobicContact CB-CG2 4.44Å; F95-V99 HydrophobicContact CG-CG1 4.47Å; S96-V99 PolarHBondContact O-N 3.39Å; S96-V99 VanDerWaalsContact O-N 3.16Å; E97-V99 PolarHBondContact O-N 2.89Å; V99-K101 PolarHBondContact O-N 3.01Å; V99-L102 PolarHBondContact O-N 3.04Å; V99-I103 HydrophobicContact CG1-CD1 3.68Å; V99-I103 HydrophobicContact CG1-CG1 4.42Å; V99-I103 WeakPolarHBondContact O-CB 3.29Å; V99-I103 WeakPolarHBondContact O-CD1 3.28Å; V99-I103 VanDerWaalsContact O-CG1 3.25Å; V99-I103 WeakPolarHBondContact O-CG1 3.48Å; V99-I103 PolarHBondContact O-N 3.29Å
100C97Very high96Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-56.5-49.6172.4172.40000110.5W93 S96 E97 L102 I103 R104 T168 C177W93-C100 HydrophobicContact CZ2-CB 3.94Å; S96-C100 PolarHBondContact O-N 2.98Å; E97-C100 WeakPolarHBondContact O-CB 3.21Å; E97-C100 PolarHBondContact O-N 3.5Å; E97-C100 VanDerWaalsContact O-N 3.11Å; C100-L102 PolarHBondContact O-N 2.96Å; C100-I103 PolarHBondContact O-N 3.3Å; C100-R104 VanDerWaalsContact O-CG 3.26Å; C100-R104 WeakPolarHBondContact O-CG 3.25Å; C100-R104 PolarHBondContact O-N 3.03Å; C100-T168 HydrophobicContact CB-CG2 3.94Å; C100-C177 HydrophobicContact CB-CB 3.88Å; C100-C177 WeakPolarHBondContact CB-SG 3.21Å; C100-C177 WeakPolarHBondContact SG-CB 3.4Å; C100-C177 CovalentContact SG-SG 2.04Å; C100-C177 PolarHBondContact SG-SG 3.47Å
101K97.5Very high96.3Very high53 Ų5334.1 Ų34.123%0.2319%0.186CC..Hα-helixtrans-57.1-49.1177-76.1173.3170.1174.40112.6E97 P98 V99 I103 R104 F105 L163 A166E97-K101 HydrophobicContact CG-CD 4.34Å; E97-K101 PolarHBondContact O-N 2.87Å; E97-K101 WeakPolarHBondContact OE1-CE 3.33Å; E97-K101 IonicContact OE1-NZ 3.51Å; E97-K101 PolarHBondContact OE1-NZ 2.97Å; P98-K101 PolarHBondContact O-N 3.21Å; V99-K101 PolarHBondContact O-N 3.01Å; K101-I103 VanDerWaalsContact C-N 3.35Å; K101-I103 PolarHBondContact O-N 2.94Å; K101-R104 PolarHBondContact O-N 3.05Å; K101-F105 VanDerWaalsContact O-CB 3.27Å; K101-F105 WeakPolarHBondContact O-CB 3.41Å; K101-F105 PolarHBondContact O-N 3.39Å; K101-L163 HydrophobicContact CB-CD2 4.06Å; K101-L163 VanDerWaalsContact CD-O 3.23Å; K101-L163 WeakPolarHBondContact CD-O 3.47Å; K101-L163 WeakPolarHBondContact CE-O 3.47Å; K101-A166 HydrophobicContact CB-CB 4.49Å; K101-A166 WeakPolarHBondContact CE-O 3.48Å; K101-A166 HydrophobicContact CG-CB 3.98Å; K101-A166 WeakPolarHBondContact CG-O 3.24Å
102L97.5Very high96.6Very high90 Ų9033.4 Ų33.447%0.47118%0.182SC..Hα-helixtrans-60.6-43.4179.9178.761.7000111.9P98 V99 C100 F105 L106P98-L102 WeakPolarHBondContact O-CB 3.29Å; P98-L102 PolarHBondContact O-N 3.39Å; V99-L102 PolarHBondContact O-N 3.04Å; C100-L102 PolarHBondContact O-N 2.96Å; L102-F105 PolarHBondContact O-N 3.09Å; L102-L106 HydrophobicContact CD1-CD1 3.93Å; L102-L106 HydrophobicContact CD1-CG 4.05Å; L102-L106 HydrophobicContact CG-CD1 3.96Å; L102-L106 HydrophobicContact CG-CG 4.43Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 2.92Å
103I97.4Very high96.9Very high5 Ų531 Ų313%0.02617%0.169CC..Hα-helixtrans-68-43.7-179-68.9166.6000111.1T79 F82 L83 W93 V99 C100 K101 F105 L106 F107T79-I103 HydrophobicContact CG2-CG1 4.14Å; F82-I103 HydrophobicContact CB-CD1 3.45Å; F82-I103 VanDerWaalsContact CB-CD1 3.45Å; F82-I103 HydrophobicContact CD1-CD1 4.27Å; F82-I103 HydrophobicContact CD2-CD1 4.16Å; F82-I103 HydrophobicContact CG-CD1 3.72Å; L83-I103 HydrophobicContact CD1-CG2 4.03Å; L83-I103 HydrophobicContact CD2-CG2 3.8Å; L83-I103 HydrophobicContact CG-CG2 3.85Å; W93-I103 HydrophobicContact CH2-CD1 3.49Å; W93-I103 VanDerWaalsContact CH2-CD1 3.49Å; W93-I103 HydrophobicContact CZ2-CD1 4.12Å; V99-I103 HydrophobicContact CG1-CD1 3.68Å; V99-I103 HydrophobicContact CG1-CG1 4.42Å; V99-I103 WeakPolarHBondContact O-CB 3.29Å; V99-I103 WeakPolarHBondContact O-CD1 3.28Å; V99-I103 VanDerWaalsContact O-CG1 3.25Å; V99-I103 WeakPolarHBondContact O-CG1 3.48Å; V99-I103 PolarHBondContact O-N 3.29Å; C100-I103 PolarHBondContact O-N 3.3Å; K101-I103 VanDerWaalsContact C-N 3.35Å; K101-I103 PolarHBondContact O-N 2.94Å; I103-F105 VanDerWaalsContact C-N 3.31Å; I103-F105 PolarHBondContact O-N 3.3Å; I103-L106 PolarHBondContact O-N 2.88Å; I103-F107 PolarHBondContact O-N 3.41Å
104R97Very high97Very high15 Ų1530.9 Ų30.96%0.05717%0.168CC..Hα-helixtrans-62.6-41.1175-62.9-60.8177.3173.92.1111.2C100 K101 Y108 I162 A166 C177 Y178 D179 R303C100-R104 VanDerWaalsContact O-CG 3.26Å; C100-R104 WeakPolarHBondContact O-CG 3.25Å; C100-R104 PolarHBondContact O-N 3.03Å; K101-R104 PolarHBondContact O-N 3.05Å; R104-Y108 VanDerWaalsContact O-CD2 3.26Å; R104-Y108 WeakPolarHBondContact O-CD2 3.29Å; R104-Y108 PolarHBondContact O-N 3.34Å; R104-I162 HydrophobicContact CB-CG2 3.89Å; R104-A166 HydrophobicContact CB-CB 3.88Å; R104-A166 HydrophobicContact CG-CB 3.99Å; R104-C177 PolarHBondContact NH2-O 3.36Å; R104-Y178 PolarHBondContact NE-O 2.88Å; R104-Y178 VanDerWaalsContact NE-O 3.09Å; R104-Y178 PolarHBondContact NH2-O 3.33Å; R104-D179 IonicContact CZ-OD1 2.94Å; R104-D179 VanDerWaalsContact CZ-OD1 3.23Å; R104-D179 IonicContact NH1-OD1 3.02Å; R104-D179 PolarHBondContact NH1-OD1 3.47Å; R104-D179 IonicContact NH2-OD1 3.86Å; R104-D179 PolarHBondContact NH2-OD1 3.41Å; R104-R303 VanDerWaalsContact NH1-NH2 3.12Å
105F97.9Very high97.2Very high24 Ų2427.6 Ų27.611%0.10515%0.147CC..Hα-helixtrans-62-49.7175174.5-95.2000112K101 L102 I103 F107 Y108 A109 L156 Q159 I162 L163K101-F105 VanDerWaalsContact O-CB 3.27Å; K101-F105 WeakPolarHBondContact O-CB 3.41Å; K101-F105 PolarHBondContact O-N 3.39Å; L102-F105 PolarHBondContact O-N 3.09Å; I103-F105 VanDerWaalsContact C-N 3.31Å; I103-F105 PolarHBondContact O-N 3.3Å; F105-F107 VanDerWaalsContact C-N 3.32Å; F105-F107 PolarHBondContact O-N 3.45Å; F105-Y108 PolarHBondContact O-N 2.88Å; F105-A109 HydrophobicContact CE1-CB 4.31Å; F105-A109 VanDerWaalsContact O-CB 3.32Å; F105-A109 WeakPolarHBondContact O-CB 3.43Å; F105-A109 PolarHBondContact O-N 3.37Å; F105-L156 HydrophobicContact CE1-CD2 4Å; F105-L156 HydrophobicContact CZ-CD2 3.6Å; F105-Q159 HydrophobicContact CD2-CB 4.02Å; F105-Q159 WeakPolarHBondContact CD2-O 3.05Å; F105-Q159 HydrophobicContact CE2-CB 3.72Å; F105-I162 HydrophobicContact CB-CG2 4.28Å; F105-L163 HydrophobicContact CB-CD2 3.75Å; F105-L163 HydrophobicContact CB-CG 4.35Å; F105-L163 HydrophobicContact CD2-CD1 4.39Å; F105-L163 HydrophobicContact CD2-CD2 4.29Å; F105-L163 HydrophobicContact CD2-CG 4.03Å; F105-L163 HydrophobicContact CG-CD2 4.07Å; F105-L163 HydrophobicContact CG-CG 4.32Å
106L98.1Very high97.3Very high34 Ų3425.9 Ų25.918%0.17814%0.14CC..Hα-helixtrans-65.3-33.3-179.2-74.2175.2000112.8L75 T79 L102 I103 N110L75-L106 HydrophobicContact CB-CD2 4.49Å; T79-L106 HydrophobicContact CG2-CB 3.98Å; T79-L106 HydrophobicContact CG2-CD1 3.47Å; T79-L106 VanDerWaalsContact CG2-CD1 3.47Å; T79-L106 HydrophobicContact CG2-CG 4.38Å; L102-L106 HydrophobicContact CD1-CD1 3.93Å; L102-L106 HydrophobicContact CD1-CG 4.05Å; L102-L106 HydrophobicContact CG-CD1 3.96Å; L102-L106 HydrophobicContact CG-CG 4.43Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 2.92Å; I103-L106 PolarHBondContact O-N 2.88Å; L106-N110 VanDerWaalsContact O-CB 3.28Å; L106-N110 WeakPolarHBondContact O-CB 3.49Å; L106-N110 PolarHBondContact O-N 3.16Å
107F97.4Very high97.5Very high15 Ų1523 Ų237%0.06612%0.121CC..Hα-helixtrans-58.3-51.8170.4169.9-101.2000111.6Y76 I103 F105 N110 L111 F266 A306Y76-F107 HydrophobicContact CD2-CB 4.16Å; Y76-F107 HydrophobicContact CD2-CD2 4.44Å; Y76-F107 HydrophobicContact CE2-CB 3.89Å; Y76-F107 AromaticContact CE2-CD2 3.68Å; Y76-F107 HydrophobicContact CE2-CD2 3.68Å; Y76-F107 HydrophobicContact CE2-CG 4.29Å; Y76-F107 AromaticContact CZ-CD2 3.75Å; I103-F107 PolarHBondContact O-N 3.41Å; F105-F107 VanDerWaalsContact C-N 3.32Å; F105-F107 PolarHBondContact O-N 3.45Å; F107-N110 PolarHBondContact O-N 2.92Å; F107-L111 WeakPolarHBondContact O-CB 3.39Å; F107-L111 PolarHBondContact O-N 3.4Å; F107-F266 HydrophobicContact CE1-CE1 4.45Å; F107-F266 HydrophobicContact CE1-CE2 4.3Å; F107-F266 AromaticContact CE1-CZ 3.79Å; F107-F266 HydrophobicContact CE1-CZ 3.79Å; F107-F266 HydrophobicContact CZ-CE1 4.4Å; F107-F266 AromaticContact CZ-CE2 3.97Å; F107-F266 HydrophobicContact CZ-CE2 3.97Å; F107-F266 AromaticContact CZ-CZ 3.81Å; F107-F266 HydrophobicContact CZ-CZ 3.81Å; F107-A306 HydrophobicContact CE2-CB 4.48Å; F107-A306 HydrophobicContact CZ-CB 4.43Å
108Y97.8Very high97.4Very high10 Ų1019.8 Ų19.84%0.03911%0.105CC..Hα-helixtrans-71.8-34.5-180-73.9-61.5000113R104 F105 N110 L111 Y112 I162 F266R104-Y108 VanDerWaalsContact O-CD2 3.26Å; R104-Y108 WeakPolarHBondContact O-CD2 3.29Å; R104-Y108 PolarHBondContact O-N 3.34Å; F105-Y108 PolarHBondContact O-N 2.88Å; Y108-N110 VanDerWaalsContact C-N 3.34Å; Y108-L111 HydrophobicContact CD1-CD2 4.15Å; Y108-L111 HydrophobicContact CE1-CD2 4.48Å; Y108-L111 PolarHBondContact O-N 2.94Å; Y108-Y112 HydrophobicContact CD1-CD2 4.48Å; Y108-Y112 AromaticContact CD1-CE2 3.87Å; Y108-Y112 HydrophobicContact CD1-CE2 3.87Å; Y108-Y112 HydrophobicContact CG-CE2 4.5Å; Y108-Y112 VanDerWaalsContact O-CD2 3.22Å; Y108-Y112 WeakPolarHBondContact O-CD2 3.27Å; Y108-Y112 PolarHBondContact O-N 2.93Å; Y108-I162 HydrophobicContact CD2-CD1 3.54Å; Y108-I162 HydrophobicContact CD2-CG1 3.77Å; Y108-I162 HydrophobicContact CD2-CG2 4.12Å; Y108-I162 HydrophobicContact CE2-CD1 3.75Å; Y108-I162 HydrophobicContact CE2-CG1 4.46Å; Y108-I162 HydrophobicContact CG-CD1 4.3Å; Y108-I162 HydrophobicContact CG-CG1 4.37Å; Y108-F266 HydrophobicContact CE1-CE1 4.5Å; Y108-F266 HydrophobicContact CE1-CZ 4.23Å
109A98.1Very high97.4Very high4 Ų416.1 Ų16.13%0.0338%0.082CC..Hα-helixtrans-63.9-40.1174.400000111.4F105 G113 V155F105-A109 HydrophobicContact CE1-CB 4.31Å; F105-A109 VanDerWaalsContact O-CB 3.32Å; F105-A109 WeakPolarHBondContact O-CB 3.43Å; F105-A109 PolarHBondContact O-N 3.37Å; A109-G113 VanDerWaalsContact O-CA 3.32Å; A109-G113 WeakPolarHBondContact O-CA 3.35Å; A109-G113 PolarHBondContact O-N 2.7Å; A109-V155 HydrophobicContact CB-CG1 3.96Å
110N98.1Very high97.3Very high5 Ų515 Ų153%0.0278%0.075CC..Hα-helixtrans-62.6-54.8170.4168-93.6000111.3C72 D73 Y76 L106 F107 Y108 Y112 G113 S114C72-N110 PolarHBondContact O-ND2 2.72Å; D73-N110 WeakPolarHBondContact CA-ND2 3.36Å; D73-N110 PolarHBondContact N-ND2 3.03Å; D73-N110 PolarHBondContact OD1-ND2 3.09Å; Y76-N110 HydrophobicContact CD1-CB 4.47Å; Y76-N110 HydrophobicContact CG-CB 4Å; L106-N110 VanDerWaalsContact O-CB 3.28Å; L106-N110 WeakPolarHBondContact O-CB 3.49Å; L106-N110 PolarHBondContact O-N 3.16Å; F107-N110 PolarHBondContact O-N 2.92Å; Y108-N110 VanDerWaalsContact C-N 3.34Å; N110-Y112 PolarHBondContact O-N 3.45Å; N110-G113 PolarHBondContact O-N 2.86Å; N110-S114 VanDerWaalsContact O-CB 3.31Å; N110-S114 WeakPolarHBondContact O-CB 3.36Å; N110-S114 PolarHBondContact O-N 2.66Å; N110-S114 PolarHBondContact O-OG 3.09Å; N110-S114 VanDerWaalsContact O-OG 3.05Å
111L97.6Very high97Very high1 Ų115 Ų151%0.0058%0.076CC..Hα-helixtrans-51.7-55.4-177.1177.164.8000112.1F107 Y108 I115 F263 F266 A306F107-L111 WeakPolarHBondContact O-CB 3.39Å; F107-L111 PolarHBondContact O-N 3.4Å; Y108-L111 HydrophobicContact CD1-CD2 4.15Å; Y108-L111 HydrophobicContact CE1-CD2 4.48Å; Y108-L111 PolarHBondContact O-N 2.94Å; L111-I115 HydrophobicContact CD1-CD1 4.3Å; L111-I115 HydrophobicContact CG-CD1 4.33Å; L111-I115 WeakPolarHBondContact O-CD1 3.46Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 2.87Å; L111-F263 HydrophobicContact CD1-CD1 3.48Å; L111-F263 VanDerWaalsContact CD1-CD1 3.48Å; L111-F263 HydrophobicContact CD1-CE1 3.82Å; L111-F266 HydrophobicContact CD2-CD1 3.84Å; L111-F266 HydrophobicContact CD2-CE1 3.39Å; L111-F266 HydrophobicContact CD2-CZ 4.33Å; L111-A306 HydrophobicContact CD1-CB 4.27Å
112Y98.3Very high96.8Very high2 Ų212.5 Ų12.51%0.0087%0.065CC..Hα-helixtrans-78.7-31.3-176.4-66.5-60.8000113Y108 N110 I115 L116 Q159 V196 M200 F201 H267 R270Y108-Y112 HydrophobicContact CD1-CD2 4.48Å; Y108-Y112 AromaticContact CD1-CE2 3.87Å; Y108-Y112 HydrophobicContact CD1-CE2 3.87Å; Y108-Y112 HydrophobicContact CG-CE2 4.5Å; Y108-Y112 VanDerWaalsContact O-CD2 3.22Å; Y108-Y112 WeakPolarHBondContact O-CD2 3.27Å; Y108-Y112 PolarHBondContact O-N 2.93Å; N110-Y112 PolarHBondContact O-N 3.45Å; Y112-I115 HydrophobicContact CD1-CD1 4.12Å; Y112-L116 WeakPolarHBondContact O-CG 3.33Å; Y112-L116 PolarHBondContact O-N 2.87Å; Y112-Q159 HydrophobicContact CD2-CG 4.22Å; Y112-Q159 VanDerWaalsContact CD2-NE2 3.31Å; Y112-V196 HydrophobicContact CD2-CG1 4.16Å; Y112-V196 HydrophobicContact CE1-CG1 4.16Å; Y112-V196 HydrophobicContact CE2-CG1 3.54Å; Y112-M200 HydrophobicContact CD1-CB 3.25Å; Y112-M200 HydrophobicContact CD1-CG 4.38Å; Y112-M200 HydrophobicContact CE1-CB 3.62Å; Y112-M200 HydrophobicContact CG-CB 3.82Å; Y112-F201 HydrophobicContact CE1-CB 4.28Å; Y112-H267 AromaticContact CE1-CE1 3.6Å; Y112-H267 AromaticContact CZ-CE1 3.87Å; Y112-R270 PolarHBondContact OH-NH1 2.94Å; Y112-R270 PolarHBondContact OH-NH2 2.83Å
113G98.3Very high96.6Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-59.9-48170.800000111.5A109 N110 I115 L116 F117A109-G113 VanDerWaalsContact O-CA 3.32Å; A109-G113 WeakPolarHBondContact O-CA 3.35Å; A109-G113 PolarHBondContact O-N 2.7Å; N110-G113 PolarHBondContact O-N 2.86Å; G113-I115 PolarHBondContact O-N 3.15Å; G113-L116 PolarHBondContact O-N 3.24Å; G113-F117 WeakPolarHBondContact O-CB 3.39Å; G113-F117 WeakPolarHBondContact O-CD2 3.45Å; G113-F117 PolarHBondContact O-N 3.14Å
114S97.4Very high96.2Very high0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-61.9-45.7178.5-63.90000112L69 N110 L116 F117 L118L69-S114 VanDerWaalsContact CD1-CA 3.44Å; L69-S114 WeakPolarHBondContact CD1-OG 3.34Å; N110-S114 VanDerWaalsContact O-CB 3.31Å; N110-S114 WeakPolarHBondContact O-CB 3.36Å; N110-S114 PolarHBondContact O-N 2.66Å; N110-S114 PolarHBondContact O-OG 3.09Å; N110-S114 VanDerWaalsContact O-OG 3.05Å; S114-L116 PolarHBondContact O-N 3.05Å; S114-F117 PolarHBondContact O-N 2.86Å; S114-L118 WeakPolarHBondContact O-CB 3.4Å; S114-L118 WeakPolarHBondContact O-CD1 3.35Å; S114-L118 WeakPolarHBondContact O-CG 3.25Å; S114-L118 PolarHBondContact O-N 3.41Å
115I97.5Very high95.8Very high0 Ų013.4 Ų13.40%07%0.067CC..Hα-helixtrans-56.2-49.2174.9-69.9161.3000111.6L111 Y112 G113 L118 C119 M200 F201 P204 F259 F263L111-I115 HydrophobicContact CD1-CD1 4.3Å; L111-I115 HydrophobicContact CG-CD1 4.33Å; L111-I115 WeakPolarHBondContact O-CD1 3.46Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 2.87Å; Y112-I115 HydrophobicContact CD1-CD1 4.12Å; G113-I115 PolarHBondContact O-N 3.15Å; I115-L118 PolarHBondContact O-N 3.26Å; I115-C119 WeakPolarHBondContact O-CB 3.13Å; I115-C119 PolarHBondContact O-N 3.01Å; I115-M200 VanDerWaalsContact CG2-O 3.3Å; I115-M200 WeakPolarHBondContact CG2-O 3.39Å; I115-F201 HydrophobicContact CD1-CB 4.21Å; I115-F201 HydrophobicContact CD1-CD2 3.89Å; I115-P204 HydrophobicContact CG2-CB 3.64Å; I115-P204 HydrophobicContact CG2-CG 4.17Å; I115-F259 HydrophobicContact CG1-CE1 4.23Å; I115-F259 HydrophobicContact CG2-CE1 3.98Å; I115-F259 HydrophobicContact CG2-CZ 4.02Å; I115-F263 HydrophobicContact CD1-CB 4.49Å; I115-F263 HydrophobicContact CD1-CD1 4.28Å; I115-F263 HydrophobicContact CD1-CG 4.2Å; I115-F263 HydrophobicContact CG1-CD1 4.12Å; I115-F263 HydrophobicContact CG1-CD2 3.79Å; I115-F263 HydrophobicContact CG1-CE1 4.18Å; I115-F263 HydrophobicContact CG1-CE2 3.88Å; I115-F263 HydrophobicContact CG1-CG 3.92Å; I115-F263 HydrophobicContact CG1-CZ 4.05Å
116L98Very high95.5Very high27 Ų2713.6 Ų13.614%0.1417%0.068CC..Hα-helixtrans-68.8-37.8-178.6-70.4-174.8000112.7Y112 G113 S114 C119 C120 V151 V155 M200 P204Y112-L116 WeakPolarHBondContact O-CG 3.33Å; Y112-L116 PolarHBondContact O-N 2.87Å; G113-L116 PolarHBondContact O-N 3.24Å; S114-L116 PolarHBondContact O-N 3.05Å; L116-C119 WeakPolarHBondContact O-CB 2.99Å; L116-C119 PolarHBondContact O-N 3.41Å; L116-C120 PolarHBondContact O-N 3.15Å; L116-C120 PolarHBondContact O-SG 3Å; L116-V151 HydrophobicContact CB-CG1 3.74Å; L116-V151 HydrophobicContact CD1-CG1 4.09Å; L116-V155 HydrophobicContact CD1-CG2 3.95Å; L116-M200 HydrophobicContact CD1-CE 3.41Å; L116-M200 VanDerWaalsContact CD1-CE 3.41Å; L116-M200 HydrophobicContact CD1-SD 4.04Å; L116-M200 HydrophobicContact CG-CE 4.22Å; L116-P204 HydrophobicContact CD2-CB 4.22Å; L116-P204 HydrophobicContact CD2-CG 3.59Å
117F96.8Very high95Very high0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-68.3-40.7174.9-78-59.5000111.8Y65 N68 L69 G113 S114 C119 C120 I121 V151 W152Y65-F117 HydrophobicContact CD1-CD1 4.18Å; Y65-F117 HydrophobicContact CD1-CE1 4.41Å; N68-F117 HydrophobicContact CB-CD1 3.92Å; N68-F117 HydrophobicContact CB-CD2 4.05Å; N68-F117 HydrophobicContact CB-CE1 3.44Å; N68-F117 VanDerWaalsContact CB-CE1 3.44Å; N68-F117 HydrophobicContact CB-CE2 3.59Å; N68-F117 HydrophobicContact CB-CG 4.23Å; N68-F117 HydrophobicContact CB-CZ 3.28Å; L69-F117 HydrophobicContact CB-CB 4.17Å; L69-F117 HydrophobicContact CD1-CB 4.28Å; G113-F117 WeakPolarHBondContact O-CB 3.39Å; G113-F117 WeakPolarHBondContact O-CD2 3.45Å; G113-F117 PolarHBondContact O-N 3.14Å; S114-F117 PolarHBondContact O-N 2.86Å; F117-C119 VanDerWaalsContact C-N 3.27Å; F117-C119 PolarHBondContact O-N 3.43Å; F117-C120 WeakPolarHBondContact O-CB 3.42Å; F117-C120 PolarHBondContact O-N 2.95Å; F117-C120 VanDerWaalsContact O-N 3.16Å; F117-I121 WeakPolarHBondContact O-CG1 3.22Å; F117-I121 PolarHBondContact O-N 3.08Å; F117-V151 HydrophobicContact CD1-CG1 4.38Å; F117-V151 HydrophobicContact CD2-CG1 4.21Å; F117-V151 HydrophobicContact CE1-CB 4.12Å; F117-V151 HydrophobicContact CE1-CG1 3.95Å; F117-V151 HydrophobicContact CE2-CG1 3.75Å; F117-V151 HydrophobicContact CG-CG1 4.48Å; F117-V151 HydrophobicContact CZ-CB 3.96Å; F117-V151 HydrophobicContact CZ-CG1 3.58Å; F117-W152 HydrophobicContact CE2-CZ2 4.44Å; F117-W152 AromaticContact CE2-NE1 3.95Å; F117-W152 AromaticContact CZ-CD1 3.89Å; F117-W152 AromaticContact CZ-NE1 3.71Å
118L94.1Very high94.4Very high0 Ų014.6 Ų14.60%08%0.081CC..Hα-helixtrans-61.6-37.5172.6-68.4167.6000111.4L69 S114 I115 I121 S122 V255 A258 F263L69-L118 HydrophobicContact CD1-CG 4.35Å; L69-L118 HydrophobicContact CD2-CD2 3.82Å; L69-L118 HydrophobicContact CD2-CG 4.32Å; S114-L118 WeakPolarHBondContact O-CB 3.4Å; S114-L118 WeakPolarHBondContact O-CD1 3.35Å; S114-L118 WeakPolarHBondContact O-CG 3.25Å; S114-L118 PolarHBondContact O-N 3.41Å; I115-L118 PolarHBondContact O-N 3.26Å; L118-I121 PolarHBondContact O-N 3.49Å; L118-S122 WeakPolarHBondContact O-CB 3.26Å; L118-S122 PolarHBondContact O-N 3.45Å; L118-S122 PolarHBondContact O-OG 2.73Å; L118-V255 HydrophobicContact CB-CG1 4.42Å; L118-V255 HydrophobicContact CD2-CG2 4.01Å; L118-A258 HydrophobicContact CD1-CB 4.25Å; L118-F263 HydrophobicContact CD1-CE2 3.58Å; L118-F263 HydrophobicContact CD1-CZ 4Å
119C95.7Very high93.8Very high12 Ų1214.6 Ų14.68%0.0818%0.081CC..Hα-helixtrans-62.1-47.8171.2-174.60000111.8I115 L116 F117 I121 S122 I123 P204 V208I115-C119 WeakPolarHBondContact O-CB 3.13Å; I115-C119 PolarHBondContact O-N 3.01Å; L116-C119 WeakPolarHBondContact O-CB 2.99Å; L116-C119 PolarHBondContact O-N 3.41Å; F117-C119 VanDerWaalsContact C-N 3.27Å; F117-C119 PolarHBondContact O-N 3.43Å; C119-I121 VanDerWaalsContact C-N 3.33Å; C119-I121 PolarHBondContact O-N 2.86Å; C119-S122 WeakPolarHBondContact O-CA 3.29Å; C119-S122 WeakPolarHBondContact O-CB 3.47Å; C119-S122 PolarHBondContact O-N 3.15Å; C119-S122 VanDerWaalsContact O-N 3.09Å; C119-I123 WeakPolarHBondContact O-CG1 3.08Å; C119-I123 PolarHBondContact O-N 3.33Å; C119-P204 HydrophobicContact CB-CB 4.36Å; C119-V208 HydrophobicContact CB-CG2 3.98Å
120C95.3Very high93.1Very high17 Ų1715.4 Ų15.412%0.1159%0.087CC..Hα-helixtrans-58.6-43.2176.2-67.90000112.3Y65 L116 F117 S122 H124Y65-C120 HydrophobicContact CD1-CB 4Å; Y65-C120 HydrophobicContact CD2-CB 4.11Å; Y65-C120 HydrophobicContact CE1-CB 3.96Å; Y65-C120 HydrophobicContact CE2-CB 4.05Å; Y65-C120 HydrophobicContact CG-CB 4.09Å; L116-C120 PolarHBondContact O-N 3.15Å; L116-C120 PolarHBondContact O-SG 3Å; F117-C120 WeakPolarHBondContact O-CB 3.42Å; F117-C120 PolarHBondContact O-N 2.95Å; F117-C120 VanDerWaalsContact O-N 3.16Å; C120-S122 VanDerWaalsContact C-N 3.32Å; C120-H124 WeakPolarHBondContact O-CB 3.4Å; C120-H124 PolarHBondContact O-N 3.11Å
121I92.2Very high92.5Very high2 Ų218.6 Ų18.61%0.0110%0.101CC..Hα-helixtrans-62.4-43.8176.5-61.8167.2000109.3Y65 M66 L69 F117 L118 C119 H124 R125 M251 Y317Y65-I121 VanDerWaalsContact CB-CG1 3.47Å; Y65-I121 HydrophobicContact CD2-CG1 4.24Å; Y65-I121 HydrophobicContact CG-CG1 4.25Å; M66-I121 HydrophobicContact CG-CD1 4.15Å; L69-I121 HydrophobicContact CD2-CD1 4.28Å; F117-I121 WeakPolarHBondContact O-CG1 3.22Å; F117-I121 PolarHBondContact O-N 3.08Å; L118-I121 PolarHBondContact O-N 3.49Å; C119-I121 VanDerWaalsContact C-N 3.33Å; C119-I121 PolarHBondContact O-N 2.86Å; I121-H124 WeakPolarHBondContact O-CB 3.43Å; I121-H124 PolarHBondContact O-N 3.33Å; I121-R125 PolarHBondContact O-N 3.4Å; I121-M251 HydrophobicContact CB-CE 4.06Å; I121-M251 HydrophobicContact CG2-CE 3.3Å; I121-M251 HydrophobicContact CG2-CG 4.45Å; I121-M251 HydrophobicContact CG2-SD 3.26Å; I121-M251 WeakPolarHBondContact CG2-SD 3.2Å; I121-M251 VanDerWaalsContact O-CE 3.29Å; I121-M251 WeakPolarHBondContact O-CE 3.28Å; I121-Y317 WeakPolarHBondContact CD1-OH 3.44Å
122S92.1Very high91.5Very high0 Ų021.1 Ų21.10%012%0.118CC..Hα-helixtrans-61-50178.6-59.30000112.7L118 C119 C120 H124 R125 F126 Y212 M251L118-S122 WeakPolarHBondContact O-CB 3.26Å; L118-S122 PolarHBondContact O-N 3.45Å; L118-S122 PolarHBondContact O-OG 2.73Å; C119-S122 WeakPolarHBondContact O-CA 3.29Å; C119-S122 WeakPolarHBondContact O-CB 3.47Å; C119-S122 PolarHBondContact O-N 3.15Å; C119-S122 VanDerWaalsContact O-N 3.09Å; C120-S122 VanDerWaalsContact C-N 3.32Å; S122-H124 VanDerWaalsContact C-N 3.33Å; S122-H124 PolarHBondContact O-N 2.86Å; S122-R125 PolarHBondContact O-N 3.26Å; S122-F126 WeakPolarHBondContact O-CB 3.34Å; S122-F126 PolarHBondContact O-N 3.2Å; S122-Y212 VanDerWaalsContact OG-CZ 3.28Å; S122-Y212 PolarHBondContact OG-OH 3.17Å; S122-M251 VanDerWaalsContact CA-CE 3.45Å
123I92.5Very high90.5Very high64 Ų6426.7 Ų26.733%0.32815%0.152SC..Hα-helixtrans-60.6-44.4175.4-67168.2000110.4C119 R125 F126 L127 V207C119-I123 WeakPolarHBondContact O-CG1 3.08Å; C119-I123 PolarHBondContact O-N 3.33Å; I123-R125 VanDerWaalsContact C-N 3.28Å; I123-R125 PolarHBondContact O-N 2.81Å; I123-F126 PolarHBondContact O-N 3.19Å; I123-L127 HydrophobicContact CG2-CD1 4.03Å; I123-L127 HydrophobicContact CG2-CG 4.28Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 2.61Å; I123-V207 HydrophobicContact CD1-CG1 4.03Å; I123-V207 HydrophobicContact CG1-CG1 4.21Å
124H89.8Confident89.3Confident24 Ų2434.6 Ų34.611%0.11118%0.182CC..Hα-helixtrans-58.7-39177.3168.6-83.5000112.2Y65 C120 I121 S122 G128 V139Y65-H124 HydrophobicContact CE2-CB 4.13Å; C120-H124 WeakPolarHBondContact O-CB 3.4Å; C120-H124 PolarHBondContact O-N 3.11Å; I121-H124 WeakPolarHBondContact O-CB 3.43Å; I121-H124 PolarHBondContact O-N 3.33Å; S122-H124 VanDerWaalsContact C-N 3.33Å; S122-H124 PolarHBondContact O-N 2.86Å; H124-G128 PolarHBondContact O-N 3.42Å; H124-V139 WeakPolarHBondContact CD2-CG1 2.79Å; H124-V139 WeakPolarHBondContact NE2-CG1 3.22Å
125R89.5Confident88.3Confident40 Ų4035.6 Ų35.615%0.15119%0.189CC..Hα-helixtrans-70.9-44.2173.2-70.6-57.9162.8-151.2-12.1112.7S62 I121 S122 I123 L127 G128 I129 M215 M251S62-R125 PolarHBondContact OG-NH2 3.3Å; S62-R125 VanDerWaalsContact OG-NH2 3.12Å; I121-R125 PolarHBondContact O-N 3.4Å; S122-R125 PolarHBondContact O-N 3.26Å; I123-R125 VanDerWaalsContact C-N 3.28Å; I123-R125 PolarHBondContact O-N 2.81Å; R125-L127 VanDerWaalsContact C-N 3.32Å; R125-L127 PolarHBondContact O-N 2.88Å; R125-G128 PolarHBondContact O-N 3.29Å; R125-G128 VanDerWaalsContact O-N 3.14Å; R125-I129 HydrophobicContact CB-CD1 4.29Å; R125-I129 VanDerWaalsContact O-CD1 3.29Å; R125-I129 WeakPolarHBondContact O-CD1 3.4Å; R125-I129 VanDerWaalsContact O-CG1 3.3Å; R125-I129 WeakPolarHBondContact O-CG1 3.49Å; R125-I129 PolarHBondContact O-N 3.24Å; R125-M215 HydrophobicContact CB-CE 4.03Å; R125-M251 HydrophobicContact CB-CE 4.01Å; R125-M251 HydrophobicContact CB-SD 4.36Å; R125-M251 HydrophobicContact CG-CE 3.42Å; R125-M251 VanDerWaalsContact CG-CE 3.42Å; R125-M251 HydrophobicContact CG-SD 3.21Å; R125-M251 WeakPolarHBondContact CG-SD 3.33Å
126F90.1Very high87.1Confident29 Ų2942.8 Ų42.813%0.12723%0.226CC..Hα-helixtrans-54.4-48.9177.2167.7-101.4000111.5S122 I123 G128 I129 C130 H131 C211 L214 M215S122-F126 WeakPolarHBondContact O-CB 3.34Å; S122-F126 PolarHBondContact O-N 3.2Å; I123-F126 PolarHBondContact O-N 3.19Å; F126-G128 VanDerWaalsContact C-N 3.35Å; F126-G128 PolarHBondContact O-N 3.41Å; F126-I129 PolarHBondContact O-N 3.18Å; F126-C130 HydrophobicContact CD2-CB 4.12Å; F126-C130 HydrophobicContact CE2-CB 3.71Å; F126-C130 VanDerWaalsContact CE2-SG 3.55Å; F126-C130 HydrophobicContact CZ-CB 4.11Å; F126-C130 WeakPolarHBondContact O-CB 3.43Å; F126-C130 PolarHBondContact O-N 2.79Å; F126-H131 AromaticContact CZ-NE2 3.92Å; F126-C211 HydrophobicContact CB-CB 4.1Å; F126-C211 HydrophobicContact CD2-CB 4.42Å; F126-C211 HydrophobicContact CG-CB 4.24Å; F126-L214 HydrophobicContact CD2-CB 4.34Å; F126-L214 HydrophobicContact CE2-CB 3.72Å; F126-L214 HydrophobicContact CE2-CD1 3.81Å; F126-L214 HydrophobicContact CE2-CG 4.44Å; F126-L214 HydrophobicContact CZ-CD1 4Å; F126-M215 HydrophobicContact CB-CE 4.04Å
127L88.9Confident85.7Confident39 Ų3944.9 Ų44.920%0.20424%0.243CC..Hα-helixtrans-61.2-42.1176.7-68.6174.8000112.3I123 R125 I129 H131 V139I123-L127 HydrophobicContact CG2-CD1 4.03Å; I123-L127 HydrophobicContact CG2-CG 4.28Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 2.61Å; R125-L127 VanDerWaalsContact C-N 3.32Å; R125-L127 PolarHBondContact O-N 2.88Å; L127-I129 VanDerWaalsContact C-N 3.27Å; L127-I129 PolarHBondContact O-N 3Å; L127-H131 CarbonylContact O-C 3.59Å; L127-H131 WeakPolarHBondContact O-CA 3.39Å; L127-H131 PolarHBondContact O-N 2.83Å; L127-H131 VanDerWaalsContact O-O 3.08Å; L127-V139 HydrophobicContact CB-CG2 4.5Å
128G85.3Confident84.4Confident31 Ų3152.5 Ų52.532%0.3227%0.272SS..Hα-helixtrans-66.9-25.8178.900000114.4H124 R125 F126H124-G128 PolarHBondContact O-N 3.42Å; R125-G128 PolarHBondContact O-N 3.29Å; R125-G128 VanDerWaalsContact O-N 3.14Å; F126-G128 VanDerWaalsContact C-N 3.35Å; F126-G128 PolarHBondContact O-N 3.41Å
129I83.7Confident83.7Confident9 Ų954.3 Ų54.35%0.04628%0.283CS..Hα-helixtrans-93.3-65.1180-63.7155.2000108.2R125 F126 L127 H131 P132 M215 L219 W224 S248R125-I129 HydrophobicContact CB-CD1 4.29Å; R125-I129 VanDerWaalsContact O-CD1 3.29Å; R125-I129 WeakPolarHBondContact O-CD1 3.4Å; R125-I129 VanDerWaalsContact O-CG1 3.3Å; R125-I129 WeakPolarHBondContact O-CG1 3.49Å; R125-I129 PolarHBondContact O-N 3.24Å; F126-I129 PolarHBondContact O-N 3.18Å; L127-I129 VanDerWaalsContact C-N 3.27Å; L127-I129 PolarHBondContact O-N 3Å; I129-H131 VanDerWaalsContact C-N 3.33Å; I129-H131 PolarHBondContact O-N 3.2Å; I129-P132 WeakPolarHBondContact O-CD 3.39Å; I129-M215 HydrophobicContact CB-CG 4.47Å; I129-M215 HydrophobicContact CD1-CE 4.1Å; I129-M215 HydrophobicContact CD1-CG 3.49Å; I129-M215 VanDerWaalsContact CD1-CG 3.49Å; I129-M215 HydrophobicContact CD1-SD 3.28Å; I129-M215 WeakPolarHBondContact CD1-SD 3.28Å; I129-M215 HydrophobicContact CG2-CG 4.17Å; I129-L219 HydrophobicContact CG2-CD2 4.16Å; I129-L219 HydrophobicContact CG2-CG 4.49Å; I129-W224 HydrophobicContact CB-CZ2 4.24Å; I129-W224 HydrophobicContact CG2-CH2 4.14Å; I129-W224 HydrophobicContact CG2-CZ2 3.31Å; I129-W224 WeakPolarHBondContact O-CH2 3.4Å; I129-W224 WeakPolarHBondContact O-CZ2 3.33Å; I129-S248 VanDerWaalsContact CD1-CB 3.43Å; I129-S248 WeakPolarHBondContact CD1-OG 3.25Å
130C84.9Confident83.4Confident22 Ų2255.8 Ų55.815%0.14929%0.293CS..Hα-helixtrans-74.4-19.7-170.6-60.80000114F126F126-C130 HydrophobicContact CD2-CB 4.12Å; F126-C130 HydrophobicContact CE2-CB 3.71Å; F126-C130 VanDerWaalsContact CE2-SG 3.55Å; F126-C130 HydrophobicContact CZ-CB 4.11Å; F126-C130 WeakPolarHBondContact O-CB 3.43Å; F126-C130 PolarHBondContact O-N 2.79Å
131H83.7Confident83.2Confident72 Ų7256.4 Ų56.433%0.33330%0.3SS..  trans-139.261-176.2-59.3-62.5000113.3F126 L127 I129 V133 R134 S135F126-H131 AromaticContact CZ-NE2 3.92Å; L127-H131 CarbonylContact O-C 3.59Å; L127-H131 WeakPolarHBondContact O-CA 3.39Å; L127-H131 PolarHBondContact O-N 2.83Å; L127-H131 VanDerWaalsContact O-O 3.08Å; I129-H131 VanDerWaalsContact C-N 3.33Å; I129-H131 PolarHBondContact O-N 3.2Å; H131-V133 VanDerWaalsContact C-N 3.34Å; H131-V133 PolarHBondContact O-N 3.4Å; H131-R134 HydrophobicContact CB-CB 4.24Å; H131-R134 PolarHBondContact O-N 2.9Å; H131-R134 VanDerWaalsContact O-N 3.17Å; H131-S135 WeakPolarHBondContact O-CB 3.36Å; H131-S135 PolarHBondContact O-N 3.2Å
132P78.4Confident83.2Confident54 Ų5465 Ų6535%0.35133%0.332SS..Hα-helixtrans-61-37.5-169.924.5-33.6000113.6I129 S135 L136I129-P132 WeakPolarHBondContact O-CD 3.39Å; P132-S135 WeakPolarHBondContact O-CB 2.95Å; P132-S135 PolarHBondContact O-N 2.91Å; P132-L136 PolarHBondContact O-N 3.22Å
133V75.4Confident83.2Confident118 Ų11870.8 Ų70.872%0.71535%0.354SS*.Hα-helixtrans-67.4-42.6178-1780000111.8H131 S135 L136H131-V133 VanDerWaalsContact C-N 3.34Å; H131-V133 PolarHBondContact O-N 3.4Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-L136 PolarHBondContact O-N 3.49Å
134R73.1Confident83.4Confident167 Ų16767.8 Ų67.863%0.6334%0.339SS*.Hα-helixtrans-70.2-31.9175.1-67-175178.3172-0.8111.7H131 L136 S137 W138H131-R134 HydrophobicContact CB-CB 4.24Å; H131-R134 PolarHBondContact O-N 2.9Å; H131-R134 VanDerWaalsContact O-N 3.17Å; R134-L136 VanDerWaalsContact C-N 3.29Å; R134-L136 PolarHBondContact O-N 2.99Å; R134-S137 PolarHBondContact O-N 3.27Å; R134-S137 PolarHBondContact O-OG 3.5Å; R134-W138 WeakPolarHBondContact O-CB 3.23Å; R134-W138 PolarHBondContact O-N 3.43Å
135S77.8Confident83.7Confident21 Ų2173.6 Ų73.615%0.14736%0.36CS..Hα-helixtrans-58.2-39.6176.9-1770000112H131 P132 V133 S137 W138 V139H131-S135 WeakPolarHBondContact O-CB 3.36Å; H131-S135 PolarHBondContact O-N 3.2Å; P132-S135 WeakPolarHBondContact O-CB 2.95Å; P132-S135 PolarHBondContact O-N 2.91Å; V133-S135 VanDerWaalsContact C-N 3.33Å; S135-S137 VanDerWaalsContact C-N 3.26Å; S135-S137 PolarHBondContact O-N 2.89Å; S135-W138 PolarHBondContact O-N 3.24Å; S135-V139 WeakPolarHBondContact O-CB 3.16Å; S135-V139 PolarHBondContact O-N 2.97Å; S135-V139 WeakPolarHBondContact OG-CG2 3.1Å
136L71.5Confident84.1Confident150 Ų15077 Ų7779%0.78538%0.381SS*.Hα-helixtrans-55.8-37.6178.2-76.1156.8000113.4P132 V133 R134P132-L136 PolarHBondContact O-N 3.22Å; V133-L136 PolarHBondContact O-N 3.49Å; R134-L136 VanDerWaalsContact C-N 3.29Å; R134-L136 PolarHBondContact O-N 2.99Å
137S68.3Low84.4Confident71 Ų7178.4 Ų78.450%0.49739%0.391SS..Hα-helixtrans-92.9-28.1178.757.60000113.3R134 S135 R143R134-S137 PolarHBondContact O-N 3.27Å; R134-S137 PolarHBondContact O-OG 3.5Å; S135-S137 VanDerWaalsContact C-N 3.26Å; S135-S137 PolarHBondContact O-N 2.89Å; S137-R143 PolarHBondContact O-NH1 3.46Å; S137-R143 PolarHBondContact O-NH2 3.42Å
138W69.6Low84.9Confident160 Ų16076.8 Ų76.861%0.60638%0.383SS*.Hα-helixtrans-91.7-24.8-174.4-75.339.8000114.9R134 S135 R143R134-W138 WeakPolarHBondContact O-CB 3.23Å; R134-W138 PolarHBondContact O-N 3.43Å; S135-W138 PolarHBondContact O-N 3.24Å; W138-R143 VanDerWaalsContact O-CD 3.25Å; W138-R143 WeakPolarHBondContact O-CD 3.27Å
139V80.4Confident85.5Confident38 Ų3880.1 Ų80.123%0.2340%0.397CS..  trans-104.388.6-172176.90000109.8P61 H124 L127 S135P61-V139 HydrophobicContact CB-CG1 4.12Å; P61-V139 HydrophobicContact CG-CG1 3.8Å; H124-V139 WeakPolarHBondContact CD2-CG1 2.79Å; H124-V139 WeakPolarHBondContact NE2-CG1 3.22Å; L127-V139 HydrophobicContact CB-CG2 4.5Å; S135-V139 WeakPolarHBondContact O-CB 3.16Å; S135-V139 PolarHBondContact O-N 2.97Å; S135-V139 WeakPolarHBondContact OG-CG2 3.1Å
140S88.8Confident86.2Confident43 Ų4382.5 Ų82.530%0.30142%0.418SS..  trans-125.5151.8176.981.50000112.6R142 R143 A144S140-R142 PolarHBondContact O-N 3.26Å; S140-R143 PolarHBondContact O-N 2.91Å; S140-R143 WeakPolarHBondContact OG-CG 3.08Å; S140-R143 PolarHBondContact OG-N 3.46Å; S140-A144 PolarHBondContact O-N 3.11Å
141A90.4Very high86.9Confident31 Ų3182.2 Ų82.226%0.25642%0.416SS..Hα-helixtrans-62.9-27.7179.300000112.4I64 R145I64-A141 HydrophobicContact CD1-CB 3.8Å; I64-A141 VanDerWaalsContact CD1-O 3.29Å; I64-A141 WeakPolarHBondContact CD1-O 3.23Å; A141-R145 WeakPolarHBondContact O-CG 3.42Å; A141-R145 PolarHBondContact O-N 2.91Å; A141-R145 PolarHBondContact O-NE 3.44Å
142R92.9Very high87.6Confident183 Ų18381.3 Ų81.369%0.69141%0.409SS*.Hα-helixtrans-68.1-48.4173.8-174.1177.5-179.1173.80.3110.9S140 A144 R145 L146S140-R142 PolarHBondContact O-N 3.26Å; R142-A144 PolarHBondContact O-N 3.34Å; R142-R145 PolarHBondContact O-N 3.38Å; R142-L146 WeakPolarHBondContact O-CG 3.31Å; R142-L146 PolarHBondContact O-N 2.84Å; R142-L146 VanDerWaalsContact O-N 3.1Å
143R93.3Very high88.5Confident120 Ų12081.4 Ų81.445%0.45342%0.415SS..Hα-helixtrans-63-41.6177.9-70.6177.8-173.2-162.89.3111.6S137 W138 S140 R145 L146 V147S137-R143 PolarHBondContact O-NH1 3.46Å; S137-R143 PolarHBondContact O-NH2 3.42Å; W138-R143 VanDerWaalsContact O-CD 3.25Å; W138-R143 WeakPolarHBondContact O-CD 3.27Å; S140-R143 PolarHBondContact O-N 2.91Å; S140-R143 WeakPolarHBondContact OG-CG 3.08Å; S140-R143 PolarHBondContact OG-N 3.46Å; R143-R145 VanDerWaalsContact C-N 3.31Å; R143-R145 PolarHBondContact O-N 3.47Å; R143-L146 PolarHBondContact O-N 3.37Å; R143-L146 VanDerWaalsContact O-N 3.16Å; R143-V147 WeakPolarHBondContact O-CG2 3.5Å; R143-V147 PolarHBondContact O-N 2.89Å
144A95Very high89.6Confident2 Ų278.2 Ų78.22%0.01740%0.397CS..Hα-helixtrans-60.9-37.4176.400000113.2P61 I64 Y65 S140 R142 S148P61-A144 HydrophobicContact CB-CB 3.75Å; P61-A144 HydrophobicContact CG-CB 4.35Å; I64-A144 HydrophobicContact CB-CB 4.32Å; I64-A144 HydrophobicContact CD1-CB 3.96Å; I64-A144 HydrophobicContact CG2-CB 4.33Å; Y65-A144 HydrophobicContact CE1-CB 4.05Å; Y65-A144 WeakPolarHBondContact CE1-O 3.26Å; Y65-A144 HydrophobicContact CE2-CB 4.32Å; S140-A144 PolarHBondContact O-N 3.11Å; R142-A144 PolarHBondContact O-N 3.34Å; A144-S148 WeakPolarHBondContact O-CB 3.18Å; A144-S148 PolarHBondContact O-N 2.99Å; A144-S148 PolarHBondContact O-OG 3.4Å
145R96.6Very high90.9Very high146 Ų14670.2 Ų70.255%0.55137%0.367SS*.Hα-helixtrans-64.1-47.2172.5-77.8-179.4-75.8149.2-10.2111.8I64 A141 R142 R143 V147 S148 V149I64-R145 HydrophobicContact CD1-CG 3.99Å; I64-R145 HydrophobicContact CG1-CG 4.45Å; I64-R145 HydrophobicContact CG2-CG 4.11Å; A141-R145 WeakPolarHBondContact O-CG 3.42Å; A141-R145 PolarHBondContact O-N 2.91Å; A141-R145 PolarHBondContact O-NE 3.44Å; R142-R145 PolarHBondContact O-N 3.38Å; R143-R145 VanDerWaalsContact C-N 3.31Å; R143-R145 PolarHBondContact O-N 3.47Å; R145-V147 PolarHBondContact O-N 2.96Å; R145-S148 PolarHBondContact O-N 3.33Å; R145-S148 VanDerWaalsContact O-N 3.16Å; R145-V149 WeakPolarHBondContact O-CG2 3.29Å; R145-V149 PolarHBondContact O-N 3.05Å
146L97.4Very high91.8Very high112 Ų11273 Ų7359%0.58638%0.379SS*.Hα-helixtrans-60.2-45.4177.6-67.3172.5000111.9R142 R143 S148 V149 A150R142-L146 WeakPolarHBondContact O-CG 3.31Å; R142-L146 PolarHBondContact O-N 2.84Å; R142-L146 VanDerWaalsContact O-N 3.1Å; R143-L146 PolarHBondContact O-N 3.37Å; R143-L146 VanDerWaalsContact O-N 3.16Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.23Å; L146-V149 PolarHBondContact O-N 2.98Å; L146-A150 PolarHBondContact O-N 2.89Å
147V97.7Very high93.1Very high58 Ų5873.7 Ų73.735%0.35238%0.377SS..Hα-helixtrans-60.6-42174.51720000110.8Y65 R143 R145 V149 A150 V151Y65-V147 HydrophobicContact CE1-CB 4.22Å; Y65-V147 HydrophobicContact CE1-CG1 3.99Å; R143-V147 WeakPolarHBondContact O-CG2 3.5Å; R143-V147 PolarHBondContact O-N 2.89Å; R145-V147 PolarHBondContact O-N 2.96Å; V147-V149 PolarHBondContact O-N 3.06Å; V147-A150 WeakPolarHBondContact O-CB 3.42Å; V147-A150 PolarHBondContact O-N 2.8Å; V147-V151 HydrophobicContact CG1-CG2 4.32Å; V147-V151 WeakPolarHBondContact O-CG2 3.4Å; V147-V151 PolarHBondContact O-N 3.3Å
148S98.3Very high94.5Very high4 Ų471.6 Ų71.63%0.02836%0.362CS..Hα-helixtrans-63.9-40.3178.4-55.80000112.2Y65 N68 A144 R145 L146 A150 V151 W152Y65-S148 WeakPolarHBondContact CD1-OG 3.27Å; N68-S148 PolarHBondContact ND2-OG 2.7Å; A144-S148 WeakPolarHBondContact O-CB 3.18Å; A144-S148 PolarHBondContact O-N 2.99Å; A144-S148 PolarHBondContact O-OG 3.4Å; R145-S148 PolarHBondContact O-N 3.33Å; R145-S148 VanDerWaalsContact O-N 3.16Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.23Å; S148-A150 VanDerWaalsContact C-N 3.34Å; S148-V151 PolarHBondContact O-N 2.93Å; S148-W152 VanDerWaalsContact O-CD1 3.23Å; S148-W152 PolarHBondContact O-N 3Å
149V98.5Very high95.9Very high101 Ų10164 Ų6461%0.61233%0.333SS*.Hα-helixtrans-62.1-43.3173.4171.90000110.8R145 L146 V147 W152 A153R145-V149 WeakPolarHBondContact O-CG2 3.29Å; R145-V149 PolarHBondContact O-N 3.05Å; L146-V149 PolarHBondContact O-N 2.98Å; V147-V149 PolarHBondContact O-N 3.06Å; V149-W152 PolarHBondContact O-N 2.93Å; V149-A153 WeakPolarHBondContact O-CB 3.46Å; V149-A153 PolarHBondContact O-N 2.79Å
150A98.6Very high96.7Very high60 Ų6064.3 Ų64.350%0.49634%0.34SS..Hα-helixtrans-63.8-40.1176.600000112.4L146 V147 S148 A153 C154L146-A150 PolarHBondContact O-N 2.89Å; V147-A150 WeakPolarHBondContact O-CB 3.42Å; V147-A150 PolarHBondContact O-N 2.8Å; S148-A150 VanDerWaalsContact C-N 3.34Å; A150-A153 PolarHBondContact O-N 3.41Å; A150-C154 VanDerWaalsContact O-CB 3.27Å; A150-C154 WeakPolarHBondContact O-CB 3.48Å; A150-C154 PolarHBondContact O-N 3.27Å
151V98.6Very high97.1Very high15 Ų1564.4 Ų64.49%0.09134%0.339CS..Hα-helixtrans-61.7-47.8174.4169.40000110.5L116 F117 V147 S148 C154 V155L116-V151 HydrophobicContact CB-CG1 3.74Å; L116-V151 HydrophobicContact CD1-CG1 4.09Å; F117-V151 HydrophobicContact CD1-CG1 4.38Å; F117-V151 HydrophobicContact CD2-CG1 4.21Å; F117-V151 HydrophobicContact CE1-CB 4.12Å; F117-V151 HydrophobicContact CE1-CG1 3.95Å; F117-V151 HydrophobicContact CE2-CG1 3.75Å; F117-V151 HydrophobicContact CG-CG1 4.48Å; F117-V151 HydrophobicContact CZ-CB 3.96Å; F117-V151 HydrophobicContact CZ-CG1 3.58Å; V147-V151 HydrophobicContact CG1-CG2 4.32Å; V147-V151 WeakPolarHBondContact O-CG2 3.4Å; V147-V151 PolarHBondContact O-N 3.3Å; S148-V151 PolarHBondContact O-N 2.93Å; V151-C154 WeakPolarHBondContact O-CB 3.39Å; V151-C154 PolarHBondContact O-N 3.43Å; V151-V155 HydrophobicContact CG1-CG2 4.28Å; V151-V155 WeakPolarHBondContact O-CB 3.38Å; V151-V155 VanDerWaalsContact O-CG2 3.25Å; V151-V155 WeakPolarHBondContact O-CG2 3.5Å; V151-V155 PolarHBondContact O-N 3.34Å
152W98.6Very high97.4Very high53 Ų5363.1 Ų63.120%0.20133%0.328CS..Hα-helixtrans-60-47.8175.9-84113.5000112.2N68 M71 C72 L75 F117 S148 V149 C154 V155 L156N68-W152 PolarHBondContact OD1-NE1 3.2Å; M71-W152 HydrophobicContact CB-CZ2 4.32Å; C72-W152 HydrophobicContact CB-CH2 4.46Å; C72-W152 WeakPolarHBondContact SG-CH2 3.19Å; C72-W152 VanDerWaalsContact SG-CZ2 3.5Å; L75-W152 HydrophobicContact CD1-CH2 4.11Å; F117-W152 HydrophobicContact CE2-CZ2 4.44Å; F117-W152 AromaticContact CE2-NE1 3.95Å; F117-W152 AromaticContact CZ-CD1 3.89Å; F117-W152 AromaticContact CZ-NE1 3.71Å; S148-W152 VanDerWaalsContact O-CD1 3.23Å; S148-W152 PolarHBondContact O-N 3Å; V149-W152 PolarHBondContact O-N 2.93Å; W152-C154 VanDerWaalsContact C-N 3.3Å; W152-C154 PolarHBondContact O-N 2.94Å; W152-V155 PolarHBondContact O-N 3.31Å; W152-L156 HydrophobicContact CE3-CG 4.47Å; W152-L156 WeakPolarHBondContact O-CB 3.41Å; W152-L156 WeakPolarHBondContact O-CG 3.32Å; W152-L156 PolarHBondContact O-N 2.8Å
153A98.7Very high97.6Very high57 Ų5758.1 Ų58.147%0.47131%0.314SS..Hα-helixtrans-57.8-44.5177.200000111.5V149 A150 F157V149-A153 WeakPolarHBondContact O-CB 3.46Å; V149-A153 PolarHBondContact O-N 2.79Å; A150-A153 PolarHBondContact O-N 3.41Å; A153-F157 WeakPolarHBondContact O-CB 3.43Å; A153-F157 PolarHBondContact O-N 3.43Å
154C98.6Very high97.7Very high50 Ų5059.5 Ų59.534%0.33832%0.321SS..Hα-helixtrans-61.3-48.2176.1-178.10000112.1A150 V151 W152 F157 C158A150-C154 VanDerWaalsContact O-CB 3.27Å; A150-C154 WeakPolarHBondContact O-CB 3.48Å; A150-C154 PolarHBondContact O-N 3.27Å; V151-C154 WeakPolarHBondContact O-CB 3.39Å; V151-C154 PolarHBondContact O-N 3.43Å; W152-C154 VanDerWaalsContact C-N 3.3Å; W152-C154 PolarHBondContact O-N 2.94Å; C154-F157 PolarHBondContact O-N 3.05Å; C154-C158 VanDerWaalsContact O-CB 3.25Å; C154-C158 WeakPolarHBondContact O-CB 3.22Å; C154-C158 PolarHBondContact O-N 2.81Å; C154-C158 PolarHBondContact O-SG 3.38Å
155V98.5Very high97.7Very high0 Ų060.1 Ų60.10%032%0.323CS..Hα-helixtrans-60.9-51.5178.41710000110.6A109 L116 V151 W152 F157 C158 Q159 M200A109-V155 HydrophobicContact CB-CG1 3.96Å; L116-V155 HydrophobicContact CD1-CG2 3.95Å; V151-V155 HydrophobicContact CG1-CG2 4.28Å; V151-V155 WeakPolarHBondContact O-CB 3.38Å; V151-V155 VanDerWaalsContact O-CG2 3.25Å; V151-V155 WeakPolarHBondContact O-CG2 3.5Å; V151-V155 PolarHBondContact O-N 3.34Å; W152-V155 PolarHBondContact O-N 3.31Å; V155-F157 VanDerWaalsContact C-N 3.33Å; V155-F157 PolarHBondContact O-N 3.47Å; V155-C158 PolarHBondContact O-N 3.05Å; V155-Q159 HydrophobicContact CG1-CG 4.29Å; V155-Q159 VanDerWaalsContact O-CB 3.29Å; V155-Q159 WeakPolarHBondContact O-CB 3.41Å; V155-Q159 VanDerWaalsContact O-CG 3.25Å; V155-Q159 WeakPolarHBondContact O-CG 3.4Å; V155-Q159 PolarHBondContact O-N 3.1Å; V155-M200 HydrophobicContact CG2-CE 3.89Å
156L98.3Very high97.7Very high78 Ų7853.2 Ų53.241%0.40830%0.298SS..Hα-helixtrans-61.9-42.5-178.4-64.8174.1000111.3F105 W152 A160F105-L156 HydrophobicContact CE1-CD2 4Å; F105-L156 HydrophobicContact CZ-CD2 3.6Å; W152-L156 HydrophobicContact CE3-CG 4.47Å; W152-L156 WeakPolarHBondContact O-CB 3.41Å; W152-L156 WeakPolarHBondContact O-CG 3.32Å; W152-L156 PolarHBondContact O-N 2.8Å; L156-A160 WeakPolarHBondContact O-CB 3.15Å; L156-A160 PolarHBondContact O-N 2.89Å
157F98.3Very high97.5Very high165 Ų16551.7 Ų51.772%0.72428%0.284SS*.Hα-helixtrans-63.5-53176.4176.9-99.9000111.9A153 C154 V155 Q159 A160A153-F157 WeakPolarHBondContact O-CB 3.43Å; A153-F157 PolarHBondContact O-N 3.43Å; C154-F157 PolarHBondContact O-N 3.05Å; V155-F157 VanDerWaalsContact C-N 3.33Å; V155-F157 PolarHBondContact O-N 3.47Å; F157-Q159 VanDerWaalsContact C-N 3.26Å; F157-Q159 PolarHBondContact O-N 2.99Å; F157-A160 PolarHBondContact O-N 3.36Å
158C98.1Very high97.3Very high27 Ų2749.8 Ų49.818%0.18227%0.273CS..Hα-helixtrans-65.5-28.2-178.4-70.70000112.8C154 V155 Y192 M200C154-C158 VanDerWaalsContact O-CB 3.25Å; C154-C158 WeakPolarHBondContact O-CB 3.22Å; C154-C158 PolarHBondContact O-N 2.81Å; C154-C158 PolarHBondContact O-SG 3.38Å; V155-C158 PolarHBondContact O-N 3.05Å; C158-Y192 WeakPolarHBondContact O-CE2 3.3Å; C158-Y192 PolarHBondContact O-OH 3.46Å; C158-M200 HydrophobicContact CB-CE 4.39Å; C158-M200 HydrophobicContact CB-SD 4.43Å
159Q97.8Very high97Very high1 Ų156.2 Ų56.21%0.00530%0.296CS..Hα-helixtrans-94.6-11.1178.9-59.1-36.2-65.600113.9F105 Y112 V155 F157 P161 I162 Y192F105-Q159 HydrophobicContact CD2-CB 4.02Å; F105-Q159 WeakPolarHBondContact CD2-O 3.05Å; F105-Q159 HydrophobicContact CE2-CB 3.72Å; Y112-Q159 HydrophobicContact CD2-CG 4.22Å; Y112-Q159 VanDerWaalsContact CD2-NE2 3.31Å; V155-Q159 HydrophobicContact CG1-CG 4.29Å; V155-Q159 VanDerWaalsContact O-CB 3.29Å; V155-Q159 WeakPolarHBondContact O-CB 3.41Å; V155-Q159 VanDerWaalsContact O-CG 3.25Å; V155-Q159 WeakPolarHBondContact O-CG 3.4Å; V155-Q159 PolarHBondContact O-N 3.1Å; F157-Q159 VanDerWaalsContact C-N 3.26Å; F157-Q159 PolarHBondContact O-N 2.99Å; Q159-P161 VanDerWaalsContact C-N 3.28Å; Q159-I162 WeakPolarHBondContact O-CB 3.36Å; Q159-I162 VanDerWaalsContact O-CG1 3.28Å; Q159-I162 WeakPolarHBondContact O-CG1 3.49Å; Q159-I162 PolarHBondContact O-N 3.25Å; Q159-Y192 PolarHBondContact OE1-OH 3.21Å
160A97.8Very high96.5Very high45 Ų4556 Ų5637%0.37229%0.292SS..THydrogen-bonded Turntrans-52.3-38.5178.300000113.7L156 F157 I162 L163L156-A160 WeakPolarHBondContact O-CB 3.15Å; L156-A160 PolarHBondContact O-N 2.89Å; F157-A160 PolarHBondContact O-N 3.36Å; A160-I162 PolarHBondContact O-N 2.99Å; A160-I162 VanDerWaalsContact O-N 3.09Å; A160-L163 WeakPolarHBondContact O-CB 3.37Å; A160-L163 PolarHBondContact O-N 3.37Å
161P97.4Very high95.9Very high45 Ų4555.6 Ų55.629%0.29228%0.283SS..THydrogen-bonded Turntrans-59.5-21.3176.1-26.236.7000114.5Q159 L163 Y164 F165 Y192Q159-P161 VanDerWaalsContact C-N 3.28Å; P161-L163 PolarHBondContact O-N 3.38Å; P161-Y164 WeakPolarHBondContact O-CA 3.49Å; P161-Y164 WeakPolarHBondContact O-CB 3.38Å; P161-Y164 PolarHBondContact O-N 3.35Å; P161-F165 HydrophobicContact CB-CD2 4.16Å; P161-F165 HydrophobicContact CB-CE2 4.03Å; P161-F165 WeakPolarHBondContact O-CD2 3.17Å; P161-F165 PolarHBondContact O-N 3.3Å; P161-Y192 HydrophobicContact CB-CD2 4.03Å; P161-Y192 HydrophobicContact CB-CE2 3.66Å; P161-Y192 HydrophobicContact CG-CD2 4.16Å; P161-Y192 HydrophobicContact CG-CE2 3.67Å
162I96.8Very high95.3Very high4 Ų465 Ų652%0.02132%0.322CS..Hα-helixtrans-57.5-33.3172.4-60.3-61.2000111.3R104 F105 Y108 Q159 A160 Y164 F165 A166 F189 Y192R104-I162 HydrophobicContact CB-CG2 3.89Å; F105-I162 HydrophobicContact CB-CG2 4.28Å; Y108-I162 HydrophobicContact CD2-CD1 3.54Å; Y108-I162 HydrophobicContact CD2-CG1 3.77Å; Y108-I162 HydrophobicContact CD2-CG2 4.12Å; Y108-I162 HydrophobicContact CE2-CD1 3.75Å; Y108-I162 HydrophobicContact CE2-CG1 4.46Å; Y108-I162 HydrophobicContact CG-CD1 4.3Å; Y108-I162 HydrophobicContact CG-CG1 4.37Å; Q159-I162 WeakPolarHBondContact O-CB 3.36Å; Q159-I162 VanDerWaalsContact O-CG1 3.28Å; Q159-I162 WeakPolarHBondContact O-CG1 3.49Å; Q159-I162 PolarHBondContact O-N 3.25Å; A160-I162 PolarHBondContact O-N 2.99Å; A160-I162 VanDerWaalsContact O-N 3.09Å; I162-Y164 PolarHBondContact O-N 3.03Å; I162-F165 PolarHBondContact O-N 2.96Å; I162-A166 HydrophobicContact CG2-CB 4.28Å; I162-A166 WeakPolarHBondContact O-CB 3.36Å; I162-A166 PolarHBondContact O-N 3.33Å; I162-F189 HydrophobicContact CD1-CE2 4.03Å; I162-Y192 HydrophobicContact CD1-CE1 3.59Å; I162-Y192 WeakPolarHBondContact CD1-OH 3.46Å; I162-Y192 HydrophobicContact CG1-CE1 4.41Å; I162-Y192 WeakPolarHBondContact CG1-OH 3.49Å
163L96.3Very high94.6Very high77 Ų7768.7 Ų68.740%0.40335%0.351SS..Hα-helixtrans-67.7-21.2177.4-61.4172.7000112.8K101 F105 A160 P161K101-L163 HydrophobicContact CB-CD2 4.06Å; K101-L163 VanDerWaalsContact CD-O 3.23Å; K101-L163 WeakPolarHBondContact CD-O 3.47Å; K101-L163 WeakPolarHBondContact CE-O 3.47Å; F105-L163 HydrophobicContact CB-CD2 3.75Å; F105-L163 HydrophobicContact CB-CG 4.35Å; F105-L163 HydrophobicContact CD2-CD1 4.39Å; F105-L163 HydrophobicContact CD2-CD2 4.29Å; F105-L163 HydrophobicContact CD2-CG 4.03Å; F105-L163 HydrophobicContact CG-CD2 4.07Å; F105-L163 HydrophobicContact CG-CG 4.32Å; A160-L163 WeakPolarHBondContact O-CB 3.37Å; A160-L163 PolarHBondContact O-N 3.37Å; P161-L163 PolarHBondContact O-N 3.38Å
164Y95.6Very high94.1Very high150 Ų15070.2 Ų70.259%0.58835%0.348SS*.Hα-helixtrans-85-46.5172.1173-102.9000111.5P161 I162 L185P161-Y164 WeakPolarHBondContact O-CA 3.49Å; P161-Y164 WeakPolarHBondContact O-CB 3.38Å; P161-Y164 PolarHBondContact O-N 3.35Å; I162-Y164 PolarHBondContact O-N 3.03Å; Y164-L185 HydrophobicContact CE1-CD1 4.26Å; Y164-L185 HydrophobicContact CE1-CD2 4.18Å
165F95.8Very high93.8Very high14 Ų1472.2 Ų72.26%0.06135%0.349CS..Hα-helixtrans-76.7-36.1-175.1-70.7-65.6000114.5P161 I162 R167 T181 L185 D188 F189 Y192P161-F165 HydrophobicContact CB-CD2 4.16Å; P161-F165 HydrophobicContact CB-CE2 4.03Å; P161-F165 WeakPolarHBondContact O-CD2 3.17Å; P161-F165 PolarHBondContact O-N 3.3Å; I162-F165 PolarHBondContact O-N 2.96Å; F165-R167 PolarHBondContact O-N 3.23Å; F165-T181 PolarHBondContact O-OG1 3.16Å; F165-T181 VanDerWaalsContact O-OG1 3.06Å; F165-L185 HydrophobicContact CD1-CB 4.11Å; F165-L185 HydrophobicContact CD1-CD1 4.41Å; F165-L185 HydrophobicContact CE1-CB 4.29Å; F165-D188 HydrophobicContact CE1-CB 3.93Å; F165-D188 HydrophobicContact CZ-CB 4.08Å; F165-F189 HydrophobicContact CB-CD2 3.69Å; F165-F189 HydrophobicContact CB-CE2 4.12Å; F165-F189 HydrophobicContact CD1-CB 3.87Å; F165-F189 HydrophobicContact CD1-CD2 4.01Å; F165-F189 HydrophobicContact CD1-CG 4.4Å; F165-F189 AromaticContact CD2-CD2 3.69Å; F165-F189 HydrophobicContact CD2-CD2 3.69Å; F165-F189 HydrophobicContact CD2-CE2 4.41Å; F165-F189 HydrophobicContact CE1-CB 3.9Å; F165-F189 HydrophobicContact CE2-CD2 4.27Å; F165-F189 HydrophobicContact CG-CB 4.29Å; F165-F189 AromaticContact CG-CD2 3.54Å; F165-F189 HydrophobicContact CG-CD2 3.54Å; F165-F189 HydrophobicContact CG-CE2 4.36Å; F165-F189 HydrophobicContact CG-CG 4.36Å; F165-F189 HydrophobicContact CZ-CB 4.34Å; F165-Y192 HydrophobicContact CD2-CD1 4.06Å; F165-Y192 HydrophobicContact CD2-CE1 4.39Å; F165-Y192 AromaticContact CE2-CD1 3.83Å; F165-Y192 HydrophobicContact CE2-CD1 3.83Å; F165-Y192 AromaticContact CE2-CG 3.88Å; F165-Y192 HydrophobicContact CE2-CG 3.88Å
166A95.4Very high93.5Very high2 Ų274.4 Ų74.42%0.01736%0.36CS..  trans-67.9131.1177.500000109.3K101 R104 I162K101-A166 HydrophobicContact CB-CB 4.49Å; K101-A166 WeakPolarHBondContact CE-O 3.48Å; K101-A166 HydrophobicContact CG-CB 3.98Å; K101-A166 WeakPolarHBondContact CG-O 3.24Å; R104-A166 HydrophobicContact CB-CB 3.88Å; R104-A166 HydrophobicContact CG-CB 3.99Å; I162-A166 HydrophobicContact CG2-CB 4.28Å; I162-A166 WeakPolarHBondContact O-CB 3.36Å; I162-A166 PolarHBondContact O-N 3.33Å
167R93.6Very high93.3Very high79 Ų7970.8 Ų70.830%0.29834%0.341SS..  trans-156.7162.9-17862.2-163.9-64.8-165.86.7110.9F165 Y178 S182 E184F165-R167 PolarHBondContact O-N 3.23Å; R167-Y178 HydrophobicContact CG-CD2 3.79Å; R167-Y178 HydrophobicContact CG-CE2 4.29Å; R167-Y178 WeakPolarHBondContact O-CD2 3.44Å; R167-Y178 PolarHBondContact O-N 2.84Å; R167-Y178 VanDerWaalsContact O-N 3.16Å; R167-S182 WeakPolarHBondContact CD-OG 3.42Å; R167-S182 PolarHBondContact NH1-OG 2.99Å; R167-E184 IonicContact NH1-OE2 3.02Å
168T94Very high92.8Very high19 Ų1965 Ų6512%0.11732%0.315CS..EExtended strand (participates in β ladder)trans-99.1157.7171.149.60000110.8W93 E97 C100 R175 I176 C177W93-T168 HydrophobicContact CG-CG2 4.44Å; E97-T168 HydrophobicContact CB-CG2 4.22Å; E97-T168 WeakPolarHBondContact CB-OG1 3.28Å; E97-T168 HydrophobicContact CG-CG2 4.29Å; E97-T168 PolarHBondContact OE2-OG1 3.39Å; C100-T168 HydrophobicContact CB-CG2 3.94Å; T168-R175 HydrophobicContact CG2-CG 4.16Å; T168-I176 CarbonylContact C-O 3.48Å; T168-I176 WeakPolarHBondContact CA-O 3.23Å; T168-C177 HydrophobicContact CG2-CB 4.24Å
169R91.1Very high92.1Very high139 Ų13965.2 Ų65.253%0.52531%0.314SS..EExtended strand (participates in β ladder)trans-135.5131.1168.6177.4178.6179.7-175.15.2109.7V171 I176 Y178R169-V171 HydrophobicContact CG-CG2 3.96Å; R169-I176 PolarHBondContact N-O 2.84Å; R169-I176 PolarHBondContact O-N 2.98Å; R169-Y178 HydrophobicContact CB-CE2 3.66Å; R169-Y178 WeakPolarHBondContact CD-OH 3.41Å
170D89.6Confident91.4Very high96 Ų9665.9 Ų65.951%0.51332%0.319SS..EExtended strand (participates in β ladder)trans-82123.2171.8-62.6-24.6000109E174 R175D170-E174 WeakPolarHBondContact CA-O 3.18Å; D170-R175 WeakPolarHBondContact OD1-CB 3.23Å; D170-R175 WeakPolarHBondContact OD1-CG 3.22Å; D170-R175 IonicContact OD1-CZ 2.79Å; D170-R175 IonicContact OD1-NE 3.85Å; D170-R175 PolarHBondContact OD1-NE 2.94Å; D170-R175 IonicContact OD1-NH2 3.9Å; D170-R175 PolarHBondContact OD1-NH2 3.48Å; D170-R175 IonicContact OD2-CZ 3.36Å; D170-R175 IonicContact OD2-NE 2.72Å; D170-R175 IonicContact OD2-NH2 3.19Å; D170-R175 PolarHBondContact OD2-NH2 3.49Å
171V85.2Confident91Very high52 Ų5263.8 Ų63.832%0.31530%0.301SS..EExtended strand (participates in β ladder)trans-124.9105.5178.3-177.80000107.8R169 T173 E174 I176R169-V171 HydrophobicContact CG-CG2 3.96Å; V171-T173 PolarHBondContact O-N 3.19Å; V171-E174 PolarHBondContact N-O 2.69Å; V171-E174 PolarHBondContact O-N 2.99Å; V171-I176 HydrophobicContact CB-CD1 4.28Å; V171-I176 HydrophobicContact CG2-CD1 3.91Å
172K85.4Confident90.4Very high211 Ų21162 Ų6292%0.91729%0.29SS*.THydrogen-bonded Turntrans57.2-104.9-173.5-56.7176.4-179.6176.20111.3
173T84.9Confident90Very high131 Ų13165.5 Ų65.580%0.80432%0.315SS*.THydrogen-bonded Turntrans-105.1-5.8-178.447.90000113V171V171-T173 PolarHBondContact O-N 3.19Å
174E88.1Confident89.6Confident89 Ų8969.9 Ų69.942%0.41633%0.333SS..EExtended strand (participates in β ladder)trans-107.8147.1-175.2-66.6160.9-162.100110.7D92 D170 V171D92-E174 HydrophobicContact CB-CG 4.4Å; D92-E174 WeakPolarHBondContact OD1-CA 3.41Å; D170-E174 WeakPolarHBondContact CA-O 3.18Å; V171-E174 PolarHBondContact N-O 2.69Å; V171-E174 PolarHBondContact O-N 2.99Å
175R91.1Very high89.4Confident93 Ų9363.8 Ų63.835%0.35131%0.31SS..EExtended strand (participates in β ladder)trans-106.9122.1171177.9168.9-73.6140.25.4109.5D92 W93 T168 D170D92-R175 PolarHBondContact OD1-N 2.91Å; W93-R175 WeakPolarHBondContact CA-O 3.29Å; W93-R175 HydrophobicContact CB-CB 4.37Å; W93-R175 HydrophobicContact CB-CG 4.14Å; W93-R175 WeakPolarHBondContact CB-O 3.44Å; W93-R175 PolarHBondContact N-O 3.29Å; T168-R175 HydrophobicContact CG2-CG 4.16Å; D170-R175 WeakPolarHBondContact OD1-CB 3.23Å; D170-R175 WeakPolarHBondContact OD1-CG 3.22Å; D170-R175 IonicContact OD1-CZ 2.79Å; D170-R175 IonicContact OD1-NE 3.85Å; D170-R175 PolarHBondContact OD1-NE 2.94Å; D170-R175 IonicContact OD1-NH2 3.9Å; D170-R175 PolarHBondContact OD1-NH2 3.48Å; D170-R175 IonicContact OD2-CZ 3.36Å; D170-R175 IonicContact OD2-NE 2.72Å; D170-R175 IonicContact OD2-NH2 3.19Å; D170-R175 PolarHBondContact OD2-NH2 3.49Å
176I92.4Very high89.3Confident46 Ų4663.1 Ų63.124%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-103.1127.8-178.9-59.6177.4000109.9Y86 T168 R169 V171Y86-I176 WeakPolarHBondContact OH-CG2 3.39Å; T168-I176 CarbonylContact C-O 3.48Å; T168-I176 WeakPolarHBondContact CA-O 3.23Å; R169-I176 PolarHBondContact N-O 2.84Å; R169-I176 PolarHBondContact O-N 2.98Å; V171-I176 HydrophobicContact CB-CD1 4.28Å; V171-I176 HydrophobicContact CG2-CD1 3.91Å
177C93.9Very high89.2Confident2 Ų266 Ų661%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-90.6106.1168.5170.60000109.7Y86 W93 C100 R104 T168 D179Y86-C177 HydrophobicContact CE2-CB 4.33Å; Y86-C177 PolarHBondContact OH-N 3.1Å; Y86-C177 PolarHBondContact OH-O 2.89Å; Y86-C177 VanDerWaalsContact OH-O 3.1Å; W93-C177 HydrophobicContact CB-CB 4.21Å; W93-C177 HydrophobicContact CD2-CB 3.68Å; W93-C177 HydrophobicContact CE3-CB 3.87Å; W93-C177 HydrophobicContact CG-CB 3.82Å; C100-C177 HydrophobicContact CB-CB 3.88Å; C100-C177 WeakPolarHBondContact CB-SG 3.21Å; C100-C177 WeakPolarHBondContact SG-CB 3.4Å; C100-C177 CovalentContact SG-SG 2.04Å; C100-C177 PolarHBondContact SG-SG 3.47Å; R104-C177 PolarHBondContact NH2-O 3.36Å; T168-C177 HydrophobicContact CG2-CB 4.24Å; C177-D179 PolarHBondContact O-N 3.41Å
178Y89Confident89.3Confident44 Ų4467 Ų6717%0.17333%0.334CS..  trans-54.3137.8-173.5-81.1-66.6000113.2R104 R167 R169 T180R104-Y178 PolarHBondContact NE-O 2.88Å; R104-Y178 VanDerWaalsContact NE-O 3.09Å; R104-Y178 PolarHBondContact NH2-O 3.33Å; R167-Y178 HydrophobicContact CG-CD2 3.79Å; R167-Y178 HydrophobicContact CG-CE2 4.29Å; R167-Y178 WeakPolarHBondContact O-CD2 3.44Å; R167-Y178 PolarHBondContact O-N 2.84Å; R167-Y178 VanDerWaalsContact O-N 3.16Å; R169-Y178 HydrophobicContact CB-CE2 3.66Å; R169-Y178 WeakPolarHBondContact CD-OH 3.41Å; Y178-T180 PolarHBondContact O-N 2.96Å
179D81.9Confident89.4Confident30 Ų3066.2 Ų66.216%0.1633%0.329CS..SBendtrans-70-23.7171.7-84-28.1000114Y87 R104 C177 R303Y87-D179 PolarHBondContact OH-OD1 2.9Å; R104-D179 IonicContact CZ-OD1 2.94Å; R104-D179 VanDerWaalsContact CZ-OD1 3.23Å; R104-D179 IonicContact NH1-OD1 3.02Å; R104-D179 PolarHBondContact NH1-OD1 3.47Å; R104-D179 IonicContact NH2-OD1 3.86Å; R104-D179 PolarHBondContact NH2-OD1 3.41Å; C177-D179 PolarHBondContact O-N 3.41Å; D179-R303 IonicContact OD1-CZ 2.77Å; D179-R303 IonicContact OD1-NH1 3.2Å; D179-R303 PolarHBondContact OD1-NH1 2.94Å; D179-R303 IonicContact OD1-NH2 3.33Å; D179-R303 PolarHBondContact OD1-NH2 2.88Å; D179-R303 IonicContact OD2-NH1 2.84Å; D179-R303 PolarHBondContact OD2-NH1 3.45Å
180T83.4Confident89.6Confident16 Ų1660.6 Ų60.610%0.09831%0.309CS..SBendtrans-127.5-95.5-177.857.20000109Y178 Y274 Y299Y178-T180 PolarHBondContact O-N 2.96Å; T180-Y274 HydrophobicContact CG2-CE1 3.58Å; T180-Y274 WeakPolarHBondContact CG2-OH 3.46Å; T180-Y299 HydrophobicContact CG2-CE1 4.37Å
181T89Confident89.9Confident1 Ų160.7 Ų60.71%0.00631%0.313CS..  trans-152.4175.1173.6-175.10000109.2F165 L185 F186 F189F165-T181 PolarHBondContact O-OG1 3.16Å; F165-T181 VanDerWaalsContact O-OG1 3.06Å; T181-L185 HydrophobicContact CG2-CB 4.27Å; T181-L185 WeakPolarHBondContact OG1-CB 3.39Å; T181-F186 HydrophobicContact CG2-CB 4.38Å; T181-F189 HydrophobicContact CG2-CB 3.53Å; T181-F189 HydrophobicContact CG2-CD1 3.94Å; T181-F189 HydrophobicContact CG2-CD2 4.46Å; T181-F189 HydrophobicContact CG2-CG 3.73Å
182S86.9Confident90.5Very high8 Ų859.9 Ų59.96%0.05630%0.304CS..  trans-62.2152.2168.252.10000111.7R167 E184 L185 F186R167-S182 WeakPolarHBondContact CD-OG 3.42Å; R167-S182 PolarHBondContact NH1-OG 2.99Å; S182-E184 PolarHBondContact O-N 3.35Å; S182-E184 VanDerWaalsContact O-N 3.13Å; S182-L185 PolarHBondContact O-N 2.89Å; S182-F186 PolarHBondContact O-N 3.45Å
183S86.4Confident91Very high77 Ų7750 Ų5054%0.53826%0.262SS..G310 helixtrans-53.7-35.1177.7-56.40000114L185 F186S183-L185 VanDerWaalsContact C-N 3.28Å; S183-L185 PolarHBondContact O-N 3.28Å; S183-F186 WeakPolarHBondContact O-CB 3.26Å; S183-F186 PolarHBondContact O-N 2.81Å
184E88.1Confident91.6Very high168 Ų16846.3 Ų46.379%0.78524%0.241SC*.G310 helixtrans-63.7-29.4179.6-64.7166.4-175.100114R167 S182R167-E184 IonicContact NH1-OE2 3.02Å; S182-E184 PolarHBondContact O-N 3.35Å; S182-E184 VanDerWaalsContact O-N 3.13Å
185L92.5Very high92Very high23 Ų2345.7 Ų45.712%0.1224%0.244CC..G310 helixtrans-105.76.2-176.7-65.9174.6000111.7Y164 F165 T181 S182 S183 D187 F189Y164-L185 HydrophobicContact CE1-CD1 4.26Å; Y164-L185 HydrophobicContact CE1-CD2 4.18Å; F165-L185 HydrophobicContact CD1-CB 4.11Å; F165-L185 HydrophobicContact CD1-CD1 4.41Å; F165-L185 HydrophobicContact CE1-CB 4.29Å; T181-L185 HydrophobicContact CG2-CB 4.27Å; T181-L185 WeakPolarHBondContact OG1-CB 3.39Å; S182-L185 PolarHBondContact O-N 2.89Å; S183-L185 VanDerWaalsContact C-N 3.28Å; S183-L185 PolarHBondContact O-N 3.28Å; L185-D187 PolarHBondContact O-N 3.4Å; L185-F189 VanDerWaalsContact O-CB 3.23Å; L185-F189 WeakPolarHBondContact O-CB 3.47Å; L185-F189 PolarHBondContact O-N 3.28Å
186F93.5Very high92.3Very high0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-65.9-40.2-170.7178.1-104.6000112.3T181 S182 S183 F189 L190 Y274 R277T181-F186 HydrophobicContact CG2-CB 4.38Å; S182-F186 PolarHBondContact O-N 3.45Å; S183-F186 WeakPolarHBondContact O-CB 3.26Å; S183-F186 PolarHBondContact O-N 2.81Å; F186-F189 CarbonylContact O-C 3.27Å; F186-F189 PolarHBondContact O-N 2.88Å; F186-L190 WeakPolarHBondContact O-CB 3.3Å; F186-L190 PolarHBondContact O-N 3.16Å; F186-Y274 HydrophobicContact CE2-CD1 4.26Å; F186-Y274 HydrophobicContact CE2-CG 4.3Å; F186-Y274 HydrophobicContact CZ-CG 4.37Å; F186-R277 HydrophobicContact CE1-CB 4.2Å; F186-R277 HydrophobicContact CE1-CG 3.83Å; F186-R277 HydrophobicContact CZ-CB 3.95Å; F186-R277 HydrophobicContact CZ-CG 3.84Å
187D94.1Very high92.5Very high61 Ų6140.1 Ų40.133%0.32622%0.223SC..Hα-helixtrans-66.9-45.5-177.6-62.9-10.1000111L185 F189 L190 V191 Q281L185-D187 PolarHBondContact O-N 3.4Å; D187-F189 VanDerWaalsContact C-N 3.34Å; D187-F189 PolarHBondContact O-N 3.44Å; D187-L190 WeakPolarHBondContact O-CB 3.3Å; D187-L190 PolarHBondContact O-N 3.29Å; D187-V191 PolarHBondContact O-N 3.42Å; D187-V191 VanDerWaalsContact O-N 3.1Å; D187-Q281 PolarHBondContact OD1-NE2 3.24Å
188D95.4Very high92.7Very high100 Ų10043.9 Ų43.954%0.53525%0.245SC..Hα-helixtrans-61.4-43173.5-68.7-25.4000111.6F165 L190 V191 Y192F165-D188 HydrophobicContact CE1-CB 3.93Å; F165-D188 HydrophobicContact CZ-CB 4.08Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 2.78Å; D188-V191 PolarHBondContact O-N 3.2Å; D188-Y192 WeakPolarHBondContact O-CB 3.38Å; D188-Y192 PolarHBondContact O-N 3.43Å
189F95.4Very high93.1Very high3 Ų346 Ų461%0.01326%0.259CS..Hα-helixtrans-65.8-35.7177.4-178.8-103.2000112.3I162 F165 T181 L185 F186 D187 Y192 S193 Y274I162-F189 HydrophobicContact CD1-CE2 4.03Å; F165-F189 HydrophobicContact CB-CD2 3.69Å; F165-F189 HydrophobicContact CB-CE2 4.12Å; F165-F189 HydrophobicContact CD1-CB 3.87Å; F165-F189 HydrophobicContact CD1-CD2 4.01Å; F165-F189 HydrophobicContact CD1-CG 4.4Å; F165-F189 AromaticContact CD2-CD2 3.69Å; F165-F189 HydrophobicContact CD2-CD2 3.69Å; F165-F189 HydrophobicContact CD2-CE2 4.41Å; F165-F189 HydrophobicContact CE1-CB 3.9Å; F165-F189 HydrophobicContact CE2-CD2 4.27Å; F165-F189 HydrophobicContact CG-CB 4.29Å; F165-F189 AromaticContact CG-CD2 3.54Å; F165-F189 HydrophobicContact CG-CD2 3.54Å; F165-F189 HydrophobicContact CG-CE2 4.36Å; F165-F189 HydrophobicContact CG-CG 4.36Å; F165-F189 HydrophobicContact CZ-CB 4.34Å; T181-F189 HydrophobicContact CG2-CB 3.53Å; T181-F189 HydrophobicContact CG2-CD1 3.94Å; T181-F189 HydrophobicContact CG2-CD2 4.46Å; T181-F189 HydrophobicContact CG2-CG 3.73Å; L185-F189 VanDerWaalsContact O-CB 3.23Å; L185-F189 WeakPolarHBondContact O-CB 3.47Å; L185-F189 PolarHBondContact O-N 3.28Å; F186-F189 CarbonylContact O-C 3.27Å; F186-F189 PolarHBondContact O-N 2.88Å; D187-F189 VanDerWaalsContact C-N 3.34Å; D187-F189 PolarHBondContact O-N 3.44Å; F189-Y192 AromaticContact CD2-CD1 3.93Å; F189-Y192 HydrophobicContact CD2-CD1 3.93Å; F189-Y192 HydrophobicContact CD2-CE1 4.36Å; F189-Y192 HydrophobicContact CE2-CD1 4.14Å; F189-Y192 HydrophobicContact CE2-CE1 4.14Å; F189-S193 WeakPolarHBondContact O-CB 3.26Å; F189-S193 PolarHBondContact O-N 2.93Å; F189-S193 PolarHBondContact O-OG 3Å; F189-Y274 HydrophobicContact CD1-CE2 4.14Å; F189-Y274 AromaticContact CE1-CE2 3.56Å; F189-Y274 HydrophobicContact CE1-CE2 3.56Å; F189-Y274 AromaticContact CE1-CZ 3.74Å; F189-Y274 WeakPolarHBondContact CE1-OH 3.35Å
190L95.8Very high93.9Very high22 Ų2245 Ų4512%0.11525%0.253CS..Hα-helixtrans-61.9-48.5174.9167.366.3000110.2F186 D187 D188 S193 S194 Y274 Y278F186-L190 WeakPolarHBondContact O-CB 3.3Å; F186-L190 PolarHBondContact O-N 3.16Å; D187-L190 WeakPolarHBondContact O-CB 3.3Å; D187-L190 PolarHBondContact O-N 3.29Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 2.78Å; L190-S193 PolarHBondContact O-N 3.31Å; L190-S193 PolarHBondContact O-OG 3.24Å; L190-S194 WeakPolarHBondContact O-CB 3.46Å; L190-S194 PolarHBondContact O-N 2.94Å; L190-S194 PolarHBondContact O-OG 2.9Å; L190-Y274 HydrophobicContact CD1-CD2 4.38Å; L190-Y278 HydrophobicContact CD2-CD1 4.46Å; L190-Y278 HydrophobicContact CD2-CD2 3.72Å; L190-Y278 HydrophobicContact CD2-CE2 4.43Å; L190-Y278 HydrophobicContact CD2-CG 3.72Å
191V96.6Very high94.5Very high97 Ų9745 Ų4559%0.58825%0.252SS*.Hα-helixtrans-61.6-52.3178.3175.70000110.3D187 D188 S193 S194 V195D187-V191 PolarHBondContact O-N 3.42Å; D187-V191 VanDerWaalsContact O-N 3.1Å; D188-V191 PolarHBondContact O-N 3.2Å; V191-S193 PolarHBondContact O-N 2.94Å; V191-S194 PolarHBondContact O-N 3.32Å; V191-V195 WeakPolarHBondContact O-CG2 3.46Å; V191-V195 PolarHBondContact O-N 3.01Å
192Y97.1Very high94.9Very high35 Ų3546.7 Ų46.714%0.13727%0.266CS..Hα-helixtrans-54.1-53.1176.9157.1-100.9000111.8C158 Q159 P161 I162 F165 D188 F189 S194 V195 V196C158-Y192 WeakPolarHBondContact O-CE2 3.3Å; C158-Y192 PolarHBondContact O-OH 3.46Å; Q159-Y192 PolarHBondContact OE1-OH 3.21Å; P161-Y192 HydrophobicContact CB-CD2 4.03Å; P161-Y192 HydrophobicContact CB-CE2 3.66Å; P161-Y192 HydrophobicContact CG-CD2 4.16Å; P161-Y192 HydrophobicContact CG-CE2 3.67Å; I162-Y192 HydrophobicContact CD1-CE1 3.59Å; I162-Y192 WeakPolarHBondContact CD1-OH 3.46Å; I162-Y192 HydrophobicContact CG1-CE1 4.41Å; I162-Y192 WeakPolarHBondContact CG1-OH 3.49Å; F165-Y192 HydrophobicContact CD2-CD1 4.06Å; F165-Y192 HydrophobicContact CD2-CE1 4.39Å; F165-Y192 AromaticContact CE2-CD1 3.83Å; F165-Y192 HydrophobicContact CE2-CD1 3.83Å; F165-Y192 AromaticContact CE2-CG 3.88Å; F165-Y192 HydrophobicContact CE2-CG 3.88Å; D188-Y192 WeakPolarHBondContact O-CB 3.38Å; D188-Y192 PolarHBondContact O-N 3.43Å; F189-Y192 AromaticContact CD2-CD1 3.93Å; F189-Y192 HydrophobicContact CD2-CD1 3.93Å; F189-Y192 HydrophobicContact CD2-CE1 4.36Å; F189-Y192 HydrophobicContact CE2-CD1 4.14Å; F189-Y192 HydrophobicContact CE2-CE1 4.14Å; Y192-S194 VanDerWaalsContact C-N 3.29Å; Y192-S194 PolarHBondContact O-N 3.36Å; Y192-V195 PolarHBondContact O-N 3.3Å; Y192-V196 HydrophobicContact CD2-CG2 3.89Å; Y192-V196 HydrophobicContact CE2-CG2 3.45Å; Y192-V196 VanDerWaalsContact CE2-CG2 3.45Å; Y192-V196 WeakPolarHBondContact O-CG2 3.44Å; Y192-V196 PolarHBondContact O-N 2.94Å
193S96.1Very high95.4Very high5 Ų550.8 Ų50.84%0.03529%0.287CS..Hα-helixtrans-67.3-31.1-176.2650000112.1F189 L190 V191 S197F189-S193 WeakPolarHBondContact O-CB 3.26Å; F189-S193 PolarHBondContact O-N 2.93Å; F189-S193 PolarHBondContact O-OG 3Å; L190-S193 PolarHBondContact O-N 3.31Å; L190-S193 PolarHBondContact O-OG 3.24Å; V191-S193 PolarHBondContact O-N 2.94Å; S193-S197 VanDerWaalsContact O-CB 3.3Å; S193-S197 WeakPolarHBondContact O-CB 3.47Å; S193-S197 PolarHBondContact O-N 2.87Å; S193-S197 PolarHBondContact O-OG 3.33Å
194S96.2Very high95.8Very high52 Ų5247.6 Ų47.636%0.36426%0.264SS..Hα-helixtrans-67.5-48.5174-61.70000111.3L190 V191 Y192 V196 S197 V198L190-S194 WeakPolarHBondContact O-CB 3.46Å; L190-S194 PolarHBondContact O-N 2.94Å; L190-S194 PolarHBondContact O-OG 2.9Å; V191-S194 PolarHBondContact O-N 3.32Å; Y192-S194 VanDerWaalsContact C-N 3.29Å; Y192-S194 PolarHBondContact O-N 3.36Å; S194-V196 PolarHBondContact O-N 3.37Å; S194-S197 WeakPolarHBondContact O-CB 3.28Å; S194-S197 PolarHBondContact O-N 2.95Å; S194-S197 VanDerWaalsContact O-N 3.16Å; S194-V198 WeakPolarHBondContact O-CG2 3.35Å; S194-V198 PolarHBondContact O-N 2.98Å
195V97.5Very high96.2Very high77 Ų7741.3 Ų41.347%0.46723%0.234SC..Hα-helixtrans-58.9-48.3176.2172.30000110.6V191 Y192 S197 V198 L199V191-V195 WeakPolarHBondContact O-CG2 3.46Å; V191-V195 PolarHBondContact O-N 3.01Å; Y192-V195 PolarHBondContact O-N 3.3Å; V195-S197 VanDerWaalsContact C-N 3.31Å; V195-S197 PolarHBondContact O-N 3.06Å; V195-V198 PolarHBondContact O-N 2.93Å; V195-L199 HydrophobicContact CG1-CD1 3.7Å; V195-L199 HydrophobicContact CG1-CG 4.26Å; V195-L199 WeakPolarHBondContact O-CB 3.36Å; V195-L199 WeakPolarHBondContact O-CG 3.34Å; V195-L199 PolarHBondContact O-N 3.45Å
196V97.8Very high96.3Very high11 Ų1145.2 Ų45.27%0.06725%0.253CS..Hα-helixtrans-63-37.3177.2175.20000111.5Y112 Y192 S194 V198 L199 M200Y112-V196 HydrophobicContact CD2-CG1 4.16Å; Y112-V196 HydrophobicContact CE1-CG1 4.16Å; Y112-V196 HydrophobicContact CE2-CG1 3.54Å; Y192-V196 HydrophobicContact CD2-CG2 3.89Å; Y192-V196 HydrophobicContact CE2-CG2 3.45Å; Y192-V196 VanDerWaalsContact CE2-CG2 3.45Å; Y192-V196 WeakPolarHBondContact O-CG2 3.44Å; Y192-V196 PolarHBondContact O-N 2.94Å; S194-V196 PolarHBondContact O-N 3.37Å; V196-V198 PolarHBondContact O-N 2.96Å; V196-L199 PolarHBondContact O-N 3Å; V196-M200 HydrophobicContact CG1-CB 4.26Å; V196-M200 HydrophobicContact CG1-CG 3.99Å; V196-M200 WeakPolarHBondContact O-CA 3.22Å; V196-M200 VanDerWaalsContact O-CB 3.24Å; V196-M200 WeakPolarHBondContact O-CB 3.4Å; V196-M200 PolarHBondContact O-N 3.29Å
197S96.9Very high96.4Very high11 Ų1148.1 Ų48.18%0.07727%0.271CS..Hα-helixtrans-61.4-42.9174.9-59.70000112.2S193 S194 V195 F201 A202 R270S193-S197 VanDerWaalsContact O-CB 3.3Å; S193-S197 WeakPolarHBondContact O-CB 3.47Å; S193-S197 PolarHBondContact O-N 2.87Å; S193-S197 PolarHBondContact O-OG 3.33Å; S194-S197 WeakPolarHBondContact O-CB 3.28Å; S194-S197 PolarHBondContact O-N 2.95Å; S194-S197 VanDerWaalsContact O-N 3.16Å; V195-S197 VanDerWaalsContact C-N 3.31Å; V195-S197 PolarHBondContact O-N 3.06Å; S197-F201 WeakPolarHBondContact O-CA 3.14Å; S197-F201 VanDerWaalsContact O-CB 3.28Å; S197-F201 WeakPolarHBondContact O-CB 3.45Å; S197-F201 PolarHBondContact O-N 3.2Å; S197-F201 VanDerWaalsContact O-N 3.1Å; S197-A202 PolarHBondContact O-N 2.95Å; S197-R270 PolarHBondContact OG-NH2 3.25Å
198V97Very high96.4Very high81 Ų8145.2 Ų45.249%0.49126%0.255SS..Iπ-helixtrans-66.9-51.3177.8173.70000110.3S194 V195 V196 A202 L203S194-V198 WeakPolarHBondContact O-CG2 3.35Å; S194-V198 PolarHBondContact O-N 2.98Å; V195-V198 PolarHBondContact O-N 2.93Å; V196-V198 PolarHBondContact O-N 2.96Å; V198-A202 PolarHBondContact O-N 3.22Å; V198-L203 PolarHBondContact O-N 3.44Å
199L97.8Very high96.3Very high89 Ų8944.1 Ų44.147%0.46625%0.248SC..Iπ-helixtrans-69.8-41.1-173.4-66.7179.7000113.6V195 V196 L203 P204V195-L199 HydrophobicContact CG1-CD1 3.7Å; V195-L199 HydrophobicContact CG1-CG 4.26Å; V195-L199 WeakPolarHBondContact O-CB 3.36Å; V195-L199 WeakPolarHBondContact O-CG 3.34Å; V195-L199 PolarHBondContact O-N 3.45Å; V196-L199 PolarHBondContact O-N 3Å; L199-L203 HydrophobicContact CD2-CD1 3.87Å; L199-P204 VanDerWaalsContact O-CD 3.23Å; L199-P204 WeakPolarHBondContact O-CD 3.3Å
200M97.7Very high96.2Very high7 Ų748.8 Ų48.83%0.03427%0.272CS..Iπ-helixtrans-105.4-8.3-169.2-56.8-73.2-7400113.3Y112 I115 L116 V155 C158 V196Y112-M200 HydrophobicContact CD1-CB 3.25Å; Y112-M200 HydrophobicContact CD1-CG 4.38Å; Y112-M200 HydrophobicContact CE1-CB 3.62Å; Y112-M200 HydrophobicContact CG-CB 3.82Å; I115-M200 VanDerWaalsContact CG2-O 3.3Å; I115-M200 WeakPolarHBondContact CG2-O 3.39Å; L116-M200 HydrophobicContact CD1-CE 3.41Å; L116-M200 VanDerWaalsContact CD1-CE 3.41Å; L116-M200 HydrophobicContact CD1-SD 4.04Å; L116-M200 HydrophobicContact CG-CE 4.22Å; V155-M200 HydrophobicContact CG2-CE 3.89Å; C158-M200 HydrophobicContact CB-CE 4.39Å; C158-M200 HydrophobicContact CB-SD 4.43Å; V196-M200 HydrophobicContact CG1-CB 4.26Å; V196-M200 HydrophobicContact CG1-CG 3.99Å; V196-M200 WeakPolarHBondContact O-CA 3.22Å; V196-M200 VanDerWaalsContact O-CB 3.24Å; V196-M200 WeakPolarHBondContact O-CB 3.4Å; V196-M200 PolarHBondContact O-N 3.29Å
201F97.5Very high96Very high18 Ų1848.4 Ų48.48%0.07927%0.271CS..Iπ-helixtrans-122.6-61172.8166.7-102.6000112.7Y112 I115 S197 L203 P204 F205 F259 F263 L264 H267Y112-F201 HydrophobicContact CE1-CB 4.28Å; I115-F201 HydrophobicContact CD1-CB 4.21Å; I115-F201 HydrophobicContact CD1-CD2 3.89Å; S197-F201 WeakPolarHBondContact O-CA 3.14Å; S197-F201 VanDerWaalsContact O-CB 3.28Å; S197-F201 WeakPolarHBondContact O-CB 3.45Å; S197-F201 PolarHBondContact O-N 3.2Å; S197-F201 VanDerWaalsContact O-N 3.1Å; F201-L203 PolarHBondContact O-N 3.22Å; F201-P204 WeakPolarHBondContact O-CD 3.48Å; F201-F205 WeakPolarHBondContact O-CB 3.46Å; F201-F205 PolarHBondContact O-N 3.02Å; F201-F259 HydrophobicContact CD2-CE1 4.42Å; F201-F259 HydrophobicContact CE2-CD1 4.06Å; F201-F259 HydrophobicContact CE2-CE1 4.33Å; F201-F263 HydrophobicContact CD2-CB 4.24Å; F201-F263 HydrophobicContact CE2-CB 3.82Å; F201-L264 HydrophobicContact CE1-CD1 4.27Å; F201-L264 HydrophobicContact CZ-CB 4.18Å; F201-L264 HydrophobicContact CZ-CD1 3.79Å; F201-H267 HydrophobicContact CD1-CB 3.78Å; F201-H267 AromaticContact CD1-CD2 3.73Å; F201-H267 AromaticContact CD1-CG 3.64Å; F201-H267 AromaticContact CD2-CD2 3.15Å; F201-H267 WeakPolarHBondContact CD2-CD2 3.49Å; F201-H267 AromaticContact CD2-CG 3.94Å; F201-H267 AromaticContact CD2-NE2 3.53Å; F201-H267 HydrophobicContact CE1-CB 3.67Å; F201-H267 AromaticContact CE1-CG 3.96Å; F201-H267 AromaticContact CE2-CD2 3.49Å; F201-H267 VanDerWaalsContact CE2-CD2 3.49Å; F201-H267 WeakPolarHBondContact CE2-CD2 3.14Å; F201-H267 HydrophobicContact CG-CB 4.27Å; F201-H267 AromaticContact CG-CD2 3.28Å; F201-H267 WeakPolarHBondContact CG-CD2 3.21Å; F201-H267 AromaticContact CG-CG 3.63Å; F201-H267 AromaticContact CG-NE2 3.57Å; F201-H267 HydrophobicContact CZ-CB 4.07Å; F201-H267 AromaticContact CZ-CD2 3.93Å
202A97.1Very high95.8Very high36 Ų3644 Ų4430%0.29824%0.244SC..Iπ-helixtrans-63.5-47-172.200000112.4S197 V198 F205 M206S197-A202 PolarHBondContact O-N 2.95Å; V198-A202 PolarHBondContact O-N 3.22Å; A202-F205 PolarHBondContact O-N 3.1Å; A202-M206 VanDerWaalsContact O-CG 3.26Å; A202-M206 WeakPolarHBondContact O-CG 3.44Å; A202-M206 PolarHBondContact O-N 3.5Å
203L96.7Very high95.5Very high94 Ų9444.1 Ų44.149%0.49226%0.256SS..Hα-helixtrans-62.7-51.9177.3-70.3180000112.5V198 L199 F201 F205 M206 V207V198-L203 PolarHBondContact O-N 3.44Å; L199-L203 HydrophobicContact CD2-CD1 3.87Å; F201-L203 PolarHBondContact O-N 3.22Å; L203-F205 VanDerWaalsContact C-N 3.3Å; L203-F205 PolarHBondContact O-N 3.28Å; L203-M206 PolarHBondContact O-N 2.9Å; L203-V207 WeakPolarHBondContact O-CG2 3.14Å; L203-V207 PolarHBondContact O-N 2.98Å
204P95.9Very high95.3Very high9 Ų947.4 Ų47.46%0.05827%0.273CS..Hα-helixtrans-57.4-40.3174.4-29.536.4000113.7I115 L116 C119 L199 F201 V207 V208I115-P204 HydrophobicContact CG2-CB 3.64Å; I115-P204 HydrophobicContact CG2-CG 4.17Å; L116-P204 HydrophobicContact CD2-CB 4.22Å; L116-P204 HydrophobicContact CD2-CG 3.59Å; C119-P204 HydrophobicContact CB-CB 4.36Å; L199-P204 VanDerWaalsContact O-CD 3.23Å; L199-P204 WeakPolarHBondContact O-CD 3.3Å; F201-P204 WeakPolarHBondContact O-CD 3.48Å; P204-V207 PolarHBondContact O-N 3.19Å; P204-V208 VanDerWaalsContact O-CG2 3.22Å; P204-V208 WeakPolarHBondContact O-CG2 3.08Å; P204-V208 PolarHBondContact O-N 3.05Å
205F95.1Very high95Very high37 Ų3745 Ų4516%0.16226%0.256CS..Hα-helixtrans-60.7-48.8176.3178.4-109000111.1F201 A202 L203 V207 V208 M209 F259F201-F205 WeakPolarHBondContact O-CB 3.46Å; F201-F205 PolarHBondContact O-N 3.02Å; A202-F205 PolarHBondContact O-N 3.1Å; L203-F205 VanDerWaalsContact C-N 3.3Å; L203-F205 PolarHBondContact O-N 3.28Å; F205-V207 VanDerWaalsContact C-N 3.33Å; F205-V207 PolarHBondContact O-N 3.15Å; F205-V208 PolarHBondContact O-N 3.06Å; F205-V208 VanDerWaalsContact O-N 3.16Å; F205-M209 HydrophobicContact CD1-CG 4.23Å; F205-M209 HydrophobicContact CD2-CG 4.28Å; F205-M209 HydrophobicContact CE1-CG 3.88Å; F205-M209 HydrophobicContact CE2-CG 3.94Å; F205-M209 HydrophobicContact CE2-SD 3.85Å; F205-M209 HydrophobicContact CG-CG 4.43Å; F205-M209 HydrophobicContact CZ-CG 3.74Å; F205-M209 HydrophobicContact CZ-SD 3.86Å; F205-M209 VanDerWaalsContact O-CG 3.3Å; F205-M209 WeakPolarHBondContact O-CG 3.26Å; F205-M209 PolarHBondContact O-N 3.26Å; F205-F259 HydrophobicContact CB-CD1 4.4Å; F205-F259 HydrophobicContact CB-CE1 4.09Å; F205-F259 HydrophobicContact CD2-CB 4.03Å; F205-F259 AromaticContact CD2-CD1 3.45Å; F205-F259 HydrophobicContact CD2-CD1 3.45Å; F205-F259 VanDerWaalsContact CD2-CD1 3.45Å; F205-F259 HydrophobicContact CD2-CD2 4.24Å; F205-F259 AromaticContact CD2-CE1 3.9Å; F205-F259 HydrophobicContact CD2-CE1 3.9Å; F205-F259 AromaticContact CD2-CG 3.65Å; F205-F259 HydrophobicContact CD2-CG 3.65Å; F205-F259 HydrophobicContact CD2-CZ 4.47Å; F205-F259 HydrophobicContact CE2-CB 3.85Å; F205-F259 HydrophobicContact CE2-CD1 4.16Å; F205-F259 AromaticContact CE2-CG 4Å; F205-F259 HydrophobicContact CE2-CG 4Å; F205-F259 HydrophobicContact CG-CD1 4.34Å; F205-F259 HydrophobicContact CG-CE1 4.49Å
206M95.7Very high94.6Very high105 Ų10544.2 Ų44.252%0.51725%0.251SS..Hα-helixtrans-58.9-42.8176.7-70.5-57.3-66.400112.3A202 L203 V208 M209 I210A202-M206 VanDerWaalsContact O-CG 3.26Å; A202-M206 WeakPolarHBondContact O-CG 3.44Å; A202-M206 PolarHBondContact O-N 3.5Å; L203-M206 PolarHBondContact O-N 2.9Å; M206-V208 PolarHBondContact O-N 2.79Å; M206-M209 PolarHBondContact O-N 3.4Å; M206-I210 VanDerWaalsContact O-CG1 3.3Å; M206-I210 WeakPolarHBondContact O-CG1 3.39Å; M206-I210 PolarHBondContact O-N 3.16Å
207V94.7Very high94.2Very high61 Ų6152.4 Ų52.437%0.3728%0.28SS..Hα-helixtrans-60.1-45.3175.9171.50000111.3I123 L203 P204 F205 I210 C211I123-V207 HydrophobicContact CD1-CG1 4.03Å; I123-V207 HydrophobicContact CG1-CG1 4.21Å; L203-V207 WeakPolarHBondContact O-CG2 3.14Å; L203-V207 PolarHBondContact O-N 2.98Å; P204-V207 PolarHBondContact O-N 3.19Å; F205-V207 VanDerWaalsContact C-N 3.33Å; F205-V207 PolarHBondContact O-N 3.15Å; V207-I210 PolarHBondContact O-N 3.27Å; V207-C211 WeakPolarHBondContact O-CB 3.11Å; V207-C211 PolarHBondContact O-N 2.83Å; V207-C211 PolarHBondContact O-SG 3.41Å
208V94.1Very high93.7Very high0 Ų054.6 Ų54.60%029%0.289CS..Hα-helixtrans-61.7-46.6177.5171.20000110.7C119 P204 F205 M206 I210 C211 Y212 V255 F259C119-V208 HydrophobicContact CB-CG2 3.98Å; P204-V208 VanDerWaalsContact O-CG2 3.22Å; P204-V208 WeakPolarHBondContact O-CG2 3.08Å; P204-V208 PolarHBondContact O-N 3.05Å; F205-V208 PolarHBondContact O-N 3.06Å; F205-V208 VanDerWaalsContact O-N 3.16Å; M206-V208 PolarHBondContact O-N 2.79Å; V208-I210 PolarHBondContact O-N 2.78Å; V208-C211 PolarHBondContact O-N 3.42Å; V208-Y212 HydrophobicContact CG1-CD2 3.84Å; V208-Y212 HydrophobicContact CG1-CE2 3.65Å; V208-Y212 HydrophobicContact CG1-CG 4.37Å; V208-Y212 WeakPolarHBondContact O-CB 3.26Å; V208-Y212 PolarHBondContact O-N 2.04Å; V208-V255 HydrophobicContact CG1-CG1 3.79Å; V208-F259 HydrophobicContact CB-CE2 4.31Å; V208-F259 HydrophobicContact CG1-CD2 4.49Å; V208-F259 HydrophobicContact CG1-CE2 4.09Å; V208-F259 HydrophobicContact CG2-CE2 4.01Å; V208-F259 HydrophobicContact CG2-CZ 4.25Å
209M93.5Very high93.2Very high76 Ų7651.1 Ų51.137%0.37427%0.267SS..Hα-helixtrans-60.8-44.2179.6-67.4-51.5-67.800112F205 M206 Y212 G213 L256F205-M209 HydrophobicContact CD1-CG 4.23Å; F205-M209 HydrophobicContact CD2-CG 4.28Å; F205-M209 HydrophobicContact CE1-CG 3.88Å; F205-M209 HydrophobicContact CE2-CG 3.94Å; F205-M209 HydrophobicContact CE2-SD 3.85Å; F205-M209 HydrophobicContact CG-CG 4.43Å; F205-M209 HydrophobicContact CZ-CG 3.74Å; F205-M209 HydrophobicContact CZ-SD 3.86Å; F205-M209 VanDerWaalsContact O-CG 3.3Å; F205-M209 WeakPolarHBondContact O-CG 3.26Å; F205-M209 PolarHBondContact O-N 3.26Å; M206-M209 PolarHBondContact O-N 3.4Å; M209-Y212 PolarHBondContact O-N 3Å; M209-G213 PolarHBondContact O-N 3.39Å; M209-L256 HydrophobicContact CE-CD2 4.11Å; M209-L256 HydrophobicContact SD-CD2 3.48Å; M209-L256 WeakPolarHBondContact SD-CD2 3.32Å
210I93.9Very high92.6Very high102 Ų10252.9 Ų52.952%0.52328%0.276SS..Hα-helixtrans-63.7-48.6175.9-66.9165.8000110.4M206 V207 V208 Y212 G213 L214M206-I210 VanDerWaalsContact O-CG1 3.3Å; M206-I210 WeakPolarHBondContact O-CG1 3.39Å; M206-I210 PolarHBondContact O-N 3.16Å; V207-I210 PolarHBondContact O-N 3.27Å; V208-I210 PolarHBondContact O-N 2.78Å; I210-Y212 VanDerWaalsContact C-N 3.25Å; I210-Y212 PolarHBondContact O-N 3.41Å; I210-G213 PolarHBondContact O-N 3.46Å; I210-L214 HydrophobicContact CG2-CD1 4.08Å; I210-L214 HydrophobicContact CG2-CG 4.47Å; I210-L214 WeakPolarHBondContact O-CG 3.26Å; I210-L214 PolarHBondContact O-N 3.44Å
211C92.1Very high92Very high13 Ų1356.6 Ų56.69%0.08829%0.294CS..Hα-helixtrans-55.9-42.5178.2-73.40000111.6F126 V207 V208 M215F126-C211 HydrophobicContact CB-CB 4.1Å; F126-C211 HydrophobicContact CD2-CB 4.42Å; F126-C211 HydrophobicContact CG-CB 4.24Å; V207-C211 WeakPolarHBondContact O-CB 3.11Å; V207-C211 PolarHBondContact O-N 2.83Å; V207-C211 PolarHBondContact O-SG 3.41Å; V208-C211 PolarHBondContact O-N 3.42Å; C211-M215 VanDerWaalsContact O-CB 3.23Å; C211-M215 WeakPolarHBondContact O-CB 3.27Å; C211-M215 PolarHBondContact O-N 2.91Å
212Y91.4Very high90.7Very high5 Ų562.3 Ų62.32%0.0233%0.333CS..Hα-helixtrans-75.5-38.2-179-72.6-1.5000112.8S122 V208 M209 I210 L214 M215 V216 M251 I252 V255 L256S122-Y212 VanDerWaalsContact OG-CZ 3.28Å; S122-Y212 PolarHBondContact OG-OH 3.17Å; V208-Y212 HydrophobicContact CG1-CD2 3.84Å; V208-Y212 HydrophobicContact CG1-CE2 3.65Å; V208-Y212 HydrophobicContact CG1-CG 4.37Å; V208-Y212 WeakPolarHBondContact O-CB 3.26Å; V208-Y212 PolarHBondContact O-N 2.04Å; M209-Y212 PolarHBondContact O-N 3Å; I210-Y212 VanDerWaalsContact C-N 3.25Å; I210-Y212 PolarHBondContact O-N 3.41Å; Y212-L214 VanDerWaalsContact C-N 3.32Å; Y212-L214 PolarHBondContact O-N 2.89Å; Y212-M215 HydrophobicContact CD1-CE 3.63Å; Y212-M215 HydrophobicContact CE1-CE 3.8Å; Y212-M215 PolarHBondContact O-N 3.26Å; Y212-V216 WeakPolarHBondContact O-CB 3.42Å; Y212-V216 VanDerWaalsContact O-CG2 3.29Å; Y212-V216 WeakPolarHBondContact O-CG2 3.5Å; Y212-V216 PolarHBondContact O-N 3.01Å; Y212-M251 WeakPolarHBondContact OH-CE 3.42Å; Y212-I252 HydrophobicContact CD1-CG1 3.93Å; Y212-I252 HydrophobicContact CD2-CB 4.21Å; Y212-I252 HydrophobicContact CD2-CG1 4.1Å; Y212-I252 HydrophobicContact CD2-CG2 3.86Å; Y212-I252 HydrophobicContact CE1-CG1 4.12Å; Y212-I252 HydrophobicContact CE2-CB 4.26Å; Y212-I252 HydrophobicContact CE2-CG1 4.27Å; Y212-I252 HydrophobicContact CE2-CG2 4.3Å; Y212-I252 HydrophobicContact CG-CB 4.5Å; Y212-I252 HydrophobicContact CG-CG1 3.91Å; Y212-I252 HydrophobicContact CG-CG2 4.26Å; Y212-V255 HydrophobicContact CE2-CB 3.74Å; Y212-V255 HydrophobicContact CE2-CG1 3.81Å; Y212-V255 WeakPolarHBondContact OH-CB 3.28Å; Y212-V255 WeakPolarHBondContact OH-CG1 3.34Å; Y212-V255 WeakPolarHBondContact OH-CG2 3.34Å; Y212-L256 HydrophobicContact CD2-CD2 4.11Å; Y212-L256 HydrophobicContact CD2-CG 4.05Å; Y212-L256 HydrophobicContact CE2-CG 4.34Å
213G91.7Very high89.2Confident38 Ų3862.2 Ų62.239%0.39234%0.335SS..Hα-helixtrans-57.6-45.9171.900000111.9M209 I210 R217M209-G213 PolarHBondContact O-N 3.39Å; I210-G213 PolarHBondContact O-N 3.46Å; G213-R217 WeakPolarHBondContact O-CG 3.39Å; G213-R217 PolarHBondContact O-N 3.09Å
214L91.6Very high87.6Confident74 Ų7460.4 Ų60.439%0.38732%0.322SS..Hα-helixtrans-66.1-41.1176.2-65.3176.8000112.3F126 I210 Y212 R217 K218F126-L214 HydrophobicContact CD2-CB 4.34Å; F126-L214 HydrophobicContact CE2-CB 3.72Å; F126-L214 HydrophobicContact CE2-CD1 3.81Å; F126-L214 HydrophobicContact CE2-CG 4.44Å; F126-L214 HydrophobicContact CZ-CD1 4Å; I210-L214 HydrophobicContact CG2-CD1 4.08Å; I210-L214 HydrophobicContact CG2-CG 4.47Å; I210-L214 WeakPolarHBondContact O-CG 3.26Å; I210-L214 PolarHBondContact O-N 3.44Å; Y212-L214 VanDerWaalsContact C-N 3.32Å; Y212-L214 PolarHBondContact O-N 2.89Å; L214-R217 PolarHBondContact O-N 3.12Å; L214-K218 WeakPolarHBondContact O-CB 3.16Å; L214-K218 PolarHBondContact O-N 3.4Å
215M89.6Confident85.8Confident1 Ų161.6 Ų61.61%0.00534%0.335CS..Hα-helixtrans-64.6-43.6177.8-169.5-173.8-45.400111.9R125 F126 I129 C211 Y212 K218 L219 I252R125-M215 HydrophobicContact CB-CE 4.03Å; F126-M215 HydrophobicContact CB-CE 4.04Å; I129-M215 HydrophobicContact CB-CG 4.47Å; I129-M215 HydrophobicContact CD1-CE 4.1Å; I129-M215 HydrophobicContact CD1-CG 3.49Å; I129-M215 VanDerWaalsContact CD1-CG 3.49Å; I129-M215 HydrophobicContact CD1-SD 3.28Å; I129-M215 WeakPolarHBondContact CD1-SD 3.28Å; I129-M215 HydrophobicContact CG2-CG 4.17Å; C211-M215 VanDerWaalsContact O-CB 3.23Å; C211-M215 WeakPolarHBondContact O-CB 3.27Å; C211-M215 PolarHBondContact O-N 2.91Å; Y212-M215 HydrophobicContact CD1-CE 3.63Å; Y212-M215 HydrophobicContact CE1-CE 3.8Å; Y212-M215 PolarHBondContact O-N 3.26Å; M215-K218 PolarHBondContact O-N 3.18Å; M215-L219 HydrophobicContact CG-CD1 4.12Å; M215-L219 HydrophobicContact CG-CG 4.47Å; M215-L219 WeakPolarHBondContact O-CB 3.03Å; M215-L219 WeakPolarHBondContact O-CG 3.24Å; M215-L219 PolarHBondContact O-N 3.43Å; M215-I252 HydrophobicContact CG-CD1 4.24Å; M215-I252 HydrophobicContact SD-CD1 3.71Å; M215-I252 HydrophobicContact SD-CG1 3.94Å
216V89.5Confident83.7Confident60 Ų6062.2 Ų62.236%0.36434%0.344SS..Hα-helixtrans-61.2-48.6175.8169.60000110.3Y212 K218 L219 L220 I252Y212-V216 WeakPolarHBondContact O-CB 3.42Å; Y212-V216 VanDerWaalsContact O-CG2 3.29Å; Y212-V216 WeakPolarHBondContact O-CG2 3.5Å; Y212-V216 PolarHBondContact O-N 3.01Å; V216-K218 VanDerWaalsContact C-N 3.28Å; V216-K218 PolarHBondContact O-N 3Å; V216-L219 PolarHBondContact O-N 3.09Å; V216-L219 VanDerWaalsContact O-N 3.16Å; V216-L220 HydrophobicContact CG1-CD1 3.67Å; V216-L220 HydrophobicContact CG1-CG 4.26Å; V216-L220 WeakPolarHBondContact O-CB 3.46Å; V216-L220 VanDerWaalsContact O-CG 3.26Å; V216-L220 WeakPolarHBondContact O-CG 3.46Å; V216-L220 PolarHBondContact O-N 2.97Å; V216-I252 HydrophobicContact CG2-CD1 3.86Å
217R89.5Confident81.4Confident183 Ų18364.7 Ų64.769%0.69136%0.36SS*.Hα-helixtrans-52.5-49.3175.1-77.8178.6164.4-175.8-4.2111.2G213 L214 L219 L220 E221G213-R217 WeakPolarHBondContact O-CG 3.39Å; G213-R217 PolarHBondContact O-N 3.09Å; L214-R217 PolarHBondContact O-N 3.12Å; R217-L219 PolarHBondContact O-N 3.3Å; R217-L220 PolarHBondContact O-N 3.3Å; R217-E221 PolarHBondContact O-N 3.49Å
218K86.1Confident79.3Confident58 Ų5867.7 Ų67.725%0.25237%0.369SS..Hα-helixtrans-63.6-39.5-180-155.975.2-160.9160.20113.3L214 M215 V216 L220 E221 W224L214-K218 WeakPolarHBondContact O-CB 3.16Å; L214-K218 PolarHBondContact O-N 3.4Å; M215-K218 PolarHBondContact O-N 3.18Å; V216-K218 VanDerWaalsContact C-N 3.28Å; V216-K218 PolarHBondContact O-N 3Å; K218-L220 VanDerWaalsContact C-N 3.28Å; K218-L220 PolarHBondContact O-N 3.4Å; K218-E221 WeakPolarHBondContact CE-OE2 3.26Å; K218-E221 VanDerWaalsContact NZ-CD 3.26Å; K218-E221 IonicContact NZ-OE1 2.66Å; K218-E221 PolarHBondContact NZ-OE1 3.16Å; K218-E221 IonicContact NZ-OE2 2.83Å; K218-E221 PolarHBondContact NZ-OE2 3.3Å; K218-E221 PolarHBondContact O-N 3Å; K218-W224 HydrophobicContact CD-CE3 4.05Å; K218-W224 HydrophobicContact CD-CH2 4.06Å; K218-W224 HydrophobicContact CD-CZ3 3.61Å; K218-W224 VanDerWaalsContact CE-CE3 3.47Å; K218-W224 HydrophobicContact CG-CD2 4.05Å; K218-W224 HydrophobicContact CG-CE3 3.49Å; K218-W224 VanDerWaalsContact CG-CE3 3.49Å; K218-W224 HydrophobicContact CG-CH2 3.29Å; K218-W224 HydrophobicContact CG-CZ2 3.86Å; K218-W224 HydrophobicContact CG-CZ3 3.17Å
219L85.6Confident77.1Confident7 Ų776.2 Ų76.24%0.03740%0.402CS..Hα-helixtrans-72.4-19.3178-70176.4000113.7I129 M215 V216 R217 K245 V249I129-L219 HydrophobicContact CG2-CD2 4.16Å; I129-L219 HydrophobicContact CG2-CG 4.49Å; M215-L219 HydrophobicContact CG-CD1 4.12Å; M215-L219 HydrophobicContact CG-CG 4.47Å; M215-L219 WeakPolarHBondContact O-CB 3.03Å; M215-L219 WeakPolarHBondContact O-CG 3.24Å; M215-L219 PolarHBondContact O-N 3.43Å; V216-L219 PolarHBondContact O-N 3.09Å; V216-L219 VanDerWaalsContact O-N 3.16Å; R217-L219 PolarHBondContact O-N 3.3Å; L219-K245 HydrophobicContact CD2-CB 4.03Å; L219-K245 HydrophobicContact CD2-CD 4.23Å; L219-K245 HydrophobicContact CD2-CG 3.9Å; L219-K245 WeakPolarHBondContact O-CE 3.28Å; L219-K245 PolarHBondContact O-NZ 2.92Å; L219-V249 HydrophobicContact CD1-CG2 4.06Å
220L86.3Confident74.8Confident126 Ų12675.3 Ų75.366%0.6641%0.411SS*.Hα-helixtrans-91.4-13.9176.9-68174.3000113.1V216 R217 K218V216-L220 HydrophobicContact CG1-CD1 3.67Å; V216-L220 HydrophobicContact CG1-CG 4.26Å; V216-L220 WeakPolarHBondContact O-CB 3.46Å; V216-L220 VanDerWaalsContact O-CG 3.26Å; V216-L220 WeakPolarHBondContact O-CG 3.46Å; V216-L220 PolarHBondContact O-N 2.97Å; R217-L220 PolarHBondContact O-N 3.3Å; K218-L220 VanDerWaalsContact C-N 3.28Å; K218-L220 PolarHBondContact O-N 3.4Å
221E85.1Confident72.4Confident86 Ų8680.5 Ų80.540%0.40243%0.433SS..SBendtrans-59.1128.8177.1-76.6175.5-167.400111.6R217 K218 G223 W224R217-E221 PolarHBondContact O-N 3.49Å; K218-E221 WeakPolarHBondContact CE-OE2 3.26Å; K218-E221 VanDerWaalsContact NZ-CD 3.26Å; K218-E221 IonicContact NZ-OE1 2.66Å; K218-E221 PolarHBondContact NZ-OE1 3.16Å; K218-E221 IonicContact NZ-OE2 2.83Å; K218-E221 PolarHBondContact NZ-OE2 3.3Å; K218-E221 PolarHBondContact O-N 3Å; E221-G223 PolarHBondContact O-N 2.92Å; E221-G223 VanDerWaalsContact O-N 3.15Å; E221-W224 PolarHBondContact O-N 2.82Å
222P69.9Low70.3Confident138 Ų13883.3 Ų83.390%0.89647%0.465SS*.THydrogen-bonded Turntrans-59.6118.1172.8-20.131.3000109.7
223G65.1Low68.1Low33 Ų3389.9 Ų89.934%0.3450%0.495SS..THydrogen-bonded Turntrans9314.2179.400000116.3E221 G225 S226 N227E221-G223 PolarHBondContact O-N 2.92Å; E221-G223 VanDerWaalsContact O-N 3.15Å; G223-G225 PolarHBondContact O-N 3.06Å; G223-G225 VanDerWaalsContact O-N 3.15Å; G223-S226 VanDerWaalsContact CA-OG 3.27Å; G223-S226 WeakPolarHBondContact CA-OG 3.26Å; G223-S226 WeakPolarHBondContact O-CA 3.28Å; G223-S226 VanDerWaalsContact O-CB 3.27Å; G223-S226 WeakPolarHBondContact O-CB 3.49Å; G223-S226 PolarHBondContact O-N 3.46Å; G223-N227 PolarHBondContact O-N 3.41Å; G223-N227 VanDerWaalsContact O-N 3.13Å
224W63.6Low66.2Low57 Ų5791 Ų9122%0.21651%0.507CS..THydrogen-bonded Turntrans-50.7-35.8169.9-177.3-106000113.6I129 K218 E221I129-W224 HydrophobicContact CB-CZ2 4.24Å; I129-W224 HydrophobicContact CG2-CH2 4.14Å; I129-W224 HydrophobicContact CG2-CZ2 3.31Å; I129-W224 WeakPolarHBondContact O-CH2 3.4Å; I129-W224 WeakPolarHBondContact O-CZ2 3.33Å; K218-W224 HydrophobicContact CD-CE3 4.05Å; K218-W224 HydrophobicContact CD-CH2 4.06Å; K218-W224 HydrophobicContact CD-CZ3 3.61Å; K218-W224 VanDerWaalsContact CE-CE3 3.47Å; K218-W224 HydrophobicContact CG-CD2 4.05Å; K218-W224 HydrophobicContact CG-CE3 3.49Å; K218-W224 VanDerWaalsContact CG-CE3 3.49Å; K218-W224 HydrophobicContact CG-CH2 3.29Å; K218-W224 HydrophobicContact CG-CZ2 3.86Å; K218-W224 HydrophobicContact CG-CZ3 3.17Å; E221-W224 PolarHBondContact O-N 2.82Å
225G57.1Low64.4Low33 Ų3396.2 Ų96.234%0.3453%0.529SS..THydrogen-bonded Turntrans-87.7-2.917400000114.9G223G223-G225 PolarHBondContact O-N 3.06Å; G223-G225 VanDerWaalsContact O-N 3.15Å
226S52.2Low62.7Low51 Ų5198.3 Ų98.336%0.35755%0.551SS.*THydrogen-bonded Turntrans-94.1-34.3179.2-450000112G223 E228 R229G223-S226 VanDerWaalsContact CA-OG 3.27Å; G223-S226 WeakPolarHBondContact CA-OG 3.26Å; G223-S226 WeakPolarHBondContact O-CA 3.28Å; G223-S226 VanDerWaalsContact O-CB 3.27Å; G223-S226 WeakPolarHBondContact O-CB 3.49Å; G223-S226 PolarHBondContact O-N 3.46Å; S226-E228 VanDerWaalsContact C-N 3.29Å; S226-E228 PolarHBondContact O-N 3.13Å; S226-R229 WeakPolarHBondContact O-CA 3.23Å; S226-R229 WeakPolarHBondContact O-CB 3.15Å; S226-R229 PolarHBondContact O-N 3.31Å
227N48Very low61.2Low157 Ų15796.6 Ų96.684%0.8455%0.545SS*.THydrogen-bonded Turntrans-72.6-18178.7-98.310.9000114G223 R229G223-N227 PolarHBondContact O-N 3.41Å; G223-N227 VanDerWaalsContact O-N 3.13Å; N227-R229 VanDerWaalsContact C-N 3.29Å
228E49.5Very low60.1Low123 Ų12389.9 Ų89.958%0.57553%0.533SS*.THydrogen-bonded Turntrans-82.5-4.8165.6-74.8-172.3138.300112.4S226 G230S226-E228 VanDerWaalsContact C-N 3.29Å; S226-E228 PolarHBondContact O-N 3.13Å; E228-G230 VanDerWaalsContact C-N 3.3Å; E228-G230 PolarHBondContact O-N 2.99Å
229R48.4Very low59.2Low180 Ų18091.2 Ų91.268%0.67954%0.542SS*.  trans-77.881.7169-62.4173.1169.4165.4-8.2108.8S226 N227S226-R229 WeakPolarHBondContact O-CA 3.23Å; S226-R229 WeakPolarHBondContact O-CB 3.15Å; S226-R229 PolarHBondContact O-N 3.31Å; N227-R229 VanDerWaalsContact C-N 3.29Å
230G45.4Very low58.4Low56 Ų5697.8 Ų97.858%0.57757%0.571SS**  trans-56.4139.7143.900000107.8E228 G232E228-G230 VanDerWaalsContact C-N 3.3Å; E228-G230 PolarHBondContact O-N 2.99Å; G230-G232 PolarHBondContact O-N 3.39Å
231E42.6Very low57.7Low211 Ų21192.4 Ų92.499%0.98654%0.544SS*.THydrogen-bonded Turntrans-59.715.9-168.7-66.1177.1135.500116.5
232G47.3Very low57.2Low72 Ų7293.3 Ų93.374%0.74255%0.549SS*.THydrogen-bonded Turntrans-131-2.5-172.300000118G230G230-G232 PolarHBondContact O-N 3.39Å
233E46.3Very low57.5Low143 Ų14394 Ų9467%0.66853%0.534SS*.  trans-104.7114.3-177.2-66.6-162170.800112.8
234G51.6Low58Low61 Ų6195.3 Ų95.363%0.62954%0.537SS*.  trans-63.6-165.4-178.700000116.1G236 G237G234-G236 PolarHBondContact O-N 3.48Å; G234-G237 PolarHBondContact O-N 2.93Å
235E53.5Low58.9Low185 Ų18596.7 Ų96.786%0.86455%0.545SS*.THydrogen-bonded Turntrans-41.6-26.8-175.2-92.1-172.2110.200116.2G237 L239E235-G237 PolarHBondContact O-N 3.43Å; E235-L239 WeakPolarHBondContact O-CD1 3.3Å
236G54Low60Low45 Ų4599 Ų9946%0.46455%0.547SS..Hα-helixtrans-67.3-25.4177.100000116.2G234 K240G234-G236 PolarHBondContact O-N 3.48Å; G236-K240 WeakPolarHBondContact O-CG 3.4Å; G236-K240 PolarHBondContact O-N 3.48Å
237G59Low61.4Low23 Ų23101.8 Ų101.824%0.23755%0.552CS.*Hα-helixtrans-68.8-43.6178.800000112.7G234 E235 L239 K240 A241G234-G237 PolarHBondContact O-N 2.93Å; E235-G237 PolarHBondContact O-N 3.43Å; G237-L239 PolarHBondContact O-N 3.05Å; G237-K240 PolarHBondContact O-N 2.97Å; G237-A241 PolarHBondContact O-N 3.24Å; G237-A241 VanDerWaalsContact O-N 3.17Å
238G64.7Low63.1Low42 Ų4294.4 Ų94.443%0.43351%0.513SS..Hα-helixtrans-62.5-39.1178.600000113.5Q242G238-Q242 WeakPolarHBondContact O-CB 3.23Å; G238-Q242 PolarHBondContact O-N 3.31Å
239L67.9Low64.8Low86 Ų8691.5 Ų91.545%0.4550%0.504SS..Hα-helixtrans-66.1-36.7175.8-89.198.6000112.9E235 G237 R243E235-L239 WeakPolarHBondContact O-CD1 3.3Å; G237-L239 PolarHBondContact O-N 3.05Å; L239-R243 VanDerWaalsContact O-CB 3.3Å; L239-R243 WeakPolarHBondContact O-CB 3.3Å; L239-R243 PolarHBondContact O-N 3.16Å
240K69.4Low66.5Low146 Ų14684.8 Ų84.864%0.63548%0.48SS*.Hα-helixtrans-67.1-45.9178.2-72.8175.3-174.7169.30111.2G236 G237 R243 S244G236-K240 WeakPolarHBondContact O-CG 3.4Å; G236-K240 PolarHBondContact O-N 3.48Å; G237-K240 PolarHBondContact O-N 2.97Å; K240-R243 PolarHBondContact O-N 2.77Å; K240-S244 PolarHBondContact O-N 3.48Å
241A71.4Confident68.4Low12 Ų1282.6 Ų82.610%0.09945%0.454CS..Hα-helixtrans-61.6-46176.900000111.6G237 R243 S244 K245G237-A241 PolarHBondContact O-N 3.24Å; G237-A241 VanDerWaalsContact O-N 3.17Å; A241-R243 VanDerWaalsContact C-N 3.34Å; A241-R243 PolarHBondContact O-N 2.79Å; A241-S244 WeakPolarHBondContact O-CB 3.39Å; A241-S244 PolarHBondContact O-N 3.48Å; A241-K245 PolarHBondContact O-N 2.67Å
242Q74.3Confident70.6Confident105 Ų10573.3 Ų73.349%0.49141%0.411SS..Hα-helixtrans-60.5-41.6176.1-173.8178.8-0.300112.2G238 K245 Q246G238-Q242 WeakPolarHBondContact O-CB 3.23Å; G238-Q242 PolarHBondContact O-N 3.31Å; Q242-K245 PolarHBondContact O-N 3.45Å; Q242-Q246 WeakPolarHBondContact O-CG 3.11Å; Q242-Q246 PolarHBondContact O-N 2.74Å
243R75.4Confident72.5Confident154 Ų15474.8 Ų74.858%0.58140%0.401SS*.Hα-helixtrans-66.3-38.5177.1-172.9178.7-176.8-177.93112.2L239 K240 A241 K247L239-R243 VanDerWaalsContact O-CB 3.3Å; L239-R243 WeakPolarHBondContact O-CB 3.3Å; L239-R243 PolarHBondContact O-N 3.16Å; K240-R243 PolarHBondContact O-N 2.77Å; A241-R243 VanDerWaalsContact C-N 3.34Å; A241-R243 PolarHBondContact O-N 2.79Å; R243-K247 WeakPolarHBondContact O-CB 3.48Å; R243-K247 PolarHBondContact O-N 3.43Å
244S76.9Confident74.5Confident60 Ų6068.3 Ų68.342%0.4237%0.371SS..Hα-helixtrans-63.2-45.9174.7-167.90000111.1K240 A241 K247 S248K240-S244 PolarHBondContact O-N 3.48Å; A241-S244 WeakPolarHBondContact O-CB 3.39Å; A241-S244 PolarHBondContact O-N 3.48Å; S244-K247 PolarHBondContact O-N 2.6Å; S244-S248 WeakPolarHBondContact O-CB 3.26Å; S244-S248 PolarHBondContact O-N 3.16Å; S244-S248 PolarHBondContact O-OG 3.36Å
245K81.1Confident76.3Confident86 Ų8665.4 Ų65.437%0.37434%0.341SS..Hα-helixtrans-57.4-51.6174.4173162.8178.11710112.1L219 A241 Q242 K247 S248 V249L219-K245 HydrophobicContact CD2-CB 4.03Å; L219-K245 HydrophobicContact CD2-CD 4.23Å; L219-K245 HydrophobicContact CD2-CG 3.9Å; L219-K245 WeakPolarHBondContact O-CE 3.28Å; L219-K245 PolarHBondContact O-NZ 2.92Å; A241-K245 PolarHBondContact O-N 2.67Å; Q242-K245 PolarHBondContact O-N 3.45Å; K245-K247 VanDerWaalsContact C-N 3.33Å; K245-K247 PolarHBondContact O-N 2.88Å; K245-S248 WeakPolarHBondContact O-CB 3.43Å; K245-S248 PolarHBondContact O-N 3.39Å; K245-S248 VanDerWaalsContact O-N 3.09Å; K245-V249 WeakPolarHBondContact O-CG2 3.21Å; K245-V249 PolarHBondContact O-N 3.1Å
246Q80.8Confident78.1Confident82 Ų8259.1 Ų59.138%0.38331%0.313SS..Hα-helixtrans-59.2-42.6178.4-75.6-177.7-16.700112.7Q242 S248 K250Q242-Q246 WeakPolarHBondContact O-CG 3.11Å; Q242-Q246 PolarHBondContact O-N 2.74Å; Q246-S248 PolarHBondContact O-N 2.99Å; Q246-K250 WeakPolarHBondContact O-CB 3.49Å; Q246-K250 VanDerWaalsContact O-CG 3.29Å; Q246-K250 WeakPolarHBondContact O-CG 3.42Å; Q246-K250 PolarHBondContact O-N 2.96Å
247K82.2Confident79.8Confident108 Ų10858.2 Ų58.247%0.4730%0.301SS..Hα-helixtrans-61.4-36.9177-175.8176.5-178.8176.50111.9R243 S244 K245 M251R243-K247 WeakPolarHBondContact O-CB 3.48Å; R243-K247 PolarHBondContact O-N 3.43Å; S244-K247 PolarHBondContact O-N 2.6Å; K245-K247 VanDerWaalsContact C-N 3.33Å; K245-K247 PolarHBondContact O-N 2.88Å; K247-M251 PolarHBondContact O-N 2.99Å
248S84.1Confident81.4Confident3 Ų357.1 Ų57.12%0.02129%0.29CS..Hα-helixtrans-72.4-48.7-179.1-52.70000111.5I129 S244 K245 Q246 K250 M251 I252I129-S248 VanDerWaalsContact CD1-CB 3.43Å; I129-S248 WeakPolarHBondContact CD1-OG 3.25Å; S244-S248 WeakPolarHBondContact O-CB 3.26Å; S244-S248 PolarHBondContact O-N 3.16Å; S244-S248 PolarHBondContact O-OG 3.36Å; K245-S248 WeakPolarHBondContact O-CB 3.43Å; K245-S248 PolarHBondContact O-N 3.39Å; K245-S248 VanDerWaalsContact O-N 3.09Å; Q246-S248 PolarHBondContact O-N 2.99Å; S248-K250 VanDerWaalsContact C-N 3.28Å; S248-K250 PolarHBondContact O-N 2.7Å; S248-M251 PolarHBondContact O-N 3Å; S248-M251 VanDerWaalsContact O-N 3.1Å; S248-I252 WeakPolarHBondContact O-CG1 3.37Å; S248-I252 PolarHBondContact O-N 3.01Å
249V85.2Confident82.7Confident62 Ų6255.1 Ų55.138%0.37627%0.269SS..Hα-helixtrans-56.1-45.4174172.40000111L219 K245 M251 I252 I253L219-V249 HydrophobicContact CD1-CG2 4.06Å; K245-V249 WeakPolarHBondContact O-CG2 3.21Å; K245-V249 PolarHBondContact O-N 3.1Å; V249-M251 PolarHBondContact O-N 3.01Å; V249-I252 WeakPolarHBondContact O-CB 3.01Å; V249-I252 PolarHBondContact O-N 3.34Å; V249-I253 HydrophobicContact CG1-CD1 4.03Å; V249-I253 WeakPolarHBondContact O-CG1 3.09Å; V249-I253 PolarHBondContact O-N 3.29Å
250K83.8Confident83.9Confident39 Ų3955.9 Ų55.917%0.1727%0.272CS..Hα-helixtrans-55.8-54.4174.5-78.5168.5168.7-179.60110.5Q246 S248 I252 I253 I254 A320 D323Q246-K250 WeakPolarHBondContact O-CB 3.49Å; Q246-K250 VanDerWaalsContact O-CG 3.29Å; Q246-K250 WeakPolarHBondContact O-CG 3.42Å; Q246-K250 PolarHBondContact O-N 2.96Å; S248-K250 VanDerWaalsContact C-N 3.28Å; S248-K250 PolarHBondContact O-N 2.7Å; K250-I252 VanDerWaalsContact C-N 3.26Å; K250-I252 PolarHBondContact O-N 3.27Å; K250-I253 WeakPolarHBondContact O-CA 3.14Å; K250-I253 WeakPolarHBondContact O-CB 3.24Å; K250-I253 PolarHBondContact O-N 2.89Å; K250-I254 VanDerWaalsContact O-CG1 3.27Å; K250-I254 WeakPolarHBondContact O-CG1 3.21Å; K250-I254 PolarHBondContact O-N 2.99Å; K250-A320 HydrophobicContact CB-CB 4.02Å; K250-A320 HydrophobicContact CD-CB 3.85Å; K250-A320 HydrophobicContact CG-CB 4.26Å; K250-A320 PolarHBondContact NZ-O 3.02Å; K250-D323 IonicContact NZ-OD2 3.05Å
251M84.9Confident85Confident10 Ų1054 Ų545%0.04927%0.268CS..Hα-helixtrans-59.4-37.1-178.1-157179.5109.500113.4I121 S122 R125 Y212 K247 S248 V249 I254 V255I121-M251 HydrophobicContact CB-CE 4.06Å; I121-M251 HydrophobicContact CG2-CE 3.3Å; I121-M251 HydrophobicContact CG2-CG 4.45Å; I121-M251 HydrophobicContact CG2-SD 3.26Å; I121-M251 WeakPolarHBondContact CG2-SD 3.2Å; I121-M251 VanDerWaalsContact O-CE 3.29Å; I121-M251 WeakPolarHBondContact O-CE 3.28Å; S122-M251 VanDerWaalsContact CA-CE 3.45Å; R125-M251 HydrophobicContact CB-CE 4.01Å; R125-M251 HydrophobicContact CB-SD 4.36Å; R125-M251 HydrophobicContact CG-CE 3.42Å; R125-M251 VanDerWaalsContact CG-CE 3.42Å; R125-M251 HydrophobicContact CG-SD 3.21Å; R125-M251 WeakPolarHBondContact CG-SD 3.33Å; Y212-M251 WeakPolarHBondContact OH-CE 3.42Å; K247-M251 PolarHBondContact O-N 2.99Å; S248-M251 PolarHBondContact O-N 3Å; S248-M251 VanDerWaalsContact O-N 3.1Å; V249-M251 PolarHBondContact O-N 3.01Å; M251-I254 PolarHBondContact O-N 2.72Å; M251-V255 HydrophobicContact CG-CG2 4.33Å; M251-V255 WeakPolarHBondContact O-CG2 3.48Å; M251-V255 PolarHBondContact O-N 3.43Å
252I88.8Confident86.1Confident15 Ų1553.6 Ų53.68%0.07726%0.264CS..Hα-helixtrans-56.2-52.2171.8-67.4167.4000110.1Y212 M215 V216 S248 V249 K250 I254 V255 L256Y212-I252 HydrophobicContact CD1-CG1 3.93Å; Y212-I252 HydrophobicContact CD2-CB 4.21Å; Y212-I252 HydrophobicContact CD2-CG1 4.1Å; Y212-I252 HydrophobicContact CD2-CG2 3.86Å; Y212-I252 HydrophobicContact CE1-CG1 4.12Å; Y212-I252 HydrophobicContact CE2-CB 4.26Å; Y212-I252 HydrophobicContact CE2-CG1 4.27Å; Y212-I252 HydrophobicContact CE2-CG2 4.3Å; Y212-I252 HydrophobicContact CG-CB 4.5Å; Y212-I252 HydrophobicContact CG-CG1 3.91Å; Y212-I252 HydrophobicContact CG-CG2 4.26Å; M215-I252 HydrophobicContact CG-CD1 4.24Å; M215-I252 HydrophobicContact SD-CD1 3.71Å; M215-I252 HydrophobicContact SD-CG1 3.94Å; V216-I252 HydrophobicContact CG2-CD1 3.86Å; S248-I252 WeakPolarHBondContact O-CG1 3.37Å; S248-I252 PolarHBondContact O-N 3.01Å; V249-I252 WeakPolarHBondContact O-CB 3.01Å; V249-I252 PolarHBondContact O-N 3.34Å; K250-I252 VanDerWaalsContact C-N 3.26Å; K250-I252 PolarHBondContact O-N 3.27Å; I252-I254 VanDerWaalsContact C-N 3.32Å; I252-I254 PolarHBondContact O-N 2.68Å; I252-V255 PolarHBondContact O-N 3.01Å; I252-L256 HydrophobicContact CG2-CD1 3.61Å; I252-L256 HydrophobicContact CG2-CG 4.19Å; I252-L256 VanDerWaalsContact O-CB 3.3Å; I252-L256 WeakPolarHBondContact O-CB 3.47Å; I252-L256 VanDerWaalsContact O-CG 3.23Å; I252-L256 WeakPolarHBondContact O-CG 3.39Å; I252-L256 PolarHBondContact O-N 3.4Å
253I88Confident87.2Confident104 Ų10448.6 Ų48.653%0.53324%0.241SC..Hα-helixtrans-58.7-45.1178.9-64.8165.6000110.8V249 K250 A257V249-I253 HydrophobicContact CG1-CD1 4.03Å; V249-I253 WeakPolarHBondContact O-CG1 3.09Å; V249-I253 PolarHBondContact O-N 3.29Å; K250-I253 WeakPolarHBondContact O-CA 3.14Å; K250-I253 WeakPolarHBondContact O-CB 3.24Å; K250-I253 PolarHBondContact O-N 2.89Å; I253-A257 VanDerWaalsContact O-CB 3.24Å; I253-A257 WeakPolarHBondContact O-CB 3.3Å; I253-A257 PolarHBondContact O-N 3.46Å
254I87.1Confident88.2Confident6 Ų643.7 Ų43.73%0.03123%0.226CC..Hα-helixtrans-57.3-55.8-179.4-60.1-172.4000110.9K250 M251 I252 A257 A258 L316 Y317 A320K250-I254 VanDerWaalsContact O-CG1 3.27Å; K250-I254 WeakPolarHBondContact O-CG1 3.21Å; K250-I254 PolarHBondContact O-N 2.99Å; M251-I254 PolarHBondContact O-N 2.72Å; I252-I254 VanDerWaalsContact C-N 3.32Å; I252-I254 PolarHBondContact O-N 2.68Å; I254-A257 PolarHBondContact O-N 3.38Å; I254-A258 PolarHBondContact O-N 3.42Å; I254-L316 HydrophobicContact CB-CB 4.11Å; I254-L316 HydrophobicContact CB-CD1 4.3Å; I254-L316 HydrophobicContact CD1-CB 3.86Å; I254-L316 VanDerWaalsContact CD1-O 3.23Å; I254-L316 WeakPolarHBondContact CD1-O 3.49Å; I254-L316 HydrophobicContact CG1-CB 3.7Å; I254-L316 HydrophobicContact CG2-CB 3.64Å; I254-L316 HydrophobicContact CG2-CD1 3.96Å; I254-L316 HydrophobicContact CG2-CG 4.45Å; I254-Y317 HydrophobicContact CD1-CD1 3.96Å; I254-Y317 HydrophobicContact CD1-CE1 4.26Å; I254-Y317 HydrophobicContact CD1-CG 4.37Å; I254-A320 HydrophobicContact CD1-CB 3.92Å
255V89.3Confident89.2Confident0 Ų042.4 Ų42.40%022%0.216CC..Hα-helixtrans-70.2-39.4-172.71720000110.7L118 V208 Y212 M251 I252 A257 A258 F259L118-V255 HydrophobicContact CB-CG1 4.42Å; L118-V255 HydrophobicContact CD2-CG2 4.01Å; V208-V255 HydrophobicContact CG1-CG1 3.79Å; Y212-V255 HydrophobicContact CE2-CB 3.74Å; Y212-V255 HydrophobicContact CE2-CG1 3.81Å; Y212-V255 WeakPolarHBondContact OH-CB 3.28Å; Y212-V255 WeakPolarHBondContact OH-CG1 3.34Å; Y212-V255 WeakPolarHBondContact OH-CG2 3.34Å; M251-V255 HydrophobicContact CG-CG2 4.33Å; M251-V255 WeakPolarHBondContact O-CG2 3.48Å; M251-V255 PolarHBondContact O-N 3.43Å; I252-V255 PolarHBondContact O-N 3.01Å; V255-A257 VanDerWaalsContact C-N 3.35Å; V255-A257 PolarHBondContact O-N 3.02Å; V255-A258 PolarHBondContact O-N 2.88Å; V255-F259 HydrophobicContact CG1-CD2 3.71Å; V255-F259 HydrophobicContact CG1-CE2 3.63Å; V255-F259 VanDerWaalsContact O-CD2 3.26Å; V255-F259 WeakPolarHBondContact O-CD2 3.45Å; V255-F259 PolarHBondContact O-N 3.37Å
256L91.3Very high89.9Confident53 Ų5338.3 Ų38.328%0.27720%0.198SC..Hα-helixtrans-61.8-42.4173.8-70.9179.8000111.7M209 Y212 I252 F259 M260M209-L256 HydrophobicContact CE-CD2 4.11Å; M209-L256 HydrophobicContact SD-CD2 3.48Å; M209-L256 WeakPolarHBondContact SD-CD2 3.32Å; Y212-L256 HydrophobicContact CD2-CD2 4.11Å; Y212-L256 HydrophobicContact CD2-CG 4.05Å; Y212-L256 HydrophobicContact CE2-CG 4.34Å; I252-L256 HydrophobicContact CG2-CD1 3.61Å; I252-L256 HydrophobicContact CG2-CG 4.19Å; I252-L256 VanDerWaalsContact O-CB 3.3Å; I252-L256 WeakPolarHBondContact O-CB 3.47Å; I252-L256 VanDerWaalsContact O-CG 3.23Å; I252-L256 WeakPolarHBondContact O-CG 3.39Å; I252-L256 PolarHBondContact O-N 3.4Å; L256-F259 PolarHBondContact O-N 2.87Å; L256-M260 WeakPolarHBondContact O-CB 3.05Å; L256-M260 VanDerWaalsContact O-CG 3.24Å; L256-M260 WeakPolarHBondContact O-CG 3.28Å; L256-M260 PolarHBondContact O-N 2.98Å
257A90.8Very high90.7Very high26 Ų2634.5 Ų34.522%0.21518%0.181CC..Hα-helixtrans-62.1-43.5175.800000111.7I253 I254 V255 F259 M260 L261 L316I253-A257 VanDerWaalsContact O-CB 3.24Å; I253-A257 WeakPolarHBondContact O-CB 3.3Å; I253-A257 PolarHBondContact O-N 3.46Å; I254-A257 PolarHBondContact O-N 3.38Å; V255-A257 VanDerWaalsContact C-N 3.35Å; V255-A257 PolarHBondContact O-N 3.02Å; A257-F259 PolarHBondContact O-N 2.98Å; A257-M260 PolarHBondContact O-N 3.37Å; A257-L261 HydrophobicContact CB-CD1 4.35Å; A257-L261 WeakPolarHBondContact O-CB 3.29Å; A257-L261 VanDerWaalsContact O-CG 3.27Å; A257-L261 WeakPolarHBondContact O-CG 3.22Å; A257-L261 PolarHBondContact O-N 2.82Å; A257-L316 HydrophobicContact CB-CD1 4.07Å
258A91.8Very high91.4Very high0 Ų034.1 Ų34.10%018%0.183CC..Hα-helixtrans-59-47.9175.700000111.9L118 I254 V255 C262 F263L118-A258 HydrophobicContact CD1-CB 4.25Å; I254-A258 PolarHBondContact O-N 3.42Å; V255-A258 PolarHBondContact O-N 2.88Å; A258-C262 WeakPolarHBondContact O-CA 3.41Å; A258-C262 WeakPolarHBondContact O-CB 3.41Å; A258-C262 PolarHBondContact O-N 3.1Å; A258-F263 HydrophobicContact CB-CE2 4.22Å; A258-F263 PolarHBondContact O-N 2.81Å
259F93.1Very high92Very high0 Ų034.9 Ų34.90%019%0.188CC..Iπ-helixtrans-63-46.9176.6-83.4-74.1000113.1I115 F201 F205 V208 V255 L256 A257 F263 L264I115-F259 HydrophobicContact CG1-CE1 4.23Å; I115-F259 HydrophobicContact CG2-CE1 3.98Å; I115-F259 HydrophobicContact CG2-CZ 4.02Å; F201-F259 HydrophobicContact CD2-CE1 4.42Å; F201-F259 HydrophobicContact CE2-CD1 4.06Å; F201-F259 HydrophobicContact CE2-CE1 4.33Å; F205-F259 HydrophobicContact CB-CD1 4.4Å; F205-F259 HydrophobicContact CB-CE1 4.09Å; F205-F259 HydrophobicContact CD2-CB 4.03Å; F205-F259 AromaticContact CD2-CD1 3.45Å; F205-F259 HydrophobicContact CD2-CD1 3.45Å; F205-F259 VanDerWaalsContact CD2-CD1 3.45Å; F205-F259 HydrophobicContact CD2-CD2 4.24Å; F205-F259 AromaticContact CD2-CE1 3.9Å; F205-F259 HydrophobicContact CD2-CE1 3.9Å; F205-F259 AromaticContact CD2-CG 3.65Å; F205-F259 HydrophobicContact CD2-CG 3.65Å; F205-F259 HydrophobicContact CD2-CZ 4.47Å; F205-F259 HydrophobicContact CE2-CB 3.85Å; F205-F259 HydrophobicContact CE2-CD1 4.16Å; F205-F259 AromaticContact CE2-CG 4Å; F205-F259 HydrophobicContact CE2-CG 4Å; F205-F259 HydrophobicContact CG-CD1 4.34Å; F205-F259 HydrophobicContact CG-CE1 4.49Å; V208-F259 HydrophobicContact CB-CE2 4.31Å; V208-F259 HydrophobicContact CG1-CD2 4.49Å; V208-F259 HydrophobicContact CG1-CE2 4.09Å; V208-F259 HydrophobicContact CG2-CE2 4.01Å; V208-F259 HydrophobicContact CG2-CZ 4.25Å; V255-F259 HydrophobicContact CG1-CD2 3.71Å; V255-F259 HydrophobicContact CG1-CE2 3.63Å; V255-F259 VanDerWaalsContact O-CD2 3.26Å; V255-F259 WeakPolarHBondContact O-CD2 3.45Å; V255-F259 PolarHBondContact O-N 3.37Å; L256-F259 PolarHBondContact O-N 2.87Å; A257-F259 PolarHBondContact O-N 2.98Å; F259-F263 HydrophobicContact CD1-CB 4.17Å; F259-F263 AromaticContact CD1-CD2 3.64Å; F259-F263 HydrophobicContact CD1-CD2 3.64Å; F259-F263 HydrophobicContact CD1-CG 4.38Å; F259-F263 AromaticContact CE1-CD2 3.95Å; F259-F263 HydrophobicContact CE1-CD2 3.95Å; F259-F263 HydrophobicContact CG-CD2 4.02Å; F259-F263 PolarHBondContact O-N 3.44Å; F259-L264 WeakPolarHBondContact O-CB 3.49Å; F259-L264 PolarHBondContact O-N 3.19Å
260M92.8Very high92.6Very high103 Ų10332.1 Ų32.151%0.50717%0.17SC..Iπ-helixtrans-72.7-36.2-174.9-68.5-58.2-64.100113.1L256 A257 L264 P265L256-M260 WeakPolarHBondContact O-CB 3.05Å; L256-M260 VanDerWaalsContact O-CG 3.24Å; L256-M260 WeakPolarHBondContact O-CG 3.28Å; L256-M260 PolarHBondContact O-N 2.98Å; A257-M260 PolarHBondContact O-N 3.37Å; M260-L264 HydrophobicContact CE-CD2 4.03Å; M260-L264 HydrophobicContact SD-CD2 3.75Å; M260-P265 VanDerWaalsContact O-CD 3.26Å; M260-P265 WeakPolarHBondContact O-CD 3.43Å; M260-P265 VanDerWaalsContact O-CG 3.23Å; M260-P265 WeakPolarHBondContact O-CG 3.36Å
261L92.8Very high93.2Very high106 Ų10632.6 Ų32.656%0.55518%0.179SC*.Iπ-helixtrans-91.2-38.1-175.8-59.5176.1000112.3A257 L305A257-L261 HydrophobicContact CB-CD1 4.35Å; A257-L261 WeakPolarHBondContact O-CB 3.29Å; A257-L261 VanDerWaalsContact O-CG 3.27Å; A257-L261 WeakPolarHBondContact O-CG 3.22Å; A257-L261 PolarHBondContact O-N 2.82Å; L261-L305 WeakPolarHBondContact O-CB 3.4Å
262C94.8Very high93.7Very high3 Ų335.7 Ų35.72%0.0220%0.195CC..Iπ-helixtrans-104.8-47.3-169.1-51.90000112.7A258 L305 A306 N309A258-C262 WeakPolarHBondContact O-CA 3.41Å; A258-C262 WeakPolarHBondContact O-CB 3.41Å; A258-C262 PolarHBondContact O-N 3.1Å; C262-L305 WeakPolarHBondContact CA-O 3.45Å; C262-L305 VanDerWaalsContact CB-O 3.22Å; C262-L305 WeakPolarHBondContact CB-O 3.3Å; C262-L305 PolarHBondContact SG-O 3.46Å; C262-A306 VanDerWaalsContact O-CA 3.28Å; C262-A306 WeakPolarHBondContact O-CA 3.31Å; C262-A306 PolarHBondContact O-N 3.35Å; C262-N309 HydrophobicContact CB-CB 3.86Å
263F96.3Very high94.1Very high0 Ų036.2 Ų36.20%020%0.197CC..Iπ-helixtrans-91.9-52.3-169.6-54.5-44.7000113.8L111 I115 L118 F201 A258 F259 F266 H267 N309L111-F263 HydrophobicContact CD1-CD1 3.48Å; L111-F263 VanDerWaalsContact CD1-CD1 3.48Å; L111-F263 HydrophobicContact CD1-CE1 3.82Å; I115-F263 HydrophobicContact CD1-CB 4.49Å; I115-F263 HydrophobicContact CD1-CD1 4.28Å; I115-F263 HydrophobicContact CD1-CG 4.2Å; I115-F263 HydrophobicContact CG1-CD1 4.12Å; I115-F263 HydrophobicContact CG1-CD2 3.79Å; I115-F263 HydrophobicContact CG1-CE1 4.18Å; I115-F263 HydrophobicContact CG1-CE2 3.88Å; I115-F263 HydrophobicContact CG1-CG 3.92Å; I115-F263 HydrophobicContact CG1-CZ 4.05Å; L118-F263 HydrophobicContact CD1-CE2 3.58Å; L118-F263 HydrophobicContact CD1-CZ 4Å; F201-F263 HydrophobicContact CD2-CB 4.24Å; F201-F263 HydrophobicContact CE2-CB 3.82Å; A258-F263 HydrophobicContact CB-CE2 4.22Å; A258-F263 PolarHBondContact O-N 2.81Å; F259-F263 HydrophobicContact CD1-CB 4.17Å; F259-F263 AromaticContact CD1-CD2 3.64Å; F259-F263 HydrophobicContact CD1-CD2 3.64Å; F259-F263 HydrophobicContact CD1-CG 4.38Å; F259-F263 AromaticContact CE1-CD2 3.95Å; F259-F263 HydrophobicContact CE1-CD2 3.95Å; F259-F263 HydrophobicContact CG-CD2 4.02Å; F259-F263 PolarHBondContact O-N 3.44Å; F263-F266 PolarHBondContact O-N 2.93Å; F263-H267 PolarHBondContact O-CD2 2.84Å; F263-H267 PolarHBondContact O-N 3.23Å; F263-N309 HydrophobicContact CE1-CB 3.84Å; F263-N309 HydrophobicContact CZ-CB 4.05Å; F263-N309 WeakPolarHBondContact CZ-OD1 3.11Å
264L96.3Very high94.4Very high52 Ų5231.4 Ų31.427%0.27217%0.172SC..Hα-helixtrans-59.6-45.9-174.617966.1000112.8F201 F259 M260 F266 H267 L268F201-L264 HydrophobicContact CE1-CD1 4.27Å; F201-L264 HydrophobicContact CZ-CB 4.18Å; F201-L264 HydrophobicContact CZ-CD1 3.79Å; F259-L264 WeakPolarHBondContact O-CB 3.49Å; F259-L264 PolarHBondContact O-N 3.19Å; M260-L264 HydrophobicContact CE-CD2 4.03Å; M260-L264 HydrophobicContact SD-CD2 3.75Å; L264-F266 VanDerWaalsContact C-N 3.32Å; L264-F266 PolarHBondContact O-N 3.23Å; L264-H267 PolarHBondContact O-N 3.33Å; L264-L268 VanDerWaalsContact O-CB 3.26Å; L264-L268 WeakPolarHBondContact O-CB 3.21Å; L264-L268 PolarHBondContact O-N 3.47Å
265P97.3Very high94.8Very high32 Ų3233.7 Ų33.721%0.20819%0.188CC..Hα-helixtrans-60.8-41.8179.5-23.835.6000112.3M260 T269 T302 L305M260-P265 VanDerWaalsContact O-CD 3.26Å; M260-P265 WeakPolarHBondContact O-CD 3.43Å; M260-P265 VanDerWaalsContact O-CG 3.23Å; M260-P265 WeakPolarHBondContact O-CG 3.36Å; P265-T269 WeakPolarHBondContact O-CB 3.21Å; P265-T269 VanDerWaalsContact O-CG2 3.3Å; P265-T269 WeakPolarHBondContact O-CG2 3.24Å; P265-T269 PolarHBondContact O-N 2.77Å; P265-T269 PolarHBondContact O-OG1 3.2Å; P265-T302 HydrophobicContact CB-CG2 3.72Å; P265-L305 HydrophobicContact CB-CD1 4.24Å
266F96.7Very high95.1Very high0 Ų035.8 Ų35.80%020%0.197CC..Hα-helixtrans-64.8-49.1177.9170.5-100.3000112.1F107 Y108 L111 F263 L264 L268 T269 R270 Y299 R303 A306F107-F266 HydrophobicContact CE1-CE1 4.45Å; F107-F266 HydrophobicContact CE1-CE2 4.3Å; F107-F266 AromaticContact CE1-CZ 3.79Å; F107-F266 HydrophobicContact CE1-CZ 3.79Å; F107-F266 HydrophobicContact CZ-CE1 4.4Å; F107-F266 AromaticContact CZ-CE2 3.97Å; F107-F266 HydrophobicContact CZ-CE2 3.97Å; F107-F266 AromaticContact CZ-CZ 3.81Å; F107-F266 HydrophobicContact CZ-CZ 3.81Å; Y108-F266 HydrophobicContact CE1-CE1 4.5Å; Y108-F266 HydrophobicContact CE1-CZ 4.23Å; L111-F266 HydrophobicContact CD2-CD1 3.84Å; L111-F266 HydrophobicContact CD2-CE1 3.39Å; L111-F266 HydrophobicContact CD2-CZ 4.33Å; F263-F266 PolarHBondContact O-N 2.93Å; L264-F266 VanDerWaalsContact C-N 3.32Å; L264-F266 PolarHBondContact O-N 3.23Å; F266-L268 VanDerWaalsContact C-N 3.35Å; F266-L268 PolarHBondContact O-N 2.77Å; F266-T269 PolarHBondContact O-OG1 2.98Å; F266-R270 WeakPolarHBondContact O-CB 3.27Å; F266-R270 PolarHBondContact O-N 3.14Å; F266-Y299 HydrophobicContact CD2-CE2 4.25Å; F266-Y299 HydrophobicContact CE2-CD2 4.31Å; F266-Y299 AromaticContact CE2-CE2 3.58Å; F266-Y299 HydrophobicContact CE2-CE2 3.58Å; F266-Y299 HydrophobicContact CZ-CE2 4.24Å; F266-R303 HydrophobicContact CD2-CG 3.89Å; F266-R303 HydrophobicContact CE2-CG 3.64Å; F266-A306 HydrophobicContact CB-CB 3.95Å; F266-A306 HydrophobicContact CD1-CB 4.35Å; F266-A306 HydrophobicContact CD2-CB 4.28Å; F266-A306 HydrophobicContact CG-CB 3.92Å
267H97.4Very high95.1Very high3 Ų335.4 Ų35.41%0.01419%0.192CC..Hα-helixtrans-65.4-38.8-179.2-76.4-66.9000112.4Y112 F201 F263 L264 R270 S271Y112-H267 AromaticContact CE1-CE1 3.6Å; Y112-H267 AromaticContact CZ-CE1 3.87Å; F201-H267 HydrophobicContact CD1-CB 3.78Å; F201-H267 AromaticContact CD1-CD2 3.73Å; F201-H267 AromaticContact CD1-CG 3.64Å; F201-H267 AromaticContact CD2-CD2 3.15Å; F201-H267 WeakPolarHBondContact CD2-CD2 3.49Å; F201-H267 AromaticContact CD2-CG 3.94Å; F201-H267 AromaticContact CD2-NE2 3.53Å; F201-H267 HydrophobicContact CE1-CB 3.67Å; F201-H267 AromaticContact CE1-CG 3.96Å; F201-H267 AromaticContact CE2-CD2 3.49Å; F201-H267 VanDerWaalsContact CE2-CD2 3.49Å; F201-H267 WeakPolarHBondContact CE2-CD2 3.14Å; F201-H267 HydrophobicContact CG-CB 4.27Å; F201-H267 AromaticContact CG-CD2 3.28Å; F201-H267 WeakPolarHBondContact CG-CD2 3.21Å; F201-H267 AromaticContact CG-CG 3.63Å; F201-H267 AromaticContact CG-NE2 3.57Å; F201-H267 HydrophobicContact CZ-CB 4.07Å; F201-H267 AromaticContact CZ-CD2 3.93Å; F263-H267 PolarHBondContact O-CD2 2.84Å; F263-H267 PolarHBondContact O-N 3.23Å; L264-H267 PolarHBondContact O-N 3.33Å; H267-R270 PolarHBondContact CE1-NH2 3.17Å; H267-R270 PolarHBondContact ND1-NH2 3.25Å; H267-S271 WeakPolarHBondContact O-CB 3.21Å; H267-S271 PolarHBondContact O-N 3.35Å; H267-S271 PolarHBondContact O-OG 3.06Å
268L97.3Very high95.3Very high100 Ų10038 Ų3852%0.52420%0.197SC..Hα-helixtrans-65.5-54.6178.9-179.962.2000111L264 F266 R270 S271 L272L264-L268 VanDerWaalsContact O-CB 3.26Å; L264-L268 WeakPolarHBondContact O-CB 3.21Å; L264-L268 PolarHBondContact O-N 3.47Å; F266-L268 VanDerWaalsContact C-N 3.35Å; F266-L268 PolarHBondContact O-N 2.77Å; L268-R270 PolarHBondContact O-N 2.84Å; L268-S271 PolarHBondContact O-N 3.3Å; L268-L272 HydrophobicContact CD1-CD1 4.28Å; L268-L272 HydrophobicContact CD1-CG 4.46Å; L268-L272 HydrophobicContact CG-CD1 4.15Å; L268-L272 WeakPolarHBondContact O-CG 3.26Å; L268-L272 PolarHBondContact O-N 3.47Å
269T97.3Very high95.3Very high19 Ų1941 Ų4112%0.11721%0.213CC..Hα-helixtrans-66.1-36.9-178.155.80000112.5P265 F266 L272 Y273 A298 T302P265-T269 WeakPolarHBondContact O-CB 3.21Å; P265-T269 VanDerWaalsContact O-CG2 3.3Å; P265-T269 WeakPolarHBondContact O-CG2 3.24Å; P265-T269 PolarHBondContact O-N 2.77Å; P265-T269 PolarHBondContact O-OG1 3.2Å; F266-T269 PolarHBondContact O-OG1 2.98Å; T269-L272 PolarHBondContact O-N 2.9Å; T269-Y273 WeakPolarHBondContact O-CB 3.41Å; T269-Y273 PolarHBondContact O-N 2.88Å; T269-A298 HydrophobicContact CG2-CB 3.79Å; T269-T302 HydrophobicContact CG2-CG2 3.88Å; T269-T302 PolarHBondContact OG1-OG1 2.89Å
270R96.3Very high95.2Very high3 Ų342.1 Ų42.11%0.01122%0.217CC..Hα-helixtrans-59.8-48.6172.3-176.3-178.767.4-179.2-5.5111.6Y112 S197 F266 H267 L268 L272 Y273 Y274 Y299Y112-R270 PolarHBondContact OH-NH1 2.94Å; Y112-R270 PolarHBondContact OH-NH2 2.83Å; S197-R270 PolarHBondContact OG-NH2 3.25Å; F266-R270 WeakPolarHBondContact O-CB 3.27Å; F266-R270 PolarHBondContact O-N 3.14Å; H267-R270 PolarHBondContact CE1-NH2 3.17Å; H267-R270 PolarHBondContact ND1-NH2 3.25Å; L268-R270 PolarHBondContact O-N 2.84Å; R270-L272 VanDerWaalsContact C-N 3.35Å; R270-Y273 PolarHBondContact O-N 3.41Å; R270-Y274 HydrophobicContact CG-CD1 4.34Å; R270-Y274 HydrophobicContact CG-CD2 4.2Å; R270-Y274 HydrophobicContact CG-CE1 3.86Å; R270-Y274 HydrophobicContact CG-CE2 3.73Å; R270-Y274 HydrophobicContact CG-CG 4.46Å; R270-Y274 WeakPolarHBondContact O-CD1 3.35Å; R270-Y274 PolarHBondContact O-N 2.99Å; R270-Y299 HydrophobicContact CB-CD2 3.71Å; R270-Y299 HydrophobicContact CB-CE2 3.7Å; R270-Y299 HydrophobicContact CG-CD2 4.17Å; R270-Y299 HydrophobicContact CG-CE2 3.73Å
271S96.4Very high95.1Very high50 Ų5042 Ų4235%0.3522%0.215SC..Hα-helixtrans-64.1-42.3-179.1-54.30000111H267 L268 Y274 S275H267-S271 WeakPolarHBondContact O-CB 3.21Å; H267-S271 PolarHBondContact O-N 3.35Å; H267-S271 PolarHBondContact O-OG 3.06Å; L268-S271 PolarHBondContact O-N 3.3Å; S271-Y274 PolarHBondContact O-N 3.36Å; S271-S275 VanDerWaalsContact O-CB 3.31Å; S271-S275 WeakPolarHBondContact O-CB 3.26Å; S271-S275 PolarHBondContact O-N 3.46Å; S271-S275 PolarHBondContact O-OG 3.3Å
272L96.4Very high95Very high75 Ų7542.5 Ų42.539%0.39322%0.216SC..Hα-helixtrans-60.6-49.5174.6-71.3172.2000111.7L268 T269 R270 Y274 S275 F276L268-L272 HydrophobicContact CD1-CD1 4.28Å; L268-L272 HydrophobicContact CD1-CG 4.46Å; L268-L272 HydrophobicContact CG-CD1 4.15Å; L268-L272 WeakPolarHBondContact O-CG 3.26Å; L268-L272 PolarHBondContact O-N 3.47Å; T269-L272 PolarHBondContact O-N 2.9Å; R270-L272 VanDerWaalsContact C-N 3.35Å; L272-Y274 PolarHBondContact O-N 3.26Å; L272-S275 PolarHBondContact O-N 2.95Å; L272-F276 HydrophobicContact CB-CE2 4.47Å; L272-F276 HydrophobicContact CD2-CE1 4.46Å; L272-F276 HydrophobicContact CD2-CZ 4.11Å; L272-F276 VanDerWaalsContact O-CB 3.31Å; L272-F276 WeakPolarHBondContact O-CB 3.23Å; L272-F276 WeakPolarHBondContact O-CG 3.35Å; L272-F276 PolarHBondContact O-N 3.37Å
273Y95.9Very high94.7Very high26 Ų2645.2 Ų45.210%0.10223%0.23CC..Hα-helixtrans-60.4-44.1179.6173.7-117.1000112.1T269 R270 R277 L292 A295 Y299T269-Y273 WeakPolarHBondContact O-CB 3.41Å; T269-Y273 PolarHBondContact O-N 2.88Å; R270-Y273 PolarHBondContact O-N 3.41Å; Y273-R277 VanDerWaalsContact O-CB 3.28Å; Y273-R277 WeakPolarHBondContact O-CB 3.39Å; Y273-R277 PolarHBondContact O-N 3.49Å; Y273-L292 HydrophobicContact CD2-CD1 4Å; Y273-L292 HydrophobicContact CE2-CD1 3.99Å; Y273-A295 HydrophobicContact CD2-CB 4.34Å; Y273-Y299 AromaticContact CD1-CD1 3.75Å; Y273-Y299 HydrophobicContact CD1-CD1 3.75Å; Y273-Y299 HydrophobicContact CD1-CE1 4.26Å; Y273-Y299 HydrophobicContact CD1-CG 4.28Å; Y273-Y299 HydrophobicContact CE1-CD1 4.19Å; Y273-Y299 HydrophobicContact CE1-CE1 4.49Å; Y273-Y299 HydrophobicContact CG-CD1 4.42Å
274Y95.7Very high94.4Very high3 Ų348 Ų481%0.01225%0.249CC..Hα-helixtrans-69-42.8-179.7-67.12.5000111.8T180 F186 F189 L190 R270 S271 L272 R277 Y278T180-Y274 HydrophobicContact CG2-CE1 3.58Å; T180-Y274 WeakPolarHBondContact CG2-OH 3.46Å; F186-Y274 HydrophobicContact CE2-CD1 4.26Å; F186-Y274 HydrophobicContact CE2-CG 4.3Å; F186-Y274 HydrophobicContact CZ-CG 4.37Å; F189-Y274 HydrophobicContact CD1-CE2 4.14Å; F189-Y274 AromaticContact CE1-CE2 3.56Å; F189-Y274 HydrophobicContact CE1-CE2 3.56Å; F189-Y274 AromaticContact CE1-CZ 3.74Å; F189-Y274 WeakPolarHBondContact CE1-OH 3.35Å; L190-Y274 HydrophobicContact CD1-CD2 4.38Å; R270-Y274 HydrophobicContact CG-CD1 4.34Å; R270-Y274 HydrophobicContact CG-CD2 4.2Å; R270-Y274 HydrophobicContact CG-CE1 3.86Å; R270-Y274 HydrophobicContact CG-CE2 3.73Å; R270-Y274 HydrophobicContact CG-CG 4.46Å; R270-Y274 WeakPolarHBondContact O-CD1 3.35Å; R270-Y274 PolarHBondContact O-N 2.99Å; S271-Y274 PolarHBondContact O-N 3.36Å; L272-Y274 PolarHBondContact O-N 3.26Å; Y274-R277 PolarHBondContact O-N 2.8Å; Y274-Y278 WeakPolarHBondContact O-CB 3.21Å; Y274-Y278 PolarHBondContact O-N 3.13Å
275S94.7Very high94Very high54 Ų5450.1 Ų50.138%0.37827%0.268SS..Hα-helixtrans-62.1-45.6175.8-650000111.7S271 L272 R277 Y278 L279S271-S275 VanDerWaalsContact O-CB 3.31Å; S271-S275 WeakPolarHBondContact O-CB 3.26Å; S271-S275 PolarHBondContact O-N 3.46Å; S271-S275 PolarHBondContact O-OG 3.3Å; L272-S275 PolarHBondContact O-N 2.95Å; S275-R277 VanDerWaalsContact C-N 3.34Å; S275-R277 PolarHBondContact O-N 3.36Å; S275-Y278 PolarHBondContact O-N 3.32Å; S275-L279 VanDerWaalsContact O-CG 3.3Å; S275-L279 WeakPolarHBondContact O-CG 3.18Å; S275-L279 PolarHBondContact O-N 3.34Å
276F95.1Very high93.7Very high44 Ų4453.5 Ų53.519%0.19328%0.281CS..Hα-helixtrans-64.9-37.9177.7-69.5-8.9000112.4L272 R280 I287 L291 L292 A295L272-F276 HydrophobicContact CB-CE2 4.47Å; L272-F276 HydrophobicContact CD2-CE1 4.46Å; L272-F276 HydrophobicContact CD2-CZ 4.11Å; L272-F276 VanDerWaalsContact O-CB 3.31Å; L272-F276 WeakPolarHBondContact O-CB 3.23Å; L272-F276 WeakPolarHBondContact O-CG 3.35Å; L272-F276 PolarHBondContact O-N 3.37Å; F276-R280 WeakPolarHBondContact O-CB 3.41Å; F276-R280 PolarHBondContact O-N 3.06Å; F276-I287 HydrophobicContact CB-CD1 4.45Å; F276-I287 HydrophobicContact CB-CG1 4.42Å; F276-I287 HydrophobicContact CB-CG2 4.16Å; F276-I287 HydrophobicContact CD1-CD1 3.78Å; F276-I287 HydrophobicContact CE1-CD1 4.26Å; F276-I287 HydrophobicContact CG-CD1 4.15Å; F276-L291 HydrophobicContact CD2-CG 4.15Å; F276-L291 HydrophobicContact CE2-CD1 4.01Å; F276-L291 HydrophobicContact CE2-CD2 4.2Å; F276-L291 HydrophobicContact CE2-CG 3.93Å; F276-L291 HydrophobicContact CZ-CD2 4.4Å; F276-L292 HydrophobicContact CB-CD1 3.85Å; F276-A295 HydrophobicContact CD2-CB 3.71Å; F276-A295 HydrophobicContact CE2-CB 4.21Å
277R93Very high93.5Very high44 Ų4454.1 Ų54.117%0.16628%0.284CS..Hα-helixtrans-62.4-44.4173.7-178.9173.9171.4-173.2-0.3111.4F186 Y273 Y274 S275 Q281 L292F186-R277 HydrophobicContact CE1-CB 4.2Å; F186-R277 HydrophobicContact CE1-CG 3.83Å; F186-R277 HydrophobicContact CZ-CB 3.95Å; F186-R277 HydrophobicContact CZ-CG 3.84Å; Y273-R277 VanDerWaalsContact O-CB 3.28Å; Y273-R277 WeakPolarHBondContact O-CB 3.39Å; Y273-R277 PolarHBondContact O-N 3.49Å; Y274-R277 PolarHBondContact O-N 2.8Å; S275-R277 VanDerWaalsContact C-N 3.34Å; S275-R277 PolarHBondContact O-N 3.36Å; R277-Q281 WeakPolarHBondContact O-CB 3.14Å; R277-Q281 PolarHBondContact O-N 2.9Å; R277-L292 HydrophobicContact CB-CD1 4.17Å
278Y93.3Very high93.3Very high82 Ų8256.7 Ų56.732%0.32230%0.303SS..Hα-helixtrans-65.1-48177.7176.9-99.4000112.6L190 Y274 S275 R280 Q281 M282L190-Y278 HydrophobicContact CD2-CD1 4.46Å; L190-Y278 HydrophobicContact CD2-CD2 3.72Å; L190-Y278 HydrophobicContact CD2-CE2 4.43Å; L190-Y278 HydrophobicContact CD2-CG 3.72Å; Y274-Y278 WeakPolarHBondContact O-CB 3.21Å; Y274-Y278 PolarHBondContact O-N 3.13Å; S275-Y278 PolarHBondContact O-N 3.32Å; Y278-R280 VanDerWaalsContact C-N 3.31Å; Y278-R280 PolarHBondContact O-N 2.68Å; Y278-Q281 WeakPolarHBondContact O-CB 3.35Å; Y278-Q281 PolarHBondContact O-N 3.25Å; Y278-Q281 VanDerWaalsContact O-N 3.13Å; Y278-M282 HydrophobicContact CE1-CE 4.5Å; Y278-M282 HydrophobicContact CE1-CG 4.23Å; Y278-M282 HydrophobicContact CE2-CE 3.73Å; Y278-M282 HydrophobicContact CE2-CG 4.44Å; Y278-M282 PolarHBondContact O-N 3.33Å; Y278-M282 WeakPolarHBondContact OH-CE 3.35Å
279L93.4Very high93.1Very high63 Ų6354 Ų5433%0.3329%0.292SS..Hα-helixtrans-59.8-41.9178-68.5175.7000111.5S275 M282 D283 I287S275-L279 VanDerWaalsContact O-CG 3.3Å; S275-L279 WeakPolarHBondContact O-CG 3.18Å; S275-L279 PolarHBondContact O-N 3.34Å; L279-M282 PolarHBondContact O-N 3.05Å; L279-D283 PolarHBondContact O-N 2.94Å; L279-I287 HydrophobicContact CB-CG1 3.95Å; L279-I287 HydrophobicContact CD1-CD1 4.38Å
280R91Very high92.8Very high22 Ų2257.1 Ų57.18%0.08331%0.314CS..Hα-helixtrans-66.2-36.6175.9-168.2176.3169.770.36.6112.9S16 C19 F276 Y278 M282 D283 P284 I287 C289S16-R280 PolarHBondContact O-NH2 3.24Å; S16-R280 VanDerWaalsContact O-NH2 3.15Å; C19-R280 VanDerWaalsContact SG-CZ 3.54Å; C19-R280 PolarHBondContact SG-NE 2.71Å; F276-R280 WeakPolarHBondContact O-CB 3.41Å; F276-R280 PolarHBondContact O-N 3.06Å; Y278-R280 VanDerWaalsContact C-N 3.31Å; Y278-R280 PolarHBondContact O-N 2.68Å; R280-M282 VanDerWaalsContact C-N 3.32Å; R280-D283 CarbonylContact O-C 3.08Å; R280-D283 VanDerWaalsContact O-C 3.27Å; R280-P284 PolarHBondContact NH1-O 2.99Å; R280-I287 HydrophobicContact CB-CB 4.12Å; R280-I287 PolarHBondContact NH1-O 3.03Å; R280-C289 PolarHBondContact NH2-SG 3.04Å
281Q89.8Confident92.7Very high100 Ų10060.4 Ų60.447%0.46733%0.331SS..Hα-helixtrans-65.1-37.6177.3178.4178.7-30.900111.4D187 R277 Y278D187-Q281 PolarHBondContact OD1-NE2 3.24Å; R277-Q281 WeakPolarHBondContact O-CB 3.14Å; R277-Q281 PolarHBondContact O-N 2.9Å; Y278-Q281 WeakPolarHBondContact O-CB 3.35Å; Y278-Q281 PolarHBondContact O-N 3.25Å; Y278-Q281 VanDerWaalsContact O-N 3.13Å
282M89.9Confident92.6Very high118 Ų11858.6 Ų58.658%0.58132%0.318SS*.Hα-helixtrans-72-43.8174.9-73.5-64.6-174.700112.5Y278 L279 R280Y278-M282 HydrophobicContact CE1-CE 4.5Å; Y278-M282 HydrophobicContact CE1-CG 4.23Å; Y278-M282 HydrophobicContact CE2-CE 3.73Å; Y278-M282 HydrophobicContact CE2-CG 4.44Å; Y278-M282 PolarHBondContact O-N 3.33Å; Y278-M282 WeakPolarHBondContact OH-CE 3.35Å; L279-M282 PolarHBondContact O-N 3.05Å; R280-M282 VanDerWaalsContact C-N 3.32Å
283D90.3Very high92.5Very high59 Ų5957.9 Ų57.932%0.31631%0.312SS..  trans-148.4109.5178.9179.9-3.4000110.5L279 R280 S285 Q286L279-D283 PolarHBondContact O-N 2.94Å; R280-D283 CarbonylContact O-C 3.08Å; R280-D283 VanDerWaalsContact O-C 3.27Å; D283-S285 PolarHBondContact O-N 3.4Å; D283-S285 VanDerWaalsContact OD1-CB 3.32Å; D283-S285 WeakPolarHBondContact OD1-CB 3.31Å; D283-S285 PolarHBondContact OD1-N 3.1Å; D283-S285 PolarHBondContact OD1-OG 3.31Å; D283-S285 PolarHBondContact OD2-OG 2.87Å; D283-Q286 HydrophobicContact CB-CG 3.95Å; D283-Q286 PolarHBondContact O-N 2.88Å; D283-Q286 VanDerWaalsContact O-N 3.13Å
284P88.3Confident92.4Very high59 Ų5959.3 Ų59.338%0.38333%0.329SS..THydrogen-bonded Turntrans-59.5-15-179.9-26.535.3000115.2R280R280-P284 PolarHBondContact NH1-O 2.99Å
285S88.3Confident92.4Very high97 Ų9759.6 Ų59.668%0.67833%0.333SS*.THydrogen-bonded Turntrans-81-21.717975.20000113.7D283D283-S285 PolarHBondContact O-N 3.4Å; D283-S285 VanDerWaalsContact OD1-CB 3.32Å; D283-S285 WeakPolarHBondContact OD1-CB 3.31Å; D283-S285 PolarHBondContact OD1-N 3.1Å; D283-S285 PolarHBondContact OD1-OG 3.31Å; D283-S285 PolarHBondContact OD2-OG 2.87Å
286Q90.4Very high92.4Very high102 Ų10257.1 Ų57.148%0.47732%0.315SS..THydrogen-bonded Turntrans-72.4-34.8-174.5-69.7-171.926.700113.7D283D283-Q286 HydrophobicContact CB-CG 3.95Å; D283-Q286 PolarHBondContact O-N 2.88Å; D283-Q286 VanDerWaalsContact O-N 3.13Å
287I94Very high92.3Very high13 Ų1357.2 Ų57.27%0.06732%0.32CS..SBendtrans-130.7121.6-174-59.7-65.1000109.1F276 L279 R280 L291 L292F276-I287 HydrophobicContact CB-CD1 4.45Å; F276-I287 HydrophobicContact CB-CG1 4.42Å; F276-I287 HydrophobicContact CB-CG2 4.16Å; F276-I287 HydrophobicContact CD1-CD1 3.78Å; F276-I287 HydrophobicContact CE1-CD1 4.26Å; F276-I287 HydrophobicContact CG-CD1 4.15Å; L279-I287 HydrophobicContact CB-CG1 3.95Å; L279-I287 HydrophobicContact CD1-CD1 4.38Å; R280-I287 HydrophobicContact CB-CB 4.12Å; R280-I287 PolarHBondContact NH1-O 3.03Å; I287-L291 HydrophobicContact CD1-CD2 4.17Å; I287-L291 HydrophobicContact CG2-CB 4.4Å; I287-L291 HydrophobicContact CG2-CD2 4.4Å; I287-L291 HydrophobicContact CG2-CG 4.49Å; I287-L292 HydrophobicContact CG2-CB 4.06Å
288S92.7Very high92.5Very high58 Ų5856.9 Ų56.941%0.40633%0.326SS..  trans-68.5154174.870.60000112S290 L291 L292S288-S290 PolarHBondContact O-N 3.03Å; S288-S290 PolarHBondContact OG-OG 2.99Å; S288-L291 PolarHBondContact O-N 3.46Å; S288-L291 WeakPolarHBondContact OG-CB 3.22Å; S288-L291 PolarHBondContact OG-N 3.17Å; S288-L291 VanDerWaalsContact OG-N 3.17Å; S288-L292 PolarHBondContact O-N 3.48Å; S288-L292 VanDerWaalsContact O-N 3.08Å
289C92.3Very high92.6Very high44 Ų4453.2 Ų53.230%0.29731%0.312SS..Hα-helixtrans-60.7-34.9174.4-75.50000112.6C19 R280 L292 E293C19-C289 VanDerWaalsContact CA-SG 3.55Å; C19-C289 HydrophobicContact CB-CB 3.78Å; C19-C289 WeakPolarHBondContact CB-SG 3.42Å; C19-C289 WeakPolarHBondContact SG-CA 3.36Å; C19-C289 WeakPolarHBondContact SG-CB 3.26Å; C19-C289 CovalentContact SG-SG 2.05Å; C19-C289 PolarHBondContact SG-SG 2.88Å; R280-C289 PolarHBondContact NH2-SG 3.04Å; C289-L292 PolarHBondContact O-N 3.41Å; C289-E293 VanDerWaalsContact O-CB 3.27Å; C289-E293 WeakPolarHBondContact O-CB 3.32Å; C289-E293 PolarHBondContact O-N 3.03Å
290S92.4Very high92.7Very high83 Ų8350.6 Ų50.658%0.5830%0.298SS*.Hα-helixtrans-64.1-40.2177.153.90000112.7S288 A294S288-S290 PolarHBondContact O-N 3.03Å; S288-S290 PolarHBondContact OG-OG 2.99Å; S290-A294 WeakPolarHBondContact O-CB 3.35Å; S290-A294 PolarHBondContact O-N 3.04Å
291L93.9Very high92.8Very high73 Ų7352.6 Ų52.638%0.38231%0.312SS..Hα-helixtrans-69.9-41.1177.3-178.759.7000111.4F276 I287 S288 A294 A295F276-L291 HydrophobicContact CD2-CG 4.15Å; F276-L291 HydrophobicContact CE2-CD1 4.01Å; F276-L291 HydrophobicContact CE2-CD2 4.2Å; F276-L291 HydrophobicContact CE2-CG 3.93Å; F276-L291 HydrophobicContact CZ-CD2 4.4Å; I287-L291 HydrophobicContact CD1-CD2 4.17Å; I287-L291 HydrophobicContact CG2-CB 4.4Å; I287-L291 HydrophobicContact CG2-CD2 4.4Å; I287-L291 HydrophobicContact CG2-CG 4.49Å; S288-L291 PolarHBondContact O-N 3.46Å; S288-L291 WeakPolarHBondContact OG-CB 3.22Å; S288-L291 PolarHBondContact OG-N 3.17Å; S288-L291 VanDerWaalsContact OG-N 3.17Å; L291-A294 PolarHBondContact O-N 2.8Å; L291-A295 WeakPolarHBondContact O-CB 3.32Å; L291-A295 PolarHBondContact O-N 3.23Å
292L94.1Very high93.1Very high12 Ų1248.5 Ų48.56%0.06329%0.294CS..Hα-helixtrans-66.3-38.2176.5-173.560.8000112F21 Y273 F276 R277 I287 S288 C289 A295 S296F21-L292 HydrophobicContact CE1-CB 4.49Å; F21-L292 HydrophobicContact CE1-CG 4.44Å; F21-L292 HydrophobicContact CE2-CG 4.5Å; F21-L292 HydrophobicContact CZ-CB 4.2Å; F21-L292 HydrophobicContact CZ-CD2 3.8Å; F21-L292 HydrophobicContact CZ-CG 3.68Å; Y273-L292 HydrophobicContact CD2-CD1 4Å; Y273-L292 HydrophobicContact CE2-CD1 3.99Å; F276-L292 HydrophobicContact CB-CD1 3.85Å; R277-L292 HydrophobicContact CB-CD1 4.17Å; I287-L292 HydrophobicContact CG2-CB 4.06Å; S288-L292 PolarHBondContact O-N 3.48Å; S288-L292 VanDerWaalsContact O-N 3.08Å; C289-L292 PolarHBondContact O-N 3.41Å; L292-A295 PolarHBondContact O-N 3.43Å; L292-S296 WeakPolarHBondContact O-CB 3.48Å; L292-S296 PolarHBondContact O-N 2.85Å
293E93.8Very high93.4Very high59 Ų5943.1 Ų43.128%0.27627%0.267SS..Hα-helixtrans-62.7-49.1173.3-173.7167.7-153.100111F21 N22 C289 A295 S296 V297F21-E293 WeakPolarHBondContact CA-OE1 3.44Å; F21-E293 HydrophobicContact CB-CG 4.23Å; F21-E293 HydrophobicContact CD1-CB 3.49Å; F21-E293 VanDerWaalsContact CD1-CB 3.49Å; F21-E293 HydrophobicContact CD1-CG 3.67Å; F21-E293 HydrophobicContact CE1-CB 3.69Å; F21-E293 HydrophobicContact CE1-CG 4.38Å; F21-E293 HydrophobicContact CG-CB 4.34Å; F21-E293 HydrophobicContact CG-CG 4.16Å; N22-E293 PolarHBondContact N-OE1 3.4Å; C289-E293 VanDerWaalsContact O-CB 3.27Å; C289-E293 WeakPolarHBondContact O-CB 3.32Å; C289-E293 PolarHBondContact O-N 3.03Å; E293-A295 VanDerWaalsContact C-N 3.29Å; E293-A295 PolarHBondContact O-N 2.68Å; E293-S296 WeakPolarHBondContact O-CA 3.25Å; E293-S296 WeakPolarHBondContact O-CB 3.3Å; E293-S296 PolarHBondContact O-N 3.43Å; E293-V297 HydrophobicContact CG-CG2 4.44Å; E293-V297 WeakPolarHBondContact O-CG2 3.07Å; E293-V297 PolarHBondContact O-N 3.1Å
294A94.5Very high93.6Very high56 Ų5640.7 Ų40.746%0.46326%0.255SS..Hα-helixtrans-57.6-41.7176.700000112.2S290 L291 V297 A298S290-A294 WeakPolarHBondContact O-CB 3.35Å; S290-A294 PolarHBondContact O-N 3.04Å; L291-A294 PolarHBondContact O-N 2.8Å; A294-V297 PolarHBondContact O-N 2.98Å; A294-A298 WeakPolarHBondContact O-CB 3.49Å; A294-A298 PolarHBondContact O-N 3.3Å
295A95.5Very high94Very high10 Ų1041.4 Ų41.48%0.08326%0.255CS..Hα-helixtrans-66.3-40174.900000112.5Y273 F276 L291 L292 E293 A298 Y299Y273-A295 HydrophobicContact CD2-CB 4.34Å; F276-A295 HydrophobicContact CD2-CB 3.71Å; F276-A295 HydrophobicContact CE2-CB 4.21Å; L291-A295 WeakPolarHBondContact O-CB 3.32Å; L291-A295 PolarHBondContact O-N 3.23Å; L292-A295 PolarHBondContact O-N 3.43Å; E293-A295 VanDerWaalsContact C-N 3.29Å; E293-A295 PolarHBondContact O-N 2.68Å; A295-A298 PolarHBondContact O-N 3.04Å; A295-Y299 WeakPolarHBondContact O-CB 3.42Å; A295-Y299 PolarHBondContact O-N 3.41Å
296S93.9Very high94.4Very high1 Ų136.8 Ų36.81%0.00722%0.223CC..Hα-helixtrans-60.7-46.4174-176.60000111.4E23 L292 E293 Y299 K300E23-S296 PolarHBondContact OE1-OG 2.93Å; L292-S296 WeakPolarHBondContact O-CB 3.48Å; L292-S296 PolarHBondContact O-N 2.85Å; E293-S296 WeakPolarHBondContact O-CA 3.25Å; E293-S296 WeakPolarHBondContact O-CB 3.3Å; E293-S296 PolarHBondContact O-N 3.43Å; S296-Y299 PolarHBondContact O-N 2.93Å; S296-K300 WeakPolarHBondContact O-CG 3.33Å; S296-K300 PolarHBondContact O-N 2.77Å; S296-K300 PolarHBondContact OG-NZ 3.47Å
297V94.6Very high94.6Very high47 Ų4732 Ų3229%0.28520%0.2SC..Hα-helixtrans-61.5-50.6177.2172.30000110.3F25 E293 A294 Y299 K300 V301F25-V297 HydrophobicContact CE1-CB 4.49Å; F25-V297 HydrophobicContact CE1-CG1 4.29Å; F25-V297 HydrophobicContact CE1-CG2 3.87Å; F25-V297 HydrophobicContact CZ-CB 4.28Å; F25-V297 HydrophobicContact CZ-CG1 3.96Å; F25-V297 HydrophobicContact CZ-CG2 4.14Å; E293-V297 HydrophobicContact CG-CG2 4.44Å; E293-V297 WeakPolarHBondContact O-CG2 3.07Å; E293-V297 PolarHBondContact O-N 3.1Å; A294-V297 PolarHBondContact O-N 2.98Å; V297-Y299 VanDerWaalsContact C-N 3.31Å; V297-Y299 PolarHBondContact O-N 3.15Å; V297-K300 PolarHBondContact O-N 3.05Å; V297-K300 VanDerWaalsContact O-N 3.1Å; V297-V301 HydrophobicContact CG1-CG2 4.14Å; V297-V301 WeakPolarHBondContact O-CB 3.4Å; V297-V301 VanDerWaalsContact O-CG2 3.3Å; V297-V301 WeakPolarHBondContact O-CG2 3.18Å; V297-V301 PolarHBondContact O-N 2.94Å
298A96.2Very high94.7Very high37 Ų3732.6 Ų32.631%0.30621%0.207SC..Hα-helixtrans-59.6-4117900000112.3T269 A294 A295 V301 T302T269-A298 HydrophobicContact CG2-CB 3.79Å; A294-A298 WeakPolarHBondContact O-CB 3.49Å; A294-A298 PolarHBondContact O-N 3.3Å; A295-A298 PolarHBondContact O-N 3.04Å; A298-V301 PolarHBondContact O-N 2.94Å; A298-T302 VanDerWaalsContact O-CG2 3.3Å; A298-T302 WeakPolarHBondContact O-CG2 3.43Å; A298-T302 PolarHBondContact O-N 3.36Å; A298-T302 PolarHBondContact O-OG1 3.46Å
299Y95.4Very high94.8Very high4 Ų429.8 Ų29.82%0.01619%0.188CC..Hα-helixtrans-61.1-45.1173.8169.5-124.4000111.8T180 F266 R270 Y273 A295 S296 V297 T302 R303T180-Y299 HydrophobicContact CG2-CE1 4.37Å; F266-Y299 HydrophobicContact CD2-CE2 4.25Å; F266-Y299 HydrophobicContact CE2-CD2 4.31Å; F266-Y299 AromaticContact CE2-CE2 3.58Å; F266-Y299 HydrophobicContact CE2-CE2 3.58Å; F266-Y299 HydrophobicContact CZ-CE2 4.24Å; R270-Y299 HydrophobicContact CB-CD2 3.71Å; R270-Y299 HydrophobicContact CB-CE2 3.7Å; R270-Y299 HydrophobicContact CG-CD2 4.17Å; R270-Y299 HydrophobicContact CG-CE2 3.73Å; Y273-Y299 AromaticContact CD1-CD1 3.75Å; Y273-Y299 HydrophobicContact CD1-CD1 3.75Å; Y273-Y299 HydrophobicContact CD1-CE1 4.26Å; Y273-Y299 HydrophobicContact CD1-CG 4.28Å; Y273-Y299 HydrophobicContact CE1-CD1 4.19Å; Y273-Y299 HydrophobicContact CE1-CE1 4.49Å; Y273-Y299 HydrophobicContact CG-CD1 4.42Å; A295-Y299 WeakPolarHBondContact O-CB 3.42Å; A295-Y299 PolarHBondContact O-N 3.41Å; S296-Y299 PolarHBondContact O-N 2.93Å; V297-Y299 VanDerWaalsContact C-N 3.31Å; V297-Y299 PolarHBondContact O-N 3.15Å; Y299-T302 PolarHBondContact O-OG1 2.92Å; Y299-R303 HydrophobicContact CD2-CG 4.45Å; Y299-R303 HydrophobicContact CE2-CG 4.09Å; Y299-R303 WeakPolarHBondContact O-CG 3.28Å; Y299-R303 PolarHBondContact O-N 2.77Å
300K94.4Very high94.9Very high9 Ų927.7 Ų27.74%0.03917%0.174CC..Hα-helixtrans-66.8-38.7177.6-72.3-175.7177.281.60113E23 F25 K26 S296 V297 P304E23-K300 IonicContact OE1-NZ 3.23Å; E23-K300 PolarHBondContact OE1-NZ 3.44Å; E23-K300 WeakPolarHBondContact OE2-CE 3.3Å; E23-K300 IonicContact OE2-NZ 2.64Å; E23-K300 PolarHBondContact OE2-NZ 3.16Å; F25-K300 HydrophobicContact CE2-CB 4.29Å; F25-K300 HydrophobicContact CZ-CB 4.03Å; F25-K300 HydrophobicContact CZ-CD 4.2Å; K26-K300 HydrophobicContact CB-CD 4.49Å; K26-K300 HydrophobicContact CD-CD 4.2Å; S296-K300 WeakPolarHBondContact O-CG 3.33Å; S296-K300 PolarHBondContact O-N 2.77Å; S296-K300 PolarHBondContact OG-NZ 3.47Å; V297-K300 PolarHBondContact O-N 3.05Å; V297-K300 VanDerWaalsContact O-N 3.1Å; K300-P304 WeakPolarHBondContact O-CD 3.34Å
301V94.6Very high95Very high63 Ų6324.3 Ų24.338%0.38215%0.15SC..Hα-helixtrans-68-35.3179.1169.50000112.3F25 L29 V297 A298 P304F25-V301 HydrophobicContact CE2-CG2 4.04Å; L29-V301 HydrophobicContact CD2-CB 4.38Å; L29-V301 HydrophobicContact CD2-CG2 3.8Å; V297-V301 HydrophobicContact CG1-CG2 4.14Å; V297-V301 WeakPolarHBondContact O-CB 3.4Å; V297-V301 VanDerWaalsContact O-CG2 3.3Å; V297-V301 WeakPolarHBondContact O-CG2 3.18Å; V297-V301 PolarHBondContact O-N 2.94Å; A298-V301 PolarHBondContact O-N 2.94Å; V301-P304 WeakPolarHBondContact O-CD 3.45Å
302T96.3Very high94.8Very high14 Ų1422.3 Ų22.39%0.08614%0.141CC..Hα-helixtrans-83.6-14.9-178.9560000113.9P265 T269 A298 Y299 L305 A306P265-T302 HydrophobicContact CB-CG2 3.72Å; T269-T302 HydrophobicContact CG2-CG2 3.88Å; T269-T302 PolarHBondContact OG1-OG1 2.89Å; A298-T302 VanDerWaalsContact O-CG2 3.3Å; A298-T302 WeakPolarHBondContact O-CG2 3.43Å; A298-T302 PolarHBondContact O-N 3.36Å; A298-T302 PolarHBondContact O-OG1 3.46Å; Y299-T302 PolarHBondContact O-OG1 2.92Å; T302-L305 HydrophobicContact CG2-CD1 4.21Å; T302-L305 VanDerWaalsContact O-CB 3.29Å; T302-L305 WeakPolarHBondContact O-CB 3.3Å; T302-L305 PolarHBondContact O-N 2.94Å; T302-A306 PolarHBondContact O-N 2.87Å
303R94.9Very high94.4Very high5 Ų521.8 Ų21.82%0.01914%0.138CC..Hα-helixtrans-57.8-47.6175-83.6173.669.2-158.7-1.8113.5Y87 R104 D179 F266 Y299 L305 A306 S307Y87-R303 PolarHBondContact OH-NH1 3.5Å; Y87-R303 PolarHBondContact OH-NH2 3.47Å; R104-R303 VanDerWaalsContact NH1-NH2 3.12Å; D179-R303 IonicContact OD1-CZ 2.77Å; D179-R303 IonicContact OD1-NH1 3.2Å; D179-R303 PolarHBondContact OD1-NH1 2.94Å; D179-R303 IonicContact OD1-NH2 3.33Å; D179-R303 PolarHBondContact OD1-NH2 2.88Å; D179-R303 IonicContact OD2-NH1 2.84Å; D179-R303 PolarHBondContact OD2-NH1 3.45Å; F266-R303 HydrophobicContact CD2-CG 3.89Å; F266-R303 HydrophobicContact CE2-CG 3.64Å; Y299-R303 HydrophobicContact CD2-CG 4.45Å; Y299-R303 HydrophobicContact CE2-CG 4.09Å; Y299-R303 WeakPolarHBondContact O-CG 3.28Å; Y299-R303 PolarHBondContact O-N 2.77Å; R303-L305 PolarHBondContact O-N 3.02Å; R303-A306 PolarHBondContact O-N 3Å; R303-S307 PolarHBondContact O-N 3.41Å; R303-S307 PolarHBondContact O-OG 3.35Å
304P96Very high93.9Very high9 Ų919.4 Ų19.46%0.05813%0.128CC..Hα-helixtrans-56-32.9170.8-30.735.9000114.5L30 Y34 K300 V301 S307 A308L30-P304 HydrophobicContact CD2-CG 3.57Å; Y34-P304 HydrophobicContact CE1-CG 4.4Å; K300-P304 WeakPolarHBondContact O-CD 3.34Å; V301-P304 WeakPolarHBondContact O-CD 3.45Å; P304-S307 CarbonylContact O-C 3.45Å; P304-S307 WeakPolarHBondContact O-CA 3.31Å; P304-S307 VanDerWaalsContact O-CB 3.32Å; P304-S307 WeakPolarHBondContact O-CB 3.21Å; P304-S307 PolarHBondContact O-N 2.96Å; P304-S307 VanDerWaalsContact O-N 3.14Å; P304-A308 WeakPolarHBondContact O-CB 3.33Å; P304-A308 PolarHBondContact O-N 3.25Å
305L96Very high93.3Very high73 Ų7320 Ų2038%0.38212%0.122SC..Hα-helixtrans-65.8-42.1178.2-54.7179.6000111.5L261 C262 P265 T302 R303 S307 A308 N309L261-L305 WeakPolarHBondContact O-CB 3.4Å; C262-L305 WeakPolarHBondContact CA-O 3.45Å; C262-L305 VanDerWaalsContact CB-O 3.22Å; C262-L305 WeakPolarHBondContact CB-O 3.3Å; C262-L305 PolarHBondContact SG-O 3.46Å; P265-L305 HydrophobicContact CB-CD1 4.24Å; T302-L305 HydrophobicContact CG2-CD1 4.21Å; T302-L305 VanDerWaalsContact O-CB 3.29Å; T302-L305 WeakPolarHBondContact O-CB 3.3Å; T302-L305 PolarHBondContact O-N 2.94Å; R303-L305 PolarHBondContact O-N 3.02Å; L305-S307 PolarHBondContact O-N 3.03Å; L305-A308 WeakPolarHBondContact O-CB 3.42Å; L305-A308 PolarHBondContact O-N 2.92Å; L305-N309 PolarHBondContact O-N 3.35Å
306A95.9Very high92.3Very high1 Ų121.5 Ų21.51%0.00813%0.129CC..Hα-helixtrans-59.3-36.8172.400000111.8F107 L111 C262 F266 T302 R303 N309F107-A306 HydrophobicContact CE2-CB 4.48Å; F107-A306 HydrophobicContact CZ-CB 4.43Å; L111-A306 HydrophobicContact CD1-CB 4.27Å; C262-A306 VanDerWaalsContact O-CA 3.28Å; C262-A306 WeakPolarHBondContact O-CA 3.31Å; C262-A306 PolarHBondContact O-N 3.35Å; F266-A306 HydrophobicContact CB-CB 3.95Å; F266-A306 HydrophobicContact CD1-CB 4.35Å; F266-A306 HydrophobicContact CD2-CB 4.28Å; F266-A306 HydrophobicContact CG-CB 3.92Å; T302-A306 PolarHBondContact O-N 2.87Å; R303-A306 PolarHBondContact O-N 3Å; A306-N309 VanDerWaalsContact O-CB 3.26Å; A306-N309 WeakPolarHBondContact O-CB 3.18Å; A306-N309 PolarHBondContact O-N 2.94Å
307S95.9Very high91.2Very high0 Ų023.8 Ų23.80%014%0.138CC..Hα-helixtrans-70.8-35.4178.1-45.90000111.8Y34 V37 Y76 R303 P304 L305 N309 S310Y34-S307 WeakPolarHBondContact CE1-OG 3.34Å; V37-S307 WeakPolarHBondContact CG1-O 3.19Å; Y76-S307 WeakPolarHBondContact OH-CB 3.19Å; Y76-S307 PolarHBondContact OH-OG 3.46Å; R303-S307 PolarHBondContact O-N 3.41Å; R303-S307 PolarHBondContact O-OG 3.35Å; P304-S307 CarbonylContact O-C 3.45Å; P304-S307 WeakPolarHBondContact O-CA 3.31Å; P304-S307 VanDerWaalsContact O-CB 3.32Å; P304-S307 WeakPolarHBondContact O-CB 3.21Å; P304-S307 PolarHBondContact O-N 2.96Å; P304-S307 VanDerWaalsContact O-N 3.14Å; L305-S307 PolarHBondContact O-N 3.03Å; S307-N309 PolarHBondContact O-N 3.39Å; S307-N309 VanDerWaalsContact O-N 3.17Å; S307-S310 PolarHBondContact O-N 3.04Å
308A95.5Very high90.3Very high26 Ų2625.1 Ų25.122%0.21514%0.14CC..Hα-helixtrans-65-15177.800000113.3V37 P304 L305 S310 C311 V312V37-A308 HydrophobicContact CG2-CB 4.28Å; P304-A308 WeakPolarHBondContact O-CB 3.33Å; P304-A308 PolarHBondContact O-N 3.25Å; L305-A308 WeakPolarHBondContact O-CB 3.42Å; L305-A308 PolarHBondContact O-N 2.92Å; A308-S310 PolarHBondContact O-N 3.1Å; A308-C311 WeakPolarHBondContact O-CB 3.38Å; A308-C311 PolarHBondContact O-N 3.02Å; A308-V312 WeakPolarHBondContact O-CG2 3.42Å; A308-V312 PolarHBondContact O-N 3.27Å
309N94.4Very high89.1Confident0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-49.4-42.1171-176.774000111.7C262 F263 L305 A306 S307 C311 V312 D313C262-N309 HydrophobicContact CB-CB 3.86Å; F263-N309 HydrophobicContact CE1-CB 3.84Å; F263-N309 HydrophobicContact CZ-CB 4.05Å; F263-N309 WeakPolarHBondContact CZ-OD1 3.11Å; L305-N309 PolarHBondContact O-N 3.35Å; A306-N309 VanDerWaalsContact O-CB 3.26Å; A306-N309 WeakPolarHBondContact O-CB 3.18Å; A306-N309 PolarHBondContact O-N 2.94Å; S307-N309 PolarHBondContact O-N 3.39Å; S307-N309 VanDerWaalsContact O-N 3.17Å; N309-C311 PolarHBondContact O-N 2.64Å; N309-C311 VanDerWaalsContact O-N 3.09Å; N309-V312 PolarHBondContact O-N 2.97Å; N309-V312 VanDerWaalsContact O-N 3.12Å; N309-D313 PolarHBondContact ND2-OD2 3.47Å; N309-D313 PolarHBondContact O-N 3.04Å; N309-D313 PolarHBondContact OD1-OD2 2.91Å
310S95.3Very high87.5Confident0 Ų028.8 Ų28.80%016%0.157CC..Hα-helixtrans-63.1-16.8179.7-58.50000114.3N45 D73 S307 A308 P314N45-S310 PolarHBondContact ND2-O 3.39Å; D73-S310 WeakPolarHBondContact OD1-CA 3.35Å; D73-S310 WeakPolarHBondContact OD1-CB 3.34Å; D73-S310 PolarHBondContact OD1-OG 3.14Å; S307-S310 PolarHBondContact O-N 3.04Å; A308-S310 PolarHBondContact O-N 3.1Å; S310-P314 WeakPolarHBondContact O-CD 3.36Å
311C94.2Very high85.8Confident12 Ų1230.4 Ų30.48%0.08118%0.176CC..Hα-helixtrans-95.3-43.1171.1-59.30000111.7I40 G41 L44 A308 N309 D313 P314 I315I40-C311 HydrophobicContact CG2-CB 4.11Å; G41-C311 VanDerWaalsContact CA-SG 3.59Å; G41-C311 PolarHBondContact N-SG 3Å; G41-C311 VanDerWaalsContact N-SG 3.42Å; L44-C311 HydrophobicContact CD1-CB 4.33Å; A308-C311 WeakPolarHBondContact O-CB 3.38Å; A308-C311 PolarHBondContact O-N 3.02Å; N309-C311 PolarHBondContact O-N 2.64Å; N309-C311 VanDerWaalsContact O-N 3.09Å; C311-D313 PolarHBondContact O-N 2.88Å; C311-P314 WeakPolarHBondContact O-CD 3.43Å; C311-I315 WeakPolarHBondContact O-CD1 3.42Å; C311-I315 VanDerWaalsContact O-CG1 3.3Å; C311-I315 WeakPolarHBondContact O-CG1 3.34Å; C311-I315 PolarHBondContact O-N 3.44Å
312V88.9Confident84Confident31 Ų3136.2 Ų36.219%0.18819%0.191CC..Hα-helixtrans-61.1-44.4-174.8170.60000110.9A308 N309 I315 L316A308-V312 WeakPolarHBondContact O-CG2 3.42Å; A308-V312 PolarHBondContact O-N 3.27Å; N309-V312 PolarHBondContact O-N 2.97Å; N309-V312 VanDerWaalsContact O-N 3.12Å; V312-I315 PolarHBondContact O-N 2.99Å; V312-L316 HydrophobicContact CG1-CD1 3.38Å; V312-L316 HydrophobicContact CG1-CG 4.06Å; V312-L316 VanDerWaalsContact O-CB 3.27Å; V312-L316 WeakPolarHBondContact O-CB 3.1Å; V312-L316 VanDerWaalsContact O-CG 3.26Å; V312-L316 WeakPolarHBondContact O-CG 3.37Å; V312-L316 PolarHBondContact O-N 3.35Å
313D85.6Confident81.8Confident1 Ų139.7 Ų39.71%0.00521%0.209CC..Hα-helixtrans-55.6-62-178.3-82.3-28.3000111.4L69 N309 C311 I315 L316 Y317L69-D313 HydrophobicContact CD2-CB 4.29Å; N309-D313 PolarHBondContact ND2-OD2 3.47Å; N309-D313 PolarHBondContact O-N 3.04Å; N309-D313 PolarHBondContact OD1-OD2 2.91Å; C311-D313 PolarHBondContact O-N 2.88Å; D313-I315 PolarHBondContact O-N 3.13Å; D313-L316 PolarHBondContact O-N 3.07Å; D313-Y317 HydrophobicContact CB-CE2 4.39Å; D313-Y317 WeakPolarHBondContact O-CD2 3.29Å; D313-Y317 PolarHBondContact O-N 2.9Å
314P84.4Confident79.3Confident9 Ų940.8 Ų40.86%0.05822%0.219CC..Hα-helixtrans-57.6-44177.3-2632.6000114.9L44 S310 C311 L316 Y317 F318L44-P314 HydrophobicContact CB-CB 3.77Å; L44-P314 HydrophobicContact CB-CG 4.07Å; L44-P314 HydrophobicContact CD1-CB 4.35Å; L44-P314 HydrophobicContact CD2-CB 4.41Å; L44-P314 HydrophobicContact CG-CB 4.42Å; S310-P314 WeakPolarHBondContact O-CD 3.36Å; C311-P314 WeakPolarHBondContact O-CD 3.43Å; P314-L316 VanDerWaalsContact C-N 3.32Å; P314-L316 PolarHBondContact O-N 3.45Å; P314-Y317 PolarHBondContact O-N 2.83Å; P314-F318 HydrophobicContact CB-CD2 4.19Å; P314-F318 HydrophobicContact CB-CE2 4.18Å; P314-F318 WeakPolarHBondContact O-CB 3.49Å; P314-F318 WeakPolarHBondContact O-CD2 3.36Å; P314-F318 PolarHBondContact O-N 2.94Å
315I81.4Confident77Confident67 Ų6749.9 Ų49.934%0.34425%0.253SS..Hα-helixtrans-56.6-51.4-178.3-73.5167.4000109.6L44 C311 V312 D313 Y317 F318 L319L44-I315 HydrophobicContact CD1-CD1 3.86Å; L44-I315 HydrophobicContact CD1-CG1 3.55Å; L44-I315 HydrophobicContact CD2-CG1 4.12Å; C311-I315 WeakPolarHBondContact O-CD1 3.42Å; C311-I315 VanDerWaalsContact O-CG1 3.3Å; C311-I315 WeakPolarHBondContact O-CG1 3.34Å; C311-I315 PolarHBondContact O-N 3.44Å; V312-I315 PolarHBondContact O-N 2.99Å; D313-I315 PolarHBondContact O-N 3.13Å; I315-Y317 VanDerWaalsContact C-N 3.33Å; I315-Y317 PolarHBondContact O-N 3.37Å; I315-F318 PolarHBondContact O-N 3.37Å; I315-L319 HydrophobicContact CG2-CD1 3.68Å; I315-L319 HydrophobicContact CG2-CG 4.29Å; I315-L319 WeakPolarHBondContact O-CB 3.3Å; I315-L319 VanDerWaalsContact O-CG 3.26Å; I315-L319 WeakPolarHBondContact O-CG 3.49Å; I315-L319 PolarHBondContact O-N 3Å
316L73.9Confident74.4Confident42 Ų4249.3 Ų49.322%0.2225%0.254CS..Hα-helixtrans-66-37.9-177-71.6-176.1000111.1I254 A257 V312 D313 P314 A320I254-L316 HydrophobicContact CB-CB 4.11Å; I254-L316 HydrophobicContact CB-CD1 4.3Å; I254-L316 HydrophobicContact CD1-CB 3.86Å; I254-L316 VanDerWaalsContact CD1-O 3.23Å; I254-L316 WeakPolarHBondContact CD1-O 3.49Å; I254-L316 HydrophobicContact CG1-CB 3.7Å; I254-L316 HydrophobicContact CG2-CB 3.64Å; I254-L316 HydrophobicContact CG2-CD1 3.96Å; I254-L316 HydrophobicContact CG2-CG 4.45Å; A257-L316 HydrophobicContact CB-CD1 4.07Å; V312-L316 HydrophobicContact CG1-CD1 3.38Å; V312-L316 HydrophobicContact CG1-CG 4.06Å; V312-L316 VanDerWaalsContact O-CB 3.27Å; V312-L316 WeakPolarHBondContact O-CB 3.1Å; V312-L316 VanDerWaalsContact O-CG 3.26Å; V312-L316 WeakPolarHBondContact O-CG 3.37Å; V312-L316 PolarHBondContact O-N 3.35Å; D313-L316 PolarHBondContact O-N 3.07Å; P314-L316 VanDerWaalsContact C-N 3.32Å; P314-L316 PolarHBondContact O-N 3.45Å; L316-A320 WeakPolarHBondContact O-CB 3.35Å; L316-A320 PolarHBondContact O-N 3.03Å
317Y71.8Confident71.9Confident50 Ų5052.6 Ų52.620%0.19627%0.274CS..Hα-helixtrans-66-42.4173.6-76.8-62.4000113.3M66 L69 I121 I254 D313 P314 I315 G321M66-Y317 HydrophobicContact SD-CD1 4.09Å; M66-Y317 HydrophobicContact SD-CE1 4.07Å; L69-Y317 HydrophobicContact CD2-CE2 4.08Å; I121-Y317 WeakPolarHBondContact CD1-OH 3.44Å; I254-Y317 HydrophobicContact CD1-CD1 3.96Å; I254-Y317 HydrophobicContact CD1-CE1 4.26Å; I254-Y317 HydrophobicContact CD1-CG 4.37Å; D313-Y317 HydrophobicContact CB-CE2 4.39Å; D313-Y317 WeakPolarHBondContact O-CD2 3.29Å; D313-Y317 PolarHBondContact O-N 2.9Å; P314-Y317 PolarHBondContact O-N 2.83Å; I315-Y317 VanDerWaalsContact C-N 3.33Å; I315-Y317 PolarHBondContact O-N 3.37Å; Y317-G321 PolarHBondContact O-N 3.32Å
318F75Confident69.6Low75 Ų7556.9 Ų56.933%0.32930%0.297SS..Hα-helixtrans-67.4-44178.8-80.5-61.2000112L44 T47 A48 P314 I315 G321 R322L44-F318 HydrophobicContact CD2-CD2 4.48Å; T47-F318 HydrophobicContact CG2-CZ 4.21Å; A48-F318 HydrophobicContact CB-CE2 4.38Å; A48-F318 HydrophobicContact CB-CZ 4.27Å; P314-F318 HydrophobicContact CB-CD2 4.19Å; P314-F318 HydrophobicContact CB-CE2 4.18Å; P314-F318 WeakPolarHBondContact O-CB 3.49Å; P314-F318 WeakPolarHBondContact O-CD2 3.36Å; P314-F318 PolarHBondContact O-N 2.94Å; I315-F318 PolarHBondContact O-N 3.37Å; F318-G321 PolarHBondContact O-N 3.13Å; F318-R322 PolarHBondContact O-N 3.42Å
319L70.4Confident67.2Low96 Ų9659.6 Ų59.650%0.50331%0.311SS..Hα-helixtrans-61.6-45.8175.2-70.1175.9000110.9I315 G321 R322 D323I315-L319 HydrophobicContact CG2-CD1 3.68Å; I315-L319 HydrophobicContact CG2-CG 4.29Å; I315-L319 WeakPolarHBondContact O-CB 3.3Å; I315-L319 VanDerWaalsContact O-CG 3.26Å; I315-L319 WeakPolarHBondContact O-CG 3.49Å; I315-L319 PolarHBondContact O-N 3Å; L319-G321 PolarHBondContact O-N 3.42Å; L319-R322 PolarHBondContact O-N 2.95Å; L319-D323 PolarHBondContact O-N 3.26Å
320A61.6Low64.8Low21 Ų2167.2 Ų67.217%0.17434%0.344CS..Hα-helixtrans-57.9-34.2175.700000113K250 I254 L316K250-A320 HydrophobicContact CB-CB 4.02Å; K250-A320 HydrophobicContact CD-CB 3.85Å; K250-A320 HydrophobicContact CG-CB 4.26Å; K250-A320 PolarHBondContact NZ-O 3.02Å; I254-A320 HydrophobicContact CD1-CB 3.92Å; L316-A320 WeakPolarHBondContact O-CB 3.35Å; L316-A320 PolarHBondContact O-N 3.03Å
321G60.2Low62.3Low44 Ų4472.5 Ų72.545%0.45437%0.367SS..Hα-helixtrans-75.2-36.7176.500000115Y317 F318 L319 A324Y317-G321 PolarHBondContact O-N 3.32Å; F318-G321 PolarHBondContact O-N 3.13Å; L319-G321 PolarHBondContact O-N 3.42Å; G321-A324 PolarHBondContact O-N 3.09Å
322R56.1Low59.8Low184 Ų18475.6 Ų75.669%0.69439%0.389SS*.Hα-helixtrans-69.9-41.9-176.7-79.2-173.1176.1-171.60.8113.5F318 L319 A324 R325 S326F318-R322 PolarHBondContact O-N 3.42Å; L319-R322 PolarHBondContact O-N 2.95Å; R322-A324 PolarHBondContact O-N 3.35Å; R322-R325 WeakPolarHBondContact O-CA 3.33Å; R322-R325 PolarHBondContact O-N 3.15Å; R322-S326 PolarHBondContact O-N 2.8Å
323D50.1Low57.5Low88 Ų8881.2 Ų81.247%0.47141%0.41SS..Hα-helixtrans-57.8-32.9176.5-78.7-15.6000113.5K250 L319 R325 S326 T327K250-D323 IonicContact NZ-OD2 3.05Å; L319-D323 PolarHBondContact O-N 3.26Å; D323-R325 VanDerWaalsContact C-N 3.3Å; D323-S326 PolarHBondContact O-OG 2.05Å; D323-T327 PolarHBondContact O-N 3.48Å; D323-T327 PolarHBondContact O-OG1 2.85Å
324A42.4Very low55.7Low27 Ų2786.9 Ų86.922%0.22344%0.44CS..Hα-helixtrans-70.5-29.1175.900000111.8G321 R322 L328G321-A324 PolarHBondContact O-N 3.09Å; R322-A324 PolarHBondContact O-N 3.35Å; A324-L328 WeakPolarHBondContact O-CD1 3.09Å; A324-L328 VanDerWaalsContact O-CG 3.27Å; A324-L328 WeakPolarHBondContact O-CG 3.27Å
325R46.9Very low53.5Low201 Ų20191.2 Ų91.276%0.75847%0.471SS*.Hα-helixtrans-85.4-37.8-178.4-149.7176.2-161.9-141.92.2112.3R322 D323 T327 L328 T329R322-R325 WeakPolarHBondContact O-CA 3.33Å; R322-R325 PolarHBondContact O-N 3.15Å; D323-R325 VanDerWaalsContact C-N 3.3Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 3.15Å; R325-L328 WeakPolarHBondContact O-CB 3.46Å; R325-L328 PolarHBondContact O-N 3.4Å; R325-T329 PolarHBondContact O-N 3.25Å; R325-T329 VanDerWaalsContact O-N 3.11Å; R325-T329 PolarHBondContact O-OG1 3.17Å
326S41.6Very low51.7Low60 Ų6092.8 Ų92.842%0.4249%0.488SS..Hα-helixtrans-66.8-33.6177.460.90000112.8R322 D323 T329 K330R322-S326 PolarHBondContact O-N 2.8Å; D323-S326 PolarHBondContact O-OG 2.05Å; S326-T329 PolarHBondContact O-OG1 3.33Å; S326-K330 PolarHBondContact O-N 2.7Å; S326-K330 VanDerWaalsContact O-N 3.08Å
327T44.3Very low50.1Low70 Ų7097.8 Ų97.843%0.42951%0.51SS..Hα-helixtrans-72.6-32.1175.5-49.70000111.5D323 R325 K331D323-T327 PolarHBondContact O-N 3.48Å; D323-T327 PolarHBondContact O-OG1 2.85Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 3.15Å; T327-K331 WeakPolarHBondContact O-CB 3.4Å; T327-K331 PolarHBondContact O-N 2.71Å
328L47.1Very low48.5Very low90 Ų90102 Ų10247%0.47154%0.536SS..Hα-helixtrans-69-42.2174.7-77.4164.2000112.2A324 R325 K331 S332A324-L328 WeakPolarHBondContact O-CD1 3.09Å; A324-L328 VanDerWaalsContact O-CG 3.27Å; A324-L328 WeakPolarHBondContact O-CG 3.27Å; R325-L328 WeakPolarHBondContact O-CB 3.46Å; R325-L328 PolarHBondContact O-N 3.4Å; L328-K331 PolarHBondContact O-N 3.08Å; L328-S332 PolarHBondContact O-N 2.94Å
329T45.4Very low46.8Very low83 Ų83103.8 Ų103.851%0.50956%0.555SS.*Hα-helixtrans-70.9-31.8175.524.30000112.9R325 S326 K333R325-T329 PolarHBondContact O-N 3.25Å; R325-T329 VanDerWaalsContact O-N 3.11Å; R325-T329 PolarHBondContact O-OG1 3.17Å; S326-T329 PolarHBondContact O-OG1 3.33Å; T329-K333 WeakPolarHBondContact O-CB 3.05Å; T329-K333 WeakPolarHBondContact O-CG 3.4Å; T329-K333 PolarHBondContact O-N 2.98Å
330K43.3Very low45.5Very low160 Ų160104.9 Ų104.970%0.69657%0.566SS**Hα-helixtrans-69.3-42.1171.3-101.6-177.4174.5-179.10112.4S326 K333 L334S326-K330 PolarHBondContact O-N 2.7Å; S326-K330 VanDerWaalsContact O-N 3.08Å; K330-K333 PolarHBondContact O-N 2.76Å; K330-L334 PolarHBondContact O-N 2.9Å
331K44.2Very low44.6Very low112 Ų112111.9 Ų111.949%0.48760%0.598SS.*Hα-helixtrans-68.3-36.8176.9-83.7-169.5173-170.20113.3T327 L328 L334 S335T327-K331 WeakPolarHBondContact O-CB 3.4Å; T327-K331 PolarHBondContact O-N 2.71Å; L328-K331 PolarHBondContact O-N 3.08Å; K331-L334 PolarHBondContact O-N 2.93Å; K331-S335 WeakPolarHBondContact O-CB 3.39Å; K331-S335 PolarHBondContact O-N 3.34Å
332S41.2Very low43.4Very low76 Ų76120.7 Ų120.753%0.53162%0.618SS.*Hα-helixtrans-71.1-31.1176.1920000112.6L328 S336L328-S332 PolarHBondContact O-N 2.94Å; S332-S336 PolarHBondContact O-N 3.45Å
333K41.2Very low42.5Very low149 Ų149119.9 Ų119.965%0.64862%0.622SS**Hα-helixtrans-73-37.5173.2-80-172.4174.2-170.80113T329 K330 S336T329-K333 WeakPolarHBondContact O-CB 3.05Å; T329-K333 WeakPolarHBondContact O-CG 3.4Å; T329-K333 PolarHBondContact O-N 2.98Å; K330-K333 PolarHBondContact O-N 2.76Å; K333-S336 PolarHBondContact O-N 2.68Å
334L46.7Very low41.8Very low121 Ų121125.4 Ų125.463%0.63464%0.642SS**Hα-helixtrans-69.7-35174.2-101.779.2000112.4K330 K331 S336 Q337K330-L334 PolarHBondContact O-N 2.9Å; K331-L334 PolarHBondContact O-N 2.93Å; L334-S336 PolarHBondContact O-N 3.09Å; L334-Q337 PolarHBondContact O-N 3.12Å
335S39.2Very low41.6Very low100 Ų100132.2 Ų132.270%0.69967%0.674SS**Hα-helixtrans-68.8-21.1176.3-171.90000113.4K331K331-S335 WeakPolarHBondContact O-CB 3.39Å; K331-S335 PolarHBondContact O-N 3.34Å
336S42.2Very low41.1Very low99 Ų99127.7 Ų127.769%0.69267%0.668SS**THydrogen-bonded Turntrans-91.93.6175.698.10000113.5S332 K333 L334S332-S336 PolarHBondContact O-N 3.45Å; K333-S336 PolarHBondContact O-N 2.68Å; L334-S336 PolarHBondContact O-N 3.09Å
337Q42.3Very low40.6Very low148 Ų148130 Ų13069%0.69268%0.681SS**SBendtrans-115.712.3-175.4-97.2-173.5-9.600114.4L334 P339L334-Q337 PolarHBondContact O-N 3.12Å; Q337-P339 VanDerWaalsContact O-CD 3.26Å; Q337-P339 WeakPolarHBondContact O-CD 3.32Å
338N36.5Very low40.2Very low138 Ų138137.2 Ų137.274%0.73871%0.706SS**  trans-97.1100.7168-101-13.9000110.3T340N338-T340 VanDerWaalsContact C-N 3.29Å; N338-T340 PolarHBondContact O-N 3.42Å
339P40.2Very low39.8Very low112 Ų112143.6 Ų143.673%0.72774%0.739SS**  trans-83.8-0.4179-3.224.9000113Q337 I341Q337-P339 VanDerWaalsContact O-CD 3.26Å; Q337-P339 WeakPolarHBondContact O-CD 3.32Å; P339-I341 PolarHBondContact O-N 3.07Å
340T42.7Very low39.5Very low120 Ų120146.7 Ų146.774%0.73675%0.751SS**SBendtrans-84.9-1.6-164.4-25.30000115N338N338-T340 VanDerWaalsContact C-N 3.29Å; N338-T340 PolarHBondContact O-N 3.42Å
341I43.3Very low39.3Very low167 Ų167145.9 Ų145.986%0.85675%0.754SS**SBendtrans-117.157174.3-46.1178.6000109.6P339P339-I341 PolarHBondContact O-N 3.07Å
342R33.9Very low39Very low229 Ų229147.8 Ų147.886%0.86477%0.768SS**SBendtrans-130.3-0.5164.7-109.2-174-171.5-154.51.7114.4
343H37.6Very low38.9Very low167 Ų167152.1 Ų152.177%0.77378%0.782SS**SBendtrans-99.22.9-174.2-148.9-62000115.1
344F36.1Very low38.7Very low205 Ų205152.3 Ų152.390%0.89979%0.791SS**SBendtrans-108.85.9-178.4-109.8-84000115.8
345L37.8Very low38.2Very low170 Ų170154.3 Ų154.389%0.8980%0.801SS**SBendtrans-135.448.5178.8-75.5167.8000112.2
346T35.6Very low38.1Very low105 Ų105158.2 Ų158.264%0.64481%0.809SS**SBendtrans-123.896.5154.541.60000108.1
347T32.1Very low37.8Very low110 Ų110162.8 Ų162.868%0.67582%0.818SS**  trans54.990.5140.636.40000117.2L349T347-L349 VanDerWaalsContact C-N 3.26Å; T347-L349 HydrophobicContact CG2-CD1 4.34Å; T347-L349 PolarHBondContact O-N 3.4Å
348K34.9Very low37.4Very low221 Ų221164 Ų16496%0.96183%0.828SS**  -58.6102122.9-82.5-175.2174.3-176.20106.7
349L38.8Very low37.5Very low224 Ų224166.4 Ų166.4100%1.17384%0.836SS**  trans-101.50148.5-109.4157.5000105.8T347T347-L349 VanDerWaalsContact C-N 3.26Å; T347-L349 HydrophobicContact CG2-CD1 4.34Å; T347-L349 PolarHBondContact O-N 3.4Å

Retrieved 349 of 349 residues in 862.3 ms (Link to these results)

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