A0A3Q0KE29_SCHMA Loading...

rhomboid protease

AlphaFold DB , UniProt , Accession A0A3Q0KE29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 329 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
1M36.6Very low47.4Very low122 Ų12299.5 Ų99.560%0.60145%0.453SS*.  0-47.80-163.1168.871.100113.5Y3 S4 C5 A281M1-Y3 PolarHBondContact O-N 3.37Å; M1-S4 PolarHBondContact O-N 3.33Å; M1-C5 PolarHBondContact O-N 3Å; M1-C5 VanDerWaalsContact O-N 3.1Å; M1-C5 PolarHBondContact O-SG 3.24Å; M1-A281 HydrophobicContact CE-CB 4.21Å
2I32.3Very low48.8Very low119 Ų11992.2 Ų92.261%0.6142%0.42SS*.Hα-helixtrans-57.2-47.6179.3-63.3171.6000112.1S4 C5 I6I2-S4 VanDerWaalsContact C-N 3.33Å; I2-S4 PolarHBondContact O-N 3.34Å; I2-C5 WeakPolarHBondContact O-CB 3.41Å; I2-C5 PolarHBondContact O-N 3.12Å; I2-C5 VanDerWaalsContact O-N 3.11Å; I2-I6 HydrophobicContact CG2-CD1 3.78Å; I2-I6 HydrophobicContact CG2-CG1 4.36Å; I2-I6 WeakPolarHBondContact O-CG1 3.36Å; I2-I6 PolarHBondContact O-N 3.24Å
3Y34.5Very low50Low201 Ų20194.2 Ų94.279%0.78842%0.423SS*.Hα-helixtrans-57.5-40.1177.2-83.4-83000113.7M1 I6 R7M1-Y3 PolarHBondContact O-N 3.37Å; Y3-I6 PolarHBondContact O-N 2.94Å; Y3-R7 WeakPolarHBondContact O-CB 3.21Å; Y3-R7 PolarHBondContact O-N 3.37Å
4S39.5Very low50.9Low50 Ų5092.8 Ų92.835%0.3543%0.427SS..Hα-helixtrans-68.2-39176-500000111.8M1 I2 I6 R7 F8M1-S4 PolarHBondContact O-N 3.33Å; I2-S4 VanDerWaalsContact C-N 3.33Å; I2-S4 PolarHBondContact O-N 3.34Å; S4-I6 VanDerWaalsContact C-N 3.31Å; S4-I6 PolarHBondContact O-N 3.42Å; S4-R7 PolarHBondContact O-N 2.97Å; S4-F8 VanDerWaalsContact O-CB 3.23Å; S4-F8 WeakPolarHBondContact O-CB 3.41Å; S4-F8 PolarHBondContact O-N 3.26Å
5C35.7Very low51.5Low31 Ų3190.1 Ų90.121%0.20942%0.416CS..Hα-helixtrans-60.6-41.5172-67.60000111.6M1 I2 S9 K164M1-C5 PolarHBondContact O-N 3Å; M1-C5 VanDerWaalsContact O-N 3.1Å; M1-C5 PolarHBondContact O-SG 3.24Å; I2-C5 WeakPolarHBondContact O-CB 3.41Å; I2-C5 PolarHBondContact O-N 3.12Å; I2-C5 VanDerWaalsContact O-N 3.11Å; C5-S9 WeakPolarHBondContact O-CB 3.19Å; C5-S9 PolarHBondContact O-N 3.22Å; C5-K164 PolarHBondContact SG-NZ 2.99Å
6I47.1Very low51.9Low73 Ų7385.8 Ų85.837%0.37440%0.397SS..Hα-helixtrans-65.4-49.4178-67.3168.7000110.3I2 Y3 S4 F8 S9 Q10I2-I6 HydrophobicContact CG2-CD1 3.78Å; I2-I6 HydrophobicContact CG2-CG1 4.36Å; I2-I6 WeakPolarHBondContact O-CG1 3.36Å; I2-I6 PolarHBondContact O-N 3.24Å; Y3-I6 PolarHBondContact O-N 2.94Å; S4-I6 VanDerWaalsContact C-N 3.31Å; S4-I6 PolarHBondContact O-N 3.42Å; I6-F8 VanDerWaalsContact C-N 3.31Å; I6-F8 PolarHBondContact O-N 3.37Å; I6-S9 WeakPolarHBondContact O-CB 3.37Å; I6-S9 PolarHBondContact O-N 3.35Å; I6-Q10 HydrophobicContact CG2-CG 4.35Å; I6-Q10 WeakPolarHBondContact O-CB 3.35Å; I6-Q10 VanDerWaalsContact O-CG 3.31Å; I6-Q10 WeakPolarHBondContact O-CG 3.43Å; I6-Q10 PolarHBondContact O-N 3.47Å
7R52.5Low52.2Low198 Ų19891.6 Ų91.675%0.74742%0.415SS*.Hα-helixtrans-62.9-39.1-179.1-158.4-176.8-78.6-177-4.6111.4Y3 S4 Q10 R11Y3-R7 WeakPolarHBondContact O-CB 3.21Å; Y3-R7 PolarHBondContact O-N 3.37Å; S4-R7 PolarHBondContact O-N 2.97Å; R7-Q10 PolarHBondContact O-N 2.88Å; R7-R11 PolarHBondContact O-N 2.85Å
8F56Low52.4Low38 Ų3893.1 Ų93.117%0.16743%0.427CS..Hα-helixtrans-66.5-45.8173.9-170.4-104.6000112.5S4 I6 Q10 R11 I12 L140 C144 P219 L221S4-F8 VanDerWaalsContact O-CB 3.23Å; S4-F8 WeakPolarHBondContact O-CB 3.41Å; S4-F8 PolarHBondContact O-N 3.26Å; I6-F8 VanDerWaalsContact C-N 3.31Å; I6-F8 PolarHBondContact O-N 3.37Å; F8-Q10 VanDerWaalsContact C-N 3.29Å; F8-Q10 PolarHBondContact O-N 3.11Å; F8-R11 WeakPolarHBondContact O-CB 3.39Å; F8-R11 PolarHBondContact O-N 3.09Å; F8-R11 VanDerWaalsContact O-N 3.13Å; F8-I12 HydrophobicContact CD1-CD1 3.74Å; F8-I12 HydrophobicContact CE1-CD1 3.18Å; F8-I12 HydrophobicContact CE1-CG1 4.43Å; F8-I12 HydrophobicContact CE2-CD1 4.14Å; F8-I12 HydrophobicContact CG-CD1 4.42Å; F8-I12 HydrophobicContact CZ-CD1 3.42Å; F8-I12 VanDerWaalsContact CZ-CD1 3.42Å; F8-I12 PolarHBondContact O-N 3.31Å; F8-I12 VanDerWaalsContact O-N 3.12Å; F8-L140 HydrophobicContact CE2-CD1 3.62Å; F8-L140 HydrophobicContact CZ-CD1 3.78Å; F8-C144 VanDerWaalsContact CZ-SG 3.52Å; F8-P219 HydrophobicContact CE1-CG 4.1Å; F8-L221 HydrophobicContact CE1-CD2 3.46Å; F8-L221 VanDerWaalsContact CE1-CD2 3.46Å; F8-L221 HydrophobicContact CE2-CD2 4.02Å; F8-L221 HydrophobicContact CZ-CD2 3.14Å
9S57Low52.3Low14 Ų1493.3 Ų93.310%0.09843%0.427CS..Hα-helixtrans-58.7-39.3173.3169.20000112.2C5 I6 I12 R13C5-S9 WeakPolarHBondContact O-CB 3.19Å; C5-S9 PolarHBondContact O-N 3.22Å; I6-S9 WeakPolarHBondContact O-CB 3.37Å; I6-S9 PolarHBondContact O-N 3.35Å; S9-I12 PolarHBondContact O-N 2.9Å; S9-R13 WeakPolarHBondContact O-CB 3.46Å; S9-R13 WeakPolarHBondContact O-CG 3.37Å; S9-R13 PolarHBondContact O-N 2.79Å; S9-R13 PolarHBondContact OG-NE 3.23Å; S9-R13 PolarHBondContact OG-NH2 3.44Å
10Q63.6Low52Low113 Ų11394.2 Ų94.253%0.52843%0.43SS..Hα-helixtrans-66.3-38.3175.5-76.3174.2-16.900111.6I6 R7 F8 I12 P14I6-Q10 HydrophobicContact CG2-CG 4.35Å; I6-Q10 WeakPolarHBondContact O-CB 3.35Å; I6-Q10 VanDerWaalsContact O-CG 3.31Å; I6-Q10 WeakPolarHBondContact O-CG 3.43Å; I6-Q10 PolarHBondContact O-N 3.47Å; R7-Q10 PolarHBondContact O-N 2.88Å; F8-Q10 VanDerWaalsContact C-N 3.29Å; F8-Q10 PolarHBondContact O-N 3.11Å; Q10-I12 VanDerWaalsContact C-N 3.31Å; Q10-I12 PolarHBondContact O-N 3.11Å; Q10-P14 WeakPolarHBondContact O-CD 3.49Å
11R66.5Low51.7Low135 Ų13593.7 Ų93.751%0.50944%0.437SS..Hα-helixtrans-66.1-32.5177.5-143.6174.6-167.8179.32.2112.9R7 F8R7-R11 PolarHBondContact O-N 2.85Å; F8-R11 WeakPolarHBondContact O-CB 3.39Å; F8-R11 PolarHBondContact O-N 3.09Å; F8-R11 VanDerWaalsContact O-N 3.13Å
12I64.4Low52.1Low12 Ų1292.9 Ų92.96%0.06244%0.443CS..Hα-helixtrans-88.9-26.9-178-67.2176.4000112.8F8 S9 Q10 I15 L16 L140 C144 P219F8-I12 HydrophobicContact CD1-CD1 3.74Å; F8-I12 HydrophobicContact CE1-CD1 3.18Å; F8-I12 HydrophobicContact CE1-CG1 4.43Å; F8-I12 HydrophobicContact CE2-CD1 4.14Å; F8-I12 HydrophobicContact CG-CD1 4.42Å; F8-I12 HydrophobicContact CZ-CD1 3.42Å; F8-I12 VanDerWaalsContact CZ-CD1 3.42Å; F8-I12 PolarHBondContact O-N 3.31Å; F8-I12 VanDerWaalsContact O-N 3.12Å; S9-I12 PolarHBondContact O-N 2.9Å; Q10-I12 VanDerWaalsContact C-N 3.31Å; Q10-I12 PolarHBondContact O-N 3.11Å; I12-I15 WeakPolarHBondContact O-CB 3.38Å; I12-I15 PolarHBondContact O-N 3.26Å; I12-I15 VanDerWaalsContact O-N 3.15Å; I12-L16 HydrophobicContact CG2-CD1 3.57Å; I12-L16 HydrophobicContact CG2-CD2 4.36Å; I12-L16 HydrophobicContact CG2-CG 3.63Å; I12-L16 PolarHBondContact O-N 3.25Å; I12-L140 HydrophobicContact CD1-CD1 4.23Å; I12-L140 HydrophobicContact CD1-CD2 4.22Å; I12-L140 HydrophobicContact CD1-CG 4.26Å; I12-L140 HydrophobicContact CG1-CD1 4.41Å; I12-L140 HydrophobicContact CG1-CD2 3.54Å; I12-L140 HydrophobicContact CG1-CG 4.09Å; I12-C144 HydrophobicContact CD1-CB 4.47Å; I12-P219 HydrophobicContact CD1-CB 4.34Å; I12-P219 HydrophobicContact CD1-CG 3.52Å; I12-P219 HydrophobicContact CG2-CG 4.33Å
13R65Low52.7Low119 Ų11990.7 Ų90.745%0.44944%0.443SS..Hα-helixtrans-54.2-44.6-176.9-100.6-176.1-98.9-156.8-6115S9 I15 L16 R17S9-R13 WeakPolarHBondContact O-CB 3.46Å; S9-R13 WeakPolarHBondContact O-CG 3.37Å; S9-R13 PolarHBondContact O-N 2.79Å; S9-R13 PolarHBondContact OG-NE 3.23Å; S9-R13 PolarHBondContact OG-NH2 3.44Å; R13-I15 VanDerWaalsContact C-N 3.35Å; R13-L16 PolarHBondContact O-N 3.08Å; R13-R17 WeakPolarHBondContact O-CB 3.47Å; R13-R17 PolarHBondContact O-N 3.3Å
14P61.7Low52.9Low74 Ų7487.1 Ų87.148%0.48143%0.431SS..Hα-helixtrans-61.4-43.8177-22.231.6000112Q10 L16 R17 N18Q10-P14 WeakPolarHBondContact O-CD 3.49Å; P14-L16 VanDerWaalsContact C-N 3.34Å; P14-L16 PolarHBondContact O-N 3.44Å; P14-R17 PolarHBondContact O-N 3.37Å; P14-N18 PolarHBondContact O-N 3.44Å; P14-N18 VanDerWaalsContact O-N 3.15Å
15I60.6Low52.4Low53 Ų5388.1 Ų88.127%0.27245%0.45SS..Hα-helixtrans-59.3-47.9178.1-60171.2000109.4I12 R13 R17 F19 L140I12-I15 WeakPolarHBondContact O-CB 3.38Å; I12-I15 PolarHBondContact O-N 3.26Å; I12-I15 VanDerWaalsContact O-N 3.15Å; R13-I15 VanDerWaalsContact C-N 3.35Å; I15-R17 PolarHBondContact O-N 3.41Å; I15-F19 HydrophobicContact CG2-CD2 4.28Å; I15-F19 HydrophobicContact CG2-CE2 3.81Å; I15-F19 WeakPolarHBondContact O-CD2 3.28Å; I15-L140 HydrophobicContact CD1-CD2 3.98Å
16L58.2Low52.2Low21 Ų2196.7 Ų96.711%0.1148%0.484CS..Hα-helixtrans-68.7-32.4178.7-65.7179.2000114I12 R13 P14 F19 K20 Y148I12-L16 HydrophobicContact CG2-CD1 3.57Å; I12-L16 HydrophobicContact CG2-CD2 4.36Å; I12-L16 HydrophobicContact CG2-CG 3.63Å; I12-L16 PolarHBondContact O-N 3.25Å; R13-L16 PolarHBondContact O-N 3.08Å; P14-L16 VanDerWaalsContact C-N 3.34Å; P14-L16 PolarHBondContact O-N 3.44Å; L16-F19 PolarHBondContact O-N 3.04Å; L16-K20 PolarHBondContact O-N 3.25Å; L16-Y148 WeakPolarHBondContact CD2-O 3.33Å
17R56.2Low51.5Low185 Ų18599 Ų9970%0.69850%0.501SS*.Hα-helixtrans-66-43.4177.8-87-174.6-180178.2-0.2111.7R13 P14 I15 F19 K20 S21R13-R17 WeakPolarHBondContact O-CB 3.47Å; R13-R17 PolarHBondContact O-N 3.3Å; P14-R17 PolarHBondContact O-N 3.37Å; I15-R17 PolarHBondContact O-N 3.41Å; R17-F19 PolarHBondContact O-N 3.39Å; R17-K20 PolarHBondContact O-N 3.41Å; R17-K20 VanDerWaalsContact O-N 3.13Å; R17-S21 PolarHBondContact O-N 3.21Å
18N55.7Low50.6Low117 Ų11796.9 Ų96.963%0.62650%0.504SS*.Hα-helixtrans-60.2-30.3176.9-72.1-7.9000112.1P14 S21P14-N18 PolarHBondContact O-N 3.44Å; P14-N18 VanDerWaalsContact O-N 3.15Å; N18-S21 PolarHBondContact O-OG 3.12Å; N18-S21 VanDerWaalsContact O-OG 3.07Å
19F50.6Low49.7Very low97 Ų97104.3 Ų104.343%0.42553%0.533SS..Hα-helixtrans-79.6-35.2174.8-69.9-63.1000113.6I15 L16 R17 S21 S22 A23 P150I15-F19 HydrophobicContact CG2-CD2 4.28Å; I15-F19 HydrophobicContact CG2-CE2 3.81Å; I15-F19 WeakPolarHBondContact O-CD2 3.28Å; L16-F19 PolarHBondContact O-N 3.04Å; R17-F19 PolarHBondContact O-N 3.39Å; F19-S21 PolarHBondContact O-N 3.14Å; F19-S22 PolarHBondContact O-N 2.94Å; F19-A23 PolarHBondContact O-N 3.4Å; F19-P150 HydrophobicContact CE1-CB 4.49Å; F19-P150 HydrophobicContact CE2-CB 4.29Å; F19-P150 HydrophobicContact CE2-CG 4.39Å; F19-P150 HydrophobicContact CZ-CB 3.92Å; F19-P150 HydrophobicContact CZ-CG 4.41Å
20K46.9Very low48.9Very low112 Ų112107.9 Ų107.949%0.48756%0.558SS.*Hα-helixtrans-62.7-39.4175.5-91.1-169.5174.9-173.10112.6L16 R17 S22 A23 F24L16-K20 PolarHBondContact O-N 3.25Å; R17-K20 PolarHBondContact O-N 3.41Å; R17-K20 VanDerWaalsContact O-N 3.13Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 3.41Å; K20-A23 PolarHBondContact O-N 3.43Å; K20-F24 PolarHBondContact O-N 2.84Å
21S45.7Very low48.2Very low84 Ų84114.2 Ų114.259%0.58758%0.577SS**Hα-helixtrans-68.3-30178.654.30000112.9R17 N18 F19 A23R17-S21 PolarHBondContact O-N 3.21Å; N18-S21 PolarHBondContact O-OG 3.12Å; N18-S21 VanDerWaalsContact O-OG 3.07Å; F19-S21 PolarHBondContact O-N 3.14Å; S21-A23 VanDerWaalsContact C-N 3.32Å
22S45.1Very low47.2Very low105 Ų105116.8 Ų116.873%0.73459%0.594SS**Hα-helixtrans-70.4-27.3174.7175.60000113F19 K20F19-S22 PolarHBondContact O-N 2.94Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 3.41Å
23A44Very low46.5Very low72 Ų72119.6 Ų119.660%0.59561%0.61SS**Hα-helixtrans-90.5-19.8-175.700000114F19 K20 S21F19-A23 PolarHBondContact O-N 3.4Å; K20-A23 PolarHBondContact O-N 3.43Å; S21-A23 VanDerWaalsContact C-N 3.32Å
24F38.9Very low45.8Very low126 Ų126117.7 Ų117.755%0.55361%0.614SS**SBendtrans-128.489.7-174.7-68.8-83.1000110.6K20 V45K20-F24 PolarHBondContact O-N 2.84Å; F24-V45 HydrophobicContact CE1-CG2 4.21Å; F24-V45 HydrophobicContact CZ-CG2 4.06Å
25G30.2Very low45.3Very low72 Ų72121.6 Ų121.674%0.74263%0.627SS**  trans-60.7136.8172.800000112V27G25-V27 PolarHBondContact O-N 2.83Å
26K30.8Very low44.8Very low211 Ų211124.4 Ų124.492%0.91764%0.641SS**  trans-73.2119.4177-75.6179.7175.2178.80110
27V31.2Very low44.3Very low122 Ų122131.1 Ų131.174%0.73967%0.665SS**  trans-132.8121.7167.3-176.80000109.1G25G25-V27 PolarHBondContact O-N 2.83Å
28N34.5Very low44.1Very low152 Ų152126.4 Ų126.481%0.81366%0.657SS**  trans-72.7137.9171.9-73.1-27.6000109.2
29Y36Very low43.8Very low195 Ų195130 Ų13077%0.76566%0.662SS**  trans178.8162.2154.4-104.6-72.3000114.6
30S41.8Very low43.9Very low89 Ų89129.5 Ų129.562%0.62267%0.667SS**  trans-70.4172.1-164-49.40000118.7E32S30-E32 PolarHBondContact O-N 2.96Å
31R47.4Very low44.3Very low246 Ų246127 Ų12793%0.92866%0.664SS**G310 helixtrans-60.4-21.6-157.7-93.7179.2172.3173-3.1118.9N33R31-N33 PolarHBondContact O-N 3.09Å
32E46Very low44.7Very low188 Ų188125.8 Ų125.888%0.87965%0.652SS**G310 helixtrans-72.8-13.2-176.5-137.2169.5-173.400113.2S30 S34S30-E32 PolarHBondContact O-N 2.96Å; E32-S34 VanDerWaalsContact C-N 3.35Å; E32-S34 PolarHBondContact O-N 2.76Å
33N50.1Low45.2Very low72 Ų72124.6 Ų124.639%0.38564%0.638SS.*G310 helixtrans-82.713.3-176.2-77.8-48.4000115.7R31 R37R31-N33 PolarHBondContact O-N 3.09Å; N33-R37 WeakPolarHBondContact O-CA 3.45Å; N33-R37 WeakPolarHBondContact O-CB 3.45Å; N33-R37 VanDerWaalsContact O-CG 3.27Å; N33-R37 WeakPolarHBondContact O-CG 3.39Å; N33-R37 PolarHBondContact O-N 3.16Å
34S50.3Low45.7Very low78 Ų78123.6 Ų123.655%0.54563%0.629SS.*Hα-helixtrans-70.9-46.9-173.169.60000113.4E32 R37 T38E32-S34 VanDerWaalsContact C-N 3.35Å; E32-S34 PolarHBondContact O-N 2.76Å; S34-R37 WeakPolarHBondContact O-CB 3.44Å; S34-R37 PolarHBondContact O-N 3.07Å; S34-T38 PolarHBondContact O-N 3.26Å
35Q50.5Low46.5Very low157 Ų157119.7 Ų119.773%0.73462%0.616SS**Hα-helixtrans-72-42.6177.4-70.6-164.6-5.800111.6R37 T38 R39Q35-R37 VanDerWaalsContact C-N 3.29Å; Q35-R37 PolarHBondContact O-N 3.38Å; Q35-T38 PolarHBondContact O-N 2.97Å; Q35-T38 VanDerWaalsContact O-N 3.1Å; Q35-T38 PolarHBondContact O-OG1 3.5Å; Q35-R39 PolarHBondContact O-N 2.82Å; Q35-R39 VanDerWaalsContact O-N 3.17Å
36L50.6Low48Very low111 Ų111121.5 Ų121.558%0.58161%0.608SS**Hα-helixtrans-58.6-39169.9-88.5146.4000111.3T38 R39 V40L36-T38 PolarHBondContact O-N 3.47Å; L36-R39 PolarHBondContact O-N 2.9Å; L36-V40 WeakPolarHBondContact O-CB 3.15Å; L36-V40 WeakPolarHBondContact O-CG2 3.35Å; L36-V40 PolarHBondContact O-N 3.5Å
37R47.3Very low49.9Very low162 Ų162118.4 Ų118.461%0.61160%0.595SS**Hα-helixtrans-62.3-40.4171.7-96.4-176.7170.5-163.6-0.1112.6N33 S34 Q35 S41N33-R37 WeakPolarHBondContact O-CA 3.45Å; N33-R37 WeakPolarHBondContact O-CB 3.45Å; N33-R37 VanDerWaalsContact O-CG 3.27Å; N33-R37 WeakPolarHBondContact O-CG 3.39Å; N33-R37 PolarHBondContact O-N 3.16Å; S34-R37 WeakPolarHBondContact O-CB 3.44Å; S34-R37 PolarHBondContact O-N 3.07Å; Q35-R37 VanDerWaalsContact C-N 3.29Å; Q35-R37 PolarHBondContact O-N 3.38Å; R37-S41 WeakPolarHBondContact O-CA 3.33Å; R37-S41 WeakPolarHBondContact O-CB 3.38Å; R37-S41 PolarHBondContact O-N 3.27Å; R37-S41 PolarHBondContact O-OG 2.84Å
38T51.9Low52Low87 Ų87116.4 Ų116.453%0.53458%0.584SS.*Hα-helixtrans-62.2-4917953.30000110.5S34 Q35 L36 S41 T42S34-T38 PolarHBondContact O-N 3.26Å; Q35-T38 PolarHBondContact O-N 2.97Å; Q35-T38 VanDerWaalsContact O-N 3.1Å; Q35-T38 PolarHBondContact O-OG1 3.5Å; L36-T38 PolarHBondContact O-N 3.47Å; T38-S41 PolarHBondContact O-OG 3.48Å; T38-T42 WeakPolarHBondContact O-CB 3.35Å; T38-T42 WeakPolarHBondContact O-CG2 3.45Å; T38-T42 PolarHBondContact O-N 2.9Å; T38-T42 PolarHBondContact O-OG1 3.38Å
39R49.2Very low54.5Low192 Ų192110 Ų11073%0.72555%0.554SS**Hα-helixtrans-65.3-48.8176.4-74.6-172.1-174.3-178.62.8112.9Q35 L36 S41 T42 D43Q35-R39 PolarHBondContact O-N 2.82Å; Q35-R39 VanDerWaalsContact O-N 3.17Å; L36-R39 PolarHBondContact O-N 2.9Å; R39-S41 VanDerWaalsContact C-N 3.34Å; R39-S41 PolarHBondContact O-N 3.19Å; R39-T42 WeakPolarHBondContact CA-OG1 3.31Å; R39-T42 PolarHBondContact O-N 2.88Å; R39-T42 PolarHBondContact O-OG1 3.48Å; R39-D43 VanDerWaalsContact O-CB 3.31Å; R39-D43 WeakPolarHBondContact O-CB 3.43Å; R39-D43 PolarHBondContact O-N 2.94Å
40V54.2Low57.1Low87 Ų87105.8 Ų105.853%0.52754%0.544SS..Hα-helixtrans-63.7-39.1179.7173.80000111L36 A44L36-V40 WeakPolarHBondContact O-CB 3.15Å; L36-V40 WeakPolarHBondContact O-CG2 3.35Å; L36-V40 PolarHBondContact O-N 3.5Å; V40-A44 WeakPolarHBondContact O-CA 3.25Å; V40-A44 WeakPolarHBondContact O-CB 3.41Å; V40-A44 PolarHBondContact O-N 3.23Å
41S54.2Low59.5Low60 Ų60109.5 Ų109.542%0.4255%0.549SS..Hα-helixtrans-74.4-34177.581.40000112.8R37 T38 R39 V45R37-S41 WeakPolarHBondContact O-CA 3.33Å; R37-S41 WeakPolarHBondContact O-CB 3.38Å; R37-S41 PolarHBondContact O-N 3.27Å; R37-S41 PolarHBondContact O-OG 2.84Å; T38-S41 PolarHBondContact O-OG 3.48Å; R39-S41 VanDerWaalsContact C-N 3.34Å; R39-S41 PolarHBondContact O-N 3.19Å; S41-V45 WeakPolarHBondContact O-CB 3.21Å; S41-V45 WeakPolarHBondContact O-CG2 3.42Å; S41-V45 PolarHBondContact O-N 3.43Å
42T54.9Low61.7Low57 Ų5799.2 Ų99.235%0.3551%0.512SS..Hα-helixtrans-66.1-46.7171.848.70000110.1T38 R39 V45 L46T38-T42 WeakPolarHBondContact O-CB 3.35Å; T38-T42 WeakPolarHBondContact O-CG2 3.45Å; T38-T42 PolarHBondContact O-N 2.9Å; T38-T42 PolarHBondContact O-OG1 3.38Å; R39-T42 WeakPolarHBondContact CA-OG1 3.31Å; R39-T42 PolarHBondContact O-N 2.88Å; R39-T42 PolarHBondContact O-OG1 3.48Å; T42-V45 PolarHBondContact O-N 2.88Å; T42-L46 VanDerWaalsContact O-CB 3.24Å; T42-L46 WeakPolarHBondContact O-CB 3.25Å; T42-L46 WeakPolarHBondContact O-CD1 3.39Å; T42-L46 PolarHBondContact O-N 2.83Å
43D54.4Low64Low80 Ų8090.9 Ų90.943%0.42848%0.475SS..Hα-helixtrans-67.9-42.7-178.9-69.8-18.8000112.3R39 V45 K47R39-D43 VanDerWaalsContact O-CB 3.31Å; R39-D43 WeakPolarHBondContact O-CB 3.43Å; R39-D43 PolarHBondContact O-N 2.94Å; D43-V45 PolarHBondContact O-N 2.87Å; D43-K47 WeakPolarHBondContact O-CB 3.46Å; D43-K47 WeakPolarHBondContact O-CG 3.31Å; D43-K47 PolarHBondContact O-N 3.41Å
44A54.8Low66.2Low51 Ų5192.5 Ų92.542%0.42148%0.484SS..Hα-helixtrans-67.1-23.5178.700000112.8V40 P48V40-A44 WeakPolarHBondContact O-CA 3.25Å; V40-A44 WeakPolarHBondContact O-CB 3.41Å; V40-A44 PolarHBondContact O-N 3.23Å; A44-P48 WeakPolarHBondContact O-CD 3.16Å; A44-P48 WeakPolarHBondContact O-CG 3.41Å
45V57.1Low68.4Low45 Ų4595.4 Ų95.427%0.27349%0.486SS..Hα-helixtrans-95.6-38.6175.3177.70000111.9F24 S41 T42 D43 G49F24-V45 HydrophobicContact CE1-CG2 4.21Å; F24-V45 HydrophobicContact CZ-CG2 4.06Å; S41-V45 WeakPolarHBondContact O-CB 3.21Å; S41-V45 WeakPolarHBondContact O-CG2 3.42Å; S41-V45 PolarHBondContact O-N 3.43Å; T42-V45 PolarHBondContact O-N 2.88Å; D43-V45 PolarHBondContact O-N 2.87Å; V45-G49 PolarHBondContact O-N 3.09Å
46L60.1Low70.6Confident109 Ų10987.9 Ų87.957%0.57145%0.451SS*.Hα-helixtrans-66.1-44.7179.6-106.688000111.4T42 G49 L50T42-L46 VanDerWaalsContact O-CB 3.24Å; T42-L46 WeakPolarHBondContact O-CB 3.25Å; T42-L46 WeakPolarHBondContact O-CD1 3.39Å; T42-L46 PolarHBondContact O-N 2.83Å; L46-G49 PolarHBondContact O-N 3.43Å; L46-L50 WeakPolarHBondContact O-CB 3.17Å; L46-L50 PolarHBondContact O-N 3.44Å
47K70.6Confident72.8Confident146 Ų14683.1 Ų83.164%0.63543%0.429SS*.Hα-helixtrans-62.1-47.9-174.5-72178.6-178.6-179.50112.4D43 G49 L50 K51D43-K47 WeakPolarHBondContact O-CB 3.46Å; D43-K47 WeakPolarHBondContact O-CG 3.31Å; D43-K47 PolarHBondContact O-N 3.41Å; K47-G49 PolarHBondContact O-N 2.94Å; K47-L50 PolarHBondContact O-N 3.1Å; K47-K51 WeakPolarHBondContact O-CB 3.4Å; K47-K51 PolarHBondContact O-N 2.74Å
48P77.2Confident75.2Confident80 Ų8079.5 Ų79.552%0.51942%0.424SS..Hα-helixtrans-63.6-40.4174.7-23.735.1000112.8A44 K51 L52A44-P48 WeakPolarHBondContact O-CD 3.16Å; A44-P48 WeakPolarHBondContact O-CG 3.41Å; P48-K51 PolarHBondContact O-N 2.81Å; P48-L52 WeakPolarHBondContact O-CB 3.41Å; P48-L52 PolarHBondContact O-N 3.17Å
49G86.2Confident77.4Confident17 Ų1778.1 Ų78.118%0.17541%0.411CS..Hα-helixtrans-62.1-45.4177.800000112.6V45 L46 K47 L52 A53 L212V45-G49 PolarHBondContact O-N 3.09Å; L46-G49 PolarHBondContact O-N 3.43Å; K47-G49 PolarHBondContact O-N 2.94Å; G49-L52 PolarHBondContact O-N 3.27Å; G49-A53 WeakPolarHBondContact O-CB 3.26Å; G49-A53 PolarHBondContact O-N 2.75Å; G49-L212 WeakPolarHBondContact O-CD1 3.08Å
50L90Very high79.7Confident108 Ų10869.2 Ų69.257%0.56538%0.378SS*.Hα-helixtrans-65.4-45.1178.3-17961.9000111.6L46 K47 L52 A53 L54L46-L50 WeakPolarHBondContact O-CB 3.17Å; L46-L50 PolarHBondContact O-N 3.44Å; K47-L50 PolarHBondContact O-N 3.1Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.11Å; L50-A53 PolarHBondContact O-N 2.78Å; L50-L54 HydrophobicContact CD1-CD1 4.4Å; L50-L54 HydrophobicContact CD1-CG 4.36Å; L50-L54 HydrophobicContact CG-CD1 4.21Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 3.12Å
51K92Very high81.8Confident167 Ų16769.3 Ų69.373%0.72638%0.378SS*.Hα-helixtrans-59.4-41.2175.6-174.1176.6-178.2176.90111.4K47 P48 K55K47-K51 WeakPolarHBondContact O-CB 3.4Å; K47-K51 PolarHBondContact O-N 2.74Å; P48-K51 PolarHBondContact O-N 2.81Å; K51-K55 WeakPolarHBondContact O-CB 3.2Å; K51-K55 PolarHBondContact O-N 2.88Å
52L93.2Very high83.9Confident30 Ų3071.6 Ų71.616%0.15739%0.385CS..Hα-helixtrans-66.7-45.9176.4179.560.1000112P48 G49 L50 L54 K55 C56 P147 P152 L212P48-L52 WeakPolarHBondContact O-CB 3.41Å; P48-L52 PolarHBondContact O-N 3.17Å; G49-L52 PolarHBondContact O-N 3.27Å; L50-L52 VanDerWaalsContact C-N 3.28Å; L50-L52 PolarHBondContact O-N 3.11Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-L54 PolarHBondContact O-N 3.44Å; L52-K55 PolarHBondContact O-N 2.88Å; L52-C56 WeakPolarHBondContact O-CB 3.34Å; L52-C56 PolarHBondContact O-N 2.7Å; L52-C56 PolarHBondContact O-SG 3.45Å; L52-P147 HydrophobicContact CD2-CB 3.82Å; L52-P147 VanDerWaalsContact CD2-O 3.27Å; L52-P147 WeakPolarHBondContact CD2-O 3.29Å; L52-P152 HydrophobicContact CD1-CB 3.83Å; L52-P152 HydrophobicContact CD1-CG 3.47Å; L52-P152 VanDerWaalsContact CD1-CG 3.47Å; L52-P152 HydrophobicContact CD2-CB 4.37Å; L52-P152 HydrophobicContact CD2-CG 4.49Å; L52-L212 HydrophobicContact CD2-CD2 4.4Å
53A95.3Very high85.9Confident12 Ų1269.7 Ų69.710%0.09937%0.374CS..Hα-helixtrans-56.4-48176.500000111.1G49 L50 C56 G57 Y205 L209 L212G49-A53 WeakPolarHBondContact O-CB 3.26Å; G49-A53 PolarHBondContact O-N 2.75Å; L50-A53 PolarHBondContact O-N 2.78Å; A53-C56 PolarHBondContact O-N 3.41Å; A53-G57 PolarHBondContact O-N 3.48Å; A53-Y205 WeakPolarHBondContact O-CE2 3.48Å; A53-Y205 PolarHBondContact O-OH 3.37Å; A53-L209 HydrophobicContact CB-CD2 3.67Å; A53-L212 HydrophobicContact CB-CD1 3.97Å
54L96.3Very high87.9Confident107 Ų10766.6 Ų66.656%0.5636%0.358SS*.Hα-helixtrans-61.5-46.3176.8-71171.8000112.1L50 L52 C56 G57 V58L50-L54 HydrophobicContact CD1-CD1 4.4Å; L50-L54 HydrophobicContact CD1-CG 4.36Å; L50-L54 HydrophobicContact CG-CD1 4.21Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 3.12Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-L54 PolarHBondContact O-N 3.44Å; L54-C56 PolarHBondContact O-N 2.88Å; L54-G57 PolarHBondContact O-N 2.87Å; L54-V58 WeakPolarHBondContact O-CG2 3.36Å; L54-V58 PolarHBondContact O-N 3.27Å
55K96Very high89.8Confident138 Ų13869.2 Ų69.260%0.637%0.365SS*.Hα-helixtrans-58.7-47.4177.7-175-178.1-177.3-179.60111.8K51 L52 F59 V153K51-K55 WeakPolarHBondContact O-CB 3.2Å; K51-K55 PolarHBondContact O-N 2.88Å; L52-K55 PolarHBondContact O-N 2.88Å; K55-F59 WeakPolarHBondContact O-CB 3.19Å; K55-F59 PolarHBondContact O-N 3.26Å; K55-F59 VanDerWaalsContact O-N 3.1Å; K55-V153 HydrophobicContact CD-CG2 4.03Å; K55-V153 HydrophobicContact CG-CG2 4.02Å
56C96.4Very high91.7Very high0 Ų069.7 Ų69.70%037%0.373CS..Hα-helixtrans-67.9-34.9177.9-72.20000112.2L52 A53 L54 T60 L156 Y205 L208L52-C56 WeakPolarHBondContact O-CB 3.34Å; L52-C56 PolarHBondContact O-N 2.7Å; L52-C56 PolarHBondContact O-SG 3.45Å; A53-C56 PolarHBondContact O-N 3.41Å; L54-C56 PolarHBondContact O-N 2.88Å; C56-T60 WeakPolarHBondContact O-CB 3.34Å; C56-T60 PolarHBondContact O-N 2.73Å; C56-T60 PolarHBondContact O-OG1 3.48Å; C56-L156 HydrophobicContact CB-CD1 3.95Å; C56-Y205 HydrophobicContact CB-CD2 3.87Å; C56-Y205 HydrophobicContact CB-CE2 4Å; C56-L208 HydrophobicContact CB-CD1 4.29Å; C56-L208 HydrophobicContact CB-CD2 4.26Å
57G97.6Very high93.4Very high10 Ų1065.8 Ų65.810%0.10335%0.354CS..Hα-helixtrans-66.8-47.8176.800000112.2A53 L54 F59 T60 V61 Y205A53-G57 PolarHBondContact O-N 3.48Å; L54-G57 PolarHBondContact O-N 2.87Å; G57-F59 VanDerWaalsContact C-N 3.33Å; G57-F59 PolarHBondContact O-N 3.49Å; G57-T60 WeakPolarHBondContact O-CB 3.48Å; G57-T60 PolarHBondContact O-N 2.95Å; G57-T60 VanDerWaalsContact O-N 3.13Å; G57-V61 WeakPolarHBondContact O-CG2 3.34Å; G57-V61 PolarHBondContact O-N 3.48Å; G57-Y205 VanDerWaalsContact CA-CE2 3.44Å; G57-Y205 VanDerWaalsContact N-CE2 3.3Å
58V98Very high94.6Very high86 Ų8660.5 Ų60.552%0.52133%0.331SS..Hα-helixtrans-58.3-46.8174.2170.70000110.6L54 T60 V61 I62L54-V58 WeakPolarHBondContact O-CG2 3.36Å; L54-V58 PolarHBondContact O-N 3.27Å; V58-T60 VanDerWaalsContact C-N 3.32Å; V58-T60 PolarHBondContact O-N 2.9Å; V58-V61 PolarHBondContact O-N 3.4Å; V58-I62 HydrophobicContact CG1-CD1 3.68Å; V58-I62 HydrophobicContact CG1-CG1 4.43Å; V58-I62 WeakPolarHBondContact O-CG1 3.3Å; V58-I62 PolarHBondContact O-N 3.26Å
59F97.7Very high95.4Very high59 Ų5959.7 Ų59.726%0.25932%0.322SS..Hα-helixtrans-59-43.9175.2174.7-93.2000112.1K55 G57 I62 S63 V153 L156 V157 I201K55-F59 WeakPolarHBondContact O-CB 3.19Å; K55-F59 PolarHBondContact O-N 3.26Å; K55-F59 VanDerWaalsContact O-N 3.1Å; G57-F59 VanDerWaalsContact C-N 3.33Å; G57-F59 PolarHBondContact O-N 3.49Å; F59-I62 PolarHBondContact O-N 3.41Å; F59-S63 VanDerWaalsContact O-CB 3.24Å; F59-S63 WeakPolarHBondContact O-CB 3.32Å; F59-S63 PolarHBondContact O-N 2.99Å; F59-S63 PolarHBondContact O-OG 3.4Å; F59-V153 HydrophobicContact CB-CG1 3.74Å; F59-V153 HydrophobicContact CD1-CG1 3.71Å; F59-V153 HydrophobicContact CD2-CG1 3.34Å; F59-V153 HydrophobicContact CE1-CG1 4.11Å; F59-V153 HydrophobicContact CE2-CG1 3.78Å; F59-V153 HydrophobicContact CG-CG1 3.28Å; F59-V153 HydrophobicContact CZ-CG1 4.14Å; F59-L156 HydrophobicContact CD1-CD1 3.8Å; F59-L156 HydrophobicContact CE1-CB 4.32Å; F59-L156 HydrophobicContact CE1-CD1 4.32Å; F59-V157 HydrophobicContact CE1-CG2 3.73Å; F59-V157 HydrophobicContact CZ-CG2 3.67Å; F59-I201 HydrophobicContact CE1-CG2 4.43Å
60T98.1Very high95.8Very high4 Ų460.6 Ų60.63%0.02533%0.331CS..Hα-helixtrans-59.2-49.9178.7-61.50000110.4C56 G57 V58 I62 S63 T64 I201 F202 Y205C56-T60 WeakPolarHBondContact O-CB 3.34Å; C56-T60 PolarHBondContact O-N 2.73Å; C56-T60 PolarHBondContact O-OG1 3.48Å; G57-T60 WeakPolarHBondContact O-CB 3.48Å; G57-T60 PolarHBondContact O-N 2.95Å; G57-T60 VanDerWaalsContact O-N 3.13Å; V58-T60 VanDerWaalsContact C-N 3.32Å; V58-T60 PolarHBondContact O-N 2.9Å; T60-I62 PolarHBondContact O-N 3.12Å; T60-S63 PolarHBondContact O-N 2.67Å; T60-S63 PolarHBondContact O-OG 3.44Å; T60-T64 HydrophobicContact CG2-CG2 4.23Å; T60-T64 WeakPolarHBondContact O-CB 3.38Å; T60-T64 WeakPolarHBondContact O-CG2 3.35Å; T60-T64 PolarHBondContact O-N 2.91Å; T60-T64 PolarHBondContact O-OG1 2.93Å; T60-I201 HydrophobicContact CG2-CG2 4.15Å; T60-F202 HydrophobicContact CG2-CB 4.32Å; T60-F202 HydrophobicContact CG2-CD2 4.07Å; T60-Y205 HydrophobicContact CG2-CD1 4.26Å; T60-Y205 HydrophobicContact CG2-CG 4.34Å; T60-Y205 WeakPolarHBondContact OG1-CB 3.28Å
61V97.6Very high95.9Very high89 Ų8956 Ų5654%0.53931%0.308SS..Hα-helixtrans-60.9-47178.7174.20000111.6G57 V58 T64 N65G57-V61 WeakPolarHBondContact O-CG2 3.34Å; G57-V61 PolarHBondContact O-N 3.48Å; V58-V61 PolarHBondContact O-N 3.4Å; V61-T64 PolarHBondContact O-OG1 3.18Å; V61-N65 WeakPolarHBondContact O-CB 3.36Å; V61-N65 PolarHBondContact O-N 2.83Å; V61-N65 PolarHBondContact O-ND2 3.39Å
62I98Very high95.9Very high109 Ų10949.6 Ų49.656%0.55928%0.282SS*.Hα-helixtrans-64.5-47.7-179.3-67.9171.6000110.8V58 F59 T60 A66V58-I62 HydrophobicContact CG1-CD1 3.68Å; V58-I62 HydrophobicContact CG1-CG1 4.43Å; V58-I62 WeakPolarHBondContact O-CG1 3.3Å; V58-I62 PolarHBondContact O-N 3.26Å; F59-I62 PolarHBondContact O-N 3.41Å; T60-I62 PolarHBondContact O-N 3.12Å; I62-A66 WeakPolarHBondContact O-CB 3.37Å; I62-A66 PolarHBondContact O-N 3.22Å
63S97.1Very high95.9Very high17 Ų1749.4 Ų49.412%0.11928%0.281CS..Hα-helixtrans-68.6-40.7-175.857.30000112.7F59 T60 A66 V67F59-S63 VanDerWaalsContact O-CB 3.24Å; F59-S63 WeakPolarHBondContact O-CB 3.32Å; F59-S63 PolarHBondContact O-N 2.99Å; F59-S63 PolarHBondContact O-OG 3.4Å; T60-S63 PolarHBondContact O-N 2.67Å; T60-S63 PolarHBondContact O-OG 3.44Å; S63-A66 PolarHBondContact O-N 3.21Å; S63-V67 WeakPolarHBondContact O-CB 3.34Å; S63-V67 VanDerWaalsContact O-CG2 3.24Å; S63-V67 WeakPolarHBondContact O-CG2 3.33Å; S63-V67 PolarHBondContact O-N 3.05Å
64T96.7Very high95.6Very high15 Ų1553.6 Ų53.69%0.09230%0.301CS..Hα-helixtrans-63.6-45.5176.757.20000111.1T60 V61 A66 V67 F68 A198 F293T60-T64 HydrophobicContact CG2-CG2 4.23Å; T60-T64 WeakPolarHBondContact O-CB 3.38Å; T60-T64 WeakPolarHBondContact O-CG2 3.35Å; T60-T64 PolarHBondContact O-N 2.91Å; T60-T64 PolarHBondContact O-OG1 2.93Å; V61-T64 PolarHBondContact O-OG1 3.18Å; T64-A66 PolarHBondContact O-N 3.19Å; T64-V67 PolarHBondContact O-N 3.43Å; T64-F68 WeakPolarHBondContact O-CD2 3.16Å; T64-F68 PolarHBondContact O-N 3.5Å; T64-F68 VanDerWaalsContact O-N 3.15Å; T64-A198 HydrophobicContact CG2-CB 3.82Å; T64-F293 HydrophobicContact CG2-CE2 4.5Å
65N95.2Very high95.4Very high106 Ų10649.3 Ų49.357%0.56728%0.282SS*.Hα-helixtrans-63.3-41.5175.2-78.9-82.8000112V61 V67 F68 L69V61-N65 WeakPolarHBondContact O-CB 3.36Å; V61-N65 PolarHBondContact O-N 2.83Å; V61-N65 PolarHBondContact O-ND2 3.39Å; N65-V67 VanDerWaalsContact C-N 3.32Å; N65-V67 PolarHBondContact O-N 2.99Å; N65-F68 PolarHBondContact O-N 2.85Å; N65-L69 VanDerWaalsContact O-CB 3.22Å; N65-L69 WeakPolarHBondContact O-CB 3.33Å; N65-L69 PolarHBondContact O-N 3.46Å
66A96.4Very high95.1Very high54 Ų5443.8 Ų43.845%0.44626%0.258SS..Hα-helixtrans-63.9-36.7177.200000112.3I62 S63 T64 G70I62-A66 WeakPolarHBondContact O-CB 3.37Å; I62-A66 PolarHBondContact O-N 3.22Å; S63-A66 PolarHBondContact O-N 3.21Å; T64-A66 PolarHBondContact O-N 3.19Å; A66-G70 WeakPolarHBondContact O-CA 3.44Å; A66-G70 PolarHBondContact O-N 2.84Å
67V96.4Very high94.8Very high28 Ų2844 Ų4417%0.1726%0.259CS..Hα-helixtrans-63.5-51.3175.4166.60000110.5S63 T64 N65 G70 S71 I197 A198S63-V67 WeakPolarHBondContact O-CB 3.34Å; S63-V67 VanDerWaalsContact O-CG2 3.24Å; S63-V67 WeakPolarHBondContact O-CG2 3.33Å; S63-V67 PolarHBondContact O-N 3.05Å; T64-V67 PolarHBondContact O-N 3.43Å; N65-V67 VanDerWaalsContact C-N 3.32Å; N65-V67 PolarHBondContact O-N 2.99Å; V67-G70 PolarHBondContact O-N 2.89Å; V67-S71 WeakPolarHBondContact O-CB 3.28Å; V67-S71 PolarHBondContact O-N 3.42Å; V67-S71 PolarHBondContact O-OG 3.48Å; V67-I197 HydrophobicContact CG1-CB 4.35Å; V67-I197 HydrophobicContact CG1-CG2 4.44Å; V67-I197 HydrophobicContact CG2-CG2 3.93Å; V67-A198 HydrophobicContact CG1-CB 4.49Å
68F94.6Very high94.4Very high34 Ų3444.5 Ų44.515%0.14926%0.26CS..Hα-helixtrans-63.1-44.3177.7-81.9-74.2000112.6T64 N65 S71 L72 V195 A198 F293 Y297 I305T64-F68 WeakPolarHBondContact O-CD2 3.16Å; T64-F68 PolarHBondContact O-N 3.5Å; T64-F68 VanDerWaalsContact O-N 3.15Å; N65-F68 PolarHBondContact O-N 2.85Å; F68-S71 PolarHBondContact O-N 2.91Å; F68-L72 WeakPolarHBondContact O-CB 3.47Å; F68-L72 PolarHBondContact O-N 3.22Å; F68-V195 HydrophobicContact CE1-CG2 4.34Å; F68-V195 HydrophobicContact CZ-CG2 4.06Å; F68-A198 HydrophobicContact CD2-CB 4.28Å; F68-A198 HydrophobicContact CE2-CB 3.72Å; F68-F293 HydrophobicContact CE2-CE1 4.36Å; F68-F293 AromaticContact CE2-CZ 4Å; F68-F293 HydrophobicContact CE2-CZ 4Å; F68-Y297 AromaticContact CE1-CD2 3.98Å; F68-Y297 HydrophobicContact CE1-CD2 3.98Å; F68-Y297 AromaticContact CE1-CE2 3.7Å; F68-Y297 HydrophobicContact CE1-CE2 3.7Å; F68-Y297 AromaticContact CZ-CD2 3.86Å; F68-Y297 HydrophobicContact CZ-CD2 3.86Å; F68-Y297 HydrophobicContact CZ-CE2 4.07Å; F68-I305 HydrophobicContact CD1-CD1 3.5Å; F68-I305 HydrophobicContact CD1-CG1 4.48Å; F68-I305 HydrophobicContact CE1-CD1 3.58Å; F68-I305 HydrophobicContact CG-CD1 4.32Å; F68-I305 HydrophobicContact CZ-CD1 4.46Å
69L94.3Very high94Very high64 Ų6446.8 Ų46.834%0.33526%0.26SS..Hα-helixtrans-60.8-46.8177177.260.1000111.4N65 L72 I73 V312 W315N65-L69 VanDerWaalsContact O-CB 3.22Å; N65-L69 WeakPolarHBondContact O-CB 3.33Å; N65-L69 PolarHBondContact O-N 3.46Å; L69-L72 PolarHBondContact O-N 3.28Å; L69-I73 HydrophobicContact CD1-CD1 3.85Å; L69-I73 HydrophobicContact CD1-CG1 4.33Å; L69-I73 HydrophobicContact CG-CD1 3.98Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.45Å; L69-V312 HydrophobicContact CD1-CG1 3.22Å; L69-W315 HydrophobicContact CD1-CZ3 4.33Å; L69-W315 HydrophobicContact CD2-CZ3 4.44Å
70G94.2Very high93.5Very high35 Ų3544.3 Ų44.336%0.36125%0.249SC..Hα-helixtrans-62.6-43.8179.300000112.1A66 V67 I73 L74A66-G70 WeakPolarHBondContact O-CA 3.44Å; A66-G70 PolarHBondContact O-N 2.84Å; V67-G70 PolarHBondContact O-N 2.89Å; G70-I73 PolarHBondContact O-N 2.97Å; G70-L74 WeakPolarHBondContact O-CB 3.32Å; G70-L74 PolarHBondContact O-N 3.18Å
71S92.8Very high93Very high11 Ų1144.8 Ų44.88%0.07725%0.253CS..Hα-helixtrans-64-41.2176.4-67.20000112.4V67 F68 L74 G75 S194V67-S71 WeakPolarHBondContact O-CB 3.28Å; V67-S71 PolarHBondContact O-N 3.42Å; V67-S71 PolarHBondContact O-OG 3.48Å; F68-S71 PolarHBondContact O-N 2.91Å; S71-L74 PolarHBondContact O-N 3.26Å; S71-G75 PolarHBondContact O-N 3.26Å; S71-S194 WeakPolarHBondContact CB-OG 3.37Å; S71-S194 PolarHBondContact OG-OG 3.18Å
72L92.3Very high92.4Very high34 Ų3446.9 Ų46.918%0.17825%0.251CS..Hα-helixtrans-65-43.4177.1-176.6140.6000112.1F68 L69 F76 I305 H309 V312 L313F68-L72 WeakPolarHBondContact O-CB 3.47Å; F68-L72 PolarHBondContact O-N 3.22Å; L69-L72 PolarHBondContact O-N 3.28Å; L72-F76 WeakPolarHBondContact O-CB 3.23Å; L72-F76 PolarHBondContact O-N 3.37Å; L72-I305 HydrophobicContact CD1-CG2 3.93Å; L72-H309 HydrophobicContact CD1-CB 3.9Å; L72-V312 HydrophobicContact CD2-CB 4.01Å; L72-V312 HydrophobicContact CD2-CG1 3.51Å; L72-L313 HydrophobicContact CD2-CD2 3.52Å; L72-L313 HydrophobicContact CD2-CG 3.89Å
73I92.6Very high91.9Very high26 Ų2649.9 Ų49.913%0.13326%0.257CS..Hα-helixtrans-65.2-45.5175-69.1168.2000110.6L69 G70 G75 F76 E77 W315 W316L69-I73 HydrophobicContact CD1-CD1 3.85Å; L69-I73 HydrophobicContact CD1-CG1 4.33Å; L69-I73 HydrophobicContact CG-CD1 3.98Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.45Å; G70-I73 PolarHBondContact O-N 2.97Å; I73-G75 PolarHBondContact O-N 2.88Å; I73-F76 PolarHBondContact O-N 3.03Å; I73-E77 HydrophobicContact CG2-CG 4.33Å; I73-E77 WeakPolarHBondContact O-CG 3.28Å; I73-E77 PolarHBondContact O-N 2.84Å; I73-W315 HydrophobicContact CD1-CZ3 4.25Å; I73-W316 HydrophobicContact CD1-CD2 4.1Å; I73-W316 HydrophobicContact CD1-CE3 3.98Å; I73-W316 HydrophobicContact CD1-CG 4.32Å; I73-W316 HydrophobicContact CG1-CB 4.37Å; I73-W316 HydrophobicContact CG1-CD2 4.27Å; I73-W316 HydrophobicContact CG1-CG 4.12Å; I73-W316 HydrophobicContact CG2-CD2 3.82Å; I73-W316 HydrophobicContact CG2-CE3 4.39Å; I73-W316 HydrophobicContact CG2-CG 4.15Å; I73-W316 HydrophobicContact CG2-CH2 4.42Å; I73-W316 HydrophobicContact CG2-CZ2 3.87Å
74L90.2Very high91.4Very high100 Ų10050.4 Ų50.452%0.52426%0.26SS..Hα-helixtrans-63-43-179.8-178.763.5000111.5G70 S71 E77 T78G70-L74 WeakPolarHBondContact O-CB 3.32Å; G70-L74 PolarHBondContact O-N 3.18Å; S71-L74 PolarHBondContact O-N 3.26Å; L74-E77 PolarHBondContact O-N 2.88Å; L74-T78 WeakPolarHBondContact O-CB 3.07Å; L74-T78 PolarHBondContact O-N 3.46Å; L74-T78 PolarHBondContact O-OG1 2.91Å
75G90.5Very high90.4Very high16 Ų1656.2 Ų56.217%0.16528%0.284CS..Hα-helixtrans-60.1-45.8174.900000111.5S71 I73 T78 W79S71-G75 PolarHBondContact O-N 3.26Å; I73-G75 PolarHBondContact O-N 2.88Å; G75-T78 PolarHBondContact O-N 2.93Å; G75-W79 WeakPolarHBondContact O-CB 3.35Å; G75-W79 PolarHBondContact O-N 3.5Å
76F90.8Very high89.7Confident22 Ų2256.2 Ų56.210%0.09630%0.3CS..Hα-helixtrans-62.4-48.7176.5171.1-102.1000113.3L72 I73 T78 W79 Q80 L313 K317L72-F76 WeakPolarHBondContact O-CB 3.23Å; L72-F76 PolarHBondContact O-N 3.37Å; I73-F76 PolarHBondContact O-N 3.03Å; F76-T78 VanDerWaalsContact C-N 3.31Å; F76-T78 PolarHBondContact O-N 3.35Å; F76-W79 PolarHBondContact O-N 3.35Å; F76-Q80 HydrophobicContact CD2-CG 4.36Å; F76-Q80 HydrophobicContact CE1-CG 4.14Å; F76-Q80 HydrophobicContact CE2-CG 3.88Å; F76-Q80 HydrophobicContact CZ-CG 3.76Å; F76-Q80 WeakPolarHBondContact O-CG 3.34Å; F76-Q80 PolarHBondContact O-N 3.09Å; F76-L313 HydrophobicContact CB-CD1 4.29Å; F76-L313 HydrophobicContact CB-CD2 3.46Å; F76-L313 VanDerWaalsContact CB-CD2 3.46Å; F76-L313 HydrophobicContact CD1-CD2 3.89Å; F76-L313 HydrophobicContact CD2-CD1 3.7Å; F76-L313 HydrophobicContact CD2-CD2 3.96Å; F76-L313 HydrophobicContact CD2-CG 4.36Å; F76-L313 HydrophobicContact CE2-CD1 4.3Å; F76-L313 HydrophobicContact CG-CD1 4.11Å; F76-L313 HydrophobicContact CG-CD2 3.48Å; F76-L313 VanDerWaalsContact CG-CD2 3.48Å; F76-L313 HydrophobicContact CG-CG 4.36Å; F76-K317 HydrophobicContact CE1-CG 4.28Å; F76-K317 HydrophobicContact CZ-CD 4.28Å; F76-K317 HydrophobicContact CZ-CG 4.16Å
77E90.3Very high88.9Confident4 Ų460.6 Ų60.62%0.01931%0.308CS..Hα-helixtrans-65.5-36.5178.7-72.5-61.4157.200111.7I73 L74 Q80 A81 I92 I96 W316 R320I73-E77 HydrophobicContact CG2-CG 4.33Å; I73-E77 WeakPolarHBondContact O-CG 3.28Å; I73-E77 PolarHBondContact O-N 2.84Å; L74-E77 PolarHBondContact O-N 2.88Å; E77-Q80 PolarHBondContact O-N 3Å; E77-A81 VanDerWaalsContact O-CB 3.25Å; E77-A81 WeakPolarHBondContact O-CB 3.35Å; E77-A81 PolarHBondContact O-N 3.13Å; E77-I92 HydrophobicContact CB-CG2 4.12Å; E77-I92 HydrophobicContact CG-CG2 4.2Å; E77-I96 HydrophobicContact CB-CD1 4.12Å; E77-W316 PolarHBondContact OE1-NE1 3.32Å; E77-R320 VanDerWaalsContact OE1-CD 3.31Å; E77-R320 WeakPolarHBondContact OE1-CD 3.4Å; E77-R320 IonicContact OE1-CZ 3.41Å; E77-R320 IonicContact OE1-NE 3.38Å; E77-R320 IonicContact OE1-NH1 3.79Å; E77-R320 PolarHBondContact OE1-NH1 2.83Å; E77-R320 IonicContact OE2-NH1 3.47Å; E77-R320 PolarHBondContact OE2-NH1 3.18Å
78T88Confident88.2Confident21 Ų2159.7 Ų59.713%0.12930%0.303CS..Hα-helixtrans-65.6-41.5174.9-61.30000111.3L74 G75 F76 R82L74-T78 WeakPolarHBondContact O-CB 3.07Å; L74-T78 PolarHBondContact O-N 3.46Å; L74-T78 PolarHBondContact O-OG1 2.91Å; G75-T78 PolarHBondContact O-N 2.93Å; F76-T78 VanDerWaalsContact C-N 3.31Å; F76-T78 PolarHBondContact O-N 3.35Å; T78-R82 WeakPolarHBondContact O-CG 3.22Å; T78-R82 PolarHBondContact O-N 2.88Å
79W89.2Confident87.7Confident135 Ų13558.5 Ų58.551%0.51130%0.298SS..Hα-helixtrans-63.4-45.9173.9175.688.9000111.2G75 F76 A81 R82 Y83G75-W79 WeakPolarHBondContact O-CB 3.35Å; G75-W79 PolarHBondContact O-N 3.5Å; F76-W79 PolarHBondContact O-N 3.35Å; W79-A81 PolarHBondContact O-N 3.34Å; W79-R82 PolarHBondContact O-N 3.42Å; W79-Y83 AromaticContact CD1-CD2 3.56Å; W79-Y83 AromaticContact CD1-CE2 4Å; W79-Y83 HydrophobicContact CG-CD2 4.15Å; W79-Y83 AromaticContact NE1-CD2 3.61Å; W79-Y83 WeakPolarHBondContact O-CD2 3.36Å; W79-Y83 PolarHBondContact O-N 3.4Å
80Q88.1Confident87.4Confident7 Ų763.1 Ų63.13%0.03331%0.313CS..Hα-helixtrans-64.3-41.3178-74.7-158.3-35.700112.9F76 E77 R82 Y83 S84 K85F76-Q80 HydrophobicContact CD2-CG 4.36Å; F76-Q80 HydrophobicContact CE1-CG 4.14Å; F76-Q80 HydrophobicContact CE2-CG 3.88Å; F76-Q80 HydrophobicContact CZ-CG 3.76Å; F76-Q80 WeakPolarHBondContact O-CG 3.34Å; F76-Q80 PolarHBondContact O-N 3.09Å; E77-Q80 PolarHBondContact O-N 3Å; Q80-R82 PolarHBondContact O-N 2.89Å; Q80-Y83 PolarHBondContact O-N 2.9Å; Q80-S84 CarbonylContact O-C 3.05Å; Q80-S84 WeakPolarHBondContact O-CA 3.22Å; Q80-S84 PolarHBondContact O-N 2.99Å; Q80-K85 PolarHBondContact O-N 3.47Å
81A86.7Confident87.1Confident14 Ų1463.5 Ų63.512%0.11631%0.313CS..Hα-helixtrans-59.7-32.1176.100000112.3E77 W79 K85 R93E77-A81 VanDerWaalsContact O-CB 3.25Å; E77-A81 WeakPolarHBondContact O-CB 3.35Å; E77-A81 PolarHBondContact O-N 3.13Å; W79-A81 PolarHBondContact O-N 3.34Å; A81-K85 WeakPolarHBondContact O-CG 3.47Å; A81-R93 HydrophobicContact CB-CB 4.43Å; A81-R93 HydrophobicContact CB-CG 4Å
82R85.3Confident86.8Confident132 Ų13265 Ų6550%0.49832%0.319SS..Hα-helixtrans-81-50177.4-69.1179.9-148.9-169.88.7112.6T78 W79 Q80T78-R82 WeakPolarHBondContact O-CG 3.22Å; T78-R82 PolarHBondContact O-N 2.88Å; W79-R82 PolarHBondContact O-N 3.42Å; Q80-R82 PolarHBondContact O-N 2.89Å
83Y88.2Confident86.7Confident172 Ų17266.2 Ų66.268%0.67532%0.322SS*.Hα-helixtrans-111.7-20.7-165.2-60.9-73.9000115.1W79 Q80W79-Y83 AromaticContact CD1-CD2 3.56Å; W79-Y83 AromaticContact CD1-CE2 4Å; W79-Y83 HydrophobicContact CG-CD2 4.15Å; W79-Y83 AromaticContact NE1-CD2 3.61Å; W79-Y83 WeakPolarHBondContact O-CD2 3.36Å; W79-Y83 PolarHBondContact O-N 3.4Å; Q80-Y83 PolarHBondContact O-N 2.9Å
84S85.6Confident86.6Confident28 Ų2868.8 Ų68.820%0.19634%0.336CS..  trans-131.355-177.3-157.90000111.4Q80 A86 K87 S88Q80-S84 CarbonylContact O-C 3.05Å; Q80-S84 WeakPolarHBondContact O-CA 3.22Å; Q80-S84 PolarHBondContact O-N 2.99Å; S84-A86 PolarHBondContact O-N 2.93Å; S84-A86 VanDerWaalsContact O-N 3.11Å; S84-K87 PolarHBondContact O-N 3.26Å; S84-S88 PolarHBondContact O-N 3.3Å
85K77.6Confident86.7Confident137 Ų13770.8 Ų70.860%0.59634%0.34SS*.G310 helixtrans-52.9-35.9-175.4-70-179.1-177.6176.10113.3Q80 A81 K87 S88 R93Q80-K85 PolarHBondContact O-N 3.47Å; A81-K85 WeakPolarHBondContact O-CG 3.47Å; K85-K87 VanDerWaalsContact C-N 3.26Å; K85-K87 PolarHBondContact O-N 3.38Å; K85-S88 PolarHBondContact O-N 2.97Å; K85-R93 PolarHBondContact O-NH1 2.91Å; K85-R93 VanDerWaalsContact O-NH1 3.09Å
86A79.6Confident86.7Confident107 Ų10771.5 Ų71.588%0.88434%0.34SS*.G310 helixtrans-63-28.6177.600000113.7S84S84-A86 PolarHBondContact O-N 2.93Å; S84-A86 VanDerWaalsContact O-N 3.11Å
87K79.7Confident86.7Confident145 Ų14573.4 Ų73.463%0.6336%0.356SS*.G310 helixtrans-98.9-6.4179.3-66.8-176179.5178.90113.8S84 K85 R320S84-K87 PolarHBondContact O-N 3.26Å; K85-K87 VanDerWaalsContact C-N 3.26Å; K85-K87 PolarHBondContact O-N 3.38Å; K87-R320 PolarHBondContact O-NH2 2.95Å; K87-R320 VanDerWaalsContact O-NH2 3.1Å
88S81Confident86.9Confident9 Ų980.9 Ų80.96%0.06339%0.388CS..SBendtrans-87.2132-177.5177.30000110.1S84 K85 Y90 R93S84-S88 PolarHBondContact O-N 3.3Å; K85-S88 PolarHBondContact O-N 2.97Å; S88-Y90 PolarHBondContact O-N 2.67Å; S88-R93 PolarHBondContact O-NH1 2.58Å; S88-R93 VanDerWaalsContact O-NH1 3.11Å
89D84.8Confident87.1Confident9 Ų982.8 Ų82.85%0.04840%0.4CS..  trans-56.1123.1173179.7-32.1000109.4A91 I92 R93 R320 L324 R327D89-A91 VanDerWaalsContact C-N 3.27Å; D89-A91 PolarHBondContact O-N 2.68Å; D89-A91 WeakPolarHBondContact OD1-CA 3.33Å; D89-A91 WeakPolarHBondContact OD1-CB 3.48Å; D89-A91 PolarHBondContact OD1-N 3.01Å; D89-I92 HydrophobicContact CB-CB 4.06Å; D89-I92 HydrophobicContact CB-CD1 3.91Å; D89-I92 HydrophobicContact CB-CG1 3.94Å; D89-I92 PolarHBondContact O-N 3.4Å; D89-I92 PolarHBondContact OD1-N 2.95Å; D89-R93 WeakPolarHBondContact O-CB 3.31Å; D89-R93 PolarHBondContact O-N 3.36Å; D89-R320 HydrophobicContact CB-CG 4.43Å; D89-L324 HydrophobicContact CB-CD1 4.2Å; D89-L324 HydrophobicContact CB-CD2 4.13Å; D89-L324 HydrophobicContact CB-CG 4.49Å; D89-R327 IonicContact OD1-NH1 2.67Å; D89-R327 IonicContact OD2-NH1 3.65Å; D89-R327 PolarHBondContact OD2-NH1 2.7Å
90Y87.1Confident87.2Confident161 Ų16180 Ų8063%0.63139%0.389SS*.Hα-helixtrans-55.5-42.1-178.5178.8-89.7000112.3S88 N94S88-Y90 PolarHBondContact O-N 2.67Å; Y90-N94 HydrophobicContact CE1-CB 4.43Å; Y90-N94 WeakPolarHBondContact O-CB 3.18Å; Y90-N94 PolarHBondContact O-N 3.09Å
91A88Confident87.5Confident44 Ų4481.3 Ų81.336%0.36441%0.405SS..Hα-helixtrans-68.1-43.5-178.500000111.4D89 N94 F95D89-A91 VanDerWaalsContact C-N 3.27Å; D89-A91 PolarHBondContact O-N 2.68Å; D89-A91 WeakPolarHBondContact OD1-CA 3.33Å; D89-A91 WeakPolarHBondContact OD1-CB 3.48Å; D89-A91 PolarHBondContact OD1-N 3.01Å; A91-N94 PolarHBondContact O-N 2.94Å; A91-F95 WeakPolarHBondContact O-CB 3.31Å; A91-F95 PolarHBondContact O-N 3.39Å
92I87.4Confident87.9Confident42 Ų4284.2 Ų84.222%0.21542%0.423CS..Hα-helixtrans-64.3-47.8176.5-62.9179.7000109.9E77 D89 N94 F95 I96 W316E77-I92 HydrophobicContact CB-CG2 4.12Å; E77-I92 HydrophobicContact CG-CG2 4.2Å; D89-I92 HydrophobicContact CB-CB 4.06Å; D89-I92 HydrophobicContact CB-CD1 3.91Å; D89-I92 HydrophobicContact CB-CG1 3.94Å; D89-I92 PolarHBondContact O-N 3.4Å; D89-I92 PolarHBondContact OD1-N 2.95Å; I92-N94 VanDerWaalsContact C-N 3.34Å; I92-N94 PolarHBondContact O-N 3.08Å; I92-F95 PolarHBondContact O-N 2.89Å; I92-I96 HydrophobicContact CG2-CD1 3.71Å; I92-I96 HydrophobicContact CG2-CG1 4.31Å; I92-I96 WeakPolarHBondContact O-CG1 3.4Å; I92-I96 PolarHBondContact O-N 3.31Å; I92-W316 HydrophobicContact CD1-CZ2 4.15Å
93R89.2Confident88.3Confident60 Ų6081.1 Ų81.123%0.22642%0.416CS..Hα-helixtrans-57.6-47.3177.5-177.717566.8-117.910.4111.8A81 K85 S88 D89 F95 I96 S97A81-R93 HydrophobicContact CB-CB 4.43Å; A81-R93 HydrophobicContact CB-CG 4Å; K85-R93 PolarHBondContact O-NH1 2.91Å; K85-R93 VanDerWaalsContact O-NH1 3.09Å; S88-R93 PolarHBondContact O-NH1 2.58Å; S88-R93 VanDerWaalsContact O-NH1 3.11Å; D89-R93 WeakPolarHBondContact O-CB 3.31Å; D89-R93 PolarHBondContact O-N 3.36Å; R93-F95 VanDerWaalsContact C-N 3.33Å; R93-I96 PolarHBondContact O-N 2.96Å; R93-S97 WeakPolarHBondContact O-CB 3.13Å; R93-S97 PolarHBondContact O-N 3.43Å; R93-S97 PolarHBondContact O-OG 2.89Å; R93-S97 VanDerWaalsContact O-OG 3.12Å
94N92Very high88.6Confident80 Ų8075.1 Ų75.143%0.42839%0.394SS..Hα-helixtrans-64.4-38.6179.8-173.144.2000111.8Y90 A91 I92 S97 K98Y90-N94 HydrophobicContact CE1-CB 4.43Å; Y90-N94 WeakPolarHBondContact O-CB 3.18Å; Y90-N94 PolarHBondContact O-N 3.09Å; A91-N94 PolarHBondContact O-N 2.94Å; I92-N94 VanDerWaalsContact C-N 3.34Å; I92-N94 PolarHBondContact O-N 3.08Å; N94-S97 WeakPolarHBondContact CA-OG 3.25Å; N94-S97 PolarHBondContact O-OG 3.2Å; N94-K98 WeakPolarHBondContact O-CB 3.3Å; N94-K98 PolarHBondContact O-N 3.02Å
95F91.8Very high89.1Confident142 Ų14282.7 Ų82.762%0.62342%0.424SS*.Hα-helixtrans-63.9-50.6173.9176.4-100.8000111.5A91 I92 R93 S97 K98 V99A91-F95 WeakPolarHBondContact O-CB 3.31Å; A91-F95 PolarHBondContact O-N 3.39Å; I92-F95 PolarHBondContact O-N 2.89Å; R93-F95 VanDerWaalsContact C-N 3.33Å; F95-S97 VanDerWaalsContact C-N 3.35Å; F95-S97 PolarHBondContact O-N 3.45Å; F95-K98 PolarHBondContact O-N 3.26Å; F95-V99 HydrophobicContact CD1-CG2 4.44Å; F95-V99 HydrophobicContact CD2-CG2 4.28Å; F95-V99 HydrophobicContact CE1-CG2 4.04Å; F95-V99 HydrophobicContact CE2-CG2 3.85Å; F95-V99 HydrophobicContact CZ-CG2 3.72Å; F95-V99 WeakPolarHBondContact O-CG2 3.36Å; F95-V99 PolarHBondContact O-N 2.77Å
96I89.8Confident89.8Confident30 Ų3082.7 Ų82.715%0.15443%0.429CS..Hα-helixtrans-59.3-45.5178.5-68.8173.4000110.5E77 I92 R93 V99 R100E77-I96 HydrophobicContact CB-CD1 4.12Å; I92-I96 HydrophobicContact CG2-CD1 3.71Å; I92-I96 HydrophobicContact CG2-CG1 4.31Å; I92-I96 WeakPolarHBondContact O-CG1 3.4Å; I92-I96 PolarHBondContact O-N 3.31Å; R93-I96 PolarHBondContact O-N 2.96Å; I96-V99 PolarHBondContact O-N 2.81Å; I96-R100 WeakPolarHBondContact O-CB 3.4Å; I96-R100 PolarHBondContact O-N 3.01Å
97S91.1Very high90.5Very high63 Ų6381 Ų8144%0.44141%0.405SS..Hα-helixtrans-65.6-38.6179.463.10000112.3R93 N94 F95 G101R93-S97 WeakPolarHBondContact O-CB 3.13Å; R93-S97 PolarHBondContact O-N 3.43Å; R93-S97 PolarHBondContact O-OG 2.89Å; R93-S97 VanDerWaalsContact O-OG 3.12Å; N94-S97 WeakPolarHBondContact CA-OG 3.25Å; N94-S97 PolarHBondContact O-OG 3.2Å; F95-S97 VanDerWaalsContact C-N 3.35Å; F95-S97 PolarHBondContact O-N 3.45Å; S97-G101 PolarHBondContact O-N 3.17Å
98K94.5Very high91.2Very high160 Ų16077.5 Ų77.570%0.69641%0.41SS*.Hα-helixtrans-67.1-45.5177.2-173.3175.6-177.8177.80112.1N94 F95 G101 C102N94-K98 WeakPolarHBondContact O-CB 3.3Å; N94-K98 PolarHBondContact O-N 3.02Å; F95-K98 PolarHBondContact O-N 3.26Å; K98-G101 PolarHBondContact O-N 3.47Å; K98-C102 WeakPolarHBondContact O-CB 3.47Å; K98-C102 PolarHBondContact O-N 3.17Å
99V92.8Very high91.9Very high61 Ų6181.2 Ų81.237%0.3742%0.422SS..Hα-helixtrans-62.7-49.5176.5171.40000110.1F95 I96 G101 C102 I103F95-V99 HydrophobicContact CD1-CG2 4.44Å; F95-V99 HydrophobicContact CD2-CG2 4.28Å; F95-V99 HydrophobicContact CE1-CG2 4.04Å; F95-V99 HydrophobicContact CE2-CG2 3.85Å; F95-V99 HydrophobicContact CZ-CG2 3.72Å; F95-V99 WeakPolarHBondContact O-CG2 3.36Å; F95-V99 PolarHBondContact O-N 2.77Å; I96-V99 PolarHBondContact O-N 2.81Å; V99-G101 PolarHBondContact O-N 3.4Å; V99-C102 WeakPolarHBondContact O-CB 3.2Å; V99-C102 PolarHBondContact O-N 3.26Å; V99-I103 HydrophobicContact CG1-CD1 3.88Å; V99-I103 WeakPolarHBondContact O-CG1 3.36Å; V99-I103 PolarHBondContact O-N 2.86Å
100R91.4Very high92.3Very high76 Ų7685.1 Ų85.129%0.28745%0.448SS..Hα-helixtrans-57.4-49.4176.9174165.2-174.1177.94.7111.8I96 C102 I103 E104 L111I96-R100 WeakPolarHBondContact O-CB 3.4Å; I96-R100 PolarHBondContact O-N 3.01Å; R100-C102 VanDerWaalsContact C-N 3.3Å; R100-C102 PolarHBondContact O-N 3.41Å; R100-I103 PolarHBondContact O-N 3.47Å; R100-I103 VanDerWaalsContact O-N 3.16Å; R100-E104 HydrophobicContact CG-CG 4.17Å; R100-E104 IonicContact CZ-OE1 3.53Å; R100-E104 IonicContact NE-OE1 2.83Å; R100-E104 PolarHBondContact NE-OE1 3.47Å; R100-E104 IonicContact NE-OE2 3.94Å; R100-E104 IonicContact NH2-OE1 3.96Å; R100-E104 PolarHBondContact NH2-OE1 3.43Å; R100-E104 VanDerWaalsContact NH2-OE1 3.09Å; R100-E104 WeakPolarHBondContact O-CB 3.15Å; R100-E104 WeakPolarHBondContact O-CG 3.41Å; R100-E104 PolarHBondContact O-N 3.38Å; R100-L111 HydrophobicContact CG-CD1 4.17Å
101G94.2Very high92.5Very high35 Ų3580.2 Ų80.236%0.36143%0.432SS..Hα-helixtrans-62.3-35.9179.400000113S97 K98 V99 K105S97-G101 PolarHBondContact O-N 3.17Å; K98-G101 PolarHBondContact O-N 3.47Å; V99-G101 PolarHBondContact O-N 3.4Å; G101-K105 VanDerWaalsContact O-CB 3.28Å; G101-K105 WeakPolarHBondContact O-CB 3.41Å; G101-K105 PolarHBondContact O-N 3.43Å
102C95.7Very high92.8Very high75 Ų7584.7 Ų84.751%0.50744%0.444SS..Hα-helixtrans-62.4-47173.1-171.70000111.5K98 V99 R100 K105 I106K98-C102 WeakPolarHBondContact O-CB 3.47Å; K98-C102 PolarHBondContact O-N 3.17Å; V99-C102 WeakPolarHBondContact O-CB 3.2Å; V99-C102 PolarHBondContact O-N 3.26Å; R100-C102 VanDerWaalsContact C-N 3.3Å; R100-C102 PolarHBondContact O-N 3.41Å; C102-K105 PolarHBondContact O-N 3.04Å; C102-I106 WeakPolarHBondContact O-CG1 3.31Å; C102-I106 PolarHBondContact O-N 3.03Å; C102-I106 VanDerWaalsContact O-N 3.12Å
103I93.1Very high93Very high67 Ų6785 Ų8534%0.34445%0.453SS..Hα-helixtrans-67.4-43.2179.5-60.7164.8000111V99 R100 K105 I106 L107 L111V99-I103 HydrophobicContact CG1-CD1 3.88Å; V99-I103 WeakPolarHBondContact O-CG1 3.36Å; V99-I103 PolarHBondContact O-N 2.86Å; R100-I103 PolarHBondContact O-N 3.47Å; R100-I103 VanDerWaalsContact O-N 3.16Å; I103-K105 VanDerWaalsContact C-N 3.29Å; I103-K105 PolarHBondContact O-N 3.19Å; I103-I106 PolarHBondContact O-N 3.44Å; I103-I106 VanDerWaalsContact O-N 3.14Å; I103-L107 HydrophobicContact CG2-CD1 3.82Å; I103-L107 HydrophobicContact CG2-CG 4.27Å; I103-L107 WeakPolarHBondContact O-CG 3.29Å; I103-L107 PolarHBondContact O-N 2.67Å; I103-L111 HydrophobicContact CB-CD1 4.14Å; I103-L111 HydrophobicContact CD1-CD1 4.31Å; I103-L111 HydrophobicContact CG2-CD1 4Å; I103-L111 HydrophobicContact CG2-CD2 3.67Å; I103-L111 HydrophobicContact CG2-CG 4.06Å
104E94.8Very high93.3Very high47 Ų4784.5 Ų84.522%0.2245%0.452CS..Hα-helixtrans-64.8-33.7178.1-70.8179.3160.900111.8R100 L107 G108 R109 P110 L111R100-E104 HydrophobicContact CG-CG 4.17Å; R100-E104 IonicContact CZ-OE1 3.53Å; R100-E104 IonicContact NE-OE1 2.83Å; R100-E104 PolarHBondContact NE-OE1 3.47Å; R100-E104 IonicContact NE-OE2 3.94Å; R100-E104 IonicContact NH2-OE1 3.96Å; R100-E104 PolarHBondContact NH2-OE1 3.43Å; R100-E104 VanDerWaalsContact NH2-OE1 3.09Å; R100-E104 WeakPolarHBondContact O-CB 3.15Å; R100-E104 WeakPolarHBondContact O-CG 3.41Å; R100-E104 PolarHBondContact O-N 3.38Å; E104-L107 PolarHBondContact O-N 3.47Å; E104-G108 WeakPolarHBondContact O-CA 3.48Å; E104-G108 PolarHBondContact O-N 3Å; E104-R109 PolarHBondContact O-N 3.17Å; E104-P110 WeakPolarHBondContact OE1-CA 3.26Å; E104-L111 HydrophobicContact CG-CB 4.26Å; E104-L111 HydrophobicContact CG-CD1 4.45Å; E104-L111 HydrophobicContact CG-CG 3.9Å; E104-L111 PolarHBondContact OE1-N 2.89Å
105K95.1Very high93.5Very high186 Ų18681.3 Ų81.381%0.80944%0.435SS*.Hα-helixtrans-64.8-40.6171.6-174.5178-179.5179.40112.1G101 C102 I103G101-K105 VanDerWaalsContact O-CB 3.28Å; G101-K105 WeakPolarHBondContact O-CB 3.41Å; G101-K105 PolarHBondContact O-N 3.43Å; C102-K105 PolarHBondContact O-N 3.04Å; I103-K105 VanDerWaalsContact C-N 3.29Å; I103-K105 PolarHBondContact O-N 3.19Å
106I93.4Very high93.7Very high137 Ų13776.5 Ų76.570%0.70342%0.417SS*.Hα-helixtrans-67.2-41.3176-67.7165.6000110.8C102 I103C102-I106 WeakPolarHBondContact O-CG1 3.31Å; C102-I106 PolarHBondContact O-N 3.03Å; C102-I106 VanDerWaalsContact O-N 3.12Å; I103-I106 PolarHBondContact O-N 3.44Å; I103-I106 VanDerWaalsContact O-N 3.14Å
107L93.5Very high94.1Very high72 Ų7275.7 Ų75.738%0.37741%0.412SS..Hα-helixtrans-78.6-19.6-179-69.2175.3000113.8I103 E104 R109 L111I103-L107 HydrophobicContact CG2-CD1 3.82Å; I103-L107 HydrophobicContact CG2-CG 4.27Å; I103-L107 WeakPolarHBondContact O-CG 3.29Å; I103-L107 PolarHBondContact O-N 2.67Å; E104-L107 PolarHBondContact O-N 3.47Å; L107-R109 HydrophobicContact CB-CG 4.19Å; L107-R109 PolarHBondContact O-N 3.44Å; L107-L111 HydrophobicContact CD1-CD2 3.55Å; L107-L111 HydrophobicContact CD1-CG 4.41Å
108G94.6Very high94.4Very high72 Ų7278.9 Ų78.974%0.74242%0.415SS*.THydrogen-bonded Turntrans67.412.5-173.700000114.2E104E104-G108 WeakPolarHBondContact O-CA 3.48Å; E104-G108 PolarHBondContact O-N 3Å
109R95.8Very high94.5Very high87 Ų8773.7 Ų73.733%0.32840%0.402SS..SBendtrans-153.7160.9-179.163.4171.617680.4-2.8111.7E104 L107 D115E104-R109 PolarHBondContact O-N 3.17Å; L107-R109 HydrophobicContact CB-CG 4.19Å; L107-R109 PolarHBondContact O-N 3.44Å; R109-D115 IonicContact CZ-OD1 2.76Å; R109-D115 IonicContact CZ-OD2 3.09Å; R109-D115 IonicContact NH1-OD1 3.72Å; R109-D115 PolarHBondContact NH1-OD1 3.09Å; R109-D115 VanDerWaalsContact NH1-OD1 3.12Å; R109-D115 IonicContact NH1-OD2 3.41Å; R109-D115 PolarHBondContact NH1-OD2 2.79Å; R109-D115 IonicContact NH2-OD1 3.91Å; R109-D115 PolarHBondContact NH2-OD1 3.13Å; R109-D115 IonicContact NH2-OD2 2.74Å
110P92.4Very high94.7Very high91 Ų9171 Ų7159%0.59139%0.385SS*.  trans-58.3145.1173.1-24.234.4000112.7E104 K112E104-P110 WeakPolarHBondContact OE1-CA 3.26Å; P110-K112 PolarHBondContact O-N 3.43Å
111L91.6Very high95.1Very high57 Ų5768.1 Ų68.130%0.29838%0.376SS..  trans-66.1127.7177.1-88.4176.5000111.2R100 I103 E104 L107 D115R100-L111 HydrophobicContact CG-CD1 4.17Å; I103-L111 HydrophobicContact CB-CD1 4.14Å; I103-L111 HydrophobicContact CD1-CD1 4.31Å; I103-L111 HydrophobicContact CG2-CD1 4Å; I103-L111 HydrophobicContact CG2-CD2 3.67Å; I103-L111 HydrophobicContact CG2-CG 4.06Å; E104-L111 HydrophobicContact CG-CB 4.26Å; E104-L111 HydrophobicContact CG-CD1 4.45Å; E104-L111 HydrophobicContact CG-CG 3.9Å; E104-L111 PolarHBondContact OE1-N 2.89Å; L107-L111 HydrophobicContact CD1-CD2 3.55Å; L107-L111 HydrophobicContact CD1-CG 4.41Å; L111-D115 HydrophobicContact CD2-CB 3.84Å
112K93.7Very high95.2Very high139 Ų13968.7 Ų68.760%0.60438%0.378SS*.  trans-104.4153.5173.2-63.3-177.7-179.3-177.50109.5P110 F114 D115P110-K112 PolarHBondContact O-N 3.43Å; K112-F114 PolarHBondContact O-N 3.19Å; K112-D115 PolarHBondContact N-OD2 2.86Å; K112-D115 VanDerWaalsContact O-CB 3.26Å; K112-D115 WeakPolarHBondContact O-CB 3.21Å; K112-D115 PolarHBondContact O-N 2.91Å
113A92.6Very high95.3Very high48 Ų4867.9 Ų67.940%0.39737%0.372SS..THydrogen-bonded Turntrans-54.9-38.9177.300000112.4D115 V116 I184 V189A113-D115 PolarHBondContact O-N 3.08Å; A113-V116 PolarHBondContact O-N 3.05Å; A113-I184 HydrophobicContact CB-CG2 3.66Å; A113-V189 HydrophobicContact CB-CB 4.07Å; A113-V189 HydrophobicContact CB-CG2 4.47Å; A113-V189 WeakPolarHBondContact O-CG2 3.06Å
114F96.2Very high95.6Very high50 Ų5064.7 Ų64.722%0.21936%0.356CS..THydrogen-bonded Turntrans-66.5-13.9177.7-161.4-101.7000114K112 V116 Y117 W118 H177 A180 I184K112-F114 PolarHBondContact O-N 3.19Å; F114-V116 PolarHBondContact O-N 2.89Å; F114-Y117 HydrophobicContact CD1-CD1 4.37Å; F114-Y117 AromaticContact CE1-CD1 3.62Å; F114-Y117 HydrophobicContact CE1-CD1 3.62Å; F114-Y117 HydrophobicContact CE1-CE1 4.34Å; F114-Y117 HydrophobicContact CE1-CG 4.17Å; F114-Y117 AromaticContact CZ-CD1 3.85Å; F114-Y117 HydrophobicContact CZ-CD1 3.85Å; F114-Y117 HydrophobicContact CZ-CE1 4.49Å; F114-Y117 HydrophobicContact CZ-CG 4.05Å; F114-Y117 VanDerWaalsContact O-CB 3.32Å; F114-Y117 WeakPolarHBondContact O-CB 3.33Å; F114-Y117 PolarHBondContact O-N 3.44Å; F114-W118 AromaticContact CD1-NE1 3.83Å; F114-W118 AromaticContact CE1-NE1 3.88Å; F114-H177 AromaticContact CE1-CD2 4Å; F114-H177 AromaticContact CZ-CD2 3.57Å; F114-H177 AromaticContact CZ-NE2 3.77Å; F114-A180 HydrophobicContact CD2-CB 4.49Å; F114-A180 HydrophobicContact CE2-CB 3.85Å; F114-I184 HydrophobicContact CD2-CD1 4.31Å
115D96.1Very high95.7Very high13 Ų1366 Ų667%0.0736%0.363CS..Hα-helixtrans-66.8-18.6178.7-65-28.8000112.9R109 L111 K112 A113 Y117 W118 A119R109-D115 IonicContact CZ-OD1 2.76Å; R109-D115 IonicContact CZ-OD2 3.09Å; R109-D115 IonicContact NH1-OD1 3.72Å; R109-D115 PolarHBondContact NH1-OD1 3.09Å; R109-D115 VanDerWaalsContact NH1-OD1 3.12Å; R109-D115 IonicContact NH1-OD2 3.41Å; R109-D115 PolarHBondContact NH1-OD2 2.79Å; R109-D115 IonicContact NH2-OD1 3.91Å; R109-D115 PolarHBondContact NH2-OD1 3.13Å; R109-D115 IonicContact NH2-OD2 2.74Å; L111-D115 HydrophobicContact CD2-CB 3.84Å; K112-D115 PolarHBondContact N-OD2 2.86Å; K112-D115 VanDerWaalsContact O-CB 3.26Å; K112-D115 WeakPolarHBondContact O-CB 3.21Å; K112-D115 PolarHBondContact O-N 2.91Å; A113-D115 PolarHBondContact O-N 3.08Å; D115-Y117 VanDerWaalsContact C-N 3.28Å; D115-Y117 PolarHBondContact O-N 3.04Å; D115-W118 PolarHBondContact O-N 2.99Å; D115-A119 PolarHBondContact O-N 2.84Å
116V95.9Very high95.8Very high40 Ų4062.8 Ų62.824%0.24236%0.355CS..Hα-helixtrans-63.5-34.8170.9173.40000111.7A113 F114 A119 I120 V189 F192 F193A113-V116 PolarHBondContact O-N 3.05Å; F114-V116 PolarHBondContact O-N 2.89Å; V116-A119 PolarHBondContact O-N 2.82Å; V116-I120 HydrophobicContact CG1-CD1 4.24Å; V116-I120 WeakPolarHBondContact O-CG1 3.33Å; V116-I120 PolarHBondContact O-N 3.48Å; V116-V189 HydrophobicContact CB-CG2 3.85Å; V116-V189 HydrophobicContact CG1-CG2 4.44Å; V116-V189 HydrophobicContact CG2-CG2 3.36Å; V116-F192 HydrophobicContact CG1-CD1 4.38Å; V116-F192 HydrophobicContact CG1-CE1 4.23Å; V116-F193 HydrophobicContact CG1-CB 4.29Å; V116-F193 HydrophobicContact CG1-CD2 3.87Å; V116-F193 HydrophobicContact CG1-CG 4.47Å
117Y97.8Very high96Very high13 Ų1357.3 Ų57.35%0.05133%0.327CS..Hα-helixtrans-59.9-48.8171.5163.8-96.6000110.7F114 D115 A119 I120 V121 M173 L176 H177 A180F114-Y117 HydrophobicContact CD1-CD1 4.37Å; F114-Y117 AromaticContact CE1-CD1 3.62Å; F114-Y117 HydrophobicContact CE1-CD1 3.62Å; F114-Y117 HydrophobicContact CE1-CE1 4.34Å; F114-Y117 HydrophobicContact CE1-CG 4.17Å; F114-Y117 AromaticContact CZ-CD1 3.85Å; F114-Y117 HydrophobicContact CZ-CD1 3.85Å; F114-Y117 HydrophobicContact CZ-CE1 4.49Å; F114-Y117 HydrophobicContact CZ-CG 4.05Å; F114-Y117 VanDerWaalsContact O-CB 3.32Å; F114-Y117 WeakPolarHBondContact O-CB 3.33Å; F114-Y117 PolarHBondContact O-N 3.44Å; D115-Y117 VanDerWaalsContact C-N 3.28Å; D115-Y117 PolarHBondContact O-N 3.04Å; Y117-A119 VanDerWaalsContact C-N 3.29Å; Y117-A119 PolarHBondContact O-N 3.46Å; Y117-I120 WeakPolarHBondContact O-CB 3.42Å; Y117-I120 PolarHBondContact O-N 3.39Å; Y117-I120 VanDerWaalsContact O-N 3.09Å; Y117-V121 HydrophobicContact CD1-CG2 4.2Å; Y117-V121 HydrophobicContact CD2-CG2 4.28Å; Y117-V121 HydrophobicContact CE1-CG2 3.63Å; Y117-V121 HydrophobicContact CE2-CG2 3.73Å; Y117-V121 HydrophobicContact CG-CG2 4.49Å; Y117-V121 WeakPolarHBondContact O-CG2 3.23Å; Y117-V121 PolarHBondContact O-N 3.17Å; Y117-M173 VanDerWaalsContact CE2-O 3.31Å; Y117-M173 WeakPolarHBondContact CE2-O 3.41Å; Y117-M173 PolarHBondContact OH-O 3.22Å; Y117-L176 HydrophobicContact CD2-CB 4.42Å; Y117-L176 HydrophobicContact CD2-CD2 3.96Å; Y117-L176 HydrophobicContact CD2-CG 3.89Å; Y117-L176 HydrophobicContact CE2-CB 4.12Å; Y117-L176 HydrophobicContact CE2-CD2 4.21Å; Y117-L176 HydrophobicContact CE2-CG 4.09Å; Y117-H177 HydrophobicContact CE1-CB 4.3Å; Y117-H177 AromaticContact CE1-CD2 3.68Å; Y117-H177 HydrophobicContact CE2-CB 3.74Å; Y117-H177 AromaticContact CZ-CD2 3.86Å; Y117-H177 WeakPolarHBondContact OH-CB 3.42Å; Y117-A180 HydrophobicContact CD2-CB 4.38Å
118W97.1Very high96.2Very high130 Ų13055.2 Ų55.249%0.49232%0.315SS..Hα-helixtrans-63.5-34.2178.6-68.9116.3000112.8F114 D115 V121 A122F114-W118 AromaticContact CD1-NE1 3.83Å; F114-W118 AromaticContact CE1-NE1 3.88Å; D115-W118 PolarHBondContact O-N 2.99Å; W118-V121 HydrophobicContact CE3-CB 4.38Å; W118-V121 HydrophobicContact CE3-CG1 4.44Å; W118-V121 HydrophobicContact CE3-CG2 4.39Å; W118-V121 PolarHBondContact O-N 2.63Å; W118-A122 WeakPolarHBondContact O-CB 3.39Å; W118-A122 PolarHBondContact O-N 3.16Å
119A96.4Very high96.4Very high52 Ų5256.7 Ų56.743%0.4331%0.306SS..Hα-helixtrans-63.5-43.1172.100000111.7D115 V116 Y117 V121 A122 C123D115-A119 PolarHBondContact O-N 2.84Å; V116-A119 PolarHBondContact O-N 2.82Å; Y117-A119 VanDerWaalsContact C-N 3.29Å; Y117-A119 PolarHBondContact O-N 3.46Å; A119-V121 VanDerWaalsContact C-N 3.34Å; A119-V121 PolarHBondContact O-N 3.42Å; A119-A122 PolarHBondContact O-N 3.13Å; A119-C123 WeakPolarHBondContact O-CB 3.06Å; A119-C123 PolarHBondContact O-N 3.13Å; A119-C123 PolarHBondContact O-SG 3.35Å
120I97.9Very high96.4Very high4 Ų453.2 Ų53.22%0.02130%0.296CS..Hα-helixtrans-62-43.6174.5-66.7164.4000110.5V116 Y117 C123 N124 L176 F192 F196V116-I120 HydrophobicContact CG1-CD1 4.24Å; V116-I120 WeakPolarHBondContact O-CG1 3.33Å; V116-I120 PolarHBondContact O-N 3.48Å; Y117-I120 WeakPolarHBondContact O-CB 3.42Å; Y117-I120 PolarHBondContact O-N 3.39Å; Y117-I120 VanDerWaalsContact O-N 3.09Å; I120-C123 PolarHBondContact O-N 3.33Å; I120-N124 WeakPolarHBondContact O-CB 3.35Å; I120-N124 PolarHBondContact O-N 3.07Å; I120-N124 PolarHBondContact O-ND2 3.16Å; I120-L176 HydrophobicContact CB-CD2 4.47Å; I120-L176 HydrophobicContact CD1-CD2 4.31Å; I120-L176 HydrophobicContact CG2-CD2 3.85Å; I120-F192 HydrophobicContact CD1-CE1 4.21Å; I120-F196 HydrophobicContact CD1-CD1 3.88Å; I120-F196 HydrophobicContact CD1-CE1 3.96Å; I120-F196 HydrophobicContact CD1-CG 4.38Å; I120-F196 HydrophobicContact CG1-CE1 4.28Å; I120-F196 HydrophobicContact CG2-CE1 4Å; I120-F196 HydrophobicContact CG2-CZ 3.9Å
121V98.3Very high96.5Very high15 Ų1549.3 Ų49.39%0.09127%0.271CS..Hα-helixtrans-59.4-50.7175.8173.80000110.7Y117 W118 A119 C123 N124 I125 M173Y117-V121 HydrophobicContact CD1-CG2 4.2Å; Y117-V121 HydrophobicContact CD2-CG2 4.28Å; Y117-V121 HydrophobicContact CE1-CG2 3.63Å; Y117-V121 HydrophobicContact CE2-CG2 3.73Å; Y117-V121 HydrophobicContact CG-CG2 4.49Å; Y117-V121 WeakPolarHBondContact O-CG2 3.23Å; Y117-V121 PolarHBondContact O-N 3.17Å; W118-V121 HydrophobicContact CE3-CB 4.38Å; W118-V121 HydrophobicContact CE3-CG1 4.44Å; W118-V121 HydrophobicContact CE3-CG2 4.39Å; W118-V121 PolarHBondContact O-N 2.63Å; A119-V121 VanDerWaalsContact C-N 3.34Å; A119-V121 PolarHBondContact O-N 3.42Å; V121-C123 PolarHBondContact O-N 3.43Å; V121-N124 PolarHBondContact O-N 2.89Å; V121-I125 HydrophobicContact CG1-CD1 3.69Å; V121-I125 HydrophobicContact CG1-CG1 4.35Å; V121-I125 WeakPolarHBondContact O-CG1 3.13Å; V121-I125 PolarHBondContact O-N 3.45Å; V121-M173 HydrophobicContact CB-SD 4.15Å; V121-M173 HydrophobicContact CG2-CB 4.23Å; V121-M173 HydrophobicContact CG2-CG 4.12Å; V121-M173 HydrophobicContact CG2-SD 3.63Å
122A97.6Very high96.6Very high48 Ų4851 Ų5140%0.39728%0.28SS..Hα-helixtrans-58.9-47.6179.400000111.8W118 A119 N124 I125 L126W118-A122 WeakPolarHBondContact O-CB 3.39Å; W118-A122 PolarHBondContact O-N 3.16Å; A119-A122 PolarHBondContact O-N 3.13Å; A122-N124 VanDerWaalsContact C-N 3.31Å; A122-N124 PolarHBondContact O-N 3.13Å; A122-I125 PolarHBondContact O-N 2.69Å; A122-L126 WeakPolarHBondContact O-CB 3.45Å; A122-L126 VanDerWaalsContact O-CG 3.28Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 3.16Å
123C97.7Very high96.7Very high58 Ų5846.4 Ų46.439%0.39227%0.265SS..Hα-helixtrans-57.2-44.7175.5-73.40000111.9A119 I120 V121 L126 V127 F161A119-C123 WeakPolarHBondContact O-CB 3.06Å; A119-C123 PolarHBondContact O-N 3.13Å; A119-C123 PolarHBondContact O-SG 3.35Å; I120-C123 PolarHBondContact O-N 3.33Å; V121-C123 PolarHBondContact O-N 3.43Å; C123-L126 PolarHBondContact O-N 2.86Å; C123-V127 VanDerWaalsContact O-CG2 3.28Å; C123-V127 WeakPolarHBondContact O-CG2 3.48Å; C123-V127 PolarHBondContact O-N 2.88Å; C123-F161 HydrophobicContact CB-CD1 3.81Å; C123-F161 HydrophobicContact CB-CE1 4.13Å
124N98.4Very high96.7Very high0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-66.2-39.6178.7-87-81.6000113I120 V121 A122 F128 F161 H163 L169 M173I120-N124 WeakPolarHBondContact O-CB 3.35Å; I120-N124 PolarHBondContact O-N 3.07Å; I120-N124 PolarHBondContact O-ND2 3.16Å; V121-N124 PolarHBondContact O-N 2.89Å; A122-N124 VanDerWaalsContact C-N 3.31Å; A122-N124 PolarHBondContact O-N 3.13Å; N124-F128 WeakPolarHBondContact O-CB 3.45Å; N124-F128 PolarHBondContact O-N 3.33Å; N124-F161 WeakPolarHBondContact OD1-CA 3.28Å; N124-F161 PolarHBondContact OD1-O 3.42Å; N124-F161 VanDerWaalsContact OD1-O 3.04Å; N124-H163 PolarHBondContact OD1-CE1 2.77Å; N124-H163 PolarHBondContact OD1-ND1 2.97Å; N124-H163 VanDerWaalsContact OD1-ND1 3.08Å; N124-L169 HydrophobicContact CB-CD1 3.7Å; N124-M173 HydrophobicContact CB-CE 4.37Å; N124-M173 HydrophobicContact CB-SD 4.2Å
125I98.2Very high96.6Very high73 Ų7355.8 Ų55.837%0.37430%0.297SS..Hα-helixtrans-63.8-46.9174.8-70.4170.4000110.1V121 A122 V127 F128 L129 L169V121-I125 HydrophobicContact CG1-CD1 3.69Å; V121-I125 HydrophobicContact CG1-CG1 4.35Å; V121-I125 WeakPolarHBondContact O-CG1 3.13Å; V121-I125 PolarHBondContact O-N 3.45Å; A122-I125 PolarHBondContact O-N 2.69Å; I125-V127 PolarHBondContact O-N 3.4Å; I125-F128 WeakPolarHBondContact O-CB 3.24Å; I125-F128 PolarHBondContact O-N 2.99Å; I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 HydrophobicContact CG2-CG 4.3Å; I125-L129 WeakPolarHBondContact O-CG 3.19Å; I125-L129 PolarHBondContact O-N 2.98Å; I125-L169 HydrophobicContact CG1-CD2 4.18Å
126L97.5Very high96.4Very high120 Ų12055.3 Ų55.363%0.62830%0.295SS*.Hα-helixtrans-60.1-46179.6-72172.8000111.8A122 C123 L129 G130A122-L126 WeakPolarHBondContact O-CB 3.45Å; A122-L126 VanDerWaalsContact O-CG 3.28Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 3.16Å; C123-L126 PolarHBondContact O-N 2.86Å; L126-L129 PolarHBondContact O-N 2.8Å; L126-G130 PolarHBondContact O-N 3.44Å
127V97.4Very high96.1Very high21 Ų2157.9 Ų57.913%0.12732%0.315CS..Hα-helixtrans-65-40.3176.2171.60000111.1C123 I125 G130 L131 F143 F161C123-V127 VanDerWaalsContact O-CG2 3.28Å; C123-V127 WeakPolarHBondContact O-CG2 3.48Å; C123-V127 PolarHBondContact O-N 2.88Å; I125-V127 PolarHBondContact O-N 3.4Å; V127-G130 PolarHBondContact O-N 2.95Å; V127-L131 HydrophobicContact CG1-CD1 3.81Å; V127-L131 HydrophobicContact CG1-CG 4.31Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 WeakPolarHBondContact O-CG 3.47Å; V127-L131 PolarHBondContact O-N 3.33Å; V127-F143 HydrophobicContact CB-CD1 4.43Å; V127-F143 HydrophobicContact CB-CE1 4.16Å; V127-F143 HydrophobicContact CG1-CD1 3.37Å; V127-F143 HydrophobicContact CG1-CE1 3.55Å; V127-F143 HydrophobicContact CG1-CG 3.95Å; V127-F143 HydrophobicContact CG1-CZ 4.26Å; V127-F143 HydrophobicContact CG2-CD1 4.16Å; V127-F143 HydrophobicContact CG2-CE1 3.42Å; V127-F143 VanDerWaalsContact CG2-CE1 3.42Å; V127-F143 HydrophobicContact CG2-CZ 3.78Å; V127-F161 VanDerWaalsContact CB-O 3.23Å; V127-F161 WeakPolarHBondContact CB-O 3.32Å; V127-F161 WeakPolarHBondContact CG1-O 3.38Å; V127-F161 HydrophobicContact CG2-CB 4.16Å
128F97.4Very high95.8Very high28 Ų2861.8 Ų61.812%0.12334%0.34CS..Hα-helixtrans-61.1-47176.2-178.5-97000111.9N124 I125 L131 N132 H163 S165 L166 L169N124-F128 WeakPolarHBondContact O-CB 3.45Å; N124-F128 PolarHBondContact O-N 3.33Å; I125-F128 WeakPolarHBondContact O-CB 3.24Å; I125-F128 PolarHBondContact O-N 2.99Å; F128-L131 PolarHBondContact O-N 3.21Å; F128-N132 WeakPolarHBondContact CE2-ND2 3.45Å; F128-N132 WeakPolarHBondContact CZ-ND2 3.48Å; F128-N132 PolarHBondContact O-N 3.28Å; F128-N132 VanDerWaalsContact O-N 3.13Å; F128-N132 PolarHBondContact O-ND2 3.04Å; F128-H163 HydrophobicContact CD2-CB 4.07Å; F128-H163 VanDerWaalsContact CD2-O 3.3Å; F128-H163 WeakPolarHBondContact CD2-O 3.32Å; F128-S165 VanDerWaalsContact CE2-C 3.49Å; F128-L166 HydrophobicContact CE1-CD1 4.34Å; F128-L166 HydrophobicContact CZ-CB 4.22Å; F128-L169 HydrophobicContact CB-CD2 4.07Å; F128-L169 HydrophobicContact CD1-CD2 4.32Å; F128-L169 HydrophobicContact CD2-CD2 4.45Å; F128-L169 HydrophobicContact CG-CD2 4.02Å
129L97.4Very high95.6Very high104 Ų10457.8 Ų57.855%0.54533%0.328SS..Hα-helixtrans-62.6-44.7175.7-67.6176000111.1I125 L126 L131 N132 S133I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 HydrophobicContact CG2-CG 4.3Å; I125-L129 WeakPolarHBondContact O-CG 3.19Å; I125-L129 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 2.8Å; L129-L131 PolarHBondContact O-N 3.05Å; L129-N132 CarbonylContact O-C 3.5Å; L129-N132 PolarHBondContact O-N 3.09Å; L129-N132 VanDerWaalsContact O-N 3.17Å; L129-S133 WeakPolarHBondContact O-CB 3.27Å; L129-S133 PolarHBondContact O-N 3.37Å; L129-S133 VanDerWaalsContact O-N 3.09Å
130G96.5Very high95.4Very high13 Ų1355.7 Ų55.713%0.13431%0.309CS..Hα-helixtrans-56.5-48.517600000112.6L126 V127 N132 S133 L139L126-G130 PolarHBondContact O-N 3.44Å; V127-G130 PolarHBondContact O-N 2.95Å; G130-N132 VanDerWaalsContact C-N 3.26Å; G130-N132 PolarHBondContact O-N 3.41Å; G130-S133 PolarHBondContact O-N 3.15Å; G130-S133 VanDerWaalsContact O-N 3.13Å; G130-S133 PolarHBondContact O-OG 3.17Å; G130-L139 VanDerWaalsContact C-CD1 3.42Å
131L94.8Very high95.1Very high9 Ų956.9 Ų56.95%0.04732%0.318CS..Hα-helixtrans-67.2-23.7179.1-73.3170.7000113.8V127 F128 L129 S136 L139 L140 F143V127-L131 HydrophobicContact CG1-CD1 3.81Å; V127-L131 HydrophobicContact CG1-CG 4.31Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 WeakPolarHBondContact O-CG 3.47Å; V127-L131 PolarHBondContact O-N 3.33Å; F128-L131 PolarHBondContact O-N 3.21Å; L129-L131 PolarHBondContact O-N 3.05Å; L131-S136 WeakPolarHBondContact O-CB 3.24Å; L131-S136 PolarHBondContact O-OG 3.48Å; L131-L139 HydrophobicContact CD2-CB 3.67Å; L131-L139 HydrophobicContact CG-CB 4.4Å; L131-L140 HydrophobicContact CD2-CB 4.36Å; L131-L140 HydrophobicContact CD2-CD1 4.05Å; L131-F143 HydrophobicContact CD1-CB 4.24Å; L131-F143 HydrophobicContact CD2-CB 4.37Å
132N94.6Very high94.8Very high94 Ų9461 Ų6150%0.50333%0.332SS..THydrogen-bonded Turntrans-95.46.1175.3-72-75.1000113.5F128 L129 G130F128-N132 WeakPolarHBondContact CE2-ND2 3.45Å; F128-N132 WeakPolarHBondContact CZ-ND2 3.48Å; F128-N132 PolarHBondContact O-N 3.28Å; F128-N132 VanDerWaalsContact O-N 3.13Å; F128-N132 PolarHBondContact O-ND2 3.04Å; L129-N132 CarbonylContact O-C 3.5Å; L129-N132 PolarHBondContact O-N 3.09Å; L129-N132 VanDerWaalsContact O-N 3.17Å; G130-N132 VanDerWaalsContact C-N 3.26Å; G130-N132 PolarHBondContact O-N 3.41Å
133S94.4Very high94.7Very high41 Ų4160 Ų6029%0.28732%0.319SS..SBendtrans-106.2-173.4177.978.30000112.3L129 G130 F135 S136L129-S133 WeakPolarHBondContact O-CB 3.27Å; L129-S133 PolarHBondContact O-N 3.37Å; L129-S133 VanDerWaalsContact O-N 3.09Å; G130-S133 PolarHBondContact O-N 3.15Å; G130-S133 VanDerWaalsContact O-N 3.13Å; G130-S133 PolarHBondContact O-OG 3.17Å; S133-F135 PolarHBondContact O-N 3.22Å; S133-F135 VanDerWaalsContact O-N 3.16Å; S133-F135 VanDerWaalsContact OG-CD2 3.23Å; S133-F135 WeakPolarHBondContact OG-CD2 3.18Å; S133-F135 PolarHBondContact OG-N 2.68Å; S133-F135 VanDerWaalsContact OG-N 3.13Å; S133-S136 WeakPolarHBondContact O-CB 3.34Å; S133-S136 PolarHBondContact O-N 3.5Å; S133-S136 VanDerWaalsContact O-N 3.13Å
134K93.5Very high94.4Very high181 Ų18157.7 Ų57.779%0.78730%0.303SS*.THydrogen-bonded Turntrans-57.8-21.9170.565.5-178.2179.7-178.40113.9S136K134-S136 PolarHBondContact O-N 3.45Å
135F92.7Very high94Very high114 Ų11457.7 Ų57.750%0.530%0.303SS..THydrogen-bonded Turntrans-78.2-1.7178.5-54.7-63.6000113.7S133 S137 T138 L139S133-F135 PolarHBondContact O-N 3.22Å; S133-F135 VanDerWaalsContact O-N 3.16Å; S133-F135 VanDerWaalsContact OG-CD2 3.23Å; S133-F135 WeakPolarHBondContact OG-CD2 3.18Å; S133-F135 PolarHBondContact OG-N 2.68Å; S133-F135 VanDerWaalsContact OG-N 3.13Å; F135-S137 VanDerWaalsContact C-N 3.32Å; F135-S137 PolarHBondContact O-N 2.83Å; F135-T138 PolarHBondContact O-N 2.86Å; F135-L139 HydrophobicContact CB-CD1 4Å; F135-L139 HydrophobicContact CB-CG 4.37Å; F135-L139 WeakPolarHBondContact O-CG 3.04Å; F135-L139 PolarHBondContact O-N 3.45Å
136S92.4Very high93.5Very high4 Ų454.4 Ų54.43%0.02829%0.287CS..Hα-helixtrans-50.7-49.1-178.6-164.80000112.5L131 S133 K134 T138 L139 L140L131-S136 WeakPolarHBondContact O-CB 3.24Å; L131-S136 PolarHBondContact O-OG 3.48Å; S133-S136 WeakPolarHBondContact O-CB 3.34Å; S133-S136 PolarHBondContact O-N 3.5Å; S133-S136 VanDerWaalsContact O-N 3.13Å; K134-S136 PolarHBondContact O-N 3.45Å; S136-T138 PolarHBondContact O-N 3.12Å; S136-L139 PolarHBondContact O-N 3.41Å; S136-L140 WeakPolarHBondContact O-CB 3.46Å; S136-L140 PolarHBondContact O-N 3.02Å
137S89.6Confident93Very high93 Ų9349.2 Ų49.265%0.6526%0.26SS*.Hα-helixtrans-61.5-30.5-178.5-56.20000113.3F135 P141F135-S137 VanDerWaalsContact C-N 3.32Å; F135-S137 PolarHBondContact O-N 2.83Å; S137-P141 VanDerWaalsContact O-CD 3.26Å; S137-P141 WeakPolarHBondContact O-CD 3.26Å
138T92Very high92.5Very high96 Ų9651.5 Ų51.559%0.58927%0.267SS*.Hα-helixtrans-80.5-39177.9-50.70000111.7F135 S136 Y142F135-T138 PolarHBondContact O-N 2.86Å; S136-T138 PolarHBondContact O-N 3.12Å; T138-Y142 WeakPolarHBondContact O-CD2 3.46Å; T138-Y142 VanDerWaalsContact O-CE2 3.27Å; T138-Y142 WeakPolarHBondContact O-CE2 3.46Å
139L93Very high91.9Very high45 Ų4550.9 Ų50.924%0.23627%0.269CS..Hα-helixtrans-83.3-37.8-174.6-66.9171.7000112.9G130 L131 F135 S136 P141 Y142 F143G130-L139 VanDerWaalsContact C-CD1 3.42Å; L131-L139 HydrophobicContact CD2-CB 3.67Å; L131-L139 HydrophobicContact CG-CB 4.4Å; F135-L139 HydrophobicContact CB-CD1 4Å; F135-L139 HydrophobicContact CB-CG 4.37Å; F135-L139 WeakPolarHBondContact O-CG 3.04Å; F135-L139 PolarHBondContact O-N 3.45Å; S136-L139 PolarHBondContact O-N 3.41Å; L139-P141 VanDerWaalsContact C-CD 3.43Å; L139-Y142 PolarHBondContact O-N 2.88Å; L139-F143 HydrophobicContact CB-CD2 4.12Å; L139-F143 HydrophobicContact CD2-CD2 4.2Å; L139-F143 HydrophobicContact CD2-CE2 3.85Å; L139-F143 WeakPolarHBondContact O-CD2 3.11Å; L139-F143 PolarHBondContact O-N 2.85Å
140L91.3Very high91.5Very high8 Ų848.8 Ų48.84%0.04226%0.262CS..Hα-helixtrans-54-41.4-173.7-161.572.9000114.2F8 I12 I15 L131 S136 Y142 C144F8-L140 HydrophobicContact CE2-CD1 3.62Å; F8-L140 HydrophobicContact CZ-CD1 3.78Å; I12-L140 HydrophobicContact CD1-CD1 4.23Å; I12-L140 HydrophobicContact CD1-CD2 4.22Å; I12-L140 HydrophobicContact CD1-CG 4.26Å; I12-L140 HydrophobicContact CG1-CD1 4.41Å; I12-L140 HydrophobicContact CG1-CD2 3.54Å; I12-L140 HydrophobicContact CG1-CG 4.09Å; I15-L140 HydrophobicContact CD1-CD2 3.98Å; L131-L140 HydrophobicContact CD2-CB 4.36Å; L131-L140 HydrophobicContact CD2-CD1 4.05Å; S136-L140 WeakPolarHBondContact O-CB 3.46Å; S136-L140 PolarHBondContact O-N 3.02Å; L140-Y142 PolarHBondContact O-N 3.47Å; L140-C144 WeakPolarHBondContact CD1-SG 3.47Å; L140-C144 WeakPolarHBondContact O-CB 3.19Å; L140-C144 PolarHBondContact O-N 3.08Å; L140-C144 PolarHBondContact O-SG 3.42Å
141P91.6Very high91.2Very high30 Ų3049.6 Ų49.620%0.19526%0.264CS..Hα-helixtrans-50.3-38.2173-3441.2000114.9S137 L139 P150 T151S137-P141 VanDerWaalsContact O-CD 3.26Å; S137-P141 WeakPolarHBondContact O-CD 3.26Å; L139-P141 VanDerWaalsContact C-CD 3.43Å; P141-P150 HydrophobicContact CB-CG 3.61Å; P141-P150 HydrophobicContact CG-CG 4.47Å; P141-T151 PolarHBondContact O-OG1 3.36Å
142Y93.5Very high90.9Very high101 Ų10150.1 Ų50.140%0.39627%0.268SS..Hα-helixtrans-93.7-35.6-172.5-57.2-76.6000112.8T138 L139 L140 T151 L154 S155 L158T138-Y142 WeakPolarHBondContact O-CD2 3.46Å; T138-Y142 VanDerWaalsContact O-CE2 3.27Å; T138-Y142 WeakPolarHBondContact O-CE2 3.46Å; L139-Y142 PolarHBondContact O-N 2.88Å; L140-Y142 PolarHBondContact O-N 3.47Å; Y142-T151 HydrophobicContact CD1-CG2 3.77Å; Y142-T151 HydrophobicContact CE1-CG2 3.65Å; Y142-L154 HydrophobicContact CD1-CD2 3.71Å; Y142-L154 HydrophobicContact CE1-CD2 4.29Å; Y142-S155 VanDerWaalsContact O-CA 3.23Å; Y142-S155 WeakPolarHBondContact O-CA 3.42Å; Y142-S155 VanDerWaalsContact O-CB 3.29Å; Y142-S155 WeakPolarHBondContact O-CB 3.48Å; Y142-L158 WeakPolarHBondContact O-CB 3.18Å
143F95Very high90.9Very high26 Ų2646.9 Ų46.911%0.11425%0.252CS..Hα-helixtrans-93.15-173.4-77.7-87.3000114V127 L131 L139 L158 F161 S162V127-F143 HydrophobicContact CB-CD1 4.43Å; V127-F143 HydrophobicContact CB-CE1 4.16Å; V127-F143 HydrophobicContact CG1-CD1 3.37Å; V127-F143 HydrophobicContact CG1-CE1 3.55Å; V127-F143 HydrophobicContact CG1-CG 3.95Å; V127-F143 HydrophobicContact CG1-CZ 4.26Å; V127-F143 HydrophobicContact CG2-CD1 4.16Å; V127-F143 HydrophobicContact CG2-CE1 3.42Å; V127-F143 VanDerWaalsContact CG2-CE1 3.42Å; V127-F143 HydrophobicContact CG2-CZ 3.78Å; L131-F143 HydrophobicContact CD1-CB 4.24Å; L131-F143 HydrophobicContact CD2-CB 4.37Å; L139-F143 HydrophobicContact CB-CD2 4.12Å; L139-F143 HydrophobicContact CD2-CD2 4.2Å; L139-F143 HydrophobicContact CD2-CE2 3.85Å; L139-F143 WeakPolarHBondContact O-CD2 3.11Å; L139-F143 PolarHBondContact O-N 2.85Å; F143-L158 HydrophobicContact CD1-CB 3.9Å; F143-L158 WeakPolarHBondContact CD1-O 3.44Å; F143-L158 HydrophobicContact CE1-CB 3.93Å; F143-L158 HydrophobicContact CE1-CD2 4.19Å; F143-L158 HydrophobicContact CE2-CD1 4.33Å; F143-L158 HydrophobicContact CG-CB 4.29Å; F143-L158 HydrophobicContact CZ-CB 4.34Å; F143-L158 HydrophobicContact CZ-CD1 4.37Å; F143-L158 HydrophobicContact CZ-CD2 4.13Å; F143-F161 HydrophobicContact CE1-CB 4.33Å; F143-S162 WeakPolarHBondContact O-CB 3.39Å; F143-S162 PolarHBondContact O-OG 2.96Å
144C91.4Very high90.9Very high10 Ų1048.8 Ų48.87%0.06826%0.258CS..SBendtrans-122117177.1-62.40000110.9F8 I12 L140 S146 P219F8-C144 VanDerWaalsContact CZ-SG 3.52Å; I12-C144 HydrophobicContact CD1-CB 4.47Å; L140-C144 WeakPolarHBondContact CD1-SG 3.47Å; L140-C144 WeakPolarHBondContact O-CB 3.19Å; L140-C144 PolarHBondContact O-N 3.08Å; L140-C144 PolarHBondContact O-SG 3.42Å; C144-S146 PolarHBondContact O-N 3.44Å; C144-P219 HydrophobicContact CB-CB 4.22Å
145S88.8Confident91Very high0 Ų040.2 Ų40.20%022%0.221CC..BIsolated β-bridgetrans-81.8109.4-179.8177.70000111.3K211 P219 S220S145-K211 PolarHBondContact O-NZ 3.43Å; S145-P219 CarbonylContact O-C 3.59Å; S145-P219 WeakPolarHBondContact O-CA 3.33Å; S145-S220 PolarHBondContact N-O 2.96Å; S145-S220 PolarHBondContact O-N 3.21Å
146S88.8Confident91.1Very high4 Ų434.8 Ų34.83%0.02820%0.197CC..  trans-142.3136.6171.9177.70000109.7C144 Y148 G149C144-S146 PolarHBondContact O-N 3.44Å; S146-Y148 PolarHBondContact O-N 2.92Å; S146-Y148 VanDerWaalsContact O-N 3.11Å; S146-Y148 PolarHBondContact OG-N 3.28Å; S146-G149 PolarHBondContact O-N 3.23Å
147P87Confident91.4Very high11 Ų1136.3 Ų36.37%0.07121%0.206CC..THydrogen-bonded Turntrans-63.2-16.4173.925.4-32.8000113L52 L208 K211 L212L52-P147 HydrophobicContact CD2-CB 3.82Å; L52-P147 VanDerWaalsContact CD2-O 3.27Å; L52-P147 WeakPolarHBondContact CD2-O 3.29Å; P147-L208 HydrophobicContact CB-CG 4.34Å; P147-K211 HydrophobicContact CG-CB 3.83Å; P147-L212 HydrophobicContact CB-CD2 3.53Å; P147-L212 HydrophobicContact CB-CG 3.83Å; P147-L212 HydrophobicContact CG-CD2 4.14Å; P147-L212 HydrophobicContact CG-CG 4.3Å
148Y86.7Confident91.7Very high69 Ų6934 Ų3427%0.27119%0.187SC..THydrogen-bonded Turntrans-102.55.3178.1-49.7-69.8000113L16 S146 R215 S216 T217L16-Y148 WeakPolarHBondContact CD2-O 3.33Å; S146-Y148 PolarHBondContact O-N 2.92Å; S146-Y148 VanDerWaalsContact O-N 3.11Å; S146-Y148 PolarHBondContact OG-N 3.28Å; Y148-R215 WeakPolarHBondContact OH-CA 3.41Å; Y148-S216 VanDerWaalsContact CE2-O 3.31Å; Y148-S216 WeakPolarHBondContact CE2-O 3.28Å; Y148-T217 HydrophobicContact CD2-CG2 3.84Å; Y148-T217 HydrophobicContact CE2-CG2 3.87Å
149G85.7Confident91.9Very high16 Ų1629.6 Ų29.617%0.16516%0.159CC..SBendtrans-79.3166.1172.900000111.9S146 T151S146-G149 PolarHBondContact O-N 3.23Å; G149-T151 VanDerWaalsContact C-N 3.34Å; G149-T151 PolarHBondContact O-N 2.81Å
150P87.5Confident92.1Very high59 Ų5927.5 Ų27.538%0.38315%0.149SC..SBendtrans-73.3-25-177.529.1-35.1000113.3F19 P141 P152F19-P150 HydrophobicContact CE1-CB 4.49Å; F19-P150 HydrophobicContact CE2-CB 4.29Å; F19-P150 HydrophobicContact CE2-CG 4.39Å; F19-P150 HydrophobicContact CZ-CB 3.92Å; F19-P150 HydrophobicContact CZ-CG 4.41Å; P141-P150 HydrophobicContact CB-CG 3.61Å; P141-P150 HydrophobicContact CG-CG 4.47Å; P150-P152 VanDerWaalsContact C-CD 3.47Å; P150-P152 WeakPolarHBondContact O-CD 3.41Å
151T89.8Confident92.4Very high31 Ų3128.7 Ų28.719%0.1915%0.153CC..  trans-128.563.2-17656.30000112.5P141 Y142 G149 V153 L154 S155P141-T151 PolarHBondContact O-OG1 3.36Å; Y142-T151 HydrophobicContact CD1-CG2 3.77Å; Y142-T151 HydrophobicContact CE1-CG2 3.65Å; G149-T151 VanDerWaalsContact C-N 3.34Å; G149-T151 PolarHBondContact O-N 2.81Å; T151-V153 VanDerWaalsContact C-N 3.26Å; T151-V153 PolarHBondContact O-N 3.46Å; T151-L154 PolarHBondContact O-N 2.8Å; T151-S155 WeakPolarHBondContact O-CB 3.48Å; T151-S155 PolarHBondContact O-N 3.26Å; T151-S155 PolarHBondContact O-OG 3.39Å
152P89.7Confident92.6Very high20 Ų2027.2 Ų27.213%0.1314%0.144CC..Hα-helixtrans-63.4-30.7-173.325.8-34.6000112.8L52 P150 S155 L156 L208L52-P152 HydrophobicContact CD1-CB 3.83Å; L52-P152 HydrophobicContact CD1-CG 3.47Å; L52-P152 VanDerWaalsContact CD1-CG 3.47Å; L52-P152 HydrophobicContact CD2-CB 4.37Å; L52-P152 HydrophobicContact CD2-CG 4.49Å; P150-P152 VanDerWaalsContact C-CD 3.47Å; P150-P152 WeakPolarHBondContact O-CD 3.41Å; P152-S155 WeakPolarHBondContact CA-OG 3.46Å; P152-S155 PolarHBondContact O-OG 3.05Å; P152-S155 VanDerWaalsContact O-OG 3.05Å; P152-L156 WeakPolarHBondContact O-CG 3.24Å; P152-L208 HydrophobicContact CB-CD1 4.32Å
153V94.2Very high92.7Very high26 Ų2622.6 Ų22.616%0.15813%0.126CC..Hα-helixtrans-74-52.2177.8178.60000111.5K55 F59 T151 S155 L156K55-V153 HydrophobicContact CD-CG2 4.03Å; K55-V153 HydrophobicContact CG-CG2 4.02Å; F59-V153 HydrophobicContact CB-CG1 3.74Å; F59-V153 HydrophobicContact CD1-CG1 3.71Å; F59-V153 HydrophobicContact CD2-CG1 3.34Å; F59-V153 HydrophobicContact CE1-CG1 4.11Å; F59-V153 HydrophobicContact CE2-CG1 3.78Å; F59-V153 HydrophobicContact CG-CG1 3.28Å; F59-V153 HydrophobicContact CZ-CG1 4.14Å; T151-V153 VanDerWaalsContact C-N 3.26Å; T151-V153 PolarHBondContact O-N 3.46Å; V153-S155 VanDerWaalsContact C-N 3.26Å; V153-S155 PolarHBondContact O-N 3.14Å; V153-L156 VanDerWaalsContact O-CB 3.3Å; V153-L156 WeakPolarHBondContact O-CB 3.42Å; V153-L156 WeakPolarHBondContact O-CG 3.43Å; V153-L156 PolarHBondContact O-N 3.25Å; V153-L156 VanDerWaalsContact O-N 3.12Å
154L94.4Very high92.5Very high81 Ų8123.3 Ų23.342%0.42413%0.129SC..Hα-helixtrans-65.4-34.1-177.1-164.468.2000111.8Y142 T151 L156 V157 L158Y142-L154 HydrophobicContact CD1-CD2 3.71Å; Y142-L154 HydrophobicContact CE1-CD2 4.29Å; T151-L154 PolarHBondContact O-N 2.8Å; L154-L156 PolarHBondContact O-N 3.2Å; L154-V157 PolarHBondContact O-N 2.95Å; L154-V157 VanDerWaalsContact O-N 3.12Å; L154-L158 HydrophobicContact CD1-CD1 4.49Å; L154-L158 HydrophobicContact CD2-CD1 3.63Å; L154-L158 HydrophobicContact CG-CD1 3.64Å; L154-L158 HydrophobicContact CG-CG 4.15Å; L154-L158 PolarHBondContact O-N 3.36Å; L154-L158 VanDerWaalsContact O-N 3.09Å
155S94.9Very high92.6Very high1 Ų123.8 Ų23.81%0.00713%0.133CC..Hα-helixtrans-64.3-19.7176.864.40000113.8Y142 T151 P152 V153 V157 S159Y142-S155 VanDerWaalsContact O-CA 3.23Å; Y142-S155 WeakPolarHBondContact O-CA 3.42Å; Y142-S155 VanDerWaalsContact O-CB 3.29Å; Y142-S155 WeakPolarHBondContact O-CB 3.48Å; T151-S155 WeakPolarHBondContact O-CB 3.48Å; T151-S155 PolarHBondContact O-N 3.26Å; T151-S155 PolarHBondContact O-OG 3.39Å; P152-S155 WeakPolarHBondContact CA-OG 3.46Å; P152-S155 PolarHBondContact O-OG 3.05Å; P152-S155 VanDerWaalsContact O-OG 3.05Å; V153-S155 VanDerWaalsContact C-N 3.26Å; V153-S155 PolarHBondContact O-N 3.14Å; S155-V157 PolarHBondContact O-N 3.43Å; S155-S159 WeakPolarHBondContact O-CB 3.3Å; S155-S159 PolarHBondContact O-N 2.96Å; S155-S159 PolarHBondContact O-OG 3.02Å
156L96.3Very high92.9Very high0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-61.3-28.3173-61.8175.5000112.9C56 F59 P152 V153 L154 L160 I201 S204 L208C56-L156 HydrophobicContact CB-CD1 3.95Å; F59-L156 HydrophobicContact CD1-CD1 3.8Å; F59-L156 HydrophobicContact CE1-CB 4.32Å; F59-L156 HydrophobicContact CE1-CD1 4.32Å; P152-L156 WeakPolarHBondContact O-CG 3.24Å; V153-L156 VanDerWaalsContact O-CB 3.3Å; V153-L156 WeakPolarHBondContact O-CB 3.42Å; V153-L156 WeakPolarHBondContact O-CG 3.43Å; V153-L156 PolarHBondContact O-N 3.25Å; V153-L156 VanDerWaalsContact O-N 3.12Å; L154-L156 PolarHBondContact O-N 3.2Å; L156-L160 WeakPolarHBondContact O-CD1 3.28Å; L156-I201 HydrophobicContact CB-CG2 4.34Å; L156-S204 WeakPolarHBondContact O-CB 3.49Å; L156-S204 PolarHBondContact O-OG 3.38Å; L156-L208 HydrophobicContact CD2-CD1 4.3Å
157V97.1Very high93.2Very high36 Ų3636.3 Ų36.322%0.21819%0.192CC..Hα-helixtrans-97.5-48.8178.3-171.70000110.1F59 L154 S155 S159 L160 I201F59-V157 HydrophobicContact CE1-CG2 3.73Å; F59-V157 HydrophobicContact CZ-CG2 3.67Å; L154-V157 PolarHBondContact O-N 2.95Å; L154-V157 VanDerWaalsContact O-N 3.12Å; S155-V157 PolarHBondContact O-N 3.43Å; V157-S159 VanDerWaalsContact C-N 3.32Å; V157-S159 PolarHBondContact O-N 2.94Å; V157-L160 WeakPolarHBondContact O-CB 3.21Å; V157-L160 WeakPolarHBondContact O-CD1 3.5Å; V157-L160 PolarHBondContact O-N 3.17Å; V157-I201 HydrophobicContact CB-CG1 4.46Å; V157-I201 HydrophobicContact CG1-CD1 4.48Å; V157-I201 HydrophobicContact CG2-CD1 3.88Å; V157-I201 HydrophobicContact CG2-CG1 3.95Å
158L96.9Very high93.5Very high45 Ų4537.5 Ų37.524%0.23620%0.196CC..Hα-helixtrans-71.7-27.4-171.1-65.7-179.1000112.6Y142 F143 L154 L160 F161Y142-L158 WeakPolarHBondContact O-CB 3.18Å; F143-L158 HydrophobicContact CD1-CB 3.9Å; F143-L158 WeakPolarHBondContact CD1-O 3.44Å; F143-L158 HydrophobicContact CE1-CB 3.93Å; F143-L158 HydrophobicContact CE1-CD2 4.19Å; F143-L158 HydrophobicContact CE2-CD1 4.33Å; F143-L158 HydrophobicContact CG-CB 4.29Å; F143-L158 HydrophobicContact CZ-CB 4.34Å; F143-L158 HydrophobicContact CZ-CD1 4.37Å; F143-L158 HydrophobicContact CZ-CD2 4.13Å; L154-L158 HydrophobicContact CD1-CD1 4.49Å; L154-L158 HydrophobicContact CD2-CD1 3.63Å; L154-L158 HydrophobicContact CG-CD1 3.64Å; L154-L158 HydrophobicContact CG-CG 4.15Å; L154-L158 PolarHBondContact O-N 3.36Å; L154-L158 VanDerWaalsContact O-N 3.09Å; L158-L160 PolarHBondContact O-N 3.21Å; L158-L160 VanDerWaalsContact O-N 3.16Å; L158-F161 PolarHBondContact O-N 3.33Å; L158-F161 VanDerWaalsContact O-N 3.07Å
159S96.3Very high94Very high2 Ų234.6 Ų34.61%0.01419%0.186CC..G310 helixtrans-65.8-16.3177.771.70000113.9S155 V157 F161 S162 G222S155-S159 WeakPolarHBondContact O-CB 3.3Å; S155-S159 PolarHBondContact O-N 2.96Å; S155-S159 PolarHBondContact O-OG 3.02Å; V157-S159 VanDerWaalsContact C-N 3.32Å; V157-S159 PolarHBondContact O-N 2.94Å; S159-F161 PolarHBondContact O-N 3.45Å; S159-S162 WeakPolarHBondContact CA-OG 3.34Å; S159-S162 PolarHBondContact O-OG 3.27Å; S159-G222 PolarHBondContact O-N 3.4Å
160L97.2Very high94.6Very high2 Ų235.8 Ų35.81%0.0120%0.197CC..G310 helixtrans-63.8-23.7173.3-79.660.5000112L156 V157 L158 I197 A223L156-L160 WeakPolarHBondContact O-CD1 3.28Å; V157-L160 WeakPolarHBondContact O-CB 3.21Å; V157-L160 WeakPolarHBondContact O-CD1 3.5Å; V157-L160 PolarHBondContact O-N 3.17Å; L158-L160 PolarHBondContact O-N 3.21Å; L158-L160 VanDerWaalsContact O-N 3.16Å; L160-I197 HydrophobicContact CD2-CD1 4.25Å; L160-A223 WeakPolarHBondContact O-CA 3.46Å; L160-A223 WeakPolarHBondContact O-CB 3.49Å; L160-A223 PolarHBondContact O-N 3.09Å
161F97.6Very high95Very high32 Ų3236.7 Ų36.714%0.1420%0.199CC..G310 helixtrans-104.25.9-173.5-62.1-83.2000113.7C123 N124 V127 F143 L158 S159 I197C123-F161 HydrophobicContact CB-CD1 3.81Å; C123-F161 HydrophobicContact CB-CE1 4.13Å; N124-F161 WeakPolarHBondContact OD1-CA 3.28Å; N124-F161 PolarHBondContact OD1-O 3.42Å; N124-F161 VanDerWaalsContact OD1-O 3.04Å; V127-F161 VanDerWaalsContact CB-O 3.23Å; V127-F161 WeakPolarHBondContact CB-O 3.32Å; V127-F161 WeakPolarHBondContact CG1-O 3.38Å; V127-F161 HydrophobicContact CG2-CB 4.16Å; F143-F161 HydrophobicContact CE1-CB 4.33Å; L158-F161 PolarHBondContact O-N 3.33Å; L158-F161 VanDerWaalsContact O-N 3.07Å; S159-F161 PolarHBondContact O-N 3.45Å; F161-I197 HydrophobicContact CE2-CD1 4.16Å; F161-I197 HydrophobicContact CZ-CD1 3.7Å
162S95.9Very high95.3Very high0 Ų035.6 Ų35.60%019%0.191CC..  trans-116.9142.4-174.154.90000113F143 S159 L221 G222F143-S162 WeakPolarHBondContact O-CB 3.39Å; F143-S162 PolarHBondContact O-OG 2.96Å; S159-S162 WeakPolarHBondContact CA-OG 3.34Å; S159-S162 PolarHBondContact O-OG 3.27Å; S162-L221 VanDerWaalsContact O-CD1 3.28Å; S162-L221 WeakPolarHBondContact O-CD1 3.21Å; S162-L221 VanDerWaalsContact OG-CB 3.28Å; S162-L221 WeakPolarHBondContact OG-CB 3.14Å; S162-G222 WeakPolarHBondContact O-CA 3.38Å; S162-G222 PolarHBondContact O-N 3Å
163H95.3Very high95.7Very high3 Ų335.2 Ų35.21%0.01419%0.188CC..  trans-135.7137.5-176-69.480.6000111.1N124 F128 H168 L169 N172 L221 A223N124-H163 PolarHBondContact OD1-CE1 2.77Å; N124-H163 PolarHBondContact OD1-ND1 2.97Å; N124-H163 VanDerWaalsContact OD1-ND1 3.08Å; F128-H163 HydrophobicContact CD2-CB 4.07Å; F128-H163 VanDerWaalsContact CD2-O 3.3Å; F128-H163 WeakPolarHBondContact CD2-O 3.32Å; H163-H168 AromaticContact CD2-CE1 3.7Å; H163-H168 AromaticContact CD2-CG 3.77Å; H163-H168 AromaticContact CD2-ND1 3.4Å; H163-H168 PolarHBondContact CD2-ND1 3.24Å; H163-L169 HydrophobicContact CB-CB 3.87Å; H163-L169 VanDerWaalsContact CD2-CA 3.46Å; H163-L169 WeakPolarHBondContact CD2-CA 3.11Å; H163-N172 WeakPolarHBondContact NE2-CB 3.12Å; H163-N172 VanDerWaalsContact NE2-CG 3.34Å; H163-N172 PolarHBondContact NE2-ND2 2.87Å; H163-L221 VanDerWaalsContact CA-CD1 3.45Å; H163-A223 PolarHBondContact NE2-N 3.16Å
164K90.4Very high95.8Very high41 Ų4138.4 Ų38.418%0.17820%0.198CC..SBendtrans-78.5-21.3-177.266.8-174.2177.4-165.40114.5C5 H168 L221 A281C5-K164 PolarHBondContact SG-NZ 2.99Å; K164-H168 HydrophobicContact CG-CB 4.35Å; K164-L221 HydrophobicContact CB-CD1 3.98Å; K164-L221 HydrophobicContact CG-CD1 4.5Å; K164-A281 PolarHBondContact NZ-O 3.46Å
165S94.1Very high95.9Very high21 Ų2136.3 Ų36.315%0.14719%0.189CC..SBendtrans-152.6158.2-178.364.90000110.5F128 F167 H168 L169F128-S165 VanDerWaalsContact CE2-C 3.49Å; S165-F167 VanDerWaalsContact C-N 3.28Å; S165-F167 PolarHBondContact O-N 3.24Å; S165-H168 WeakPolarHBondContact O-CB 3.36Å; S165-H168 PolarHBondContact O-N 3.17Å; S165-H168 VanDerWaalsContact O-N 3.14Å; S165-H168 WeakPolarHBondContact OG-CB 3.47Å; S165-H168 PolarHBondContact OG-N 2.61Å; S165-L169 PolarHBondContact O-N 2.87Å
166L95.3Very high96.1Very high124 Ų12436.3 Ų36.365%0.64919%0.188SC*.Hα-helixtrans-60.5-39.4177.9-173.364.3000111.8F128 H168 L169 G170F128-L166 HydrophobicContact CE1-CD1 4.34Å; F128-L166 HydrophobicContact CZ-CB 4.22Å; L166-H168 VanDerWaalsContact C-N 3.35Å; L166-H168 PolarHBondContact O-N 2.79Å; L166-L169 HydrophobicContact CD1-CD2 4.47Å; L166-L169 WeakPolarHBondContact O-CB 3.15Å; L166-L169 PolarHBondContact O-N 2.75Å; L166-G170 PolarHBondContact O-N 3.18Å
167F94.8Very high96.1Very high143 Ų14340.1 Ų40.163%0.62721%0.206SC*.Hα-helixtrans-61.7-41174.8-177.8-102.8000112.7S165 G170 I171S165-F167 VanDerWaalsContact C-N 3.28Å; S165-F167 PolarHBondContact O-N 3.24Å; F167-G170 PolarHBondContact O-N 3.29Å; F167-I171 HydrophobicContact CD1-CD1 4.03Å; F167-I171 HydrophobicContact CD2-CD1 4.45Å; F167-I171 HydrophobicContact CE1-CD1 3.33Å; F167-I171 HydrophobicContact CE1-CG1 4.35Å; F167-I171 HydrophobicContact CE2-CD1 3.81Å; F167-I171 HydrophobicContact CE2-CG1 4.3Å; F167-I171 HydrophobicContact CZ-CD1 3.22Å; F167-I171 HydrophobicContact CZ-CG1 4.17Å; F167-I171 PolarHBondContact O-N 2.87Å
168H94.3Very high96Very high35 Ų3540.8 Ų40.816%0.16221%0.212CC..Hα-helixtrans-63.2-44.6176.1-174.5-139.9000110.6H163 K164 S165 L166 N172 L221H163-H168 AromaticContact CD2-CE1 3.7Å; H163-H168 AromaticContact CD2-CG 3.77Å; H163-H168 AromaticContact CD2-ND1 3.4Å; H163-H168 PolarHBondContact CD2-ND1 3.24Å; K164-H168 HydrophobicContact CG-CB 4.35Å; S165-H168 WeakPolarHBondContact O-CB 3.36Å; S165-H168 PolarHBondContact O-N 3.17Å; S165-H168 VanDerWaalsContact O-N 3.14Å; S165-H168 WeakPolarHBondContact OG-CB 3.47Å; S165-H168 PolarHBondContact OG-N 2.61Å; L166-H168 VanDerWaalsContact C-N 3.35Å; L166-H168 PolarHBondContact O-N 2.79Å; H168-N172 PolarHBondContact CD2-ND2 3.25Å; H168-N172 PolarHBondContact NE2-ND2 2.7Å; H168-N172 VanDerWaalsContact NE2-ND2 3.18Å; H168-N172 PolarHBondContact O-N 3.01Å; H168-N172 PolarHBondContact O-ND2 2.92Å; H168-L221 PolarHBondContact CE1-O 2.88Å
169L97.2Very high96Very high9 Ų940.2 Ų40.25%0.04721%0.208CC..Hα-helixtrans-60-49.1174.5176.660.9000111.8N124 I125 F128 H163 S165 L166 I171 N172 M173N124-L169 HydrophobicContact CB-CD1 3.7Å; I125-L169 HydrophobicContact CG1-CD2 4.18Å; F128-L169 HydrophobicContact CB-CD2 4.07Å; F128-L169 HydrophobicContact CD1-CD2 4.32Å; F128-L169 HydrophobicContact CD2-CD2 4.45Å; F128-L169 HydrophobicContact CG-CD2 4.02Å; H163-L169 HydrophobicContact CB-CB 3.87Å; H163-L169 VanDerWaalsContact CD2-CA 3.46Å; H163-L169 WeakPolarHBondContact CD2-CA 3.11Å; S165-L169 PolarHBondContact O-N 2.87Å; L166-L169 HydrophobicContact CD1-CD2 4.47Å; L166-L169 WeakPolarHBondContact O-CB 3.15Å; L166-L169 PolarHBondContact O-N 2.75Å; L169-I171 PolarHBondContact O-N 3.22Å; L169-N172 PolarHBondContact O-N 3.45Å; L169-M173 HydrophobicContact CD1-CE 4.42Å; L169-M173 HydrophobicContact CD1-CG 3.77Å; L169-M173 HydrophobicContact CD1-SD 4.38Å; L169-M173 HydrophobicContact CG-CG 4.38Å; L169-M173 WeakPolarHBondContact O-CG 3.25Å; L169-M173 PolarHBondContact O-N 3.3Å
170G97.4Very high96Very high40 Ų4040.1 Ų40.141%0.41221%0.207SC..Hα-helixtrans-58-49.7-178.300000112.8L166 F167 N172 M173 Y174L166-G170 PolarHBondContact O-N 3.18Å; F167-G170 PolarHBondContact O-N 3.29Å; G170-N172 PolarHBondContact O-N 2.88Å; G170-M173 PolarHBondContact O-N 3.33Å; G170-Y174 WeakPolarHBondContact O-CB 3.48Å; G170-Y174 PolarHBondContact O-N 2.91Å
171I95.3Very high96Very high79 Ų7943 Ų4341%0.40523%0.227SC..Hα-helixtrans-61.8-43.5177.3-73.9-177.3000111.5F167 L169 Y174 V175F167-I171 HydrophobicContact CD1-CD1 4.03Å; F167-I171 HydrophobicContact CD2-CD1 4.45Å; F167-I171 HydrophobicContact CE1-CD1 3.33Å; F167-I171 HydrophobicContact CE1-CG1 4.35Å; F167-I171 HydrophobicContact CE2-CD1 3.81Å; F167-I171 HydrophobicContact CE2-CG1 4.3Å; F167-I171 HydrophobicContact CZ-CD1 3.22Å; F167-I171 HydrophobicContact CZ-CG1 4.17Å; F167-I171 PolarHBondContact O-N 2.87Å; L169-I171 PolarHBondContact O-N 3.22Å; I171-Y174 PolarHBondContact O-N 3.43Å; I171-V175 HydrophobicContact CG2-CG2 4.1Å; I171-V175 WeakPolarHBondContact O-CB 3.28Å; I171-V175 VanDerWaalsContact O-CG2 3.26Å; I171-V175 WeakPolarHBondContact O-CG2 3.47Å; I171-V175 PolarHBondContact O-N 2.85Å
172N97.2Very high95.9Very high7 Ų743.8 Ų43.84%0.03724%0.237CC..Hα-helixtrans-62.4-48-179.9-84.5-92.2000111.2H163 H168 L169 G170 Y174 V175 L176 A223 S224 I227H163-N172 WeakPolarHBondContact NE2-CB 3.12Å; H163-N172 VanDerWaalsContact NE2-CG 3.34Å; H163-N172 PolarHBondContact NE2-ND2 2.87Å; H168-N172 PolarHBondContact CD2-ND2 3.25Å; H168-N172 PolarHBondContact NE2-ND2 2.7Å; H168-N172 VanDerWaalsContact NE2-ND2 3.18Å; H168-N172 PolarHBondContact O-N 3.01Å; H168-N172 PolarHBondContact O-ND2 2.92Å; L169-N172 PolarHBondContact O-N 3.45Å; G170-N172 PolarHBondContact O-N 2.88Å; N172-Y174 VanDerWaalsContact C-N 3.3Å; N172-Y174 PolarHBondContact O-N 3.21Å; N172-V175 PolarHBondContact O-N 3.26Å; N172-L176 VanDerWaalsContact O-CB 3.29Å; N172-L176 WeakPolarHBondContact O-CB 3.43Å; N172-L176 PolarHBondContact O-N 3.12Å; N172-A223 HydrophobicContact CB-CB 4.3Å; N172-S224 WeakPolarHBondContact OD1-CA 3.41Å; N172-S224 VanDerWaalsContact OD1-CB 3.3Å; N172-S224 WeakPolarHBondContact OD1-CB 3.46Å; N172-S224 PolarHBondContact OD1-N 2.9Å; N172-I227 HydrophobicContact CB-CD1 3.76Å; N172-I227 WeakPolarHBondContact O-CD1 3.36Å; N172-I227 WeakPolarHBondContact OD1-CD1 3.4Å
173M98.1Very high95.9Very high12 Ų1243.8 Ų43.86%0.05924%0.237CC..Hα-helixtrans-68.2-32.9-179.7-61.6-55.797.900111.8Y117 V121 N124 L169 G170 H177 A223Y117-M173 VanDerWaalsContact CE2-O 3.31Å; Y117-M173 WeakPolarHBondContact CE2-O 3.41Å; Y117-M173 PolarHBondContact OH-O 3.22Å; V121-M173 HydrophobicContact CB-SD 4.15Å; V121-M173 HydrophobicContact CG2-CB 4.23Å; V121-M173 HydrophobicContact CG2-CG 4.12Å; V121-M173 HydrophobicContact CG2-SD 3.63Å; N124-M173 HydrophobicContact CB-CE 4.37Å; N124-M173 HydrophobicContact CB-SD 4.2Å; L169-M173 HydrophobicContact CD1-CE 4.42Å; L169-M173 HydrophobicContact CD1-CG 3.77Å; L169-M173 HydrophobicContact CD1-SD 4.38Å; L169-M173 HydrophobicContact CG-CG 4.38Å; L169-M173 WeakPolarHBondContact O-CG 3.25Å; L169-M173 PolarHBondContact O-N 3.3Å; G170-M173 PolarHBondContact O-N 3.33Å; M173-H177 WeakPolarHBondContact O-CB 3.25Å; M173-H177 PolarHBondContact O-N 2.87Å; M173-A223 HydrophobicContact CE-CB 3.92Å
174Y96.8Very high96Very high93 Ų9344.5 Ų44.537%0.36524%0.241SC..Hα-helixtrans-66.7-51.7174.2175.4-98.3000111.9G170 I171 N172 L176 H177 S178 P246 F247G170-Y174 WeakPolarHBondContact O-CB 3.48Å; G170-Y174 PolarHBondContact O-N 2.91Å; I171-Y174 PolarHBondContact O-N 3.43Å; N172-Y174 VanDerWaalsContact C-N 3.3Å; N172-Y174 PolarHBondContact O-N 3.21Å; Y174-L176 VanDerWaalsContact C-N 3.33Å; Y174-L176 PolarHBondContact O-N 3.29Å; Y174-H177 VanDerWaalsContact O-CB 3.31Å; Y174-H177 WeakPolarHBondContact O-CB 3.37Å; Y174-H177 PolarHBondContact O-N 2.94Å; Y174-H177 VanDerWaalsContact O-N 3.17Å; Y174-S178 PolarHBondContact O-N 3.01Å; Y174-S178 VanDerWaalsContact O-N 3.08Å; Y174-S178 PolarHBondContact O-OG 3Å; Y174-S178 VanDerWaalsContact O-OG 3.12Å; Y174-P246 HydrophobicContact CE1-CB 3.76Å; Y174-P246 HydrophobicContact CE1-CG 3.67Å; Y174-P246 WeakPolarHBondContact OH-CB 3.28Å; Y174-F247 HydrophobicContact CE1-CE2 4.26Å
175V96.2Very high96.3Very high38 Ų3847.2 Ų47.223%0.2327%0.265CS..Hα-helixtrans-62.6-43.1179.2177.30000110.3I171 N172 H177 S178 F179 I227 I231I171-V175 HydrophobicContact CG2-CG2 4.1Å; I171-V175 WeakPolarHBondContact O-CB 3.28Å; I171-V175 VanDerWaalsContact O-CG2 3.26Å; I171-V175 WeakPolarHBondContact O-CG2 3.47Å; I171-V175 PolarHBondContact O-N 2.85Å; N172-V175 PolarHBondContact O-N 3.26Å; V175-H177 VanDerWaalsContact C-N 3.31Å; V175-H177 PolarHBondContact O-N 3.15Å; V175-S178 PolarHBondContact O-N 3.05Å; V175-F179 HydrophobicContact CG1-CD2 3.92Å; V175-F179 HydrophobicContact CG1-CE2 3.82Å; V175-F179 WeakPolarHBondContact O-CD2 3.16Å; V175-F179 PolarHBondContact O-N 3.39Å; V175-I227 HydrophobicContact CB-CG2 4.24Å; V175-I227 HydrophobicContact CG1-CG2 3.51Å; V175-I231 HydrophobicContact CG1-CD1 4.14Å
176L97.8Very high96.4Very high0 Ų049.6 Ų49.60%028%0.275CS..Hα-helixtrans-59.7-42.7175.9-175.361.6000111.6Y117 I120 N172 Y174 S178 F179 A180 F192 F196 I227 I230Y117-L176 HydrophobicContact CD2-CB 4.42Å; Y117-L176 HydrophobicContact CD2-CD2 3.96Å; Y117-L176 HydrophobicContact CD2-CG 3.89Å; Y117-L176 HydrophobicContact CE2-CB 4.12Å; Y117-L176 HydrophobicContact CE2-CD2 4.21Å; Y117-L176 HydrophobicContact CE2-CG 4.09Å; I120-L176 HydrophobicContact CB-CD2 4.47Å; I120-L176 HydrophobicContact CD1-CD2 4.31Å; I120-L176 HydrophobicContact CG2-CD2 3.85Å; N172-L176 VanDerWaalsContact O-CB 3.29Å; N172-L176 WeakPolarHBondContact O-CB 3.43Å; N172-L176 PolarHBondContact O-N 3.12Å; Y174-L176 VanDerWaalsContact C-N 3.33Å; Y174-L176 PolarHBondContact O-N 3.29Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 3.31Å; L176-F179 PolarHBondContact O-N 3.23Å; L176-A180 WeakPolarHBondContact O-CB 3.37Å; L176-A180 PolarHBondContact O-N 3.12Å; L176-F192 HydrophobicContact CD1-CE2 4.14Å; L176-F192 HydrophobicContact CD1-CZ 3.95Å; L176-F196 HydrophobicContact CD1-CD2 4.1Å; L176-F196 HydrophobicContact CD1-CE2 4.25Å; L176-F196 HydrophobicContact CD2-CE2 4.08Å; L176-F196 HydrophobicContact CD2-CZ 4.47Å; L176-I227 HydrophobicContact CB-CD1 4.01Å; L176-I227 HydrophobicContact CB-CG1 3.98Å; L176-I227 HydrophobicContact CD1-CG1 4.1Å; L176-I227 HydrophobicContact CG-CG1 4.49Å; L176-I230 HydrophobicContact CD1-CG1 4.35Å
177H97.2Very high96.3Very high81 Ų8145.1 Ų45.138%0.37525%0.253SS..Hα-helixtrans-56.5-45.9176.2-179.1-87.8000111.8F114 Y117 M173 Y174 V175 F179 A180F114-H177 AromaticContact CE1-CD2 4Å; F114-H177 AromaticContact CZ-CD2 3.57Å; F114-H177 AromaticContact CZ-NE2 3.77Å; Y117-H177 HydrophobicContact CE1-CB 4.3Å; Y117-H177 AromaticContact CE1-CD2 3.68Å; Y117-H177 HydrophobicContact CE2-CB 3.74Å; Y117-H177 AromaticContact CZ-CD2 3.86Å; Y117-H177 WeakPolarHBondContact OH-CB 3.42Å; M173-H177 WeakPolarHBondContact O-CB 3.25Å; M173-H177 PolarHBondContact O-N 2.87Å; Y174-H177 VanDerWaalsContact O-CB 3.31Å; Y174-H177 WeakPolarHBondContact O-CB 3.37Å; Y174-H177 PolarHBondContact O-N 2.94Å; Y174-H177 VanDerWaalsContact O-N 3.17Å; V175-H177 VanDerWaalsContact C-N 3.31Å; V175-H177 PolarHBondContact O-N 3.15Å; H177-F179 PolarHBondContact O-N 2.85Å; H177-A180 PolarHBondContact O-N 3.01Å
178S94.8Very high96.3Very high50 Ų5039.4 Ų39.435%0.3524%0.235SC..Hα-helixtrans-62.1-23.1-177.2-58.20000114Y174 V175 L176Y174-S178 PolarHBondContact O-N 3.01Å; Y174-S178 VanDerWaalsContact O-N 3.08Å; Y174-S178 PolarHBondContact O-OG 3Å; Y174-S178 VanDerWaalsContact O-OG 3.12Å; V175-S178 PolarHBondContact O-N 3.05Å; L176-S178 VanDerWaalsContact C-N 3.31Å; L176-S178 PolarHBondContact O-N 3.31Å
179F96.1Very high96.3Very high33 Ų3339.1 Ų39.115%0.14524%0.235CC..Hα-helixtrans-111.8-21.3-178.4-66.3-68.3000114V175 L176 H177 S181 S182 V183 I230 I231 L234 L243V175-F179 HydrophobicContact CG1-CD2 3.92Å; V175-F179 HydrophobicContact CG1-CE2 3.82Å; V175-F179 WeakPolarHBondContact O-CD2 3.16Å; V175-F179 PolarHBondContact O-N 3.39Å; L176-F179 PolarHBondContact O-N 3.23Å; H177-F179 PolarHBondContact O-N 2.85Å; F179-S181 PolarHBondContact O-N 3.39Å; F179-S182 PolarHBondContact O-N 3.35Å; F179-V183 PolarHBondContact O-N 3.23Å; F179-I230 HydrophobicContact CB-CG2 3.85Å; F179-I231 HydrophobicContact CD2-CD1 4.33Å; F179-I231 HydrophobicContact CD2-CG1 3.82Å; F179-I231 HydrophobicContact CE2-CD1 3.96Å; F179-I231 HydrophobicContact CE2-CG1 3.74Å; F179-I231 HydrophobicContact CG-CG1 4.35Å; F179-I231 HydrophobicContact CZ-CG1 4.16Å; F179-L234 HydrophobicContact CD1-CD2 3.37Å; F179-L234 HydrophobicContact CE1-CD2 3.88Å; F179-L234 HydrophobicContact CG-CD2 4.43Å; F179-L243 HydrophobicContact CE1-CD1 4.19Å; F179-L243 HydrophobicContact CE1-CD2 3.81Å; F179-L243 HydrophobicContact CZ-CD1 4.49Å
180A97.4Very high96.1Very high0 Ų041.7 Ų41.70%025%0.247CC..Hα-helixtrans-60.5-47-172.200000112.7F114 Y117 L176 H177 S182 V183 I184 F192F114-A180 HydrophobicContact CD2-CB 4.49Å; F114-A180 HydrophobicContact CE2-CB 3.85Å; Y117-A180 HydrophobicContact CD2-CB 4.38Å; L176-A180 WeakPolarHBondContact O-CB 3.37Å; L176-A180 PolarHBondContact O-N 3.12Å; H177-A180 PolarHBondContact O-N 3.01Å; A180-S182 PolarHBondContact O-N 3.13Å; A180-V183 PolarHBondContact O-N 3.34Å; A180-I184 HydrophobicContact CB-CD1 4.45Å; A180-I184 VanDerWaalsContact O-CB 3.25Å; A180-I184 WeakPolarHBondContact O-CB 3.13Å; A180-I184 WeakPolarHBondContact O-CD1 3.23Å; A180-I184 WeakPolarHBondContact O-CG1 3.29Å; A180-I184 PolarHBondContact O-N 3.47Å; A180-F192 HydrophobicContact CB-CE2 3.74Å; A180-F192 HydrophobicContact CB-CZ 3.66Å
181S96.1Very high96Very high61 Ų6141.1 Ų41.143%0.42724%0.235SC..Hα-helixtrans-60.8-47.2-179.353.30000111.7F179 I184 S185F179-S181 PolarHBondContact O-N 3.39Å; S181-I184 PolarHBondContact O-N 2.98Å; S181-S185 WeakPolarHBondContact O-CB 3.48Å; S181-S185 PolarHBondContact O-N 3.41Å; S181-S185 PolarHBondContact O-OG 2.94Å
182S95.8Very high96.1Very high50 Ų5037.4 Ų37.435%0.3522%0.215SC..Hα-helixtrans-59.9-49.5178.9-55.80000111.5F179 A180 S185 L186F179-S182 PolarHBondContact O-N 3.35Å; A180-S182 PolarHBondContact O-N 3.13Å; S182-S185 PolarHBondContact O-N 2.87Å; S182-S185 PolarHBondContact O-OG 3.48Å; S182-L186 VanDerWaalsContact O-CG 3.3Å; S182-L186 WeakPolarHBondContact O-CG 3.3Å; S182-L186 PolarHBondContact O-N 3.1Å
183V97.1Very high96.1Very high0 Ų040.9 Ų40.90%023%0.23CC..Hα-helixtrans-68-43.5-179.4177.10000111.7F179 A180 S185 L186 V187 F192 I230 L234F179-V183 PolarHBondContact O-N 3.23Å; A180-V183 PolarHBondContact O-N 3.34Å; V183-S185 PolarHBondContact O-N 2.77Å; V183-L186 PolarHBondContact O-N 2.85Å; V183-V187 HydrophobicContact CG1-CG2 3.86Å; V183-V187 WeakPolarHBondContact O-CG2 3.18Å; V183-V187 PolarHBondContact O-N 2.83Å; V183-F192 HydrophobicContact CB-CD2 4.09Å; V183-F192 HydrophobicContact CG1-CB 4.33Å; V183-F192 HydrophobicContact CG1-CD2 3.97Å; V183-I230 HydrophobicContact CB-CG2 4.43Å; V183-I230 HydrophobicContact CG1-CD1 4.43Å; V183-I230 HydrophobicContact CG2-CG2 3.85Å; V183-L234 HydrophobicContact CG2-CB 3.71Å; V183-L234 HydrophobicContact CG2-CD1 4Å; V183-L234 HydrophobicContact CG2-CD2 4.49Å; V183-L234 HydrophobicContact CG2-CG 4.27Å
184I97.6Very high96.1Very high18 Ų1840.3 Ų40.39%0.09223%0.228CC..Hα-helixtrans-56.9-38.9174.9-71.3167.2000110.8A113 F114 A180 S181 L186 G188 V189 F192A113-I184 HydrophobicContact CB-CG2 3.66Å; F114-I184 HydrophobicContact CD2-CD1 4.31Å; A180-I184 HydrophobicContact CB-CD1 4.45Å; A180-I184 VanDerWaalsContact O-CB 3.25Å; A180-I184 WeakPolarHBondContact O-CB 3.13Å; A180-I184 WeakPolarHBondContact O-CD1 3.23Å; A180-I184 WeakPolarHBondContact O-CG1 3.29Å; A180-I184 PolarHBondContact O-N 3.47Å; S181-I184 PolarHBondContact O-N 2.98Å; I184-L186 VanDerWaalsContact C-N 3.29Å; I184-L186 PolarHBondContact O-N 3.42Å; I184-G188 WeakPolarHBondContact O-CA 3.42Å; I184-G188 PolarHBondContact O-N 2.99Å; I184-V189 HydrophobicContact CG2-CB 4.47Å; I184-F192 HydrophobicContact CD1-CD1 3.85Å; I184-F192 HydrophobicContact CD1-CE1 4.1Å; I184-F192 HydrophobicContact CD1-CG 4.08Å; I184-F192 HydrophobicContact CG1-CB 3.61Å; I184-F192 HydrophobicContact CG1-CD1 3.71Å; I184-F192 HydrophobicContact CG1-CD2 3.94Å; I184-F192 HydrophobicContact CG1-CE1 4.39Å; I184-F192 HydrophobicContact CG1-CG 3.45Å; I184-F192 VanDerWaalsContact CG1-CG 3.45Å
185S96.4Very high96.1Very high97 Ų9735.9 Ų35.968%0.67821%0.21SC*.Hα-helixtrans-68.9-27178.775.70000113.7S181 S182 V183S181-S185 WeakPolarHBondContact O-CB 3.48Å; S181-S185 PolarHBondContact O-N 3.41Å; S181-S185 PolarHBondContact O-OG 2.94Å; S182-S185 PolarHBondContact O-N 2.87Å; S182-S185 PolarHBondContact O-OG 3.48Å; V183-S185 PolarHBondContact O-N 2.77Å
186L95.2Very high96.2Very high71 Ų7134 Ų3437%0.37220%0.199SC..Hα-helixtrans-86-44-177.9-69166.9000112.5S182 V183 I184 L234 L237 Q238S182-L186 VanDerWaalsContact O-CG 3.3Å; S182-L186 WeakPolarHBondContact O-CG 3.3Å; S182-L186 PolarHBondContact O-N 3.1Å; V183-L186 PolarHBondContact O-N 2.85Å; I184-L186 VanDerWaalsContact C-N 3.29Å; I184-L186 PolarHBondContact O-N 3.42Å; L186-L234 HydrophobicContact CD1-CD1 3.45Å; L186-L234 VanDerWaalsContact CD1-CD1 3.45Å; L186-L237 HydrophobicContact CD1-CB 4.3Å; L186-Q238 HydrophobicContact CD1-CB 4.47Å; L186-Q238 HydrophobicContact CD1-CG 3.52Å; L186-Q238 HydrophobicContact CD2-CG 3.72Å; L186-Q238 HydrophobicContact CG-CG 4.27Å
187V93.6Very high96.3Very high30 Ų3034.6 Ų34.618%0.18220%0.202CC..Hα-helixtrans-119.4-7.8-171.1-58.30000114.2V183 D191 L237 Y297 V302V183-V187 HydrophobicContact CG1-CG2 3.86Å; V183-V187 WeakPolarHBondContact O-CG2 3.18Å; V183-V187 PolarHBondContact O-N 2.83Å; V187-D191 HydrophobicContact CB-CB 3.81Å; V187-D191 HydrophobicContact CG2-CB 3.61Å; V187-L237 HydrophobicContact CG1-CD1 3.55Å; V187-Y297 HydrophobicContact CG1-CE1 4.3Å; V187-V302 HydrophobicContact CG1-CG2 4.12Å
188G94.3Very high96.3Very high23 Ų2330.8 Ų30.824%0.23718%0.184CC..  trans90.4171.8-173.600000113.4I184 F192I184-G188 WeakPolarHBondContact O-CA 3.42Å; I184-G188 PolarHBondContact O-N 2.99Å; G188-F192 WeakPolarHBondContact O-CB 3.26Å; G188-F192 PolarHBondContact O-N 3.13Å; G188-F192 VanDerWaalsContact O-N 3.13Å
189V95.1Very high96.5Very high30 Ų3028.4 Ų28.418%0.18217%0.168CC..Hα-helixtrans-76.7-33.5-174.163.60000112.1A113 V116 I184 F193A113-V189 HydrophobicContact CB-CB 4.07Å; A113-V189 HydrophobicContact CB-CG2 4.47Å; A113-V189 WeakPolarHBondContact O-CG2 3.06Å; V116-V189 HydrophobicContact CB-CG2 3.85Å; V116-V189 HydrophobicContact CG1-CG2 4.44Å; V116-V189 HydrophobicContact CG2-CG2 3.36Å; I184-V189 HydrophobicContact CG2-CB 4.47Å; V189-F193 VanDerWaalsContact O-CB 3.32Å; V189-F193 WeakPolarHBondContact O-CB 3.42Å; V189-F193 PolarHBondContact O-N 3.09Å
190E93.6Very high96.6Very high63 Ų6326.8 Ų26.829%0.29416%0.161SC..Hα-helixtrans-63.5-46.6179.3-63.181.8-179.400110.6S194E190-S194 WeakPolarHBondContact O-CB 3.49Å; E190-S194 PolarHBondContact O-N 2.84Å; E190-S194 PolarHBondContact O-OG 3.21Å
191D94.3Very high96.7Very high28 Ų2826.9 Ų26.915%0.1516%0.161CC..Hα-helixtrans-75.8-39.3179.7-89.820.1000112V187 F193 S194 V195 Y297V187-D191 HydrophobicContact CB-CB 3.81Å; V187-D191 HydrophobicContact CG2-CB 3.61Å; D191-F193 VanDerWaalsContact C-N 3.32Å; D191-F193 PolarHBondContact O-N 3.26Å; D191-S194 PolarHBondContact O-N 3.14Å; D191-S194 VanDerWaalsContact O-N 3.17Å; D191-V195 WeakPolarHBondContact O-CB 3.34Å; D191-V195 VanDerWaalsContact O-CG2 3.29Å; D191-V195 WeakPolarHBondContact O-CG2 3.48Å; D191-V195 PolarHBondContact O-N 3.47Å; D191-Y297 VanDerWaalsContact CB-OH 3.31Å; D191-Y297 WeakPolarHBondContact CB-OH 3.32Å; D191-Y297 VanDerWaalsContact CG-OH 3.31Å; D191-Y297 PolarHBondContact OD2-OH 3.09Å
192F97.3Very high96.8Very high0 Ų026.7 Ų26.70%015%0.153CC..Hα-helixtrans-53.2-51170.2165.4-99.4000111.4V116 I120 L176 A180 V183 I184 G188 S194 F196 I230V116-F192 HydrophobicContact CG1-CD1 4.38Å; V116-F192 HydrophobicContact CG1-CE1 4.23Å; I120-F192 HydrophobicContact CD1-CE1 4.21Å; L176-F192 HydrophobicContact CD1-CE2 4.14Å; L176-F192 HydrophobicContact CD1-CZ 3.95Å; A180-F192 HydrophobicContact CB-CE2 3.74Å; A180-F192 HydrophobicContact CB-CZ 3.66Å; V183-F192 HydrophobicContact CB-CD2 4.09Å; V183-F192 HydrophobicContact CG1-CB 4.33Å; V183-F192 HydrophobicContact CG1-CD2 3.97Å; I184-F192 HydrophobicContact CD1-CD1 3.85Å; I184-F192 HydrophobicContact CD1-CE1 4.1Å; I184-F192 HydrophobicContact CD1-CG 4.08Å; I184-F192 HydrophobicContact CG1-CB 3.61Å; I184-F192 HydrophobicContact CG1-CD1 3.71Å; I184-F192 HydrophobicContact CG1-CD2 3.94Å; I184-F192 HydrophobicContact CG1-CE1 4.39Å; I184-F192 HydrophobicContact CG1-CG 3.45Å; I184-F192 VanDerWaalsContact CG1-CG 3.45Å; G188-F192 WeakPolarHBondContact O-CB 3.26Å; G188-F192 PolarHBondContact O-N 3.13Å; G188-F192 VanDerWaalsContact O-N 3.13Å; F192-S194 VanDerWaalsContact C-N 3.32Å; F192-S194 PolarHBondContact O-N 2.75Å; F192-F196 WeakPolarHBondContact O-CB 3.47Å; F192-F196 PolarHBondContact O-N 2.84Å; F192-I230 HydrophobicContact CD2-CD1 3.66Å; F192-I230 HydrophobicContact CD2-CG1 4.47Å; F192-I230 HydrophobicContact CE2-CD1 3.81Å; F192-I230 HydrophobicContact CE2-CG1 4.13Å; F192-I230 HydrophobicContact CE2-CG2 4.35Å
193F97.1Very high96.9Very high80 Ų8024.3 Ų24.335%0.35114%0.136SC..Hα-helixtrans-62.5-42.1178.4179.1-102.7000111.4V116 V189 D191 F196 I197V116-F193 HydrophobicContact CG1-CB 4.29Å; V116-F193 HydrophobicContact CG1-CD2 3.87Å; V116-F193 HydrophobicContact CG1-CG 4.47Å; V189-F193 VanDerWaalsContact O-CB 3.32Å; V189-F193 WeakPolarHBondContact O-CB 3.42Å; V189-F193 PolarHBondContact O-N 3.09Å; D191-F193 VanDerWaalsContact C-N 3.32Å; D191-F193 PolarHBondContact O-N 3.26Å; F193-F196 PolarHBondContact O-N 3.35Å; F193-I197 HydrophobicContact CD1-CG1 4.39Å; F193-I197 HydrophobicContact CD2-CG1 4.18Å; F193-I197 HydrophobicContact CE1-CG1 3.98Å; F193-I197 HydrophobicContact CE2-CD1 4.12Å; F193-I197 HydrophobicContact CE2-CG1 3.75Å; F193-I197 HydrophobicContact CG-CG1 4.49Å; F193-I197 HydrophobicContact CZ-CD1 4.21Å; F193-I197 HydrophobicContact CZ-CG1 3.64Å; F193-I197 WeakPolarHBondContact O-CG1 3.43Å; F193-I197 PolarHBondContact O-N 2.85Å
194S97.5Very high97Very high0 Ų024.8 Ų24.80%014%0.14CC..Hα-helixtrans-64.6-46.3-179.6-58.90000112.5S71 E190 D191 F192 F196 I197 A198S71-S194 WeakPolarHBondContact CB-OG 3.37Å; S71-S194 PolarHBondContact OG-OG 3.18Å; E190-S194 WeakPolarHBondContact O-CB 3.49Å; E190-S194 PolarHBondContact O-N 2.84Å; E190-S194 PolarHBondContact O-OG 3.21Å; D191-S194 PolarHBondContact O-N 3.14Å; D191-S194 VanDerWaalsContact O-N 3.17Å; F192-S194 VanDerWaalsContact C-N 3.32Å; F192-S194 PolarHBondContact O-N 2.75Å; S194-F196 VanDerWaalsContact C-N 3.34Å; S194-F196 PolarHBondContact O-N 3.06Å; S194-I197 PolarHBondContact O-N 2.88Å; S194-A198 WeakPolarHBondContact O-CA 3.45Å; S194-A198 WeakPolarHBondContact O-CB 3.41Å; S194-A198 PolarHBondContact O-N 2.95Å
195V98.2Very high97Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-63.4-41.7177.2174.80000110.7F68 D191 G199 A229 I230 A233 Y297F68-V195 HydrophobicContact CE1-CG2 4.34Å; F68-V195 HydrophobicContact CZ-CG2 4.06Å; D191-V195 WeakPolarHBondContact O-CB 3.34Å; D191-V195 VanDerWaalsContact O-CG2 3.29Å; D191-V195 WeakPolarHBondContact O-CG2 3.48Å; D191-V195 PolarHBondContact O-N 3.47Å; V195-G199 VanDerWaalsContact O-CA 3.28Å; V195-G199 WeakPolarHBondContact O-CA 3.42Å; V195-G199 PolarHBondContact O-N 3.45Å; V195-A229 HydrophobicContact CG1-CB 4.11Å; V195-I230 HydrophobicContact CB-CD1 4.09Å; V195-I230 HydrophobicContact CG1-CD1 3.95Å; V195-A233 HydrophobicContact CG1-CB 4.06Å; V195-Y297 HydrophobicContact CG2-CD1 3.51Å; V195-Y297 HydrophobicContact CG2-CD2 3.66Å; V195-Y297 HydrophobicContact CG2-CE1 3.5Å; V195-Y297 HydrophobicContact CG2-CE2 3.64Å; V195-Y297 HydrophobicContact CG2-CG 3.6Å
196F98.6Very high97Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-60.4-50.9176.7176.9-100.8000111.9I120 L176 F192 F193 S194 G200 A223 G226 I227 I230I120-F196 HydrophobicContact CD1-CD1 3.88Å; I120-F196 HydrophobicContact CD1-CE1 3.96Å; I120-F196 HydrophobicContact CD1-CG 4.38Å; I120-F196 HydrophobicContact CG1-CE1 4.28Å; I120-F196 HydrophobicContact CG2-CE1 4Å; I120-F196 HydrophobicContact CG2-CZ 3.9Å; L176-F196 HydrophobicContact CD1-CD2 4.1Å; L176-F196 HydrophobicContact CD1-CE2 4.25Å; L176-F196 HydrophobicContact CD2-CE2 4.08Å; L176-F196 HydrophobicContact CD2-CZ 4.47Å; F192-F196 WeakPolarHBondContact O-CB 3.47Å; F192-F196 PolarHBondContact O-N 2.84Å; F193-F196 PolarHBondContact O-N 3.35Å; S194-F196 VanDerWaalsContact C-N 3.34Å; S194-F196 PolarHBondContact O-N 3.06Å; F196-G200 PolarHBondContact O-N 3.33Å; F196-A223 HydrophobicContact CE2-CB 4.3Å; F196-A223 HydrophobicContact CZ-CB 4.06Å; F196-G226 WeakPolarHBondContact O-CA 3.44Å; F196-I227 HydrophobicContact CE2-CG1 4.16Å; F196-I230 HydrophobicContact CB-CD1 4.08Å; F196-I230 HydrophobicContact CB-CG1 4.18Å; F196-I230 HydrophobicContact CD2-CG1 4.29Å
197I98.3Very high97.1Very high12 Ų1220.1 Ų20.16%0.06210%0.104CC..Hα-helixtrans-72.4-53.7-177.9-63.1-63000111.3V67 L160 F161 F193 S194 G199 G200 I201V67-I197 HydrophobicContact CG1-CB 4.35Å; V67-I197 HydrophobicContact CG1-CG2 4.44Å; V67-I197 HydrophobicContact CG2-CG2 3.93Å; L160-I197 HydrophobicContact CD2-CD1 4.25Å; F161-I197 HydrophobicContact CE2-CD1 4.16Å; F161-I197 HydrophobicContact CZ-CD1 3.7Å; F193-I197 HydrophobicContact CD1-CG1 4.39Å; F193-I197 HydrophobicContact CD2-CG1 4.18Å; F193-I197 HydrophobicContact CE1-CG1 3.98Å; F193-I197 HydrophobicContact CE2-CD1 4.12Å; F193-I197 HydrophobicContact CE2-CG1 3.75Å; F193-I197 HydrophobicContact CG-CG1 4.49Å; F193-I197 HydrophobicContact CZ-CD1 4.21Å; F193-I197 HydrophobicContact CZ-CG1 3.64Å; F193-I197 WeakPolarHBondContact O-CG1 3.43Å; F193-I197 PolarHBondContact O-N 2.85Å; S194-I197 PolarHBondContact O-N 2.88Å; I197-G199 PolarHBondContact O-N 3.4Å; I197-G200 PolarHBondContact O-N 2.9Å; I197-I201 HydrophobicContact CG2-CD1 3.79Å; I197-I201 HydrophobicContact CG2-CG1 4.43Å; I197-I201 VanDerWaalsContact O-CG1 3.25Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 3.42Å
198A98.4Very high97.2Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-63.3-42.3-177.700000111.6T64 V67 F68 S194 I201 F202 F293T64-A198 HydrophobicContact CG2-CB 3.82Å; V67-A198 HydrophobicContact CG1-CB 4.49Å; F68-A198 HydrophobicContact CD2-CB 4.28Å; F68-A198 HydrophobicContact CE2-CB 3.72Å; S194-A198 WeakPolarHBondContact O-CA 3.45Å; S194-A198 WeakPolarHBondContact O-CB 3.41Å; S194-A198 PolarHBondContact O-N 2.95Å; A198-I201 PolarHBondContact O-N 3.28Å; A198-F202 WeakPolarHBondContact O-CB 3.44Å; A198-F202 PolarHBondContact O-N 3.38Å; A198-F293 HydrophobicContact CB-CE1 4.07Å; A198-F293 HydrophobicContact CB-CZ 3.68Å
199G98.7Very high97.2Very high0 Ų020.4 Ų20.40%010%0.099CC..Hα-helixtrans-64.7-38.917500000112.5V195 I197 F202 S203V195-G199 VanDerWaalsContact O-CA 3.28Å; V195-G199 WeakPolarHBondContact O-CA 3.42Å; V195-G199 PolarHBondContact O-N 3.45Å; I197-G199 PolarHBondContact O-N 3.4Å; G199-F202 PolarHBondContact O-N 3.34Å; G199-S203 WeakPolarHBondContact O-CB 3.23Å; G199-S203 PolarHBondContact O-N 2.77Å
200G98.6Very high97.2Very high0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-67.3-37.9173.800000113.6F196 I197 S203 S204F196-G200 PolarHBondContact O-N 3.33Å; I197-G200 PolarHBondContact O-N 2.9Å; G200-S203 WeakPolarHBondContact O-CB 3.49Å; G200-S204 WeakPolarHBondContact O-CB 3.28Å; G200-S204 PolarHBondContact O-N 3.42Å; G200-S204 PolarHBondContact O-OG 2.9Å
201I98.5Very high97.1Very high2 Ų217.6 Ų17.61%0.019%0.085CC..Hα-helixtrans-64.5-48.5174.5-66.1167.4000110F59 T60 L156 V157 I197 A198 S203 S204 Y205F59-I201 HydrophobicContact CE1-CG2 4.43Å; T60-I201 HydrophobicContact CG2-CG2 4.15Å; L156-I201 HydrophobicContact CB-CG2 4.34Å; V157-I201 HydrophobicContact CB-CG1 4.46Å; V157-I201 HydrophobicContact CG1-CD1 4.48Å; V157-I201 HydrophobicContact CG2-CD1 3.88Å; V157-I201 HydrophobicContact CG2-CG1 3.95Å; I197-I201 HydrophobicContact CG2-CD1 3.79Å; I197-I201 HydrophobicContact CG2-CG1 4.43Å; I197-I201 VanDerWaalsContact O-CG1 3.25Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 3.42Å; A198-I201 PolarHBondContact O-N 3.28Å; I201-S203 PolarHBondContact O-N 3.21Å; I201-S204 WeakPolarHBondContact O-CB 3.38Å; I201-S204 PolarHBondContact O-N 3.45Å; I201-Y205 PolarHBondContact O-N 3.19Å
202F98.6Very high97Very high56 Ų5617.9 Ų17.925%0.2469%0.086CC..Hα-helixtrans-60.9-44.9177.3-177.4-97.5000111.6T60 A198 G199 S204 Y205 I206 G289 F293T60-F202 HydrophobicContact CG2-CB 4.32Å; T60-F202 HydrophobicContact CG2-CD2 4.07Å; A198-F202 WeakPolarHBondContact O-CB 3.44Å; A198-F202 PolarHBondContact O-N 3.38Å; G199-F202 PolarHBondContact O-N 3.34Å; F202-S204 VanDerWaalsContact C-N 3.34Å; F202-S204 PolarHBondContact O-N 3.24Å; F202-Y205 WeakPolarHBondContact O-CA 3.48Å; F202-Y205 WeakPolarHBondContact O-CB 3.47Å; F202-Y205 PolarHBondContact O-N 2.98Å; F202-Y205 VanDerWaalsContact O-N 3.09Å; F202-I206 HydrophobicContact CD1-CG1 4.05Å; F202-I206 HydrophobicContact CE1-CD1 4.05Å; F202-I206 HydrophobicContact CE1-CG1 3.68Å; F202-I206 HydrophobicContact CE2-CD1 4.32Å; F202-I206 HydrophobicContact CZ-CD1 3.82Å; F202-I206 HydrophobicContact CZ-CG1 3.98Å; F202-I206 WeakPolarHBondContact O-CG1 3.46Å; F202-I206 PolarHBondContact O-N 3.29Å; F202-G289 WeakPolarHBondContact CD1-O 3.29Å; F202-F293 HydrophobicContact CB-CD2 3.68Å; F202-F293 HydrophobicContact CB-CE2 4.14Å; F202-F293 HydrophobicContact CB-CG 4.33Å; F202-F293 HydrophobicContact CD1-CB 3.79Å; F202-F293 AromaticContact CD1-CD2 3.85Å; F202-F293 HydrophobicContact CD1-CD2 3.85Å; F202-F293 HydrophobicContact CD1-CG 4.25Å; F202-F293 HydrophobicContact CD2-CD2 4.27Å; F202-F293 HydrophobicContact CE1-CB 4.33Å; F202-F293 HydrophobicContact CG-CB 4.43Å; F202-F293 AromaticContact CG-CD2 3.66Å; F202-F293 HydrophobicContact CG-CD2 3.66Å; F202-F293 HydrophobicContact CG-CE2 4.39Å; F202-F293 HydrophobicContact CG-CG 4.42Å
203S98.5Very high96.8Very high1 Ų125 Ų251%0.00712%0.123CC..Hα-helixtrans-54.3-47.5172.5171.30000112.4G199 G200 I201 Y205 I206 S207 G225 A286G199-S203 WeakPolarHBondContact O-CB 3.23Å; G199-S203 PolarHBondContact O-N 2.77Å; G200-S203 WeakPolarHBondContact O-CB 3.49Å; I201-S203 PolarHBondContact O-N 3.21Å; S203-Y205 VanDerWaalsContact C-N 3.27Å; S203-Y205 PolarHBondContact O-N 3.38Å; S203-I206 PolarHBondContact O-N 3.36Å; S203-S207 PolarHBondContact O-N 2.9Å; S203-G225 WeakPolarHBondContact OG-CA 3.5Å; S203-A286 WeakPolarHBondContact CB-O 3.44Å; S203-A286 VanDerWaalsContact OG-CA 3.26Å; S203-A286 WeakPolarHBondContact OG-CA 3.3Å; S203-A286 WeakPolarHBondContact OG-CB 3.18Å; S203-A286 PolarHBondContact OG-O 3.45Å
204S97.9Very high96.3Very high10 Ų1025.1 Ų25.17%0.0712%0.121CC..Hα-helixtrans-63.1-34.3177.2-61.50000112.2L156 G200 I201 F202 S207 L208L156-S204 WeakPolarHBondContact O-CB 3.49Å; L156-S204 PolarHBondContact O-OG 3.38Å; G200-S204 WeakPolarHBondContact O-CB 3.28Å; G200-S204 PolarHBondContact O-N 3.42Å; G200-S204 PolarHBondContact O-OG 2.9Å; I201-S204 WeakPolarHBondContact O-CB 3.38Å; I201-S204 PolarHBondContact O-N 3.45Å; F202-S204 VanDerWaalsContact C-N 3.34Å; F202-S204 PolarHBondContact O-N 3.24Å; S204-S207 WeakPolarHBondContact O-CB 3.38Å; S204-L208 WeakPolarHBondContact O-CB 3.48Å; S204-L208 PolarHBondContact O-N 2.95Å
205Y97.9Very high95.8Very high42 Ų4231.7 Ų31.717%0.16515%0.146CC..Hα-helixtrans-69-45.4174.8174.9-118.1000112.3A53 C56 G57 T60 I201 F202 S203 S207 L208 L209A53-Y205 WeakPolarHBondContact O-CE2 3.48Å; A53-Y205 PolarHBondContact O-OH 3.37Å; C56-Y205 HydrophobicContact CB-CD2 3.87Å; C56-Y205 HydrophobicContact CB-CE2 4Å; G57-Y205 VanDerWaalsContact CA-CE2 3.44Å; G57-Y205 VanDerWaalsContact N-CE2 3.3Å; T60-Y205 HydrophobicContact CG2-CD1 4.26Å; T60-Y205 HydrophobicContact CG2-CG 4.34Å; T60-Y205 WeakPolarHBondContact OG1-CB 3.28Å; I201-Y205 PolarHBondContact O-N 3.19Å; F202-Y205 WeakPolarHBondContact O-CA 3.48Å; F202-Y205 WeakPolarHBondContact O-CB 3.47Å; F202-Y205 PolarHBondContact O-N 2.98Å; F202-Y205 VanDerWaalsContact O-N 3.09Å; S203-Y205 VanDerWaalsContact C-N 3.27Å; S203-Y205 PolarHBondContact O-N 3.38Å; Y205-S207 VanDerWaalsContact C-N 3.29Å; Y205-S207 PolarHBondContact O-N 3.5Å; Y205-L208 WeakPolarHBondContact O-CB 3.16Å; Y205-L208 PolarHBondContact O-N 3.41Å; Y205-L209 HydrophobicContact CD1-CD1 4.32Å; Y205-L209 HydrophobicContact CD2-CG 4.41Å; Y205-L209 HydrophobicContact CE1-CD1 3.73Å; Y205-L209 HydrophobicContact CE1-CG 4.3Å; Y205-L209 HydrophobicContact CE2-CD1 4.26Å; Y205-L209 HydrophobicContact CE2-CD2 3.9Å; Y205-L209 HydrophobicContact CE2-CG 3.96Å; Y205-L209 WeakPolarHBondContact O-CG 3.12Å; Y205-L209 PolarHBondContact O-N 3.47Å
206I97.7Very high95.2Very high46 Ų4633.4 Ų33.424%0.23616%0.158CC..Hα-helixtrans-60.1-40.9174.8-62.5-54000111.2F202 S203 L208 L209 N210 A285F202-I206 HydrophobicContact CD1-CG1 4.05Å; F202-I206 HydrophobicContact CE1-CD1 4.05Å; F202-I206 HydrophobicContact CE1-CG1 3.68Å; F202-I206 HydrophobicContact CE2-CD1 4.32Å; F202-I206 HydrophobicContact CZ-CD1 3.82Å; F202-I206 HydrophobicContact CZ-CG1 3.98Å; F202-I206 WeakPolarHBondContact O-CG1 3.46Å; F202-I206 PolarHBondContact O-N 3.29Å; S203-I206 PolarHBondContact O-N 3.36Å; I206-L208 PolarHBondContact O-N 3.08Å; I206-L209 HydrophobicContact CD1-CD1 4.35Å; I206-L209 PolarHBondContact O-N 2.94Å; I206-N210 PolarHBondContact O-N 2.83Å; I206-A285 HydrophobicContact CG2-CB 4.31Å; I206-A285 VanDerWaalsContact CG2-O 3.3Å; I206-A285 WeakPolarHBondContact CG2-O 3.37Å
207S96.5Very high94.5Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-58.1-46.2171.1170.40000112.7S203 S204 Y205 L209 N210 K211 S220 D283S203-S207 PolarHBondContact O-N 2.9Å; S204-S207 WeakPolarHBondContact O-CB 3.38Å; Y205-S207 VanDerWaalsContact C-N 3.29Å; Y205-S207 PolarHBondContact O-N 3.5Å; S207-L209 VanDerWaalsContact C-N 3.35Å; S207-L209 PolarHBondContact O-N 3.34Å; S207-N210 PolarHBondContact O-N 3.21Å; S207-K211 WeakPolarHBondContact O-CG 3.26Å; S207-K211 PolarHBondContact O-N 3.48Å; S207-K211 WeakPolarHBondContact OG-CE 3.34Å; S207-K211 PolarHBondContact OG-NZ 3.5Å; S207-S220 PolarHBondContact OG-OG 3.31Å; S207-D283 VanDerWaalsContact CB-OD2 3.25Å; S207-D283 WeakPolarHBondContact CB-OD2 3.35Å; S207-D283 PolarHBondContact OG-OD1 3.35Å; S207-D283 PolarHBondContact OG-OD2 3.19Å
208L95.5Very high93.9Very high0 Ų041.1 Ų41.10%020%0.196CC..Hα-helixtrans-60.2-43.9177.7-179.9147.8000111.5C56 P147 P152 L156 S204 Y205 I206 K211 L212C56-L208 HydrophobicContact CB-CD1 4.29Å; C56-L208 HydrophobicContact CB-CD2 4.26Å; P147-L208 HydrophobicContact CB-CG 4.34Å; P152-L208 HydrophobicContact CB-CD1 4.32Å; L156-L208 HydrophobicContact CD2-CD1 4.3Å; S204-L208 WeakPolarHBondContact O-CB 3.48Å; S204-L208 PolarHBondContact O-N 2.95Å; Y205-L208 WeakPolarHBondContact O-CB 3.16Å; Y205-L208 PolarHBondContact O-N 3.41Å; I206-L208 PolarHBondContact O-N 3.08Å; L208-K211 PolarHBondContact O-N 2.58Å; L208-L212 HydrophobicContact CD2-CD1 3.58Å; L208-L212 HydrophobicContact CD2-CG 4.28Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 2.86Å
209L95.4Very high93.4Very high59 Ų5942.4 Ų42.431%0.30920%0.204SC..Hα-helixtrans-60.3-46.8175.8-67.9-179.4000111.7A53 Y205 I206 S207 K211 L212 L213A53-L209 HydrophobicContact CB-CD2 3.67Å; Y205-L209 HydrophobicContact CD1-CD1 4.32Å; Y205-L209 HydrophobicContact CD2-CG 4.41Å; Y205-L209 HydrophobicContact CE1-CD1 3.73Å; Y205-L209 HydrophobicContact CE1-CG 4.3Å; Y205-L209 HydrophobicContact CE2-CD1 4.26Å; Y205-L209 HydrophobicContact CE2-CD2 3.9Å; Y205-L209 HydrophobicContact CE2-CG 3.96Å; Y205-L209 WeakPolarHBondContact O-CG 3.12Å; Y205-L209 PolarHBondContact O-N 3.47Å; I206-L209 HydrophobicContact CD1-CD1 4.35Å; I206-L209 PolarHBondContact O-N 2.94Å; S207-L209 VanDerWaalsContact C-N 3.35Å; S207-L209 PolarHBondContact O-N 3.34Å; L209-K211 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 2.82Å; L209-L212 PolarHBondContact O-N 3.45Å; L209-L213 WeakPolarHBondContact O-CB 3.36Å; L209-L213 PolarHBondContact O-N 3.46Å
210N94Very high93Very high26 Ų2643.2 Ų43.214%0.13921%0.21CC..Hα-helixtrans-61.5-40.817717852.5000112I206 S207 L213 R214 A285I206-N210 PolarHBondContact O-N 2.83Å; S207-N210 PolarHBondContact O-N 3.21Å; N210-L213 PolarHBondContact O-N 2.94Å; N210-R214 WeakPolarHBondContact O-CB 3.21Å; N210-R214 WeakPolarHBondContact O-CG 3.23Å; N210-R214 PolarHBondContact O-N 3.35Å; N210-R214 WeakPolarHBondContact OD1-CD 3.45Å; N210-R214 PolarHBondContact OD1-NE 2.71Å; N210-A285 HydrophobicContact CB-CB 3.56Å
211K92.5Very high92.7Very high8 Ų844.3 Ų44.34%0.03522%0.216CC..Hα-helixtrans-66-40177.1-71.7168.2-172.5150.80112.2S145 P147 S207 L208 L209 R215 S216 F218 S220 D283S145-K211 PolarHBondContact O-NZ 3.43Å; P147-K211 HydrophobicContact CG-CB 3.83Å; S207-K211 WeakPolarHBondContact O-CG 3.26Å; S207-K211 PolarHBondContact O-N 3.48Å; S207-K211 WeakPolarHBondContact OG-CE 3.34Å; S207-K211 PolarHBondContact OG-NZ 3.5Å; L208-K211 PolarHBondContact O-N 2.58Å; L209-K211 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 2.82Å; K211-R215 CarbonylContact O-C 3.51Å; K211-R215 VanDerWaalsContact O-CA 3.3Å; K211-R215 WeakPolarHBondContact O-CA 3.4Å; K211-R215 PolarHBondContact O-N 3.48Å; K211-S216 PolarHBondContact O-N 3.44Å; K211-F218 VanDerWaalsContact CE-O 3.23Å; K211-F218 WeakPolarHBondContact CE-O 3.5Å; K211-S220 VanDerWaalsContact NZ-CB 3.28Å; K211-S220 PolarHBondContact NZ-OG 2.98Å; K211-D283 IonicContact NZ-OD2 3.5Å
212L92.4Very high92.5Very high33 Ų3344.6 Ų44.617%0.17322%0.219CC..Hα-helixtrans-62.3-48.3174.1-76.9175.4000111.2G49 L52 A53 P147 L208 L209 R214 R215G49-L212 WeakPolarHBondContact O-CD1 3.08Å; L52-L212 HydrophobicContact CD2-CD2 4.4Å; A53-L212 HydrophobicContact CB-CD1 3.97Å; P147-L212 HydrophobicContact CB-CD2 3.53Å; P147-L212 HydrophobicContact CB-CG 3.83Å; P147-L212 HydrophobicContact CG-CD2 4.14Å; P147-L212 HydrophobicContact CG-CG 4.3Å; L208-L212 HydrophobicContact CD2-CD1 3.58Å; L208-L212 HydrophobicContact CD2-CG 4.28Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 2.86Å; L209-L212 PolarHBondContact O-N 3.45Å; L212-R214 PolarHBondContact O-N 2.89Å; L212-R215 PolarHBondContact O-N 3.04Å
213L91.1Very high92.5Very high151 Ų15142 Ų4279%0.79121%0.207SC*.Hα-helixtrans-60.2-43.8179.6-176.964.1000112L209 N210L209-L213 WeakPolarHBondContact O-CB 3.36Å; L209-L213 PolarHBondContact O-N 3.46Å; N210-L213 PolarHBondContact O-N 2.94Å
214R88.2Confident92.4Very high81 Ų8142.9 Ų42.931%0.30621%0.214SC..Hα-helixtrans-87.1-2.2-179.4-64.4-173-174.3-124.4-3.2114.3N210 L212 S216 L273N210-R214 WeakPolarHBondContact O-CB 3.21Å; N210-R214 WeakPolarHBondContact O-CG 3.23Å; N210-R214 PolarHBondContact O-N 3.35Å; N210-R214 WeakPolarHBondContact OD1-CD 3.45Å; N210-R214 PolarHBondContact OD1-NE 2.71Å; L212-R214 PolarHBondContact O-N 2.89Å; R214-S216 PolarHBondContact O-N 2.85Å; R214-L273 VanDerWaalsContact CZ-O 3.3Å; R214-L273 PolarHBondContact NH2-O 3.35Å
215R87.5Confident92.4Very high139 Ų13942.7 Ų42.753%0.52521%0.213SC..THydrogen-bonded Turntrans52.335.9-171.1-56.9177.2173.6178.3-4.1112.7Y148 K211 L212Y148-R215 WeakPolarHBondContact OH-CA 3.41Å; K211-R215 CarbonylContact O-C 3.51Å; K211-R215 VanDerWaalsContact O-CA 3.3Å; K211-R215 WeakPolarHBondContact O-CA 3.4Å; K211-R215 PolarHBondContact O-N 3.48Å; L212-R215 PolarHBondContact O-N 3.04Å
216S85.5Confident92.4Very high36 Ų3640.7 Ų40.725%0.25221%0.205SC..  trans-80124-177.5-178.70000110.9Y148 K211 R214 F218Y148-S216 VanDerWaalsContact CE2-O 3.31Å; Y148-S216 WeakPolarHBondContact CE2-O 3.28Å; K211-S216 PolarHBondContact O-N 3.44Å; R214-S216 PolarHBondContact O-N 2.85Å; S216-F218 VanDerWaalsContact C-N 3.33Å; S216-F218 PolarHBondContact OG-N 2.91Å
217T83.7Confident92.4Very high49 Ų4938.8 Ų38.830%0.30120%0.196SC..  trans-89.2-0.7176.357.90000113.3Y148 P219Y148-T217 HydrophobicContact CD2-CG2 3.84Å; Y148-T217 HydrophobicContact CE2-CG2 3.87Å; T217-P219 WeakPolarHBondContact O-CD 3.33Å
218F85Confident92.5Very high124 Ų12439.4 Ų39.454%0.54420%0.2SC..  trans-74.1117.4179.8-71.1-78.2000110.2K211 S216K211-F218 VanDerWaalsContact CE-O 3.23Å; K211-F218 WeakPolarHBondContact CE-O 3.5Å; S216-F218 VanDerWaalsContact C-N 3.33Å; S216-F218 PolarHBondContact OG-N 2.91Å
219P87.5Confident92.7Very high27 Ų2739.4 Ų39.418%0.17520%0.2CC..  trans-72.5155.9177.930.4-33.5000110.8F8 I12 C144 S145 T217F8-P219 HydrophobicContact CE1-CG 4.1Å; I12-P219 HydrophobicContact CD1-CB 4.34Å; I12-P219 HydrophobicContact CD1-CG 3.52Å; I12-P219 HydrophobicContact CG2-CG 4.33Å; C144-P219 HydrophobicContact CB-CB 4.22Å; S145-P219 CarbonylContact O-C 3.59Å; S145-P219 WeakPolarHBondContact O-CA 3.33Å; T217-P219 WeakPolarHBondContact O-CD 3.33Å
220S89.8Confident92.8Very high18 Ų1836.6 Ų36.613%0.12619%0.185CC..BIsolated β-bridgetrans-119.2157.5168.970.30000111.9S145 S207 K211 D283S145-S220 PolarHBondContact N-O 2.96Å; S145-S220 PolarHBondContact O-N 3.21Å; S207-S220 PolarHBondContact OG-OG 3.31Å; K211-S220 VanDerWaalsContact NZ-CB 3.28Å; K211-S220 PolarHBondContact NZ-OG 2.98Å; S220-D283 WeakPolarHBondContact CB-OD2 3.46Å; S220-D283 PolarHBondContact OG-OD2 3.36Å
221L93.2Very high93Very high23 Ų2336.3 Ų36.312%0.1218%0.183CC..  trans-163153.3179.65588.4000108.3F8 S162 H163 K164 H168F8-L221 HydrophobicContact CE1-CD2 3.46Å; F8-L221 VanDerWaalsContact CE1-CD2 3.46Å; F8-L221 HydrophobicContact CE2-CD2 4.02Å; F8-L221 HydrophobicContact CZ-CD2 3.14Å; S162-L221 VanDerWaalsContact O-CD1 3.28Å; S162-L221 WeakPolarHBondContact O-CD1 3.21Å; S162-L221 VanDerWaalsContact OG-CB 3.28Å; S162-L221 WeakPolarHBondContact OG-CB 3.14Å; H163-L221 VanDerWaalsContact CA-CD1 3.45Å; K164-L221 HydrophobicContact CB-CD1 3.98Å; K164-L221 HydrophobicContact CG-CD1 4.5Å; H168-L221 PolarHBondContact CE1-O 2.88Å
222G94.6Very high93.3Very high8 Ų835.9 Ų35.98%0.08218%0.182CC..  trans136.3150.4176.200000112.7S159 S162 S224S159-G222 PolarHBondContact O-N 3.4Å; S162-G222 WeakPolarHBondContact O-CA 3.38Å; S162-G222 PolarHBondContact O-N 3Å; G222-S224 PolarHBondContact O-N 2.96Å
223A97.3Very high93.6Very high0 Ų034.3 Ų34.30%017%0.173CC..THydrogen-bonded Turntrans-70.1-11.2172.900000112.9L160 H163 N172 M173 F196 G225 G226 I227L160-A223 WeakPolarHBondContact O-CA 3.46Å; L160-A223 WeakPolarHBondContact O-CB 3.49Å; L160-A223 PolarHBondContact O-N 3.09Å; H163-A223 PolarHBondContact NE2-N 3.16Å; N172-A223 HydrophobicContact CB-CB 4.3Å; M173-A223 HydrophobicContact CE-CB 3.92Å; F196-A223 HydrophobicContact CE2-CB 4.3Å; F196-A223 HydrophobicContact CZ-CB 4.06Å; A223-G225 VanDerWaalsContact C-N 3.26Å; A223-G225 PolarHBondContact O-N 2.96Å; A223-G225 VanDerWaalsContact O-N 3.17Å; A223-G226 WeakPolarHBondContact O-CA 3.38Å; A223-G226 PolarHBondContact O-N 3.41Å; A223-I227 HydrophobicContact CB-CD1 4.09Å; A223-I227 WeakPolarHBondContact O-CG1 2.99Å; A223-I227 PolarHBondContact O-N 3.21Å
224S97.2Very high93.9Very high21 Ų2127.4 Ų27.415%0.14714%0.137CC..Hα-helixtrans-59.2-33.9-168.860.40000113.3N172 G222 G226 I227 C228 H287N172-S224 WeakPolarHBondContact OD1-CA 3.41Å; N172-S224 VanDerWaalsContact OD1-CB 3.3Å; N172-S224 WeakPolarHBondContact OD1-CB 3.46Å; N172-S224 PolarHBondContact OD1-N 2.9Å; G222-S224 PolarHBondContact O-N 2.96Å; S224-G226 PolarHBondContact O-N 3.03Å; S224-I227 PolarHBondContact O-N 3.44Å; S224-C228 VanDerWaalsContact O-CB 3.28Å; S224-C228 WeakPolarHBondContact O-CB 3.5Å; S224-C228 PolarHBondContact O-N 3.23Å; S224-C228 PolarHBondContact O-SG 3.39Å; S224-H287 WeakPolarHBondContact CB-NE2 3.37Å; S224-H287 PolarHBondContact OG-CD2 3.28Å; S224-H287 PolarHBondContact OG-NE2 2.92Å
225G97.6Very high94.4Very high5 Ų523.6 Ų23.65%0.05212%0.123CC..Hα-helixtrans-59.4-43.3173.600000113.4S203 A223 A229 G290S203-G225 WeakPolarHBondContact OG-CA 3.5Å; A223-G225 VanDerWaalsContact C-N 3.26Å; A223-G225 PolarHBondContact O-N 2.96Å; A223-G225 VanDerWaalsContact O-N 3.17Å; G225-A229 PolarHBondContact O-N 3.15Å; G225-G290 WeakPolarHBondContact O-CA 3.43Å
226G98.5Very high94.8Very high0 Ų018.5 Ų18.50%011%0.106CC..Hα-helixtrans-70.4-37.4174.300000112.3F196 A223 S224 A229 I230F196-G226 WeakPolarHBondContact O-CA 3.44Å; A223-G226 WeakPolarHBondContact O-CA 3.38Å; A223-G226 PolarHBondContact O-N 3.41Å; S224-G226 PolarHBondContact O-N 3.03Å; G226-A229 WeakPolarHBondContact O-CB 3.39Å; G226-A229 PolarHBondContact O-N 3.11Å; G226-A229 VanDerWaalsContact O-N 3.16Å; G226-I230 WeakPolarHBondContact O-CG1 3.21Å; G226-I230 PolarHBondContact O-N 2.73Å
227I98.5Very high95.4Very high6 Ų618.6 Ų18.63%0.03110%0.103CC..Hα-helixtrans-64.3-42.7175.2-64.3168000111.2N172 V175 L176 F196 A223 S224 A229 I230 I231N172-I227 HydrophobicContact CB-CD1 3.76Å; N172-I227 WeakPolarHBondContact O-CD1 3.36Å; N172-I227 WeakPolarHBondContact OD1-CD1 3.4Å; V175-I227 HydrophobicContact CB-CG2 4.24Å; V175-I227 HydrophobicContact CG1-CG2 3.51Å; L176-I227 HydrophobicContact CB-CD1 4.01Å; L176-I227 HydrophobicContact CB-CG1 3.98Å; L176-I227 HydrophobicContact CD1-CG1 4.1Å; L176-I227 HydrophobicContact CG-CG1 4.49Å; F196-I227 HydrophobicContact CE2-CG1 4.16Å; A223-I227 HydrophobicContact CB-CD1 4.09Å; A223-I227 WeakPolarHBondContact O-CG1 2.99Å; A223-I227 PolarHBondContact O-N 3.21Å; S224-I227 PolarHBondContact O-N 3.44Å; I227-A229 PolarHBondContact O-N 3.49Å; I227-I230 WeakPolarHBondContact O-CA 3.48Å; I227-I230 WeakPolarHBondContact O-CB 3.2Å; I227-I230 PolarHBondContact O-N 3.45Å; I227-I231 HydrophobicContact CG2-CD1 3.96Å; I227-I231 HydrophobicContact CG2-CG1 4.42Å; I227-I231 WeakPolarHBondContact O-CG1 3.4Å; I227-I231 PolarHBondContact O-N 2.79Å
228C98.6Very high96Very high13 Ų1320.5 Ų20.59%0.08811%0.108CC..Hα-helixtrans-57.3-38.3172.7-80.20000111.4S224 I231 G232 L291S224-C228 VanDerWaalsContact O-CB 3.28Å; S224-C228 WeakPolarHBondContact O-CB 3.5Å; S224-C228 PolarHBondContact O-N 3.23Å; S224-C228 PolarHBondContact O-SG 3.39Å; C228-I231 PolarHBondContact O-N 3.27Å; C228-G232 PolarHBondContact O-N 2.88Å; C228-L291 HydrophobicContact CB-CD2 4.35Å; C228-L291 HydrophobicContact CB-CG 3.94Å; C228-L291 WeakPolarHBondContact O-CD2 3.42Å
229A98.8Very high96.5Very high0 Ų016.8 Ų16.80%010%0.097CC..Hα-helixtrans-66.4-40.3172.500000112.9V195 G225 G226 I227 G232 A233 G290 F293 G294V195-A229 HydrophobicContact CG1-CB 4.11Å; G225-A229 PolarHBondContact O-N 3.15Å; G226-A229 WeakPolarHBondContact O-CB 3.39Å; G226-A229 PolarHBondContact O-N 3.11Å; G226-A229 VanDerWaalsContact O-N 3.16Å; I227-A229 PolarHBondContact O-N 3.49Å; A229-G232 PolarHBondContact O-N 3.12Å; A229-A233 VanDerWaalsContact O-CB 3.32Å; A229-A233 WeakPolarHBondContact O-CB 3.35Å; A229-A233 PolarHBondContact O-N 3.42Å; A229-G290 WeakPolarHBondContact CA-O 3.3Å; A229-G290 WeakPolarHBondContact CB-O 3.44Å; A229-G290 PolarHBondContact N-O 2.98Å; A229-F293 HydrophobicContact CB-CD1 4.34Å; A229-G294 WeakPolarHBondContact O-CA 3.21Å
230I98.6Very high96.9Very high1 Ų121.1 Ų21.11%0.00512%0.118CC..Hα-helixtrans-61.6-43.9173.5-66.5-58.2000111.5L176 F179 V183 F192 V195 F196 G226 I227 A233 L234L176-I230 HydrophobicContact CD1-CG1 4.35Å; F179-I230 HydrophobicContact CB-CG2 3.85Å; V183-I230 HydrophobicContact CB-CG2 4.43Å; V183-I230 HydrophobicContact CG1-CD1 4.43Å; V183-I230 HydrophobicContact CG2-CG2 3.85Å; F192-I230 HydrophobicContact CD2-CD1 3.66Å; F192-I230 HydrophobicContact CD2-CG1 4.47Å; F192-I230 HydrophobicContact CE2-CD1 3.81Å; F192-I230 HydrophobicContact CE2-CG1 4.13Å; F192-I230 HydrophobicContact CE2-CG2 4.35Å; V195-I230 HydrophobicContact CB-CD1 4.09Å; V195-I230 HydrophobicContact CG1-CD1 3.95Å; F196-I230 HydrophobicContact CB-CD1 4.08Å; F196-I230 HydrophobicContact CB-CG1 4.18Å; F196-I230 HydrophobicContact CD2-CG1 4.29Å; G226-I230 WeakPolarHBondContact O-CG1 3.21Å; G226-I230 PolarHBondContact O-N 2.73Å; I227-I230 WeakPolarHBondContact O-CA 3.48Å; I227-I230 WeakPolarHBondContact O-CB 3.2Å; I227-I230 PolarHBondContact O-N 3.45Å; I230-A233 PolarHBondContact O-N 2.91Å; I230-L234 WeakPolarHBondContact O-CB 3.47Å; I230-L234 PolarHBondContact O-N 3.45Å
231I98Very high97.1Very high19 Ų1921.6 Ų21.610%0.09712%0.123CC..Hα-helixtrans-62.6-48.7176.4-67.1167.3000110.2V175 F179 I227 C228 A233 L234 S235 I265 L291V175-I231 HydrophobicContact CG1-CD1 4.14Å; F179-I231 HydrophobicContact CD2-CD1 4.33Å; F179-I231 HydrophobicContact CD2-CG1 3.82Å; F179-I231 HydrophobicContact CE2-CD1 3.96Å; F179-I231 HydrophobicContact CE2-CG1 3.74Å; F179-I231 HydrophobicContact CG-CG1 4.35Å; F179-I231 HydrophobicContact CZ-CG1 4.16Å; I227-I231 HydrophobicContact CG2-CD1 3.96Å; I227-I231 HydrophobicContact CG2-CG1 4.42Å; I227-I231 WeakPolarHBondContact O-CG1 3.4Å; I227-I231 PolarHBondContact O-N 2.79Å; C228-I231 PolarHBondContact O-N 3.27Å; I231-A233 VanDerWaalsContact C-N 3.31Å; I231-A233 PolarHBondContact O-N 3.01Å; I231-L234 PolarHBondContact O-N 2.94Å; I231-S235 WeakPolarHBondContact O-CB 3.23Å; I231-S235 PolarHBondContact O-N 3.45Å; I231-S235 PolarHBondContact O-OG 2.85Å; I231-I265 HydrophobicContact CG2-CD1 4.44Å; I231-L291 HydrophobicContact CB-CD2 4.42Å; I231-L291 HydrophobicContact CG2-CD2 4.18Å
232G98.4Very high97.1Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-58.8-42.3178.400000112.7C228 A229 M236 G294C228-G232 PolarHBondContact O-N 2.88Å; A229-G232 PolarHBondContact O-N 3.12Å; G232-M236 WeakPolarHBondContact O-CG 3.46Å; G232-M236 PolarHBondContact O-N 2.92Å; G232-G294 VanDerWaalsContact C-C 3.4Å
233A98.4Very high96.8Very high0 Ų029.1 Ų29.10%015%0.15CC..Hα-helixtrans-64.7-51.617700000111.7V195 A229 I230 I231 S235 M236 L237 G294 Y297V195-A233 HydrophobicContact CG1-CB 4.06Å; A229-A233 VanDerWaalsContact O-CB 3.32Å; A229-A233 WeakPolarHBondContact O-CB 3.35Å; A229-A233 PolarHBondContact O-N 3.42Å; I230-A233 PolarHBondContact O-N 2.91Å; I231-A233 VanDerWaalsContact C-N 3.31Å; I231-A233 PolarHBondContact O-N 3.01Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 2.74Å; A233-M236 PolarHBondContact O-N 3.1Å; A233-L237 WeakPolarHBondContact O-CB 3.27Å; A233-L237 VanDerWaalsContact O-CG 3.24Å; A233-L237 WeakPolarHBondContact O-CG 3.16Å; A233-L237 PolarHBondContact O-N 2.86Å; A233-G294 WeakPolarHBondContact CA-O 3.46Å; A233-G294 VanDerWaalsContact N-C 3.31Å; A233-G294 PolarHBondContact N-O 3.29Å; A233-Y297 HydrophobicContact CB-CD1 3.76Å; A233-Y297 HydrophobicContact CB-CE1 4.35Å
234L97.6Very high96.4Very high6 Ų632.1 Ų32.13%0.03117%0.17CC..Hα-helixtrans-56.7-45.3178.8-179.664.3000111.5F179 V183 L186 I230 I231 M236 L237 Q238F179-L234 HydrophobicContact CD1-CD2 3.37Å; F179-L234 HydrophobicContact CE1-CD2 3.88Å; F179-L234 HydrophobicContact CG-CD2 4.43Å; V183-L234 HydrophobicContact CG2-CB 3.71Å; V183-L234 HydrophobicContact CG2-CD1 4Å; V183-L234 HydrophobicContact CG2-CD2 4.49Å; V183-L234 HydrophobicContact CG2-CG 4.27Å; L186-L234 HydrophobicContact CD1-CD1 3.45Å; L186-L234 VanDerWaalsContact CD1-CD1 3.45Å; I230-L234 WeakPolarHBondContact O-CB 3.47Å; I230-L234 PolarHBondContact O-N 3.45Å; I231-L234 PolarHBondContact O-N 2.94Å; L234-M236 PolarHBondContact O-N 3.27Å; L234-L237 PolarHBondContact O-N 2.98Å; L234-Q238 HydrophobicContact CD1-CB 4.3Å; L234-Q238 HydrophobicContact CD1-CG 4.5Å; L234-Q238 PolarHBondContact O-N 3.1Å
235S97.7Very high95.7Very high1 Ų134.8 Ų34.81%0.00719%0.185CC..Hα-helixtrans-63.7-28.6-176.9-74.70000113.8I231 A233 P239 A258I231-S235 WeakPolarHBondContact O-CB 3.23Å; I231-S235 PolarHBondContact O-N 3.45Å; I231-S235 PolarHBondContact O-OG 2.85Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 2.74Å; S235-P239 VanDerWaalsContact O-CA 3.23Å; S235-P239 WeakPolarHBondContact O-CA 3.23Å; S235-A258 VanDerWaalsContact CB-O 3.23Å; S235-A258 WeakPolarHBondContact CB-O 3.25Å; S235-A258 PolarHBondContact OG-O 3.21Å
236M97.4Very high94.8Very high32 Ų3236.9 Ų36.916%0.15820%0.198CC..Hα-helixtrans-88.4-30.4175.3-62.5-62.388.300112.4G232 A233 L234 N259 V262 M295 M299G232-M236 WeakPolarHBondContact O-CG 3.46Å; G232-M236 PolarHBondContact O-N 2.92Å; A233-M236 PolarHBondContact O-N 3.1Å; L234-M236 PolarHBondContact O-N 3.27Å; M236-N259 HydrophobicContact CE-CB 4.47Å; M236-N259 WeakPolarHBondContact CE-OD1 3.3Å; M236-V262 HydrophobicContact CE-CG1 3.52Å; M236-M295 HydrophobicContact CG-CB 3.9Å; M236-M295 HydrophobicContact CG-CG 4.05Å; M236-M295 HydrophobicContact SD-CE 4.49Å; M236-M299 HydrophobicContact CB-CG 4.14Å; M236-M299 HydrophobicContact CG-CG 3.87Å; M236-M299 HydrophobicContact SD-CG 3.91Å; M236-M299 HydrophobicContact SD-SD 4.27Å
237L96.7Very high94Very high37 Ų3743.6 Ų43.619%0.19423%0.228CC..Hα-helixtrans-76.3-30.3177-68.8169.3000113.3L186 V187 A233 L234 Y297 V302L186-L237 HydrophobicContact CD1-CB 4.3Å; V187-L237 HydrophobicContact CG1-CD1 3.55Å; A233-L237 WeakPolarHBondContact O-CB 3.27Å; A233-L237 VanDerWaalsContact O-CG 3.24Å; A233-L237 WeakPolarHBondContact O-CG 3.16Å; A233-L237 PolarHBondContact O-N 2.86Å; L234-L237 PolarHBondContact O-N 2.98Å; L237-Y297 HydrophobicContact CD1-CE1 4.26Å; L237-V302 HydrophobicContact CD2-CG2 3.76Å
238Q96.5Very high93.2Very high89 Ų8946.5 Ų46.542%0.41625%0.245SC..SBendtrans-135.369179.2-72.7-65.1-62.700109.9L186 L234 N240 A241 A258L186-Q238 HydrophobicContact CD1-CB 4.47Å; L186-Q238 HydrophobicContact CD1-CG 3.52Å; L186-Q238 HydrophobicContact CD2-CG 3.72Å; L186-Q238 HydrophobicContact CG-CG 4.27Å; L234-Q238 HydrophobicContact CD1-CB 4.3Å; L234-Q238 HydrophobicContact CD1-CG 4.5Å; L234-Q238 PolarHBondContact O-N 3.1Å; Q238-N240 PolarHBondContact O-N 3.23Å; Q238-N240 VanDerWaalsContact O-N 3.13Å; Q238-A241 HydrophobicContact CB-CB 3.91Å; Q238-A241 VanDerWaalsContact O-CB 3.28Å; Q238-A241 WeakPolarHBondContact O-CB 3.37Å; Q238-A241 PolarHBondContact O-N 2.9Å; Q238-A258 WeakPolarHBondContact O-CB 3.32Å
239P96.1Very high92.5Very high47 Ų4747.9 Ų47.931%0.30525%0.253SS..THydrogen-bonded Turntrans-59.6-30.3-174.123.6-34.4000113.6S235 A258 N259S235-P239 VanDerWaalsContact O-CA 3.23Å; S235-P239 WeakPolarHBondContact O-CA 3.23Å; P239-A258 PolarHBondContact O-N 2.93Å; P239-N259 HydrophobicContact CB-CB 3.73Å; P239-N259 PolarHBondContact O-N 3.12Å; P239-N259 VanDerWaalsContact O-N 3.09Å
240N96.2Very high91.8Very high117 Ų11754.1 Ų54.163%0.62629%0.287SS*.THydrogen-bonded Turntrans-88.6-2.3-179.6-62.3-39.2000113.8Q238 R242Q238-N240 PolarHBondContact O-N 3.23Å; Q238-N240 VanDerWaalsContact O-N 3.13Å; N240-R242 PolarHBondContact O-N 3.45Å
241A93.8Very high91.4Very high28 Ų2860.8 Ų60.823%0.23132%0.321CS..  trans-59.1136.6176.100000110.1Q238 Q257 A258Q238-A241 HydrophobicContact CB-CB 3.91Å; Q238-A241 VanDerWaalsContact O-CB 3.28Å; Q238-A241 WeakPolarHBondContact O-CB 3.37Å; Q238-A241 PolarHBondContact O-N 2.9Å; A241-Q257 CarbonylContact O-C 3.55Å; A241-Q257 WeakPolarHBondContact O-CA 3.38Å; A241-A258 HydrophobicContact CB-CB 4.1Å; A241-A258 PolarHBondContact O-N 3.31Å
242R92.5Very high90.9Very high158 Ų15865 Ų6560%0.59634%0.342SS*.EExtended strand (participates in β ladder)trans-89.8112.8-178.6-67.1-61.6-174.8157.1-0.6109.4N240 F256N240-R242 PolarHBondContact O-N 3.45Å; R242-F256 WeakPolarHBondContact CA-O 3.48Å
243L89.6Confident90.3Very high32 Ų3270.6 Ų70.617%0.16838%0.379CS..EExtended strand (participates in β ladder)trans-103146.2176-54.9-175.1000109.7F179 S255 F256 A258 A261F179-L243 HydrophobicContact CE1-CD1 4.19Å; F179-L243 HydrophobicContact CE1-CD2 3.81Å; F179-L243 HydrophobicContact CZ-CD1 4.49Å; L243-S255 CarbonylContact O-C 3.59Å; L243-S255 WeakPolarHBondContact O-CA 3.49Å; L243-F256 PolarHBondContact N-O 3.41Å; L243-F256 PolarHBondContact O-N 3Å; L243-A258 HydrophobicContact CD1-CB 3.8Å; L243-A258 HydrophobicContact CG-CB 3.98Å; L243-A261 HydrophobicContact CD1-CB 4.22Å
244C87.4Confident89.8Confident63 Ų6372.4 Ų72.443%0.42639%0.387SS..  trans-130.5157.9172.458.30000109.7P246 V249 H254C244-P246 WeakPolarHBondContact O-CD 3.43Å; C244-V249 HydrophobicContact CB-CB 3.91Å; C244-V249 HydrophobicContact CB-CG1 4.49Å; C244-V249 HydrophobicContact CB-CG2 3.8Å; C244-H254 WeakPolarHBondContact CB-O 3.31Å
245V84.1Confident89.4Confident76 Ų7674.9 Ų74.946%0.46141%0.405SS..  trans-81118.4171.8-178.30000107.7V248 V249 H254V245-V248 HydrophobicContact CB-CB 4.08Å; V245-V248 HydrophobicContact CB-CG2 4.18Å; V245-V248 HydrophobicContact CG1-CB 4.13Å; V245-V248 HydrophobicContact CG1-CG2 3.68Å; V245-V248 PolarHBondContact O-N 3.46Å; V245-V249 PolarHBondContact O-N 3.47Å; V245-V249 VanDerWaalsContact O-N 3.1Å; V245-H254 PolarHBondContact N-NE2 3.31Å
246P78.6Confident89.1Confident49 Ų4979.7 Ų79.732%0.31843%0.426SS..THydrogen-bonded Turntrans-59.8147.2-178.622.5-30.6000110.9Y174 C244 V248Y174-P246 HydrophobicContact CE1-CB 3.76Å; Y174-P246 HydrophobicContact CE1-CG 3.67Å; Y174-P246 WeakPolarHBondContact OH-CB 3.28Å; C244-P246 WeakPolarHBondContact O-CD 3.43Å; P246-V248 PolarHBondContact O-N 3.41Å
247F80.7Confident89Confident142 Ų14281.6 Ų81.662%0.62344%0.435SS*.THydrogen-bonded Turntrans67.2-29.4-172.8-45.6-74.3000115.8Y174Y174-F247 HydrophobicContact CE1-CE2 4.26Å
248V82.2Confident88.9Confident67 Ų6779.9 Ų79.941%0.40643%0.425SS..THydrogen-bonded Turntrans-77.1-36.2174.3-178.50000110.3V245 P246 D250 I251 I252V245-V248 HydrophobicContact CB-CB 4.08Å; V245-V248 HydrophobicContact CB-CG2 4.18Å; V245-V248 HydrophobicContact CG1-CB 4.13Å; V245-V248 HydrophobicContact CG1-CG2 3.68Å; V245-V248 PolarHBondContact O-N 3.46Å; P246-V248 PolarHBondContact O-N 3.41Å; V248-D250 PolarHBondContact O-N 3.38Å; V248-I251 PolarHBondContact O-N 2.83Å; V248-I251 VanDerWaalsContact O-N 3.12Å; V248-I252 PolarHBondContact O-N 3.42Å
249V84Confident88.9Confident41 Ų4178.3 Ų78.325%0.24842%0.42CS..THydrogen-bonded Turntrans-61.3-30.3179.8700000113.2C244 V245 I251 I252C244-V249 HydrophobicContact CB-CB 3.91Å; C244-V249 HydrophobicContact CB-CG1 4.49Å; C244-V249 HydrophobicContact CB-CG2 3.8Å; V245-V249 PolarHBondContact O-N 3.47Å; V245-V249 VanDerWaalsContact O-N 3.1Å; V249-I251 VanDerWaalsContact C-N 3.26Å; V249-I251 PolarHBondContact O-N 2.84Å; V249-I252 WeakPolarHBondContact CA-O 3.45Å; V249-I252 CarbonylContact O-C 3.43Å
250D82.9Confident88.9Confident132 Ų13278.8 Ų78.871%0.70642%0.424SS*.THydrogen-bonded Turntrans-71.8-22.5179.2-56.5-48000112.4V248V248-D250 PolarHBondContact O-N 3.38Å
251I90.4Very high88.9Confident140 Ų14073.9 Ų73.972%0.71840%0.4SS*.THydrogen-bonded Turntrans-97.4-44.4177.6-55.5174000110.2V248 V249V248-I251 PolarHBondContact O-N 2.83Å; V248-I251 VanDerWaalsContact O-N 3.12Å; V249-I251 VanDerWaalsContact C-N 3.26Å; V249-I251 PolarHBondContact O-N 2.84Å
252I88.6Confident89Confident107 Ų10772.5 Ų72.555%0.54939%0.389SS..SBendtrans-129.1102-177.8-54.8178000107.6V248 V249 H254V248-I252 PolarHBondContact O-N 3.42Å; V249-I252 WeakPolarHBondContact CA-O 3.45Å; V249-I252 CarbonylContact O-C 3.43Å; I252-H254 PolarHBondContact O-N 3.4Å; I252-H254 VanDerWaalsContact O-N 3.1Å; I252-H254 PolarHBondContact O-ND1 3.48Å
253P85.6Confident89.3Confident118 Ų11871.2 Ų71.277%0.76638%0.384SS*.  trans-58.4117.4175.8-25.334.7000110.7
254H86.5Confident89.6Confident39 Ų3974.2 Ų74.218%0.18140%0.399CS..  trans-148.4153.2178.765.1-87.8000110C244 V245 I252 F256C244-H254 WeakPolarHBondContact CB-O 3.31Å; V245-H254 PolarHBondContact N-NE2 3.31Å; I252-H254 PolarHBondContact O-N 3.4Å; I252-H254 VanDerWaalsContact O-N 3.1Å; I252-H254 PolarHBondContact O-ND1 3.48Å; H254-F256 HydrophobicContact CB-CZ 4.39Å; H254-F256 AromaticContact CD2-CD2 3.97Å; H254-F256 AromaticContact CD2-CE2 3.21Å; H254-F256 WeakPolarHBondContact CD2-CE2 3.17Å; H254-F256 AromaticContact CD2-CZ 3.67Å; H254-F256 AromaticContact NE2-CE2 3.87Å
255S89.6Confident90Very high58 Ų5874 Ų7441%0.40639%0.394SS..  trans-149.9142.7168.567.50000111.1L243L243-S255 CarbonylContact O-C 3.59Å; L243-S255 WeakPolarHBondContact O-CA 3.49Å
256F91.4Very high90.7Very high101 Ų10171.3 Ų71.344%0.44338%0.376SS..EExtended strand (participates in β ladder)trans-119.2149.4178.3-48.4-71.8000109.2R242 L243 H254R242-F256 WeakPolarHBondContact CA-O 3.48Å; L243-F256 PolarHBondContact N-O 3.41Å; L243-F256 PolarHBondContact O-N 3Å; H254-F256 HydrophobicContact CB-CZ 4.39Å; H254-F256 AromaticContact CD2-CD2 3.97Å; H254-F256 AromaticContact CD2-CE2 3.21Å; H254-F256 WeakPolarHBondContact CD2-CE2 3.17Å; H254-F256 AromaticContact CD2-CZ 3.67Å; H254-F256 AromaticContact NE2-CE2 3.87Å
257Q95.4Very high91.6Very high73 Ų7372.4 Ų72.434%0.34139%0.385SS..EExtended strand (participates in β ladder)trans-67.2138.4169.8-68.8-178.217.500109.7A241 N259 S260 A261A241-Q257 CarbonylContact O-C 3.55Å; A241-Q257 WeakPolarHBondContact O-CA 3.38Å; Q257-N259 PolarHBondContact O-N 2.91Å; Q257-S260 PolarHBondContact O-N 3.1Å; Q257-S260 VanDerWaalsContact O-N 3.12Å; Q257-A261 WeakPolarHBondContact O-CB 2.93Å; Q257-A261 PolarHBondContact O-N 3.11Å
258A95.5Very high92.4Very high0 Ų070.6 Ų70.60%038%0.381CS..Hα-helixtrans-58.7-34.3-178.300000112.3S235 Q238 P239 A241 L243 A261 V262S235-A258 VanDerWaalsContact CB-O 3.23Å; S235-A258 WeakPolarHBondContact CB-O 3.25Å; S235-A258 PolarHBondContact OG-O 3.21Å; Q238-A258 WeakPolarHBondContact O-CB 3.32Å; P239-A258 PolarHBondContact O-N 2.93Å; A241-A258 HydrophobicContact CB-CB 4.1Å; A241-A258 PolarHBondContact O-N 3.31Å; L243-A258 HydrophobicContact CD1-CB 3.8Å; L243-A258 HydrophobicContact CG-CB 3.98Å; A258-A261 PolarHBondContact O-N 3.46Å; A258-V262 PolarHBondContact O-N 2.97Å
259N96Very high93.2Very high57 Ų5768.3 Ų68.331%0.30537%0.366SS..Hα-helixtrans-62-51.5173.8-175.340.8000112M236 P239 Q257 A261 V262 W263M236-N259 HydrophobicContact CE-CB 4.47Å; M236-N259 WeakPolarHBondContact CE-OD1 3.3Å; P239-N259 HydrophobicContact CB-CB 3.73Å; P239-N259 PolarHBondContact O-N 3.12Å; P239-N259 VanDerWaalsContact O-N 3.09Å; Q257-N259 PolarHBondContact O-N 2.91Å; N259-A261 VanDerWaalsContact C-N 3.31Å; N259-A261 PolarHBondContact O-N 3.48Å; N259-V262 WeakPolarHBondContact O-CG1 3.5Å; N259-V262 PolarHBondContact O-N 3.45Å; N259-W263 PolarHBondContact O-N 3.44Å; N259-W263 PolarHBondContact OD1-NE1 3.25Å
260S96.1Very high93.8Very high56 Ų5670 Ų7039%0.39237%0.373SS..Hα-helixtrans-62.1-41.7177-52.70000111.6Q257 V262 W263 I264Q257-S260 PolarHBondContact O-N 3.1Å; Q257-S260 VanDerWaalsContact O-N 3.12Å; S260-V262 PolarHBondContact O-N 3.27Å; S260-W263 PolarHBondContact O-N 3.32Å; S260-I264 VanDerWaalsContact O-CG1 3.29Å; S260-I264 WeakPolarHBondContact O-CG1 3.41Å; S260-I264 PolarHBondContact O-N 2.9Å
261A95Very high94.5Very high14 Ų1469 Ų6912%0.11636%0.362CS..Hα-helixtrans-60.4-44.7179.900000112.1L243 Q257 A258 N259 W263 I264 I265L243-A261 HydrophobicContact CD1-CB 4.22Å; Q257-A261 WeakPolarHBondContact O-CB 2.93Å; Q257-A261 PolarHBondContact O-N 3.11Å; A258-A261 PolarHBondContact O-N 3.46Å; N259-A261 VanDerWaalsContact C-N 3.31Å; N259-A261 PolarHBondContact O-N 3.48Å; A261-W263 PolarHBondContact O-N 3.14Å; A261-I264 PolarHBondContact O-N 3.48Å; A261-I265 WeakPolarHBondContact O-CG1 3.34Å; A261-I265 PolarHBondContact O-N 3.47Å
262V97.2Very high94.7Very high0 Ų062.4 Ų62.40%033%0.329CS..Hα-helixtrans-65.8-38.8-178.7700000112.2M236 A258 N259 S260 I265 L266 L291 M295M236-V262 HydrophobicContact CE-CG1 3.52Å; A258-V262 PolarHBondContact O-N 2.97Å; N259-V262 WeakPolarHBondContact O-CG1 3.5Å; N259-V262 PolarHBondContact O-N 3.45Å; S260-V262 PolarHBondContact O-N 3.27Å; V262-I265 PolarHBondContact O-N 2.95Å; V262-L266 VanDerWaalsContact O-CB 3.27Å; V262-L266 WeakPolarHBondContact O-CB 3.32Å; V262-L266 PolarHBondContact O-N 3.01Å; V262-L291 HydrophobicContact CG2-CD2 3.94Å; V262-M295 HydrophobicContact CG1-CE 4.4Å; V262-M295 HydrophobicContact CG2-CG 3.88Å; V262-M295 HydrophobicContact CG2-SD 3.81Å
263W97.8Very high95Very high130 Ų13058.9 Ų58.949%0.49231%0.311SS..Hα-helixtrans-67.8-37.3177.1-75.5110.9000112.1N259 S260 A261 L266 S267 M295N259-W263 PolarHBondContact O-N 3.44Å; N259-W263 PolarHBondContact OD1-NE1 3.25Å; S260-W263 PolarHBondContact O-N 3.32Å; A261-W263 PolarHBondContact O-N 3.14Å; W263-L266 HydrophobicContact CE3-CD2 4.07Å; W263-L266 HydrophobicContact CZ3-CD2 3.96Å; W263-S267 VanDerWaalsContact O-CB 3.32Å; W263-S267 WeakPolarHBondContact O-CB 3.49Å; W263-S267 PolarHBondContact O-N 3.38Å; W263-S267 PolarHBondContact O-OG 3.42Å; W263-M295 HydrophobicContact CD2-CE 4.01Å; W263-M295 HydrophobicContact CE3-CE 4.15Å; W263-M295 HydrophobicContact CH2-CE 3.69Å; W263-M295 HydrophobicContact CZ2-CE 3.51Å; W263-M295 HydrophobicContact CZ3-CE 4Å
264I96.7Very high95.4Very high96 Ų9657 Ų5749%0.49230%0.297SS..Hα-helixtrans-64.8-49.4173.8-69.1166.5000110.5S260 A261 L266 S267 I268S260-I264 VanDerWaalsContact O-CG1 3.29Å; S260-I264 WeakPolarHBondContact O-CG1 3.41Å; S260-I264 PolarHBondContact O-N 2.9Å; A261-I264 PolarHBondContact O-N 3.48Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-L266 PolarHBondContact O-N 2.86Å; I264-S267 WeakPolarHBondContact O-CB 3.11Å; I264-S267 PolarHBondContact O-N 3.12Å; I264-I268 HydrophobicContact CG2-CD1 3.86Å; I264-I268 WeakPolarHBondContact O-CG1 3.23Å; I264-I268 PolarHBondContact O-N 3.4Å
265I96.5Very high95.8Very high59 Ų5961.7 Ų61.730%0.30332%0.317SS..Hα-helixtrans-59.7-46.8178.3-63.7164.2000109.7I231 A261 V262 S267 I268 E269 L291I231-I265 HydrophobicContact CG2-CD1 4.44Å; A261-I265 WeakPolarHBondContact O-CG1 3.34Å; A261-I265 PolarHBondContact O-N 3.47Å; V262-I265 PolarHBondContact O-N 2.95Å; I265-S267 VanDerWaalsContact C-N 3.3Å; I265-S267 PolarHBondContact O-N 3.13Å; I265-I268 PolarHBondContact O-N 2.8Å; I265-E269 HydrophobicContact CG2-CG 4.32Å; I265-E269 WeakPolarHBondContact O-CG 3.41Å; I265-E269 PolarHBondContact O-N 3.22Å; I265-L291 HydrophobicContact CB-CD1 4.43Å; I265-L291 HydrophobicContact CG2-CD1 3.63Å; I265-L291 HydrophobicContact CG2-CD2 4.33Å
266L98.2Very high95.8Very high18 Ų1862.4 Ų62.49%0.09432%0.316CS..Hα-helixtrans-59.3-42.7177.5-179.960.9000111.3V262 W263 I264 I268 E269 I270 A288 L291 V292 M295V262-L266 VanDerWaalsContact O-CB 3.27Å; V262-L266 WeakPolarHBondContact O-CB 3.32Å; V262-L266 PolarHBondContact O-N 3.01Å; W263-L266 HydrophobicContact CE3-CD2 4.07Å; W263-L266 HydrophobicContact CZ3-CD2 3.96Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-L266 PolarHBondContact O-N 2.86Å; L266-I268 PolarHBondContact O-N 2.49Å; L266-E269 PolarHBondContact O-N 3.44Å; L266-I270 HydrophobicContact CD1-CG1 4.16Å; L266-I270 HydrophobicContact CG-CG1 4.39Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.47Å; L266-I270 PolarHBondContact O-N 3.01Å; L266-A288 HydrophobicContact CD1-CB 4.1Å; L266-L291 HydrophobicContact CB-CD1 4.4Å; L266-L291 HydrophobicContact CD1-CB 4.35Å; L266-L291 HydrophobicContact CD1-CD1 4.45Å; L266-V292 HydrophobicContact CD1-CG2 3.95Å; L266-V292 HydrophobicContact CD2-CG2 4.26Å; L266-M295 HydrophobicContact CD2-CE 4.26Å; L266-M295 HydrophobicContact CD2-SD 4Å
267S98.1Very high95.5Very high73 Ų7358.8 Ų58.851%0.5130%0.303SS..Hα-helixtrans-63-41.9178-600000112.1W263 I264 I265 I270 F271W263-S267 VanDerWaalsContact O-CB 3.32Å; W263-S267 WeakPolarHBondContact O-CB 3.49Å; W263-S267 PolarHBondContact O-N 3.38Å; W263-S267 PolarHBondContact O-OG 3.42Å; I264-S267 WeakPolarHBondContact O-CB 3.11Å; I264-S267 PolarHBondContact O-N 3.12Å; I265-S267 VanDerWaalsContact C-N 3.3Å; I265-S267 PolarHBondContact O-N 3.13Å; S267-I270 PolarHBondContact O-N 3.3Å; S267-F271 VanDerWaalsContact O-CB 3.32Å; S267-F271 WeakPolarHBondContact O-CB 3.37Å; S267-F271 PolarHBondContact O-N 3.02Å
268I96.9Very high94.8Very high103 Ų10365.7 Ų65.753%0.52833%0.326SS..Hα-helixtrans-63.2-42.8174.4-68.1167.2000110.7I264 I265 L266 F271 G272I264-I268 HydrophobicContact CG2-CD1 3.86Å; I264-I268 WeakPolarHBondContact O-CG1 3.23Å; I264-I268 PolarHBondContact O-N 3.4Å; I265-I268 PolarHBondContact O-N 2.8Å; L266-I268 PolarHBondContact O-N 2.49Å; I268-F271 PolarHBondContact O-N 2.81Å; I268-G272 PolarHBondContact O-N 2.91Å
269E97.7Very high94.2Very high20 Ų2076.7 Ų76.79%0.09337%0.367CS..Hα-helixtrans-67.1-39.2178-67.7-64.1173.500111.8I265 L266 G272 L273 H284 H287 A288 L291I265-E269 HydrophobicContact CG2-CG 4.32Å; I265-E269 WeakPolarHBondContact O-CG 3.41Å; I265-E269 PolarHBondContact O-N 3.22Å; L266-E269 PolarHBondContact O-N 3.44Å; E269-G272 PolarHBondContact O-N 3.19Å; E269-L273 WeakPolarHBondContact O-CB 3.2Å; E269-L273 PolarHBondContact O-N 3.21Å; E269-H284 WeakPolarHBondContact O-CB 3.49Å; E269-H284 VanDerWaalsContact OE2-CA 3.3Å; E269-H284 WeakPolarHBondContact OE2-CA 3.32Å; E269-H284 IonicContact OE2-CE1 2.78Å; E269-H284 IonicContact OE2-CG 3.72Å; E269-H284 IonicContact OE2-ND1 3.12Å; E269-H284 PolarHBondContact OE2-ND1 2.9Å; E269-H287 HydrophobicContact CG-CB 3.81Å; E269-H287 WeakPolarHBondContact OE1-CB 3.32Å; E269-H287 IonicContact OE1-CE1 3.78Å; E269-H287 IonicContact OE1-CG 3.7Å; E269-H287 IonicContact OE1-ND1 2.7Å; E269-H287 PolarHBondContact OE1-ND1 3.04Å; E269-H287 WeakPolarHBondContact OE2-CB 3.28Å; E269-H287 IonicContact OE2-CG 3.33Å; E269-H287 IonicContact OE2-ND1 3.64Å; E269-H287 PolarHBondContact OE2-ND1 3.31Å; E269-A288 HydrophobicContact CB-CB 4.11Å; E269-L291 HydrophobicContact CG-CD1 4.04Å
270I97.7Very high93.6Very high76 Ų7675.7 Ų75.739%0.3937%0.365SS..Hα-helixtrans-66.7-42.7174-66.5-61000111.1L266 S267 L273 V274 A288L266-I270 HydrophobicContact CD1-CG1 4.16Å; L266-I270 HydrophobicContact CG-CG1 4.39Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.47Å; L266-I270 PolarHBondContact O-N 3.01Å; S267-I270 PolarHBondContact O-N 3.3Å; I270-L273 HydrophobicContact CD1-CD2 4.41Å; I270-L273 WeakPolarHBondContact O-CB 3.49Å; I270-L273 PolarHBondContact O-N 3.39Å; I270-V274 HydrophobicContact CG2-CG2 4.43Å; I270-V274 WeakPolarHBondContact O-CG2 3.4Å; I270-V274 PolarHBondContact O-N 2.95Å; I270-A288 HydrophobicContact CD1-CB 3.98Å
271F97.4Very high93.1Very high112 Ų11275.1 Ų75.149%0.49136%0.364SS..Hα-helixtrans-60-48174.3-179.6-89.9000111.2S267 I268 L273 V274 F275 L276S267-F271 VanDerWaalsContact O-CB 3.32Å; S267-F271 WeakPolarHBondContact O-CB 3.37Å; S267-F271 PolarHBondContact O-N 3.02Å; I268-F271 PolarHBondContact O-N 2.81Å; F271-L273 VanDerWaalsContact C-N 3.31Å; F271-L273 PolarHBondContact O-N 3.02Å; F271-V274 PolarHBondContact O-N 3.5Å; F271-F275 HydrophobicContact CD1-CD2 4.43Å; F271-F275 AromaticContact CD2-CD2 3.39Å; F271-F275 HydrophobicContact CD2-CD2 3.39Å; F271-F275 AromaticContact CD2-CE2 3.67Å; F271-F275 HydrophobicContact CD2-CE2 3.67Å; F271-F275 HydrophobicContact CD2-CG 4.46Å; F271-F275 HydrophobicContact CE1-CB 4.47Å; F271-F275 HydrophobicContact CE1-CD2 4.47Å; F271-F275 AromaticContact CE2-CD2 3.45Å; F271-F275 HydrophobicContact CE2-CD2 3.45Å; F271-F275 VanDerWaalsContact CE2-CD2 3.45Å; F271-F275 AromaticContact CE2-CE2 3.81Å; F271-F275 HydrophobicContact CE2-CE2 3.81Å; F271-F275 HydrophobicContact CE2-CG 4.17Å; F271-F275 AromaticContact CG-CD2 3.91Å; F271-F275 HydrophobicContact CG-CD2 3.91Å; F271-F275 HydrophobicContact CZ-CB 4.37Å; F271-F275 HydrophobicContact CZ-CD2 4.02Å; F271-F275 HydrophobicContact CZ-CG 4.37Å; F271-F275 WeakPolarHBondContact O-CD2 3.43Å; F271-F275 PolarHBondContact O-N 3.07Å; F271-L276 HydrophobicContact CD1-CD1 4.39Å; F271-L276 HydrophobicContact CE1-CD1 4.16Å; F271-L276 HydrophobicContact CE1-CG 4.35Å
272G95.6Very high92.7Very high1 Ų178.5 Ų78.51%0.0138%0.38CS..Iπ-helixtrans-60.4-40.8175.500000112.2I268 E269 L276 S277 H284I268-G272 PolarHBondContact O-N 2.91Å; E269-G272 PolarHBondContact O-N 3.19Å; G272-L276 CarbonylContact O-C 3.31Å; G272-L276 VanDerWaalsContact O-C 3.31Å; G272-L276 VanDerWaalsContact O-CA 3.31Å; G272-L276 WeakPolarHBondContact O-CA 3.27Å; G272-L276 WeakPolarHBondContact O-CB 3.45Å; G272-L276 PolarHBondContact O-N 2.93Å; G272-S277 PolarHBondContact O-N 3.29Å; G272-S277 PolarHBondContact O-OG 3.46Å; G272-H284 PolarHBondContact O-CD2 3.23Å
273L94.2Very high92.5Very high32 Ų3279.9 Ų79.917%0.16839%0.387CS..Iπ-helixtrans-59.7-53.9175.2175.456.1000110.5R214 E269 I270 F271 S277 H284 A285R214-L273 VanDerWaalsContact CZ-O 3.3Å; R214-L273 PolarHBondContact NH2-O 3.35Å; E269-L273 WeakPolarHBondContact O-CB 3.2Å; E269-L273 PolarHBondContact O-N 3.21Å; I270-L273 HydrophobicContact CD1-CD2 4.41Å; I270-L273 WeakPolarHBondContact O-CB 3.49Å; I270-L273 PolarHBondContact O-N 3.39Å; F271-L273 VanDerWaalsContact C-N 3.31Å; F271-L273 PolarHBondContact O-N 3.02Å; L273-S277 VanDerWaalsContact CA-OG 3.28Å; L273-S277 WeakPolarHBondContact CA-OG 3.38Å; L273-S277 WeakPolarHBondContact O-CB 3.38Å; L273-S277 PolarHBondContact O-OG 3.44Å; L273-H284 HydrophobicContact CB-CB 3.91Å; L273-A285 HydrophobicContact CD1-CB 3.76Å; L273-A285 HydrophobicContact CD2-CB 4.47Å
274V94.8Very high92.5Very high78 Ų7874.3 Ų74.347%0.47337%0.366SS..Iπ-helixtrans-66.9-53.9-176.1175.70000111.1I270 F271I270-V274 HydrophobicContact CG2-CG2 4.43Å; I270-V274 WeakPolarHBondContact O-CG2 3.4Å; I270-V274 PolarHBondContact O-N 2.95Å; F271-V274 PolarHBondContact O-N 3.5Å
275F93.8Very high92.5Very high139 Ų13969.8 Ų69.861%0.6134%0.343SS*.Iπ-helixtrans-99-30-166.1-58.9-74.5000114.6F271F271-F275 HydrophobicContact CD1-CD2 4.43Å; F271-F275 AromaticContact CD2-CD2 3.39Å; F271-F275 HydrophobicContact CD2-CD2 3.39Å; F271-F275 AromaticContact CD2-CE2 3.67Å; F271-F275 HydrophobicContact CD2-CE2 3.67Å; F271-F275 HydrophobicContact CD2-CG 4.46Å; F271-F275 HydrophobicContact CE1-CB 4.47Å; F271-F275 HydrophobicContact CE1-CD2 4.47Å; F271-F275 AromaticContact CE2-CD2 3.45Å; F271-F275 HydrophobicContact CE2-CD2 3.45Å; F271-F275 VanDerWaalsContact CE2-CD2 3.45Å; F271-F275 AromaticContact CE2-CE2 3.81Å; F271-F275 HydrophobicContact CE2-CE2 3.81Å; F271-F275 HydrophobicContact CE2-CG 4.17Å; F271-F275 AromaticContact CG-CD2 3.91Å; F271-F275 HydrophobicContact CG-CD2 3.91Å; F271-F275 HydrophobicContact CZ-CB 4.37Å; F271-F275 HydrophobicContact CZ-CD2 4.02Å; F271-F275 HydrophobicContact CZ-CG 4.37Å; F271-F275 WeakPolarHBondContact O-CD2 3.43Å; F271-F275 PolarHBondContact O-N 3.07Å
276L90.4Very high92.5Very high72 Ų7267.3 Ų67.338%0.37733%0.331SS..Iπ-helixtrans-111.6-9.8-169.4-56.3179.6000114.8F271 G272 R278 R279 S280F271-L276 HydrophobicContact CD1-CD1 4.39Å; F271-L276 HydrophobicContact CE1-CD1 4.16Å; F271-L276 HydrophobicContact CE1-CG 4.35Å; G272-L276 CarbonylContact O-C 3.31Å; G272-L276 VanDerWaalsContact O-C 3.31Å; G272-L276 VanDerWaalsContact O-CA 3.31Å; G272-L276 WeakPolarHBondContact O-CA 3.27Å; G272-L276 WeakPolarHBondContact O-CB 3.45Å; G272-L276 PolarHBondContact O-N 2.93Å; L276-R278 PolarHBondContact O-N 3.37Å; L276-R279 CarbonylContact O-C 3.58Å; L276-R279 PolarHBondContact O-N 3Å; L276-S280 WeakPolarHBondContact O-CB 3.46Å; L276-S280 PolarHBondContact O-N 2.9Å
277S84Confident92.5Very high26 Ų2667.3 Ų67.318%0.18233%0.331CS..THydrogen-bonded Turntrans-51.3-31-173.1-77.50000115.9G272 L273G272-S277 PolarHBondContact O-N 3.29Å; G272-S277 PolarHBondContact O-OG 3.46Å; L273-S277 VanDerWaalsContact CA-OG 3.28Å; L273-S277 WeakPolarHBondContact CA-OG 3.38Å; L273-S277 WeakPolarHBondContact O-CB 3.38Å; L273-S277 PolarHBondContact O-OG 3.44Å
278R81.8Confident92.5Very high218 Ų21864.1 Ų64.182%0.82331%0.309SS*.THydrogen-bonded Turntrans-77.9-21.2178.7-72.8-175.8178.4154.80.4113.5L276L276-R278 PolarHBondContact O-N 3.37Å
279R81.5Confident92.6Very high230 Ų23059.4 Ų59.487%0.86829%0.286SS*.THydrogen-bonded Turntrans-110.2-22.5-176-63.3-179.6179.6168.2-0.5112.5L276L276-R279 CarbonylContact O-C 3.58Å; L276-R279 PolarHBondContact O-N 3Å
280S84.8Confident92.6Very high37 Ų3758.5 Ų58.526%0.25928%0.282SS..  trans-74.7141.4-178.2-172.30000111.8L276 L282 H284L276-S280 WeakPolarHBondContact O-CB 3.46Å; L276-S280 PolarHBondContact O-N 2.9Å; S280-L282 VanDerWaalsContact C-N 3.26Å; S280-L282 PolarHBondContact OG-N 2.93Å; S280-L282 VanDerWaalsContact OG-N 3.09Å; S280-H284 VanDerWaalsContact CB-NE2 3.28Å; S280-H284 WeakPolarHBondContact CB-NE2 3.36Å; S280-H284 PolarHBondContact OG-NE2 3.27Å
281A84.3Confident92.7Very high44 Ų4454.9 Ų54.936%0.36426%0.263SS..SBendtrans-85.4-1.6169.600000112.8M1 K164M1-A281 HydrophobicContact CE-CB 4.21Å; K164-A281 PolarHBondContact NZ-O 3.46Å
282L88.1Confident92.7Very high85 Ų8552.2 Ų52.245%0.44526%0.256SS..SBendtrans-101.4147.1179.2-58.6178.1000110.5S280 H284S280-L282 VanDerWaalsContact C-N 3.26Å; S280-L282 PolarHBondContact OG-N 2.93Å; S280-L282 VanDerWaalsContact OG-N 3.09Å; L282-H284 PolarHBondContact O-N 3.48Å
283D93.1Very high92.9Very high29 Ų2953.7 Ų53.716%0.15526%0.262CS..  trans-92.279.3176.4-166.6-15.9000110S207 K211 S220 A285 A286 H287S207-D283 VanDerWaalsContact CB-OD2 3.25Å; S207-D283 WeakPolarHBondContact CB-OD2 3.35Å; S207-D283 PolarHBondContact OG-OD1 3.35Å; S207-D283 PolarHBondContact OG-OD2 3.19Å; K211-D283 IonicContact NZ-OD2 3.5Å; S220-D283 WeakPolarHBondContact CB-OD2 3.46Å; S220-D283 PolarHBondContact OG-OD2 3.36Å; D283-A285 PolarHBondContact O-N 3.13Å; D283-A286 HydrophobicContact CB-CB 3.83Å; D283-A286 VanDerWaalsContact CG-CB 3.47Å; D283-A286 WeakPolarHBondContact O-CA 3.29Å; D283-A286 WeakPolarHBondContact O-CB 3.4Å; D283-A286 PolarHBondContact O-N 3.06Å; D283-A286 PolarHBondContact OD1-N 3.15Å; D283-H287 PolarHBondContact O-N 3.24Å
284H96Very high93.1Very high12 Ų1252.2 Ų52.26%0.05625%0.254CS..Hα-helixtrans-58.3-32-176.6-67.3-62.4000113.4E269 G272 L273 S280 L282 A288E269-H284 WeakPolarHBondContact O-CB 3.49Å; E269-H284 VanDerWaalsContact OE2-CA 3.3Å; E269-H284 WeakPolarHBondContact OE2-CA 3.32Å; E269-H284 IonicContact OE2-CE1 2.78Å; E269-H284 IonicContact OE2-CG 3.72Å; E269-H284 IonicContact OE2-ND1 3.12Å; E269-H284 PolarHBondContact OE2-ND1 2.9Å; G272-H284 PolarHBondContact O-CD2 3.23Å; L273-H284 HydrophobicContact CB-CB 3.91Å; S280-H284 VanDerWaalsContact CB-NE2 3.28Å; S280-H284 WeakPolarHBondContact CB-NE2 3.36Å; S280-H284 PolarHBondContact OG-NE2 3.27Å; L282-H284 PolarHBondContact O-N 3.48Å; H284-A288 VanDerWaalsContact O-CB 3.3Å; H284-A288 WeakPolarHBondContact O-CB 3.32Å; H284-A288 PolarHBondContact O-N 3.07Å
285A96.8Very high93.2Very high1 Ų148.9 Ų48.91%0.00823%0.234CC..Hα-helixtrans-65.9-44174.300000111.5I206 N210 L273 D283 G289I206-A285 HydrophobicContact CG2-CB 4.31Å; I206-A285 VanDerWaalsContact CG2-O 3.3Å; I206-A285 WeakPolarHBondContact CG2-O 3.37Å; N210-A285 HydrophobicContact CB-CB 3.56Å; L273-A285 HydrophobicContact CD1-CB 3.76Å; L273-A285 HydrophobicContact CD2-CB 4.47Å; D283-A285 PolarHBondContact O-N 3.13Å; A285-G289 PolarHBondContact O-N 2.85Å
286A97.2Very high93.4Very high7 Ų746.9 Ų46.96%0.05823%0.229CC..Hα-helixtrans-59.1-50.917500000110.8S203 D283 G289 G290S203-A286 WeakPolarHBondContact CB-O 3.44Å; S203-A286 VanDerWaalsContact OG-CA 3.26Å; S203-A286 WeakPolarHBondContact OG-CA 3.3Å; S203-A286 WeakPolarHBondContact OG-CB 3.18Å; S203-A286 PolarHBondContact OG-O 3.45Å; D283-A286 HydrophobicContact CB-CB 3.83Å; D283-A286 VanDerWaalsContact CG-CB 3.47Å; D283-A286 WeakPolarHBondContact O-CA 3.29Å; D283-A286 WeakPolarHBondContact O-CB 3.4Å; D283-A286 PolarHBondContact O-N 3.06Å; D283-A286 PolarHBondContact OD1-N 3.15Å; A286-G289 PolarHBondContact O-N 3.26Å; A286-G290 PolarHBondContact O-N 3.34Å
287H98Very high93.8Very high19 Ų1943.9 Ų43.99%0.08821%0.213CC..Hα-helixtrans-62.9-46.9-176.7-64.5177.6000112S224 E269 D283 G289 G290 L291S224-H287 WeakPolarHBondContact CB-NE2 3.37Å; S224-H287 PolarHBondContact OG-CD2 3.28Å; S224-H287 PolarHBondContact OG-NE2 2.92Å; E269-H287 HydrophobicContact CG-CB 3.81Å; E269-H287 WeakPolarHBondContact OE1-CB 3.32Å; E269-H287 IonicContact OE1-CE1 3.78Å; E269-H287 IonicContact OE1-CG 3.7Å; E269-H287 IonicContact OE1-ND1 2.7Å; E269-H287 PolarHBondContact OE1-ND1 3.04Å; E269-H287 WeakPolarHBondContact OE2-CB 3.28Å; E269-H287 IonicContact OE2-CG 3.33Å; E269-H287 IonicContact OE2-ND1 3.64Å; E269-H287 PolarHBondContact OE2-ND1 3.31Å; D283-H287 PolarHBondContact O-N 3.24Å; H287-G289 PolarHBondContact O-N 3.33Å; H287-G290 PolarHBondContact O-N 3.47Å; H287-L291 WeakPolarHBondContact O-CG 3.48Å; H287-L291 PolarHBondContact O-N 3.31Å
288A98.4Very high94.4Very high5 Ų543.1 Ų43.14%0.04121%0.209CC..Hα-helixtrans-59.7-44.8175.500000111.8L266 E269 I270 H284 G290 L291 V292L266-A288 HydrophobicContact CD1-CB 4.1Å; E269-A288 HydrophobicContact CB-CB 4.11Å; I270-A288 HydrophobicContact CD1-CB 3.98Å; H284-A288 VanDerWaalsContact O-CB 3.3Å; H284-A288 WeakPolarHBondContact O-CB 3.32Å; H284-A288 PolarHBondContact O-N 3.07Å; A288-G290 PolarHBondContact O-N 3.28Å; A288-L291 PolarHBondContact O-N 3.49Å; A288-V292 WeakPolarHBondContact O-CB 3.3Å; A288-V292 VanDerWaalsContact O-CG2 3.32Å; A288-V292 WeakPolarHBondContact O-CG2 3.21Å; A288-V292 PolarHBondContact O-N 3.48Å
289G98.6Very high95Very high5 Ų537.9 Ų37.95%0.05220%0.195CC..Hα-helixtrans-61.3-41.617700000112.9F202 A285 A286 H287 F293F202-G289 WeakPolarHBondContact CD1-O 3.29Å; A285-G289 PolarHBondContact O-N 2.85Å; A286-G289 PolarHBondContact O-N 3.26Å; H287-G289 PolarHBondContact O-N 3.33Å; G289-F293 WeakPolarHBondContact O-CB 3.3Å; G289-F293 PolarHBondContact O-N 3.46Å
290G98.7Very high95.5Very high0 Ų031.7 Ų31.70%018%0.179CC..Hα-helixtrans-62.9-50.1174.600000112G225 A229 A286 H287 A288 V292 F293 G294G225-G290 WeakPolarHBondContact O-CA 3.43Å; A229-G290 WeakPolarHBondContact CA-O 3.3Å; A229-G290 WeakPolarHBondContact CB-O 3.44Å; A229-G290 PolarHBondContact N-O 2.98Å; A286-G290 PolarHBondContact O-N 3.34Å; H287-G290 PolarHBondContact O-N 3.47Å; A288-G290 PolarHBondContact O-N 3.28Å; G290-V292 PolarHBondContact O-N 3.37Å; G290-F293 WeakPolarHBondContact O-CB 3.44Å; G290-F293 PolarHBondContact O-N 3.5Å; G290-G294 PolarHBondContact O-N 3.26Å
291L98.6Very high95.6Very high0 Ų030.6 Ų30.60%017%0.174CC..Hα-helixtrans-55.8-51177.6-74.8162.3000111.5C228 I231 V262 I265 L266 E269 H287 A288 F293 G294 M295C228-L291 HydrophobicContact CB-CD2 4.35Å; C228-L291 HydrophobicContact CB-CG 3.94Å; C228-L291 WeakPolarHBondContact O-CD2 3.42Å; I231-L291 HydrophobicContact CB-CD2 4.42Å; I231-L291 HydrophobicContact CG2-CD2 4.18Å; V262-L291 HydrophobicContact CG2-CD2 3.94Å; I265-L291 HydrophobicContact CB-CD1 4.43Å; I265-L291 HydrophobicContact CG2-CD1 3.63Å; I265-L291 HydrophobicContact CG2-CD2 4.33Å; L266-L291 HydrophobicContact CB-CD1 4.4Å; L266-L291 HydrophobicContact CD1-CB 4.35Å; L266-L291 HydrophobicContact CD1-CD1 4.45Å; E269-L291 HydrophobicContact CG-CD1 4.04Å; H287-L291 WeakPolarHBondContact O-CG 3.48Å; H287-L291 PolarHBondContact O-N 3.31Å; A288-L291 PolarHBondContact O-N 3.49Å; L291-F293 VanDerWaalsContact C-N 3.33Å; L291-F293 PolarHBondContact O-N 3.03Å; L291-G294 PolarHBondContact O-N 2.8Å; L291-M295 WeakPolarHBondContact O-CB 3.43Å; L291-M295 WeakPolarHBondContact O-CG 3.46Å; L291-M295 PolarHBondContact O-N 3.06Å
292V98.6Very high95.7Very high56 Ų5631 Ų3134%0.33917%0.172SC..Hα-helixtrans-60.3-43.3179.6170.90000111.1L266 A288 G290 G294 M295 L296L266-V292 HydrophobicContact CD1-CG2 3.95Å; L266-V292 HydrophobicContact CD2-CG2 4.26Å; A288-V292 WeakPolarHBondContact O-CB 3.3Å; A288-V292 VanDerWaalsContact O-CG2 3.32Å; A288-V292 WeakPolarHBondContact O-CG2 3.21Å; A288-V292 PolarHBondContact O-N 3.48Å; G290-V292 PolarHBondContact O-N 3.37Å; V292-G294 PolarHBondContact O-N 3.39Å; V292-M295 PolarHBondContact O-N 3.22Å; V292-L296 HydrophobicContact CG1-CD1 4Å; V292-L296 HydrophobicContact CG1-CG 4.38Å; V292-L296 WeakPolarHBondContact O-CB 3.31Å; V292-L296 VanDerWaalsContact O-CG 3.28Å; V292-L296 WeakPolarHBondContact O-CG 3.45Å; V292-L296 PolarHBondContact O-N 3.48Å
293F98.6Very high95.7Very high33 Ų3331.7 Ų31.715%0.14517%0.173CC..Hα-helixtrans-58.9-48.8176-174.7-83.1000111.8T64 F68 A198 F202 A229 G289 G290 L291 M295 L296 Y297T64-F293 HydrophobicContact CG2-CE2 4.5Å; F68-F293 HydrophobicContact CE2-CE1 4.36Å; F68-F293 AromaticContact CE2-CZ 4Å; F68-F293 HydrophobicContact CE2-CZ 4Å; A198-F293 HydrophobicContact CB-CE1 4.07Å; A198-F293 HydrophobicContact CB-CZ 3.68Å; F202-F293 HydrophobicContact CB-CD2 3.68Å; F202-F293 HydrophobicContact CB-CE2 4.14Å; F202-F293 HydrophobicContact CB-CG 4.33Å; F202-F293 HydrophobicContact CD1-CB 3.79Å; F202-F293 AromaticContact CD1-CD2 3.85Å; F202-F293 HydrophobicContact CD1-CD2 3.85Å; F202-F293 HydrophobicContact CD1-CG 4.25Å; F202-F293 HydrophobicContact CD2-CD2 4.27Å; F202-F293 HydrophobicContact CE1-CB 4.33Å; F202-F293 HydrophobicContact CG-CB 4.43Å; F202-F293 AromaticContact CG-CD2 3.66Å; F202-F293 HydrophobicContact CG-CD2 3.66Å; F202-F293 HydrophobicContact CG-CE2 4.39Å; F202-F293 HydrophobicContact CG-CG 4.42Å; A229-F293 HydrophobicContact CB-CD1 4.34Å; G289-F293 WeakPolarHBondContact O-CB 3.3Å; G289-F293 PolarHBondContact O-N 3.46Å; G290-F293 WeakPolarHBondContact O-CB 3.44Å; G290-F293 PolarHBondContact O-N 3.5Å; L291-F293 VanDerWaalsContact C-N 3.33Å; L291-F293 PolarHBondContact O-N 3.03Å; F293-M295 PolarHBondContact O-N 2.92Å; F293-L296 PolarHBondContact O-N 3.37Å; F293-Y297 PolarHBondContact O-N 2.91Å
294G98.6Very high95.4Very high0 Ų033.1 Ų33.10%019%0.185CC..Hα-helixtrans-58.5-46.9176.600000112.5A229 G232 A233 G290 L291 V292 L296 Y297 G298A229-G294 WeakPolarHBondContact O-CA 3.21Å; G232-G294 VanDerWaalsContact C-C 3.4Å; A233-G294 WeakPolarHBondContact CA-O 3.46Å; A233-G294 VanDerWaalsContact N-C 3.31Å; A233-G294 PolarHBondContact N-O 3.29Å; G290-G294 PolarHBondContact O-N 3.26Å; L291-G294 PolarHBondContact O-N 2.8Å; V292-G294 PolarHBondContact O-N 3.39Å; G294-L296 PolarHBondContact O-N 3.18Å; G294-Y297 WeakPolarHBondContact O-CB 3.03Å; G294-Y297 PolarHBondContact O-N 3.44Å; G294-G298 PolarHBondContact O-N 2.81Å
295M98.5Very high95Very high9 Ų934.5 Ų34.54%0.04419%0.192CC..Hα-helixtrans-59.6-47.3178.4-69.9165.476.900111.2M236 V262 W263 L266 L291 V292 F293 Y297 G298 M299M236-M295 HydrophobicContact CG-CB 3.9Å; M236-M295 HydrophobicContact CG-CG 4.05Å; M236-M295 HydrophobicContact SD-CE 4.49Å; V262-M295 HydrophobicContact CG1-CE 4.4Å; V262-M295 HydrophobicContact CG2-CG 3.88Å; V262-M295 HydrophobicContact CG2-SD 3.81Å; W263-M295 HydrophobicContact CD2-CE 4.01Å; W263-M295 HydrophobicContact CE3-CE 4.15Å; W263-M295 HydrophobicContact CH2-CE 3.69Å; W263-M295 HydrophobicContact CZ2-CE 3.51Å; W263-M295 HydrophobicContact CZ3-CE 4Å; L266-M295 HydrophobicContact CD2-CE 4.26Å; L266-M295 HydrophobicContact CD2-SD 4Å; L291-M295 WeakPolarHBondContact O-CB 3.43Å; L291-M295 WeakPolarHBondContact O-CG 3.46Å; L291-M295 PolarHBondContact O-N 3.06Å; V292-M295 PolarHBondContact O-N 3.22Å; F293-M295 PolarHBondContact O-N 2.92Å; M295-Y297 VanDerWaalsContact C-N 3.3Å; M295-Y297 PolarHBondContact O-N 2.88Å; M295-G298 PolarHBondContact O-N 2.7Å; M295-M299 WeakPolarHBondContact O-CB 3.35Å; M295-M299 VanDerWaalsContact O-CG 3.23Å; M295-M299 WeakPolarHBondContact O-CG 3.48Å; M295-M299 PolarHBondContact O-N 3.43Å
296L97.8Very high94.5Very high97 Ų9742 Ų4251%0.50822%0.221SC..Hα-helixtrans-60.8-39.7176.8-69.8172.8000112V292 F293 G294 N300 G301V292-L296 HydrophobicContact CG1-CD1 4Å; V292-L296 HydrophobicContact CG1-CG 4.38Å; V292-L296 WeakPolarHBondContact O-CB 3.31Å; V292-L296 VanDerWaalsContact O-CG 3.28Å; V292-L296 WeakPolarHBondContact O-CG 3.45Å; V292-L296 PolarHBondContact O-N 3.48Å; F293-L296 PolarHBondContact O-N 3.37Å; G294-L296 PolarHBondContact O-N 3.18Å; L296-N300 PolarHBondContact O-N 3.26Å; L296-N300 VanDerWaalsContact O-N 3.08Å; L296-G301 PolarHBondContact O-N 3.41Å
297Y97.4Very high94.1Very high9 Ų948.4 Ų48.44%0.03525%0.247CC..Iπ-helixtrans-62.7-46.1174.1170.5-89000111.8F68 V187 D191 V195 A233 L237 F293 G294 M295 G301 V302 I305F68-Y297 AromaticContact CE1-CD2 3.98Å; F68-Y297 HydrophobicContact CE1-CD2 3.98Å; F68-Y297 AromaticContact CE1-CE2 3.7Å; F68-Y297 HydrophobicContact CE1-CE2 3.7Å; F68-Y297 AromaticContact CZ-CD2 3.86Å; F68-Y297 HydrophobicContact CZ-CD2 3.86Å; F68-Y297 HydrophobicContact CZ-CE2 4.07Å; V187-Y297 HydrophobicContact CG1-CE1 4.3Å; D191-Y297 VanDerWaalsContact CB-OH 3.31Å; D191-Y297 WeakPolarHBondContact CB-OH 3.32Å; D191-Y297 VanDerWaalsContact CG-OH 3.31Å; D191-Y297 PolarHBondContact OD2-OH 3.09Å; V195-Y297 HydrophobicContact CG2-CD1 3.51Å; V195-Y297 HydrophobicContact CG2-CD2 3.66Å; V195-Y297 HydrophobicContact CG2-CE1 3.5Å; V195-Y297 HydrophobicContact CG2-CE2 3.64Å; V195-Y297 HydrophobicContact CG2-CG 3.6Å; A233-Y297 HydrophobicContact CB-CD1 3.76Å; A233-Y297 HydrophobicContact CB-CE1 4.35Å; L237-Y297 HydrophobicContact CD1-CE1 4.26Å; F293-Y297 PolarHBondContact O-N 2.91Å; G294-Y297 WeakPolarHBondContact O-CB 3.03Å; G294-Y297 PolarHBondContact O-N 3.44Å; M295-Y297 VanDerWaalsContact C-N 3.3Å; M295-Y297 PolarHBondContact O-N 2.88Å; Y297-G301 WeakPolarHBondContact O-CA 3.18Å; Y297-G301 PolarHBondContact O-N 2.71Å; Y297-V302 HydrophobicContact CE1-CG2 3.89Å; Y297-V302 HydrophobicContact CE2-CG2 4.42Å; Y297-V302 PolarHBondContact O-N 3.44Å; Y297-I305 HydrophobicContact CD2-CD1 4.17Å; Y297-I305 HydrophobicContact CE2-CD1 3.66Å
298G96.3Very high93.7Very high10 Ų1055.8 Ų55.810%0.10327%0.274CS..Iπ-helixtrans-71.6-29.8-17900000113.9G294 M295G294-G298 PolarHBondContact O-N 2.81Å; M295-G298 PolarHBondContact O-N 2.7Å
299M95.3Very high93.3Very high108 Ų10857.2 Ų57.253%0.53228%0.28SS..Iπ-helixtrans-73.1-51.7176.1-70.3169.570.700112.1M236 M295M236-M299 HydrophobicContact CB-CG 4.14Å; M236-M299 HydrophobicContact CG-CG 3.87Å; M236-M299 HydrophobicContact SD-CG 3.91Å; M236-M299 HydrophobicContact SD-SD 4.27Å; M295-M299 WeakPolarHBondContact O-CB 3.35Å; M295-M299 VanDerWaalsContact O-CG 3.23Å; M295-M299 WeakPolarHBondContact O-CG 3.48Å; M295-M299 PolarHBondContact O-N 3.43Å
300N92Very high92.9Very high100 Ų10065.1 Ų65.154%0.53531%0.308SS..Iπ-helixtrans-132-17-167.9-63.7-25.9000113.5L296 S304L296-N300 PolarHBondContact O-N 3.26Å; L296-N300 VanDerWaalsContact O-N 3.08Å; N300-S304 VanDerWaalsContact O-CB 3.25Å; N300-S304 WeakPolarHBondContact O-CB 3.35Å; N300-S304 PolarHBondContact O-N 3.3Å; N300-S304 PolarHBondContact O-OG 2.96Å
301G86.2Confident92.6Very high14 Ų1470.2 Ų70.214%0.14434%0.335CS..Iπ-helixtrans-65.6-46.6-172.300000113L296 Y297 E303 S304 I305L296-G301 PolarHBondContact O-N 3.41Å; Y297-G301 WeakPolarHBondContact O-CA 3.18Å; Y297-G301 PolarHBondContact O-N 2.71Å; G301-E303 VanDerWaalsContact C-N 3.35Å; G301-E303 PolarHBondContact O-N 3.39Å; G301-S304 PolarHBondContact O-N 2.83Å; G301-S304 VanDerWaalsContact O-N 3.16Å; G301-I305 WeakPolarHBondContact O-CB 3.35Å; G301-I305 VanDerWaalsContact O-CG1 3.28Å; G301-I305 WeakPolarHBondContact O-CG1 3.43Å; G301-I305 PolarHBondContact O-N 2.78Å
302V86.2Confident92.3Very high53 Ų5372 Ų7232%0.32135%0.346SS..Hα-helixtrans-55.4-51.2177.2177.80000110.7V187 L237 Y297 S304 I305 W306V187-V302 HydrophobicContact CG1-CG2 4.12Å; L237-V302 HydrophobicContact CD2-CG2 3.76Å; Y297-V302 HydrophobicContact CE1-CG2 3.89Å; Y297-V302 HydrophobicContact CE2-CG2 4.42Å; Y297-V302 PolarHBondContact O-N 3.44Å; V302-S304 VanDerWaalsContact C-N 3.34Å; V302-S304 PolarHBondContact O-N 3.23Å; V302-I305 PolarHBondContact O-N 3.05Å; V302-W306 VanDerWaalsContact O-CB 3.26Å; V302-W306 WeakPolarHBondContact O-CB 3.28Å; V302-W306 PolarHBondContact O-N 3.35Å
303E88.2Confident92Very high98 Ų9870.4 Ų70.446%0.45834%0.335SS..Hα-helixtrans-64.8-38.1178.6-173.457.9-15100112.1G301 W306 K307G301-E303 VanDerWaalsContact C-N 3.35Å; G301-E303 PolarHBondContact O-N 3.39Å; E303-W306 PolarHBondContact O-N 3.42Å; E303-K307 HydrophobicContact CG-CD 4.22Å; E303-K307 HydrophobicContact CG-CG 4.49Å; E303-K307 WeakPolarHBondContact O-CB 3.32Å; E303-K307 VanDerWaalsContact O-CG 3.32Å; E303-K307 WeakPolarHBondContact O-CG 3.48Å; E303-K307 PolarHBondContact O-N 2.87Å; E303-K307 WeakPolarHBondContact OE1-CE 3.31Å; E303-K307 IonicContact OE1-NZ 3.86Å
304S86.8Confident91.7Very high59 Ų5972 Ų7241%0.41335%0.351SS..Hα-helixtrans-67.6-41.8-179.8-63.10000112.4N300 G301 V302 R308N300-S304 VanDerWaalsContact O-CB 3.25Å; N300-S304 WeakPolarHBondContact O-CB 3.35Å; N300-S304 PolarHBondContact O-N 3.3Å; N300-S304 PolarHBondContact O-OG 2.96Å; G301-S304 PolarHBondContact O-N 2.83Å; G301-S304 VanDerWaalsContact O-N 3.16Å; V302-S304 VanDerWaalsContact C-N 3.34Å; V302-S304 PolarHBondContact O-N 3.23Å; S304-R308 WeakPolarHBondContact O-CG 3.32Å; S304-R308 PolarHBondContact O-N 3.42Å
305I88.2Confident91.5Very high41 Ų4178.2 Ų78.221%0.2137%0.374CS..Hα-helixtrans-67.3-45.5175.8-67.9163000108.9F68 L72 Y297 G301 V302 R308 H309F68-I305 HydrophobicContact CD1-CD1 3.5Å; F68-I305 HydrophobicContact CD1-CG1 4.48Å; F68-I305 HydrophobicContact CE1-CD1 3.58Å; F68-I305 HydrophobicContact CG-CD1 4.32Å; F68-I305 HydrophobicContact CZ-CD1 4.46Å; L72-I305 HydrophobicContact CD1-CG2 3.93Å; Y297-I305 HydrophobicContact CD2-CD1 4.17Å; Y297-I305 HydrophobicContact CE2-CD1 3.66Å; G301-I305 WeakPolarHBondContact O-CB 3.35Å; G301-I305 VanDerWaalsContact O-CG1 3.28Å; G301-I305 WeakPolarHBondContact O-CG1 3.43Å; G301-I305 PolarHBondContact O-N 2.78Å; V302-I305 PolarHBondContact O-N 3.05Å; I305-R308 CarbonylContact O-C 3.6Å; I305-R308 PolarHBondContact O-N 2.94Å; I305-H309 PolarHBondContact O-N 2.94Å
306W86Confident91.3Very high160 Ų16080.1 Ų80.161%0.60638%0.381SS*.Hα-helixtrans-60.5-47.3177-172.4-104.2000111.7V302 E303 R308 H309V302-W306 VanDerWaalsContact O-CB 3.26Å; V302-W306 WeakPolarHBondContact O-CB 3.28Å; V302-W306 PolarHBondContact O-N 3.35Å; E303-W306 PolarHBondContact O-N 3.42Å; W306-R308 PolarHBondContact O-N 3.25Å; W306-R308 VanDerWaalsContact O-N 3.08Å; W306-H309 AromaticContact CD2-CE1 3.71Å; W306-H309 AromaticContact CD2-ND1 3.52Å; W306-H309 AromaticContact CE2-CE1 3.53Å; W306-H309 AromaticContact CE2-ND1 3.84Å; W306-H309 AromaticContact CE3-ND1 3.74Å; W306-H309 AromaticContact CG-ND1 3.86Å; W306-H309 AromaticContact CZ2-CE1 3.7Å; W306-H309 PolarHBondContact O-N 3.23Å; W306-H309 VanDerWaalsContact O-N 3.09Å; W306-H309 PolarHBondContact O-ND1 3.28Å
307K89Confident91Very high141 Ų14179.2 Ų79.261%0.61337%0.373SS*.Hα-helixtrans-56-34.1177.8-78.8175.1177.2169.50113.3E303E303-K307 HydrophobicContact CG-CD 4.22Å; E303-K307 HydrophobicContact CG-CG 4.49Å; E303-K307 WeakPolarHBondContact O-CB 3.32Å; E303-K307 VanDerWaalsContact O-CG 3.32Å; E303-K307 WeakPolarHBondContact O-CG 3.48Å; E303-K307 PolarHBondContact O-N 2.87Å; E303-K307 WeakPolarHBondContact OE1-CE 3.31Å; E303-K307 IonicContact OE1-NZ 3.86Å
308R88.7Confident90.7Very high173 Ų17381.8 Ų81.865%0.65339%0.392SS*.Hα-helixtrans-91.8-10-178.1-63.6175.6-172.3-91.31113.8S304 I305 W306 R310 D311 V312S304-R308 WeakPolarHBondContact O-CG 3.32Å; S304-R308 PolarHBondContact O-N 3.42Å; I305-R308 CarbonylContact O-C 3.6Å; I305-R308 PolarHBondContact O-N 2.94Å; W306-R308 PolarHBondContact O-N 3.25Å; W306-R308 VanDerWaalsContact O-N 3.08Å; R308-R310 VanDerWaalsContact C-N 3.3Å; R308-R310 PolarHBondContact O-N 2.91Å; R308-D311 PolarHBondContact O-N 3.01Å; R308-V312 WeakPolarHBondContact O-CG2 3.37Å; R308-V312 PolarHBondContact O-N 3.35Å
309H90.1Very high90.4Very high35 Ų3583.7 Ų83.716%0.16240%0.399CS..Hα-helixtrans-58.9-41.9-171.582.6-97.1000111.8L72 I305 W306 D311 V312 L313L72-H309 HydrophobicContact CD1-CB 3.9Å; I305-H309 PolarHBondContact O-N 2.94Å; W306-H309 AromaticContact CD2-CE1 3.71Å; W306-H309 AromaticContact CD2-ND1 3.52Å; W306-H309 AromaticContact CE2-CE1 3.53Å; W306-H309 AromaticContact CE2-ND1 3.84Å; W306-H309 AromaticContact CE3-ND1 3.74Å; W306-H309 AromaticContact CG-ND1 3.86Å; W306-H309 AromaticContact CZ2-CE1 3.7Å; W306-H309 PolarHBondContact O-N 3.23Å; W306-H309 VanDerWaalsContact O-N 3.09Å; W306-H309 PolarHBondContact O-ND1 3.28Å; H309-D311 PolarHBondContact O-N 2.76Å; H309-V312 PolarHBondContact O-N 3.43Å; H309-L313 WeakPolarHBondContact O-CB 3.24Å; H309-L313 WeakPolarHBondContact O-CG 2.99Å; H309-L313 PolarHBondContact O-N 3.49Å
310R91.2Very high90.1Very high171 Ų17179 Ų7965%0.64538%0.376SS*.Hα-helixtrans-63.9-43.4-178.7-69.9-159.8-68.6-104.21.4112.3R308 L313 S314R308-R310 VanDerWaalsContact C-N 3.3Å; R308-R310 PolarHBondContact O-N 2.91Å; R310-L313 PolarHBondContact O-N 2.8Å; R310-S314 WeakPolarHBondContact O-CB 3.34Å; R310-S314 PolarHBondContact O-N 2.95Å; R310-S314 PolarHBondContact O-OG 3.34Å
311D92.5Very high89.8Confident108 Ų10877.4 Ų77.458%0.57837%0.367SS*.Hα-helixtrans-68-41.5-179.1-58.3-26.1000111R308 H309 S314 W315R308-D311 PolarHBondContact O-N 3.01Å; H309-D311 PolarHBondContact O-N 2.76Å; D311-S314 WeakPolarHBondContact CA-OG 3.19Å; D311-S314 PolarHBondContact O-N 2.91Å; D311-S314 PolarHBondContact O-OG 3.5Å; D311-W315 VanDerWaalsContact O-CB 3.3Å; D311-W315 WeakPolarHBondContact O-CB 3.43Å; D311-W315 PolarHBondContact O-N 2.84Å
312V91.9Very high89.9Confident36 Ų3682.2 Ų82.222%0.21839%0.386CS..Hα-helixtrans-65.1-43.6176.4174.30000110.9L69 L72 R308 H309 W315 W316L69-V312 HydrophobicContact CD1-CG1 3.22Å; L72-V312 HydrophobicContact CD2-CB 4.01Å; L72-V312 HydrophobicContact CD2-CG1 3.51Å; R308-V312 WeakPolarHBondContact O-CG2 3.37Å; R308-V312 PolarHBondContact O-N 3.35Å; H309-V312 PolarHBondContact O-N 3.43Å; V312-W315 PolarHBondContact O-N 3.33Å; V312-W316 WeakPolarHBondContact O-CB 3.35Å; V312-W316 PolarHBondContact O-N 3.19Å
313L91.8Very high89.8Confident23 Ų2385.5 Ų85.512%0.1240%0.396CS..Hα-helixtrans-71.1-33.4179.1-67.6-177.8000112.6L72 F76 H309 R310 K317L72-L313 HydrophobicContact CD2-CD2 3.52Å; L72-L313 HydrophobicContact CD2-CG 3.89Å; F76-L313 HydrophobicContact CB-CD1 4.29Å; F76-L313 HydrophobicContact CB-CD2 3.46Å; F76-L313 VanDerWaalsContact CB-CD2 3.46Å; F76-L313 HydrophobicContact CD1-CD2 3.89Å; F76-L313 HydrophobicContact CD2-CD1 3.7Å; F76-L313 HydrophobicContact CD2-CD2 3.96Å; F76-L313 HydrophobicContact CD2-CG 4.36Å; F76-L313 HydrophobicContact CE2-CD1 4.3Å; F76-L313 HydrophobicContact CG-CD1 4.11Å; F76-L313 HydrophobicContact CG-CD2 3.48Å; F76-L313 VanDerWaalsContact CG-CD2 3.48Å; F76-L313 HydrophobicContact CG-CG 4.36Å; H309-L313 WeakPolarHBondContact O-CB 3.24Å; H309-L313 WeakPolarHBondContact O-CG 2.99Å; H309-L313 PolarHBondContact O-N 3.49Å; R310-L313 PolarHBondContact O-N 2.8Å; L313-K317 WeakPolarHBondContact O-CB 3.2Å; L313-K317 WeakPolarHBondContact O-CD 3.47Å; L313-K317 WeakPolarHBondContact O-CG 3.35Å; L313-K317 PolarHBondContact O-N 2.84Å
314S93.5Very high89.4Confident67 Ų6783 Ų8347%0.46939%0.385SS..Hα-helixtrans-67.6-44.1174.569.40000111R310 D311 K317 S318R310-S314 WeakPolarHBondContact O-CB 3.34Å; R310-S314 PolarHBondContact O-N 2.95Å; R310-S314 PolarHBondContact O-OG 3.34Å; D311-S314 WeakPolarHBondContact CA-OG 3.19Å; D311-S314 PolarHBondContact O-N 2.91Å; D311-S314 PolarHBondContact O-OG 3.5Å; S314-K317 PolarHBondContact O-N 3.41Å; S314-S318 PolarHBondContact O-N 2.7Å
315W94.3Very high89.2Confident131 Ų13187.4 Ų87.450%0.49640%0.397SS..Hα-helixtrans-57.9-48.8172.316879000111.9L69 I73 D311 V312 K317 S318 I319L69-W315 HydrophobicContact CD1-CZ3 4.33Å; L69-W315 HydrophobicContact CD2-CZ3 4.44Å; I73-W315 HydrophobicContact CD1-CZ3 4.25Å; D311-W315 VanDerWaalsContact O-CB 3.3Å; D311-W315 WeakPolarHBondContact O-CB 3.43Å; D311-W315 PolarHBondContact O-N 2.84Å; V312-W315 PolarHBondContact O-N 3.33Å; W315-K317 PolarHBondContact O-N 2.86Å; W315-S318 WeakPolarHBondContact O-CB 3.31Å; W315-S318 PolarHBondContact O-N 3.42Å; W315-I319 HydrophobicContact CD2-CD1 3.97Å; W315-I319 HydrophobicContact CH2-CD1 3.96Å; W315-I319 HydrophobicContact CZ2-CD1 3.26Å; W315-I319 PolarHBondContact O-N 3.26Å; W315-I319 VanDerWaalsContact O-N 3.12Å
316W94Very high88.9Confident49 Ų4993 Ų9319%0.18642%0.42CS..Hα-helixtrans-61.3-45.3178.8172.1-111.5000112.2I73 E77 I92 V312 S318 I319 R320I73-W316 HydrophobicContact CD1-CD2 4.1Å; I73-W316 HydrophobicContact CD1-CE3 3.98Å; I73-W316 HydrophobicContact CD1-CG 4.32Å; I73-W316 HydrophobicContact CG1-CB 4.37Å; I73-W316 HydrophobicContact CG1-CD2 4.27Å; I73-W316 HydrophobicContact CG1-CG 4.12Å; I73-W316 HydrophobicContact CG2-CD2 3.82Å; I73-W316 HydrophobicContact CG2-CE3 4.39Å; I73-W316 HydrophobicContact CG2-CG 4.15Å; I73-W316 HydrophobicContact CG2-CH2 4.42Å; I73-W316 HydrophobicContact CG2-CZ2 3.87Å; E77-W316 PolarHBondContact OE1-NE1 3.32Å; I92-W316 HydrophobicContact CD1-CZ2 4.15Å; V312-W316 WeakPolarHBondContact O-CB 3.35Å; V312-W316 PolarHBondContact O-N 3.19Å; W316-S318 VanDerWaalsContact C-N 3.31Å; W316-S318 PolarHBondContact O-N 2.82Å; W316-I319 PolarHBondContact O-N 2.87Å; W316-R320 VanDerWaalsContact O-CB 3.31Å; W316-R320 WeakPolarHBondContact O-CB 3.41Å; W316-R320 PolarHBondContact O-N 3.3Å
317K90.8Very high88.6Confident78 Ų7892.6 Ų92.634%0.33942%0.418SS..Hα-helixtrans-57.4-44.4175-75.3165.6-176.6171.10111.5F76 L313 S314 W315 I319 R320 D321F76-K317 HydrophobicContact CE1-CG 4.28Å; F76-K317 HydrophobicContact CZ-CD 4.28Å; F76-K317 HydrophobicContact CZ-CG 4.16Å; L313-K317 WeakPolarHBondContact O-CB 3.2Å; L313-K317 WeakPolarHBondContact O-CD 3.47Å; L313-K317 WeakPolarHBondContact O-CG 3.35Å; L313-K317 PolarHBondContact O-N 2.84Å; S314-K317 PolarHBondContact O-N 3.41Å; W315-K317 PolarHBondContact O-N 2.86Å; K317-I319 PolarHBondContact O-N 2.89Å; K317-R320 PolarHBondContact O-N 2.64Å; K317-D321 VanDerWaalsContact O-CB 3.25Å; K317-D321 WeakPolarHBondContact O-CB 3.05Å; K317-D321 PolarHBondContact O-N 3.3Å
318S92.5Very high88Confident62 Ų6293.4 Ų93.443%0.43443%0.428SS..Hα-helixtrans-57.1-48.9177.5-176.70000111.8S314 W315 W316 R320 Q322S314-S318 PolarHBondContact O-N 2.7Å; W315-S318 WeakPolarHBondContact O-CB 3.31Å; W315-S318 PolarHBondContact O-N 3.42Å; W316-S318 VanDerWaalsContact C-N 3.31Å; W316-S318 PolarHBondContact O-N 2.82Å; S318-R320 PolarHBondContact O-N 2.92Å; S318-Q322 WeakPolarHBondContact O-CB 3.15Å; S318-Q322 WeakPolarHBondContact O-CG 3.27Å; S318-Q322 PolarHBondContact O-N 2.99Å; S318-Q322 VanDerWaalsContact O-N 3.11Å
319I89.7Confident87.3Confident50 Ų5095.4 Ų95.426%0.25645%0.445SS..Hα-helixtrans-62.1-46177.5-68.4176.6000111.5W315 W316 K317 K323W315-I319 HydrophobicContact CD2-CD1 3.97Å; W315-I319 HydrophobicContact CH2-CD1 3.96Å; W315-I319 HydrophobicContact CZ2-CD1 3.26Å; W315-I319 PolarHBondContact O-N 3.26Å; W315-I319 VanDerWaalsContact O-N 3.12Å; W316-I319 PolarHBondContact O-N 2.87Å; K317-I319 PolarHBondContact O-N 2.89Å; I319-K323 PolarHBondContact O-N 3.49Å; I319-K323 VanDerWaalsContact O-N 3.17Å
320R88Confident87.2Confident11 Ų1198.5 Ų98.54%0.04246%0.46CS..Hα-helixtrans-66.6-47-176.3-177.1-167.268.8173.410.6111.7E77 K87 D89 W316 K317 S318 Q322 K323 L324E77-R320 VanDerWaalsContact OE1-CD 3.31Å; E77-R320 WeakPolarHBondContact OE1-CD 3.4Å; E77-R320 IonicContact OE1-CZ 3.41Å; E77-R320 IonicContact OE1-NE 3.38Å; E77-R320 IonicContact OE1-NH1 3.79Å; E77-R320 PolarHBondContact OE1-NH1 2.83Å; E77-R320 IonicContact OE2-NH1 3.47Å; E77-R320 PolarHBondContact OE2-NH1 3.18Å; K87-R320 PolarHBondContact O-NH2 2.95Å; K87-R320 VanDerWaalsContact O-NH2 3.1Å; D89-R320 HydrophobicContact CB-CG 4.43Å; W316-R320 VanDerWaalsContact O-CB 3.31Å; W316-R320 WeakPolarHBondContact O-CB 3.41Å; W316-R320 PolarHBondContact O-N 3.3Å; K317-R320 PolarHBondContact O-N 2.64Å; S318-R320 PolarHBondContact O-N 2.92Å; R320-Q322 VanDerWaalsContact C-N 3.31Å; R320-Q322 PolarHBondContact O-N 2.76Å; R320-K323 WeakPolarHBondContact O-CB 3.04Å; R320-K323 PolarHBondContact O-N 3.41Å; R320-K323 VanDerWaalsContact O-N 3.09Å; R320-L324 HydrophobicContact CG-CD1 4.44Å; R320-L324 PolarHBondContact O-N 2.8Å
321D86.3Confident86.9Confident65 Ų6594.6 Ų94.635%0.34845%0.45SS..Hα-helixtrans-70.2-31.2-176.2-61.8-7.7000110.8K317 L324 K325K317-D321 VanDerWaalsContact O-CB 3.25Å; K317-D321 WeakPolarHBondContact O-CB 3.05Å; K317-D321 PolarHBondContact O-N 3.3Å; D321-L324 PolarHBondContact O-N 3.34Å; D321-K325 WeakPolarHBondContact O-CG 3.39Å; D321-K325 PolarHBondContact O-N 2.74Å
322Q87.7Confident86.6Confident115 Ų11593.9 Ų93.954%0.53744%0.443SS..Hα-helixtrans-61.7-43.8167.6-76.4177.66.600112.4S318 R320 L324 K325 K326S318-Q322 WeakPolarHBondContact O-CB 3.15Å; S318-Q322 WeakPolarHBondContact O-CG 3.27Å; S318-Q322 PolarHBondContact O-N 2.99Å; S318-Q322 VanDerWaalsContact O-N 3.11Å; R320-Q322 VanDerWaalsContact C-N 3.31Å; R320-Q322 PolarHBondContact O-N 2.76Å; Q322-L324 VanDerWaalsContact C-N 3.33Å; Q322-K325 PolarHBondContact O-N 3.4Å; Q322-K326 PolarHBondContact O-N 2.93Å
323K84Confident86.3Confident123 Ų12397.3 Ų97.354%0.53546%0.456SS..Hα-helixtrans-64.6-37.5176-76.3-178.2178.4179.60112.1I319 R320 K326 R327I319-K323 PolarHBondContact O-N 3.49Å; I319-K323 VanDerWaalsContact O-N 3.17Å; R320-K323 WeakPolarHBondContact O-CB 3.04Å; R320-K323 PolarHBondContact O-N 3.41Å; R320-K323 VanDerWaalsContact O-N 3.09Å; K323-K326 PolarHBondContact O-N 3.1Å; K323-R327 PolarHBondContact O-N 3.17Å
324L80Confident86Confident45 Ų45101.9 Ų101.924%0.23648%0.477CS..Hα-helixtrans-63.4-46.2176-76.4170.9000111.7D89 R320 D321 Q322 K326 R327 L328D89-L324 HydrophobicContact CB-CD1 4.2Å; D89-L324 HydrophobicContact CB-CD2 4.13Å; D89-L324 HydrophobicContact CB-CG 4.49Å; R320-L324 HydrophobicContact CG-CD1 4.44Å; R320-L324 PolarHBondContact O-N 2.8Å; D321-L324 PolarHBondContact O-N 3.34Å; Q322-L324 VanDerWaalsContact C-N 3.33Å; L324-K326 VanDerWaalsContact C-N 3.31Å; L324-K326 PolarHBondContact O-N 2.78Å; L324-R327 PolarHBondContact O-N 3.44Å; L324-R327 VanDerWaalsContact O-N 3.08Å; L324-L328 PolarHBondContact O-N 3.25Å
325K82.4Confident85.5Confident151 Ų151104.3 Ų104.366%0.65748%0.477SS*.Hα-helixtrans-57.2-43.5176.3-73.5178.4179.8-175.70112.2D321 Q322 R327 L328 Q329D321-K325 WeakPolarHBondContact O-CG 3.39Å; D321-K325 PolarHBondContact O-N 2.74Å; Q322-K325 PolarHBondContact O-N 3.4Å; K325-R327 VanDerWaalsContact C-N 3.27Å; K325-R327 PolarHBondContact O-N 2.88Å; K325-L328 PolarHBondContact O-N 3.24Å; K325-Q329 PolarHBondContact O-N 3.28Å
326K83.3Confident84.8Confident158 Ų158102.4 Ų102.469%0.68748%0.476SS*.Hα-helixtrans-66.5-21.7177.4-71.9-175.7178.3-173.60114.6Q322 K323 L324Q322-K326 PolarHBondContact O-N 2.93Å; K323-K326 PolarHBondContact O-N 3.1Å; L324-K326 VanDerWaalsContact C-N 3.31Å; L324-K326 PolarHBondContact O-N 2.78Å
327R78.1Confident84.1Confident152 Ų152106.5 Ų106.557%0.57450%0.498SS*.Hα-helixtrans-84.9-16.2176.5-75.5177.9177.9164.70.2113.3D89 K323 L324 K325D89-R327 IonicContact OD1-NH1 2.67Å; D89-R327 IonicContact OD2-NH1 3.65Å; D89-R327 PolarHBondContact OD2-NH1 2.7Å; K323-R327 PolarHBondContact O-N 3.17Å; L324-R327 PolarHBondContact O-N 3.44Å; L324-R327 VanDerWaalsContact O-N 3.08Å; K325-R327 VanDerWaalsContact C-N 3.27Å; K325-R327 PolarHBondContact O-N 2.88Å
328L76.4Confident83.6Confident158 Ų158108.8 Ų108.883%0.82751%0.512SS*.Hα-helixtrans-98.2-12.5-179.4-65.6173.4000112.7L324 K325L324-L328 PolarHBondContact O-N 3.25Å; K325-L328 PolarHBondContact O-N 3.24Å
329Q74.7Confident82.8Confident216 Ų216113.1 Ų113.1100%1.00952%0.519SS*.  trans-85.80167.9-68.8179.1-3300109.3K325K325-Q329 PolarHBondContact O-N 3.28Å

Retrieved 329 of 329 residues in 372.2 ms (Link to these results)

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