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Annexin

Calcium/phospholipid-binding protein which promotes membrane fusion and is involved in exocytosis. Involved in reproduction of the worm. Involved in host-parasite interaction. Delivered into the host cell by means of parasite exosomes. Binds to acidic phospholipid membranes in a calcium-dependent manner in vitro. Causes aggregation of liposomes in the presence of calcium, but not in its absence. Likely to promote membrane fusion. May provide structural integrity within the tegument.

AlphaFold DB , UniProt , Accession G4VI62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 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
1M34.9Very low35Very low246 Ų246129.6 Ų129.6100%1.21281%0.807SS**  087.80-66.6178.3-158.400107.7G3M1-G3 PolarHBondContact O-N 3.42Å
2A36.3Very low35.4Very low109 Ų109125.1 Ų125.190%0.90178%0.782SS**  trans-84.9101.717000000106.2N4A2-N4 PolarHBondContact O-N 3.34Å; A2-N4 VanDerWaalsContact O-N 3.14Å
3G35.4Very low35.4Very low69 Ų69120.2 Ų120.271%0.71177%0.77SS**  trans-63.8112.1172.900000108.2M1 L5M1-G3 PolarHBondContact O-N 3.42Å; G3-L5 PolarHBondContact O-N 2.82Å
4N35.4Very low36.5Very low163 Ų163119.6 Ų119.687%0.87277%0.772SS**  trans-61.8101.6168.7-136.710.6000106.2A2 G6A2-N4 PolarHBondContact O-N 3.34Å; A2-N4 VanDerWaalsContact O-N 3.14Å; N4-G6 PolarHBondContact O-N 2.83Å
5L36.9Very low38.6Very low175 Ų175119.2 Ų119.292%0.91676%0.76SS**  trans-71.866.9165.9-73.8164.9000107G3 F7G3-L5 PolarHBondContact O-N 2.82Å; L5-F7 PolarHBondContact O-N 3.44Å
6G34.5Very low41.6Very low56 Ų56117.8 Ų117.858%0.57775%0.749SS**  trans-61.3132.6166.200000107.4N4 N8N4-G6 PolarHBondContact O-N 2.83Å; G6-N8 PolarHBondContact O-N 3.17Å
7F42.8Very low44.7Very low151 Ų151114.2 Ų114.266%0.66272%0.721SS**  trans-44.5110.7171.6-78.2-99.3000109.8L5 V9 D59L5-F7 PolarHBondContact O-N 3.44Å; F7-V9 HydrophobicContact CB-CG2 3.94Å; F7-V9 PolarHBondContact O-N 3.25Å; F7-D59 VanDerWaalsContact CE2-OD2 3.23Å; F7-D59 WeakPolarHBondContact CE2-OD2 3.47Å; F7-D59 WeakPolarHBondContact CZ-OD2 3.44Å
8N27.4Very low47.6Very low159 Ų159109.1 Ų109.185%0.8569%0.689SS**  trans-76.472.5154.8-157.54.1000105.4G6 G10G6-N8 PolarHBondContact O-N 3.17Å; N8-G10 PolarHBondContact O-N 3.25Å
9V39.3Very low50.2Low109 Ų109103.3 Ų103.366%0.66165%0.652SS**  trans-58.1110163.3-127.50000104.1F7 S11F7-V9 HydrophobicContact CB-CG2 3.94Å; F7-V9 PolarHBondContact O-N 3.25Å; V9-S11 PolarHBondContact O-N 3.32Å
10G32.5Very low52.5Low58 Ų5898.3 Ų98.360%0.59862%0.62SS**  trans-45.7137.4177.900000109.4N8 C12N8-G10 PolarHBondContact O-N 3.25Å; G10-C12 PolarHBondContact O-N 3.32Å
11S30.1Very low54.6Low131 Ų13197.6 Ų97.692%0.91661%0.608SS**SBendtrans-66.656.9-173.3630000113.7V9V9-S11 PolarHBondContact O-N 3.32Å
12C40Very low57.5Low75 Ų7590 Ų9051%0.50758%0.578SS.*SBendtrans-108.6111.5164-157.90000106.4G10 S14G10-C12 PolarHBondContact O-N 3.32Å; C12-S14 PolarHBondContact O-N 2.91Å
13G35Very low60.3Low61 Ų6186 Ų8663%0.62954%0.544SS*.  trans-54.5126.2-162.500000116.1N15G13-N15 PolarHBondContact O-N 3.26Å
14S50.3Low63.1Low113 Ų11388.2 Ų88.279%0.7955%0.549SS*.SBendtrans42.762.9133.266.90000119.5C12C12-S14 PolarHBondContact O-N 2.91Å
15N68.3Low65.8Low113 Ų11387.4 Ų87.460%0.60455%0.545SS*.  trans-148.755.1160.3-89.8-38000111.7G13 H17G13-N15 PolarHBondContact O-N 3.26Å; N15-H17 PolarHBondContact O-CD2 3.42Å; N15-H17 PolarHBondContact OD1-NE2 3.32Å
16V86.5Confident68.7Low96 Ų9681.6 Ų81.658%0.58251%0.512SS*.  trans-81.2118.5163.4-170.30000106.7P18 I290V16-P18 HydrophobicContact CG1-CB 4.48Å; V16-P18 HydrophobicContact CG1-CG 4.19Å; V16-I290 CarbonylContact C-O 3.57Å; V16-I290 WeakPolarHBondContact CA-O 3.36Å; V16-I290 VanDerWaalsContact CG1-O 3.24Å; V16-I290 WeakPolarHBondContact CG1-O 3.42Å
17H94.6Very high71.7Confident58 Ų5882.4 Ų82.427%0.26950%0.503SS..  trans-126.771.7179.3-69.3-90.9000107.8N15 I290 D291 L292 H293 L294N15-H17 PolarHBondContact O-CD2 3.42Å; N15-H17 PolarHBondContact OD1-NE2 3.32Å; H17-I290 CarbonylContact C-O 3.52Å; H17-I290 PolarHBondContact N-O 2.85Å; H17-D291 CarbonylContact O-C 3.49Å; H17-D291 VanDerWaalsContact O-C 3.26Å; H17-D291 VanDerWaalsContact O-CA 3.26Å; H17-D291 WeakPolarHBondContact O-CA 3.16Å; H17-L292 PolarHBondContact O-N 3.37Å; H17-H293 HydrophobicContact CB-CB 4.07Å; H17-H293 WeakPolarHBondContact O-CB 3.32Å; H17-H293 PolarHBondContact O-N 3.26Å; H17-L294 HydrophobicContact CB-CD1 4.22Å; H17-L294 HydrophobicContact CB-CD2 4.43Å; H17-L294 HydrophobicContact CB-CG 3.72Å; H17-L294 VanDerWaalsContact CD2-CD1 3.43Å; H17-L294 WeakPolarHBondContact CD2-CD1 3.43Å
18P96.5Very high74.3Confident21 Ų2176.4 Ų76.414%0.13648%0.479CS..  trans-81.8164-174.835.9-30.3000110.4V16 F21 C288V16-P18 HydrophobicContact CG1-CB 4.48Å; V16-P18 HydrophobicContact CG1-CG 4.19Å; P18-F21 HydrophobicContact CG-CD1 3.99Å; P18-F21 HydrophobicContact CG-CE1 3.47Å; P18-F21 VanDerWaalsContact CG-CE1 3.47Å; P18-F21 HydrophobicContact CG-CE2 4.42Å; P18-F21 HydrophobicContact CG-CZ 3.72Å; P18-F21 WeakPolarHBondContact O-CZ 3.48Å; P18-C288 CarbonylContact C-O 3.54Å; P18-C288 WeakPolarHBondContact CA-O 3.46Å; P18-C288 WeakPolarHBondContact CB-O 3.3Å
19T97.5Very high77.7Confident0 Ų072.5 Ų72.50%046%0.456CS..SBendtrans-105.2-23.6167.549.70000111.3C288 L292 H293 K296 L326 V327 N330T19-C288 PolarHBondContact N-O 3.19Å; T19-C288 PolarHBondContact OG1-O 3.22Å; T19-L292 HydrophobicContact CG2-CB 4.11Å; T19-L292 HydrophobicContact CG2-CG 4.15Å; T19-L292 WeakPolarHBondContact OG1-CD2 3.19Å; T19-H293 HydrophobicContact CG2-CB 4.09Å; T19-K296 HydrophobicContact CG2-CD 3.82Å; T19-L326 WeakPolarHBondContact CB-O 3.27Å; T19-L326 PolarHBondContact OG1-O 2.66Å; T19-V327 WeakPolarHBondContact CB-O 3.17Å; T19-V327 VanDerWaalsContact CG2-O 3.26Å; T19-V327 WeakPolarHBondContact CG2-O 3.36Å; T19-N330 PolarHBondContact O-N 3.26Å
20L96.6Very high80.5Confident3 Ų370.7 Ų70.72%0.01644%0.443CS..  trans-107.4127.4175.2-176.459.4000111.1G54 C288 E289 L326L20-G54 WeakPolarHBondContact CD1-O 3.38Å; L20-C288 HydrophobicContact CB-CB 4.26Å; L20-C288 PolarHBondContact N-O 2.87Å; L20-C288 VanDerWaalsContact N-O 3.1Å; L20-E289 HydrophobicContact CB-CG 4.02Å; L20-E289 HydrophobicContact CD2-CG 4.08Å; L20-E289 HydrophobicContact CG-CG 4.18Å; L20-L326 HydrophobicContact CD2-CD2 3.77Å
21F95.6Very high83.7Confident84 Ų8468.1 Ų68.137%0.36842%0.415SS..  trans-117.7154.3-178.3-61.2-94.5000111P18 A23 T329 N330P18-F21 HydrophobicContact CG-CD1 3.99Å; P18-F21 HydrophobicContact CG-CE1 3.47Å; P18-F21 VanDerWaalsContact CG-CE1 3.47Å; P18-F21 HydrophobicContact CG-CE2 4.42Å; P18-F21 HydrophobicContact CG-CZ 3.72Å; P18-F21 WeakPolarHBondContact O-CZ 3.48Å; F21-A23 PolarHBondContact O-N 3.3Å; F21-T329 HydrophobicContact CE2-CG2 4.02Å; F21-N330 WeakPolarHBondContact CD2-O 3.49Å
22P96.1Very high86.9Confident87 Ų8761.9 Ų61.957%0.56537%0.371SS*.  trans-57.5132.5169.2-21.231.8000111.3S24P22-S24 PolarHBondContact O-N 3.28Å
23A95.6Very high89.7Confident24 Ų2463 Ų6320%0.19837%0.369CS..  trans-66.2131.7175.400000111.1F21 Q60F21-A23 PolarHBondContact O-N 3.3Å; A23-Q60 PolarHBondContact O-NE2 3.16Å
24S93.8Very high92.7Very high115 Ų11563.5 Ų63.580%0.80435%0.352SS*.THydrogen-bonded Turntrans-68.2-37.7-177.253.20000113.6P22P22-S24 PolarHBondContact O-N 3.28Å
25N92.1Very high95Very high147 Ų14758.1 Ų58.179%0.78631%0.314SS*.THydrogen-bonded Turntrans-102.441.8179.8-64.9-33.3000112N27N25-N27 PolarHBondContact O-N 2.92Å; N25-N27 VanDerWaalsContact O-N 3.15Å
26F97.2Very high96.4Very high52 Ų5258.1 Ų58.123%0.22831%0.306CS..  trans-63.8115.7-176.7-179.8-129.1000111.9P28 D31 R56 Q60 V63 L64F26-P28 HydrophobicContact CD1-CG 4.09Å; F26-P28 HydrophobicContact CE1-CB 4.45Å; F26-P28 HydrophobicContact CE1-CG 3.59Å; F26-P28 HydrophobicContact CE2-CG 4.41Å; F26-P28 HydrophobicContact CZ-CB 4.17Å; F26-P28 HydrophobicContact CZ-CG 3.77Å; F26-D31 WeakPolarHBondContact CD2-OD2 3.39Å; F26-D31 WeakPolarHBondContact CE2-OD2 3.46Å; F26-R56 HydrophobicContact CE2-CG 4.47Å; F26-Q60 VanDerWaalsContact CB-NE2 3.35Å; F26-Q60 HydrophobicContact CD1-CB 4.23Å; F26-Q60 HydrophobicContact CD1-CG 3.69Å; F26-Q60 HydrophobicContact CD2-CB 4.23Å; F26-Q60 HydrophobicContact CD2-CG 4.23Å; F26-Q60 HydrophobicContact CE1-CB 3.85Å; F26-Q60 HydrophobicContact CE1-CG 3.75Å; F26-Q60 HydrophobicContact CE2-CB 3.87Å; F26-Q60 HydrophobicContact CE2-CG 4.29Å; F26-Q60 HydrophobicContact CG-CB 4.4Å; F26-Q60 HydrophobicContact CG-CG 3.92Å; F26-Q60 HydrophobicContact CZ-CB 3.67Å; F26-Q60 HydrophobicContact CZ-CG 4.07Å; F26-Q60 WeakPolarHBondContact CZ-O 3.43Å; F26-V63 HydrophobicContact CE1-CB 4.17Å; F26-V63 HydrophobicContact CE1-CG1 4.1Å; F26-V63 HydrophobicContact CZ-CB 4.2Å; F26-V63 HydrophobicContact CZ-CG1 4.21Å; F26-L64 HydrophobicContact CE2-CD1 4.31Å; F26-L64 HydrophobicContact CE2-CD2 3.73Å; F26-L64 HydrophobicContact CE2-CG 3.98Å; F26-L64 HydrophobicContact CZ-CD2 3.85Å; F26-L64 HydrophobicContact CZ-CG 4.01Å
27N98.2Very high96.9Very high74 Ų7457.8 Ų57.840%0.39630%0.301SS..  trans-12197.9174.7-178.6-30000108.6N25 E29 N30 D31N25-N27 PolarHBondContact O-N 2.92Å; N25-N27 VanDerWaalsContact O-N 3.15Å; N27-E29 VanDerWaalsContact C-N 3.31Å; N27-E29 PolarHBondContact O-N 3.19Å; N27-E29 PolarHBondContact OD1-N 3.21Å; N27-N30 HydrophobicContact CB-CB 4.01Å; N27-N30 PolarHBondContact O-N 3.3Å; N27-N30 PolarHBondContact OD1-N 3.43Å; N27-D31 WeakPolarHBondContact O-CB 3.16Å; N27-D31 PolarHBondContact O-N 2.91Å
28P98.2Very high97.1Very high24 Ų2455.2 Ų55.216%0.15629%0.29CS..Hα-helixtrans-57.4-39.8-176.3-23.930.8000114F26 C32 V63 L64 K67F26-P28 HydrophobicContact CD1-CG 4.09Å; F26-P28 HydrophobicContact CE1-CB 4.45Å; F26-P28 HydrophobicContact CE1-CG 3.59Å; F26-P28 HydrophobicContact CE2-CG 4.41Å; F26-P28 HydrophobicContact CZ-CB 4.17Å; F26-P28 HydrophobicContact CZ-CG 3.77Å; P28-C32 VanDerWaalsContact O-CB 3.3Å; P28-C32 WeakPolarHBondContact O-CB 3.38Å; P28-C32 PolarHBondContact O-N 3.33Å; P28-C32 PolarHBondContact O-SG 3.36Å; P28-V63 HydrophobicContact CB-CG1 3.97Å; P28-V63 HydrophobicContact CG-CG1 3.87Å; P28-L64 HydrophobicContact CB-CD2 4.22Å; P28-K67 HydrophobicContact CB-CG 4.2Å
29E98.4Very high97.1Very high77 Ų7755 Ų5536%0.3629%0.287SS..Hα-helixtrans-62.8-52.2179.1-72.677.5-176.600111.1N27 D31 C32 E33 K67 L71N27-E29 VanDerWaalsContact C-N 3.31Å; N27-E29 PolarHBondContact O-N 3.19Å; N27-E29 PolarHBondContact OD1-N 3.21Å; E29-D31 PolarHBondContact O-N 2.85Å; E29-C32 PolarHBondContact O-N 3.4Å; E29-E33 WeakPolarHBondContact O-CG 3.45Å; E29-E33 PolarHBondContact O-N 3.01Å; E29-K67 WeakPolarHBondContact OE1-CE 3.29Å; E29-K67 IonicContact OE1-NZ 3.88Å; E29-K67 PolarHBondContact OE1-NZ 3.22Å; E29-L71 HydrophobicContact CG-CD1 4.48Å
30N98.3Very high96.9Very high72 Ų7258 Ų5839%0.38531%0.312SS..Hα-helixtrans-62.9-42.6179.2178.277.7000111.9N27 E33 R34N27-N30 HydrophobicContact CB-CB 4.01Å; N27-N30 PolarHBondContact O-N 3.3Å; N27-N30 PolarHBondContact OD1-N 3.43Å; N30-E33 PolarHBondContact O-N 3.21Å; N30-R34 WeakPolarHBondContact O-CG 3.49Å; N30-R34 PolarHBondContact O-N 2.84Å
31D98.6Very high96.6Very high3 Ų361.1 Ų61.12%0.01635%0.345CS..Hα-helixtrans-62.8-42.4176-75.9-10.2000111.1F26 N27 E29 E33 R34 L35 I52 R56 L64F26-D31 WeakPolarHBondContact CD2-OD2 3.39Å; F26-D31 WeakPolarHBondContact CE2-OD2 3.46Å; N27-D31 WeakPolarHBondContact O-CB 3.16Å; N27-D31 PolarHBondContact O-N 2.91Å; E29-D31 PolarHBondContact O-N 2.85Å; D31-E33 PolarHBondContact O-N 3.39Å; D31-R34 PolarHBondContact O-N 3.37Å; D31-L35 WeakPolarHBondContact O-CB 3.26Å; D31-L35 VanDerWaalsContact O-CG 3.28Å; D31-L35 WeakPolarHBondContact O-CG 3.34Å; D31-L35 PolarHBondContact O-N 2.99Å; D31-I52 HydrophobicContact CB-CG2 4.17Å; D31-R56 VanDerWaalsContact CG-NH2 3.34Å; D31-R56 IonicContact OD1-CZ 2.75Å; D31-R56 IonicContact OD1-NH2 3.9Å; D31-R56 PolarHBondContact OD1-NH2 3.25Å; D31-R56 IonicContact OD2-CZ 3.68Å; D31-R56 VanDerWaalsContact OD2-CZ 3.29Å; D31-R56 IonicContact OD2-NE 2.72Å; D31-R56 PolarHBondContact OD2-NE 3.17Å; D31-R56 IonicContact OD2-NH2 3.8Å; D31-R56 PolarHBondContact OD2-NH2 3.35Å; D31-L64 HydrophobicContact CB-CD1 4.18Å; D31-L64 HydrophobicContact CB-CD2 3.57Å
32C98.7Very high96.1Very high0 Ų066.1 Ų66.10%038%0.375CS..Hα-helixtrans-63.6-40.4175.8-72.70000112.5P28 E29 L35 R36 F68 L71 F72P28-C32 VanDerWaalsContact O-CB 3.3Å; P28-C32 WeakPolarHBondContact O-CB 3.38Å; P28-C32 PolarHBondContact O-N 3.33Å; P28-C32 PolarHBondContact O-SG 3.36Å; E29-C32 PolarHBondContact O-N 3.4Å; C32-L35 PolarHBondContact O-N 2.86Å; C32-R36 WeakPolarHBondContact O-CB 3.42Å; C32-R36 PolarHBondContact O-N 2.79Å; C32-F68 HydrophobicContact CB-CD2 4.2Å; C32-L71 HydrophobicContact CB-CD1 3.85Å; C32-F72 HydrophobicContact CB-CE2 4Å; C32-F72 WeakPolarHBondContact O-CE2 3.28Å
33E98.2Very high95.8Very high100 Ų10064.5 Ų64.547%0.46737%0.374SS..Hα-helixtrans-63.3-44175.1-75.1179.3178.400111.8E29 N30 D31 R36 N37 F72E29-E33 WeakPolarHBondContact O-CG 3.45Å; E29-E33 PolarHBondContact O-N 3.01Å; N30-E33 PolarHBondContact O-N 3.21Å; D31-E33 PolarHBondContact O-N 3.39Å; E33-R36 PolarHBondContact O-N 3.18Å; E33-N37 WeakPolarHBondContact O-CB 3.35Å; E33-N37 PolarHBondContact O-N 3.22Å; E33-N37 PolarHBondContact O-ND2 3.44Å; E33-N37 PolarHBondContact O-OD1 3.29Å; E33-F72 HydrophobicContact CG-CZ 4.15Å
34R98.2Very high95.8Very high71 Ų7164.4 Ų64.427%0.26837%0.371SS..Hα-helixtrans-61.8-46.7174.6-73.5-177.866.6-157.81.5111.9N30 D31 R36 N37 A38 D48 I52N30-R34 WeakPolarHBondContact O-CG 3.49Å; N30-R34 PolarHBondContact O-N 2.84Å; D31-R34 PolarHBondContact O-N 3.37Å; R34-R36 VanDerWaalsContact C-N 3.31Å; R34-R36 PolarHBondContact O-N 3.47Å; R34-N37 PolarHBondContact O-N 3.4Å; R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 2.75Å; R34-D48 IonicContact CZ-OD1 3.58Å; R34-D48 IonicContact NE-OD1 2.85Å; R34-D48 IonicContact NH2-OD1 3.43Å; R34-D48 PolarHBondContact NH2-OD1 3.02Å; R34-I52 HydrophobicContact CB-CD1 3.5Å; R34-I52 VanDerWaalsContact CB-CD1 3.5Å
35L98.4Very high95.9Very high0 Ų062.3 Ų62.30%035%0.351CS..Hα-helixtrans-56.7-45.5175.1-72.5173.1000111.4D31 C32 A38 M39 L49 I52 M53 L64 F68 L76 F80D31-L35 WeakPolarHBondContact O-CB 3.26Å; D31-L35 VanDerWaalsContact O-CG 3.28Å; D31-L35 WeakPolarHBondContact O-CG 3.34Å; D31-L35 PolarHBondContact O-N 2.99Å; C32-L35 PolarHBondContact O-N 2.86Å; L35-A38 PolarHBondContact O-N 3.3Å; L35-M39 HydrophobicContact CB-CE 4.43Å; L35-M39 VanDerWaalsContact O-CE 3.28Å; L35-M39 WeakPolarHBondContact O-CE 3.48Å; L35-M39 WeakPolarHBondContact O-CG 3.31Å; L35-M39 PolarHBondContact O-N 2.94Å; L35-L49 HydrophobicContact CD2-CD2 3.61Å; L35-I52 HydrophobicContact CD1-CG2 4.27Å; L35-I52 HydrophobicContact CD2-CB 4.17Å; L35-I52 HydrophobicContact CD2-CD1 3.9Å; L35-I52 HydrophobicContact CD2-CG2 4.09Å; L35-I52 HydrophobicContact CG-CD1 3.87Å; L35-I52 HydrophobicContact CG-CG2 4.17Å; L35-M53 HydrophobicContact CD1-SD 4.37Å; L35-M53 HydrophobicContact CD2-CG 4.24Å; L35-M53 HydrophobicContact CD2-SD 4.44Å; L35-L64 HydrophobicContact CD1-CD1 4.33Å; L35-F68 HydrophobicContact CB-CD2 4.46Å; L35-F68 HydrophobicContact CB-CE2 4.18Å; L35-L76 HydrophobicContact CD1-CD1 4.23Å; L35-L76 HydrophobicContact CD1-CD2 4.09Å; L35-F80 HydrophobicContact CD2-CE1 4.36Å; L35-F80 HydrophobicContact CD2-CZ 4.05Å
36R97.6Very high96.2Very high113 Ų11358.1 Ų58.143%0.42633%0.326SS..Hα-helixtrans-63.3-43.5178-174.1-168.467.8113.610.8111.7C32 E33 R34 M39 A40 F68 F72C32-R36 WeakPolarHBondContact O-CB 3.42Å; C32-R36 PolarHBondContact O-N 2.79Å; E33-R36 PolarHBondContact O-N 3.18Å; R34-R36 VanDerWaalsContact C-N 3.31Å; R34-R36 PolarHBondContact O-N 3.47Å; R36-M39 CarbonylContact O-C 3.59Å; R36-M39 PolarHBondContact O-N 2.62Å; R36-A40 WeakPolarHBondContact O-CB 3.35Å; R36-A40 PolarHBondContact O-N 3.23Å; R36-F68 HydrophobicContact CB-CE2 3.9Å; R36-F68 HydrophobicContact CB-CZ 4.33Å; R36-F72 HydrophobicContact CB-CD2 4.29Å; R36-F72 HydrophobicContact CB-CE2 3.86Å; R36-F72 HydrophobicContact CB-CZ 4.14Å; R36-F72 VanDerWaalsContact CD-CE1 3.49Å; R36-F72 HydrophobicContact CG-CD2 4.42Å; R36-F72 HydrophobicContact CG-CE2 4.35Å; R36-F72 HydrophobicContact CG-CZ 4.49Å
37N97.7Very high96.2Very high88 Ų8860.3 Ų60.347%0.47134%0.337SS..Hα-helixtrans-68.2-37.3-179.6-66.4-14.1000111.5E33 R34 M39 A40E33-N37 WeakPolarHBondContact O-CB 3.35Å; E33-N37 PolarHBondContact O-N 3.22Å; E33-N37 PolarHBondContact O-ND2 3.44Å; E33-N37 PolarHBondContact O-OD1 3.29Å; R34-N37 PolarHBondContact O-N 3.4Å; N37-M39 PolarHBondContact O-N 3.14Å; N37-A40 PolarHBondContact O-N 2.72Å
38A97.8Very high96.2Very high4 Ų458.8 Ų58.83%0.03333%0.329CS..Hα-helixtrans-64-25.5175.400000113R34 L35 T44 N45 D48 L49R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 2.75Å; L35-A38 PolarHBondContact O-N 3.3Å; A38-T44 CarbonylContact O-C 3.58Å; A38-T44 WeakPolarHBondContact O-CA 3.4Å; A38-T44 WeakPolarHBondContact O-CG2 3.2Å; A38-N45 HydrophobicContact CB-CB 4.05Å; A38-N45 PolarHBondContact O-N 3.34Å; A38-D48 HydrophobicContact CB-CB 3.8Å; A38-L49 HydrophobicContact CB-CD2 3.61Å; A38-L49 HydrophobicContact CB-CG 4.21Å
39M97.2Very high96.2Very high16 Ų1657.6 Ų57.68%0.07932%0.322CS..THydrogen-bonded Turntrans-101.311.6176.8-66.3-174.4-69.600113.2L35 R36 N37 T44 L49 F68 L76 N79 F80 E83L35-M39 HydrophobicContact CB-CE 4.43Å; L35-M39 VanDerWaalsContact O-CE 3.28Å; L35-M39 WeakPolarHBondContact O-CE 3.48Å; L35-M39 WeakPolarHBondContact O-CG 3.31Å; L35-M39 PolarHBondContact O-N 2.94Å; R36-M39 CarbonylContact O-C 3.59Å; R36-M39 PolarHBondContact O-N 2.62Å; N37-M39 PolarHBondContact O-N 3.14Å; M39-T44 HydrophobicContact CG-CG2 4.39Å; M39-L49 HydrophobicContact CG-CD2 4.27Å; M39-F68 HydrophobicContact CE-CE2 4.01Å; M39-F68 HydrophobicContact CE-CZ 3.67Å; M39-L76 HydrophobicContact CE-CD1 3.94Å; M39-N79 HydrophobicContact CE-CB 4Å; M39-N79 HydrophobicContact SD-CB 3.91Å; M39-F80 HydrophobicContact CE-CD1 4.37Å; M39-F80 HydrophobicContact CE-CE1 4.14Å; M39-F80 HydrophobicContact SD-CD1 3.5Å; M39-F80 WeakPolarHBondContact SD-CD1 3.42Å; M39-F80 HydrophobicContact SD-CE1 3.73Å; M39-E83 HydrophobicContact CB-CG 3.9Å; M39-E83 HydrophobicContact CG-CB 4.48Å; M39-E83 HydrophobicContact CG-CG 3.93Å; M39-E83 HydrophobicContact SD-CG 4.14Å
40A92.7Very high96.2Very high63 Ų6354.1 Ų54.152%0.52131%0.305SS..SBendtrans-100.7130.7-176.500000111.8R36 N37R36-A40 WeakPolarHBondContact O-CB 3.35Å; R36-A40 PolarHBondContact O-N 3.23Å; N37-A40 PolarHBondContact O-N 2.72Å
41G89.7Confident96.1Very high70 Ų7053.6 Ų53.672%0.72230%0.302SS*.SBendtrans99-148.517200000113.1
42L85.2Confident96.1Very high188 Ų18853.4 Ų53.498%0.98430%0.302SS*.SBendtrans-89.4119.7175.8-68.6177.9000109.4
43G90.2Very high96Very high53 Ų5353.4 Ų53.455%0.54630%0.302SS..SBendtrans83.6178.5-17700000112.7
44T95.1Very high96Very high23 Ų2348.7 Ų48.714%0.14128%0.279CS..  trans-124.7148.4-179.8-52.90000108.6A38 M39 L49 E83 L84A38-T44 CarbonylContact O-C 3.58Å; A38-T44 WeakPolarHBondContact O-CA 3.4Å; A38-T44 WeakPolarHBondContact O-CG2 3.2Å; M39-T44 HydrophobicContact CG-CG2 4.39Å; T44-L49 HydrophobicContact CG2-CD1 3.6Å; T44-L49 HydrophobicContact CG2-CG 4.33Å; T44-E83 HydrophobicContact CG2-CB 4.49Å; T44-E83 PolarHBondContact OG1-OE2 3.04Å; T44-L84 HydrophobicContact CG2-CD2 3.89Å
45N97Very high95.9Very high71 Ų7147.9 Ų47.938%0.3828%0.279SS..  trans-94.185.1167.9-175.4-4.6000108.8A38 Q47 D48 L49A38-N45 HydrophobicContact CB-CB 4.05Å; A38-N45 PolarHBondContact O-N 3.34Å; N45-Q47 PolarHBondContact O-N 3.24Å; N45-Q47 PolarHBondContact OD1-N 2.93Å; N45-D48 HydrophobicContact CB-CB 4.25Å; N45-D48 VanDerWaalsContact ND2-CG 3.3Å; N45-D48 PolarHBondContact ND2-OD2 3.42Å; N45-D48 PolarHBondContact O-N 2.82Å; N45-D48 PolarHBondContact OD1-N 3.3Å; N45-L49 PolarHBondContact O-N 3.16Å
46E97.7Very high95.9Very high59 Ų5949.3 Ų49.328%0.27628%0.284SS..Hα-helixtrans-61.3-32.3-176.1-64.183.1-176.900112.3L49 I50 F88 D318E46-L49 WeakPolarHBondContact O-CB 3.25Å; E46-L49 PolarHBondContact O-N 3.15Å; E46-I50 WeakPolarHBondContact O-CD1 3.35Å; E46-I50 VanDerWaalsContact O-CG1 3.26Å; E46-I50 WeakPolarHBondContact O-CG1 3.24Å; E46-I50 PolarHBondContact O-N 3.28Å; E46-F88 HydrophobicContact CB-CE1 3.86Å; E46-F88 HydrophobicContact CB-CZ 3.89Å; E46-F88 HydrophobicContact CG-CD1 4.32Å; E46-F88 HydrophobicContact CG-CE1 3.53Å; E46-F88 HydrophobicContact CG-CZ 4.11Å; E46-D318 HydrophobicContact CB-CB 3.97Å; E46-D318 VanDerWaalsContact CB-CG 3.46Å; E46-D318 HydrophobicContact CG-CB 4.23Å
47Q97.6Very high95.8Very high97 Ų9744.2 Ų44.245%0.45327%0.266SS..Hα-helixtrans-63.1-43.7177.2-172.862.657.200111.8N45 L49 I50 D51N45-Q47 PolarHBondContact O-N 3.24Å; N45-Q47 PolarHBondContact OD1-N 2.93Å; Q47-L49 VanDerWaalsContact C-N 3.28Å; Q47-L49 PolarHBondContact O-N 3.27Å; Q47-I50 PolarHBondContact O-N 2.91Å; Q47-D51 PolarHBondContact NE2-OD1 2.65Å; Q47-D51 WeakPolarHBondContact O-CB 3.17Å; Q47-D51 PolarHBondContact O-N 2.96Å
48D97.6Very high95.8Very high42 Ų4240.7 Ų40.723%0.22525%0.248CC..Hα-helixtrans-63.1-36.7175.6-95.3-28.2000111.6R34 A38 N45 I52R34-D48 IonicContact CZ-OD1 3.58Å; R34-D48 IonicContact NE-OD1 2.85Å; R34-D48 IonicContact NH2-OD1 3.43Å; R34-D48 PolarHBondContact NH2-OD1 3.02Å; A38-D48 HydrophobicContact CB-CB 3.8Å; N45-D48 HydrophobicContact CB-CB 4.25Å; N45-D48 VanDerWaalsContact ND2-CG 3.3Å; N45-D48 PolarHBondContact ND2-OD2 3.42Å; N45-D48 PolarHBondContact O-N 2.82Å; N45-D48 PolarHBondContact OD1-N 3.3Å; D48-I52 WeakPolarHBondContact O-CD1 3.49Å; D48-I52 WeakPolarHBondContact O-CG1 3.43Å; D48-I52 PolarHBondContact O-N 3.04Å
49L98.4Very high95.8Very high0 Ų044.8 Ų44.80%027%0.27CS..Hα-helixtrans-64.7-43.5175.4-57.6-172.1000111.2L35 A38 M39 T44 N45 E46 Q47 I52 M53 F80 L84 M92L35-L49 HydrophobicContact CD2-CD2 3.61Å; A38-L49 HydrophobicContact CB-CD2 3.61Å; A38-L49 HydrophobicContact CB-CG 4.21Å; M39-L49 HydrophobicContact CG-CD2 4.27Å; T44-L49 HydrophobicContact CG2-CD1 3.6Å; T44-L49 HydrophobicContact CG2-CG 4.33Å; N45-L49 PolarHBondContact O-N 3.16Å; E46-L49 WeakPolarHBondContact O-CB 3.25Å; E46-L49 PolarHBondContact O-N 3.15Å; Q47-L49 VanDerWaalsContact C-N 3.28Å; Q47-L49 PolarHBondContact O-N 3.27Å; L49-I52 PolarHBondContact O-N 3.49Å; L49-M53 WeakPolarHBondContact O-CB 3.39Å; L49-M53 WeakPolarHBondContact O-CG 3.5Å; L49-M53 PolarHBondContact O-N 3.46Å; L49-F80 HydrophobicContact CD1-CD1 4.3Å; L49-F80 HydrophobicContact CD1-CE1 4.02Å; L49-F80 HydrophobicContact CD2-CE1 3.93Å; L49-L84 HydrophobicContact CD1-CD1 4.03Å; L49-L84 HydrophobicContact CD1-CD2 3.96Å; L49-L84 HydrophobicContact CD1-CG 4.45Å; L49-M92 HydrophobicContact CB-CE 3.55Å
50I98.3Very high95.8Very high3 Ų345 Ų452%0.01527%0.271CS..Hα-helixtrans-65.7-43.6178.2-67.6162.3000111.3E46 Q47 I52 G54 H55 F88 M92 D318 L322 A325E46-I50 WeakPolarHBondContact O-CD1 3.35Å; E46-I50 VanDerWaalsContact O-CG1 3.26Å; E46-I50 WeakPolarHBondContact O-CG1 3.24Å; E46-I50 PolarHBondContact O-N 3.28Å; Q47-I50 PolarHBondContact O-N 2.91Å; I50-I52 PolarHBondContact O-N 3.37Å; I50-I52 VanDerWaalsContact O-N 3.16Å; I50-G54 VanDerWaalsContact O-CA 3.29Å; I50-G54 WeakPolarHBondContact O-CA 3.49Å; I50-G54 PolarHBondContact O-N 3.47Å; I50-H55 PolarHBondContact O-ND1 2.96Å; I50-F88 HydrophobicContact CD1-CE2 3.99Å; I50-F88 HydrophobicContact CD1-CZ 4.21Å; I50-F88 HydrophobicContact CG1-CE2 3.81Å; I50-F88 HydrophobicContact CG1-CZ 4.03Å; I50-M92 HydrophobicContact CG1-CE 4.15Å; I50-D318 HydrophobicContact CD1-CB 4.19Å; I50-L322 HydrophobicContact CG1-CB 4.11Å; I50-L322 HydrophobicContact CG1-CD1 4.2Å; I50-L322 HydrophobicContact CG2-CD1 4.28Å; I50-A325 HydrophobicContact CG2-CB 3.9Å
51D96.3Very high96.1Very high61 Ų6142.3 Ų42.333%0.32625%0.247SC..Hα-helixtrans-62.6-22.9179.5-73.4-5.7000112.7Q47 H55Q47-D51 PolarHBondContact NE2-OD1 2.65Å; Q47-D51 WeakPolarHBondContact O-CB 3.17Å; Q47-D51 PolarHBondContact O-N 2.96Å; D51-H55 WeakPolarHBondContact O-CB 3.34Å; D51-H55 PolarHBondContact O-ND1 3.47Å
52I97.5Very high96.5Very high0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-94-64.3174.7-62.4167.4000109.6D31 R34 L35 D48 L49 I50 G54 H55 R56 L64D31-I52 HydrophobicContact CB-CG2 4.17Å; R34-I52 HydrophobicContact CB-CD1 3.5Å; R34-I52 VanDerWaalsContact CB-CD1 3.5Å; L35-I52 HydrophobicContact CD1-CG2 4.27Å; L35-I52 HydrophobicContact CD2-CB 4.17Å; L35-I52 HydrophobicContact CD2-CD1 3.9Å; L35-I52 HydrophobicContact CD2-CG2 4.09Å; L35-I52 HydrophobicContact CG-CD1 3.87Å; L35-I52 HydrophobicContact CG-CG2 4.17Å; D48-I52 WeakPolarHBondContact O-CD1 3.49Å; D48-I52 WeakPolarHBondContact O-CG1 3.43Å; D48-I52 PolarHBondContact O-N 3.04Å; L49-I52 PolarHBondContact O-N 3.49Å; I50-I52 PolarHBondContact O-N 3.37Å; I50-I52 VanDerWaalsContact O-N 3.16Å; I52-G54 PolarHBondContact O-N 2.93Å; I52-H55 CarbonylContact O-C 3.26Å; I52-H55 PolarHBondContact O-N 3.38Å; I52-H55 VanDerWaalsContact O-N 3.1Å; I52-R56 HydrophobicContact CG2-CG 4.44Å; I52-R56 WeakPolarHBondContact O-CG 3.42Å; I52-R56 PolarHBondContact O-N 3.28Å; I52-L64 HydrophobicContact CG2-CD1 3.81Å
53M98Very high97.1Very high0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-69.4-33-169.5-63.2-56.2-68.600112.9L35 L49 H55 R61 L64 F80 M92 L95L35-M53 HydrophobicContact CD1-SD 4.37Å; L35-M53 HydrophobicContact CD2-CG 4.24Å; L35-M53 HydrophobicContact CD2-SD 4.44Å; L49-M53 WeakPolarHBondContact O-CB 3.39Å; L49-M53 WeakPolarHBondContact O-CG 3.5Å; L49-M53 PolarHBondContact O-N 3.46Å; M53-H55 VanDerWaalsContact C-N 3.26Å; M53-H55 PolarHBondContact O-N 3.2Å; M53-R61 HydrophobicContact CE-CB 4.29Å; M53-R61 HydrophobicContact CE-CG 3.98Å; M53-R61 WeakPolarHBondContact O-CD 3.45Å; M53-R61 HydrophobicContact SD-CG 4.43Å; M53-L64 HydrophobicContact SD-CD1 4.4Å; M53-F80 HydrophobicContact CE-CE2 4.18Å; M53-F80 HydrophobicContact CG-CE2 4.35Å; M53-F80 HydrophobicContact CG-CZ 4.02Å; M53-F80 HydrophobicContact SD-CE2 4.46Å; M53-F80 HydrophobicContact SD-CZ 4.34Å; M53-M92 HydrophobicContact CB-CE 4.21Å; M53-M92 HydrophobicContact CB-SD 3.63Å; M53-M92 HydrophobicContact CG-CE 4.48Å; M53-M92 HydrophobicContact CG-SD 3.81Å; M53-L95 HydrophobicContact CB-CD1 4.24Å; M53-L95 HydrophobicContact CE-CB 4.22Å
54G97.5Very high97.5Very high0 Ų032.1 Ų32.10%017%0.172CC..THydrogen-bonded Turntrans-77.1-6.9174.900000114.4L20 I50 I52L20-G54 WeakPolarHBondContact CD1-O 3.38Å; I50-G54 VanDerWaalsContact O-CA 3.29Å; I50-G54 WeakPolarHBondContact O-CA 3.49Å; I50-G54 PolarHBondContact O-N 3.47Å; I52-G54 PolarHBondContact O-N 2.93Å
55H96.8Very high97.7Very high55 Ų5532.4 Ų32.426%0.25517%0.173SC..THydrogen-bonded Turntrans-133.524.3-172.8-58.684.8000113.3I50 D51 I52 M53 N330I50-H55 PolarHBondContact O-ND1 2.96Å; D51-H55 WeakPolarHBondContact O-CB 3.34Å; D51-H55 PolarHBondContact O-ND1 3.47Å; I52-H55 CarbonylContact O-C 3.26Å; I52-H55 PolarHBondContact O-N 3.38Å; I52-H55 VanDerWaalsContact O-N 3.1Å; M53-H55 VanDerWaalsContact C-N 3.26Å; M53-H55 PolarHBondContact O-N 3.2Å; H55-N330 PolarHBondContact CD2-ND2 2.94Å
56R97.5Very high97.7Very high30 Ų3036.8 Ų36.811%0.11319%0.189CC..SBendtrans-126.6142.7172-67.7-61.7177.7-81-7.7108.4F26 D31 I52 Q60 R61 L64F26-R56 HydrophobicContact CE2-CG 4.47Å; D31-R56 VanDerWaalsContact CG-NH2 3.34Å; D31-R56 IonicContact OD1-CZ 2.75Å; D31-R56 IonicContact OD1-NH2 3.9Å; D31-R56 PolarHBondContact OD1-NH2 3.25Å; D31-R56 IonicContact OD2-CZ 3.68Å; D31-R56 VanDerWaalsContact OD2-CZ 3.29Å; D31-R56 IonicContact OD2-NE 2.72Å; D31-R56 PolarHBondContact OD2-NE 3.17Å; D31-R56 IonicContact OD2-NH2 3.8Å; D31-R56 PolarHBondContact OD2-NH2 3.35Å; I52-R56 HydrophobicContact CG2-CG 4.44Å; I52-R56 WeakPolarHBondContact O-CG 3.42Å; I52-R56 PolarHBondContact O-N 3.28Å; R56-Q60 HydrophobicContact CB-CB 3.91Å; R56-R61 HydrophobicContact CB-CG 3.86Å; R56-R61 PolarHBondContact O-NH1 3.25Å; R56-L64 HydrophobicContact CG-CD1 4.37Å
57S96.8Very high97.8Very high6 Ų636.6 Ų36.64%0.04219%0.187CC..  trans-68.2166.117564.80000112.3D59 Q60 R61 E289S57-D59 VanDerWaalsContact C-N 3.25Å; S57-D59 PolarHBondContact O-N 3.1Å; S57-Q60 VanDerWaalsContact N-OE1 3.12Å; S57-Q60 WeakPolarHBondContact O-CB 3.47Å; S57-Q60 PolarHBondContact O-N 3.15Å; S57-Q60 WeakPolarHBondContact OG-CG 3.28Å; S57-Q60 PolarHBondContact OG-N 2.82Å; S57-R61 WeakPolarHBondContact O-CG 3.49Å; S57-R61 PolarHBondContact O-N 2.86Å; S57-E289 WeakPolarHBondContact CB-OE2 3.47Å
58A96.8Very high97.8Very high13 Ų1332 Ų3211%0.10717%0.165CC..Hα-helixtrans-54.9-41.5177.800000112.2R61 A62 E289A58-R61 PolarHBondContact O-N 3.38Å; A58-A62 WeakPolarHBondContact O-CB 3.28Å; A58-A62 PolarHBondContact O-N 3.34Å; A58-E289 PolarHBondContact N-OE1 3.02Å; A58-E289 PolarHBondContact N-OE2 3.16Å
59D96.9Very high97.9Very high91 Ų9135.7 Ų35.749%0.48718%0.179SC..Hα-helixtrans-64.1-42.4176.4-72.2-18000112.1F7 S57 A62 V63F7-D59 VanDerWaalsContact CE2-OD2 3.23Å; F7-D59 WeakPolarHBondContact CE2-OD2 3.47Å; F7-D59 WeakPolarHBondContact CZ-OD2 3.44Å; S57-D59 VanDerWaalsContact C-N 3.25Å; S57-D59 PolarHBondContact O-N 3.1Å; D59-A62 PolarHBondContact O-N 2.93Å; D59-V63 WeakPolarHBondContact O-CG2 3.46Å; D59-V63 PolarHBondContact O-N 3.39Å
60Q98.4Very high97.8Very high20 Ų2040.2 Ų40.29%0.09321%0.211CC..Hα-helixtrans-65-44.4176.7-70.5177.2-25.800110.6A23 F26 R56 S57 A62 V63 L64A23-Q60 PolarHBondContact O-NE2 3.16Å; F26-Q60 VanDerWaalsContact CB-NE2 3.35Å; F26-Q60 HydrophobicContact CD1-CB 4.23Å; F26-Q60 HydrophobicContact CD1-CG 3.69Å; F26-Q60 HydrophobicContact CD2-CB 4.23Å; F26-Q60 HydrophobicContact CD2-CG 4.23Å; F26-Q60 HydrophobicContact CE1-CB 3.85Å; F26-Q60 HydrophobicContact CE1-CG 3.75Å; F26-Q60 HydrophobicContact CE2-CB 3.87Å; F26-Q60 HydrophobicContact CE2-CG 4.29Å; F26-Q60 HydrophobicContact CG-CB 4.4Å; F26-Q60 HydrophobicContact CG-CG 3.92Å; F26-Q60 HydrophobicContact CZ-CB 3.67Å; F26-Q60 HydrophobicContact CZ-CG 4.07Å; F26-Q60 WeakPolarHBondContact CZ-O 3.43Å; R56-Q60 HydrophobicContact CB-CB 3.91Å; S57-Q60 VanDerWaalsContact N-OE1 3.12Å; S57-Q60 WeakPolarHBondContact O-CB 3.47Å; S57-Q60 PolarHBondContact O-N 3.15Å; S57-Q60 WeakPolarHBondContact OG-CG 3.28Å; S57-Q60 PolarHBondContact OG-N 2.82Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.48Å; Q60-V63 WeakPolarHBondContact O-CB 3.43Å; Q60-V63 PolarHBondContact O-N 3.22Å; Q60-V63 VanDerWaalsContact O-N 3.11Å; Q60-L64 WeakPolarHBondContact O-CG 3.42Å; Q60-L64 PolarHBondContact O-N 3.35Å
61R98.6Very high97.8Very high6 Ų643.4 Ų43.42%0.02323%0.228CC..Hα-helixtrans-61.7-39.3175.4-65.5-173.5-53-102.91.2111.9M53 R56 S57 A58 V63 L64 V65 L95 E289M53-R61 HydrophobicContact CE-CB 4.29Å; M53-R61 HydrophobicContact CE-CG 3.98Å; M53-R61 WeakPolarHBondContact O-CD 3.45Å; M53-R61 HydrophobicContact SD-CG 4.43Å; R56-R61 HydrophobicContact CB-CG 3.86Å; R56-R61 PolarHBondContact O-NH1 3.25Å; S57-R61 WeakPolarHBondContact O-CG 3.49Å; S57-R61 PolarHBondContact O-N 2.86Å; A58-R61 PolarHBondContact O-N 3.38Å; R61-V63 VanDerWaalsContact C-N 3.31Å; R61-V63 PolarHBondContact O-N 3.47Å; R61-L64 WeakPolarHBondContact O-CB 3.13Å; R61-L64 PolarHBondContact O-N 2.88Å; R61-L64 VanDerWaalsContact O-N 3.11Å; R61-V65 WeakPolarHBondContact O-CG2 3.41Å; R61-V65 PolarHBondContact O-N 2.93Å; R61-L95 VanDerWaalsContact CD-O 3.32Å; R61-L95 WeakPolarHBondContact CD-O 3.44Å; R61-L95 PolarHBondContact NE-O 3.27Å; R61-E289 IonicContact CZ-OE1 3.65Å; R61-E289 IonicContact NH1-OE1 3.29Å; R61-E289 PolarHBondContact NH1-OE1 3.49Å; R61-E289 IonicContact NH2-OE1 3.71Å; R61-E289 PolarHBondContact NH2-OE1 3.02Å
62A97.9Very high97.9Very high33 Ų3343.2 Ų43.227%0.27323%0.225SC..Hα-helixtrans-63.1-35.917400000112.5A58 D59 Q60 K66A58-A62 WeakPolarHBondContact O-CB 3.28Å; A58-A62 PolarHBondContact O-N 3.34Å; D59-A62 PolarHBondContact O-N 2.93Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.48Å; A62-K66 PolarHBondContact O-N 3.43Å
63V98.4Very high97.9Very high65 Ų6546.5 Ų46.539%0.39426%0.258SS..Hα-helixtrans-64.7-44.8170.7172.60000110.7F26 P28 D59 Q60 R61 V65 K66 K67F26-V63 HydrophobicContact CE1-CB 4.17Å; F26-V63 HydrophobicContact CE1-CG1 4.1Å; F26-V63 HydrophobicContact CZ-CB 4.2Å; F26-V63 HydrophobicContact CZ-CG1 4.21Å; P28-V63 HydrophobicContact CB-CG1 3.97Å; P28-V63 HydrophobicContact CG-CG1 3.87Å; D59-V63 WeakPolarHBondContact O-CG2 3.46Å; D59-V63 PolarHBondContact O-N 3.39Å; Q60-V63 WeakPolarHBondContact O-CB 3.43Å; Q60-V63 PolarHBondContact O-N 3.22Å; Q60-V63 VanDerWaalsContact O-N 3.11Å; R61-V63 VanDerWaalsContact C-N 3.31Å; R61-V63 PolarHBondContact O-N 3.47Å; V63-V65 PolarHBondContact O-N 3.34Å; V63-K66 PolarHBondContact O-N 3.38Å; V63-K67 WeakPolarHBondContact O-CB 3.5Å; V63-K67 PolarHBondContact O-N 2.88Å
64L98.7Very high97.8Very high0 Ų051.7 Ų51.70%028%0.281CS..Hα-helixtrans-59.7-46.4178.1-64.7-178.1000112.2F26 P28 D31 L35 I52 M53 R56 Q60 R61 K66 K67 F68F26-L64 HydrophobicContact CE2-CD1 4.31Å; F26-L64 HydrophobicContact CE2-CD2 3.73Å; F26-L64 HydrophobicContact CE2-CG 3.98Å; F26-L64 HydrophobicContact CZ-CD2 3.85Å; F26-L64 HydrophobicContact CZ-CG 4.01Å; P28-L64 HydrophobicContact CB-CD2 4.22Å; D31-L64 HydrophobicContact CB-CD1 4.18Å; D31-L64 HydrophobicContact CB-CD2 3.57Å; L35-L64 HydrophobicContact CD1-CD1 4.33Å; I52-L64 HydrophobicContact CG2-CD1 3.81Å; M53-L64 HydrophobicContact SD-CD1 4.4Å; R56-L64 HydrophobicContact CG-CD1 4.37Å; Q60-L64 WeakPolarHBondContact O-CG 3.42Å; Q60-L64 PolarHBondContact O-N 3.35Å; R61-L64 WeakPolarHBondContact O-CB 3.13Å; R61-L64 PolarHBondContact O-N 2.88Å; R61-L64 VanDerWaalsContact O-N 3.11Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 3.45Å; L64-K67 PolarHBondContact O-N 2.85Å; L64-F68 VanDerWaalsContact O-CB 3.25Å; L64-F68 WeakPolarHBondContact O-CB 3.47Å; L64-F68 PolarHBondContact O-N 3.1Å
65V98.5Very high97.8Very high29 Ų2954.3 Ų54.318%0.17629%0.294CS..Hα-helixtrans-55.6-47.3177.91710000111.2R61 V63 L76 C96R61-V65 WeakPolarHBondContact O-CG2 3.41Å; R61-V65 PolarHBondContact O-N 2.93Å; V63-V65 PolarHBondContact O-N 3.34Å; V65-L76 HydrophobicContact CG2-CD2 3.99Å; V65-C96 HydrophobicContact CG2-CB 3.82Å
66K98.3Very high97.9Very high162 Ų16251.7 Ų51.770%0.70428%0.282SS*.Hα-helixtrans-67.5-43.1177.9-70174-177.2172.40112A62 V63 L64 K69 S70A62-K66 PolarHBondContact O-N 3.43Å; V63-K66 PolarHBondContact O-N 3.38Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 3.45Å; K66-K69 PolarHBondContact O-N 3.02Å; K66-S70 PolarHBondContact O-N 2.72Å; K66-S70 VanDerWaalsContact O-N 3.16Å
67K98.5Very high97.9Very high55 Ų5551 Ų5124%0.23928%0.281CS..Hα-helixtrans-69.7-40.7-175.8-172.464.5169.2-166.10112.1P28 E29 V63 L64 K69 S70 L71P28-K67 HydrophobicContact CB-CG 4.2Å; E29-K67 WeakPolarHBondContact OE1-CE 3.29Å; E29-K67 IonicContact OE1-NZ 3.88Å; E29-K67 PolarHBondContact OE1-NZ 3.22Å; V63-K67 WeakPolarHBondContact O-CB 3.5Å; V63-K67 PolarHBondContact O-N 2.88Å; L64-K67 PolarHBondContact O-N 2.85Å; K67-K69 VanDerWaalsContact C-N 3.28Å; K67-K69 PolarHBondContact O-N 2.89Å; K67-S70 WeakPolarHBondContact O-CB 3.44Å; K67-S70 PolarHBondContact O-N 2.97Å; K67-L71 HydrophobicContact CD-CD1 4.35Å; K67-L71 HydrophobicContact CD-CG 4.24Å; K67-L71 HydrophobicContact CG-CD1 3.92Å; K67-L71 HydrophobicContact CG-CG 4.23Å; K67-L71 WeakPolarHBondContact O-CG 3.34Å; K67-L71 PolarHBondContact O-N 3.33Å
68F98.6Very high97.9Very high0 Ų055.7 Ų55.70%030%0.302CS..Hα-helixtrans-57.1-43.3176.6-168.6-92.1000111.2C32 L35 R36 M39 L64 L71 F72 K74 L76 N79C32-F68 HydrophobicContact CB-CD2 4.2Å; L35-F68 HydrophobicContact CB-CD2 4.46Å; L35-F68 HydrophobicContact CB-CE2 4.18Å; R36-F68 HydrophobicContact CB-CE2 3.9Å; R36-F68 HydrophobicContact CB-CZ 4.33Å; M39-F68 HydrophobicContact CE-CE2 4.01Å; M39-F68 HydrophobicContact CE-CZ 3.67Å; L64-F68 VanDerWaalsContact O-CB 3.25Å; L64-F68 WeakPolarHBondContact O-CB 3.47Å; L64-F68 PolarHBondContact O-N 3.1Å; F68-L71 PolarHBondContact O-N 3.26Å; F68-F72 HydrophobicContact CD1-CD2 4.36Å; F68-F72 AromaticContact CD2-CD2 3.7Å; F68-F72 HydrophobicContact CD2-CD2 3.7Å; F68-F72 AromaticContact CD2-CE2 3.82Å; F68-F72 HydrophobicContact CD2-CE2 3.82Å; F68-F72 HydrophobicContact CE1-CD2 4.37Å; F68-F72 AromaticContact CE2-CD2 3.71Å; F68-F72 HydrophobicContact CE2-CD2 3.71Å; F68-F72 AromaticContact CE2-CE2 3.89Å; F68-F72 HydrophobicContact CE2-CE2 3.89Å; F68-F72 HydrophobicContact CG-CD2 4.03Å; F68-F72 HydrophobicContact CZ-CD2 4.05Å; F68-F72 PolarHBondContact O-N 3.34Å; F68-K74 HydrophobicContact CD1-CB 4.39Å; F68-K74 WeakPolarHBondContact CD1-O 3.39Å; F68-K74 HydrophobicContact CE1-CB 3.86Å; F68-L76 HydrophobicContact CB-CB 4.24Å; F68-L76 HydrophobicContact CD1-CB 3.89Å; F68-L76 HydrophobicContact CD1-CD1 4.08Å; F68-L76 HydrophobicContact CD2-CD1 4Å; F68-L76 HydrophobicContact CE1-CD1 4.16Å; F68-L76 HydrophobicContact CE2-CD1 4.08Å; F68-L76 HydrophobicContact CG-CB 4.13Å; F68-L76 HydrophobicContact CG-CD1 4.01Å; F68-L76 HydrophobicContact CZ-CD1 4.16Å; F68-N79 HydrophobicContact CE1-CB 4.47Å
69K98.3Very high97.9Very high120 Ų12056.4 Ų56.452%0.52230%0.304SS..Hα-helixtrans-63.6-41.5173.7-169.6166.4-173164.10113K66 K67 G73 K74K66-K69 PolarHBondContact O-N 3.02Å; K67-K69 VanDerWaalsContact C-N 3.28Å; K67-K69 PolarHBondContact O-N 2.89Å; K69-G73 VanDerWaalsContact O-CA 3.22Å; K69-G73 WeakPolarHBondContact O-CA 3.45Å; K69-G73 PolarHBondContact O-N 3.01Å; K69-K74 WeakPolarHBondContact CA-O 3.47Å; K69-K74 PolarHBondContact N-O 2.62Å
70S98.2Very high98Very high96 Ų9652.1 Ų52.167%0.67128%0.281SS*.Hα-helixtrans-66.8-37.3177-178.60000113.5K66 K67K66-S70 PolarHBondContact O-N 2.72Å; K66-S70 VanDerWaalsContact O-N 3.16Å; K67-S70 WeakPolarHBondContact O-CB 3.44Å; K67-S70 PolarHBondContact O-N 2.97Å
71L98.1Very high97.9Very high70 Ų7056.5 Ų56.537%0.36630%0.3SS..Hα-helixtrans-80.7-38.2-175.9-71.7176.3000112.3E29 C32 K67 F68E29-L71 HydrophobicContact CG-CD1 4.48Å; C32-L71 HydrophobicContact CB-CD1 3.85Å; K67-L71 HydrophobicContact CD-CD1 4.35Å; K67-L71 HydrophobicContact CD-CG 4.24Å; K67-L71 HydrophobicContact CG-CD1 3.92Å; K67-L71 HydrophobicContact CG-CG 4.23Å; K67-L71 WeakPolarHBondContact O-CG 3.34Å; K67-L71 PolarHBondContact O-N 3.33Å; F68-L71 PolarHBondContact O-N 3.26Å
72F97.5Very high97.8Very high57 Ų5760.1 Ų60.125%0.2533%0.326CS..Hα-helixtrans-120-4.8-168.9-50.5-54.1000114.3C32 E33 R36 F68 K74C32-F72 HydrophobicContact CB-CE2 4Å; C32-F72 WeakPolarHBondContact O-CE2 3.28Å; E33-F72 HydrophobicContact CG-CZ 4.15Å; R36-F72 HydrophobicContact CB-CD2 4.29Å; R36-F72 HydrophobicContact CB-CE2 3.86Å; R36-F72 HydrophobicContact CB-CZ 4.14Å; R36-F72 VanDerWaalsContact CD-CE1 3.49Å; R36-F72 HydrophobicContact CG-CD2 4.42Å; R36-F72 HydrophobicContact CG-CE2 4.35Å; R36-F72 HydrophobicContact CG-CZ 4.49Å; F68-F72 HydrophobicContact CD1-CD2 4.36Å; F68-F72 AromaticContact CD2-CD2 3.7Å; F68-F72 HydrophobicContact CD2-CD2 3.7Å; F68-F72 AromaticContact CD2-CE2 3.82Å; F68-F72 HydrophobicContact CD2-CE2 3.82Å; F68-F72 HydrophobicContact CE1-CD2 4.37Å; F68-F72 AromaticContact CE2-CD2 3.71Å; F68-F72 HydrophobicContact CE2-CD2 3.71Å; F68-F72 AromaticContact CE2-CE2 3.89Å; F68-F72 HydrophobicContact CE2-CE2 3.89Å; F68-F72 HydrophobicContact CG-CD2 4.03Å; F68-F72 HydrophobicContact CZ-CD2 4.05Å; F68-F72 PolarHBondContact O-N 3.34Å; F72-K74 HydrophobicContact CB-CB 4.45Å; F72-K74 PolarHBondContact O-N 3.26Å
73G97.3Very high97.7Very high68 Ų6861.9 Ų61.970%0.70133%0.329SS*.SBendtrans67.515.5-17600000113.8K69K69-G73 VanDerWaalsContact O-CA 3.22Å; K69-G73 WeakPolarHBondContact O-CA 3.45Å; K69-G73 PolarHBondContact O-N 3.01Å
74K97Very high97.7Very high110 Ų11059.5 Ų59.548%0.47831%0.314SS..  trans-116.7143.8-174.2-71.2-171.9177.9-168.40111.2F68 K69 F72 N79F68-K74 HydrophobicContact CD1-CB 4.39Å; F68-K74 WeakPolarHBondContact CD1-O 3.39Å; F68-K74 HydrophobicContact CE1-CB 3.86Å; K69-K74 WeakPolarHBondContact CA-O 3.47Å; K69-K74 PolarHBondContact N-O 2.62Å; F72-K74 HydrophobicContact CB-CB 4.45Å; F72-K74 PolarHBondContact O-N 3.26Å; K74-N79 WeakPolarHBondContact CD-OD1 3.23Å
75D97.6Very high97.6Very high54 Ų5464.2 Ų64.229%0.28935%0.347SS..  trans-83125.8174.8-171-78.7000110.6I77 E78 N79D75-I77 PolarHBondContact O-N 2.81Å; D75-I77 PolarHBondContact OD1-N 3.15Å; D75-E78 HydrophobicContact CB-CB 4.09Å; D75-E78 HydrophobicContact CB-CG 4.13Å; D75-E78 PolarHBondContact O-N 3.19Å; D75-E78 PolarHBondContact OD1-N 3.27Å; D75-E78 VanDerWaalsContact OD1-N 3.13Å; D75-N79 PolarHBondContact O-N 3.12Å; D75-N79 PolarHBondContact O-ND2 2.77Å
76L98.2Very high97.6Very high0 Ų065.1 Ų65.10%036%0.362CS..Hα-helixtrans-64.7-40.4-174.4-17858.1000112.2L35 M39 V65 F68 N79 F80L35-L76 HydrophobicContact CD1-CD1 4.23Å; L35-L76 HydrophobicContact CD1-CD2 4.09Å; M39-L76 HydrophobicContact CE-CD1 3.94Å; V65-L76 HydrophobicContact CG2-CD2 3.99Å; F68-L76 HydrophobicContact CB-CB 4.24Å; F68-L76 HydrophobicContact CD1-CB 3.89Å; F68-L76 HydrophobicContact CD1-CD1 4.08Å; F68-L76 HydrophobicContact CD2-CD1 4Å; F68-L76 HydrophobicContact CE1-CD1 4.16Å; F68-L76 HydrophobicContact CE2-CD1 4.08Å; F68-L76 HydrophobicContact CG-CB 4.13Å; F68-L76 HydrophobicContact CG-CD1 4.01Å; F68-L76 HydrophobicContact CZ-CD1 4.16Å; L76-N79 PolarHBondContact O-N 3.13Å; L76-F80 HydrophobicContact CD1-CD2 4.45Å; L76-F80 HydrophobicContact CD1-CE1 4Å; L76-F80 HydrophobicContact CD1-CE2 3.96Å; L76-F80 HydrophobicContact CD1-CZ 3.71Å; L76-F80 HydrophobicContact CD2-CE2 4.18Å; L76-F80 HydrophobicContact CD2-CZ 4.39Å; L76-F80 HydrophobicContact CG-CD2 4.24Å; L76-F80 HydrophobicContact CG-CE2 3.8Å; L76-F80 HydrophobicContact CG-CZ 4.06Å; L76-F80 PolarHBondContact O-N 3.18Å
77I97.5Very high97.6Very high17 Ų1760.8 Ų60.89%0.08734%0.344CS..Hα-helixtrans-68.8-41.7-179.2-62.7174.2000110.1D75 N79 F80 K81 E93 C96 L97D75-I77 PolarHBondContact O-N 2.81Å; D75-I77 PolarHBondContact OD1-N 3.15Å; I77-N79 VanDerWaalsContact C-N 3.31Å; I77-N79 PolarHBondContact O-N 3.48Å; I77-F80 PolarHBondContact O-N 3.38Å; I77-K81 WeakPolarHBondContact O-CB 3.46Å; I77-K81 PolarHBondContact O-N 3.41Å; I77-E93 HydrophobicContact CG2-CG 3.98Å; I77-C96 HydrophobicContact CD1-CB 3.72Å; I77-C96 HydrophobicContact CG1-CB 3.53Å; I77-L97 HydrophobicContact CD1-CD2 4.07Å
78E97.4Very high97.6Very high104 Ų10458.9 Ų58.949%0.48634%0.336SS..Hα-helixtrans-67.6-30.2175.5-65.4-61.4132.500112.6D75 K81 S82D75-E78 HydrophobicContact CB-CB 4.09Å; D75-E78 HydrophobicContact CB-CG 4.13Å; D75-E78 PolarHBondContact O-N 3.19Å; D75-E78 PolarHBondContact OD1-N 3.27Å; D75-E78 VanDerWaalsContact OD1-N 3.13Å; E78-K81 WeakPolarHBondContact O-CB 3.22Å; E78-K81 PolarHBondContact O-N 3.15Å; E78-S82 PolarHBondContact O-N 3.09Å; E78-S82 VanDerWaalsContact O-N 3.12Å
79N97.1Very high97.6Very high28 Ų2860.1 Ų60.115%0.1534%0.341CS..Hα-helixtrans-69.9-44.7172.6-81.7-119.2000110.7M39 F68 K74 D75 L76 I77 K81 S82 E83M39-N79 HydrophobicContact CE-CB 4Å; M39-N79 HydrophobicContact SD-CB 3.91Å; F68-N79 HydrophobicContact CE1-CB 4.47Å; K74-N79 WeakPolarHBondContact CD-OD1 3.23Å; D75-N79 PolarHBondContact O-N 3.12Å; D75-N79 PolarHBondContact O-ND2 2.77Å; L76-N79 PolarHBondContact O-N 3.13Å; I77-N79 VanDerWaalsContact C-N 3.31Å; I77-N79 PolarHBondContact O-N 3.48Å; N79-K81 PolarHBondContact O-N 3.37Å; N79-S82 PolarHBondContact O-N 3.04Å; N79-S82 VanDerWaalsContact O-N 3.13Å; N79-S82 PolarHBondContact O-OG 3.22Å; N79-E83 WeakPolarHBondContact O-CG 3.41Å; N79-E83 PolarHBondContact O-N 2.81Å; N79-E83 VanDerWaalsContact O-N 3.16Å
80F98.1Very high97.6Very high0 Ų056.3 Ų56.30%033%0.326CS..Hα-helixtrans-58-35.7171.4-71.2-28.7000112.4L35 M39 L49 M53 L76 I77 S82 E83 L84 Y89 M92 C96L35-F80 HydrophobicContact CD2-CE1 4.36Å; L35-F80 HydrophobicContact CD2-CZ 4.05Å; M39-F80 HydrophobicContact CE-CD1 4.37Å; M39-F80 HydrophobicContact CE-CE1 4.14Å; M39-F80 HydrophobicContact SD-CD1 3.5Å; M39-F80 WeakPolarHBondContact SD-CD1 3.42Å; M39-F80 HydrophobicContact SD-CE1 3.73Å; L49-F80 HydrophobicContact CD1-CD1 4.3Å; L49-F80 HydrophobicContact CD1-CE1 4.02Å; L49-F80 HydrophobicContact CD2-CE1 3.93Å; M53-F80 HydrophobicContact CE-CE2 4.18Å; M53-F80 HydrophobicContact CG-CE2 4.35Å; M53-F80 HydrophobicContact CG-CZ 4.02Å; M53-F80 HydrophobicContact SD-CE2 4.46Å; M53-F80 HydrophobicContact SD-CZ 4.34Å; L76-F80 HydrophobicContact CD1-CD2 4.45Å; L76-F80 HydrophobicContact CD1-CE1 4Å; L76-F80 HydrophobicContact CD1-CE2 3.96Å; L76-F80 HydrophobicContact CD1-CZ 3.71Å; L76-F80 HydrophobicContact CD2-CE2 4.18Å; L76-F80 HydrophobicContact CD2-CZ 4.39Å; L76-F80 HydrophobicContact CG-CD2 4.24Å; L76-F80 HydrophobicContact CG-CE2 3.8Å; L76-F80 HydrophobicContact CG-CZ 4.06Å; L76-F80 PolarHBondContact O-N 3.18Å; I77-F80 PolarHBondContact O-N 3.38Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.13Å; F80-E83 PolarHBondContact O-N 2.69Å; F80-L84 HydrophobicContact CB-CD1 4.08Å; F80-L84 HydrophobicContact CD1-CD1 4.02Å; F80-L84 HydrophobicContact CG-CD1 4.2Å; F80-L84 WeakPolarHBondContact O-CA 3.02Å; F80-L84 WeakPolarHBondContact O-CB 3.26Å; F80-L84 WeakPolarHBondContact O-CG 3.49Å; F80-L84 PolarHBondContact O-N 2.92Å; F80-Y89 HydrophobicContact CB-CD2 4.11Å; F80-Y89 HydrophobicContact CB-CE2 4.06Å; F80-Y89 WeakPolarHBondContact O-CD2 3.13Å; F80-M92 HydrophobicContact CD2-CB 4.12Å; F80-M92 HydrophobicContact CE2-CB 4.46Å; F80-M92 HydrophobicContact CG-CB 4.48Å; F80-C96 VanDerWaalsContact CE2-SG 3.6Å
81K97.1Very high97.6Very high112 Ų11251.7 Ų51.749%0.48729%0.294SS..Hα-helixtrans-68.6-30.5178.2-167.4177.8174-177.20113.8I77 E78 N79 Y89I77-K81 WeakPolarHBondContact O-CB 3.46Å; I77-K81 PolarHBondContact O-N 3.41Å; E78-K81 WeakPolarHBondContact O-CB 3.22Å; E78-K81 PolarHBondContact O-N 3.15Å; N79-K81 PolarHBondContact O-N 3.37Å; K81-Y89 HydrophobicContact CB-CD2 4.39Å; K81-Y89 HydrophobicContact CB-CE1 4.49Å; K81-Y89 HydrophobicContact CB-CE2 3.53Å; K81-Y89 WeakPolarHBondContact CB-OH 3.39Å; K81-Y89 WeakPolarHBondContact CD-OH 3.48Å; K81-Y89 HydrophobicContact CG-CE1 4.14Å; K81-Y89 HydrophobicContact CG-CE2 4.08Å; K81-Y89 WeakPolarHBondContact CG-OH 3.41Å; K81-Y89 VanDerWaalsContact N-CE2 3.3Å
82S96Very high97.6Very high83 Ų8348.4 Ų48.458%0.5828%0.276SS*.Hα-helixtrans-78.3-30177660000112.7E78 N79 F80E78-S82 PolarHBondContact O-N 3.09Å; E78-S82 VanDerWaalsContact O-N 3.12Å; N79-S82 PolarHBondContact O-N 3.04Å; N79-S82 VanDerWaalsContact O-N 3.13Å; N79-S82 PolarHBondContact O-OG 3.22Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.13Å
83E96.5Very high97.7Very high70 Ų7046.6 Ų46.633%0.32727%0.269SS..Hα-helixtrans-95.6-34.4-174.9-62.8-48.1123.400113.6M39 T44 N79 F80M39-E83 HydrophobicContact CB-CG 3.9Å; M39-E83 HydrophobicContact CG-CB 4.48Å; M39-E83 HydrophobicContact CG-CG 3.93Å; M39-E83 HydrophobicContact SD-CG 4.14Å; T44-E83 HydrophobicContact CG2-CB 4.49Å; T44-E83 PolarHBondContact OG1-OE2 3.04Å; N79-E83 WeakPolarHBondContact O-CG 3.41Å; N79-E83 PolarHBondContact O-N 2.81Å; N79-E83 VanDerWaalsContact O-N 3.16Å; F80-E83 PolarHBondContact O-N 2.69Å
84L97.3Very high97.8Very high14 Ų1443.4 Ų43.47%0.07324%0.236CC..  trans-111.1160.2-170-48.3-178.6000111.4T44 L49 F80 F88 Y89 M92T44-L84 HydrophobicContact CG2-CD2 3.89Å; L49-L84 HydrophobicContact CD1-CD1 4.03Å; L49-L84 HydrophobicContact CD1-CD2 3.96Å; L49-L84 HydrophobicContact CD1-CG 4.45Å; F80-L84 HydrophobicContact CB-CD1 4.08Å; F80-L84 HydrophobicContact CD1-CD1 4.02Å; F80-L84 HydrophobicContact CG-CD1 4.2Å; F80-L84 WeakPolarHBondContact O-CA 3.02Å; F80-L84 WeakPolarHBondContact O-CB 3.26Å; F80-L84 WeakPolarHBondContact O-CG 3.49Å; F80-L84 PolarHBondContact O-N 2.92Å; L84-F88 HydrophobicContact CB-CD1 4.33Å; L84-F88 HydrophobicContact CD1-CD1 4Å; L84-F88 HydrophobicContact CD1-CE1 3.8Å; L84-F88 HydrophobicContact CD2-CD1 3.92Å; L84-F88 HydrophobicContact CD2-CE1 3.63Å; L84-F88 HydrophobicContact CG-CD1 4.31Å; L84-F88 HydrophobicContact CG-CE1 4.25Å; L84-Y89 HydrophobicContact CB-CD2 4.27Å; L84-Y89 HydrophobicContact CB-CG 4.49Å; L84-M92 HydrophobicContact CD1-CB 4.1Å; L84-M92 HydrophobicContact CD1-CG 3.76Å
85S96.7Very high97.8Very high100 Ų10038.2 Ų38.270%0.69921%0.213SC*.  trans-144.5171.2176.166.90000112.5Y89S85-Y89 PolarHBondContact O-N 3.29Å
86G97.9Very high97.9Very high47 Ų4736 Ų3649%0.48520%0.202SC..Hα-helixtrans58.1-151.3177.400000113.7F88 Y89 D90G86-F88 PolarHBondContact O-N 3.47Å; G86-Y89 PolarHBondContact O-N 2.96Å; G86-Y89 VanDerWaalsContact O-N 3.15Å; G86-D90 PolarHBondContact O-N 3.26Å
87H98.4Very high97.9Very high71 Ų7136.5 Ų36.533%0.32921%0.205SC..Hα-helixtrans-69.3-19.7-175.4-61-39.8000114D90 T91 D277 I281 Y319H87-D90 IonicContact CE1-OD2 2.76Å; H87-D90 IonicContact ND1-OD2 2.69Å; H87-D90 PolarHBondContact ND1-OD2 2.92Å; H87-D90 VanDerWaalsContact ND1-OD2 3.09Å; H87-T91 WeakPolarHBondContact O-CB 3.49Å; H87-T91 PolarHBondContact O-N 3.35Å; H87-T91 PolarHBondContact O-OG1 2.93Å; H87-D277 IonicContact CD2-OD1 3.8Å; H87-D277 IonicContact CD2-OD2 3.18Å; H87-D277 IonicContact NE2-OD2 3.65Å; H87-D277 PolarHBondContact NE2-OD2 3.11Å; H87-I281 HydrophobicContact CB-CD1 4.18Å; H87-Y319 HydrophobicContact CB-CD1 3.77Å; H87-Y319 HydrophobicContact CB-CD2 3.77Å; H87-Y319 HydrophobicContact CB-CE1 3.86Å; H87-Y319 HydrophobicContact CB-CE2 3.86Å; H87-Y319 HydrophobicContact CB-CG 3.71Å; H87-Y319 WeakPolarHBondContact O-CD2 3.45Å
88F98.6Very high97.9Very high16 Ų1637.4 Ų37.47%0.0721%0.212CC..Hα-helixtrans-66.3-47.9170.4-175.3-127.9000111E46 I50 L84 G86 T91 M92 D318 L322E46-F88 HydrophobicContact CB-CE1 3.86Å; E46-F88 HydrophobicContact CB-CZ 3.89Å; E46-F88 HydrophobicContact CG-CD1 4.32Å; E46-F88 HydrophobicContact CG-CE1 3.53Å; E46-F88 HydrophobicContact CG-CZ 4.11Å; I50-F88 HydrophobicContact CD1-CE2 3.99Å; I50-F88 HydrophobicContact CD1-CZ 4.21Å; I50-F88 HydrophobicContact CG1-CE2 3.81Å; I50-F88 HydrophobicContact CG1-CZ 4.03Å; L84-F88 HydrophobicContact CB-CD1 4.33Å; L84-F88 HydrophobicContact CD1-CD1 4Å; L84-F88 HydrophobicContact CD1-CE1 3.8Å; L84-F88 HydrophobicContact CD2-CD1 3.92Å; L84-F88 HydrophobicContact CD2-CE1 3.63Å; L84-F88 HydrophobicContact CG-CD1 4.31Å; L84-F88 HydrophobicContact CG-CE1 4.25Å; G86-F88 PolarHBondContact O-N 3.47Å; F88-T91 PolarHBondContact O-N 2.82Å; F88-M92 HydrophobicContact CE1-CE 4.41Å; F88-M92 HydrophobicContact CE2-CE 3.55Å; F88-M92 HydrophobicContact CE2-CG 4.28Å; F88-M92 HydrophobicContact CZ-CE 3.43Å; F88-M92 VanDerWaalsContact CZ-CE 3.43Å; F88-M92 HydrophobicContact CZ-CG 4.37Å; F88-M92 WeakPolarHBondContact O-CG 3.44Å; F88-M92 PolarHBondContact O-N 2.83Å; F88-D318 HydrophobicContact CD1-CB 3.99Å; F88-D318 VanDerWaalsContact CD2-C 3.48Å; F88-D318 HydrophobicContact CD2-CB 3.76Å; F88-D318 WeakPolarHBondContact CD2-O 3.28Å; F88-D318 HydrophobicContact CE1-CB 3.96Å; F88-D318 HydrophobicContact CE2-CB 3.72Å; F88-D318 HydrophobicContact CG-CB 3.89Å; F88-D318 HydrophobicContact CZ-CB 3.82Å; F88-L322 HydrophobicContact CD2-CB 4.27Å; F88-L322 HydrophobicContact CD2-CD2 4.02Å; F88-L322 HydrophobicContact CE2-CB 4.04Å; F88-L322 HydrophobicContact CE2-CD2 3.88Å
89Y98.5Very high97.9Very high26 Ų2636.4 Ų36.410%0.10222%0.215CC..Hα-helixtrans-61-46.5172.3171.7-109.9000111.9F80 K81 L84 S85 G86 T91 M92 E93F80-Y89 HydrophobicContact CB-CD2 4.11Å; F80-Y89 HydrophobicContact CB-CE2 4.06Å; F80-Y89 WeakPolarHBondContact O-CD2 3.13Å; K81-Y89 HydrophobicContact CB-CD2 4.39Å; K81-Y89 HydrophobicContact CB-CE1 4.49Å; K81-Y89 HydrophobicContact CB-CE2 3.53Å; K81-Y89 WeakPolarHBondContact CB-OH 3.39Å; K81-Y89 WeakPolarHBondContact CD-OH 3.48Å; K81-Y89 HydrophobicContact CG-CE1 4.14Å; K81-Y89 HydrophobicContact CG-CE2 4.08Å; K81-Y89 WeakPolarHBondContact CG-OH 3.41Å; K81-Y89 VanDerWaalsContact N-CE2 3.3Å; L84-Y89 HydrophobicContact CB-CD2 4.27Å; L84-Y89 HydrophobicContact CB-CG 4.49Å; S85-Y89 PolarHBondContact O-N 3.29Å; G86-Y89 PolarHBondContact O-N 2.96Å; G86-Y89 VanDerWaalsContact O-N 3.15Å; Y89-T91 PolarHBondContact O-N 2.78Å; Y89-M92 PolarHBondContact O-N 3.43Å; Y89-M92 VanDerWaalsContact O-N 3.13Å; Y89-E93 HydrophobicContact CE2-CB 4.33Å; Y89-E93 WeakPolarHBondContact O-CB 3.49Å; Y89-E93 PolarHBondContact O-N 3.48Å
90D98.5Very high97.9Very high39 Ų3936 Ų3621%0.20922%0.215CC..Hα-helixtrans-56.4-39.1-179.4-66.1-28000111.5G86 H87 A94 I281G86-D90 PolarHBondContact O-N 3.26Å; H87-D90 IonicContact CE1-OD2 2.76Å; H87-D90 IonicContact ND1-OD2 2.69Å; H87-D90 PolarHBondContact ND1-OD2 2.92Å; H87-D90 VanDerWaalsContact ND1-OD2 3.09Å; D90-A94 WeakPolarHBondContact O-CB 3.19Å; D90-A94 PolarHBondContact O-N 3.1Å; D90-I281 HydrophobicContact CB-CD1 4.04Å
91T98.7Very high98Very high0 Ų039.5 Ų39.50%023%0.231CC..Hα-helixtrans-72.8-42.4178.3-50.10000111.6H87 F88 Y89 A94 L95 I281 V285 Y319 L322 L323 L326H87-T91 WeakPolarHBondContact O-CB 3.49Å; H87-T91 PolarHBondContact O-N 3.35Å; H87-T91 PolarHBondContact O-OG1 2.93Å; F88-T91 PolarHBondContact O-N 2.82Å; Y89-T91 PolarHBondContact O-N 2.78Å; T91-A94 PolarHBondContact O-N 3.29Å; T91-L95 HydrophobicContact CG2-CD1 4.48Å; T91-L95 WeakPolarHBondContact O-CG 3.42Å; T91-L95 PolarHBondContact O-N 3.35Å; T91-I281 HydrophobicContact CG2-CG2 4.49Å; T91-I281 WeakPolarHBondContact OG1-CD1 3.31Å; T91-I281 WeakPolarHBondContact OG1-CG1 3.43Å; T91-V285 HydrophobicContact CG2-CG2 4.23Å; T91-Y319 WeakPolarHBondContact OG1-CD2 3.12Å; T91-Y319 WeakPolarHBondContact OG1-CE2 3.49Å; T91-L322 HydrophobicContact CG2-CD2 3.43Å; T91-L322 VanDerWaalsContact CG2-CD2 3.43Å; T91-L322 HydrophobicContact CG2-CG 3.94Å; T91-L323 HydrophobicContact CG2-CD2 4.45Å; T91-L326 HydrophobicContact CG2-CD1 4.32Å
92M98.6Very high98Very high0 Ų034.5 Ų34.50%021%0.209CC..Hα-helixtrans-63.2-41.9175.6-75.3-65.9-169.300112.1L49 I50 M53 F80 L84 F88 Y89 L95 C96 L322L49-M92 HydrophobicContact CB-CE 3.55Å; I50-M92 HydrophobicContact CG1-CE 4.15Å; M53-M92 HydrophobicContact CB-CE 4.21Å; M53-M92 HydrophobicContact CB-SD 3.63Å; M53-M92 HydrophobicContact CG-CE 4.48Å; M53-M92 HydrophobicContact CG-SD 3.81Å; F80-M92 HydrophobicContact CD2-CB 4.12Å; F80-M92 HydrophobicContact CE2-CB 4.46Å; F80-M92 HydrophobicContact CG-CB 4.48Å; L84-M92 HydrophobicContact CD1-CB 4.1Å; L84-M92 HydrophobicContact CD1-CG 3.76Å; F88-M92 HydrophobicContact CE1-CE 4.41Å; F88-M92 HydrophobicContact CE2-CE 3.55Å; F88-M92 HydrophobicContact CE2-CG 4.28Å; F88-M92 HydrophobicContact CZ-CE 3.43Å; F88-M92 VanDerWaalsContact CZ-CE 3.43Å; F88-M92 HydrophobicContact CZ-CG 4.37Å; F88-M92 WeakPolarHBondContact O-CG 3.44Å; F88-M92 PolarHBondContact O-N 2.83Å; Y89-M92 PolarHBondContact O-N 3.43Å; Y89-M92 VanDerWaalsContact O-N 3.13Å; M92-L95 PolarHBondContact O-N 3.45Å; M92-C96 PolarHBondContact O-N 3.43Å; M92-C96 PolarHBondContact O-SG 2.82Å; M92-L322 HydrophobicContact CE-CD1 4.23Å; M92-L322 HydrophobicContact CE-CD2 3.91Å; M92-L322 HydrophobicContact CG-CD2 3.98Å; M92-L322 HydrophobicContact SD-CD2 3.89Å
93E98.5Very high98.2Very high19 Ų1931 Ų319%0.08918%0.184CC..Hα-helixtrans-58-50.6172.5-175.9-169.3-155.500110I77 Y89 L95 C96 L97 R105 R109I77-E93 HydrophobicContact CG2-CG 3.98Å; Y89-E93 HydrophobicContact CE2-CB 4.33Å; Y89-E93 WeakPolarHBondContact O-CB 3.49Å; Y89-E93 PolarHBondContact O-N 3.48Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.01Å; E93-C96 WeakPolarHBondContact O-CB 3.49Å; E93-C96 PolarHBondContact O-N 2.98Å; E93-L97 WeakPolarHBondContact O-CG 3.48Å; E93-R105 IonicContact OE1-NH1 3.57Å; E93-R105 PolarHBondContact OE1-NH1 3.07Å; E93-R109 IonicContact OE1-NH2 2.89Å; E93-R109 IonicContact OE2-CZ 2.93Å; E93-R109 IonicContact OE2-NH2 3.02Å; E93-R109 PolarHBondContact OE2-NH2 3.41Å
94A98.7Very high98.3Very high2 Ų227.6 Ų27.62%0.01717%0.168CC..Hα-helixtrans-57.3-40.418000000112.5D90 T91 C96 L97 F102 I281 V285D90-A94 WeakPolarHBondContact O-CB 3.19Å; D90-A94 PolarHBondContact O-N 3.1Å; T91-A94 PolarHBondContact O-N 3.29Å; A94-C96 VanDerWaalsContact C-N 3.3Å; A94-C96 PolarHBondContact O-N 3.37Å; A94-L97 PolarHBondContact O-N 3.2Å; A94-F102 HydrophobicContact CB-CD2 3.84Å; A94-F102 HydrophobicContact CB-CE2 3.45Å; A94-F102 VanDerWaalsContact CB-CE2 3.45Å; A94-F102 HydrophobicContact CB-CZ 3.83Å; A94-I281 HydrophobicContact CB-CG2 4.29Å; A94-V285 HydrophobicContact CB-CB 4.5Å; A94-V285 HydrophobicContact CB-CG1 4.09Å; A94-V285 HydrophobicContact CB-CG2 4.17Å
95L98.6Very high98.3Very high0 Ų029.1 Ų29.10%017%0.173CC..Hα-helixtrans-67-26.4177.2-71.3172.3000113.3M53 R61 T91 M92 E93 L97 V285 L322 L326M53-L95 HydrophobicContact CB-CD1 4.24Å; M53-L95 HydrophobicContact CE-CB 4.22Å; R61-L95 VanDerWaalsContact CD-O 3.32Å; R61-L95 WeakPolarHBondContact CD-O 3.44Å; R61-L95 PolarHBondContact NE-O 3.27Å; T91-L95 HydrophobicContact CG2-CD1 4.48Å; T91-L95 WeakPolarHBondContact O-CG 3.42Å; T91-L95 PolarHBondContact O-N 3.35Å; M92-L95 PolarHBondContact O-N 3.45Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.01Å; L95-L97 VanDerWaalsContact C-N 3.28Å; L95-L97 PolarHBondContact O-N 3.34Å; L95-V285 HydrophobicContact CD2-CG1 4.23Å; L95-V285 HydrophobicContact CD2-CG2 4.3Å; L95-L322 HydrophobicContact CD1-CD1 3.9Å; L95-L322 HydrophobicContact CD1-CD2 4.05Å; L95-L322 HydrophobicContact CD1-CG 4.27Å; L95-L326 HydrophobicContact CD1-CD1 4.31Å; L95-L326 HydrophobicContact CD1-CD2 4.34Å; L95-L326 HydrophobicContact CD2-CD1 4.07Å; L95-L326 HydrophobicContact CD2-CD2 3.8Å
96C98.4Very high98.4Very high8 Ų824.9 Ų24.95%0.05414%0.142CC..Hα-helixtrans-76-13.5175.9-73.50000114.1V65 I77 F80 M92 E93 A94V65-C96 HydrophobicContact CG2-CB 3.82Å; I77-C96 HydrophobicContact CD1-CB 3.72Å; I77-C96 HydrophobicContact CG1-CB 3.53Å; F80-C96 VanDerWaalsContact CE2-SG 3.6Å; M92-C96 PolarHBondContact O-N 3.43Å; M92-C96 PolarHBondContact O-SG 2.82Å; E93-C96 WeakPolarHBondContact O-CB 3.49Å; E93-C96 PolarHBondContact O-N 2.98Å; A94-C96 VanDerWaalsContact C-N 3.3Å; A94-C96 PolarHBondContact O-N 3.37Å
97L98Very high98.5Very high11 Ų1122.7 Ų22.76%0.05812%0.119CC..SBendtrans-92.2148-175.5-58.5172.6000111.1I77 E93 A94 L95 E101 F102 R105I77-L97 HydrophobicContact CD1-CD2 4.07Å; E93-L97 WeakPolarHBondContact O-CG 3.48Å; A94-L97 PolarHBondContact O-N 3.2Å; L95-L97 VanDerWaalsContact C-N 3.28Å; L95-L97 PolarHBondContact O-N 3.34Å; L97-E101 HydrophobicContact CB-CB 4.14Å; L97-E101 HydrophobicContact CD2-CB 4.41Å; L97-F102 HydrophobicContact CB-CB 4.07Å; L97-F102 HydrophobicContact CD1-CB 4.28Å; L97-F102 HydrophobicContact CD1-CD2 4.16Å; L97-R105 VanDerWaalsContact CD2-CZ 3.45Å
98S97.3Very high98.5Very high35 Ų3521.5 Ų21.525%0.24511%0.114CC..  trans-64.2155.7163.364.70000110.3S100 E101 F102S98-S100 PolarHBondContact O-N 3.49Å; S98-S100 VanDerWaalsContact O-N 3.16Å; S98-E101 WeakPolarHBondContact CB-OE2 3.42Å; S98-E101 PolarHBondContact N-OE2 2.87Å; S98-E101 PolarHBondContact O-N 3.02Å; S98-E101 VanDerWaalsContact O-N 3.08Å; S98-E101 WeakPolarHBondContact OG-CB 3.48Å; S98-E101 WeakPolarHBondContact OG-CG 3.41Å; S98-E101 PolarHBondContact OG-N 3.41Å; S98-E101 PolarHBondContact OG-OE2 3.44Å; S98-F102 PolarHBondContact O-N 3.44Å
99P97.9Very high98.4Very high84 Ų8424.6 Ų24.655%0.54513%0.125SC..Hα-helixtrans-53.1-39.6-179.5-29.636.1000114.1D103P99-D103 PolarHBondContact O-N 2.75Å
100S98.5Very high98.4Very high20 Ų2023.8 Ų23.814%0.1412%0.124CC..Hα-helixtrans-73.9-34.5178.950.20000113.4S98 A104S98-S100 PolarHBondContact O-N 3.49Å; S98-S100 VanDerWaalsContact O-N 3.16Å; S100-A104 WeakPolarHBondContact O-CB 3.5Å; S100-A104 PolarHBondContact O-N 2.77Å
101E98.5Very high98.4Very high73 Ų7322.5 Ų22.534%0.34112%0.117SC..Hα-helixtrans-66.9-41.1172.4-73.6167.1141.400111.4L97 S98 A104 R105 A139L97-E101 HydrophobicContact CB-CB 4.14Å; L97-E101 HydrophobicContact CD2-CB 4.41Å; S98-E101 WeakPolarHBondContact CB-OE2 3.42Å; S98-E101 PolarHBondContact N-OE2 2.87Å; S98-E101 PolarHBondContact O-N 3.02Å; S98-E101 VanDerWaalsContact O-N 3.08Å; S98-E101 WeakPolarHBondContact OG-CB 3.48Å; S98-E101 WeakPolarHBondContact OG-CG 3.41Å; S98-E101 PolarHBondContact OG-N 3.41Å; S98-E101 PolarHBondContact OG-OE2 3.44Å; E101-A104 PolarHBondContact O-N 3.21Å; E101-R105 WeakPolarHBondContact O-CG 3.36Å; E101-R105 PolarHBondContact O-N 3.44Å; E101-A139 HydrophobicContact CG-CB 4.1Å
102F98.7Very high98.2Very high6 Ų629.8 Ų29.83%0.02615%0.148CC..Hα-helixtrans-61.3-52.8176.6-178.3-132.9000111.3A94 L97 S98 A104 R105 E106 R282 V285A94-F102 HydrophobicContact CB-CD2 3.84Å; A94-F102 HydrophobicContact CB-CE2 3.45Å; A94-F102 VanDerWaalsContact CB-CE2 3.45Å; A94-F102 HydrophobicContact CB-CZ 3.83Å; L97-F102 HydrophobicContact CB-CB 4.07Å; L97-F102 HydrophobicContact CD1-CB 4.28Å; L97-F102 HydrophobicContact CD1-CD2 4.16Å; S98-F102 PolarHBondContact O-N 3.44Å; F102-A104 VanDerWaalsContact C-N 3.31Å; F102-A104 PolarHBondContact O-N 3.09Å; F102-R105 PolarHBondContact O-N 2.81Å; F102-R105 VanDerWaalsContact O-N 3.16Å; F102-E106 HydrophobicContact CD2-CG 4.12Å; F102-E106 HydrophobicContact CE2-CG 3.73Å; F102-E106 HydrophobicContact CZ-CG 4.03Å; F102-E106 WeakPolarHBondContact O-CG 3.4Å; F102-E106 PolarHBondContact O-N 2.62Å; F102-R282 HydrophobicContact CE1-CB 4.36Å; F102-R282 HydrophobicContact CE1-CG 4.03Å; F102-R282 HydrophobicContact CZ-CB 4.1Å; F102-R282 HydrophobicContact CZ-CG 4.1Å; F102-V285 HydrophobicContact CD1-CG1 4.17Å; F102-V285 HydrophobicContact CE1-CB 4.01Å; F102-V285 HydrophobicContact CE1-CG1 3.98Å; F102-V285 HydrophobicContact CZ-CB 4.44Å
103D98.8Very high97.9Very high9 Ų932.8 Ų32.85%0.04818%0.179CC..Hα-helixtrans-59-40.9176.4-83.3-9.4000111.8P99 R105 E106 L107 I124 R128 I136P99-D103 PolarHBondContact O-N 2.75Å; D103-R105 PolarHBondContact O-N 2.64Å; D103-E106 PolarHBondContact O-N 2.97Å; D103-L107 WeakPolarHBondContact O-CB 3.13Å; D103-L107 VanDerWaalsContact O-CG 3.28Å; D103-L107 WeakPolarHBondContact O-CG 3.35Å; D103-L107 PolarHBondContact O-N 2.62Å; D103-I124 HydrophobicContact CB-CG2 4.22Å; D103-R128 IonicContact OD1-CZ 3.74Å; D103-R128 IonicContact OD1-NE 3.26Å; D103-R128 IonicContact OD1-NH2 3.85Å; D103-R128 PolarHBondContact OD1-NH2 3.48Å; D103-R128 IonicContact OD2-CZ 2.85Å; D103-R128 IonicContact OD2-NE 3.94Å; D103-R128 PolarHBondContact OD2-NE 3.16Å; D103-R128 IonicContact OD2-NH2 2.81Å; D103-R128 PolarHBondContact OD2-NH2 3.36Å; D103-I136 HydrophobicContact CB-CD1 3.67Å; D103-I136 HydrophobicContact CB-CG1 3.75Å; D103-I136 HydrophobicContact CB-CG2 4.47Å; D103-I136 WeakPolarHBondContact OD2-CD1 3.05Å
104A98.8Very high97.4Very high0 Ų037.2 Ų37.20%022%0.219CC..Hα-helixtrans-62.8-40.5176.700000112.9S100 E101 F102 H108 I136 A139 Y140S100-A104 WeakPolarHBondContact O-CB 3.5Å; S100-A104 PolarHBondContact O-N 2.77Å; E101-A104 PolarHBondContact O-N 3.21Å; F102-A104 VanDerWaalsContact C-N 3.31Å; F102-A104 PolarHBondContact O-N 3.09Å; A104-H108 WeakPolarHBondContact O-CB 3.37Å; A104-H108 PolarHBondContact O-N 3.4Å; A104-I136 HydrophobicContact CB-CG2 4.38Å; A104-A139 HydrophobicContact CB-CB 4Å; A104-Y140 HydrophobicContact CB-CD2 4.21Å; A104-Y140 WeakPolarHBondContact O-CD2 3.49Å
105R98.5Very high97.1Very high46 Ų4639.8 Ų39.817%0.17425%0.246CC..Hα-helixtrans-68.4-39.1175.8-72-171.4-171.2-165.41.7111.8E93 L97 E101 F102 D103 H108 R109 F143E93-R105 IonicContact OE1-NH1 3.57Å; E93-R105 PolarHBondContact OE1-NH1 3.07Å; L97-R105 VanDerWaalsContact CD2-CZ 3.45Å; E101-R105 WeakPolarHBondContact O-CG 3.36Å; E101-R105 PolarHBondContact O-N 3.44Å; F102-R105 PolarHBondContact O-N 2.81Å; F102-R105 VanDerWaalsContact O-N 3.16Å; D103-R105 PolarHBondContact O-N 2.64Å; R105-H108 PolarHBondContact O-N 2.98Å; R105-R109 WeakPolarHBondContact O-CB 3.34Å; R105-R109 VanDerWaalsContact O-CG 3.22Å; R105-R109 WeakPolarHBondContact O-CG 3.25Å; R105-R109 PolarHBondContact O-N 2.95Å; R105-F143 HydrophobicContact CG-CD1 3.92Å; R105-F143 HydrophobicContact CG-CD2 4.42Å; R105-F143 HydrophobicContact CG-CE1 3.76Å; R105-F143 HydrophobicContact CG-CE2 4.26Å; R105-F143 HydrophobicContact CG-CG 4.27Å; R105-F143 HydrophobicContact CG-CZ 3.94Å
106E98.8Very high96.9Very high11 Ų1141 Ų415%0.05125%0.253CS..Hα-helixtrans-65.6-41.5176.2-71-61.3104.500111.8F102 D103 R109 A110 V120 I124 R282F102-E106 HydrophobicContact CD2-CG 4.12Å; F102-E106 HydrophobicContact CE2-CG 3.73Å; F102-E106 HydrophobicContact CZ-CG 4.03Å; F102-E106 WeakPolarHBondContact O-CG 3.4Å; F102-E106 PolarHBondContact O-N 2.62Å; D103-E106 PolarHBondContact O-N 2.97Å; E106-R109 PolarHBondContact O-N 3.33Å; E106-R109 WeakPolarHBondContact OE1-CD 3.44Å; E106-R109 IonicContact OE1-CZ 2.95Å; E106-R109 IonicContact OE1-NE 3.78Å; E106-R109 IonicContact OE1-NH1 2.72Å; E106-R109 PolarHBondContact OE1-NH1 2.79Å; E106-A110 WeakPolarHBondContact O-CB 3.23Å; E106-A110 PolarHBondContact O-N 3.1Å; E106-V120 HydrophobicContact CB-CG1 4.4Å; E106-I124 HydrophobicContact CB-CD1 3.87Å; E106-R282 HydrophobicContact CG-CG 4.16Å; E106-R282 IonicContact OE2-NH1 2.97Å
107L98.8Very high96.9Very high0 Ų043.7 Ų43.70%027%0.267CS..Hα-helixtrans-61.4-45.2171.6-71172000111.7D103 R109 A110 M111 L121 I124 I136 Y140 L148D103-L107 WeakPolarHBondContact O-CB 3.13Å; D103-L107 VanDerWaalsContact O-CG 3.28Å; D103-L107 WeakPolarHBondContact O-CG 3.35Å; D103-L107 PolarHBondContact O-N 2.62Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.41Å; L107-A110 PolarHBondContact O-N 3.4Å; L107-M111 HydrophobicContact CB-CE 4.4Å; L107-M111 VanDerWaalsContact O-CE 3.3Å; L107-M111 WeakPolarHBondContact O-CE 3.36Å; L107-M111 PolarHBondContact O-N 2.87Å; L107-L121 HydrophobicContact CD2-CD2 3.47Å; L107-L121 VanDerWaalsContact CD2-CD2 3.47Å; L107-I124 HydrophobicContact CD1-CG2 4.01Å; L107-I124 HydrophobicContact CD2-CB 3.97Å; L107-I124 HydrophobicContact CD2-CD1 3.86Å; L107-I124 HydrophobicContact CD2-CG1 4.44Å; L107-I124 HydrophobicContact CD2-CG2 4.09Å; L107-I124 HydrophobicContact CG-CB 4.42Å; L107-I124 HydrophobicContact CG-CD1 3.77Å; L107-I124 HydrophobicContact CG-CG2 4.12Å; L107-I136 HydrophobicContact CD1-CG2 3.56Å; L107-Y140 HydrophobicContact CB-CD2 4.49Å; L107-Y140 HydrophobicContact CB-CE2 4.35Å; L107-L148 HydrophobicContact CB-CD1 4.22Å; L107-L148 HydrophobicContact CD1-CD1 3.97Å; L107-L148 HydrophobicContact CD1-CD2 3.7Å
108H98.5Very high96.9Very high47 Ų4745.8 Ų45.822%0.21828%0.277CS..Hα-helixtrans-61.4-44.6177.7-179.163.1000111.3A104 R105 A110 M111 K112 Y140 F143 T144A104-H108 WeakPolarHBondContact O-CB 3.37Å; A104-H108 PolarHBondContact O-N 3.4Å; R105-H108 PolarHBondContact O-N 2.98Å; H108-A110 VanDerWaalsContact C-N 3.33Å; H108-A110 PolarHBondContact O-N 3.15Å; H108-M111 CarbonylContact O-C 3.53Å; H108-M111 PolarHBondContact O-N 3.35Å; H108-K112 VanDerWaalsContact O-CB 3.31Å; H108-K112 WeakPolarHBondContact O-CB 3.46Å; H108-K112 PolarHBondContact O-N 3.33Å; H108-Y140 HydrophobicContact CB-CD2 4.45Å; H108-Y140 HydrophobicContact CB-CE2 3.64Å; H108-Y140 PolarHBondContact ND1-OH 3.2Å; H108-F143 HydrophobicContact CB-CE1 4.29Å; H108-F143 AromaticContact CD2-CE1 3.9Å; H108-T144 HydrophobicContact CB-CG2 4.23Å
109R97.7Very high96.9Very high80 Ų8046.1 Ų46.130%0.30228%0.279SS..Hα-helixtrans-61.6-41176.2-74.7167178.3176.4-2.8111.6E93 R105 E106 L107 M111 K112E93-R109 IonicContact OE1-NH2 2.89Å; E93-R109 IonicContact OE2-CZ 2.93Å; E93-R109 IonicContact OE2-NH2 3.02Å; E93-R109 PolarHBondContact OE2-NH2 3.41Å; R105-R109 WeakPolarHBondContact O-CB 3.34Å; R105-R109 VanDerWaalsContact O-CG 3.22Å; R105-R109 WeakPolarHBondContact O-CG 3.25Å; R105-R109 PolarHBondContact O-N 2.95Å; E106-R109 PolarHBondContact O-N 3.33Å; E106-R109 WeakPolarHBondContact OE1-CD 3.44Å; E106-R109 IonicContact OE1-CZ 2.95Å; E106-R109 IonicContact OE1-NE 3.78Å; E106-R109 IonicContact OE1-NH1 2.72Å; E106-R109 PolarHBondContact OE1-NH1 2.79Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.41Å; R109-M111 PolarHBondContact O-N 3.31Å; R109-K112 PolarHBondContact O-N 2.85Å
110A98.1Very high96.9Very high10 Ų1042.3 Ų42.38%0.08325%0.254CS..Hα-helixtrans-63.8-26.4178.600000113.5E106 L107 H108 T116 N117 V120E106-A110 WeakPolarHBondContact O-CB 3.23Å; E106-A110 PolarHBondContact O-N 3.1Å; L107-A110 PolarHBondContact O-N 3.4Å; H108-A110 VanDerWaalsContact C-N 3.33Å; H108-A110 PolarHBondContact O-N 3.15Å; A110-T116 CarbonylContact O-C 3.58Å; A110-T116 WeakPolarHBondContact O-CA 3.32Å; A110-N117 HydrophobicContact CB-CB 4.07Å; A110-N117 PolarHBondContact O-N 2.95Å; A110-V120 HydrophobicContact CB-CB 3.82Å; A110-V120 HydrophobicContact CB-CG1 3.88Å; A110-V120 HydrophobicContact CB-CG2 4.46Å
111M98.3Very high96.9Very high12 Ų1241.4 Ų41.46%0.05925%0.248CC..THydrogen-bonded Turntrans-104.84.2178.2-62.1179.7-6700112.8L107 H108 R109 G113 T116 L121 Y140 L148 D151 V152 D155L107-M111 HydrophobicContact CB-CE 4.4Å; L107-M111 VanDerWaalsContact O-CE 3.3Å; L107-M111 WeakPolarHBondContact O-CE 3.36Å; L107-M111 PolarHBondContact O-N 2.87Å; H108-M111 CarbonylContact O-C 3.53Å; H108-M111 PolarHBondContact O-N 3.35Å; R109-M111 PolarHBondContact O-N 3.31Å; M111-G113 PolarHBondContact O-N 3.1Å; M111-T116 HydrophobicContact CG-CG2 4.05Å; M111-L121 HydrophobicContact CG-CD2 4.17Å; M111-L121 HydrophobicContact SD-CD2 4.21Å; M111-Y140 HydrophobicContact CE-CE2 3.99Å; M111-Y140 WeakPolarHBondContact CE-OH 3.3Å; M111-L148 HydrophobicContact CE-CD1 3.77Å; M111-D151 HydrophobicContact CE-CB 3.91Å; M111-D151 HydrophobicContact SD-CB 4.08Å; M111-V152 HydrophobicContact CE-CG2 4.14Å; M111-V152 HydrophobicContact SD-CB 4.34Å; M111-V152 HydrophobicContact SD-CG2 3.61Å; M111-D155 HydrophobicContact CB-CB 4.38Å; M111-D155 HydrophobicContact CG-CB 4.07Å; M111-D155 HydrophobicContact SD-CB 4.24Å
112K95.1Very high97Very high152 Ų15238.2 Ų38.266%0.66123%0.233SC*.SBendtrans-86.8116-176.5-176.8178.2178.3-179.50110.6H108 R109H108-K112 VanDerWaalsContact O-CB 3.31Å; H108-K112 WeakPolarHBondContact O-CB 3.46Å; H108-K112 PolarHBondContact O-N 3.33Å; R109-K112 PolarHBondContact O-N 2.85Å
113G92.4Very high97Very high64 Ų6438 Ų3866%0.6623%0.232SC*.SBendtrans108.8-151.4170.400000112M111M111-G113 PolarHBondContact O-N 3.1Å
114A87.8Confident97Very high111 Ų11137.5 Ų37.592%0.91723%0.23SC*.SBendtrans-83.8129.917500000110
115G91.4Very high97Very high56 Ų5637.6 Ų37.658%0.57723%0.23SC*.SBendtrans76.7179.3-175.700000112.8
116T95.7Very high97Very high26 Ų2635.5 Ų35.516%0.1622%0.222CC..  trans-136.3143.6-175.7-50.30000108.4A110 M111 E118 L121 D155A110-T116 CarbonylContact O-C 3.58Å; A110-T116 WeakPolarHBondContact O-CA 3.32Å; M111-T116 HydrophobicContact CG-CG2 4.05Å; T116-E118 HydrophobicContact CG2-CG 4.25Å; T116-E118 PolarHBondContact O-N 3.4Å; T116-L121 HydrophobicContact CG2-CD1 3.64Å; T116-L121 HydrophobicContact CG2-CG 4.31Å; T116-D155 HydrophobicContact CG2-CB 4.24Å; T116-D155 WeakPolarHBondContact OG1-CB 3.38Å; T116-D155 PolarHBondContact OG1-O 3.01Å; T116-D155 PolarHBondContact OG1-OD1 2.93Å
117N96.8Very high96.9Very high65 Ų6535 Ų3535%0.34822%0.22SC..  trans-90.283.9168.2-173.4-15.8000109.3A110 S119 V120 L121A110-N117 HydrophobicContact CB-CB 4.07Å; A110-N117 PolarHBondContact O-N 2.95Å; N117-S119 PolarHBondContact O-N 3.01Å; N117-S119 WeakPolarHBondContact OD1-CB 3.38Å; N117-S119 PolarHBondContact OD1-N 3.15Å; N117-S119 PolarHBondContact OD1-OG 2.92Å; N117-V120 HydrophobicContact CB-CG2 4.27Å; N117-V120 WeakPolarHBondContact ND2-CG2 3.44Å; N117-V120 PolarHBondContact O-N 3.45Å; N117-V120 VanDerWaalsContact O-N 3.15Å; N117-V120 PolarHBondContact OD1-N 3.35Å; N117-L121 PolarHBondContact O-N 2.85Å
118E98Very high96.9Very high55 Ų5535.2 Ų35.226%0.25722%0.221SC..Hα-helixtrans-65.4-21.8-176.7-58.394.4152.400112.7T116 V120 L121 I122 F160 N243T116-E118 HydrophobicContact CG2-CG 4.25Å; T116-E118 PolarHBondContact O-N 3.4Å; E118-V120 VanDerWaalsContact C-N 3.26Å; E118-V120 PolarHBondContact O-N 2.73Å; E118-L121 PolarHBondContact O-N 2.81Å; E118-I122 WeakPolarHBondContact O-CB 3.16Å; E118-I122 WeakPolarHBondContact O-CD1 3.44Å; E118-I122 WeakPolarHBondContact O-CG1 3.41Å; E118-I122 PolarHBondContact O-N 2.79Å; E118-F160 HydrophobicContact CB-CE1 3.8Å; E118-F160 HydrophobicContact CB-CZ 3.86Å; E118-F160 HydrophobicContact CG-CD1 4.38Å; E118-F160 HydrophobicContact CG-CE1 3.58Å; E118-F160 HydrophobicContact CG-CZ 4.17Å; E118-N243 HydrophobicContact CB-CB 4.35Å; E118-N243 WeakPolarHBondContact CG-ND2 3.25Å; E118-N243 PolarHBondContact OE1-ND2 3.13Å; E118-N243 VanDerWaalsContact OE1-ND2 3.11Å
119S98Very high96.8Very high42 Ų4235.4 Ų35.429%0.29423%0.225SC..Hα-helixtrans-63.6-33.4176.382.10000112.4N117 E123N117-S119 PolarHBondContact O-N 3.01Å; N117-S119 WeakPolarHBondContact OD1-CB 3.38Å; N117-S119 PolarHBondContact OD1-N 3.15Å; N117-S119 PolarHBondContact OD1-OG 2.92Å; S119-E123 WeakPolarHBondContact O-CB 3.48Å; S119-E123 PolarHBondContact O-N 3.48Å
120V98.6Very high96.9Very high4 Ų432.5 Ų32.52%0.02422%0.216CC..Hα-helixtrans-75.4-43.1175.1177.10000110.2E106 A110 N117 E118 I122 E123 I124E106-V120 HydrophobicContact CB-CG1 4.4Å; A110-V120 HydrophobicContact CB-CB 3.82Å; A110-V120 HydrophobicContact CB-CG1 3.88Å; A110-V120 HydrophobicContact CB-CG2 4.46Å; N117-V120 HydrophobicContact CB-CG2 4.27Å; N117-V120 WeakPolarHBondContact ND2-CG2 3.44Å; N117-V120 PolarHBondContact O-N 3.45Å; N117-V120 VanDerWaalsContact O-N 3.15Å; N117-V120 PolarHBondContact OD1-N 3.35Å; E118-V120 VanDerWaalsContact C-N 3.26Å; E118-V120 PolarHBondContact O-N 2.73Å; V120-I122 VanDerWaalsContact C-N 3.29Å; V120-I122 PolarHBondContact O-N 3.41Å; V120-E123 PolarHBondContact O-N 3.06Å; V120-I124 HydrophobicContact CG1-CD1 3.74Å; V120-I124 HydrophobicContact CG1-CG1 4.37Å; V120-I124 WeakPolarHBondContact O-CG1 2.96Å; V120-I124 PolarHBondContact O-N 3.2Å
121L98.7Very high96.9Very high0 Ų037.6 Ų37.60%024%0.238CC..Hα-helixtrans-56.8-46.2173.9-63.4-174.2000110.7L107 M111 T116 N117 E118 I124 L125 V152 T156 F160L107-L121 HydrophobicContact CD2-CD2 3.47Å; L107-L121 VanDerWaalsContact CD2-CD2 3.47Å; M111-L121 HydrophobicContact CG-CD2 4.17Å; M111-L121 HydrophobicContact SD-CD2 4.21Å; T116-L121 HydrophobicContact CG2-CD1 3.64Å; T116-L121 HydrophobicContact CG2-CG 4.31Å; N117-L121 PolarHBondContact O-N 2.85Å; E118-L121 PolarHBondContact O-N 2.81Å; L121-I124 PolarHBondContact O-N 3.44Å; L121-L125 VanDerWaalsContact O-CB 3.24Å; L121-L125 WeakPolarHBondContact O-CB 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.2Å; L121-L125 PolarHBondContact O-N 2.98Å; L121-V152 HydrophobicContact CD2-CG2 4.48Å; L121-T156 HydrophobicContact CD1-CG2 3.73Å; L121-F160 HydrophobicContact CB-CZ 4.46Å; L121-F160 HydrophobicContact CD1-CE1 4.48Å
122I98.7Very high96.9Very high7 Ų739.6 Ų39.64%0.03625%0.247CC..Hα-helixtrans-62.3-50.2178.4-71.3165.9000110.9E118 V120 I124 C126 F160 Q246 A247 A250E118-I122 WeakPolarHBondContact O-CB 3.16Å; E118-I122 WeakPolarHBondContact O-CD1 3.44Å; E118-I122 WeakPolarHBondContact O-CG1 3.41Å; E118-I122 PolarHBondContact O-N 2.79Å; V120-I122 VanDerWaalsContact C-N 3.29Å; V120-I122 PolarHBondContact O-N 3.41Å; I122-I124 VanDerWaalsContact C-N 3.32Å; I122-I124 PolarHBondContact O-N 3.24Å; I122-C126 WeakPolarHBondContact O-CB 3.46Å; I122-C126 PolarHBondContact O-N 2.89Å; I122-C126 PolarHBondContact O-SG 3.45Å; I122-C126 VanDerWaalsContact O-SG 3.35Å; I122-F160 HydrophobicContact CD1-CE2 3.95Å; I122-F160 HydrophobicContact CD1-CZ 4.23Å; I122-F160 HydrophobicContact CG1-CE2 3.63Å; I122-F160 HydrophobicContact CG1-CZ 3.88Å; I122-Q246 HydrophobicContact CD1-CB 3.74Å; I122-A247 HydrophobicContact CD1-CB 4.18Å; I122-A247 HydrophobicContact CG1-CB 3.87Å; I122-A247 HydrophobicContact CG2-CB 4.39Å; I122-A250 HydrophobicContact CG2-CB 3.65Å
123E98.7Very high97.1Very high0 Ų032.6 Ų32.60%022%0.216CC..Hα-helixtrans-57.6-46.4179.8-172.6-163.3107.800111.2S119 V120 T127 R128 Y261 F262 R282S119-E123 WeakPolarHBondContact O-CB 3.48Å; S119-E123 PolarHBondContact O-N 3.48Å; V120-E123 PolarHBondContact O-N 3.06Å; E123-T127 WeakPolarHBondContact O-CB 3.22Å; E123-T127 WeakPolarHBondContact O-CG2 3.38Å; E123-T127 PolarHBondContact O-OG1 3.31Å; E123-R128 PolarHBondContact O-NH1 3.05Å; E123-R128 IonicContact OE1-NH1 3.19Å; E123-Y261 WeakPolarHBondContact CA-OH 3.44Å; E123-Y261 HydrophobicContact CG-CE1 4.35Å; E123-F262 HydrophobicContact CG-CE1 3.99Å; E123-R282 IonicContact OE1-CZ 3.38Å; E123-R282 IonicContact OE1-NE 2.73Å; E123-R282 PolarHBondContact OE1-NE 3.47Å; E123-R282 IonicContact OE1-NH2 3.91Å; E123-R282 IonicContact OE2-CZ 2.62Å; E123-R282 IonicContact OE2-NE 2.62Å; E123-R282 PolarHBondContact OE2-NE 2.87Å; E123-R282 IonicContact OE2-NH2 3.79Å; E123-R282 PolarHBondContact OE2-NH2 3.19Å
124I98.8Very high97.4Very high0 Ų034.6 Ų34.60%021%0.207CC..Hα-helixtrans-73.4-52.3-177.4-60.2176.4000111.6D103 E106 L107 V120 L121 I122 C126 R128 I136D103-I124 HydrophobicContact CB-CG2 4.22Å; E106-I124 HydrophobicContact CB-CD1 3.87Å; L107-I124 HydrophobicContact CD1-CG2 4.01Å; L107-I124 HydrophobicContact CD2-CB 3.97Å; L107-I124 HydrophobicContact CD2-CD1 3.86Å; L107-I124 HydrophobicContact CD2-CG1 4.44Å; L107-I124 HydrophobicContact CD2-CG2 4.09Å; L107-I124 HydrophobicContact CG-CB 4.42Å; L107-I124 HydrophobicContact CG-CD1 3.77Å; L107-I124 HydrophobicContact CG-CG2 4.12Å; V120-I124 HydrophobicContact CG1-CD1 3.74Å; V120-I124 HydrophobicContact CG1-CG1 4.37Å; V120-I124 WeakPolarHBondContact O-CG1 2.96Å; V120-I124 PolarHBondContact O-N 3.2Å; L121-I124 PolarHBondContact O-N 3.44Å; I122-I124 VanDerWaalsContact C-N 3.32Å; I122-I124 PolarHBondContact O-N 3.24Å; I124-C126 PolarHBondContact O-N 3.4Å; I124-R128 HydrophobicContact CG2-CG 4.36Å; I124-R128 WeakPolarHBondContact O-CB 3.44Å; I124-R128 VanDerWaalsContact O-CD 3.22Å; I124-R128 WeakPolarHBondContact O-CD 3.21Å; I124-R128 WeakPolarHBondContact O-CG 3.38Å; I124-R128 PolarHBondContact O-N 3.47Å; I124-I136 HydrophobicContact CG2-CD1 4.19Å
125L98.7Very high97.9Very high2 Ų232.9 Ų32.91%0.0118%0.18CC..Hα-helixtrans-71.3-31.2-172.2-59.3-177.1000113.2L121 L133 C164 L167 L168L121-L125 VanDerWaalsContact O-CB 3.24Å; L121-L125 WeakPolarHBondContact O-CB 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.2Å; L121-L125 PolarHBondContact O-N 2.98Å; L125-L133 HydrophobicContact CD2-CD2 3.94Å; L125-C164 HydrophobicContact CD1-CB 3.83Å; L125-L167 HydrophobicContact CB-CB 4.43Å; L125-L167 HydrophobicContact CB-CD1 4.02Å; L125-L168 HydrophobicContact CD1-CD1 4.43Å; L125-L168 HydrophobicContact CD1-CG 4.37Å; L125-L168 HydrophobicContact CD2-CD2 3.57Å; L125-L168 HydrophobicContact CD2-CG 3.98Å
126C98.4Very high98.2Very high2 Ų230.3 Ų30.31%0.01415%0.153CC..Hα-helixtrans-83.8-21.3-177.6-620000113.6I122 I124 A250 I251I122-C126 WeakPolarHBondContact O-CB 3.46Å; I122-C126 PolarHBondContact O-N 2.89Å; I122-C126 PolarHBondContact O-SG 3.45Å; I122-C126 VanDerWaalsContact O-SG 3.35Å; I124-C126 PolarHBondContact O-N 3.4Å; C126-A250 HydrophobicContact CB-CB 4.27Å; C126-I251 HydrophobicContact CB-CG1 3.83Å
127T98Very high98.4Very high0 Ų031.5 Ų31.50%016%0.156CC..Hα-helixtrans-108.5-20.2-169.3670000115.3E123 C254 K258 Y261 F262E123-T127 WeakPolarHBondContact O-CB 3.22Å; E123-T127 WeakPolarHBondContact O-CG2 3.38Å; E123-T127 PolarHBondContact O-OG1 3.31Å; T127-C254 WeakPolarHBondContact CG2-SG 3.2Å; T127-K258 PolarHBondContact O-NZ 3.04Å; T127-Y261 HydrophobicContact CG2-CD1 4.08Å; T127-Y261 HydrophobicContact CG2-CE1 3.6Å; T127-F262 HydrophobicContact CG2-CE2 4.47Å; T127-F262 HydrophobicContact CG2-CZ 4.02Å
128R98.1Very high98.5Very high5 Ų535 Ų352%0.01917%0.17CC..SBendtrans-78.7153.3179.2-79.243.1167.6-161.71.6110.9D103 E123 I124 Q132 L133 I136D103-R128 IonicContact OD1-CZ 3.74Å; D103-R128 IonicContact OD1-NE 3.26Å; D103-R128 IonicContact OD1-NH2 3.85Å; D103-R128 PolarHBondContact OD1-NH2 3.48Å; D103-R128 IonicContact OD2-CZ 2.85Å; D103-R128 IonicContact OD2-NE 3.94Å; D103-R128 PolarHBondContact OD2-NE 3.16Å; D103-R128 IonicContact OD2-NH2 2.81Å; D103-R128 PolarHBondContact OD2-NH2 3.36Å; E123-R128 PolarHBondContact O-NH1 3.05Å; E123-R128 IonicContact OE1-NH1 3.19Å; I124-R128 HydrophobicContact CG2-CG 4.36Å; I124-R128 WeakPolarHBondContact O-CB 3.44Å; I124-R128 VanDerWaalsContact O-CD 3.22Å; I124-R128 WeakPolarHBondContact O-CD 3.21Å; I124-R128 WeakPolarHBondContact O-CG 3.38Å; I124-R128 PolarHBondContact O-N 3.47Å; R128-Q132 HydrophobicContact CB-CB 3.95Å; R128-Q132 HydrophobicContact CG-CB 4.2Å; R128-L133 HydrophobicContact CB-CD2 3.91Å; R128-L133 HydrophobicContact CB-CG 4.01Å; R128-I136 HydrophobicContact CB-CD1 4.43Å; R128-I136 HydrophobicContact CG-CD1 3.86Å
129T97.5Very high98.5Very high51 Ų5132.9 Ų32.931%0.31316%0.162SC..  trans-78.3166.3175.264.50000111.3H131 Q132 L133 E174T129-H131 PolarHBondContact O-N 2.91Å; T129-Q132 PolarHBondContact O-N 3.24Å; T129-Q132 VanDerWaalsContact O-N 3.17Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.18Å; T129-Q132 PolarHBondContact OG1-N 3.38Å; T129-Q132 PolarHBondContact OG1-OE1 3.49Å; T129-L133 WeakPolarHBondContact O-CG 3.22Å; T129-L133 PolarHBondContact O-N 3.27Å; T129-E174 WeakPolarHBondContact CA-OE1 3.49Å; T129-E174 WeakPolarHBondContact CB-OE1 3.31Å
130N98.4Very high98.6Very high18 Ų1830.9 Ų30.910%0.09615%0.148CC..Hα-helixtrans-56-41.5174-69.1-34.3000111.8K134 A170 S171 R172 E174N130-K134 VanDerWaalsContact O-CG 3.31Å; N130-K134 WeakPolarHBondContact O-CG 3.44Å; N130-K134 PolarHBondContact O-N 3.36Å; N130-K134 VanDerWaalsContact O-N 3.09Å; N130-A170 HydrophobicContact CB-CB 4.22Å; N130-A170 WeakPolarHBondContact CB-O 3.5Å; N130-A170 VanDerWaalsContact CG-C 3.4Å; N130-A170 VanDerWaalsContact CG-O 3.32Å; N130-A170 WeakPolarHBondContact OD1-CA 3.15Å; N130-A170 PolarHBondContact OD1-O 2.9Å; N130-S171 PolarHBondContact OD1-N 3.38Å; N130-R172 PolarHBondContact ND2-O 2.82Å; N130-R172 PolarHBondContact OD1-N 2.87Å; N130-E174 PolarHBondContact N-OE1 3.48Å; N130-E174 PolarHBondContact ND2-OE2 3.46Å
131H98.4Very high98.6Very high118 Ų11837.4 Ų37.455%0.54618%0.176SC..Hα-helixtrans-62.1-48.2176.9-179.5-90000111.2T129 L133 K134 Q135T129-H131 PolarHBondContact O-N 2.91Å; H131-L133 PolarHBondContact O-N 3.4Å; H131-K134 PolarHBondContact O-N 2.95Å; H131-Q135 PolarHBondContact CE1-NE2 3.5Å; H131-Q135 PolarHBondContact CE1-OE1 3.32Å; H131-Q135 PolarHBondContact ND1-OE1 2.85Å; H131-Q135 VanDerWaalsContact ND1-OE1 3.12Å; H131-Q135 WeakPolarHBondContact O-CG 3.39Å; H131-Q135 PolarHBondContact O-N 3.05Å; H131-Q135 VanDerWaalsContact O-N 3.1Å
132Q98.6Very high98.6Very high53 Ų5344.3 Ų44.325%0.24821%0.212CC..Hα-helixtrans-61.1-45.9177.9-72.8171.8-35.800111.6R128 T129 K134 Q135 I136R128-Q132 HydrophobicContact CB-CB 3.95Å; R128-Q132 HydrophobicContact CG-CB 4.2Å; T129-Q132 PolarHBondContact O-N 3.24Å; T129-Q132 VanDerWaalsContact O-N 3.17Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.18Å; T129-Q132 PolarHBondContact OG1-N 3.38Å; T129-Q132 PolarHBondContact OG1-OE1 3.49Å; Q132-K134 VanDerWaalsContact C-N 3.3Å; Q132-K134 PolarHBondContact O-N 3.1Å; Q132-Q135 PolarHBondContact O-N 3.46Å; Q132-Q135 VanDerWaalsContact O-N 3.15Å; Q132-I136 WeakPolarHBondContact O-CB 3.22Å; Q132-I136 WeakPolarHBondContact O-CD1 3.22Å; Q132-I136 WeakPolarHBondContact O-CG1 3.49Å; Q132-I136 PolarHBondContact O-N 3.42Å
133L98.8Very high98.5Very high5 Ų548.6 Ų48.63%0.02623%0.231CC..Hα-helixtrans-60.7-37.1178.3-69.6174.5000112.6L125 R128 T129 H131 I136 K137 L167 A170L125-L133 HydrophobicContact CD2-CD2 3.94Å; R128-L133 HydrophobicContact CB-CD2 3.91Å; R128-L133 HydrophobicContact CB-CG 4.01Å; T129-L133 WeakPolarHBondContact O-CG 3.22Å; T129-L133 PolarHBondContact O-N 3.27Å; H131-L133 PolarHBondContact O-N 3.4Å; L133-I136 HydrophobicContact CD2-CD1 4.39Å; L133-I136 PolarHBondContact O-N 3.05Å; L133-K137 WeakPolarHBondContact O-CG 3.4Å; L133-K137 PolarHBondContact O-N 2.86Å; L133-L167 WeakPolarHBondContact CD1-O 3.35Å; L133-A170 HydrophobicContact CB-CB 3.97Å
134K98.8Very high98.4Very high106 Ų10650.3 Ų50.346%0.46124%0.241SC..Hα-helixtrans-63.7-47.1173.5-71.8169.1-173.11740111.5N130 H131 Q132 I136 K137 E138 A170N130-K134 VanDerWaalsContact O-CG 3.31Å; N130-K134 WeakPolarHBondContact O-CG 3.44Å; N130-K134 PolarHBondContact O-N 3.36Å; N130-K134 VanDerWaalsContact O-N 3.09Å; H131-K134 PolarHBondContact O-N 2.95Å; Q132-K134 VanDerWaalsContact C-N 3.3Å; Q132-K134 PolarHBondContact O-N 3.1Å; K134-I136 VanDerWaalsContact C-N 3.33Å; K134-I136 PolarHBondContact O-N 2.65Å; K134-K137 PolarHBondContact O-N 3.41Å; K134-E138 PolarHBondContact O-N 2.92Å; K134-E138 VanDerWaalsContact O-N 3.14Å; K134-A170 HydrophobicContact CD-CB 4.45Å; K134-A170 WeakPolarHBondContact CE-O 3.39Å; K134-A170 HydrophobicContact CG-CB 3.86Å
135Q98.8Very high98.4Very high75 Ų7553.4 Ų53.435%0.3527%0.274SS..Hα-helixtrans-63.8-37.1177.1-67.1-177.6-5900112.5H131 Q132 E138 A139H131-Q135 PolarHBondContact CE1-NE2 3.5Å; H131-Q135 PolarHBondContact CE1-OE1 3.32Å; H131-Q135 PolarHBondContact ND1-OE1 2.85Å; H131-Q135 VanDerWaalsContact ND1-OE1 3.12Å; H131-Q135 WeakPolarHBondContact O-CG 3.39Å; H131-Q135 PolarHBondContact O-N 3.05Å; H131-Q135 VanDerWaalsContact O-N 3.1Å; Q132-Q135 PolarHBondContact O-N 3.46Å; Q132-Q135 VanDerWaalsContact O-N 3.15Å; Q135-E138 PolarHBondContact O-N 3.11Å; Q135-A139 WeakPolarHBondContact O-CB 3.46Å; Q135-A139 PolarHBondContact O-N 3.35Å
136I98.9Very high98.4Very high2 Ų260 Ų601%0.0130%0.298CS..Hα-helixtrans-63.3-44175.7-69.5163000110.4D103 A104 L107 I124 R128 Q132 L133 K134 E138 A139 Y140 L148D103-I136 HydrophobicContact CB-CD1 3.67Å; D103-I136 HydrophobicContact CB-CG1 3.75Å; D103-I136 HydrophobicContact CB-CG2 4.47Å; D103-I136 WeakPolarHBondContact OD2-CD1 3.05Å; A104-I136 HydrophobicContact CB-CG2 4.38Å; L107-I136 HydrophobicContact CD1-CG2 3.56Å; I124-I136 HydrophobicContact CG2-CD1 4.19Å; R128-I136 HydrophobicContact CB-CD1 4.43Å; R128-I136 HydrophobicContact CG-CD1 3.86Å; Q132-I136 WeakPolarHBondContact O-CB 3.22Å; Q132-I136 WeakPolarHBondContact O-CD1 3.22Å; Q132-I136 WeakPolarHBondContact O-CG1 3.49Å; Q132-I136 PolarHBondContact O-N 3.42Å; L133-I136 HydrophobicContact CD2-CD1 4.39Å; L133-I136 PolarHBondContact O-N 3.05Å; K134-I136 VanDerWaalsContact C-N 3.33Å; K134-I136 PolarHBondContact O-N 2.65Å; I136-E138 VanDerWaalsContact C-N 3.31Å; I136-E138 PolarHBondContact O-N 2.72Å; I136-A139 PolarHBondContact O-N 3.43Å; I136-Y140 VanDerWaalsContact O-CB 3.25Å; I136-Y140 WeakPolarHBondContact O-CB 3.4Å; I136-Y140 PolarHBondContact O-N 3.37Å; I136-L148 HydrophobicContact CG2-CD2 3.89Å
137K98.8Very high98.4Very high51 Ų5164.1 Ų64.122%0.22232%0.32CS..Hα-helixtrans-60-41.2176-73.8-171.4-59.6-176.30112.2L133 K134 K141 L148 E149 L168L133-K137 WeakPolarHBondContact O-CG 3.4Å; L133-K137 PolarHBondContact O-N 2.86Å; K134-K137 PolarHBondContact O-N 3.41Å; K137-K141 PolarHBondContact O-N 3.34Å; K137-K141 VanDerWaalsContact O-N 3.15Å; K137-L148 HydrophobicContact CG-CB 4.39Å; K137-L148 HydrophobicContact CG-CD2 3.98Å; K137-E149 HydrophobicContact CD-CG 4.38Å; K137-E149 WeakPolarHBondContact CD-OE1 3.43Å; K137-E149 IonicContact NZ-OE1 3.49Å; K137-E149 PolarHBondContact NZ-OE1 3.12Å; K137-L168 HydrophobicContact CD-CD2 4.33Å; K137-L168 WeakPolarHBondContact CE-O 3.33Å; K137-L168 HydrophobicContact CG-CD2 4.31Å; K137-L168 PolarHBondContact NZ-O 3.27Å
138E98.8Very high98.4Very high139 Ų13964.2 Ų64.265%0.6532%0.321SS*.Hα-helixtrans-65.6-48.6176.1-69.7174.3179.500111.8K134 Q135 I136 Y140 K141 L142K134-E138 PolarHBondContact O-N 2.92Å; K134-E138 VanDerWaalsContact O-N 3.14Å; Q135-E138 PolarHBondContact O-N 3.11Å; I136-E138 VanDerWaalsContact C-N 3.31Å; I136-E138 PolarHBondContact O-N 2.72Å; E138-Y140 VanDerWaalsContact C-N 3.35Å; E138-Y140 PolarHBondContact O-N 3.33Å; E138-K141 PolarHBondContact O-N 3.49Å; E138-L142 PolarHBondContact O-N 2.94Å
139A98.7Very high98.4Very high10 Ų1066 Ų668%0.08333%0.329CS..Hα-helixtrans-62.4-40.6178.200000112.1E101 A104 Q135 I136 K141 L142 F143E101-A139 HydrophobicContact CG-CB 4.1Å; A104-A139 HydrophobicContact CB-CB 4Å; Q135-A139 WeakPolarHBondContact O-CB 3.46Å; Q135-A139 PolarHBondContact O-N 3.35Å; I136-A139 PolarHBondContact O-N 3.43Å; A139-K141 PolarHBondContact O-N 3.2Å; A139-L142 PolarHBondContact O-N 2.85Å; A139-F143 VanDerWaalsContact O-CB 3.31Å; A139-F143 WeakPolarHBondContact O-CB 3.24Å; A139-F143 PolarHBondContact O-N 2.91Å
140Y98.8Very high98.5Very high1 Ų167.1 Ų67.10%0.00434%0.339CS..Hα-helixtrans-60.5-45.1175.9-168-83.1000111.6A104 L107 H108 M111 I136 E138 F143 T144 R146 L148 D151A104-Y140 HydrophobicContact CB-CD2 4.21Å; A104-Y140 WeakPolarHBondContact O-CD2 3.49Å; L107-Y140 HydrophobicContact CB-CD2 4.49Å; L107-Y140 HydrophobicContact CB-CE2 4.35Å; H108-Y140 HydrophobicContact CB-CD2 4.45Å; H108-Y140 HydrophobicContact CB-CE2 3.64Å; H108-Y140 PolarHBondContact ND1-OH 3.2Å; M111-Y140 HydrophobicContact CE-CE2 3.99Å; M111-Y140 WeakPolarHBondContact CE-OH 3.3Å; I136-Y140 VanDerWaalsContact O-CB 3.25Å; I136-Y140 WeakPolarHBondContact O-CB 3.4Å; I136-Y140 PolarHBondContact O-N 3.37Å; E138-Y140 VanDerWaalsContact C-N 3.35Å; E138-Y140 PolarHBondContact O-N 3.33Å; Y140-F143 PolarHBondContact O-N 3.42Å; Y140-T144 HydrophobicContact CD1-CG2 4.18Å; Y140-T144 WeakPolarHBondContact CD1-OG1 3.3Å; Y140-T144 HydrophobicContact CD2-CG2 4.48Å; Y140-T144 HydrophobicContact CE1-CG2 3.93Å; Y140-T144 WeakPolarHBondContact CE1-OG1 3.38Å; Y140-T144 HydrophobicContact CE2-CG2 4.25Å; Y140-T144 HydrophobicContact CG-CG2 4.45Å; Y140-T144 WeakPolarHBondContact O-CB 3.15Å; Y140-T144 PolarHBondContact O-N 2.91Å; Y140-T144 PolarHBondContact O-OG1 3.33Å; Y140-R146 HydrophobicContact CE1-CB 4.16Å; Y140-L148 HydrophobicContact CD1-CB 3.76Å; Y140-L148 HydrophobicContact CD1-CD1 4.48Å; Y140-L148 HydrophobicContact CD2-CB 4.32Å; Y140-L148 HydrophobicContact CD2-CD1 3.77Å; Y140-L148 HydrophobicContact CD2-CG 4.46Å; Y140-L148 HydrophobicContact CE1-CB 4.26Å; Y140-L148 HydrophobicContact CE1-CD1 4.47Å; Y140-L148 HydrophobicContact CE2-CD1 3.76Å; Y140-L148 HydrophobicContact CG-CB 3.8Å; Y140-L148 HydrophobicContact CG-CD1 4.15Å; Y140-L148 HydrophobicContact CG-CG 4.41Å; Y140-D151 VanDerWaalsContact CE1-OD2 3.25Å; Y140-D151 WeakPolarHBondContact CE1-OD2 3.26Å; Y140-D151 VanDerWaalsContact CZ-OD2 3.31Å; Y140-D151 PolarHBondContact OH-OD2 3.05Å
141K98.7Very high98.5Very high140 Ų14066.7 Ų66.761%0.60934%0.337SS*.Hα-helixtrans-64.2-41.3176.8-174.4179.4179.3-1780112K137 E138 A139 G145 R146K137-K141 PolarHBondContact O-N 3.34Å; K137-K141 VanDerWaalsContact O-N 3.15Å; E138-K141 PolarHBondContact O-N 3.49Å; A139-K141 PolarHBondContact O-N 3.2Å; K141-G145 WeakPolarHBondContact O-CA 3.15Å; K141-G145 PolarHBondContact O-N 3.47Å; K141-R146 VanDerWaalsContact CA-O 3.29Å; K141-R146 WeakPolarHBondContact CA-O 3.41Å
142L98.3Very high98.5Very high146 Ų14661 Ų6176%0.76431%0.311SS*.Hα-helixtrans-64.9-42.5177.6-17863.1000112E138 A139E138-L142 PolarHBondContact O-N 2.94Å; A139-L142 PolarHBondContact O-N 2.85Å
143F97.1Very high98.5Very high97 Ų9760.5 Ų60.543%0.42531%0.313SS..Hα-helixtrans-74.5-44.1-177.2171.8-117.3000113.1R105 H108 A139 Y140R105-F143 HydrophobicContact CG-CD1 3.92Å; R105-F143 HydrophobicContact CG-CD2 4.42Å; R105-F143 HydrophobicContact CG-CE1 3.76Å; R105-F143 HydrophobicContact CG-CE2 4.26Å; R105-F143 HydrophobicContact CG-CG 4.27Å; R105-F143 HydrophobicContact CG-CZ 3.94Å; H108-F143 HydrophobicContact CB-CE1 4.29Å; H108-F143 AromaticContact CD2-CE1 3.9Å; A139-F143 VanDerWaalsContact O-CB 3.31Å; A139-F143 WeakPolarHBondContact O-CB 3.24Å; A139-F143 PolarHBondContact O-N 2.91Å; Y140-F143 PolarHBondContact O-N 3.42Å
144T97.6Very high98.4Very high35 Ų3563.4 Ų63.422%0.21534%0.344CS..Hα-helixtrans-101.9-19.1-171.567.20000114.1H108 Y140 R146H108-T144 HydrophobicContact CB-CG2 4.23Å; Y140-T144 HydrophobicContact CD1-CG2 4.18Å; Y140-T144 WeakPolarHBondContact CD1-OG1 3.3Å; Y140-T144 HydrophobicContact CD2-CG2 4.48Å; Y140-T144 HydrophobicContact CE1-CG2 3.93Å; Y140-T144 WeakPolarHBondContact CE1-OG1 3.38Å; Y140-T144 HydrophobicContact CE2-CG2 4.25Å; Y140-T144 HydrophobicContact CG-CG2 4.45Å; Y140-T144 WeakPolarHBondContact O-CB 3.15Å; Y140-T144 PolarHBondContact O-N 2.91Å; Y140-T144 PolarHBondContact O-OG1 3.33Å; T144-R146 PolarHBondContact O-N 3.33Å; T144-R146 WeakPolarHBondContact OG1-CB 3.35Å; T144-R146 PolarHBondContact OG1-N 2.9Å
145G98.1Very high98.3Very high66 Ų6660.8 Ų60.868%0.6834%0.335SS*.SBendtrans71.10.4-165.200000114.4K141K141-G145 WeakPolarHBondContact O-CA 3.15Å; K141-G145 PolarHBondContact O-N 3.47Å
146R98.2Very high98.3Very high139 Ų13957.8 Ų57.853%0.52532%0.322SS..SBendtrans-106.1167-175.1-60.4171.964.5131.1-1.4111.7Y140 K141 T144 D151Y140-R146 HydrophobicContact CE1-CB 4.16Å; K141-R146 VanDerWaalsContact CA-O 3.29Å; K141-R146 WeakPolarHBondContact CA-O 3.41Å; T144-R146 PolarHBondContact O-N 3.33Å; T144-R146 WeakPolarHBondContact OG1-CB 3.35Å; T144-R146 PolarHBondContact OG1-N 2.9Å; R146-D151 IonicContact CZ-OD1 3.53Å; R146-D151 IonicContact CZ-OD2 2.79Å; R146-D151 VanDerWaalsContact NE-CG 3.31Å; R146-D151 IonicContact NE-OD1 3.74Å; R146-D151 PolarHBondContact NE-OD1 3.13Å; R146-D151 IonicContact NE-OD2 3.27Å; R146-D151 PolarHBondContact NE-OD2 3.27Å; R146-D151 IonicContact NH2-OD1 2.79Å; R146-D151 PolarHBondContact NH2-OD1 2.84Å; R146-D151 IonicContact NH2-OD2 2.92Å
147N98.3Very high98.2Very high89 Ų8962.3 Ų62.348%0.47635%0.353SS..  trans-95.4123.8175.2177.6-79.1000109.8E149 S150 D151N147-E149 PolarHBondContact O-N 3.12Å; N147-E149 WeakPolarHBondContact OD1-CA 3.21Å; N147-E149 WeakPolarHBondContact OD1-CB 3.35Å; N147-E149 PolarHBondContact OD1-N 2.92Å; N147-S150 WeakPolarHBondContact O-CB 3.38Å; N147-S150 PolarHBondContact O-N 3.34Å; N147-S150 PolarHBondContact OD1-N 3.41Å; N147-D151 PolarHBondContact O-N 2.87Å
148L98.7Very high98.1Very high2 Ų262 Ų621%0.0137%0.365CS..Hα-helixtrans-58.6-43.6-178.6175.258.5000112.9L107 M111 I136 K137 Y140 S150 D151 V152 L168L107-L148 HydrophobicContact CB-CD1 4.22Å; L107-L148 HydrophobicContact CD1-CD1 3.97Å; L107-L148 HydrophobicContact CD1-CD2 3.7Å; M111-L148 HydrophobicContact CE-CD1 3.77Å; I136-L148 HydrophobicContact CG2-CD2 3.89Å; K137-L148 HydrophobicContact CG-CB 4.39Å; K137-L148 HydrophobicContact CG-CD2 3.98Å; Y140-L148 HydrophobicContact CD1-CB 3.76Å; Y140-L148 HydrophobicContact CD1-CD1 4.48Å; Y140-L148 HydrophobicContact CD2-CB 4.32Å; Y140-L148 HydrophobicContact CD2-CD1 3.77Å; Y140-L148 HydrophobicContact CD2-CG 4.46Å; Y140-L148 HydrophobicContact CE1-CB 4.26Å; Y140-L148 HydrophobicContact CE1-CD1 4.47Å; Y140-L148 HydrophobicContact CE2-CD1 3.76Å; Y140-L148 HydrophobicContact CG-CB 3.8Å; Y140-L148 HydrophobicContact CG-CD1 4.15Å; Y140-L148 HydrophobicContact CG-CG 4.41Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 3.5Å; L148-D151 PolarHBondContact O-N 2.85Å; L148-V152 HydrophobicContact CD1-CG2 3.89Å; L148-V152 HydrophobicContact CG-CG2 4.43Å; L148-V152 WeakPolarHBondContact O-CB 3.42Å; L148-V152 WeakPolarHBondContact O-CG2 3.45Å; L148-V152 PolarHBondContact O-N 3.36Å; L148-L168 HydrophobicContact CD2-CD2 3.72Å; L148-L168 HydrophobicContact CG-CD1 4.41Å; L148-L168 HydrophobicContact CG-CD2 4.17Å
149E98.5Very high98.1Very high42 Ų4257.6 Ų57.620%0.19635%0.346CS..Hα-helixtrans-63.7-38.3178.8-74.9172.5-148.100111.6K137 N147 S153 I165 L168 Q169K137-E149 HydrophobicContact CD-CG 4.38Å; K137-E149 WeakPolarHBondContact CD-OE1 3.43Å; K137-E149 IonicContact NZ-OE1 3.49Å; K137-E149 PolarHBondContact NZ-OE1 3.12Å; N147-E149 PolarHBondContact O-N 3.12Å; N147-E149 WeakPolarHBondContact OD1-CA 3.21Å; N147-E149 WeakPolarHBondContact OD1-CB 3.35Å; N147-E149 PolarHBondContact OD1-N 2.92Å; E149-S153 WeakPolarHBondContact O-CB 3.21Å; E149-S153 PolarHBondContact O-N 3.11Å; E149-I165 HydrophobicContact CB-CD1 4.2Å; E149-I165 WeakPolarHBondContact O-CD1 3.49Å; E149-L168 HydrophobicContact CB-CD1 4.44Å; E149-L168 HydrophobicContact CG-CB 3.62Å; E149-L168 HydrophobicContact CG-CD1 3.71Å; E149-L168 HydrophobicContact CG-CG 4.21Å; E149-Q169 PolarHBondContact OE2-NE2 3.36Å; E149-Q169 VanDerWaalsContact OE2-NE2 3.11Å
150S98.4Very high98.1Very high76 Ų7657.9 Ų57.953%0.53135%0.345SS..Hα-helixtrans-63.9-43.2174.9-175.20000112.1N147 L148 S153 G154N147-S150 WeakPolarHBondContact O-CB 3.38Å; N147-S150 PolarHBondContact O-N 3.34Å; N147-S150 PolarHBondContact OD1-N 3.41Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 3.5Å; S150-S153 PolarHBondContact O-N 3.34Å; S150-G154 PolarHBondContact O-N 3.46Å; S150-G154 VanDerWaalsContact O-N 3.07Å
151D98.5Very high98.1Very high8 Ų860.7 Ų60.74%0.04336%0.357CS..Hα-helixtrans-66.4-48.6178.7-72.3-2.7000110.4M111 Y140 R146 N147 L148 S153 G154 D155M111-D151 HydrophobicContact CE-CB 3.91Å; M111-D151 HydrophobicContact SD-CB 4.08Å; Y140-D151 VanDerWaalsContact CE1-OD2 3.25Å; Y140-D151 WeakPolarHBondContact CE1-OD2 3.26Å; Y140-D151 VanDerWaalsContact CZ-OD2 3.31Å; Y140-D151 PolarHBondContact OH-OD2 3.05Å; R146-D151 IonicContact CZ-OD1 3.53Å; R146-D151 IonicContact CZ-OD2 2.79Å; R146-D151 VanDerWaalsContact NE-CG 3.31Å; R146-D151 IonicContact NE-OD1 3.74Å; R146-D151 PolarHBondContact NE-OD1 3.13Å; R146-D151 IonicContact NE-OD2 3.27Å; R146-D151 PolarHBondContact NE-OD2 3.27Å; R146-D151 IonicContact NH2-OD1 2.79Å; R146-D151 PolarHBondContact NH2-OD1 2.84Å; R146-D151 IonicContact NH2-OD2 2.92Å; N147-D151 PolarHBondContact O-N 2.87Å; L148-D151 PolarHBondContact O-N 2.85Å; D151-S153 VanDerWaalsContact C-N 3.29Å; D151-S153 PolarHBondContact O-N 2.85Å; D151-G154 PolarHBondContact O-N 3.05Å; D151-D155 WeakPolarHBondContact O-CB 3.42Å; D151-D155 PolarHBondContact O-N 3.35Å
152V98.6Very high98.1Very high0 Ų058.9 Ų58.90%035%0.351CS..Hα-helixtrans-57.9-41.8174.8168.90000111.8M111 L121 L148 G154 D155 T156 C164 I165 L168M111-V152 HydrophobicContact CE-CG2 4.14Å; M111-V152 HydrophobicContact SD-CB 4.34Å; M111-V152 HydrophobicContact SD-CG2 3.61Å; L121-V152 HydrophobicContact CD2-CG2 4.48Å; L148-V152 HydrophobicContact CD1-CG2 3.89Å; L148-V152 HydrophobicContact CG-CG2 4.43Å; L148-V152 WeakPolarHBondContact O-CB 3.42Å; L148-V152 WeakPolarHBondContact O-CG2 3.45Å; L148-V152 PolarHBondContact O-N 3.36Å; V152-G154 VanDerWaalsContact C-N 3.27Å; V152-G154 PolarHBondContact O-N 2.84Å; V152-D155 PolarHBondContact O-N 3.08Å; V152-T156 HydrophobicContact CG1-CG2 4.42Å; V152-T156 WeakPolarHBondContact O-CB 3.47Å; V152-T156 PolarHBondContact O-N 3.11Å; V152-T156 PolarHBondContact O-OG1 2.99Å; V152-C164 HydrophobicContact CG1-CB 3.58Å; V152-I165 HydrophobicContact CG1-CD1 4.21Å; V152-L168 HydrophobicContact CB-CD1 4.1Å; V152-L168 HydrophobicContact CG1-CD1 4.14Å; V152-L168 HydrophobicContact CG2-CD1 4.01Å
153S98.2Very high98.1Very high41 Ų4151.9 Ų51.929%0.28732%0.315SS..Hα-helixtrans-66-27.3178-174.70000113.7E149 S150 D151 K161E149-S153 WeakPolarHBondContact O-CB 3.21Å; E149-S153 PolarHBondContact O-N 3.11Å; S150-S153 PolarHBondContact O-N 3.34Å; D151-S153 VanDerWaalsContact C-N 3.29Å; D151-S153 PolarHBondContact O-N 2.85Å; S153-K161 WeakPolarHBondContact O-CD 3.47Å; S153-K161 PolarHBondContact O-NZ 2.77Å; S153-K161 WeakPolarHBondContact OG-CE 3.36Å; S153-K161 PolarHBondContact OG-NZ 2.88Å
154G97.5Very high98.1Very high66 Ų6647.4 Ų47.468%0.6830%0.295SS*.Hα-helixtrans-84.8-33.7177.500000113.4S150 D151 V152S150-G154 PolarHBondContact O-N 3.46Å; S150-G154 VanDerWaalsContact O-N 3.07Å; D151-G154 PolarHBondContact O-N 3.05Å; V152-G154 VanDerWaalsContact C-N 3.27Å; V152-G154 PolarHBondContact O-N 2.84Å
155D97.6Very high98.2Very high52 Ų5247.8 Ų47.828%0.27830%0.296SS..Hα-helixtrans-87.3-20.1-178.5-89.5-98.6000113.8M111 T116 D151 V152M111-D155 HydrophobicContact CB-CB 4.38Å; M111-D155 HydrophobicContact CG-CB 4.07Å; M111-D155 HydrophobicContact SD-CB 4.24Å; T116-D155 HydrophobicContact CG2-CB 4.24Å; T116-D155 WeakPolarHBondContact OG1-CB 3.38Å; T116-D155 PolarHBondContact OG1-O 3.01Å; T116-D155 PolarHBondContact OG1-OD1 2.93Å; D151-D155 WeakPolarHBondContact O-CB 3.42Å; D151-D155 PolarHBondContact O-N 3.35Å; V152-D155 PolarHBondContact O-N 3.08Å
156T97.4Very high98.2Very high12 Ų1246 Ų467%0.07428%0.275CS..  trans-114.9161.4-179.466.60000112.3L121 V152 F160 K161L121-T156 HydrophobicContact CD1-CG2 3.73Å; V152-T156 HydrophobicContact CG1-CG2 4.42Å; V152-T156 WeakPolarHBondContact O-CB 3.47Å; V152-T156 PolarHBondContact O-N 3.11Å; V152-T156 PolarHBondContact O-OG1 2.99Å; T156-F160 HydrophobicContact CG2-CD1 3.94Å; T156-F160 HydrophobicContact CG2-CE1 3.63Å; T156-K161 WeakPolarHBondContact O-CD 3.44Å; T156-K161 VanDerWaalsContact OG1-CA 3.32Å; T156-K161 WeakPolarHBondContact OG1-CA 3.38Å; T156-K161 WeakPolarHBondContact OG1-CB 3.26Å
157S97.4Very high98.2Very high96 Ų9640 Ų4067%0.67125%0.253SS*.  trans-137.6164.8179.963.20000113.2K161S157-K161 PolarHBondContact O-N 2.95Å
158G97.5Very high98.2Very high45 Ų4535.8 Ų35.846%0.46423%0.23SC..Hα-helixtrans59.9-147.7173.100000113.8F160 K161 H162G158-F160 VanDerWaalsContact C-N 3.3Å; G158-F160 PolarHBondContact O-N 2.85Å; G158-K161 WeakPolarHBondContact O-CB 3.18Å; G158-K161 PolarHBondContact O-N 2.73Å; G158-H162 PolarHBondContact O-N 3.4Å; G158-H162 VanDerWaalsContact O-N 3.16Å
159D98Very high98.2Very high47 Ų4740 Ų4025%0.25125%0.25SC..Hα-helixtrans-70-26.1-176.7-66.3-47.5000113.7K161 H162 L163 E202 I206 L244D159-K161 VanDerWaalsContact C-N 3.34Å; D159-H162 PolarHBondContact O-N 3.43Å; D159-H162 IonicContact OD1-ND1 3.81Å; D159-H162 PolarHBondContact OD1-ND1 3.42Å; D159-L163 WeakPolarHBondContact O-CB 3.43Å; D159-L163 PolarHBondContact O-N 3.16Å; D159-E202 HydrophobicContact CB-CB 4.14Å; D159-I206 HydrophobicContact CB-CD1 3.92Å; D159-I206 WeakPolarHBondContact O-CD1 3.46Å; D159-L244 HydrophobicContact CB-CD1 4.39Å; D159-L244 HydrophobicContact CB-CD2 3.77Å
160F98.4Very high98.2Very high15 Ų1538.1 Ų38.17%0.06624%0.242CC..Hα-helixtrans-62.1-44171.1178.8-119000111.2E118 L121 I122 T156 G158 H162 L163 C164 N243 A247E118-F160 HydrophobicContact CB-CE1 3.8Å; E118-F160 HydrophobicContact CB-CZ 3.86Å; E118-F160 HydrophobicContact CG-CD1 4.38Å; E118-F160 HydrophobicContact CG-CE1 3.58Å; E118-F160 HydrophobicContact CG-CZ 4.17Å; L121-F160 HydrophobicContact CB-CZ 4.46Å; L121-F160 HydrophobicContact CD1-CE1 4.48Å; I122-F160 HydrophobicContact CD1-CE2 3.95Å; I122-F160 HydrophobicContact CD1-CZ 4.23Å; I122-F160 HydrophobicContact CG1-CE2 3.63Å; I122-F160 HydrophobicContact CG1-CZ 3.88Å; T156-F160 HydrophobicContact CG2-CD1 3.94Å; T156-F160 HydrophobicContact CG2-CE1 3.63Å; G158-F160 VanDerWaalsContact C-N 3.3Å; G158-F160 PolarHBondContact O-N 2.85Å; F160-H162 PolarHBondContact O-N 2.63Å; F160-L163 PolarHBondContact O-N 3.3Å; F160-C164 VanDerWaalsContact CE2-SG 3.54Å; F160-C164 VanDerWaalsContact CZ-SG 3.51Å; F160-C164 PolarHBondContact O-N 3.47Å; F160-C164 PolarHBondContact O-SG 3.33Å; F160-N243 HydrophobicContact CB-CB 4.2Å; F160-N243 HydrophobicContact CD1-CB 3.74Å; F160-N243 HydrophobicContact CD2-CB 3.68Å; F160-N243 HydrophobicContact CE1-CB 4Å; F160-N243 HydrophobicContact CE2-CB 3.95Å; F160-N243 HydrophobicContact CG-CB 3.58Å; F160-N243 HydrophobicContact CZ-CB 4.1Å; F160-A247 HydrophobicContact CD2-CB 4.3Å; F160-A247 HydrophobicContact CE2-CB 4.07Å
161K98.5Very high98.1Very high60 Ų6038.8 Ų38.826%0.26125%0.246SC..Hα-helixtrans-58.5-47.5171.8169.5175.6155.2162.80111.9S153 T156 S157 G158 D159 L163 C164 I165S153-K161 WeakPolarHBondContact O-CD 3.47Å; S153-K161 PolarHBondContact O-NZ 2.77Å; S153-K161 WeakPolarHBondContact OG-CE 3.36Å; S153-K161 PolarHBondContact OG-NZ 2.88Å; T156-K161 WeakPolarHBondContact O-CD 3.44Å; T156-K161 VanDerWaalsContact OG1-CA 3.32Å; T156-K161 WeakPolarHBondContact OG1-CA 3.38Å; T156-K161 WeakPolarHBondContact OG1-CB 3.26Å; S157-K161 PolarHBondContact O-N 2.95Å; G158-K161 WeakPolarHBondContact O-CB 3.18Å; G158-K161 PolarHBondContact O-N 2.73Å; D159-K161 VanDerWaalsContact C-N 3.34Å; K161-L163 VanDerWaalsContact C-N 3.29Å; K161-L163 PolarHBondContact O-N 3.35Å; K161-C164 PolarHBondContact O-N 2.91Å; K161-I165 HydrophobicContact CG-CG1 4.29Å; K161-I165 WeakPolarHBondContact O-CG1 3.22Å; K161-I165 PolarHBondContact O-N 2.63Å
162H98.2Very high98Very high102 Ų10239.6 Ų39.647%0.47225%0.248SC..Hα-helixtrans-57.7-43.6179.1-63.2149.7000111.8G158 D159 F160 A166 I206G158-H162 PolarHBondContact O-N 3.4Å; G158-H162 VanDerWaalsContact O-N 3.16Å; D159-H162 PolarHBondContact O-N 3.43Å; D159-H162 IonicContact OD1-ND1 3.81Å; D159-H162 PolarHBondContact OD1-ND1 3.42Å; F160-H162 PolarHBondContact O-N 2.63Å; H162-A166 VanDerWaalsContact O-CB 3.3Å; H162-A166 WeakPolarHBondContact O-CB 3.38Å; H162-A166 PolarHBondContact O-N 2.85Å; H162-I206 HydrophobicContact CB-CD1 4.19Å
163L98.6Very high98Very high0 Ų042.7 Ų42.70%027%0.265CS..Hα-helixtrans-60.7-49.9174.9-18071.6000111.8D159 F160 K161 I165 A166 L167 I206 V210 L244 A247 L248 I251D159-L163 WeakPolarHBondContact O-CB 3.43Å; D159-L163 PolarHBondContact O-N 3.16Å; F160-L163 PolarHBondContact O-N 3.3Å; K161-L163 VanDerWaalsContact C-N 3.29Å; K161-L163 PolarHBondContact O-N 3.35Å; L163-I165 PolarHBondContact O-N 3.47Å; L163-A166 PolarHBondContact O-N 3.21Å; L163-L167 HydrophobicContact CD1-CD1 4.48Å; L163-L167 HydrophobicContact CG-CD1 4.15Å; L163-L167 WeakPolarHBondContact O-CG 3.46Å; L163-L167 PolarHBondContact O-N 3.14Å; L163-I206 HydrophobicContact CB-CD1 4.22Å; L163-I206 HydrophobicContact CB-CG1 4.19Å; L163-I206 HydrophobicContact CB-CG2 4.48Å; L163-I206 HydrophobicContact CD1-CG1 4.18Å; L163-I206 HydrophobicContact CD1-CG2 4.13Å; L163-V210 HydrophobicContact CD1-CG1 3.45Å; L163-V210 VanDerWaalsContact CD1-CG1 3.45Å; L163-L244 HydrophobicContact CB-CD1 4.35Å; L163-L244 HydrophobicContact CD2-CD1 4.11Å; L163-A247 HydrophobicContact CD2-CB 3.25Å; L163-L248 HydrophobicContact CD1-CD2 4.14Å; L163-L248 HydrophobicContact CD2-CD2 4.32Å; L163-L248 HydrophobicContact CD2-CG 4.46Å; L163-I251 HydrophobicContact CD1-CD1 4.33Å
164C98.8Very high97.9Very high3 Ų344.2 Ų44.22%0.0227%0.268CS..Hα-helixtrans-60.7-43.7-179.1-68.80000112.2L125 V152 F160 K161 A166 L167 L168L125-C164 HydrophobicContact CD1-CB 3.83Å; V152-C164 HydrophobicContact CG1-CB 3.58Å; F160-C164 VanDerWaalsContact CE2-SG 3.54Å; F160-C164 VanDerWaalsContact CZ-SG 3.51Å; F160-C164 PolarHBondContact O-N 3.47Å; F160-C164 PolarHBondContact O-SG 3.33Å; K161-C164 PolarHBondContact O-N 2.91Å; C164-A166 VanDerWaalsContact C-N 3.35Å; C164-L167 PolarHBondContact O-N 2.66Å; C164-L168 WeakPolarHBondContact O-CB 3.47Å; C164-L168 WeakPolarHBondContact O-CG 3.4Å; C164-L168 PolarHBondContact O-N 2.96Å
165I98.6Very high97.8Very high43 Ų4343.1 Ų43.122%0.22125%0.25CC..Hα-helixtrans-65.6-39.1177.5-63-58.9000111.4E149 V152 K161 L163 L168 Q169E149-I165 HydrophobicContact CB-CD1 4.2Å; E149-I165 WeakPolarHBondContact O-CD1 3.49Å; V152-I165 HydrophobicContact CG1-CD1 4.21Å; K161-I165 HydrophobicContact CG-CG1 4.29Å; K161-I165 WeakPolarHBondContact O-CG1 3.22Å; K161-I165 PolarHBondContact O-N 2.63Å; L163-I165 PolarHBondContact O-N 3.47Å; I165-L168 PolarHBondContact O-N 2.73Å; I165-Q169 WeakPolarHBondContact O-CG 3.35Å; I165-Q169 PolarHBondContact O-N 3.08Å; I165-Q169 PolarHBondContact O-NE2 3.16Å; I165-Q169 VanDerWaalsContact O-NE2 3.13Å
166A98.4Very high97.7Very high29 Ų2944.9 Ų44.924%0.2426%0.262CS..Hα-helixtrans-64.9-42.6176.100000112.3H162 L163 C164 L168 Q169 V210H162-A166 VanDerWaalsContact O-CB 3.3Å; H162-A166 WeakPolarHBondContact O-CB 3.38Å; H162-A166 PolarHBondContact O-N 2.85Å; L163-A166 PolarHBondContact O-N 3.21Å; C164-A166 VanDerWaalsContact C-N 3.35Å; A166-L168 VanDerWaalsContact C-N 3.33Å; A166-L168 PolarHBondContact O-N 3.04Å; A166-Q169 WeakPolarHBondContact O-CB 3.38Å; A166-Q169 PolarHBondContact O-N 3.34Å; A166-V210 HydrophobicContact CB-CB 4.13Å; A166-V210 HydrophobicContact CB-CG1 3.88Å; A166-V210 HydrophobicContact CB-CG2 3.96Å
167L98.5Very high97.6Very high12 Ų1250.9 Ų50.96%0.06329%0.289CS..Hα-helixtrans-61-42.9173.4-71.6169.2000111.5L125 L133 L163 C164 Q169 A170 V210 I251L125-L167 HydrophobicContact CB-CB 4.43Å; L125-L167 HydrophobicContact CB-CD1 4.02Å; L133-L167 WeakPolarHBondContact CD1-O 3.35Å; L163-L167 HydrophobicContact CD1-CD1 4.48Å; L163-L167 HydrophobicContact CG-CD1 4.15Å; L163-L167 WeakPolarHBondContact O-CG 3.46Å; L163-L167 PolarHBondContact O-N 3.14Å; C164-L167 PolarHBondContact O-N 2.66Å; L167-Q169 PolarHBondContact O-N 2.76Å; L167-Q169 VanDerWaalsContact O-N 3.17Å; L167-A170 PolarHBondContact O-N 2.69Å; L167-V210 HydrophobicContact CD2-CG1 4.17Å; L167-V210 HydrophobicContact CG-CG1 4.21Å; L167-I251 HydrophobicContact CD2-CD1 4.44Å
168L98.7Very high97.6Very high0 Ų048.4 Ų48.40%027%0.27CS..Hα-helixtrans-64.4-17.8178.6-76.2168.3000113.5L125 K137 L148 E149 V152 C164 I165 A166 A170L125-L168 HydrophobicContact CD1-CD1 4.43Å; L125-L168 HydrophobicContact CD1-CG 4.37Å; L125-L168 HydrophobicContact CD2-CD2 3.57Å; L125-L168 HydrophobicContact CD2-CG 3.98Å; K137-L168 HydrophobicContact CD-CD2 4.33Å; K137-L168 WeakPolarHBondContact CE-O 3.33Å; K137-L168 HydrophobicContact CG-CD2 4.31Å; K137-L168 PolarHBondContact NZ-O 3.27Å; L148-L168 HydrophobicContact CD2-CD2 3.72Å; L148-L168 HydrophobicContact CG-CD1 4.41Å; L148-L168 HydrophobicContact CG-CD2 4.17Å; E149-L168 HydrophobicContact CB-CD1 4.44Å; E149-L168 HydrophobicContact CG-CB 3.62Å; E149-L168 HydrophobicContact CG-CD1 3.71Å; E149-L168 HydrophobicContact CG-CG 4.21Å; V152-L168 HydrophobicContact CB-CD1 4.1Å; V152-L168 HydrophobicContact CG1-CD1 4.14Å; V152-L168 HydrophobicContact CG2-CD1 4.01Å; C164-L168 WeakPolarHBondContact O-CB 3.47Å; C164-L168 WeakPolarHBondContact O-CG 3.4Å; C164-L168 PolarHBondContact O-N 2.96Å; I165-L168 PolarHBondContact O-N 2.73Å; A166-L168 VanDerWaalsContact C-N 3.33Å; A166-L168 PolarHBondContact O-N 3.04Å; L168-A170 PolarHBondContact O-N 2.93Å; L168-A170 VanDerWaalsContact O-N 3.15Å
169Q98.3Very high97.6Very high91 Ų9149.6 Ų49.643%0.42527%0.266SS..THydrogen-bonded Turntrans-63.2-17.3170.5-59.2-46.6-60.900112.8E149 I165 A166 L167 S171E149-Q169 PolarHBondContact OE2-NE2 3.36Å; E149-Q169 VanDerWaalsContact OE2-NE2 3.11Å; I165-Q169 WeakPolarHBondContact O-CG 3.35Å; I165-Q169 PolarHBondContact O-N 3.08Å; I165-Q169 PolarHBondContact O-NE2 3.16Å; I165-Q169 VanDerWaalsContact O-NE2 3.13Å; A166-Q169 WeakPolarHBondContact O-CB 3.38Å; A166-Q169 PolarHBondContact O-N 3.34Å; L167-Q169 PolarHBondContact O-N 2.76Å; L167-Q169 VanDerWaalsContact O-N 3.17Å; Q169-S171 VanDerWaalsContact C-N 3.29Å; Q169-S171 PolarHBondContact O-N 3.24Å
170A97.8Very high97.6Very high3 Ų352.7 Ų52.73%0.02528%0.282CS..  trans52.548.117300000112.3N130 L133 K134 L167 L168N130-A170 HydrophobicContact CB-CB 4.22Å; N130-A170 WeakPolarHBondContact CB-O 3.5Å; N130-A170 VanDerWaalsContact CG-C 3.4Å; N130-A170 VanDerWaalsContact CG-O 3.32Å; N130-A170 WeakPolarHBondContact OD1-CA 3.15Å; N130-A170 PolarHBondContact OD1-O 2.9Å; L133-A170 HydrophobicContact CB-CB 3.97Å; K134-A170 HydrophobicContact CD-CB 4.45Å; K134-A170 WeakPolarHBondContact CE-O 3.39Å; K134-A170 HydrophobicContact CG-CB 3.86Å; L167-A170 PolarHBondContact O-N 2.69Å; L168-A170 PolarHBondContact O-N 2.93Å; L168-A170 VanDerWaalsContact O-N 3.15Å
171S97.1Very high97.5Very high89 Ų8959 Ų5962%0.62231%0.311SS*.  trans-131.316.5-17558.70000113.3N130 Q169N130-S171 PolarHBondContact OD1-N 3.38Å; Q169-S171 VanDerWaalsContact C-N 3.29Å; Q169-S171 PolarHBondContact O-N 3.24Å
172R96Very high97.5Very high25 Ų2558.8 Ų58.89%0.09431%0.313CS..  trans-64.6143.8176.4-172.1173.867.1-168.5-8.4109.6N130 E174 V210 R212N130-R172 PolarHBondContact ND2-O 2.82Å; N130-R172 PolarHBondContact OD1-N 2.87Å; R172-E174 PolarHBondContact O-N 3.3Å; R172-V210 WeakPolarHBondContact CA-O 3.22Å; R172-V210 VanDerWaalsContact CB-O 3.3Å; R172-V210 WeakPolarHBondContact CB-O 3.3Å; R172-V210 WeakPolarHBondContact CG-O 3.42Å; R172-R212 VanDerWaalsContact CD-O 3.3Å; R172-R212 WeakPolarHBondContact CD-O 3.43Å; R172-R212 WeakPolarHBondContact CG-O 3.41Å
173D97.8Very high97.5Very high65 Ų6553.9 Ų53.935%0.34829%0.29SS..  trans-59134.5168.3-176.817.3000110S175 S211 S213D173-S175 WeakPolarHBondContact OD1-CB 3.45Å; D173-S175 PolarHBondContact OD1-N 3.37Å; D173-S175 PolarHBondContact OD1-OG 3.22Å; D173-S175 VanDerWaalsContact OD1-OG 3.11Å; D173-S175 PolarHBondContact OD2-OG 3.03Å; D173-S211 VanDerWaalsContact CB-O 3.3Å; D173-S211 WeakPolarHBondContact CB-O 3.36Å; D173-S211 PolarHBondContact N-O 3.29Å; D173-S213 WeakPolarHBondContact O-CA 3.28Å; D173-S213 WeakPolarHBondContact O-CB 3.4Å
174E95.9Very high97.5Very high74 Ų7457.8 Ų57.835%0.34631%0.308SS..  trans-122.214177.6-68.5179.6139.800111T129 N130 R172T129-E174 WeakPolarHBondContact CA-OE1 3.49Å; T129-E174 WeakPolarHBondContact CB-OE1 3.31Å; N130-E174 PolarHBondContact N-OE1 3.48Å; N130-E174 PolarHBondContact ND2-OE2 3.46Å; R172-E174 PolarHBondContact O-N 3.3Å
175S96.1Very high97.5Very high43 Ų4364 Ų6430%0.30134%0.335SS..  trans-72.3144.6176.382.10000111.7D173 H177 S213D173-S175 WeakPolarHBondContact OD1-CB 3.45Å; D173-S175 PolarHBondContact OD1-N 3.37Å; D173-S175 PolarHBondContact OD1-OG 3.22Å; D173-S175 VanDerWaalsContact OD1-OG 3.11Å; D173-S175 PolarHBondContact OD2-OG 3.03Å; S175-H177 PolarHBondContact O-N 2.8Å; S175-S213 WeakPolarHBondContact O-CB 3.34Å; S175-S213 PolarHBondContact O-OG 3.28Å
176T95.3Very high97.5Very high89 Ų8962.4 Ų62.455%0.54633%0.327SS..SBendtrans-840.1173.263.50000112.5
177H95.8Very high97.5Very high138 Ų13861 Ų6164%0.63932%0.315SS*.  trans-78.5136.7178.3-179.973.5000109.5S175S175-H177 PolarHBondContact O-N 2.8Å
178V97.2Very high97.5Very high44 Ų4463.7 Ų63.727%0.26733%0.327SS..  trans-123.3115.4-179.5179.60000109.3L180 E215 A219V178-L180 HydrophobicContact CG1-CD2 3.91Å; V178-L180 PolarHBondContact O-N 3.32Å; V178-E215 HydrophobicContact CG2-CB 3.65Å; V178-A219 HydrophobicContact CG1-CB 3.5Å; V178-A219 VanDerWaalsContact CG1-CB 3.5Å
179D97.3Very high97.5Very high70 Ų7065.2 Ų65.237%0.37434%0.34SS..  trans-84.4102.5166.7179-15.1000108.8Q181 L182 A183D179-Q181 VanDerWaalsContact C-N 3.29Å; D179-Q181 PolarHBondContact O-N 3.27Å; D179-Q181 WeakPolarHBondContact OD1-CA 3.34Å; D179-Q181 WeakPolarHBondContact OD1-CB 3.24Å; D179-Q181 PolarHBondContact OD1-N 3.2Å; D179-L182 HydrophobicContact CB-CB 3.87Å; D179-L182 PolarHBondContact O-N 3.48Å; D179-L182 PolarHBondContact OD1-N 3.32Å; D179-A183 WeakPolarHBondContact O-CB 3.19Å; D179-A183 PolarHBondContact O-N 3.41Å
180L97.4Very high97.5Very high112 Ų11260.9 Ų60.959%0.58632%0.32SS*.Hα-helixtrans-64.8-30.3-178.8-65.7176.3000113.1V178 A183 H184 A219V178-L180 HydrophobicContact CG1-CD2 3.91Å; V178-L180 PolarHBondContact O-N 3.32Å; L180-A183 PolarHBondContact O-N 3.15Å; L180-H184 WeakPolarHBondContact O-CB 3.23Å; L180-H184 PolarHBondContact O-N 3.25Å; L180-A219 HydrophobicContact CD2-CB 4.3Å
181Q98.1Very high97.5Very high146 Ų14663.7 Ų63.768%0.68233%0.33SS*.Hα-helixtrans-71.2-40.3176.7-65.6-173.8-11.100110.5D179 K185D179-Q181 VanDerWaalsContact C-N 3.29Å; D179-Q181 PolarHBondContact O-N 3.27Å; D179-Q181 WeakPolarHBondContact OD1-CA 3.34Å; D179-Q181 WeakPolarHBondContact OD1-CB 3.24Å; D179-Q181 PolarHBondContact OD1-N 3.2Å; Q181-K185 WeakPolarHBondContact O-CG 3.33Å; Q181-K185 PolarHBondContact O-N 3.37Å
182L98.3Very high97.6Very high56 Ų5662.7 Ų62.729%0.29332%0.316SS..Hα-helixtrans-66.9-39.3173-179.762000111.4D179 H184 K185 D186D179-L182 HydrophobicContact CB-CB 3.87Å; D179-L182 PolarHBondContact O-N 3.48Å; D179-L182 PolarHBondContact OD1-N 3.32Å; L182-H184 VanDerWaalsContact C-N 3.32Å; L182-H184 PolarHBondContact O-N 2.87Å; L182-K185 PolarHBondContact O-N 3.19Å; L182-D186 WeakPolarHBondContact O-CB 3.31Å; L182-D186 PolarHBondContact O-N 2.86Å
183A98.4Very high97.6Very high0 Ų061.8 Ų61.80%031%0.314CS..Hα-helixtrans-60.1-42.517600000111.8D179 L180 D186 A187 H216 A219 V220 E223D179-A183 WeakPolarHBondContact O-CB 3.19Å; D179-A183 PolarHBondContact O-N 3.41Å; L180-A183 PolarHBondContact O-N 3.15Å; A183-D186 PolarHBondContact O-N 3.32Å; A183-A187 WeakPolarHBondContact O-CB 3.34Å; A183-A187 PolarHBondContact O-N 3.33Å; A183-H216 PolarHBondContact N-CE1 3.48Å; A183-A219 HydrophobicContact CB-CB 3.85Å; A183-V220 HydrophobicContact CB-CG2 4.08Å; A183-E223 HydrophobicContact CB-CG 4.46Å
184H98.4Very high97.6Very high81 Ų8158.7 Ų58.738%0.37530%0.297SS..Hα-helixtrans-63.2-44173.4-176.179.7000112.3L180 L182 D186 A187 E188 E223L180-H184 WeakPolarHBondContact O-CB 3.23Å; L180-H184 PolarHBondContact O-N 3.25Å; L182-H184 VanDerWaalsContact C-N 3.32Å; L182-H184 PolarHBondContact O-N 2.87Å; H184-D186 PolarHBondContact O-N 2.97Å; H184-A187 WeakPolarHBondContact O-CB 3.3Å; H184-A187 PolarHBondContact O-N 3.4Å; H184-E188 PolarHBondContact O-N 3.47Å; H184-E223 HydrophobicContact CB-CG 4.21Å; H184-E223 IonicContact CG-OE2 2.88Å; H184-E223 IonicContact ND1-OE2 3.74Å; H184-E223 PolarHBondContact ND1-OE2 3.46Å
185K98.6Very high97.6Very high134 Ų13457.5 Ų57.558%0.58329%0.291SS*.Hα-helixtrans-63.5-39.9176-73.9174.3-176.5173.90112.9Q181 L182 E188 A189Q181-K185 WeakPolarHBondContact O-CG 3.33Å; Q181-K185 PolarHBondContact O-N 3.37Å; L182-K185 PolarHBondContact O-N 3.19Å; K185-E188 PolarHBondContact O-N 2.95Å; K185-A189 WeakPolarHBondContact O-CB 3.48Å; K185-A189 PolarHBondContact O-N 3.39Å
186D98.6Very high97.4Very high10 Ų1061.2 Ų61.25%0.05330%0.302CS..Hα-helixtrans-66.2-41.2176-74.1-26.9000110.2L182 A183 H184 A189 L190 I208 R212 H216 V220L182-D186 WeakPolarHBondContact O-CB 3.31Å; L182-D186 PolarHBondContact O-N 2.86Å; A183-D186 PolarHBondContact O-N 3.32Å; H184-D186 PolarHBondContact O-N 2.97Å; D186-A189 PolarHBondContact O-N 2.91Å; D186-L190 VanDerWaalsContact O-CG 3.29Å; D186-L190 WeakPolarHBondContact O-CG 3.46Å; D186-L190 PolarHBondContact O-N 2.95Å; D186-I208 HydrophobicContact CB-CD1 4.2Å; D186-I208 HydrophobicContact CB-CG2 4.24Å; D186-R212 IonicContact OD1-CZ 3.72Å; D186-R212 IonicContact OD1-NE 2.77Å; D186-R212 IonicContact OD1-NH2 2.86Å; D186-R212 PolarHBondContact OD1-NH2 3.02Å; D186-R212 IonicContact OD2-CZ 2.74Å; D186-R212 IonicContact OD2-NE 3.86Å; D186-R212 PolarHBondContact OD2-NE 2.83Å; D186-R212 IonicContact OD2-NH2 3.74Å; D186-R212 PolarHBondContact OD2-NH2 3.27Å; D186-H216 IonicContact OD2-CD2 3.03Å; D186-H216 IonicContact OD2-CE1 3.64Å; D186-H216 IonicContact OD2-NE2 3.36Å; D186-H216 PolarHBondContact OD2-NE2 3.37Å; D186-V220 HydrophobicContact CB-CG1 4.47Å; D186-V220 HydrophobicContact CB-CG2 3.84Å
187A98.5Very high97.4Very high0 Ų061.3 Ų61.30%030%0.295CS..Hα-helixtrans-60.3-46174.100000112.2A183 H184 A189 L190 Y191 V220 E223 Y224 V227A183-A187 WeakPolarHBondContact O-CB 3.34Å; A183-A187 PolarHBondContact O-N 3.33Å; H184-A187 WeakPolarHBondContact O-CB 3.3Å; H184-A187 PolarHBondContact O-N 3.4Å; A187-A189 PolarHBondContact O-N 2.95Å; A187-L190 PolarHBondContact O-N 3.05Å; A187-Y191 PolarHBondContact O-N 3.01Å; A187-V220 HydrophobicContact CB-CG1 4.25Å; A187-E223 HydrophobicContact CB-CB 3.82Å; A187-Y224 HydrophobicContact CB-CD2 4.33Å; A187-V227 HydrophobicContact CB-CG2 4.42Å
188E98.4Very high97Very high68 Ų6866.7 Ų66.732%0.31831%0.31SS..Hα-helixtrans-59.7-45.3173.3-17563.4-146.200111.2H184 K185 L190 Y191 Q192 V227H184-E188 PolarHBondContact O-N 3.47Å; K185-E188 PolarHBondContact O-N 2.95Å; E188-L190 VanDerWaalsContact C-N 3.33Å; E188-L190 PolarHBondContact O-N 2.98Å; E188-Y191 PolarHBondContact O-N 2.55Å; E188-Q192 HydrophobicContact CG-CG 4.42Å; E188-Q192 VanDerWaalsContact O-CG 3.27Å; E188-Q192 WeakPolarHBondContact O-CG 3.36Å; E188-Q192 PolarHBondContact O-N 3.04Å; E188-Q192 PolarHBondContact OE1-NE2 2.84Å; E188-V227 WeakPolarHBondContact OE2-CG1 3.47Å
189A98.4Very high96.8Very high32 Ų3266.5 Ų66.526%0.26432%0.317SS..Hα-helixtrans-60.6-40.9178.200000112.5K185 D186 A187 Q192 A193 I208K185-A189 WeakPolarHBondContact O-CB 3.48Å; K185-A189 PolarHBondContact O-N 3.39Å; D186-A189 PolarHBondContact O-N 2.91Å; A187-A189 PolarHBondContact O-N 2.95Å; A189-Q192 PolarHBondContact O-N 3.35Å; A189-A193 WeakPolarHBondContact O-CB 3.31Å; A189-A193 PolarHBondContact O-N 3.42Å; A189-I208 HydrophobicContact CB-CD1 4.15Å
190L98.4Very high96.7Very high0 Ų064.2 Ų64.20%031%0.305CS..Hα-helixtrans-65.9-39.5175-67.4173.6000111.9D186 A187 E188 A193 G194 F205 I208 F209 V220 Y224 L232D186-L190 VanDerWaalsContact O-CG 3.29Å; D186-L190 WeakPolarHBondContact O-CG 3.46Å; D186-L190 PolarHBondContact O-N 2.95Å; A187-L190 PolarHBondContact O-N 3.05Å; E188-L190 VanDerWaalsContact C-N 3.33Å; E188-L190 PolarHBondContact O-N 2.98Å; L190-A193 PolarHBondContact O-N 3.22Å; L190-G194 PolarHBondContact O-N 2.83Å; L190-F205 HydrophobicContact CB-CE1 4.31Å; L190-F205 HydrophobicContact CB-CZ 4.45Å; L190-F205 HydrophobicContact CD2-CB 4.35Å; L190-F205 HydrophobicContact CD2-CD1 3.53Å; L190-F205 HydrophobicContact CD2-CD2 4.35Å; L190-F205 HydrophobicContact CD2-CE1 3.8Å; L190-F205 HydrophobicContact CD2-CG 3.83Å; L190-F205 HydrophobicContact CD2-CZ 4.31Å; L190-I208 HydrophobicContact CD2-CB 4.45Å; L190-I208 HydrophobicContact CD2-CD1 3.75Å; L190-I208 HydrophobicContact CG-CD1 3.83Å; L190-F209 HydrophobicContact CD1-CE2 3.97Å; L190-F209 HydrophobicContact CD2-CE2 4.14Å; L190-V220 HydrophobicContact CD1-CG1 3.73Å; L190-Y224 HydrophobicContact CB-CD2 4.24Å; L190-Y224 HydrophobicContact CB-CE2 3.77Å; L190-L232 HydrophobicContact CD1-CD1 3.97Å; L190-L232 HydrophobicContact CD1-CD2 4.16Å
191Y97.9Very high96.7Very high61 Ų6161.5 Ų61.524%0.23929%0.292CS..Hα-helixtrans-65-42.7175.4175.3-113.2000112.3A187 E188 A193 G194 E195 K196 V227A187-Y191 PolarHBondContact O-N 3.01Å; E188-Y191 PolarHBondContact O-N 2.55Å; Y191-A193 VanDerWaalsContact C-N 3.29Å; Y191-A193 PolarHBondContact O-N 3.38Å; Y191-G194 PolarHBondContact O-N 3.22Å; Y191-E195 HydrophobicContact CD2-CB 3.85Å; Y191-E195 HydrophobicContact CD2-CG 4.34Å; Y191-E195 HydrophobicContact CE2-CB 3.71Å; Y191-E195 HydrophobicContact CE2-CG 4.48Å; Y191-E195 PolarHBondContact O-N 2.95Å; Y191-K196 HydrophobicContact CD1-CB 4.47Å; Y191-K196 HydrophobicContact CD1-CD 4.44Å; Y191-K196 HydrophobicContact CE1-CB 4.12Å; Y191-K196 HydrophobicContact CE1-CD 3.91Å; Y191-K196 HydrophobicContact CE1-CG 4.27Å; Y191-K196 PolarHBondContact O-N 2.79Å; Y191-K196 VanDerWaalsContact O-N 3.16Å; Y191-V227 HydrophobicContact CD1-CG1 3.57Å; Y191-V227 HydrophobicContact CD2-CG1 4.47Å; Y191-V227 HydrophobicContact CE1-CG1 4.35Å; Y191-V227 HydrophobicContact CG-CG1 3.65Å
192Q97.9Very high96.6Very high69 Ų6957.4 Ų57.432%0.32227%0.272SS..Hα-helixtrans-65.6-31.3173.9-61.5-62.1-56.300112.7E188 A189 K196 K197E188-Q192 HydrophobicContact CG-CG 4.42Å; E188-Q192 VanDerWaalsContact O-CG 3.27Å; E188-Q192 WeakPolarHBondContact O-CG 3.36Å; E188-Q192 PolarHBondContact O-N 3.04Å; E188-Q192 PolarHBondContact OE1-NE2 2.84Å; A189-Q192 PolarHBondContact O-N 3.35Å; Q192-K196 VanDerWaalsContact CD-CD 3.44Å; Q192-K196 VanDerWaalsContact CD-NZ 3.32Å; Q192-K196 VanDerWaalsContact OE1-CD 3.22Å; Q192-K197 WeakPolarHBondContact O-CD 3.17Å; Q192-K197 WeakPolarHBondContact O-CG 3.46Å
193A97.3Very high96.6Very high6 Ų658.2 Ų58.25%0.0528%0.283CS..Hα-helixtrans-82.2-19.4-179.400000114.3A189 L190 Y191 K197 T200 D201 K204 F205A189-A193 WeakPolarHBondContact O-CB 3.31Å; A189-A193 PolarHBondContact O-N 3.42Å; L190-A193 PolarHBondContact O-N 3.22Å; Y191-A193 VanDerWaalsContact C-N 3.29Å; Y191-A193 PolarHBondContact O-N 3.38Å; A193-K197 WeakPolarHBondContact O-CD 3.47Å; A193-T200 CarbonylContact O-C 3.55Å; A193-T200 WeakPolarHBondContact O-CA 3.28Å; A193-D201 HydrophobicContact CB-CB 3.99Å; A193-D201 PolarHBondContact O-N 2.73Å; A193-K204 HydrophobicContact CB-CB 3.76Å; A193-K204 HydrophobicContact CB-CG 3.76Å; A193-F205 HydrophobicContact CB-CD2 4.26Å; A193-F205 HydrophobicContact CB-CE2 3.85Å
194G96.4Very high96.5Very high0 Ų061.3 Ų61.30%030%0.296CS..THydrogen-bonded Turntrans-115.1-100.5174.300000110.7L190 Y191 K196 K197 E239L190-G194 PolarHBondContact O-N 2.83Å; Y191-G194 PolarHBondContact O-N 3.22Å; G194-K196 PolarHBondContact O-N 3.38Å; G194-K197 WeakPolarHBondContact O-CG 3.38Å; G194-K197 PolarHBondContact O-N 3.21Å; G194-E239 WeakPolarHBondContact CA-OE2 3.45Å
195E95.9Very high96.5Very high48 Ų4857.5 Ų57.522%0.22428%0.278CS..THydrogen-bonded Turntrans-53.2-27.3-164.5-57.9-168.8-93.400116.4Y191 Y224 S228 K230 A235Y191-E195 HydrophobicContact CD2-CB 3.85Å; Y191-E195 HydrophobicContact CD2-CG 4.34Å; Y191-E195 HydrophobicContact CE2-CB 3.71Å; Y191-E195 HydrophobicContact CE2-CG 4.48Å; Y191-E195 PolarHBondContact O-N 2.95Å; E195-Y224 PolarHBondContact OE1-OH 3.38Å; E195-S228 VanDerWaalsContact OE1-CB 3.26Å; E195-S228 WeakPolarHBondContact OE1-CB 3.42Å; E195-S228 PolarHBondContact OE1-OG 3.38Å; E195-K230 WeakPolarHBondContact OE2-CD 3.32Å; E195-K230 WeakPolarHBondContact OE2-CE 3.2Å; E195-K230 IonicContact OE2-NZ 2.73Å; E195-K230 PolarHBondContact OE2-NZ 3.35Å; E195-A235 HydrophobicContact CG-CB 4.36Å
196K93.5Very high96.5Very high121 Ų12151.7 Ų51.753%0.52625%0.254SS..THydrogen-bonded Turntrans-910.5-177.4-154.6-173.6168.2-171.20114.3Y191 Q192 G194Y191-K196 HydrophobicContact CD1-CB 4.47Å; Y191-K196 HydrophobicContact CD1-CD 4.44Å; Y191-K196 HydrophobicContact CE1-CB 4.12Å; Y191-K196 HydrophobicContact CE1-CD 3.91Å; Y191-K196 HydrophobicContact CE1-CG 4.27Å; Y191-K196 PolarHBondContact O-N 2.79Å; Y191-K196 VanDerWaalsContact O-N 3.16Å; Q192-K196 VanDerWaalsContact CD-CD 3.44Å; Q192-K196 VanDerWaalsContact CD-NZ 3.32Å; Q192-K196 VanDerWaalsContact OE1-CD 3.22Å; G194-K196 PolarHBondContact O-N 3.38Å
197K93.7Very high96.4Very high92 Ų9256.4 Ų56.440%0.428%0.275SS..SBendtrans-128.1162.8176.463.7174.7-62-165.30111.2Q192 A193 G194 G199 D201Q192-K197 WeakPolarHBondContact O-CD 3.17Å; Q192-K197 WeakPolarHBondContact O-CG 3.46Å; A193-K197 WeakPolarHBondContact O-CD 3.47Å; G194-K197 WeakPolarHBondContact O-CG 3.38Å; G194-K197 PolarHBondContact O-N 3.21Å; K197-G199 WeakPolarHBondContact CG-O 3.39Å; K197-D201 HydrophobicContact CD-CB 4.46Å
198W89.3Confident96.4Very high251 Ų25156.6 Ų56.695%0.95128%0.276SS*.SBendtrans-77.2128.9169.7-176.2-96.8000109.6
199G92.6Very high96.4Very high40 Ų4053.4 Ų53.441%0.41226%0.262SS..SBendtrans68.8-172.1-168.500000111.9K197K197-G199 WeakPolarHBondContact CG-O 3.39Å
200T95.1Very high96.3Very high22 Ų2252.9 Ų52.914%0.13526%0.255CS..  trans-121.5150.9-175.9-49.10000109.4A193 E202 F205 E239 M240A193-T200 CarbonylContact O-C 3.55Å; A193-T200 WeakPolarHBondContact O-CA 3.28Å; T200-E202 HydrophobicContact CG2-CG 4.48Å; T200-F205 HydrophobicContact CG2-CD2 4.02Å; T200-F205 HydrophobicContact CG2-CE2 3.67Å; T200-F205 HydrophobicContact CG2-CZ 4.49Å; T200-E239 HydrophobicContact CG2-CB 4.04Å; T200-E239 PolarHBondContact OG1-O 3.01Å; T200-E239 VanDerWaalsContact OG1-O 3.11Å; T200-E239 PolarHBondContact OG1-OE2 3.39Å; T200-M240 HydrophobicContact CG2-CE 4.42Å
201D96.2Very high96.2Very high55 Ų5554.8 Ų54.829%0.29427%0.268SS..  trans-101.379.4167.4179.6-9.7000108.5A193 K197 S203 K204 F205A193-D201 HydrophobicContact CB-CB 3.99Å; A193-D201 PolarHBondContact O-N 2.73Å; K197-D201 HydrophobicContact CD-CB 4.46Å; D201-S203 PolarHBondContact O-N 2.84Å; D201-S203 WeakPolarHBondContact OD1-CB 3.37Å; D201-S203 PolarHBondContact OD1-N 2.94Å; D201-K204 HydrophobicContact CB-CB 4.22Å; D201-K204 WeakPolarHBondContact O-CB 3.18Å; D201-K204 PolarHBondContact O-N 3.39Å; D201-K204 PolarHBondContact OD1-N 3.16Å; D201-F205 WeakPolarHBondContact O-CD2 3.42Å; D201-F205 PolarHBondContact O-N 3.29Å
202E97.1Very high96.2Very high59 Ų5954.6 Ų54.628%0.27627%0.267SS..Hα-helixtrans-56.7-34.1-177.5-65.383.6174.700111.5D159 T200 K204 F205 I206 L244D159-E202 HydrophobicContact CB-CB 4.14Å; T200-E202 HydrophobicContact CG2-CG 4.48Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 3.46Å; E202-F205 WeakPolarHBondContact O-CB 3.43Å; E202-F205 PolarHBondContact O-N 3.13Å; E202-I206 WeakPolarHBondContact O-CG1 3.49Å; E202-I206 PolarHBondContact O-N 2.96Å; E202-L244 HydrophobicContact CB-CD2 3.91Å; E202-L244 HydrophobicContact CG-CD2 3.63Å
203S96.9Very high96.2Very high73 Ų7351.3 Ų51.351%0.5125%0.252SS..Hα-helixtrans-61.2-37.4176.6-71.90000112.1D201 Q207D201-S203 PolarHBondContact O-N 2.84Å; D201-S203 WeakPolarHBondContact OD1-CB 3.37Å; D201-S203 PolarHBondContact OD1-N 2.94Å; S203-Q207 VanDerWaalsContact O-CB 3.3Å; S203-Q207 WeakPolarHBondContact O-CB 3.19Å; S203-Q207 PolarHBondContact O-N 3.14Å
204K97.9Very high96.2Very high66 Ų6652.6 Ų52.629%0.28726%0.259SS..Hα-helixtrans-65.7-43.5174.1-173.656.456.8-172.20112.2A193 D201 E202 Q207 I208A193-K204 HydrophobicContact CB-CB 3.76Å; A193-K204 HydrophobicContact CB-CG 3.76Å; D201-K204 HydrophobicContact CB-CB 4.22Å; D201-K204 WeakPolarHBondContact O-CB 3.18Å; D201-K204 PolarHBondContact O-N 3.39Å; D201-K204 PolarHBondContact OD1-N 3.16Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 3.46Å; K204-Q207 PolarHBondContact O-N 3.11Å; K204-I208 HydrophobicContact CD-CD1 4.21Å; K204-I208 HydrophobicContact CG-CD1 4.4Å; K204-I208 PolarHBondContact O-N 3.23Å
205F98Very high96.2Very high0 Ų055.7 Ų55.70%027%0.274CS..Hα-helixtrans-59.5-50.9175.3-78.2-97.8000110.6L190 A193 T200 D201 E202 Q207 I208 F209 L236 M240 L248L190-F205 HydrophobicContact CB-CE1 4.31Å; L190-F205 HydrophobicContact CB-CZ 4.45Å; L190-F205 HydrophobicContact CD2-CB 4.35Å; L190-F205 HydrophobicContact CD2-CD1 3.53Å; L190-F205 HydrophobicContact CD2-CD2 4.35Å; L190-F205 HydrophobicContact CD2-CE1 3.8Å; L190-F205 HydrophobicContact CD2-CG 3.83Å; L190-F205 HydrophobicContact CD2-CZ 4.31Å; A193-F205 HydrophobicContact CB-CD2 4.26Å; A193-F205 HydrophobicContact CB-CE2 3.85Å; T200-F205 HydrophobicContact CG2-CD2 4.02Å; T200-F205 HydrophobicContact CG2-CE2 3.67Å; T200-F205 HydrophobicContact CG2-CZ 4.49Å; D201-F205 WeakPolarHBondContact O-CD2 3.42Å; D201-F205 PolarHBondContact O-N 3.29Å; E202-F205 WeakPolarHBondContact O-CB 3.43Å; E202-F205 PolarHBondContact O-N 3.13Å; F205-Q207 PolarHBondContact O-N 2.96Å; F205-I208 PolarHBondContact O-N 2.95Å; F205-F209 HydrophobicContact CD1-CE2 4.3Å; F205-F209 WeakPolarHBondContact O-CB 3.36Å; F205-F209 WeakPolarHBondContact O-CD2 3.16Å; F205-F209 PolarHBondContact O-N 3.39Å; F205-L236 HydrophobicContact CD1-CD2 3.51Å; F205-L236 HydrophobicContact CE1-CD2 3.58Å; F205-M240 HydrophobicContact CB-CE 4.27Å; F205-M240 HydrophobicContact CD1-CE 3.8Å; F205-M240 HydrophobicContact CD2-CE 4.15Å; F205-M240 HydrophobicContact CE1-CE 4.16Å; F205-M240 HydrophobicContact CE2-CE 4.48Å; F205-M240 HydrophobicContact CG-CE 3.81Å; F205-M240 HydrophobicContact CZ-CE 4.49Å; F205-L248 HydrophobicContact CB-CD1 4.18Å
206I97.9Very high96.3Very high12 Ų1253.8 Ų53.86%0.06227%0.265CS..Hα-helixtrans-57.1-49.6178.5-68.6168.7000110.6D159 H162 L163 E202 I208 F209 V210 L244D159-I206 HydrophobicContact CB-CD1 3.92Å; D159-I206 WeakPolarHBondContact O-CD1 3.46Å; H162-I206 HydrophobicContact CB-CD1 4.19Å; L163-I206 HydrophobicContact CB-CD1 4.22Å; L163-I206 HydrophobicContact CB-CG1 4.19Å; L163-I206 HydrophobicContact CB-CG2 4.48Å; L163-I206 HydrophobicContact CD1-CG1 4.18Å; L163-I206 HydrophobicContact CD1-CG2 4.13Å; E202-I206 WeakPolarHBondContact O-CG1 3.49Å; E202-I206 PolarHBondContact O-N 2.96Å; I206-I208 VanDerWaalsContact C-N 3.28Å; I206-I208 PolarHBondContact O-N 2.94Å; I206-F209 PolarHBondContact O-N 2.81Å; I206-V210 HydrophobicContact CG2-CG1 4.12Å; I206-V210 WeakPolarHBondContact O-CG1 3.49Å; I206-V210 WeakPolarHBondContact O-CG2 3.39Å; I206-V210 PolarHBondContact O-N 2.96Å; I206-L244 HydrophobicContact CD1-CD1 4.08Å; I206-L244 HydrophobicContact CG1-CD1 4.1Å
207Q97.8Very high96.6Very high109 Ų10948.3 Ų48.351%0.50924%0.241SC..Hα-helixtrans-53.5-44.1-178.9-175.9-1738.300112.4S203 K204 F205 S211S203-Q207 VanDerWaalsContact O-CB 3.3Å; S203-Q207 WeakPolarHBondContact O-CB 3.19Å; S203-Q207 PolarHBondContact O-N 3.14Å; K204-Q207 PolarHBondContact O-N 3.11Å; F205-Q207 PolarHBondContact O-N 2.96Å; Q207-S211 WeakPolarHBondContact O-CB 3.22Å; Q207-S211 PolarHBondContact O-OG 2.69Å
208I98.1Very high96.7Very high5 Ų547.3 Ų47.33%0.02624%0.237CC..Hα-helixtrans-72.3-48.4-179.9-67172.7000110.1D186 A189 L190 K204 F205 I206 V210 S211 R212 L217D186-I208 HydrophobicContact CB-CD1 4.2Å; D186-I208 HydrophobicContact CB-CG2 4.24Å; A189-I208 HydrophobicContact CB-CD1 4.15Å; L190-I208 HydrophobicContact CD2-CB 4.45Å; L190-I208 HydrophobicContact CD2-CD1 3.75Å; L190-I208 HydrophobicContact CG-CD1 3.83Å; K204-I208 HydrophobicContact CD-CD1 4.21Å; K204-I208 HydrophobicContact CG-CD1 4.4Å; K204-I208 PolarHBondContact O-N 3.23Å; F205-I208 PolarHBondContact O-N 2.95Å; I206-I208 VanDerWaalsContact C-N 3.28Å; I206-I208 PolarHBondContact O-N 2.94Å; I208-V210 VanDerWaalsContact C-N 3.34Å; I208-V210 PolarHBondContact O-N 2.87Å; I208-S211 PolarHBondContact O-N 2.91Å; I208-S211 PolarHBondContact O-OG 2.9Å; I208-R212 HydrophobicContact CG2-CG 3.99Å; I208-R212 WeakPolarHBondContact O-CB 3.39Å; I208-R212 VanDerWaalsContact O-CG 3.28Å; I208-R212 WeakPolarHBondContact O-CG 3.19Å; I208-R212 PolarHBondContact O-N 2.58Å; I208-R212 VanDerWaalsContact O-N 3.1Å; I208-L217 HydrophobicContact CG2-CD2 4.33Å
209F97.8Very high97.1Very high1 Ų135.6 Ų35.60%0.00419%0.194CC..Hα-helixtrans-68.3-29-172.3-83.1-120.8000114.3L190 F205 I206 L232 L236 L248 I251 V252L190-F209 HydrophobicContact CD1-CE2 3.97Å; L190-F209 HydrophobicContact CD2-CE2 4.14Å; F205-F209 HydrophobicContact CD1-CE2 4.3Å; F205-F209 WeakPolarHBondContact O-CB 3.36Å; F205-F209 WeakPolarHBondContact O-CD2 3.16Å; F205-F209 PolarHBondContact O-N 3.39Å; I206-F209 PolarHBondContact O-N 2.81Å; F209-L232 HydrophobicContact CZ-CD2 4Å; F209-L236 HydrophobicContact CE1-CD1 4.32Å; F209-L236 HydrophobicContact CZ-CD1 4.11Å; F209-L236 HydrophobicContact CZ-CD2 4.38Å; F209-L248 HydrophobicContact CB-CD2 3.69Å; F209-L248 HydrophobicContact CD1-CB 4.22Å; F209-L248 HydrophobicContact CD1-CD2 3.4Å; F209-L248 VanDerWaalsContact CD1-CD2 3.4Å; F209-L248 HydrophobicContact CD1-CG 4.39Å; F209-L248 HydrophobicContact CD2-CD2 4.29Å; F209-L248 HydrophobicContact CE1-CB 4.05Å; F209-L248 HydrophobicContact CE1-CD2 4.01Å; F209-L248 HydrophobicContact CG-CD2 3.55Å; F209-I251 HydrophobicContact CB-CD1 4.3Å; F209-I251 HydrophobicContact CD1-CB 4.03Å; F209-I251 HydrophobicContact CD1-CD1 4.37Å; F209-I251 HydrophobicContact CD1-CG2 3.75Å; F209-I251 HydrophobicContact CE1-CG2 4.48Å; F209-V252 HydrophobicContact CE1-CG2 3.51Å; F209-V252 HydrophobicContact CZ-CG2 3.94Å
210V97.4Very high97.4Very high21 Ų2133.7 Ų33.713%0.12717%0.174CC..Hα-helixtrans-88.8-14.4178.6-55.90000113.7L163 A166 L167 R172 I206 I208L163-V210 HydrophobicContact CD1-CG1 3.45Å; L163-V210 VanDerWaalsContact CD1-CG1 3.45Å; A166-V210 HydrophobicContact CB-CB 4.13Å; A166-V210 HydrophobicContact CB-CG1 3.88Å; A166-V210 HydrophobicContact CB-CG2 3.96Å; L167-V210 HydrophobicContact CD2-CG1 4.17Å; L167-V210 HydrophobicContact CG-CG1 4.21Å; R172-V210 WeakPolarHBondContact CA-O 3.22Å; R172-V210 VanDerWaalsContact CB-O 3.3Å; R172-V210 WeakPolarHBondContact CB-O 3.3Å; R172-V210 WeakPolarHBondContact CG-O 3.42Å; I206-V210 HydrophobicContact CG2-CG1 4.12Å; I206-V210 WeakPolarHBondContact O-CG1 3.49Å; I206-V210 WeakPolarHBondContact O-CG2 3.39Å; I206-V210 PolarHBondContact O-N 2.96Å; I208-V210 VanDerWaalsContact C-N 3.34Å; I208-V210 PolarHBondContact O-N 2.87Å
211S96.4Very high97.5Very high39 Ų3933.6 Ų33.627%0.27317%0.174SC..Hα-helixtrans-103.7-29.8-176.263.40000113.8D173 Q207 I208D173-S211 VanDerWaalsContact CB-O 3.3Å; D173-S211 WeakPolarHBondContact CB-O 3.36Å; D173-S211 PolarHBondContact N-O 3.29Å; Q207-S211 WeakPolarHBondContact O-CB 3.22Å; Q207-S211 PolarHBondContact O-OG 2.69Å; I208-S211 PolarHBondContact O-N 2.91Å; I208-S211 PolarHBondContact O-OG 2.9Å
212R97.8Very high97.5Very high58 Ų5838.7 Ų38.722%0.21919%0.189CC..SBendtrans-86.5149.9-175.3-61.3-57.5-175.8-97.3-5.9112.9R172 D186 I208 H216 L217R172-R212 VanDerWaalsContact CD-O 3.3Å; R172-R212 WeakPolarHBondContact CD-O 3.43Å; R172-R212 WeakPolarHBondContact CG-O 3.41Å; D186-R212 IonicContact OD1-CZ 3.72Å; D186-R212 IonicContact OD1-NE 2.77Å; D186-R212 IonicContact OD1-NH2 2.86Å; D186-R212 PolarHBondContact OD1-NH2 3.02Å; D186-R212 IonicContact OD2-CZ 2.74Å; D186-R212 IonicContact OD2-NE 3.86Å; D186-R212 PolarHBondContact OD2-NE 2.83Å; D186-R212 IonicContact OD2-NH2 3.74Å; D186-R212 PolarHBondContact OD2-NH2 3.27Å; I208-R212 HydrophobicContact CG2-CG 3.99Å; I208-R212 WeakPolarHBondContact O-CB 3.39Å; I208-R212 VanDerWaalsContact O-CG 3.28Å; I208-R212 WeakPolarHBondContact O-CG 3.19Å; I208-R212 PolarHBondContact O-N 2.58Å; I208-R212 VanDerWaalsContact O-N 3.1Å; R212-H216 HydrophobicContact CB-CB 4.3Å; R212-H216 VanDerWaalsContact CD-CD2 3.49Å; R212-H216 WeakPolarHBondContact CD-CD2 3.48Å; R212-L217 HydrophobicContact CB-CD2 3.91Å; R212-L217 HydrophobicContact CB-CG 3.86Å
213S97.8Very high97.5Very high0 Ų038 Ų380%019%0.186CC..  trans-70.5158.3175.172.20000112.6D173 S175 E215 H216 L217D173-S213 WeakPolarHBondContact O-CA 3.28Å; D173-S213 WeakPolarHBondContact O-CB 3.4Å; S175-S213 WeakPolarHBondContact O-CB 3.34Å; S175-S213 PolarHBondContact O-OG 3.28Å; S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 PolarHBondContact O-N 3.43Å; S213-H216 PolarHBondContact O-N 2.89Å; S213-H216 WeakPolarHBondContact OG-CB 3.49Å; S213-H216 PolarHBondContact OG-N 3.15Å; S213-L217 WeakPolarHBondContact O-CG 3.47Å; S213-L217 PolarHBondContact O-N 3.27Å
214P96.4Very high97.5Very high32 Ų3234.5 Ų34.521%0.20816%0.161CC..Hα-helixtrans-53.6-42.7173.7-26.936.6000112.9H216 L217 K218 A255P214-H216 PolarHBondContact O-N 2.99Å; P214-L217 PolarHBondContact O-N 3.26Å; P214-K218 WeakPolarHBondContact O-CB 3.47Å; P214-K218 PolarHBondContact O-N 3.43Å; P214-A255 HydrophobicContact CB-CB 4.31Å; P214-A255 WeakPolarHBondContact O-CB 3.37Å
215E97.3Very high97.3Very high66 Ų6634.3 Ų34.331%0.30817%0.168SC..Hα-helixtrans-64.5-40.6178.8-68.169-154.200111.5V178 S213 A219V178-E215 HydrophobicContact CG2-CB 3.65Å; S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 PolarHBondContact O-N 3.43Å; E215-A219 PolarHBondContact O-N 3.16Å
216H98.3Very high97.2Very high7 Ų739.8 Ų39.83%0.03220%0.198CC..Hα-helixtrans-67.2-45.2175.2-171.392.1000111.8A183 D186 R212 S213 P214 K218 A219 V220A183-H216 PolarHBondContact N-CE1 3.48Å; D186-H216 IonicContact OD2-CD2 3.03Å; D186-H216 IonicContact OD2-CE1 3.64Å; D186-H216 IonicContact OD2-NE2 3.36Å; D186-H216 PolarHBondContact OD2-NE2 3.37Å; R212-H216 HydrophobicContact CB-CB 4.3Å; R212-H216 VanDerWaalsContact CD-CD2 3.49Å; R212-H216 WeakPolarHBondContact CD-CD2 3.48Å; S213-H216 PolarHBondContact O-N 2.89Å; S213-H216 WeakPolarHBondContact OG-CB 3.49Å; S213-H216 PolarHBondContact OG-N 3.15Å; P214-H216 PolarHBondContact O-N 2.99Å; H216-K218 VanDerWaalsContact C-N 3.28Å; H216-K218 PolarHBondContact O-N 3.41Å; H216-A219 CarbonylContact O-C 3.57Å; H216-A219 WeakPolarHBondContact O-CA 3.25Å; H216-A219 WeakPolarHBondContact O-CB 3.19Å; H216-A219 PolarHBondContact O-N 3.25Å; H216-V220 WeakPolarHBondContact O-CG2 3.42Å; H216-V220 PolarHBondContact O-N 2.98Å
217L98Very high97Very high6 Ų640.6 Ų40.63%0.03120%0.203CC..Hα-helixtrans-61.8-35.8177.3-72.5172.4000112.3I208 R212 S213 P214 A219 V220 C221 I251 A255I208-L217 HydrophobicContact CG2-CD2 4.33Å; R212-L217 HydrophobicContact CB-CD2 3.91Å; R212-L217 HydrophobicContact CB-CG 3.86Å; S213-L217 WeakPolarHBondContact O-CG 3.47Å; S213-L217 PolarHBondContact O-N 3.27Å; P214-L217 PolarHBondContact O-N 3.26Å; L217-A219 VanDerWaalsContact C-N 3.3Å; L217-A219 PolarHBondContact O-N 2.96Å; L217-V220 PolarHBondContact O-N 3.35Å; L217-C221 PolarHBondContact O-N 3.04Å; L217-C221 PolarHBondContact O-SG 2.81Å; L217-I251 HydrophobicContact CD1-CG2 3.63Å; L217-A255 HydrophobicContact CB-CB 3.98Å
218K96.9Very high96.9Very high72 Ų7236 Ų3631%0.31318%0.183SC..Hα-helixtrans-62-38171.4-175.6169.9-1691600112P214 H216 R222 N256P214-K218 WeakPolarHBondContact O-CB 3.47Å; P214-K218 PolarHBondContact O-N 3.43Å; H216-K218 VanDerWaalsContact C-N 3.28Å; H216-K218 PolarHBondContact O-N 3.41Å; K218-R222 WeakPolarHBondContact O-CG 3.49Å; K218-R222 PolarHBondContact O-N 3.35Å; K218-N256 PolarHBondContact NZ-O 2.95Å; K218-N256 VanDerWaalsContact NZ-O 3.13Å
219A97.8Very high96.6Very high5 Ų546.2 Ų46.24%0.04123%0.227CC..Hα-helixtrans-69.8-40.5173.400000112.3V178 L180 A183 E215 H216 L217 C221 R222 E223V178-A219 HydrophobicContact CG1-CB 3.5Å; V178-A219 VanDerWaalsContact CG1-CB 3.5Å; L180-A219 HydrophobicContact CD2-CB 4.3Å; A183-A219 HydrophobicContact CB-CB 3.85Å; E215-A219 PolarHBondContact O-N 3.16Å; H216-A219 CarbonylContact O-C 3.57Å; H216-A219 WeakPolarHBondContact O-CA 3.25Å; H216-A219 WeakPolarHBondContact O-CB 3.19Å; H216-A219 PolarHBondContact O-N 3.25Å; L217-A219 VanDerWaalsContact C-N 3.3Å; L217-A219 PolarHBondContact O-N 2.96Å; A219-C221 VanDerWaalsContact C-N 3.29Å; A219-C221 PolarHBondContact O-N 3.25Å; A219-R222 WeakPolarHBondContact O-CB 3.23Å; A219-R222 PolarHBondContact O-N 3.41Å; A219-R222 VanDerWaalsContact O-N 3.08Å; A219-E223 PolarHBondContact O-N 3.46Å
220V98.3Very high96.5Very high0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-57.6-42.7173.2174.90000110.9A183 D186 A187 L190 H216 L217 R222 E223 Y224 L232A183-V220 HydrophobicContact CB-CG2 4.08Å; D186-V220 HydrophobicContact CB-CG1 4.47Å; D186-V220 HydrophobicContact CB-CG2 3.84Å; A187-V220 HydrophobicContact CB-CG1 4.25Å; L190-V220 HydrophobicContact CD1-CG1 3.73Å; H216-V220 WeakPolarHBondContact O-CG2 3.42Å; H216-V220 PolarHBondContact O-N 2.98Å; L217-V220 PolarHBondContact O-N 3.35Å; V220-R222 VanDerWaalsContact C-N 3.28Å; V220-R222 PolarHBondContact O-N 3.35Å; V220-E223 PolarHBondContact O-N 2.85Å; V220-Y224 WeakPolarHBondContact O-CB 3.35Å; V220-Y224 PolarHBondContact O-N 3.47Å; V220-L232 HydrophobicContact CG1-CD2 4.32Å
221C97Very high96.4Very high20 Ų2051.3 Ų51.314%0.13525%0.253CS..Hα-helixtrans-59.7-37.6176.1-66.50000112.8L217 A219L217-C221 PolarHBondContact O-N 3.04Å; L217-C221 PolarHBondContact O-SG 2.81Å; A219-C221 VanDerWaalsContact C-N 3.29Å; A219-C221 PolarHBondContact O-N 3.25Å
222R96.1Very high96.5Very high161 Ų16149.7 Ų49.761%0.60824%0.241SC*.Hα-helixtrans-70.3-45.8176.8-67.2168.1179.7168.6-3.6111.3K218 A219 V220 Y224 S225K218-R222 WeakPolarHBondContact O-CG 3.49Å; K218-R222 PolarHBondContact O-N 3.35Å; A219-R222 WeakPolarHBondContact O-CB 3.23Å; A219-R222 PolarHBondContact O-N 3.41Å; A219-R222 VanDerWaalsContact O-N 3.08Å; V220-R222 VanDerWaalsContact C-N 3.28Å; V220-R222 PolarHBondContact O-N 3.35Å; R222-Y224 VanDerWaalsContact C-N 3.32Å; R222-Y224 PolarHBondContact O-N 3.14Å; R222-S225 PolarHBondContact O-N 2.98Å
223E97.6Very high96.4Very high44 Ų4449.6 Ų49.621%0.20624%0.243CC..Hα-helixtrans-67.6-30.5179.1-72.7-57.3138.900112.9A183 H184 A187 A219 V220 S225 N226 V227A183-E223 HydrophobicContact CB-CG 4.46Å; H184-E223 HydrophobicContact CB-CG 4.21Å; H184-E223 IonicContact CG-OE2 2.88Å; H184-E223 IonicContact ND1-OE2 3.74Å; H184-E223 PolarHBondContact ND1-OE2 3.46Å; A187-E223 HydrophobicContact CB-CB 3.82Å; A219-E223 PolarHBondContact O-N 3.46Å; V220-E223 PolarHBondContact O-N 2.85Å; E223-S225 PolarHBondContact O-N 3.12Å; E223-N226 WeakPolarHBondContact O-CA 3.4Å; E223-N226 VanDerWaalsContact O-CB 3.3Å; E223-N226 WeakPolarHBondContact O-CB 3.29Å; E223-N226 PolarHBondContact O-N 3.36Å; E223-N226 PolarHBondContact OE2-ND2 3.39Å; E223-N226 VanDerWaalsContact OE2-ND2 3.09Å; E223-V227 PolarHBondContact O-N 2.89Å
224Y97.6Very high96.3Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-58.5-37.2178.2-161.3-89.3000112.3A187 L190 E195 V220 R222 N226 V227 S228 K230 L232 A235A187-Y224 HydrophobicContact CB-CD2 4.33Å; L190-Y224 HydrophobicContact CB-CD2 4.24Å; L190-Y224 HydrophobicContact CB-CE2 3.77Å; E195-Y224 PolarHBondContact OE1-OH 3.38Å; V220-Y224 WeakPolarHBondContact O-CB 3.35Å; V220-Y224 PolarHBondContact O-N 3.47Å; R222-Y224 VanDerWaalsContact C-N 3.32Å; R222-Y224 PolarHBondContact O-N 3.14Å; Y224-N226 PolarHBondContact O-N 3.34Å; Y224-V227 PolarHBondContact O-N 3.26Å; Y224-V227 VanDerWaalsContact O-N 3.11Å; Y224-S228 PolarHBondContact O-N 3.05Å; Y224-K230 WeakPolarHBondContact CD1-O 3.43Å; Y224-L232 HydrophobicContact CD1-CB 3.98Å; Y224-L232 HydrophobicContact CD1-CD1 4.44Å; Y224-L232 HydrophobicContact CD2-CB 4.37Å; Y224-L232 HydrophobicContact CD2-CD1 3.75Å; Y224-L232 HydrophobicContact CE1-CD1 4.44Å; Y224-L232 HydrophobicContact CE2-CD1 3.76Å; Y224-L232 HydrophobicContact CG-CB 3.84Å; Y224-L232 HydrophobicContact CG-CD1 4.09Å; Y224-L232 HydrophobicContact CG-CG 4.49Å; Y224-A235 HydrophobicContact CE1-CB 3.57Å; Y224-A235 WeakPolarHBondContact OH-CB 3.25Å
225S93.6Very high96.3Very high62 Ų6251.5 Ų51.543%0.43425%0.252SS..Hα-helixtrans-68.2-14.7175.3-56.10000113.9R222 E223 S228R222-S225 PolarHBondContact O-N 2.98Å; E223-S225 PolarHBondContact O-N 3.12Å; S225-S228 CarbonylContact C-O 3.52Å; S225-S228 VanDerWaalsContact O-O 3.13Å
226N94.7Very high96.3Very high116 Ų11648.4 Ų48.462%0.6224%0.237SC*.Hα-helixtrans-87-24.5172.5-61.7-32.5000112E223 Y224E223-N226 WeakPolarHBondContact O-CA 3.4Å; E223-N226 VanDerWaalsContact O-CB 3.3Å; E223-N226 WeakPolarHBondContact O-CB 3.29Å; E223-N226 PolarHBondContact O-N 3.36Å; E223-N226 PolarHBondContact OE2-ND2 3.39Å; E223-N226 VanDerWaalsContact OE2-ND2 3.09Å; Y224-N226 PolarHBondContact O-N 3.34Å
227V95.3Very high96.3Very high29 Ų2953.1 Ų53.118%0.17626%0.258CS..Hα-helixtrans-94.2-36.7-178.2175.80000111.5A187 E188 Y191 E223 Y224A187-V227 HydrophobicContact CB-CG2 4.42Å; E188-V227 WeakPolarHBondContact OE2-CG1 3.47Å; Y191-V227 HydrophobicContact CD1-CG1 3.57Å; Y191-V227 HydrophobicContact CD2-CG1 4.47Å; Y191-V227 HydrophobicContact CE1-CG1 4.35Å; Y191-V227 HydrophobicContact CG-CG1 3.65Å; E223-V227 PolarHBondContact O-N 2.89Å; Y224-V227 PolarHBondContact O-N 3.26Å; Y224-V227 VanDerWaalsContact O-N 3.11Å
228S94.7Very high96.1Very high13 Ų1355.8 Ų55.89%0.09128%0.277CS..  trans-119.3158.2-178.3-179.50000111.9E195 Y224 S225 K230E195-S228 VanDerWaalsContact OE1-CB 3.26Å; E195-S228 WeakPolarHBondContact OE1-CB 3.42Å; E195-S228 PolarHBondContact OE1-OG 3.38Å; Y224-S228 PolarHBondContact O-N 3.05Å; S225-S228 CarbonylContact C-O 3.52Å; S225-S228 VanDerWaalsContact O-O 3.13Å; S228-K230 PolarHBondContact OG-N 3.27Å; S228-K230 VanDerWaalsContact OG-N 3.08Å
229K92.7Very high96Very high218 Ų21854.6 Ų54.695%0.94827%0.272SS*.SBendtrans-77-10.1169.2-65.6-178.6175.8177.80112.9
230K95Very high95.8Very high71 Ų7155 Ų5531%0.30927%0.274SS..SBendtrans-103156.1177.1-65.5-171.7-165.5141.10110.7E195 Y224 S228 D234 S238E195-K230 WeakPolarHBondContact OE2-CD 3.32Å; E195-K230 WeakPolarHBondContact OE2-CE 3.2Å; E195-K230 IonicContact OE2-NZ 2.73Å; E195-K230 PolarHBondContact OE2-NZ 3.35Å; Y224-K230 WeakPolarHBondContact CD1-O 3.43Å; S228-K230 PolarHBondContact OG-N 3.27Å; S228-K230 VanDerWaalsContact OG-N 3.08Å; K230-D234 HydrophobicContact CB-CB 4.19Å; K230-D234 HydrophobicContact CD-CB 4.38Å; K230-S238 PolarHBondContact NZ-OG 3.1Å
231T95.9Very high95.7Very high59 Ų5959.7 Ų59.736%0.36231%0.306SS..  trans-68.9157.8161.970.30000109.8E233 D234 A235T231-E233 PolarHBondContact O-N 2.91Å; T231-D234 PolarHBondContact O-N 3.33Å; T231-D234 VanDerWaalsContact O-N 3.16Å; T231-D234 PolarHBondContact OG1-N 3.01Å; T231-D234 VanDerWaalsContact OG1-N 3.1Å; T231-D234 PolarHBondContact OG1-OD2 3.36Å; T231-A235 PolarHBondContact O-N 3.45Å
232L96.9Very high95.7Very high4 Ų460.9 Ų60.92%0.02132%0.322CS..Hα-helixtrans-58.3-36.9174.4179.758.2000111.5L190 F209 V220 Y224 A235 L236 V252L190-L232 HydrophobicContact CD1-CD1 3.97Å; L190-L232 HydrophobicContact CD1-CD2 4.16Å; F209-L232 HydrophobicContact CZ-CD2 4Å; V220-L232 HydrophobicContact CG1-CD2 4.32Å; Y224-L232 HydrophobicContact CD1-CB 3.98Å; Y224-L232 HydrophobicContact CD1-CD1 4.44Å; Y224-L232 HydrophobicContact CD2-CB 4.37Å; Y224-L232 HydrophobicContact CD2-CD1 3.75Å; Y224-L232 HydrophobicContact CE1-CD1 4.44Å; Y224-L232 HydrophobicContact CE2-CD1 3.76Å; Y224-L232 HydrophobicContact CG-CB 3.84Å; Y224-L232 HydrophobicContact CG-CD1 4.09Å; Y224-L232 HydrophobicContact CG-CG 4.49Å; L232-A235 PolarHBondContact O-N 2.83Å; L232-L236 HydrophobicContact CD1-CG 4.35Å; L232-L236 HydrophobicContact CG-CD1 4.37Å; L232-L236 HydrophobicContact CG-CG 4.48Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.24Å; L232-L236 PolarHBondContact O-N 3.44Å; L232-V252 HydrophobicContact CD2-CG2 4.49Å
233E96.3Very high95.8Very high56 Ų5655.9 Ų55.926%0.26231%0.307SS..Hα-helixtrans-64-40.9177.1-66.3-173.9-17300112.6T231 K237 L249 V252T231-E233 PolarHBondContact O-N 2.91Å; E233-K237 VanDerWaalsContact O-CG 3.27Å; E233-K237 WeakPolarHBondContact O-CG 3.27Å; E233-K237 PolarHBondContact O-N 3.1Å; E233-L249 HydrophobicContact CB-CD2 4.15Å; E233-L249 HydrophobicContact CG-CD2 4.24Å; E233-V252 HydrophobicContact CG-CG1 3.81Å
234D96.6Very high95.9Very high73 Ų7354.5 Ų54.539%0.3930%0.301SS..Hα-helixtrans-70.8-36.7177.6-62.3-37.4000111.6K230 T231 K237 S238K230-D234 HydrophobicContact CB-CB 4.19Å; K230-D234 HydrophobicContact CD-CB 4.38Å; T231-D234 PolarHBondContact O-N 3.33Å; T231-D234 VanDerWaalsContact O-N 3.16Å; T231-D234 PolarHBondContact OG1-N 3.01Å; T231-D234 VanDerWaalsContact OG1-N 3.1Å; T231-D234 PolarHBondContact OG1-OD2 3.36Å; D234-K237 PolarHBondContact O-N 3.5Å; D234-S238 PolarHBondContact O-N 3.34Å; D234-S238 PolarHBondContact O-OG 3.42Å
235A96.3Very high95.9Very high0 Ų055.3 Ų55.30%031%0.305CS..Hα-helixtrans-62.8-46.617300000111.5E195 Y224 T231 L232 K237 S238 E239E195-A235 HydrophobicContact CG-CB 4.36Å; Y224-A235 HydrophobicContact CE1-CB 3.57Å; Y224-A235 WeakPolarHBondContact OH-CB 3.25Å; T231-A235 PolarHBondContact O-N 3.45Å; L232-A235 PolarHBondContact O-N 2.83Å; A235-K237 VanDerWaalsContact C-N 3.33Å; A235-K237 PolarHBondContact O-N 2.88Å; A235-S238 PolarHBondContact O-N 2.94Å; A235-S238 VanDerWaalsContact O-N 3.12Å; A235-S238 PolarHBondContact O-OG 3.16Å; A235-E239 WeakPolarHBondContact O-CB 3.34Å; A235-E239 VanDerWaalsContact O-CG 3.22Å; A235-E239 WeakPolarHBondContact O-CG 3.42Å; A235-E239 PolarHBondContact O-N 3.28Å
236L97.2Very high96.1Very high0 Ų057.1 Ų57.10%031%0.307CS..Hα-helixtrans-55.1-49.2173.2-70.7171000110.8F205 F209 L232 S238 E239 M240 L245 L248 L249 V252F205-L236 HydrophobicContact CD1-CD2 3.51Å; F205-L236 HydrophobicContact CE1-CD2 3.58Å; F209-L236 HydrophobicContact CE1-CD1 4.32Å; F209-L236 HydrophobicContact CZ-CD1 4.11Å; F209-L236 HydrophobicContact CZ-CD2 4.38Å; L232-L236 HydrophobicContact CD1-CG 4.35Å; L232-L236 HydrophobicContact CG-CD1 4.37Å; L232-L236 HydrophobicContact CG-CG 4.48Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.24Å; L232-L236 PolarHBondContact O-N 3.44Å; L236-S238 PolarHBondContact O-N 3.39Å; L236-E239 PolarHBondContact O-N 3.15Å; L236-M240 HydrophobicContact CB-SD 4.43Å; L236-M240 HydrophobicContact CD2-CE 3.58Å; L236-M240 HydrophobicContact CD2-SD 3.64Å; L236-M240 WeakPolarHBondContact O-CG 3.47Å; L236-M240 PolarHBondContact O-N 3.26Å; L236-M240 VanDerWaalsContact O-N 3.07Å; L236-L245 HydrophobicContact CB-CD1 3.82Å; L236-L248 HydrophobicContact CD1-CB 4.32Å; L236-L248 HydrophobicContact CD2-CB 4.29Å; L236-L248 HydrophobicContact CD2-CD1 4.2Å; L236-L249 HydrophobicContact CB-CD2 4.41Å; L236-L249 HydrophobicContact CD1-CD2 4.12Å; L236-V252 HydrophobicContact CD1-CG2 3.98Å
237K97.4Very high96.3Very high107 Ų10751.7 Ų51.747%0.46528%0.278SS..Hα-helixtrans-63.3-27.3179.4-69.3165.6-167.7159.40113.6E233 D234 A235 L245 L249E233-K237 VanDerWaalsContact O-CG 3.27Å; E233-K237 WeakPolarHBondContact O-CG 3.27Å; E233-K237 PolarHBondContact O-N 3.1Å; D234-K237 PolarHBondContact O-N 3.5Å; A235-K237 VanDerWaalsContact C-N 3.33Å; A235-K237 PolarHBondContact O-N 2.88Å; K237-L245 HydrophobicContact CG-CD1 4.26Å; K237-L245 HydrophobicContact CG-CD2 4.45Å; K237-L249 HydrophobicContact CG-CD1 4.24Å
238S95.2Very high96.5Very high62 Ų6250.3 Ų50.343%0.43427%0.27SS..Hα-helixtrans-84.1-28.4177.563.60000114K230 D234 A235 L236K230-S238 PolarHBondContact NZ-OG 3.1Å; D234-S238 PolarHBondContact O-N 3.34Å; D234-S238 PolarHBondContact O-OG 3.42Å; A235-S238 PolarHBondContact O-N 2.94Å; A235-S238 VanDerWaalsContact O-N 3.12Å; A235-S238 PolarHBondContact O-OG 3.16Å; L236-S238 PolarHBondContact O-N 3.39Å
239E94.3Very high96.6Very high46 Ų4650.3 Ų50.322%0.21527%0.269CS..Hα-helixtrans-94.3-30.5-172-69.1-61133.500113.2G194 T200 A235 L236G194-E239 WeakPolarHBondContact CA-OE2 3.45Å; T200-E239 HydrophobicContact CG2-CB 4.04Å; T200-E239 PolarHBondContact OG1-O 3.01Å; T200-E239 VanDerWaalsContact OG1-O 3.11Å; T200-E239 PolarHBondContact OG1-OE2 3.39Å; A235-E239 WeakPolarHBondContact O-CB 3.34Å; A235-E239 VanDerWaalsContact O-CG 3.22Å; A235-E239 WeakPolarHBondContact O-CG 3.42Å; A235-E239 PolarHBondContact O-N 3.28Å; L236-E239 PolarHBondContact O-N 3.15Å
240M94Very high96.9Very high15 Ų1540 Ų407%0.07423%0.225CC..  trans-137.7167.2-171.251.5177.675.200112T200 F205 L236 L244 L245 L248T200-M240 HydrophobicContact CG2-CE 4.42Å; F205-M240 HydrophobicContact CB-CE 4.27Å; F205-M240 HydrophobicContact CD1-CE 3.8Å; F205-M240 HydrophobicContact CD2-CE 4.15Å; F205-M240 HydrophobicContact CE1-CE 4.16Å; F205-M240 HydrophobicContact CE2-CE 4.48Å; F205-M240 HydrophobicContact CG-CE 3.81Å; F205-M240 HydrophobicContact CZ-CE 4.49Å; L236-M240 HydrophobicContact CB-SD 4.43Å; L236-M240 HydrophobicContact CD2-CE 3.58Å; L236-M240 HydrophobicContact CD2-SD 3.64Å; L236-M240 WeakPolarHBondContact O-CG 3.47Å; L236-M240 PolarHBondContact O-N 3.26Å; L236-M240 VanDerWaalsContact O-N 3.07Å; M240-L244 HydrophobicContact SD-CD2 4.49Å; M240-L244 HydrophobicContact SD-CG 4.35Å; M240-L245 HydrophobicContact CG-CB 4.04Å; M240-L245 HydrophobicContact CG-CD1 3.94Å; M240-L245 WeakPolarHBondContact O-CD2 3.39Å; M240-L245 HydrophobicContact SD-CB 4.43Å; M240-L245 HydrophobicContact SD-CD1 4.34Å; M240-L248 HydrophobicContact CE-CD1 3.68Å; M240-L248 HydrophobicContact SD-CD1 3.36Å; M240-L248 WeakPolarHBondContact SD-CD1 3.19Å; M240-L248 HydrophobicContact SD-CG 4.48Å
241S95.5Very high97.1Very high97 Ų9736.8 Ų36.868%0.67821%0.211SC*.  trans-146.2-178.8-179.467.20000111.6
242G97.6Very high97.1Very high46 Ų4634.1 Ų34.147%0.47419%0.194SC..Hα-helixtrans63.9-154176.200000113.9L244 L245 Q246G242-L244 VanDerWaalsContact C-N 3.3Å; G242-L244 PolarHBondContact O-N 2.93Å; G242-L245 PolarHBondContact O-N 3.22Å; G242-Q246 WeakPolarHBondContact O-CG 3.42Å; G242-Q246 PolarHBondContact O-N 3.17Å; G242-Q246 VanDerWaalsContact O-N 3.16Å
243N98.1Very high97.2Very high55 Ų5536.9 Ų36.929%0.29421%0.207SC..Hα-helixtrans-66.6-30-171.9-64.1-27.6000113.2E118 F160 Q246 A247E118-N243 HydrophobicContact CB-CB 4.35Å; E118-N243 WeakPolarHBondContact CG-ND2 3.25Å; E118-N243 PolarHBondContact OE1-ND2 3.13Å; E118-N243 VanDerWaalsContact OE1-ND2 3.11Å; F160-N243 HydrophobicContact CB-CB 4.2Å; F160-N243 HydrophobicContact CD1-CB 3.74Å; F160-N243 HydrophobicContact CD2-CB 3.68Å; F160-N243 HydrophobicContact CE1-CB 4Å; F160-N243 HydrophobicContact CE2-CB 3.95Å; F160-N243 HydrophobicContact CG-CB 3.58Å; F160-N243 HydrophobicContact CZ-CB 4.1Å; N243-Q246 PolarHBondContact O-N 3.3Å; N243-A247 WeakPolarHBondContact O-CB 3.49Å; N243-A247 PolarHBondContact O-N 3.12Å
244L98.3Very high97.2Very high15 Ų1534.9 Ų34.98%0.07920%0.199CC..Hα-helixtrans-61.5-50.3173.6177.964.9000111.2D159 L163 E202 I206 M240 G242 Q246 A247 L248D159-L244 HydrophobicContact CB-CD1 4.39Å; D159-L244 HydrophobicContact CB-CD2 3.77Å; L163-L244 HydrophobicContact CB-CD1 4.35Å; L163-L244 HydrophobicContact CD2-CD1 4.11Å; E202-L244 HydrophobicContact CB-CD2 3.91Å; E202-L244 HydrophobicContact CG-CD2 3.63Å; I206-L244 HydrophobicContact CD1-CD1 4.08Å; I206-L244 HydrophobicContact CG1-CD1 4.1Å; M240-L244 HydrophobicContact SD-CD2 4.49Å; M240-L244 HydrophobicContact SD-CG 4.35Å; G242-L244 VanDerWaalsContact C-N 3.3Å; G242-L244 PolarHBondContact O-N 2.93Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.11Å; L244-A247 PolarHBondContact O-N 3.37Å; L244-L248 HydrophobicContact CD1-CD1 3.83Å; L244-L248 HydrophobicContact CD1-CG 4.15Å; L244-L248 HydrophobicContact CG-CD1 3.96Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 2.79Å
245L98.4Very high97.1Very high17 Ų1732 Ų329%0.08919%0.185CC..Hα-helixtrans-57.5-47.9176.5170.863.3000110.9L236 K237 M240 G242 A247 L248 L249L236-L245 HydrophobicContact CB-CD1 3.82Å; K237-L245 HydrophobicContact CG-CD1 4.26Å; K237-L245 HydrophobicContact CG-CD2 4.45Å; M240-L245 HydrophobicContact CG-CB 4.04Å; M240-L245 HydrophobicContact CG-CD1 3.94Å; M240-L245 WeakPolarHBondContact O-CD2 3.39Å; M240-L245 HydrophobicContact SD-CB 4.43Å; M240-L245 HydrophobicContact SD-CD1 4.34Å; G242-L245 PolarHBondContact O-N 3.22Å; L245-A247 VanDerWaalsContact C-N 3.28Å; L245-A247 PolarHBondContact O-N 3.18Å; L245-L248 PolarHBondContact O-N 3.34Å; L245-L249 HydrophobicContact CD1-CD1 3.72Å; L245-L249 HydrophobicContact CD1-CD2 4.42Å; L245-L249 HydrophobicContact CD1-CG 3.78Å; L245-L249 HydrophobicContact CD2-CD1 4.5Å; L245-L249 HydrophobicContact CG-CD1 3.89Å; L245-L249 HydrophobicContact CG-CG 4.32Å; L245-L249 WeakPolarHBondContact O-CB 3.22Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 2.94Å
246Q98.4Very high97.1Very high101 Ų10134.6 Ų34.647%0.47220%0.199SC..Hα-helixtrans-60.7-38.9-178.8-64.4-53-49.100112.1I122 G242 N243 L244 A250I122-Q246 HydrophobicContact CD1-CB 3.74Å; G242-Q246 WeakPolarHBondContact O-CG 3.42Å; G242-Q246 PolarHBondContact O-N 3.17Å; G242-Q246 VanDerWaalsContact O-N 3.16Å; N243-Q246 PolarHBondContact O-N 3.3Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.11Å; Q246-A250 WeakPolarHBondContact O-CB 3.46Å; Q246-A250 PolarHBondContact O-N 3.35Å
247A98.6Very high97Very high1 Ų137 Ų371%0.00821%0.212CC..Hα-helixtrans-69.1-44.917800000112.6I122 F160 L163 N243 L244 L245 A250 I251I122-A247 HydrophobicContact CD1-CB 4.18Å; I122-A247 HydrophobicContact CG1-CB 3.87Å; I122-A247 HydrophobicContact CG2-CB 4.39Å; F160-A247 HydrophobicContact CD2-CB 4.3Å; F160-A247 HydrophobicContact CE2-CB 4.07Å; L163-A247 HydrophobicContact CD2-CB 3.25Å; N243-A247 WeakPolarHBondContact O-CB 3.49Å; N243-A247 PolarHBondContact O-N 3.12Å; L244-A247 PolarHBondContact O-N 3.37Å; L245-A247 VanDerWaalsContact C-N 3.28Å; L245-A247 PolarHBondContact O-N 3.18Å; A247-A250 WeakPolarHBondContact O-CB 3.18Å; A247-A250 PolarHBondContact O-N 3.01Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 3.08Å
248L98.4Very high97Very high0 Ų034.7 Ų34.70%020%0.202CC..Hα-helixtrans-66.7-39.6178.5-67173.6000111.4L163 F205 F209 L236 M240 L244 L245 I251 V252L163-L248 HydrophobicContact CD1-CD2 4.14Å; L163-L248 HydrophobicContact CD2-CD2 4.32Å; L163-L248 HydrophobicContact CD2-CG 4.46Å; F205-L248 HydrophobicContact CB-CD1 4.18Å; F209-L248 HydrophobicContact CB-CD2 3.69Å; F209-L248 HydrophobicContact CD1-CB 4.22Å; F209-L248 HydrophobicContact CD1-CD2 3.4Å; F209-L248 VanDerWaalsContact CD1-CD2 3.4Å; F209-L248 HydrophobicContact CD1-CG 4.39Å; F209-L248 HydrophobicContact CD2-CD2 4.29Å; F209-L248 HydrophobicContact CE1-CB 4.05Å; F209-L248 HydrophobicContact CE1-CD2 4.01Å; F209-L248 HydrophobicContact CG-CD2 3.55Å; L236-L248 HydrophobicContact CD1-CB 4.32Å; L236-L248 HydrophobicContact CD2-CB 4.29Å; L236-L248 HydrophobicContact CD2-CD1 4.2Å; M240-L248 HydrophobicContact CE-CD1 3.68Å; M240-L248 HydrophobicContact SD-CD1 3.36Å; M240-L248 WeakPolarHBondContact SD-CD1 3.19Å; M240-L248 HydrophobicContact SD-CG 4.48Å; L244-L248 HydrophobicContact CD1-CD1 3.83Å; L244-L248 HydrophobicContact CD1-CG 4.15Å; L244-L248 HydrophobicContact CG-CD1 3.96Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 2.79Å; L245-L248 PolarHBondContact O-N 3.34Å; L248-I251 HydrophobicContact CD2-CD1 4.46Å; L248-I251 PolarHBondContact O-N 3.35Å; L248-V252 WeakPolarHBondContact O-CG2 3.34Å; L248-V252 PolarHBondContact O-N 2.99Å
249L98.3Very high97.1Very high14 Ų1432.1 Ų32.17%0.07318%0.184CC..Hα-helixtrans-61.3-42.1171-72.1176.7000111.9E233 L236 K237 L245 I251 V252 Q253E233-L249 HydrophobicContact CB-CD2 4.15Å; E233-L249 HydrophobicContact CG-CD2 4.24Å; L236-L249 HydrophobicContact CB-CD2 4.41Å; L236-L249 HydrophobicContact CD1-CD2 4.12Å; K237-L249 HydrophobicContact CG-CD1 4.24Å; L245-L249 HydrophobicContact CD1-CD1 3.72Å; L245-L249 HydrophobicContact CD1-CD2 4.42Å; L245-L249 HydrophobicContact CD1-CG 3.78Å; L245-L249 HydrophobicContact CD2-CD1 4.5Å; L245-L249 HydrophobicContact CG-CD1 3.89Å; L245-L249 HydrophobicContact CG-CG 4.32Å; L245-L249 WeakPolarHBondContact O-CB 3.22Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 2.94Å; L249-I251 VanDerWaalsContact C-N 3.29Å; L249-I251 PolarHBondContact O-N 3.49Å; L249-V252 PolarHBondContact O-N 2.7Å; L249-Q253 WeakPolarHBondContact O-CB 3.4Å; L249-Q253 WeakPolarHBondContact O-CG 3.32Å; L249-Q253 PolarHBondContact O-N 2.93Å
250A98.5Very high97.3Very high2 Ų233.1 Ų33.12%0.01719%0.191CC..Hα-helixtrans-60.3-39.4176.200000112.1I122 C126 Q246 A247 C254 Y261I122-A250 HydrophobicContact CG2-CB 3.65Å; C126-A250 HydrophobicContact CB-CB 4.27Å; Q246-A250 WeakPolarHBondContact O-CB 3.46Å; Q246-A250 PolarHBondContact O-N 3.35Å; A247-A250 WeakPolarHBondContact O-CB 3.18Å; A247-A250 PolarHBondContact O-N 3.01Å; A250-C254 VanDerWaalsContact O-CB 3.28Å; A250-C254 WeakPolarHBondContact O-CB 3.38Å; A250-C254 PolarHBondContact O-N 3.38Å; A250-C254 PolarHBondContact O-SG 3.3Å; A250-Y261 HydrophobicContact CB-CD2 4.47Å; A250-Y261 HydrophobicContact CB-CE2 3.58Å
251I98.2Very high97.5Very high3 Ų332.7 Ų32.72%0.01519%0.188CC..Hα-helixtrans-63.6-47.6174.7-67.6168.9000110.9C126 L163 L167 F209 L217 A247 L248 L249 C254 A255C126-I251 HydrophobicContact CB-CG1 3.83Å; L163-I251 HydrophobicContact CD1-CD1 4.33Å; L167-I251 HydrophobicContact CD2-CD1 4.44Å; F209-I251 HydrophobicContact CB-CD1 4.3Å; F209-I251 HydrophobicContact CD1-CB 4.03Å; F209-I251 HydrophobicContact CD1-CD1 4.37Å; F209-I251 HydrophobicContact CD1-CG2 3.75Å; F209-I251 HydrophobicContact CE1-CG2 4.48Å; L217-I251 HydrophobicContact CD1-CG2 3.63Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 3.08Å; L248-I251 HydrophobicContact CD2-CD1 4.46Å; L248-I251 PolarHBondContact O-N 3.35Å; L249-I251 VanDerWaalsContact C-N 3.29Å; L249-I251 PolarHBondContact O-N 3.49Å; I251-C254 PolarHBondContact O-N 3.04Å; I251-A255 WeakPolarHBondContact O-CB 3.45Å; I251-A255 PolarHBondContact O-N 3.39Å
252V97.6Very high97.7Very high2 Ų228 Ų281%0.01216%0.156CC..Hα-helixtrans-60-48.9176.7175.20000111.4F209 L232 E233 L236 L248 L249 C254 A255 N256F209-V252 HydrophobicContact CE1-CG2 3.51Å; F209-V252 HydrophobicContact CZ-CG2 3.94Å; L232-V252 HydrophobicContact CD2-CG2 4.49Å; E233-V252 HydrophobicContact CG-CG1 3.81Å; L236-V252 HydrophobicContact CD1-CG2 3.98Å; L248-V252 WeakPolarHBondContact O-CG2 3.34Å; L248-V252 PolarHBondContact O-N 2.99Å; L249-V252 PolarHBondContact O-N 2.7Å; V252-C254 VanDerWaalsContact C-N 3.3Å; V252-C254 PolarHBondContact O-N 3.07Å; V252-A255 WeakPolarHBondContact O-CB 3.44Å; V252-A255 PolarHBondContact O-N 3.45Å; V252-A255 VanDerWaalsContact O-N 3.16Å; V252-N256 WeakPolarHBondContact CG1-ND2 3.44Å; V252-N256 PolarHBondContact O-N 3.44Å; V252-N256 PolarHBondContact O-ND2 3.4Å
253Q97.3Very high97.7Very high63 Ų6325.9 Ų25.929%0.29413%0.133SC..Hα-helixtrans-59.3-43.3180-72.5172.4-3100111.1L249 N256 N257 Y261L249-Q253 WeakPolarHBondContact O-CB 3.4Å; L249-Q253 WeakPolarHBondContact O-CG 3.32Å; L249-Q253 PolarHBondContact O-N 2.93Å; Q253-N256 PolarHBondContact O-N 2.68Å; Q253-N257 CarbonylContact O-C 3.51Å; Q253-N257 VanDerWaalsContact O-C 3.23Å; Q253-N257 PolarHBondContact O-N 3.24Å; Q253-Y261 HydrophobicContact CB-CD2 3.96Å
254C96.7Very high97.7Very high14 Ų1425 Ų2510%0.09513%0.128CC..Hα-helixtrans-68-34.7176.7-73.50000113.8T127 A250 I251 V252 N256 K258T127-C254 WeakPolarHBondContact CG2-SG 3.2Å; A250-C254 VanDerWaalsContact O-CB 3.28Å; A250-C254 WeakPolarHBondContact O-CB 3.38Å; A250-C254 PolarHBondContact O-N 3.38Å; A250-C254 PolarHBondContact O-SG 3.3Å; I251-C254 PolarHBondContact O-N 3.04Å; V252-C254 VanDerWaalsContact C-N 3.3Å; V252-C254 PolarHBondContact O-N 3.07Å; C254-N256 VanDerWaalsContact C-N 3.32Å; C254-K258 HydrophobicContact CB-CB 4.48Å
255A95.7Very high97.8Very high12 Ų1226 Ų2610%0.09913%0.132CC..Hα-helixtrans-66.1-36.5173.300000111.9P214 L217 I251 V252P214-A255 HydrophobicContact CB-CB 4.31Å; P214-A255 WeakPolarHBondContact O-CB 3.37Å; L217-A255 HydrophobicContact CB-CB 3.98Å; I251-A255 WeakPolarHBondContact O-CB 3.45Å; I251-A255 PolarHBondContact O-N 3.39Å; V252-A255 WeakPolarHBondContact O-CB 3.44Å; V252-A255 PolarHBondContact O-N 3.45Å; V252-A255 VanDerWaalsContact O-N 3.16Å
256N94.7Very high97.8Very high55 Ų5525.1 Ų25.129%0.29413%0.128SC..Hα-helixtrans-78.8-54.8-179.3-75.8-32.4000112.9K218 V252 Q253 C254K218-N256 PolarHBondContact NZ-O 2.95Å; K218-N256 VanDerWaalsContact NZ-O 3.13Å; V252-N256 WeakPolarHBondContact CG1-ND2 3.44Å; V252-N256 PolarHBondContact O-N 3.44Å; V252-N256 PolarHBondContact O-ND2 3.4Å; Q253-N256 PolarHBondContact O-N 2.68Å; C254-N256 VanDerWaalsContact C-N 3.32Å
257N95.9Very high97.8Very high51 Ų5122.5 Ų22.527%0.27312%0.115SC..Hα-helixtrans-158.991.8-177.7-174.9-12.7000110.3Q253 A259 L260 Y261 E298Q253-N257 CarbonylContact O-C 3.51Å; Q253-N257 VanDerWaalsContact O-C 3.23Å; Q253-N257 PolarHBondContact O-N 3.24Å; N257-A259 VanDerWaalsContact C-N 3.29Å; N257-A259 PolarHBondContact O-N 3.19Å; N257-A259 PolarHBondContact OD1-N 2.62Å; N257-L260 HydrophobicContact CB-CB 3.95Å; N257-L260 VanDerWaalsContact CG-CB 3.43Å; N257-L260 WeakPolarHBondContact ND2-CB 3.14Å; N257-L260 PolarHBondContact O-N 3.28Å; N257-L260 PolarHBondContact OD1-N 3.04Å; N257-Y261 PolarHBondContact O-N 3.44Å; N257-Y261 VanDerWaalsContact O-N 3.14Å; N257-E298 PolarHBondContact ND2-OE2 2.8Å
258K97.1Very high97.8Very high58 Ų5828.4 Ų28.425%0.25214%0.14SC..Hα-helixtrans-62.4-32.2179-175.2173.7-73.1-1770113.4T127 C254 Y261 F262T127-K258 PolarHBondContact O-NZ 3.04Å; C254-K258 HydrophobicContact CB-CB 4.48Å; K258-Y261 WeakPolarHBondContact O-CB 3.34Å; K258-Y261 PolarHBondContact O-N 2.85Å; K258-F262 HydrophobicContact CD-CE2 4.13Å; K258-F262 HydrophobicContact CG-CD2 3.99Å; K258-F262 HydrophobicContact CG-CE2 3.8Å; K258-F262 WeakPolarHBondContact O-CD2 3.48Å; K258-F262 PolarHBondContact O-N 3.2Å
259A98Very high97.7Very high7 Ų728.6 Ų28.66%0.05814%0.142CC..Hα-helixtrans-65.7-42.7177.200000111.2N257 Y261 F262 A263 L294 I295 E298N257-A259 VanDerWaalsContact C-N 3.29Å; N257-A259 PolarHBondContact O-N 3.19Å; N257-A259 PolarHBondContact OD1-N 2.62Å; A259-Y261 VanDerWaalsContact C-N 3.34Å; A259-Y261 PolarHBondContact O-N 2.87Å; A259-F262 PolarHBondContact O-N 2.92Å; A259-A263 WeakPolarHBondContact O-CB 2.96Å; A259-A263 PolarHBondContact O-N 3.01Å; A259-L294 HydrophobicContact CB-CB 3.93Å; A259-I295 HydrophobicContact CB-CG1 4.05Å; A259-E298 HydrophobicContact CB-CG 3.72Å
260L98.2Very high97.7Very high67 Ų6728 Ų2835%0.35114%0.139SC..Hα-helixtrans-64.5-36.6174.8-179.961.9000112.5N257 A263 D264 E298 L302N257-L260 HydrophobicContact CB-CB 3.95Å; N257-L260 VanDerWaalsContact CG-CB 3.43Å; N257-L260 WeakPolarHBondContact ND2-CB 3.14Å; N257-L260 PolarHBondContact O-N 3.28Å; N257-L260 PolarHBondContact OD1-N 3.04Å; L260-A263 PolarHBondContact O-N 3.41Å; L260-D264 WeakPolarHBondContact O-CB 3.48Å; L260-D264 PolarHBondContact O-N 3.07Å; L260-E298 HydrophobicContact CB-CB 4.25Å; L260-E298 HydrophobicContact CB-CG 4.33Å; L260-E298 HydrophobicContact CD1-CB 4.27Å; L260-L302 HydrophobicContact CD1-CB 4.43Å; L260-L302 HydrophobicContact CD1-CD2 4.3Å
261Y98.5Very high97.6Very high6 Ų635 Ų352%0.02417%0.169CC..Hα-helixtrans-56.8-50.8173.5170.5-95.3000111.8E123 T127 A250 Q253 N257 K258 A259 D264 K265E123-Y261 WeakPolarHBondContact CA-OH 3.44Å; E123-Y261 HydrophobicContact CG-CE1 4.35Å; T127-Y261 HydrophobicContact CG2-CD1 4.08Å; T127-Y261 HydrophobicContact CG2-CE1 3.6Å; A250-Y261 HydrophobicContact CB-CD2 4.47Å; A250-Y261 HydrophobicContact CB-CE2 3.58Å; Q253-Y261 HydrophobicContact CB-CD2 3.96Å; N257-Y261 PolarHBondContact O-N 3.44Å; N257-Y261 VanDerWaalsContact O-N 3.14Å; K258-Y261 WeakPolarHBondContact O-CB 3.34Å; K258-Y261 PolarHBondContact O-N 2.85Å; A259-Y261 VanDerWaalsContact C-N 3.34Å; A259-Y261 PolarHBondContact O-N 2.87Å; Y261-D264 PolarHBondContact O-N 3.11Å; Y261-K265 HydrophobicContact CE1-CG 4.19Å; Y261-K265 WeakPolarHBondContact O-CG 3.48Å; Y261-K265 PolarHBondContact O-N 3.49Å; Y261-K265 VanDerWaalsContact O-N 3.1Å; Y261-K265 VanDerWaalsContact OH-CE 3.3Å; Y261-K265 WeakPolarHBondContact OH-CE 3.37Å
262F98.7Very high97.3Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-70-33.3178.5-76.4-65.9000112.6E123 T127 K258 A259 K265 L266 I283 R287 I295E123-F262 HydrophobicContact CG-CE1 3.99Å; T127-F262 HydrophobicContact CG2-CE2 4.47Å; T127-F262 HydrophobicContact CG2-CZ 4.02Å; K258-F262 HydrophobicContact CD-CE2 4.13Å; K258-F262 HydrophobicContact CG-CD2 3.99Å; K258-F262 HydrophobicContact CG-CE2 3.8Å; K258-F262 WeakPolarHBondContact O-CD2 3.48Å; K258-F262 PolarHBondContact O-N 3.2Å; A259-F262 PolarHBondContact O-N 2.92Å; F262-K265 PolarHBondContact O-N 3.32Å; F262-L266 WeakPolarHBondContact O-CG 3.38Å; F262-L266 PolarHBondContact O-N 2.96Å; F262-I283 HydrophobicContact CB-CG2 4.19Å; F262-I283 HydrophobicContact CD1-CG1 4.23Å; F262-I283 HydrophobicContact CD1-CG2 3.84Å; F262-I283 HydrophobicContact CG-CG2 4.34Å; F262-R287 HydrophobicContact CD1-CG 4.37Å; F262-R287 HydrophobicContact CD2-CG 4.39Å; F262-R287 HydrophobicContact CE1-CG 4.48Å; F262-R287 HydrophobicContact CG-CG 4.33Å; F262-I295 HydrophobicContact CB-CD1 3.6Å; F262-I295 HydrophobicContact CB-CG1 3.95Å; F262-I295 HydrophobicContact CB-CG2 4.19Å; F262-I295 HydrophobicContact CD2-CD1 4.07Å; F262-I295 HydrophobicContact CG-CD1 4.07Å
263A98.8Very high96.8Very high0 Ų043.1 Ų43.10%024%0.243CC..Hα-helixtrans-61.3-44.1173.400000112.1A259 L260 K265 L266 K267 I295 E298 F299A259-A263 WeakPolarHBondContact O-CB 2.96Å; A259-A263 PolarHBondContact O-N 3.01Å; L260-A263 PolarHBondContact O-N 3.41Å; A263-K265 VanDerWaalsContact C-N 3.34Å; A263-K265 PolarHBondContact O-N 2.97Å; A263-L266 PolarHBondContact O-N 3.44Å; A263-K267 WeakPolarHBondContact O-CB 3.22Å; A263-K267 PolarHBondContact O-N 2.98Å; A263-I295 HydrophobicContact CB-CG2 4.23Å; A263-E298 HydrophobicContact CB-CB 3.97Å; A263-F299 HydrophobicContact CB-CB 3.9Å; A263-F299 HydrophobicContact CB-CD2 4.45Å; A263-F299 WeakPolarHBondContact O-CD2 3.46Å
264D98.6Very high96.5Very high36 Ų3642.7 Ų42.719%0.19326%0.255CS..Hα-helixtrans-63.2-39.5174.3175.169.4000112L260 Y261 K267 K268 L302L260-D264 WeakPolarHBondContact O-CB 3.48Å; L260-D264 PolarHBondContact O-N 3.07Å; Y261-D264 PolarHBondContact O-N 3.11Å; D264-K267 PolarHBondContact O-N 3.32Å; D264-K268 WeakPolarHBondContact O-CB 3.36Å; D264-K268 VanDerWaalsContact O-CG 3.3Å; D264-K268 WeakPolarHBondContact O-CG 3.36Å; D264-K268 PolarHBondContact O-N 3.04Å; D264-K268 WeakPolarHBondContact OD1-CE 3.35Å; D264-K268 IonicContact OD1-NZ 2.84Å; D264-K268 WeakPolarHBondContact OD2-CE 3.41Å; D264-K268 IonicContact OD2-NZ 3.85Å; D264-K268 PolarHBondContact OD2-NZ 2.79Å; D264-L302 VanDerWaalsContact CA-CD2 3.5Å; D264-L302 HydrophobicContact CB-CD2 3.83Å
265K98.6Very high96.5Very high36 Ų3643.4 Ų43.416%0.15726%0.259CS..Hα-helixtrans-63.5-45.7174.1-72.3-71.2-164.9164.90112.8Y261 F262 A263 K267 K268 S269 I283Y261-K265 HydrophobicContact CE1-CG 4.19Å; Y261-K265 WeakPolarHBondContact O-CG 3.48Å; Y261-K265 PolarHBondContact O-N 3.49Å; Y261-K265 VanDerWaalsContact O-N 3.1Å; Y261-K265 VanDerWaalsContact OH-CE 3.3Å; Y261-K265 WeakPolarHBondContact OH-CE 3.37Å; F262-K265 PolarHBondContact O-N 3.32Å; A263-K265 VanDerWaalsContact C-N 3.34Å; A263-K265 PolarHBondContact O-N 2.97Å; K265-K267 VanDerWaalsContact C-N 3.33Å; K265-K267 PolarHBondContact O-N 3.22Å; K265-K268 PolarHBondContact O-N 2.97Å; K265-S269 PolarHBondContact O-N 2.98Å; K265-I283 HydrophobicContact CB-CD1 3.53Å
266L98.7Very high96.5Very high0 Ų046.3 Ų46.30%027%0.273CS..Hα-helixtrans-60.6-42.7174.1-75.4168.1000111.5F262 A263 K268 S269 M270 L280 I283 I284 I295 F299 L307F262-L266 WeakPolarHBondContact O-CG 3.38Å; F262-L266 PolarHBondContact O-N 2.96Å; A263-L266 PolarHBondContact O-N 3.44Å; L266-K268 VanDerWaalsContact C-N 3.32Å; L266-K268 PolarHBondContact O-N 3.4Å; L266-S269 PolarHBondContact O-N 2.9Å; L266-S269 PolarHBondContact O-OG 3.15Å; L266-M270 HydrophobicContact CB-CE 4.3Å; L266-M270 VanDerWaalsContact O-CE 3.23Å; L266-M270 WeakPolarHBondContact O-CE 3.38Å; L266-M270 PolarHBondContact O-N 2.96Å; L266-L280 HydrophobicContact CD2-CD1 3.6Å; L266-I283 HydrophobicContact CD1-CG2 3.97Å; L266-I283 HydrophobicContact CD2-CB 3.84Å; L266-I283 HydrophobicContact CD2-CD1 4.21Å; L266-I283 HydrophobicContact CD2-CG2 3.77Å; L266-I283 HydrophobicContact CG-CB 4.24Å; L266-I283 HydrophobicContact CG-CD1 4.22Å; L266-I283 HydrophobicContact CG-CG2 3.7Å; L266-I284 HydrophobicContact CD1-CD1 4.31Å; L266-I284 HydrophobicContact CD2-CD1 3.87Å; L266-I284 HydrophobicContact CD2-CG1 4.26Å; L266-I295 HydrophobicContact CD1-CG2 3.56Å; L266-F299 HydrophobicContact CB-CD2 3.87Å; L266-F299 HydrophobicContact CB-CE2 3.76Å; L266-L307 HydrophobicContact CB-CD1 4.39Å; L266-L307 HydrophobicContact CD1-CD1 4.08Å; L266-L307 HydrophobicContact CD1-CD2 3.83Å
267K98.4Very high96.7Very high45 Ų4545.1 Ų45.120%0.19627%0.266CS..Hα-helixtrans-62.6-43.6177.4-175.9178.1-180-178.80110.2A263 D264 K265 S269 M270 K271 F299 L302 A303 W310A263-K267 WeakPolarHBondContact O-CB 3.22Å; A263-K267 PolarHBondContact O-N 2.98Å; D264-K267 PolarHBondContact O-N 3.32Å; K265-K267 VanDerWaalsContact C-N 3.33Å; K265-K267 PolarHBondContact O-N 3.22Å; K267-S269 VanDerWaalsContact C-N 3.31Å; K267-S269 PolarHBondContact O-N 2.92Å; K267-M270 PolarHBondContact O-N 2.7Å; K267-K271 WeakPolarHBondContact O-CA 3.43Å; K267-K271 WeakPolarHBondContact O-CB 3.18Å; K267-K271 PolarHBondContact O-N 3.17Å; K267-F299 HydrophobicContact CB-CD2 4.49Å; K267-F299 HydrophobicContact CB-CE2 3.91Å; K267-L302 HydrophobicContact CB-CD2 4.45Å; K267-L302 HydrophobicContact CD-CD2 3.97Å; K267-L302 HydrophobicContact CD-CG 3.88Å; K267-L302 PolarHBondContact NZ-O 3.21Å; K267-A303 HydrophobicContact CD-CB 4.2Å; K267-W310 HydrophobicContact CG-CH2 4.11Å; K267-W310 HydrophobicContact CG-CZ3 4.23Å
268K98.1Very high96.8Very high126 Ų12649.3 Ų49.355%0.54828%0.278SS..Hα-helixtrans-65.2-30.9176.3-75.3168.5178.3168.10113.2D264 K265 L266 M270D264-K268 WeakPolarHBondContact O-CB 3.36Å; D264-K268 VanDerWaalsContact O-CG 3.3Å; D264-K268 WeakPolarHBondContact O-CG 3.36Å; D264-K268 PolarHBondContact O-N 3.04Å; D264-K268 WeakPolarHBondContact OD1-CE 3.35Å; D264-K268 IonicContact OD1-NZ 2.84Å; D264-K268 WeakPolarHBondContact OD2-CE 3.41Å; D264-K268 IonicContact OD2-NZ 3.85Å; D264-K268 PolarHBondContact OD2-NZ 2.79Å; K265-K268 PolarHBondContact O-N 2.97Å; L266-K268 VanDerWaalsContact C-N 3.32Å; L266-K268 PolarHBondContact O-N 3.4Å; K268-M270 VanDerWaalsContact C-N 3.31Å
269S98Very high96.9Very high4 Ų447.3 Ų47.33%0.02827%0.27CS..Hα-helixtrans-73.2-22.8178.569.30000113.3K265 L266 K267 T275 N276K265-S269 PolarHBondContact O-N 2.98Å; L266-S269 PolarHBondContact O-N 2.9Å; L266-S269 PolarHBondContact O-OG 3.15Å; K267-S269 VanDerWaalsContact C-N 3.31Å; K267-S269 PolarHBondContact O-N 2.92Å; S269-T275 CarbonylContact O-C 3.23Å; S269-T275 WeakPolarHBondContact O-CA 3.2Å; S269-N276 PolarHBondContact O-N 3.29Å
270M98.2Very high96.9Very high2 Ų247 Ų471%0.0127%0.268CS..Hα-helixtrans-111.7-16.9-179.5-64.9176.2-68.900113.2L266 K267 K268 G272 T275 L280 F299 L307 W310 I311 D314L266-M270 HydrophobicContact CB-CE 4.3Å; L266-M270 VanDerWaalsContact O-CE 3.23Å; L266-M270 WeakPolarHBondContact O-CE 3.38Å; L266-M270 PolarHBondContact O-N 2.96Å; K267-M270 PolarHBondContact O-N 2.7Å; K268-M270 VanDerWaalsContact C-N 3.31Å; M270-G272 PolarHBondContact O-N 3.48Å; M270-T275 HydrophobicContact CG-CG2 4.18Å; M270-L280 HydrophobicContact CE-CD1 4.38Å; M270-L280 HydrophobicContact CG-CD1 4.49Å; M270-L280 HydrophobicContact CG-CD2 4.17Å; M270-L280 HydrophobicContact SD-CD1 4.02Å; M270-L280 HydrophobicContact SD-CD2 4.11Å; M270-F299 HydrophobicContact CE-CE2 3.72Å; M270-F299 HydrophobicContact CE-CZ 3.64Å; M270-L307 HydrophobicContact CE-CD1 3.62Å; M270-W310 HydrophobicContact CB-CE3 3.86Å; M270-W310 HydrophobicContact CB-CZ3 4.39Å; M270-W310 HydrophobicContact CE-CB 3.92Å; M270-W310 HydrophobicContact CE-CE3 4.42Å; M270-W310 HydrophobicContact SD-CB 3.95Å; M270-I311 HydrophobicContact SD-CG1 3.94Å; M270-D314 HydrophobicContact CB-CB 4.26Å; M270-D314 HydrophobicContact CG-CB 4.22Å
271K95.4Very high96.9Very high148 Ų14844.2 Ų44.264%0.64325%0.253SS*.SBendtrans-71.7120.8-177.2-178.1-173.8-178.2-173.20111.6K267 W310K267-K271 WeakPolarHBondContact O-CA 3.43Å; K267-K271 WeakPolarHBondContact O-CB 3.18Å; K267-K271 PolarHBondContact O-N 3.17Å; K271-W310 HydrophobicContact CB-CZ3 4.16Å
272G92.7Very high96.9Very high63 Ų6344 Ų4465%0.64925%0.252SS*.SBendtrans119.6-147.3167.400000111.2M270M270-G272 PolarHBondContact O-N 3.48Å
273A87.5Confident96.9Very high113 Ų11344 Ų4493%0.93425%0.252SS*.SBendtrans-88.3119.8172.400000109.5
274G91Very high96.9Very high53 Ų5344 Ų4455%0.54625%0.252SS..SBendtrans78179.1179.500000113.6
275T95.3Very high96.9Very high30 Ų3043 Ų4318%0.18425%0.247CC..  trans-125.1137.3-170.7-510000109.4S269 M270 D277 L280 D314S269-T275 CarbonylContact O-C 3.23Å; S269-T275 WeakPolarHBondContact O-CA 3.2Å; M270-T275 HydrophobicContact CG-CG2 4.18Å; T275-D277 PolarHBondContact O-N 3.09Å; T275-D277 VanDerWaalsContact O-OD2 3.13Å; T275-L280 HydrophobicContact CG2-CD2 3.93Å; T275-D314 PolarHBondContact OG1-O 2.94Å
276N97.3Very high96.9Very high72 Ų7242.3 Ų42.339%0.38525%0.247SC..  trans-8477.1162.1-174.8-11.9000108S269 R278 D279 L280S269-N276 PolarHBondContact O-N 3.29Å; N276-R278 PolarHBondContact O-N 3.26Å; N276-R278 VanDerWaalsContact O-N 3.15Å; N276-D279 HydrophobicContact CB-CB 4.35Å; N276-D279 PolarHBondContact ND2-OD2 3.18Å; N276-D279 PolarHBondContact O-N 2.51Å; N276-D279 VanDerWaalsContact O-N 3.1Å; N276-D279 PolarHBondContact OD1-N 3.17Å; N276-L280 PolarHBondContact O-N 3.16Å
277D98.2Very high96.9Very high30 Ų3042.9 Ų42.916%0.1625%0.249CC..Hα-helixtrans-57-32-172.6-61.9-79.6000112.6H87 T275 L280 I281 Y319H87-D277 IonicContact CD2-OD1 3.8Å; H87-D277 IonicContact CD2-OD2 3.18Å; H87-D277 IonicContact NE2-OD2 3.65Å; H87-D277 PolarHBondContact NE2-OD2 3.11Å; T275-D277 PolarHBondContact O-N 3.09Å; T275-D277 VanDerWaalsContact O-OD2 3.13Å; D277-L280 PolarHBondContact O-N 3.33Å; D277-I281 WeakPolarHBondContact O-CB 3.26Å; D277-I281 WeakPolarHBondContact O-CD1 3.15Å; D277-I281 WeakPolarHBondContact O-CG1 3.21Å; D277-I281 PolarHBondContact O-N 3.08Å; D277-Y319 HydrophobicContact CB-CE1 4.41Å; D277-Y319 PolarHBondContact O-OH 3.01Å; D277-Y319 WeakPolarHBondContact OD1-CE1 3.45Å; D277-Y319 PolarHBondContact OD1-OH 2.84Å
278R97.6Very high96.9Very high140 Ų14040.8 Ų40.853%0.52824%0.24SC..Hα-helixtrans-67.5-44.2177.8-74.4-171.6174.7175.71112.7N276 L280 R282N276-R278 PolarHBondContact O-N 3.26Å; N276-R278 VanDerWaalsContact O-N 3.15Å; R278-L280 VanDerWaalsContact C-N 3.33Å; R278-R282 WeakPolarHBondContact O-CB 3.3Å; R278-R282 PolarHBondContact O-N 3.38Å
279D98.4Very high96.8Very high16 Ų1637.2 Ų37.29%0.08623%0.225CC..Hα-helixtrans-65.7-41.6176-743.3000110.4N276 R282 I283N276-D279 HydrophobicContact CB-CB 4.35Å; N276-D279 PolarHBondContact ND2-OD2 3.18Å; N276-D279 PolarHBondContact O-N 2.51Å; N276-D279 VanDerWaalsContact O-N 3.1Å; N276-D279 PolarHBondContact OD1-N 3.17Å; D279-R282 PolarHBondContact O-N 2.93Å; D279-R282 IonicContact OD1-CZ 3.93Å; D279-R282 VanDerWaalsContact OD1-CZ 3.26Å; D279-R282 IonicContact OD1-NH1 3.09Å; D279-R282 PolarHBondContact OD1-NH1 3.36Å; D279-R282 IonicContact OD1-NH2 3.58Å; D279-R282 PolarHBondContact OD1-NH2 3.35Å; D279-R282 IonicContact OD2-NH2 3.58Å; D279-I283 WeakPolarHBondContact O-CB 3.33Å; D279-I283 WeakPolarHBondContact O-CD1 3.3Å; D279-I283 VanDerWaalsContact O-CG1 3.22Å; D279-I283 WeakPolarHBondContact O-CG1 3.22Å; D279-I283 PolarHBondContact O-N 3.29Å
280L98.8Very high96.8Very high0 Ų039.8 Ų39.80%024%0.238CC..Hα-helixtrans-58-53.6174.9179.956.5000111.2L266 M270 T275 N276 D277 R278 R282 I283 I284 I311 T315 L323L266-L280 HydrophobicContact CD2-CD1 3.6Å; M270-L280 HydrophobicContact CE-CD1 4.38Å; M270-L280 HydrophobicContact CG-CD1 4.49Å; M270-L280 HydrophobicContact CG-CD2 4.17Å; M270-L280 HydrophobicContact SD-CD1 4.02Å; M270-L280 HydrophobicContact SD-CD2 4.11Å; T275-L280 HydrophobicContact CG2-CD2 3.93Å; N276-L280 PolarHBondContact O-N 3.16Å; D277-L280 PolarHBondContact O-N 3.33Å; R278-L280 VanDerWaalsContact C-N 3.33Å; L280-R282 PolarHBondContact O-N 2.84Å; L280-I283 PolarHBondContact O-N 3.39Å; L280-I284 HydrophobicContact CD1-CD1 4.48Å; L280-I284 HydrophobicContact CD1-CG1 3.94Å; L280-I284 VanDerWaalsContact O-CG1 3.3Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 3.34Å; L280-I311 HydrophobicContact CD1-CG1 4.34Å; L280-T315 HydrophobicContact CD2-CG2 3.75Å; L280-L323 HydrophobicContact CD2-CD1 3.71Å; L280-L323 HydrophobicContact CG-CD1 4.03Å
281I98.8Very high96.7Very high8 Ų840.5 Ų40.54%0.04124%0.242CC..Hα-helixtrans-57.3-50.6177.7-70164.3000110.8H87 D90 T91 A94 D277 I283 I284 V285 Y319H87-I281 HydrophobicContact CB-CD1 4.18Å; D90-I281 HydrophobicContact CB-CD1 4.04Å; T91-I281 HydrophobicContact CG2-CG2 4.49Å; T91-I281 WeakPolarHBondContact OG1-CD1 3.31Å; T91-I281 WeakPolarHBondContact OG1-CG1 3.43Å; A94-I281 HydrophobicContact CB-CG2 4.29Å; D277-I281 WeakPolarHBondContact O-CB 3.26Å; D277-I281 WeakPolarHBondContact O-CD1 3.15Å; D277-I281 WeakPolarHBondContact O-CG1 3.21Å; D277-I281 PolarHBondContact O-N 3.08Å; I281-I283 VanDerWaalsContact C-N 3.31Å; I281-I283 PolarHBondContact O-N 3.05Å; I281-I284 PolarHBondContact O-N 3.25Å; I281-V285 HydrophobicContact CG2-CG2 4.04Å; I281-V285 WeakPolarHBondContact O-CB 3.33Å; I281-V285 WeakPolarHBondContact O-CG2 3.42Å; I281-V285 PolarHBondContact O-N 3.47Å; I281-Y319 HydrophobicContact CD1-CE2 3.71Å; I281-Y319 HydrophobicContact CG1-CE2 3.59Å; I281-Y319 WeakPolarHBondContact CG1-OH 3.43Å
282R98.8Very high96.9Very high2 Ų233.4 Ų33.41%0.00821%0.211CC..Hα-helixtrans-59.8-43.3-175.9-174.9177.564.3-102.5-3111.8F102 E106 E123 R278 D279 L280 S286F102-R282 HydrophobicContact CE1-CB 4.36Å; F102-R282 HydrophobicContact CE1-CG 4.03Å; F102-R282 HydrophobicContact CZ-CB 4.1Å; F102-R282 HydrophobicContact CZ-CG 4.1Å; E106-R282 HydrophobicContact CG-CG 4.16Å; E106-R282 IonicContact OE2-NH1 2.97Å; E123-R282 IonicContact OE1-CZ 3.38Å; E123-R282 IonicContact OE1-NE 2.73Å; E123-R282 PolarHBondContact OE1-NE 3.47Å; E123-R282 IonicContact OE1-NH2 3.91Å; E123-R282 IonicContact OE2-CZ 2.62Å; E123-R282 IonicContact OE2-NE 2.62Å; E123-R282 PolarHBondContact OE2-NE 2.87Å; E123-R282 IonicContact OE2-NH2 3.79Å; E123-R282 PolarHBondContact OE2-NH2 3.19Å; R278-R282 WeakPolarHBondContact O-CB 3.3Å; R278-R282 PolarHBondContact O-N 3.38Å; D279-R282 PolarHBondContact O-N 2.93Å; D279-R282 IonicContact OD1-CZ 3.93Å; D279-R282 VanDerWaalsContact OD1-CZ 3.26Å; D279-R282 IonicContact OD1-NH1 3.09Å; D279-R282 PolarHBondContact OD1-NH1 3.36Å; D279-R282 IonicContact OD1-NH2 3.58Å; D279-R282 PolarHBondContact OD1-NH2 3.35Å; D279-R282 IonicContact OD2-NH2 3.58Å; L280-R282 PolarHBondContact O-N 2.84Å; R282-S286 WeakPolarHBondContact O-CB 3.48Å; R282-S286 PolarHBondContact O-N 2.93Å; R282-S286 PolarHBondContact O-OG 3.27Å
283I98.8Very high97.1Very high0 Ų034.5 Ų34.50%020%0.199CC..Hα-helixtrans-71.2-46.9179-60.8161.7000110.5F262 K265 L266 D279 L280 I281 V285 S286 R287F262-I283 HydrophobicContact CB-CG2 4.19Å; F262-I283 HydrophobicContact CD1-CG1 4.23Å; F262-I283 HydrophobicContact CD1-CG2 3.84Å; F262-I283 HydrophobicContact CG-CG2 4.34Å; K265-I283 HydrophobicContact CB-CD1 3.53Å; L266-I283 HydrophobicContact CD1-CG2 3.97Å; L266-I283 HydrophobicContact CD2-CB 3.84Å; L266-I283 HydrophobicContact CD2-CD1 4.21Å; L266-I283 HydrophobicContact CD2-CG2 3.77Å; L266-I283 HydrophobicContact CG-CB 4.24Å; L266-I283 HydrophobicContact CG-CD1 4.22Å; L266-I283 HydrophobicContact CG-CG2 3.7Å; D279-I283 WeakPolarHBondContact O-CB 3.33Å; D279-I283 WeakPolarHBondContact O-CD1 3.3Å; D279-I283 VanDerWaalsContact O-CG1 3.22Å; D279-I283 WeakPolarHBondContact O-CG1 3.22Å; D279-I283 PolarHBondContact O-N 3.29Å; L280-I283 PolarHBondContact O-N 3.39Å; I281-I283 VanDerWaalsContact C-N 3.31Å; I281-I283 PolarHBondContact O-N 3.05Å; I283-V285 PolarHBondContact O-N 3.32Å; I283-S286 PolarHBondContact O-OG 2.74Å; I283-R287 HydrophobicContact CG2-CG 4.04Å; I283-R287 VanDerWaalsContact O-CB 3.24Å; I283-R287 WeakPolarHBondContact O-CB 3.39Å; I283-R287 WeakPolarHBondContact O-CG 3.44Å; I283-R287 PolarHBondContact O-N 2.89Å
284I98.8Very high97.6Very high0 Ų030.7 Ų30.70%016%0.163CC..Hα-helixtrans-60.7-52179.8-64.5-52000111.2L266 L280 I281 S286 R287 C288 L292 L307 I311 L323 L326 V327L266-I284 HydrophobicContact CD1-CD1 4.31Å; L266-I284 HydrophobicContact CD2-CD1 3.87Å; L266-I284 HydrophobicContact CD2-CG1 4.26Å; L280-I284 HydrophobicContact CD1-CD1 4.48Å; L280-I284 HydrophobicContact CD1-CG1 3.94Å; L280-I284 VanDerWaalsContact O-CG1 3.3Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 3.34Å; I281-I284 PolarHBondContact O-N 3.25Å; I284-S286 PolarHBondContact O-N 2.86Å; I284-R287 PolarHBondContact O-N 2.99Å; I284-C288 WeakPolarHBondContact O-CB 3.32Å; I284-C288 PolarHBondContact O-N 2.86Å; I284-C288 PolarHBondContact O-SG 3.43Å; I284-L292 HydrophobicContact CD1-CD1 3.94Å; I284-L292 HydrophobicContact CD1-CD2 4.03Å; I284-L292 HydrophobicContact CG2-CD2 4.24Å; I284-L307 HydrophobicContact CD1-CD2 3.95Å; I284-I311 HydrophobicContact CD1-CD1 4.49Å; I284-L323 HydrophobicContact CB-CD2 4.22Å; I284-L323 HydrophobicContact CG1-CD2 4.32Å; I284-L323 HydrophobicContact CG2-CD2 4.15Å; I284-L326 HydrophobicContact CG2-CB 3.71Å; I284-L326 HydrophobicContact CG2-CD1 3.9Å; I284-L326 HydrophobicContact CG2-CG 4.48Å; I284-V327 HydrophobicContact CD1-CG2 3.65Å; I284-V327 HydrophobicContact CG1-CG2 4.2Å; I284-V327 HydrophobicContact CG2-CG2 3.95Å
285V98.7Very high97.9Very high14 Ų1428.2 Ų28.29%0.08514%0.137CC..Hα-helixtrans-63.9-43.2-177.4174.50000111.4T91 A94 L95 F102 I281 I283 R287 C288 L326T91-V285 HydrophobicContact CG2-CG2 4.23Å; A94-V285 HydrophobicContact CB-CB 4.5Å; A94-V285 HydrophobicContact CB-CG1 4.09Å; A94-V285 HydrophobicContact CB-CG2 4.17Å; L95-V285 HydrophobicContact CD2-CG1 4.23Å; L95-V285 HydrophobicContact CD2-CG2 4.3Å; F102-V285 HydrophobicContact CD1-CG1 4.17Å; F102-V285 HydrophobicContact CE1-CB 4.01Å; F102-V285 HydrophobicContact CE1-CG1 3.98Å; F102-V285 HydrophobicContact CZ-CB 4.44Å; I281-V285 HydrophobicContact CG2-CG2 4.04Å; I281-V285 WeakPolarHBondContact O-CB 3.33Å; I281-V285 WeakPolarHBondContact O-CG2 3.42Å; I281-V285 PolarHBondContact O-N 3.47Å; I283-V285 PolarHBondContact O-N 3.32Å; V285-R287 VanDerWaalsContact C-N 3.32Å; V285-R287 PolarHBondContact O-N 3.2Å; V285-C288 PolarHBondContact O-SG 3.09Å; V285-C288 VanDerWaalsContact O-SG 3.34Å; V285-L326 HydrophobicContact CG2-CD1 4.16Å
286S98.4Very high98.1Very high22 Ų2228 Ų2815%0.15413%0.134CC..Hα-helixtrans-74.2-19.6-178.267.60000114.3R282 I283 I284 I290R282-S286 WeakPolarHBondContact O-CB 3.48Å; R282-S286 PolarHBondContact O-N 2.93Å; R282-S286 PolarHBondContact O-OG 3.27Å; I283-S286 PolarHBondContact O-OG 2.74Å; I284-S286 PolarHBondContact O-N 2.86Å; S286-I290 VanDerWaalsContact O-CD1 3.31Å; S286-I290 WeakPolarHBondContact O-CD1 3.42Å
287R98.2Very high98.1Very high13 Ų1331 Ų315%0.04914%0.14CC..Hα-helixtrans-110.8-18.9-174.9-53.2-48-63.5174.3-6114.7F262 I283 I284 V285 E289 I290 D291 L292 I295F262-R287 HydrophobicContact CD1-CG 4.37Å; F262-R287 HydrophobicContact CD2-CG 4.39Å; F262-R287 HydrophobicContact CE1-CG 4.48Å; F262-R287 HydrophobicContact CG-CG 4.33Å; I283-R287 HydrophobicContact CG2-CG 4.04Å; I283-R287 VanDerWaalsContact O-CB 3.24Å; I283-R287 WeakPolarHBondContact O-CB 3.39Å; I283-R287 WeakPolarHBondContact O-CG 3.44Å; I283-R287 PolarHBondContact O-N 2.89Å; I284-R287 PolarHBondContact O-N 2.99Å; V285-R287 VanDerWaalsContact C-N 3.32Å; V285-R287 PolarHBondContact O-N 3.2Å; R287-E289 PolarHBondContact O-N 3.21Å; R287-E289 VanDerWaalsContact O-N 3.12Å; R287-I290 PolarHBondContact O-N 2.98Å; R287-D291 IonicContact CZ-OD1 3.88Å; R287-D291 IonicContact CZ-OD2 2.79Å; R287-D291 IonicContact NE-OD1 3.35Å; R287-D291 PolarHBondContact NE-OD1 3.48Å; R287-D291 IonicContact NE-OD2 3.63Å; R287-D291 IonicContact NH2-OD1 2.68Å; R287-D291 PolarHBondContact NH2-OD1 3.27Å; R287-D291 IonicContact NH2-OD2 2.87Å; R287-D291 PolarHBondContact NH2-OD2 2.91Å; R287-D291 PolarHBondContact O-N 2.99Å; R287-D291 VanDerWaalsContact O-N 3.12Å; R287-L292 HydrophobicContact CB-CB 4.34Å; R287-L292 WeakPolarHBondContact O-CB 3.11Å; R287-L292 PolarHBondContact O-N 3.11Å; R287-L292 VanDerWaalsContact O-N 3.13Å; R287-I295 HydrophobicContact CB-CD1 3.69Å; R287-I295 HydrophobicContact CG-CD1 3.72Å
288C98.1Very high98.1Very high0 Ų030.8 Ų30.80%014%0.137CC..THydrogen-bonded Turntrans-56.5-29.6-174.562.80000114.6P18 T19 L20 I284 V285 L292 L326P18-C288 CarbonylContact C-O 3.54Å; P18-C288 WeakPolarHBondContact CA-O 3.46Å; P18-C288 WeakPolarHBondContact CB-O 3.3Å; T19-C288 PolarHBondContact N-O 3.19Å; T19-C288 PolarHBondContact OG1-O 3.22Å; L20-C288 HydrophobicContact CB-CB 4.26Å; L20-C288 PolarHBondContact N-O 2.87Å; L20-C288 VanDerWaalsContact N-O 3.1Å; I284-C288 WeakPolarHBondContact O-CB 3.32Å; I284-C288 PolarHBondContact O-N 2.86Å; I284-C288 PolarHBondContact O-SG 3.43Å; V285-C288 PolarHBondContact O-SG 3.09Å; V285-C288 VanDerWaalsContact O-SG 3.34Å; C288-L292 HydrophobicContact CB-CD2 3.78Å; C288-L326 HydrophobicContact CB-CB 4.4Å
289E96.9Very high98.1Very high52 Ų5224.1 Ų24.124%0.24311%0.112CC..THydrogen-bonded Turntrans-99.97.5178.2-65.2179-13700113.2L20 S57 A58 R61 R287L20-E289 HydrophobicContact CB-CG 4.02Å; L20-E289 HydrophobicContact CD2-CG 4.08Å; L20-E289 HydrophobicContact CG-CG 4.18Å; S57-E289 WeakPolarHBondContact CB-OE2 3.47Å; A58-E289 PolarHBondContact N-OE1 3.02Å; A58-E289 PolarHBondContact N-OE2 3.16Å; R61-E289 IonicContact CZ-OE1 3.65Å; R61-E289 IonicContact NH1-OE1 3.29Å; R61-E289 PolarHBondContact NH1-OE1 3.49Å; R61-E289 IonicContact NH2-OE1 3.71Å; R61-E289 PolarHBondContact NH2-OE1 3.02Å; R287-E289 PolarHBondContact O-N 3.21Å; R287-E289 VanDerWaalsContact O-N 3.12Å
290I96.7Very high98.1Very high58 Ų5829.4 Ų29.430%0.29713%0.132SC..THydrogen-bonded Turntrans-121.2-70.2-174.2-53-179.5000111.6V16 H17 S286 R287V16-I290 CarbonylContact C-O 3.57Å; V16-I290 WeakPolarHBondContact CA-O 3.36Å; V16-I290 VanDerWaalsContact CG1-O 3.24Å; V16-I290 WeakPolarHBondContact CG1-O 3.42Å; H17-I290 CarbonylContact C-O 3.52Å; H17-I290 PolarHBondContact N-O 2.85Å; S286-I290 VanDerWaalsContact O-CD1 3.31Å; S286-I290 WeakPolarHBondContact O-CD1 3.42Å; R287-I290 PolarHBondContact O-N 2.98Å
291D97.1Very high98.1Very high16 Ų1635 Ų359%0.08616%0.162CC..THydrogen-bonded Turntrans-148.115.9-169.965.8-11.9000113.3H17 R287 H293 L294 I295H17-D291 CarbonylContact O-C 3.49Å; H17-D291 VanDerWaalsContact O-C 3.26Å; H17-D291 VanDerWaalsContact O-CA 3.26Å; H17-D291 WeakPolarHBondContact O-CA 3.16Å; R287-D291 IonicContact CZ-OD1 3.88Å; R287-D291 IonicContact CZ-OD2 2.79Å; R287-D291 IonicContact NE-OD1 3.35Å; R287-D291 PolarHBondContact NE-OD1 3.48Å; R287-D291 IonicContact NE-OD2 3.63Å; R287-D291 IonicContact NH2-OD1 2.68Å; R287-D291 PolarHBondContact NH2-OD1 3.27Å; R287-D291 IonicContact NH2-OD2 2.87Å; R287-D291 PolarHBondContact NH2-OD2 2.91Å; R287-D291 PolarHBondContact O-N 2.99Å; R287-D291 VanDerWaalsContact O-N 3.12Å; D291-H293 PolarHBondContact O-N 3.24Å; D291-H293 VanDerWaalsContact O-N 3.11Å; D291-L294 PolarHBondContact O-N 3.24Å; D291-I295 PolarHBondContact O-N 3.34Å; D291-I295 VanDerWaalsContact OD1-CD1 3.26Å; D291-I295 WeakPolarHBondContact OD1-CD1 3.34Å
292L98.2Very high98.1Very high0 Ų037.4 Ų37.40%017%0.174CC..Hα-helixtrans-57.1-29.1-179-172.855.7000112.6H17 T19 I284 R287 C288 I295 K296 L307 V327H17-L292 PolarHBondContact O-N 3.37Å; T19-L292 HydrophobicContact CG2-CB 4.11Å; T19-L292 HydrophobicContact CG2-CG 4.15Å; T19-L292 WeakPolarHBondContact OG1-CD2 3.19Å; I284-L292 HydrophobicContact CD1-CD1 3.94Å; I284-L292 HydrophobicContact CD1-CD2 4.03Å; I284-L292 HydrophobicContact CG2-CD2 4.24Å; R287-L292 HydrophobicContact CB-CB 4.34Å; R287-L292 WeakPolarHBondContact O-CB 3.11Å; R287-L292 PolarHBondContact O-N 3.11Å; R287-L292 VanDerWaalsContact O-N 3.13Å; C288-L292 HydrophobicContact CB-CD2 3.78Å; L292-I295 HydrophobicContact CD1-CB 4.13Å; L292-I295 HydrophobicContact CD1-CD1 4.44Å; L292-I295 HydrophobicContact CD1-CG2 4.13Å; L292-I295 PolarHBondContact O-N 3Å; L292-K296 WeakPolarHBondContact O-CG 3.17Å; L292-K296 PolarHBondContact O-N 3.13Å; L292-L307 HydrophobicContact CD1-CD2 4.01Å; L292-V327 HydrophobicContact CD2-CG2 4.14Å
293H97.5Very high98Very high86 Ų8638.3 Ų38.340%0.39818%0.183SC..Hα-helixtrans-65.7-38.2174.7-17880.4000112.5H17 T19 D291 R297H17-H293 HydrophobicContact CB-CB 4.07Å; H17-H293 WeakPolarHBondContact O-CB 3.32Å; H17-H293 PolarHBondContact O-N 3.26Å; T19-H293 HydrophobicContact CG2-CB 4.09Å; D291-H293 PolarHBondContact O-N 3.24Å; D291-H293 VanDerWaalsContact O-N 3.11Å; H293-R297 PolarHBondContact O-N 3.34Å
294L97.2Very high97.9Very high33 Ų3341.2 Ų41.217%0.17321%0.213CC..Hα-helixtrans-70.2-41.4172.4-67.2178.8000111.3H17 A259 D291 K296 R297 E298H17-L294 HydrophobicContact CB-CD1 4.22Å; H17-L294 HydrophobicContact CB-CD2 4.43Å; H17-L294 HydrophobicContact CB-CG 3.72Å; H17-L294 VanDerWaalsContact CD2-CD1 3.43Å; H17-L294 WeakPolarHBondContact CD2-CD1 3.43Å; A259-L294 HydrophobicContact CB-CB 3.93Å; D291-L294 PolarHBondContact O-N 3.24Å; L294-K296 VanDerWaalsContact C-N 3.26Å; L294-K296 PolarHBondContact O-N 3.11Å; L294-R297 WeakPolarHBondContact O-CB 3.47Å; L294-R297 PolarHBondContact O-N 2.97Å; L294-R297 VanDerWaalsContact O-N 3.1Å; L294-E298 WeakPolarHBondContact O-CG 3.35Å; L294-E298 PolarHBondContact O-N 3.48Å; L294-E298 VanDerWaalsContact O-N 3.08Å
295I98.5Very high97.9Very high0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-57.4-41.8176.5-67.2166.6000110.5A259 F262 A263 L266 R287 D291 L292 R297 E298 F299A259-I295 HydrophobicContact CB-CG1 4.05Å; F262-I295 HydrophobicContact CB-CD1 3.6Å; F262-I295 HydrophobicContact CB-CG1 3.95Å; F262-I295 HydrophobicContact CB-CG2 4.19Å; F262-I295 HydrophobicContact CD2-CD1 4.07Å; F262-I295 HydrophobicContact CG-CD1 4.07Å; A263-I295 HydrophobicContact CB-CG2 4.23Å; L266-I295 HydrophobicContact CD1-CG2 3.56Å; R287-I295 HydrophobicContact CB-CD1 3.69Å; R287-I295 HydrophobicContact CG-CD1 3.72Å; D291-I295 PolarHBondContact O-N 3.34Å; D291-I295 VanDerWaalsContact OD1-CD1 3.26Å; D291-I295 WeakPolarHBondContact OD1-CD1 3.34Å; L292-I295 HydrophobicContact CD1-CB 4.13Å; L292-I295 HydrophobicContact CD1-CD1 4.44Å; L292-I295 HydrophobicContact CD1-CG2 4.13Å; L292-I295 PolarHBondContact O-N 3Å; I295-R297 VanDerWaalsContact C-N 3.33Å; I295-R297 PolarHBondContact O-N 2.9Å; I295-E298 PolarHBondContact O-N 3.01Å; I295-F299 WeakPolarHBondContact O-CB 3.46Å; I295-F299 PolarHBondContact O-N 3Å
296K98.2Very high97.9Very high26 Ų2645.3 Ų45.311%0.11324%0.237CC..Hα-helixtrans-58.8-41.4175.8-74.7168.967.2174.60112.8T19 L292 L294 F299 Y300 L307 E308 V327T19-K296 HydrophobicContact CG2-CD 3.82Å; L292-K296 WeakPolarHBondContact O-CG 3.17Å; L292-K296 PolarHBondContact O-N 3.13Å; L294-K296 VanDerWaalsContact C-N 3.26Å; L294-K296 PolarHBondContact O-N 3.11Å; K296-F299 PolarHBondContact O-N 3.21Å; K296-Y300 PolarHBondContact O-N 3.38Å; K296-L307 HydrophobicContact CG-CB 4.18Å; K296-L307 HydrophobicContact CG-CD2 3.8Å; K296-E308 WeakPolarHBondContact CE-OE1 3.37Å; K296-E308 WeakPolarHBondContact CE-OE2 3.49Å; K296-E308 IonicContact NZ-OE1 2.73Å; K296-E308 PolarHBondContact NZ-OE1 3.45Å; K296-E308 IonicContact NZ-OE2 3.47Å; K296-V327 HydrophobicContact CD-CG1 3.96Å; K296-V327 WeakPolarHBondContact CD-O 3.34Å; K296-V327 HydrophobicContact CG-CG1 4.4Å; K296-V327 PolarHBondContact NZ-O 2.92Å
297R97.8Very high97.9Very high135 Ų13544.3 Ų44.351%0.50923%0.23SC..Hα-helixtrans-63.3-51.7176.7-173.8-171.569.4-162.3-0.9111H293 L294 I295 F299 Y300 D301H293-R297 PolarHBondContact O-N 3.34Å; L294-R297 WeakPolarHBondContact O-CB 3.47Å; L294-R297 PolarHBondContact O-N 2.97Å; L294-R297 VanDerWaalsContact O-N 3.1Å; I295-R297 VanDerWaalsContact C-N 3.33Å; I295-R297 PolarHBondContact O-N 2.9Å; R297-F299 PolarHBondContact O-N 3.39Å; R297-Y300 PolarHBondContact O-N 2.92Å; R297-D301 PolarHBondContact O-N 3.41Å; R297-D301 VanDerWaalsContact O-N 3.15Å
298E98.5Very high97.9Very high25 Ų2545.4 Ų45.412%0.11724%0.235CC..Hα-helixtrans-63.4-32.8178.3-55.6-65.6142.400111.8N257 A259 L260 A263 L294 I295 L302N257-E298 PolarHBondContact ND2-OE2 2.8Å; A259-E298 HydrophobicContact CB-CG 3.72Å; L260-E298 HydrophobicContact CB-CB 4.25Å; L260-E298 HydrophobicContact CB-CG 4.33Å; L260-E298 HydrophobicContact CD1-CB 4.27Å; A263-E298 HydrophobicContact CB-CB 3.97Å; L294-E298 WeakPolarHBondContact O-CG 3.35Å; L294-E298 PolarHBondContact O-N 3.48Å; L294-E298 VanDerWaalsContact O-N 3.08Å; I295-E298 PolarHBondContact O-N 3.01Å; E298-L302 WeakPolarHBondContact O-CB 3.32Å; E298-L302 PolarHBondContact O-N 3.44Å
299F98.6Very high97.9Very high0 Ų047.5 Ų47.50%025%0.25CC..Hα-helixtrans-64.8-46.2174.4-173.8-80.2000111.5A263 L266 K267 M270 I295 K296 R297 D301 L302 A303 L307 W310A263-F299 HydrophobicContact CB-CB 3.9Å; A263-F299 HydrophobicContact CB-CD2 4.45Å; A263-F299 WeakPolarHBondContact O-CD2 3.46Å; L266-F299 HydrophobicContact CB-CD2 3.87Å; L266-F299 HydrophobicContact CB-CE2 3.76Å; K267-F299 HydrophobicContact CB-CD2 4.49Å; K267-F299 HydrophobicContact CB-CE2 3.91Å; M270-F299 HydrophobicContact CE-CE2 3.72Å; M270-F299 HydrophobicContact CE-CZ 3.64Å; I295-F299 WeakPolarHBondContact O-CB 3.46Å; I295-F299 PolarHBondContact O-N 3Å; K296-F299 PolarHBondContact O-N 3.21Å; R297-F299 PolarHBondContact O-N 3.39Å; F299-D301 VanDerWaalsContact C-N 3.33Å; F299-D301 PolarHBondContact O-N 2.88Å; F299-L302 PolarHBondContact O-N 3.19Å; F299-A303 HydrophobicContact CD1-CB 3.89Å; F299-A303 HydrophobicContact CE1-CB 3.58Å; F299-A303 HydrophobicContact CZ-CB 4.01Å; F299-A303 WeakPolarHBondContact O-CB 3.3Å; F299-A303 PolarHBondContact O-N 3.24Å; F299-L307 HydrophobicContact CD1-CB 3.93Å; F299-L307 HydrophobicContact CD1-CD1 4.46Å; F299-L307 HydrophobicContact CD2-CD1 4.08Å; F299-L307 HydrophobicContact CE1-CB 4.26Å; F299-L307 HydrophobicContact CE1-CD1 4.3Å; F299-L307 HydrophobicContact CE2-CD1 3.88Å; F299-L307 HydrophobicContact CG-CB 4.21Å; F299-L307 HydrophobicContact CG-CD1 4.37Å; F299-L307 HydrophobicContact CZ-CD1 4Å; F299-W310 HydrophobicContact CE1-CB 4.21Å; F299-W310 AromaticContact CE1-CD1 3.75Å; F299-W310 HydrophobicContact CE1-CD2 4.12Å; F299-W310 AromaticContact CE1-CG 3.76Å; F299-W310 HydrophobicContact CE1-CG 3.76Å; F299-W310 HydrophobicContact CZ-CB 4.02Å; F299-W310 AromaticContact CZ-CD2 3.77Å; F299-W310 HydrophobicContact CZ-CD2 3.77Å; F299-W310 HydrophobicContact CZ-CE3 4.16Å; F299-W310 AromaticContact CZ-CG 3.7Å; F299-W310 HydrophobicContact CZ-CG 3.7Å
300Y98.4Very high97.9Very high128 Ų12847.4 Ų47.450%0.50225%0.247SC..Hα-helixtrans-57.5-47.7176.6-176.4-89.9000111.3K296 R297 L302 G304 D305K296-Y300 PolarHBondContact O-N 3.38Å; R297-Y300 PolarHBondContact O-N 2.92Å; Y300-L302 VanDerWaalsContact C-N 3.32Å; Y300-L302 PolarHBondContact O-N 3.01Å; Y300-G304 WeakPolarHBondContact O-CA 3.33Å; Y300-G304 PolarHBondContact O-N 3.2Å; Y300-D305 WeakPolarHBondContact CA-O 3.43Å
301D98.3Very high98Very high116 Ų11644.7 Ų44.762%0.6223%0.233SC*.Hα-helixtrans-63.3-37.3178.6-65.8-24000112.1R297 F299R297-D301 PolarHBondContact O-N 3.41Å; R297-D301 VanDerWaalsContact O-N 3.15Å; F299-D301 VanDerWaalsContact C-N 3.33Å; F299-D301 PolarHBondContact O-N 2.88Å
302L97.9Very high98.1Very high59 Ų5947.9 Ų47.931%0.30925%0.248SC..Hα-helixtrans-79-38.2-179.1-178.866.3000113.6L260 D264 K267 E298 F299 Y300L260-L302 HydrophobicContact CD1-CB 4.43Å; L260-L302 HydrophobicContact CD1-CD2 4.3Å; D264-L302 VanDerWaalsContact CA-CD2 3.5Å; D264-L302 HydrophobicContact CB-CD2 3.83Å; K267-L302 HydrophobicContact CB-CD2 4.45Å; K267-L302 HydrophobicContact CD-CD2 3.97Å; K267-L302 HydrophobicContact CD-CG 3.88Å; K267-L302 PolarHBondContact NZ-O 3.21Å; E298-L302 WeakPolarHBondContact O-CB 3.32Å; E298-L302 PolarHBondContact O-N 3.44Å; F299-L302 PolarHBondContact O-N 3.19Å; Y300-L302 VanDerWaalsContact C-N 3.32Å; Y300-L302 PolarHBondContact O-N 3.01Å
303A97.3Very high98Very high22 Ų2251.1 Ų51.118%0.18228%0.281CS..Hα-helixtrans-97.9-22.1-170.600000113.1K267 F299 D305 W310K267-A303 HydrophobicContact CD-CB 4.2Å; F299-A303 HydrophobicContact CD1-CB 3.89Å; F299-A303 HydrophobicContact CE1-CB 3.58Å; F299-A303 HydrophobicContact CZ-CB 4.01Å; F299-A303 WeakPolarHBondContact O-CB 3.3Å; F299-A303 PolarHBondContact O-N 3.24Å; A303-D305 VanDerWaalsContact C-N 3.28Å; A303-W310 HydrophobicContact CB-CZ2 3.83Å
304G97.1Very high97.9Very high61 Ų6149.4 Ų49.463%0.62928%0.275SS*.SBendtrans79.96.1-175.500000114.3Y300Y300-G304 WeakPolarHBondContact O-CA 3.33Å; Y300-G304 PolarHBondContact O-N 3.2Å
305D97.9Very high98Very high64 Ų6448.4 Ų48.434%0.34227%0.27SS..SBendtrans-155.2164.8175.2-164.23.2000110.1Y300 A303 S309Y300-D305 WeakPolarHBondContact CA-O 3.43Å; A303-D305 VanDerWaalsContact C-N 3.28Å; D305-S309 WeakPolarHBondContact OD2-CB 3.42Å; D305-S309 PolarHBondContact OD2-OG 3.31Å
306S98.1Very high97.9Very high36 Ų3652.5 Ų52.525%0.25230%0.299SS..  trans-66.7150.9-177.163.40000113.2E308 S309 W310S306-E308 PolarHBondContact O-N 3.16Å; S306-S309 PolarHBondContact O-N 3.17Å; S306-S309 VanDerWaalsContact OG-CB 3.25Å; S306-S309 WeakPolarHBondContact OG-CB 3.39Å; S306-S309 PolarHBondContact OG-N 2.98Å; S306-S309 VanDerWaalsContact OG-N 3.14Å; S306-W310 VanDerWaalsContact O-CD1 3.28Å; S306-W310 PolarHBondContact O-N 3.31Å
307L98.6Very high97.9Very high0 Ų053.1 Ų53.10%031%0.313CS..Hα-helixtrans-59.7-36.7173.1178.656.4000111.2L266 M270 I284 L292 K296 F299 W310 I311 V327L266-L307 HydrophobicContact CB-CD1 4.39Å; L266-L307 HydrophobicContact CD1-CD1 4.08Å; L266-L307 HydrophobicContact CD1-CD2 3.83Å; M270-L307 HydrophobicContact CE-CD1 3.62Å; I284-L307 HydrophobicContact CD1-CD2 3.95Å; L292-L307 HydrophobicContact CD1-CD2 4.01Å; K296-L307 HydrophobicContact CG-CB 4.18Å; K296-L307 HydrophobicContact CG-CD2 3.8Å; F299-L307 HydrophobicContact CD1-CB 3.93Å; F299-L307 HydrophobicContact CD1-CD1 4.46Å; F299-L307 HydrophobicContact CD2-CD1 4.08Å; F299-L307 HydrophobicContact CE1-CB 4.26Å; F299-L307 HydrophobicContact CE1-CD1 4.3Å; F299-L307 HydrophobicContact CE2-CD1 3.88Å; F299-L307 HydrophobicContact CG-CB 4.21Å; F299-L307 HydrophobicContact CG-CD1 4.37Å; F299-L307 HydrophobicContact CZ-CD1 4Å; L307-W310 PolarHBondContact O-N 2.91Å; L307-I311 HydrophobicContact CD1-CD1 4Å; L307-I311 HydrophobicContact CD1-CG1 4.23Å; L307-I311 HydrophobicContact CG-CD1 3.9Å; L307-I311 WeakPolarHBondContact O-CB 3.37Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.33Å; L307-I311 PolarHBondContact O-N 3.28Å; L307-V327 HydrophobicContact CB-CG1 4.47Å; L307-V327 HydrophobicContact CD2-CG1 4.01Å; L307-V327 HydrophobicContact CD2-CG2 4.41Å; L307-V327 HydrophobicContact CG-CG1 4.1Å
308E98.4Very high97.9Very high37 Ų3749.6 Ų49.617%0.17330%0.304CS..Hα-helixtrans-60-47.4174.9-67.691.2148.800112.6K296 S306 W310 I311 E312 L324 V327 R328K296-E308 WeakPolarHBondContact CE-OE1 3.37Å; K296-E308 WeakPolarHBondContact CE-OE2 3.49Å; K296-E308 IonicContact NZ-OE1 2.73Å; K296-E308 PolarHBondContact NZ-OE1 3.45Å; K296-E308 IonicContact NZ-OE2 3.47Å; S306-E308 PolarHBondContact O-N 3.16Å; E308-W310 VanDerWaalsContact C-N 3.35Å; E308-W310 PolarHBondContact O-N 3.39Å; E308-I311 PolarHBondContact O-N 3.23Å; E308-E312 WeakPolarHBondContact O-CB 3.49Å; E308-E312 WeakPolarHBondContact O-CG 3.18Å; E308-E312 PolarHBondContact O-N 3Å; E308-L324 HydrophobicContact CB-CD2 4.04Å; E308-L324 HydrophobicContact CG-CD2 4.19Å; E308-V327 HydrophobicContact CG-CG1 3.82Å; E308-R328 HydrophobicContact CG-CG 4.11Å
309S98.1Very high98Very high43 Ų4349.1 Ų49.130%0.30130%0.301SS..Hα-helixtrans-61.1-43.2178.7178.40000111.7D305 S306 E312 G313D305-S309 WeakPolarHBondContact OD2-CB 3.42Å; D305-S309 PolarHBondContact OD2-OG 3.31Å; S306-S309 PolarHBondContact O-N 3.17Å; S306-S309 VanDerWaalsContact OG-CB 3.25Å; S306-S309 WeakPolarHBondContact OG-CB 3.39Å; S306-S309 PolarHBondContact OG-N 2.98Å; S306-S309 VanDerWaalsContact OG-N 3.14Å; S309-E312 PolarHBondContact O-N 3.29Å; S309-G313 PolarHBondContact O-N 3.27Å
310W98.3Very high97.9Very high51 Ų5153.4 Ų53.419%0.19332%0.317CS..Hα-helixtrans-63.3-46.1175.4-78.660.3000111.5K267 M270 K271 F299 A303 S306 L307 E308 E312 G313 D314K267-W310 HydrophobicContact CG-CH2 4.11Å; K267-W310 HydrophobicContact CG-CZ3 4.23Å; M270-W310 HydrophobicContact CB-CE3 3.86Å; M270-W310 HydrophobicContact CB-CZ3 4.39Å; M270-W310 HydrophobicContact CE-CB 3.92Å; M270-W310 HydrophobicContact CE-CE3 4.42Å; M270-W310 HydrophobicContact SD-CB 3.95Å; K271-W310 HydrophobicContact CB-CZ3 4.16Å; F299-W310 HydrophobicContact CE1-CB 4.21Å; F299-W310 AromaticContact CE1-CD1 3.75Å; F299-W310 HydrophobicContact CE1-CD2 4.12Å; F299-W310 AromaticContact CE1-CG 3.76Å; F299-W310 HydrophobicContact CE1-CG 3.76Å; F299-W310 HydrophobicContact CZ-CB 4.02Å; F299-W310 AromaticContact CZ-CD2 3.77Å; F299-W310 HydrophobicContact CZ-CD2 3.77Å; F299-W310 HydrophobicContact CZ-CE3 4.16Å; F299-W310 AromaticContact CZ-CG 3.7Å; F299-W310 HydrophobicContact CZ-CG 3.7Å; A303-W310 HydrophobicContact CB-CZ2 3.83Å; S306-W310 VanDerWaalsContact O-CD1 3.28Å; S306-W310 PolarHBondContact O-N 3.31Å; L307-W310 PolarHBondContact O-N 2.91Å; E308-W310 VanDerWaalsContact C-N 3.35Å; E308-W310 PolarHBondContact O-N 3.39Å; W310-E312 VanDerWaalsContact C-N 3.3Å; W310-E312 PolarHBondContact O-N 3.3Å; W310-G313 PolarHBondContact O-N 3.33Å; W310-D314 WeakPolarHBondContact O-CB 3.42Å; W310-D314 PolarHBondContact O-N 3.46Å
311I98.5Very high97.9Very high0 Ų049.4 Ų49.40%031%0.308CS..Hα-helixtrans-60.4-40.7175.5-70.6170.1000111.1M270 L280 I284 L307 E308 G313 T315 R320 L323 L324 V327M270-I311 HydrophobicContact SD-CG1 3.94Å; L280-I311 HydrophobicContact CD1-CG1 4.34Å; I284-I311 HydrophobicContact CD1-CD1 4.49Å; L307-I311 HydrophobicContact CD1-CD1 4Å; L307-I311 HydrophobicContact CD1-CG1 4.23Å; L307-I311 HydrophobicContact CG-CD1 3.9Å; L307-I311 WeakPolarHBondContact O-CB 3.37Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.33Å; L307-I311 PolarHBondContact O-N 3.28Å; E308-I311 PolarHBondContact O-N 3.23Å; I311-G313 VanDerWaalsContact C-N 3.3Å; I311-G313 PolarHBondContact O-N 3.1Å; I311-T315 WeakPolarHBondContact O-CB 3.38Å; I311-T315 PolarHBondContact O-N 3.49Å; I311-T315 PolarHBondContact O-OG1 3.29Å; I311-R320 HydrophobicContact CG2-CG 4.43Å; I311-L323 HydrophobicContact CG2-CB 3.9Å; I311-L323 HydrophobicContact CG2-CD1 4.04Å; I311-L324 HydrophobicContact CB-CD2 4.2Å; I311-L324 HydrophobicContact CG2-CD2 3.88Å; I311-L324 HydrophobicContact CG2-CG 4.04Å; I311-V327 HydrophobicContact CD1-CB 4.42Å; I311-V327 HydrophobicContact CD1-CG1 4.46Å; I311-V327 HydrophobicContact CD1-CG2 3.59Å
312E97.8Very high98Very high84 Ų8443.9 Ų43.939%0.39328%0.278SS..Hα-helixtrans-63.8-34.5178.1-78.7173.2-170.400113.1E308 S309 W310 L324 R328E308-E312 WeakPolarHBondContact O-CB 3.49Å; E308-E312 WeakPolarHBondContact O-CG 3.18Å; E308-E312 PolarHBondContact O-N 3Å; S309-E312 PolarHBondContact O-N 3.29Å; W310-E312 VanDerWaalsContact C-N 3.3Å; W310-E312 PolarHBondContact O-N 3.3Å; E312-L324 HydrophobicContact CG-CD1 3.63Å; E312-L324 HydrophobicContact CG-CD2 4.07Å; E312-L324 HydrophobicContact CG-CG 4.44Å; E312-R328 IonicContact OE1-CZ 2.63Å; E312-R328 IonicContact OE1-NH2 3.9Å; E312-R328 PolarHBondContact OE1-NH2 2.68Å
313G96.7Very high98Very high68 Ų6841 Ų4170%0.70126%0.264SS*.Hα-helixtrans-80.9-35.5178.100000114.6S309 W310 I311S309-G313 PolarHBondContact O-N 3.27Å; W310-G313 PolarHBondContact O-N 3.33Å; I311-G313 VanDerWaalsContact C-N 3.3Å; I311-G313 PolarHBondContact O-N 3.1Å
314D96.8Very high98.1Very high50 Ų5040.5 Ų40.527%0.26726%0.257SS..Hα-helixtrans-98.5-11.1-172.1-80.3-69.6000114.5M270 T275 W310M270-D314 HydrophobicContact CB-CB 4.26Å; M270-D314 HydrophobicContact CG-CB 4.22Å; T275-D314 PolarHBondContact OG1-O 2.94Å; W310-D314 WeakPolarHBondContact O-CB 3.42Å; W310-D314 PolarHBondContact O-N 3.46Å
315T97.6Very high98.1Very high11 Ų1138.1 Ų38.17%0.06723%0.232CC..  trans-128.8165.2179.873.40000111.7L280 I311 Y319 R320 L323L280-T315 HydrophobicContact CD2-CG2 3.75Å; I311-T315 WeakPolarHBondContact O-CB 3.38Å; I311-T315 PolarHBondContact O-N 3.49Å; I311-T315 PolarHBondContact O-OG1 3.29Å; T315-Y319 HydrophobicContact CG2-CD1 4.22Å; T315-Y319 HydrophobicContact CG2-CE1 3.58Å; T315-R320 WeakPolarHBondContact O-CD 3.29Å; T315-R320 WeakPolarHBondContact OG1-CA 3.44Å; T315-R320 WeakPolarHBondContact OG1-CB 3.49Å; T315-R320 WeakPolarHBondContact OG1-CG 3.33Å; T315-L323 HydrophobicContact CG2-CD1 4.03Å
316S97.6Very high98.1Very high87 Ų8735 Ų3561%0.60822%0.215SC*.  trans-145.4170.4-178.865.60000113.1R320S316-R320 PolarHBondContact O-N 2.95Å
317G98.1Very high98.1Very high39 Ų3933.3 Ų33.340%0.40220%0.203SC..Hα-helixtrans61.3-151.9176.300000114.3Y319 R320 S321G317-Y319 VanDerWaalsContact C-N 3.27Å; G317-Y319 PolarHBondContact O-N 3.24Å; G317-R320 WeakPolarHBondContact O-CB 3.3Å; G317-R320 PolarHBondContact O-N 3.49Å; G317-S321 PolarHBondContact O-N 3.43Å; G317-S321 PolarHBondContact O-OG 2.8Å
318D98.4Very high98Very high60 Ų6038.9 Ų38.932%0.32122%0.224SC..Hα-helixtrans-68.9-27.4-177.7-55.2-56.9000112.9E46 I50 F88 S321 L322E46-D318 HydrophobicContact CB-CB 3.97Å; E46-D318 VanDerWaalsContact CB-CG 3.46Å; E46-D318 HydrophobicContact CG-CB 4.23Å; I50-D318 HydrophobicContact CD1-CB 4.19Å; F88-D318 HydrophobicContact CD1-CB 3.99Å; F88-D318 VanDerWaalsContact CD2-C 3.48Å; F88-D318 HydrophobicContact CD2-CB 3.76Å; F88-D318 WeakPolarHBondContact CD2-O 3.28Å; F88-D318 HydrophobicContact CE1-CB 3.96Å; F88-D318 HydrophobicContact CE2-CB 3.72Å; F88-D318 HydrophobicContact CG-CB 3.89Å; F88-D318 HydrophobicContact CZ-CB 3.82Å; D318-S321 PolarHBondContact O-N 2.79Å; D318-L322 WeakPolarHBondContact O-CB 3.48Å; D318-L322 PolarHBondContact O-N 3.36Å
319Y98.6Very high97.1Very high16 Ų1639.5 Ų39.56%0.06323%0.231CC..Hα-helixtrans-57.6-50.6170.6170.5-129.4000111.5H87 T91 D277 I281 T315 G317 S321 L322 L323H87-Y319 HydrophobicContact CB-CD1 3.77Å; H87-Y319 HydrophobicContact CB-CD2 3.77Å; H87-Y319 HydrophobicContact CB-CE1 3.86Å; H87-Y319 HydrophobicContact CB-CE2 3.86Å; H87-Y319 HydrophobicContact CB-CG 3.71Å; H87-Y319 WeakPolarHBondContact O-CD2 3.45Å; T91-Y319 WeakPolarHBondContact OG1-CD2 3.12Å; T91-Y319 WeakPolarHBondContact OG1-CE2 3.49Å; D277-Y319 HydrophobicContact CB-CE1 4.41Å; D277-Y319 PolarHBondContact O-OH 3.01Å; D277-Y319 WeakPolarHBondContact OD1-CE1 3.45Å; D277-Y319 PolarHBondContact OD1-OH 2.84Å; I281-Y319 HydrophobicContact CD1-CE2 3.71Å; I281-Y319 HydrophobicContact CG1-CE2 3.59Å; I281-Y319 WeakPolarHBondContact CG1-OH 3.43Å; T315-Y319 HydrophobicContact CG2-CD1 4.22Å; T315-Y319 HydrophobicContact CG2-CE1 3.58Å; G317-Y319 VanDerWaalsContact C-N 3.27Å; G317-Y319 PolarHBondContact O-N 3.24Å; Y319-S321 PolarHBondContact O-N 2.74Å; Y319-L322 PolarHBondContact O-N 3.01Å; Y319-L323 HydrophobicContact CD2-CD1 4.19Å; Y319-L323 HydrophobicContact CD2-CG 4.09Å; Y319-L323 HydrophobicContact CE1-CD1 4.04Å; Y319-L323 HydrophobicContact CE2-CD1 3.51Å; Y319-L323 HydrophobicContact CE2-CD2 3.98Å; Y319-L323 HydrophobicContact CE2-CG 3.65Å; Y319-L323 VanDerWaalsContact CZ-CD1 3.43Å; Y319-L323 WeakPolarHBondContact O-CG 3.44Å; Y319-L323 PolarHBondContact O-N 3.03Å
320R98.5Very high95.5Very high90 Ų9039.6 Ų39.634%0.3423%0.228SC..Hα-helixtrans-58-49.1173.7177-177.357.1-174.71.5111.4I311 T315 S316 G317 L322 L323 L324I311-R320 HydrophobicContact CG2-CG 4.43Å; T315-R320 WeakPolarHBondContact O-CD 3.29Å; T315-R320 WeakPolarHBondContact OG1-CA 3.44Å; T315-R320 WeakPolarHBondContact OG1-CB 3.49Å; T315-R320 WeakPolarHBondContact OG1-CG 3.33Å; S316-R320 PolarHBondContact O-N 2.95Å; G317-R320 WeakPolarHBondContact O-CB 3.3Å; G317-R320 PolarHBondContact O-N 3.49Å; R320-L322 VanDerWaalsContact C-N 3.28Å; R320-L322 PolarHBondContact O-N 3.42Å; R320-L323 PolarHBondContact O-N 3.38Å; R320-L324 HydrophobicContact CG-CD1 3.78Å; R320-L324 HydrophobicContact CG-CG 4.32Å; R320-L324 VanDerWaalsContact O-CG 3.31Å; R320-L324 WeakPolarHBondContact O-CG 3.3Å; R320-L324 PolarHBondContact O-N 3.43Å
321S98.5Very high92.9Very high43 Ų4348 Ų4830%0.30128%0.276SS..Hα-helixtrans-58.6-41.3-178-61.30000111.8G317 D318 Y319 L324 A325G317-S321 PolarHBondContact O-N 3.43Å; G317-S321 PolarHBondContact O-OG 2.8Å; D318-S321 PolarHBondContact O-N 2.79Å; Y319-S321 PolarHBondContact O-N 2.74Å; S321-L324 PolarHBondContact O-N 3.39Å; S321-A325 PolarHBondContact O-N 2.85Å
322L98.7Very high92.7Very high0 Ų050.5 Ų50.50%029%0.289CS..Hα-helixtrans-67.1-46176.2-176.458.3000112.5I50 F88 T91 M92 L95 D318 Y319 R320 L324 A325 L326I50-L322 HydrophobicContact CG1-CB 4.11Å; I50-L322 HydrophobicContact CG1-CD1 4.2Å; I50-L322 HydrophobicContact CG2-CD1 4.28Å; F88-L322 HydrophobicContact CD2-CB 4.27Å; F88-L322 HydrophobicContact CD2-CD2 4.02Å; F88-L322 HydrophobicContact CE2-CB 4.04Å; F88-L322 HydrophobicContact CE2-CD2 3.88Å; T91-L322 HydrophobicContact CG2-CD2 3.43Å; T91-L322 VanDerWaalsContact CG2-CD2 3.43Å; T91-L322 HydrophobicContact CG2-CG 3.94Å; M92-L322 HydrophobicContact CE-CD1 4.23Å; M92-L322 HydrophobicContact CE-CD2 3.91Å; M92-L322 HydrophobicContact CG-CD2 3.98Å; M92-L322 HydrophobicContact SD-CD2 3.89Å; L95-L322 HydrophobicContact CD1-CD1 3.9Å; L95-L322 HydrophobicContact CD1-CD2 4.05Å; L95-L322 HydrophobicContact CD1-CG 4.27Å; D318-L322 WeakPolarHBondContact O-CB 3.48Å; D318-L322 PolarHBondContact O-N 3.36Å; Y319-L322 PolarHBondContact O-N 3.01Å; R320-L322 VanDerWaalsContact C-N 3.28Å; R320-L322 PolarHBondContact O-N 3.42Å; L322-L324 VanDerWaalsContact C-N 3.27Å; L322-L324 PolarHBondContact O-N 2.95Å; L322-A325 WeakPolarHBondContact O-CB 3.5Å; L322-A325 PolarHBondContact O-N 3.45Å; L322-A325 VanDerWaalsContact O-N 3.15Å; L322-L326 WeakPolarHBondContact O-CG 3.49Å; L322-L326 PolarHBondContact O-N 3.18Å; L322-L326 VanDerWaalsContact O-N 3.1Å
323L98.7Very high92.4Very high0 Ų048.7 Ų48.70%028%0.284CS..Hα-helixtrans-58.3-43175.8-72.4-178.9000111.5T91 L280 I284 I311 T315 Y319 R320 A325 L326 V327T91-L323 HydrophobicContact CG2-CD2 4.45Å; L280-L323 HydrophobicContact CD2-CD1 3.71Å; L280-L323 HydrophobicContact CG-CD1 4.03Å; I284-L323 HydrophobicContact CB-CD2 4.22Å; I284-L323 HydrophobicContact CG1-CD2 4.32Å; I284-L323 HydrophobicContact CG2-CD2 4.15Å; I311-L323 HydrophobicContact CG2-CB 3.9Å; I311-L323 HydrophobicContact CG2-CD1 4.04Å; T315-L323 HydrophobicContact CG2-CD1 4.03Å; Y319-L323 HydrophobicContact CD2-CD1 4.19Å; Y319-L323 HydrophobicContact CD2-CG 4.09Å; Y319-L323 HydrophobicContact CE1-CD1 4.04Å; Y319-L323 HydrophobicContact CE2-CD1 3.51Å; Y319-L323 HydrophobicContact CE2-CD2 3.98Å; Y319-L323 HydrophobicContact CE2-CG 3.65Å; Y319-L323 VanDerWaalsContact CZ-CD1 3.43Å; Y319-L323 WeakPolarHBondContact O-CG 3.44Å; Y319-L323 PolarHBondContact O-N 3.03Å; R320-L323 PolarHBondContact O-N 3.38Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 2.92Å; L323-L326 PolarHBondContact O-N 3.44Å; L323-L326 VanDerWaalsContact O-N 3.17Å; L323-V327 WeakPolarHBondContact O-CB 3.47Å; L323-V327 WeakPolarHBondContact O-CG2 3.45Å; L323-V327 PolarHBondContact O-N 3.01Å
324L98.6Very high92.2Very high10 Ų1047.6 Ų47.65%0.05226%0.261CS..Hα-helixtrans-65.4-35.6177.3-68.1172000112.2E308 I311 E312 R320 S321 L322 L326 V327 R328E308-L324 HydrophobicContact CB-CD2 4.04Å; E308-L324 HydrophobicContact CG-CD2 4.19Å; I311-L324 HydrophobicContact CB-CD2 4.2Å; I311-L324 HydrophobicContact CG2-CD2 3.88Å; I311-L324 HydrophobicContact CG2-CG 4.04Å; E312-L324 HydrophobicContact CG-CD1 3.63Å; E312-L324 HydrophobicContact CG-CD2 4.07Å; E312-L324 HydrophobicContact CG-CG 4.44Å; R320-L324 HydrophobicContact CG-CD1 3.78Å; R320-L324 HydrophobicContact CG-CG 4.32Å; R320-L324 VanDerWaalsContact O-CG 3.31Å; R320-L324 WeakPolarHBondContact O-CG 3.3Å; R320-L324 PolarHBondContact O-N 3.43Å; S321-L324 PolarHBondContact O-N 3.39Å; L322-L324 VanDerWaalsContact C-N 3.27Å; L322-L324 PolarHBondContact O-N 2.95Å; L324-L326 VanDerWaalsContact C-N 3.28Å; L324-L326 PolarHBondContact O-N 2.88Å; L324-V327 PolarHBondContact O-N 2.89Å; L324-R328 VanDerWaalsContact O-CB 3.23Å; L324-R328 WeakPolarHBondContact O-CB 3.49Å; L324-R328 VanDerWaalsContact O-CG 3.24Å; L324-R328 WeakPolarHBondContact O-CG 3.43Å; L324-R328 PolarHBondContact O-N 2.86Å
325A98Very high91.9Very high11 Ų1147.5 Ų47.59%0.09126%0.26CS..Hα-helixtrans-63.3-33.4173.300000112.6I50 S321 L322 L323 N330I50-A325 HydrophobicContact CG2-CB 3.9Å; S321-A325 PolarHBondContact O-N 2.85Å; L322-A325 WeakPolarHBondContact O-CB 3.5Å; L322-A325 PolarHBondContact O-N 3.45Å; L322-A325 VanDerWaalsContact O-N 3.15Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 2.92Å; A325-N330 PolarHBondContact O-ND2 3.47Å
326L98.5Very high91.5Very high0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-78.3-32176-61.5173.7000112.9T19 L20 T91 L95 I284 V285 C288 L322 L323 L324T19-L326 WeakPolarHBondContact CB-O 3.27Å; T19-L326 PolarHBondContact OG1-O 2.66Å; L20-L326 HydrophobicContact CD2-CD2 3.77Å; T91-L326 HydrophobicContact CG2-CD1 4.32Å; L95-L326 HydrophobicContact CD1-CD1 4.31Å; L95-L326 HydrophobicContact CD1-CD2 4.34Å; L95-L326 HydrophobicContact CD2-CD1 4.07Å; L95-L326 HydrophobicContact CD2-CD2 3.8Å; I284-L326 HydrophobicContact CG2-CB 3.71Å; I284-L326 HydrophobicContact CG2-CD1 3.9Å; I284-L326 HydrophobicContact CG2-CG 4.48Å; V285-L326 HydrophobicContact CG2-CD1 4.16Å; C288-L326 HydrophobicContact CB-CB 4.4Å; L322-L326 WeakPolarHBondContact O-CG 3.49Å; L322-L326 PolarHBondContact O-N 3.18Å; L322-L326 VanDerWaalsContact O-N 3.1Å; L323-L326 PolarHBondContact O-N 3.44Å; L323-L326 VanDerWaalsContact O-N 3.17Å; L324-L326 VanDerWaalsContact C-N 3.28Å; L324-L326 PolarHBondContact O-N 2.88Å
327V98.4Very high91.1Very high0 Ų047.3 Ų47.30%025%0.25CS..Hα-helixtrans-88-38.1-174.4172.50000112.3T19 I284 L292 K296 L307 E308 I311 L323 L324T19-V327 WeakPolarHBondContact CB-O 3.17Å; T19-V327 VanDerWaalsContact CG2-O 3.26Å; T19-V327 WeakPolarHBondContact CG2-O 3.36Å; I284-V327 HydrophobicContact CD1-CG2 3.65Å; I284-V327 HydrophobicContact CG1-CG2 4.2Å; I284-V327 HydrophobicContact CG2-CG2 3.95Å; L292-V327 HydrophobicContact CD2-CG2 4.14Å; K296-V327 HydrophobicContact CD-CG1 3.96Å; K296-V327 WeakPolarHBondContact CD-O 3.34Å; K296-V327 HydrophobicContact CG-CG1 4.4Å; K296-V327 PolarHBondContact NZ-O 2.92Å; L307-V327 HydrophobicContact CB-CG1 4.47Å; L307-V327 HydrophobicContact CD2-CG1 4.01Å; L307-V327 HydrophobicContact CD2-CG2 4.41Å; L307-V327 HydrophobicContact CG-CG1 4.1Å; E308-V327 HydrophobicContact CG-CG1 3.82Å; I311-V327 HydrophobicContact CD1-CB 4.42Å; I311-V327 HydrophobicContact CD1-CG1 4.46Å; I311-V327 HydrophobicContact CD1-CG2 3.59Å; L323-V327 WeakPolarHBondContact O-CB 3.47Å; L323-V327 WeakPolarHBondContact O-CG2 3.45Å; L323-V327 PolarHBondContact O-N 3.01Å; L324-V327 PolarHBondContact O-N 2.89Å
328R95.9Very high90.6Very high117 Ų11747.9 Ų47.944%0.44224%0.239SC..SBendtrans-67.8136.1177-70.4172.8178.8172.1-0.3108.3E308 E312 L324 N330E308-R328 HydrophobicContact CG-CG 4.11Å; E312-R328 IonicContact OE1-CZ 2.63Å; E312-R328 IonicContact OE1-NH2 3.9Å; E312-R328 PolarHBondContact OE1-NH2 2.68Å; L324-R328 VanDerWaalsContact O-CB 3.23Å; L324-R328 WeakPolarHBondContact O-CB 3.49Å; L324-R328 VanDerWaalsContact O-CG 3.24Å; L324-R328 WeakPolarHBondContact O-CG 3.43Å; L324-R328 PolarHBondContact O-N 2.86Å; R328-N330 PolarHBondContact O-N 3.03Å; R328-N330 VanDerWaalsContact O-N 3.15Å
329T78.5Confident90Very high49 Ų4946.9 Ų46.930%0.30123%0.233SC..  trans-69.7113.8176.6-56.60000107.9F21 L331F21-T329 HydrophobicContact CE2-CG2 4.02Å; T329-L331 HydrophobicContact CG2-CD2 4.17Å; T329-L331 HydrophobicContact CG2-CG 4.04Å; T329-L331 PolarHBondContact O-N 2.97Å
330N64.4Low89.3Confident46 Ų4649.5 Ų49.525%0.24625%0.247CC..  trans-7899171.8-63.8-31.6000107.7T19 F21 H55 A325 R328T19-N330 PolarHBondContact O-N 3.26Å; F21-N330 WeakPolarHBondContact CD2-O 3.49Å; H55-N330 PolarHBondContact CD2-ND2 2.94Å; A325-N330 PolarHBondContact O-ND2 3.47Å; R328-N330 PolarHBondContact O-N 3.03Å; R328-N330 VanDerWaalsContact O-N 3.15Å
331L45.3Very low88.5Confident228 Ų22845.8 Ų45.8100%1.19424%0.239SC*.  trans-89.20173-75.2175.6000111.4T329T329-L331 HydrophobicContact CG2-CD2 4.17Å; T329-L331 HydrophobicContact CG2-CG 4.04Å; T329-L331 PolarHBondContact O-N 2.97Å

Retrieved 331 of 331 residues in 68.5 ms (Link to these results)

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