A0A3Q0KNN6_SCHMA Loading...

Putative neuropeptide receptor

AlphaFold DB , UniProt , Accession A0A3Q0KNN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 471 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
1M48.1Very low63Low105 Ų10588.2 Ų88.252%0.51748%0.482SS..  0122.70-60.9167.6-155.100108V3 M18M1-V3 HydrophobicContact CB-CG2 3.64Å; M1-V3 PolarHBondContact O-N 3.25Å; M1-M18 HydrophobicContact CE-CE 3.66Å
2N39.8Very low64.8Low167 Ų16781.2 Ų81.289%0.89344%0.444SS*.  trans-83.288.4167.2-99.5-6.2000106.7N4N2-N4 PolarHBondContact O-N 3.46Å
3V50.4Low66.5Low52 Ų5282.6 Ų82.632%0.31545%0.451SS..  trans-8161.3-173.3-166.70000110.5M1 Y270M1-V3 HydrophobicContact CB-CG2 3.64Å; M1-V3 PolarHBondContact O-N 3.25Å; V3-Y270 HydrophobicContact CG1-CE2 4.3Å; V3-Y270 WeakPolarHBondContact CG1-OH 3.29Å
4N48.3Very low67.9Low144 Ų14483.6 Ų83.677%0.7745%0.451SS*.SBendtrans-106.4105.9167-84.3-8.9000107.6N2N2-N4 PolarHBondContact O-N 3.46Å
5T52.4Low69.2Low143 Ų14378.6 Ų78.688%0.87742%0.424SS*.SBendtrans53.356.3171.557.80000116
6T58.6Low70.6Confident42 Ų4275.9 Ų75.926%0.25841%0.407SS..  trans-79.5136.2164.432.60000110.3
7N74.4Confident71.8Confident93 Ų9375.8 Ų75.850%0.49740%0.402SS..  trans-62.3142.5172.6-177.1-1.2000108.8N9 E10 L11N7-N9 PolarHBondContact O-N 3Å; N7-N9 VanDerWaalsContact O-N 3.11Å; N7-E10 HydrophobicContact CB-CG 4.13Å; N7-E10 PolarHBondContact N-OE2 2.94Å; N7-E10 WeakPolarHBondContact O-CB 3.35Å; N7-E10 PolarHBondContact O-N 3.18Å; N7-L11 PolarHBondContact O-N 3.47Å; N7-L11 VanDerWaalsContact O-N 3.12Å
8C77.7Confident72.8Confident32 Ų3274.3 Ų74.322%0.21639%0.393CS..Hα-helixtrans-52-37179.4171.40000112.1L11 V12 C275 M281C8-L11 PolarHBondContact O-N 3.41Å; C8-V12 VanDerWaalsContact O-CG2 3.29Å; C8-V12 WeakPolarHBondContact O-CG2 3.42Å; C8-V12 PolarHBondContact O-N 2.93Å; C8-C275 VanDerWaalsContact CA-SG 3.52Å; C8-C275 HydrophobicContact CB-CB 4.07Å; C8-C275 WeakPolarHBondContact CB-SG 3.21Å; C8-C275 WeakPolarHBondContact SG-CA 3.35Å; C8-C275 WeakPolarHBondContact SG-CB 3.45Å; C8-C275 CovalentContact SG-SG 2.02Å; C8-C275 PolarHBondContact SG-SG 3.26Å; C8-M281 PolarHBondContact SG-SD 2.98Å
9N81.5Confident73.8Confident81 Ų8171.1 Ų71.143%0.43338%0.375SS..Hα-helixtrans-60.5-46.4174.2-65.9-11.5000112.9N7 L11 V12 D13 M281N7-N9 PolarHBondContact O-N 3Å; N7-N9 VanDerWaalsContact O-N 3.11Å; N9-L11 VanDerWaalsContact C-N 3.32Å; N9-L11 PolarHBondContact O-N 3.49Å; N9-V12 PolarHBondContact O-N 3.43Å; N9-D13 PolarHBondContact O-N 3.26Å; N9-M281 WeakPolarHBondContact OD1-CE 3.2Å
10E81.7Confident74.8Confident103 Ų10367.7 Ų67.748%0.48136%0.357SS..Hα-helixtrans-63.7-40.2-179.7-67.5173.1160.900111N7 D13 E14N7-E10 HydrophobicContact CB-CG 4.13Å; N7-E10 PolarHBondContact N-OE2 2.94Å; N7-E10 WeakPolarHBondContact O-CB 3.35Å; N7-E10 PolarHBondContact O-N 3.18Å; E10-D13 PolarHBondContact O-N 3.39Å; E10-E14 WeakPolarHBondContact O-CG 3.49Å; E10-E14 PolarHBondContact O-N 2.91Å
11L80.1Confident75.6Confident8 Ų868.3 Ų68.34%0.04236%0.358CS..Hα-helixtrans-62.3-48.2174.5178.178.2000111.5N7 C8 N9 D13 E14 L15 Y270N7-L11 PolarHBondContact O-N 3.47Å; N7-L11 VanDerWaalsContact O-N 3.12Å; C8-L11 PolarHBondContact O-N 3.41Å; N9-L11 VanDerWaalsContact C-N 3.32Å; N9-L11 PolarHBondContact O-N 3.49Å; L11-D13 VanDerWaalsContact C-N 3.28Å; L11-D13 PolarHBondContact O-N 3.42Å; L11-E14 WeakPolarHBondContact O-CB 3.45Å; L11-E14 PolarHBondContact O-N 2.71Å; L11-L15 HydrophobicContact CD2-CD1 4.45Å; L11-L15 HydrophobicContact CG-CD1 4.1Å; L11-L15 HydrophobicContact CG-CG 4.42Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 2.82Å; L11-Y270 HydrophobicContact CD1-CD2 4.08Å; L11-Y270 HydrophobicContact CD1-CE2 3.81Å; L11-Y270 HydrophobicContact CD2-CD1 3.34Å; L11-Y270 HydrophobicContact CD2-CD2 3.3Å; L11-Y270 HydrophobicContact CD2-CE1 3.67Å; L11-Y270 HydrophobicContact CD2-CE2 3.63Å; L11-Y270 HydrophobicContact CD2-CG 3.13Å; L11-Y270 HydrophobicContact CG-CD2 4.32Å; L11-Y270 HydrophobicContact CG-CE2 4.36Å; L11-Y270 HydrophobicContact CG-CG 4.49Å
12V84.8Confident77.7Confident4 Ų467.4 Ų67.42%0.02435%0.352CS..Hα-helixtrans-60.9-40.9-179.7169.90000110.6C8 N9 L15 K16 L276 M281C8-V12 VanDerWaalsContact O-CG2 3.29Å; C8-V12 WeakPolarHBondContact O-CG2 3.42Å; C8-V12 PolarHBondContact O-N 2.93Å; N9-V12 PolarHBondContact O-N 3.43Å; V12-L15 PolarHBondContact O-N 3.49Å; V12-K16 HydrophobicContact CG1-CD 4.14Å; V12-K16 HydrophobicContact CG1-CG 4.47Å; V12-K16 WeakPolarHBondContact O-CB 3.42Å; V12-K16 VanDerWaalsContact O-CG 3.31Å; V12-K16 WeakPolarHBondContact O-CG 3.44Å; V12-K16 PolarHBondContact O-N 3.22Å; V12-L276 HydrophobicContact CG2-CD2 4.04Å; V12-M281 HydrophobicContact CG1-CB 4.4Å; V12-M281 WeakPolarHBondContact CG1-O 3.43Å; V12-M281 HydrophobicContact CG2-CB 4.21Å; V12-M281 HydrophobicContact CG2-SD 4.48Å
13D87.1Confident80.2Confident100 Ų10063.9 Ų63.954%0.53533%0.331SS..Hα-helixtrans-63.6-41.3175-71.5-19.8000112.1N9 E10 L11 K16 F17N9-D13 PolarHBondContact O-N 3.26Å; E10-D13 PolarHBondContact O-N 3.39Å; L11-D13 VanDerWaalsContact C-N 3.28Å; L11-D13 PolarHBondContact O-N 3.42Å; D13-K16 PolarHBondContact O-N 2.93Å; D13-F17 WeakPolarHBondContact O-CB 3.34Å; D13-F17 PolarHBondContact O-N 3.26Å
14E85.7Confident82.1Confident96 Ų9664.7 Ų64.745%0.44933%0.333SS..Hα-helixtrans-61.9-42.2173.7-76.7-174.1170.500112.2E10 L11 F17 M18E10-E14 WeakPolarHBondContact O-CG 3.49Å; E10-E14 PolarHBondContact O-N 2.91Å; L11-E14 WeakPolarHBondContact O-CB 3.45Å; L11-E14 PolarHBondContact O-N 2.71Å; E14-F17 PolarHBondContact O-N 3.37Å; E14-M18 WeakPolarHBondContact O-CB 3.41Å; E14-M18 PolarHBondContact O-N 3.47Å
15L88Confident84Confident9 Ų959 Ų595%0.04731%0.308CS..Hα-helixtrans-68-40.4177.5-65.7174.1000111.8L11 V12 F17 M18 W19 F253 I267 L276 W282L11-L15 HydrophobicContact CD2-CD1 4.45Å; L11-L15 HydrophobicContact CG-CD1 4.1Å; L11-L15 HydrophobicContact CG-CG 4.42Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 2.82Å; V12-L15 PolarHBondContact O-N 3.49Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-M18 PolarHBondContact O-N 3.44Å; L15-W19 PolarHBondContact O-N 3.05Å; L15-F253 HydrophobicContact CB-CZ 4.18Å; L15-F253 HydrophobicContact CD2-CE1 3.82Å; L15-F253 HydrophobicContact CD2-CZ 3.82Å; L15-F253 WeakPolarHBondContact O-CE2 3.5Å; L15-I267 HydrophobicContact CD2-CD1 4.5Å; L15-I267 HydrophobicContact CD2-CG1 4.2Å; L15-L276 HydrophobicContact CD1-CD1 4.19Å; L15-L276 HydrophobicContact CD1-CD2 3.85Å; L15-W282 HydrophobicContact CB-CH2 4.29Å; L15-W282 HydrophobicContact CB-CZ3 3.7Å
16K91Very high85.8Confident35 Ų3555.7 Ų55.715%0.15229%0.289CS..Hα-helixtrans-58.8-45.8171.8-76.5177.1-179-176.30110.7V12 D13 W19 I20 L247 M281 W282 L288V12-K16 HydrophobicContact CG1-CD 4.14Å; V12-K16 HydrophobicContact CG1-CG 4.47Å; V12-K16 WeakPolarHBondContact O-CB 3.42Å; V12-K16 VanDerWaalsContact O-CG 3.31Å; V12-K16 WeakPolarHBondContact O-CG 3.44Å; V12-K16 PolarHBondContact O-N 3.22Å; D13-K16 PolarHBondContact O-N 2.93Å; K16-W19 PolarHBondContact O-N 2.69Å; K16-I20 VanDerWaalsContact O-CG1 3.3Å; K16-I20 WeakPolarHBondContact O-CG1 3.4Å; K16-I20 PolarHBondContact O-N 2.83Å; K16-L247 HydrophobicContact CG-CD2 4.07Å; K16-M281 WeakPolarHBondContact CE-O 3.44Å; K16-M281 PolarHBondContact NZ-O 3.4Å; K16-M281 VanDerWaalsContact NZ-O 3.11Å; K16-W282 HydrophobicContact CG-CE3 4.47Å; K16-W282 HydrophobicContact CG-CZ3 4.11Å; K16-L288 HydrophobicContact CB-CD1 4.48Å; K16-L288 HydrophobicContact CB-CD2 4.3Å; K16-L288 HydrophobicContact CD-CD2 3.82Å; K16-L288 HydrophobicContact CG-CD2 3.91Å
17F90.8Very high87.3Confident74 Ų7454.7 Ų54.733%0.32528%0.282SS..Hα-helixtrans-63.6-42.6177.3-175.8-94.1000112.4D13 E14 L15 W19 I20 E21 Q27D13-F17 WeakPolarHBondContact O-CB 3.34Å; D13-F17 PolarHBondContact O-N 3.26Å; E14-F17 PolarHBondContact O-N 3.37Å; L15-F17 VanDerWaalsContact C-N 3.33Å; F17-W19 VanDerWaalsContact C-N 3.29Å; F17-W19 PolarHBondContact O-N 2.85Å; F17-I20 PolarHBondContact O-N 3.24Å; F17-E21 WeakPolarHBondContact CE1-OE2 3.49Å; F17-E21 PolarHBondContact O-N 3.3Å; F17-Q27 HydrophobicContact CE2-CB 4.22Å; F17-Q27 HydrophobicContact CZ-CB 4Å
18M89.8Confident88.2Confident50 Ų5056.5 Ų56.525%0.24628%0.281CS..Hα-helixtrans-58.9-41.5175.4-175.1-175.4-59.400111.6M1 E14 L15 E21 H22 F253 T257M1-M18 HydrophobicContact CE-CE 3.66Å; E14-M18 WeakPolarHBondContact O-CB 3.41Å; E14-M18 PolarHBondContact O-N 3.47Å; L15-M18 PolarHBondContact O-N 3.44Å; M18-E21 PolarHBondContact O-N 3.15Å; M18-H22 WeakPolarHBondContact O-CB 3.47Å; M18-H22 PolarHBondContact O-N 3.24Å; M18-F253 HydrophobicContact CB-CE2 4.49Å; M18-F253 HydrophobicContact CB-CZ 4.34Å; M18-F253 HydrophobicContact CG-CZ 4.32Å; M18-F253 HydrophobicContact SD-CZ 3.79Å; M18-T257 HydrophobicContact CG-CG2 4.5Å
19W92.7Very high88.6Confident13 Ų1356.2 Ų56.25%0.04928%0.277CS..Hα-helixtrans-64.9-44.1175-174.5-115.5000112.2L15 K16 F17 E21 H22 E23 V245 N246 P248 F253 N256 T257L15-W19 PolarHBondContact O-N 3.05Å; K16-W19 PolarHBondContact O-N 2.69Å; F17-W19 VanDerWaalsContact C-N 3.29Å; F17-W19 PolarHBondContact O-N 2.85Å; W19-E21 VanDerWaalsContact C-N 3.33Å; W19-E21 PolarHBondContact O-N 3.47Å; W19-H22 HydrophobicContact CE3-CB 4.48Å; W19-H22 AromaticContact CZ3-ND1 3.72Å; W19-H22 WeakPolarHBondContact O-CB 3.35Å; W19-H22 PolarHBondContact O-N 2.96Å; W19-E23 HydrophobicContact CD2-CG 4.2Å; W19-E23 HydrophobicContact CH2-CG 4.45Å; W19-E23 WeakPolarHBondContact CH2-OE1 3.35Å; W19-E23 HydrophobicContact CZ2-CG 3.84Å; W19-E23 WeakPolarHBondContact CZ2-OE1 3.07Å; W19-E23 WeakPolarHBondContact O-CG 3.45Å; W19-E23 PolarHBondContact O-N 3.37Å; W19-V245 HydrophobicContact CG-CG1 4.44Å; W19-V245 VanDerWaalsContact NE1-CG1 3.33Å; W19-N246 PolarHBondContact NE1-O 2.71Å; W19-P248 HydrophobicContact CD2-CG 3.74Å; W19-P248 HydrophobicContact CE3-CG 4.09Å; W19-P248 HydrophobicContact CG-CG 4.27Å; W19-P248 HydrophobicContact CH2-CB 4.14Å; W19-P248 HydrophobicContact CH2-CG 4.1Å; W19-P248 HydrophobicContact CZ2-CB 3.74Å; W19-P248 HydrophobicContact CZ2-CG 3.73Å; W19-P248 HydrophobicContact CZ3-CG 4.26Å; W19-F253 HydrophobicContact CB-CD2 3.96Å; W19-F253 HydrophobicContact CB-CE2 3.79Å; W19-F253 HydrophobicContact CD2-CD2 4.11Å; W19-F253 AromaticContact CE3-CD2 3.61Å; W19-F253 HydrophobicContact CE3-CD2 3.61Å; W19-F253 HydrophobicContact CE3-CE2 4.22Å; W19-F253 HydrophobicContact CG-CD2 4.28Å; W19-F253 HydrophobicContact CZ3-CD2 4.46Å; W19-N256 HydrophobicContact CH2-CB 4.49Å; W19-N256 HydrophobicContact CZ3-CB 4.06Å; W19-T257 HydrophobicContact CE3-CG2 3.84Å; W19-T257 HydrophobicContact CZ3-CG2 4.15Å
20I94Very high89Confident2 Ų255.4 Ų55.41%0.0128%0.278CS..Hα-helixtrans-60.8-43.5176.7-64.4166.9000110.8K16 F17 H22 E23 L24 Y100 V245 L288 D290K16-I20 VanDerWaalsContact O-CG1 3.3Å; K16-I20 WeakPolarHBondContact O-CG1 3.4Å; K16-I20 PolarHBondContact O-N 2.83Å; F17-I20 PolarHBondContact O-N 3.24Å; I20-H22 VanDerWaalsContact C-N 3.33Å; I20-H22 PolarHBondContact O-N 2.94Å; I20-E23 PolarHBondContact O-N 3.19Å; I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.39Å; I20-L24 WeakPolarHBondContact O-CB 3.46Å; I20-L24 PolarHBondContact O-N 2.96Å; I20-Y100 HydrophobicContact CG2-CD2 3.93Å; I20-Y100 HydrophobicContact CG2-CE2 3.32Å; I20-V245 HydrophobicContact CG1-CB 4.49Å; I20-V245 HydrophobicContact CG1-CG1 4.45Å; I20-L288 HydrophobicContact CD1-CB 4.08Å; I20-L288 HydrophobicContact CD1-CD1 3.96Å; I20-L288 HydrophobicContact CG1-CB 4.32Å; I20-L288 HydrophobicContact CG1-CD1 3.6Å; I20-D290 HydrophobicContact CD1-CB 3.71Å
21E91.6Very high89.5Confident82 Ų8256.2 Ų56.238%0.38329%0.285SS..Hα-helixtrans-66.9-32177.7177161.6-154.800112.7F17 M18 W19 G25 P26F17-E21 WeakPolarHBondContact CE1-OE2 3.49Å; F17-E21 PolarHBondContact O-N 3.3Å; M18-E21 PolarHBondContact O-N 3.15Å; W19-E21 VanDerWaalsContact C-N 3.33Å; W19-E21 PolarHBondContact O-N 3.47Å; E21-G25 WeakPolarHBondContact CA-O 3.43Å; E21-G25 CarbonylContact O-C 3.55Å; E21-G25 VanDerWaalsContact O-C 3.28Å; E21-G25 WeakPolarHBondContact O-CA 3.29Å; E21-G25 PolarHBondContact O-N 3.46Å; E21-P26 WeakPolarHBondContact OE1-CA 3.25Å; E21-P26 WeakPolarHBondContact OE1-CB 3.47Å
22H90.6Very high90.1Very high86 Ų8661.1 Ų61.140%0.39832%0.315SS..Hα-helixtrans-64.3-46.6171.1176-89.1000112M18 W19 I20 N256 T257M18-H22 WeakPolarHBondContact O-CB 3.47Å; M18-H22 PolarHBondContact O-N 3.24Å; W19-H22 HydrophobicContact CE3-CB 4.48Å; W19-H22 AromaticContact CZ3-ND1 3.72Å; W19-H22 WeakPolarHBondContact O-CB 3.35Å; W19-H22 PolarHBondContact O-N 2.96Å; I20-H22 VanDerWaalsContact C-N 3.33Å; I20-H22 PolarHBondContact O-N 2.94Å; H22-N256 PolarHBondContact NE2-O 3Å; H22-T257 HydrophobicContact CB-CG2 3.66Å
23E92.1Very high90.4Very high93 Ų9366.6 Ų66.644%0.43534%0.336SS..Hα-helixtrans-78.2-38.8-175.3-67.4-61.6118.500113.7W19 I20 V245W19-E23 HydrophobicContact CD2-CG 4.2Å; W19-E23 HydrophobicContact CH2-CG 4.45Å; W19-E23 WeakPolarHBondContact CH2-OE1 3.35Å; W19-E23 HydrophobicContact CZ2-CG 3.84Å; W19-E23 WeakPolarHBondContact CZ2-OE1 3.07Å; W19-E23 WeakPolarHBondContact O-CG 3.45Å; W19-E23 PolarHBondContact O-N 3.37Å; I20-E23 PolarHBondContact O-N 3.19Å; E23-V245 HydrophobicContact CB-CG1 4.26Å; E23-V245 HydrophobicContact CB-CG2 3.71Å; E23-V245 HydrophobicContact CG-CG1 4Å; E23-V245 HydrophobicContact CG-CG2 4.34Å
24L90.9Very high90.6Very high68 Ų6863.2 Ų63.236%0.35632%0.317SS..Hα-helixtrans-103.9-7.8-175.9-59.2-177.8000113.8I20 Y100 A244 V245I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.39Å; I20-L24 WeakPolarHBondContact O-CB 3.46Å; I20-L24 PolarHBondContact O-N 2.96Å; L24-Y100 HydrophobicContact CB-CD1 4.2Å; L24-Y100 HydrophobicContact CB-CE1 3.78Å; L24-Y100 HydrophobicContact CD1-CD1 3.96Å; L24-Y100 HydrophobicContact CD1-CD2 4.43Å; L24-Y100 HydrophobicContact CD1-CE1 4.2Å; L24-Y100 HydrophobicContact CD1-CG 4.09Å; L24-A244 HydrophobicContact CD1-CB 4.35Å; L24-A244 HydrophobicContact CD2-CB 3.88Å; L24-V245 HydrophobicContact CD1-CG2 3.97Å; L24-V245 HydrophobicContact CD2-CG2 4.07Å; L24-V245 HydrophobicContact CG-CG2 3.72Å
25G89.5Confident91Very high24 Ų2463 Ų6325%0.24732%0.318CS..  trans78.9-177.1-168.100000112.7E21 Q27 Y100E21-G25 WeakPolarHBondContact CA-O 3.43Å; E21-G25 CarbonylContact O-C 3.55Å; E21-G25 VanDerWaalsContact O-C 3.28Å; E21-G25 WeakPolarHBondContact O-CA 3.29Å; E21-G25 PolarHBondContact O-N 3.46Å; G25-Q27 PolarHBondContact O-N 3.08Å; G25-Y100 PolarHBondContact O-OH 3.2Å
26P89.7Confident91.2Very high75 Ų7567.9 Ų67.949%0.48734%0.343SS..  trans-63.6132.4-173.526.4-35.5000112.6E21 R28E21-P26 WeakPolarHBondContact OE1-CA 3.25Å; E21-P26 WeakPolarHBondContact OE1-CB 3.47Å; P26-R28 PolarHBondContact O-N 3.46Å; P26-R28 VanDerWaalsContact O-N 3.07Å
27Q90.6Very high91.2Very high21 Ų2167.3 Ų67.310%0.09834%0.342CS..SBendtrans-56-30.7177.9-173.5177.770.100112.3F17 G25 K98 S99 Y100F17-Q27 HydrophobicContact CE2-CB 4.22Å; F17-Q27 HydrophobicContact CZ-CB 4Å; G25-Q27 PolarHBondContact O-N 3.08Å; Q27-K98 HydrophobicContact CG-CB 3.96Å; Q27-K98 HydrophobicContact CG-CD 4.25Å; Q27-K98 HydrophobicContact CG-CG 3.99Å; Q27-S99 PolarHBondContact O-N 3.43Å; Q27-Y100 WeakPolarHBondContact CA-OH 3.38Å; Q27-Y100 HydrophobicContact CB-CE1 4.21Å; Q27-Y100 HydrophobicContact CB-CE2 3.84Å; Q27-Y100 HydrophobicContact CG-CD2 4.16Å; Q27-Y100 HydrophobicContact CG-CE2 3.87Å; Q27-Y100 WeakPolarHBondContact CG-O 3.46Å; Q27-Y100 PolarHBondContact N-OH 2.98Å; Q27-Y100 PolarHBondContact NE2-O 3.29Å
28R91.8Very high91.4Very high130 Ų13064.1 Ų64.149%0.49133%0.33SS..SBendtrans-127.7130177-58.5-164.8160.8150-6.2109.9P26 N97 K98P26-R28 PolarHBondContact O-N 3.46Å; P26-R28 VanDerWaalsContact O-N 3.07Å; R28-N97 WeakPolarHBondContact CD-O 3.49Å; R28-N97 VanDerWaalsContact CG-O 3.23Å; R28-N97 WeakPolarHBondContact CG-O 3.41Å; R28-N97 PolarHBondContact NE-O 3.16Å; R28-N97 PolarHBondContact NH2-OD1 3.1Å; R28-N97 VanDerWaalsContact NH2-OD1 3.09Å; R28-K98 HydrophobicContact CG-CG 4.41Å
29M86.2Confident91.6Very high26 Ų2667 Ų6713%0.12835%0.345CS..  trans-67.8163.6170.769.9-171.36800111.2R33 Q34 I37 V95M29-R33 HydrophobicContact CB-CB 4.46Å; M29-R33 HydrophobicContact CG-CB 4.15Å; M29-R33 HydrophobicContact SD-CB 4.05Å; M29-Q34 HydrophobicContact CG-CB 4.29Å; M29-Q34 HydrophobicContact CG-CG 3.2Å; M29-Q34 PolarHBondContact O-NE2 3.4Å; M29-Q34 HydrophobicContact SD-CG 3.9Å; M29-I37 HydrophobicContact SD-CD1 3.85Å; M29-V95 HydrophobicContact CE-CB 4.03Å; M29-V95 HydrophobicContact CE-CG1 3.73Å; M29-V95 HydrophobicContact CE-CG2 4.18Å; M29-V95 WeakPolarHBondContact CE-O 3.46Å; M29-V95 HydrophobicContact SD-CG1 3.88Å
30S90.8Very high91.6Very high65 Ų6568.5 Ų68.546%0.45536%0.355SS..  trans-58144.9177.867.10000112T32 R33 Q34S30-T32 PolarHBondContact O-N 3.42Å; S30-T32 VanDerWaalsContact O-N 3.15Å; S30-R33 WeakPolarHBondContact O-CA 3.42Å; S30-R33 WeakPolarHBondContact O-CB 3.48Å; S30-R33 PolarHBondContact O-N 2.9Å; S30-R33 WeakPolarHBondContact OG-CG 3.26Å; S30-Q34 PolarHBondContact O-N 3.18Å
31L91.7Very high91.7Very high119 Ų11968.9 Ų68.962%0.62336%0.357SS*.Hα-helixtrans-53.4-40.4-175.5-178.463.1000112.5R33 Q34 I35L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.47Å; L31-Q34 PolarHBondContact O-N 2.87Å; L31-I35 HydrophobicContact CD1-CD1 4.03Å; L31-I35 HydrophobicContact CD1-CG1 4.24Å; L31-I35 HydrophobicContact CD2-CD1 4.47Å; L31-I35 HydrophobicContact CG-CD1 3.84Å; L31-I35 HydrophobicContact CG-CG1 4.43Å; L31-I35 VanDerWaalsContact O-CG1 3.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.32Å; L31-I35 PolarHBondContact O-N 2.8Å
32T93.2Very high91.8Very high112 Ų11268.2 Ų68.269%0.68736%0.358SS*.Hα-helixtrans-59.4-42.7176.5-49.10000112.3S30 L36S30-T32 PolarHBondContact O-N 3.42Å; S30-T32 VanDerWaalsContact O-N 3.15Å; T32-L36 WeakPolarHBondContact O-CB 3.41Å; T32-L36 PolarHBondContact O-N 3.48Å
33R90.5Very high92Very high118 Ų11866.6 Ų66.645%0.44536%0.36SS..Hα-helixtrans-67.9-43.1177.2-70.2-179.8-173.1-1592.6111M29 S30 L31 I35 L36 I37 D413M29-R33 HydrophobicContact CB-CB 4.46Å; M29-R33 HydrophobicContact CG-CB 4.15Å; M29-R33 HydrophobicContact SD-CB 4.05Å; S30-R33 WeakPolarHBondContact O-CA 3.42Å; S30-R33 WeakPolarHBondContact O-CB 3.48Å; S30-R33 PolarHBondContact O-N 2.9Å; S30-R33 WeakPolarHBondContact OG-CG 3.26Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.47Å; R33-I35 PolarHBondContact O-N 2.83Å; R33-L36 PolarHBondContact O-N 3.24Å; R33-I37 WeakPolarHBondContact O-CG1 3.21Å; R33-I37 PolarHBondContact O-N 2.75Å; R33-D413 IonicContact NH1-OD2 2.8Å; R33-D413 PolarHBondContact NH1-OD2 3.5Å; R33-D413 VanDerWaalsContact NH1-OD2 3.15Å
34Q92.1Very high92.2Very high30 Ų3062.4 Ų62.414%0.1434%0.341CS..Hα-helixtrans-57.1-49.4176-63.8-174.622.200111.4M29 S30 L31 L36 G38 L96M29-Q34 HydrophobicContact CG-CB 4.29Å; M29-Q34 HydrophobicContact CG-CG 3.2Å; M29-Q34 PolarHBondContact O-NE2 3.4Å; M29-Q34 HydrophobicContact SD-CG 3.9Å; S30-Q34 PolarHBondContact O-N 3.18Å; L31-Q34 PolarHBondContact O-N 2.87Å; Q34-L36 PolarHBondContact O-N 3.15Å; Q34-G38 WeakPolarHBondContact O-CA 3.3Å; Q34-G38 PolarHBondContact O-N 2.88Å; Q34-L96 HydrophobicContact CB-CD2 4.43Å; Q34-L96 WeakPolarHBondContact O-CD2 3.42Å; Q34-L96 PolarHBondContact OE1-O 3.42Å
35I92.6Very high92.5Very high92 Ų9262.4 Ų62.447%0.47234%0.338SS..Hα-helixtrans-62.3-46180-68.2170.2000110.3L31 R33 G38 I39L31-I35 HydrophobicContact CD1-CD1 4.03Å; L31-I35 HydrophobicContact CD1-CG1 4.24Å; L31-I35 HydrophobicContact CD2-CD1 4.47Å; L31-I35 HydrophobicContact CG-CD1 3.84Å; L31-I35 HydrophobicContact CG-CG1 4.43Å; L31-I35 VanDerWaalsContact O-CG1 3.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.32Å; L31-I35 PolarHBondContact O-N 2.8Å; R33-I35 PolarHBondContact O-N 2.83Å; I35-G38 PolarHBondContact O-N 3.32Å; I35-I39 HydrophobicContact CG2-CD1 3.71Å; I35-I39 HydrophobicContact CG2-CG1 4.41Å; I35-I39 WeakPolarHBondContact O-CB 3.38Å; I35-I39 VanDerWaalsContact O-CG1 3.23Å; I35-I39 WeakPolarHBondContact O-CG1 3.5Å; I35-I39 PolarHBondContact O-N 3.39Å
36L93.2Very high92.8Very high111 Ų11164.1 Ų64.158%0.58135%0.345SS*.Hα-helixtrans-61.7-52.3-179.1-178.964.6000111.9T32 R33 Q34 G38 I39 V40T32-L36 WeakPolarHBondContact O-CB 3.41Å; T32-L36 PolarHBondContact O-N 3.48Å; R33-L36 PolarHBondContact O-N 3.24Å; Q34-L36 PolarHBondContact O-N 3.15Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 3.19Å; L36-I39 PolarHBondContact O-N 3.2Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.34Å; L36-V40 PolarHBondContact O-N 3.22Å; L36-V40 VanDerWaalsContact O-N 3.09Å
37I92Very high93.1Very high23 Ų2364 Ų6412%0.11834%0.343CS..Hα-helixtrans-65.6-39.8-179.9-60.6169.3000110M29 R33 I39 V40 Y41 V95 Y417M29-I37 HydrophobicContact SD-CD1 3.85Å; R33-I37 WeakPolarHBondContact O-CG1 3.21Å; R33-I37 PolarHBondContact O-N 2.75Å; I37-I39 PolarHBondContact O-N 3.35Å; I37-V40 PolarHBondContact O-N 2.75Å; I37-Y41 HydrophobicContact CG2-CD1 4.31Å; I37-Y41 HydrophobicContact CG2-CD2 3.84Å; I37-Y41 HydrophobicContact CG2-CE1 4.22Å; I37-Y41 HydrophobicContact CG2-CE2 3.73Å; I37-Y41 HydrophobicContact CG2-CG 4.14Å; I37-Y41 WeakPolarHBondContact O-CB 3.4Å; I37-Y41 PolarHBondContact O-N 3.23Å; I37-V95 HydrophobicContact CB-CG1 3.84Å; I37-V95 HydrophobicContact CD1-CG1 4.28Å; I37-V95 HydrophobicContact CG2-CG1 3.6Å; I37-V95 HydrophobicContact CG2-CG2 4.38Å; I37-Y417 HydrophobicContact CD1-CD1 3.66Å; I37-Y417 HydrophobicContact CD1-CE1 3.6Å
38G93.3Very high93.4Very high7 Ų763 Ų637%0.07234%0.339CS..Hα-helixtrans-57.5-47.3175.700000113.1Q34 I35 L36 T42Q34-G38 WeakPolarHBondContact O-CA 3.3Å; Q34-G38 PolarHBondContact O-N 2.88Å; I35-G38 PolarHBondContact O-N 3.32Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 3.19Å; G38-T42 VanDerWaalsContact O-CB 3.24Å; G38-T42 WeakPolarHBondContact O-CB 3.21Å; G38-T42 PolarHBondContact O-N 3.35Å; G38-T42 PolarHBondContact O-OG1 3.39Å
39I94Very high93.6Very high110 Ų11058.7 Ų58.756%0.56433%0.325SS*.Hα-helixtrans-60.6-46.7175.5-70.2166.1000110.4I35 L36 I37 T42 A43I35-I39 HydrophobicContact CG2-CD1 3.71Å; I35-I39 HydrophobicContact CG2-CG1 4.41Å; I35-I39 WeakPolarHBondContact O-CB 3.38Å; I35-I39 VanDerWaalsContact O-CG1 3.23Å; I35-I39 WeakPolarHBondContact O-CG1 3.5Å; I35-I39 PolarHBondContact O-N 3.39Å; L36-I39 PolarHBondContact O-N 3.2Å; I37-I39 PolarHBondContact O-N 3.35Å; I39-T42 PolarHBondContact O-N 3.02Å; I39-A43 WeakPolarHBondContact O-CB 3.39Å; I39-A43 PolarHBondContact O-N 3.16Å
40V94.4Very high94.1Very high45 Ų4563.2 Ų63.227%0.27335%0.349SS..Hα-helixtrans-62.9-50-178.3170.90000111.5L36 I37 T42 A43 I44 F421L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.34Å; L36-V40 PolarHBondContact O-N 3.22Å; L36-V40 VanDerWaalsContact O-N 3.09Å; I37-V40 PolarHBondContact O-N 2.75Å; V40-T42 VanDerWaalsContact C-N 3.35Å; V40-T42 PolarHBondContact O-N 3.25Å; V40-A43 PolarHBondContact O-N 3.19Å; V40-I44 HydrophobicContact CG1-CD1 3.99Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 3.02Å; V40-F421 HydrophobicContact CG1-CD2 3.36Å; V40-F421 HydrophobicContact CG1-CE2 3.5Å; V40-F421 VanDerWaalsContact CG1-CE2 3.5Å
41Y95Very high94.4Very high9 Ų961 Ų614%0.03534%0.336CS..Hα-helixtrans-66.8-35.8179.2-76.40.8000112.3I37 I44 F45 L88 E91 L92 V95 Y424I37-Y41 HydrophobicContact CG2-CD1 4.31Å; I37-Y41 HydrophobicContact CG2-CD2 3.84Å; I37-Y41 HydrophobicContact CG2-CE1 4.22Å; I37-Y41 HydrophobicContact CG2-CE2 3.73Å; I37-Y41 HydrophobicContact CG2-CG 4.14Å; I37-Y41 WeakPolarHBondContact O-CB 3.4Å; I37-Y41 PolarHBondContact O-N 3.23Å; Y41-I44 HydrophobicContact CD1-CD1 4.25Å; Y41-I44 PolarHBondContact O-N 3.02Å; Y41-F45 WeakPolarHBondContact O-CB 3.36Å; Y41-F45 PolarHBondContact O-N 2.8Å; Y41-L88 HydrophobicContact CD1-CD1 4.39Å; Y41-L88 HydrophobicContact CD2-CD1 3.79Å; Y41-L88 HydrophobicContact CE2-CD1 4.25Å; Y41-L88 HydrophobicContact CG-CD1 3.87Å; Y41-E91 HydrophobicContact CE2-CG 3.85Å; Y41-L92 HydrophobicContact CD2-CD1 4.05Å; Y41-L92 HydrophobicContact CG-CD1 4.49Å; Y41-V95 HydrophobicContact CE2-CG2 4.35Å; Y41-Y424 HydrophobicContact CE1-CD2 4.42Å
42T93.6Very high94.6Very high68 Ų6855.3 Ų55.342%0.41731%0.306SS..Hα-helixtrans-64.3-42.2173.4-57.40000111.2G38 I39 V40 F45 C46G38-T42 VanDerWaalsContact O-CB 3.24Å; G38-T42 WeakPolarHBondContact O-CB 3.21Å; G38-T42 PolarHBondContact O-N 3.35Å; G38-T42 PolarHBondContact O-OG1 3.39Å; I39-T42 PolarHBondContact O-N 3.02Å; V40-T42 VanDerWaalsContact C-N 3.35Å; V40-T42 PolarHBondContact O-N 3.25Å; T42-F45 PolarHBondContact O-N 3.12Å; T42-C46 WeakPolarHBondContact O-CB 3.46Å; T42-C46 PolarHBondContact O-N 2.64Å; T42-C46 PolarHBondContact O-SG 3.33Å; T42-C46 VanDerWaalsContact O-SG 3.34Å
43A95.2Very high94.8Very high53 Ų5353.5 Ų53.544%0.43829%0.292SS..Hα-helixtrans-63.8-43.5175.600000112I39 V40 T47I39-A43 WeakPolarHBondContact O-CB 3.39Å; I39-A43 PolarHBondContact O-N 3.16Å; V40-A43 PolarHBondContact O-N 3.19Å; A43-T47 WeakPolarHBondContact O-CB 3.48Å; A43-T47 WeakPolarHBondContact O-CG2 3.45Å; A43-T47 PolarHBondContact O-N 3.31Å; A43-T47 PolarHBondContact O-OG1 3.43Å
44I96.2Very high95Very high5 Ų548.4 Ų48.43%0.02628%0.276CS..Hα-helixtrans-60.2-48.6174.6-69.8170.4000110.5V40 Y41 C46 T47 G48 L84 L88 F421 M425 T428V40-I44 HydrophobicContact CG1-CD1 3.99Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 3.02Å; Y41-I44 HydrophobicContact CD1-CD1 4.25Å; Y41-I44 PolarHBondContact O-N 3.02Å; I44-C46 PolarHBondContact O-N 2.97Å; I44-T47 PolarHBondContact O-OG1 2.91Å; I44-G48 WeakPolarHBondContact O-CA 3.49Å; I44-G48 PolarHBondContact O-N 3.07Å; I44-L84 HydrophobicContact CG2-CD2 4.13Å; I44-L88 HydrophobicContact CG2-CD2 4.46Å; I44-F421 HydrophobicContact CD1-CD2 3.82Å; I44-F421 HydrophobicContact CD1-CE2 3.88Å; I44-M425 HydrophobicContact CD1-CB 4.32Å; I44-M425 HydrophobicContact CD1-SD 4.49Å; I44-M425 HydrophobicContact CG1-SD 4.11Å; I44-T428 PolarHBondContact O-OG1 3.41Å
45F96.1Very high95.1Very high68 Ų6847 Ų4730%0.29827%0.269SS..Hα-helixtrans-56.1-54178.4-178.5-98.8000111.4Y41 T42 L49 L84 L88Y41-F45 WeakPolarHBondContact O-CB 3.36Å; Y41-F45 PolarHBondContact O-N 2.8Å; T42-F45 PolarHBondContact O-N 3.12Å; F45-L49 HydrophobicContact CE1-CD2 3.9Å; F45-L49 HydrophobicContact CZ-CD2 4.02Å; F45-L49 WeakPolarHBondContact O-CB 3.49Å; F45-L49 PolarHBondContact O-N 3.29Å; F45-L84 HydrophobicContact CD2-CB 4.4Å; F45-L84 WeakPolarHBondContact CD2-O 3.17Å; F45-L84 VanDerWaalsContact CE2-O 3.27Å; F45-L84 WeakPolarHBondContact CE2-O 2.93Å; F45-L88 HydrophobicContact CB-CD2 3.8Å; F45-L88 HydrophobicContact CD2-CD2 4.22Å
46C96.3Very high95.3Very high60 Ų6043.4 Ų43.441%0.40525%0.252SS..Hα-helixtrans-62-49.1-177.8-70.90000112.2T42 I44 L50T42-C46 WeakPolarHBondContact O-CB 3.46Å; T42-C46 PolarHBondContact O-N 2.64Å; T42-C46 PolarHBondContact O-SG 3.33Å; T42-C46 VanDerWaalsContact O-SG 3.34Å; I44-C46 PolarHBondContact O-N 2.97Å; C46-L50 WeakPolarHBondContact O-CB 3.45Å; C46-L50 WeakPolarHBondContact O-CG 3.3Å; C46-L50 PolarHBondContact O-N 3.12Å
47T96.1Very high95.4Very high72 Ų7241 Ų4144%0.44224%0.239SC..Hα-helixtrans-68.3-42.7-177.753.80000112.3A43 I44 G51 T428A43-T47 WeakPolarHBondContact O-CB 3.48Å; A43-T47 WeakPolarHBondContact O-CG2 3.45Å; A43-T47 PolarHBondContact O-N 3.31Å; A43-T47 PolarHBondContact O-OG1 3.43Å; I44-T47 PolarHBondContact O-OG1 2.91Å; T47-G51 PolarHBondContact O-N 3.41Å; T47-T428 WeakPolarHBondContact OG1-CG2 3.44Å; T47-T428 PolarHBondContact OG1-OG1 2.95Å
48G96.9Very high95.5Very high0 Ų040 Ų400%023%0.233CC..Hα-helixtrans-68-4217800000112.7I44 N52 T428I44-G48 WeakPolarHBondContact O-CA 3.49Å; I44-G48 PolarHBondContact O-N 3.07Å; G48-N52 WeakPolarHBondContact O-CB 3.48Å; G48-N52 PolarHBondContact O-N 3.24Å; G48-N52 PolarHBondContact O-ND2 3.08Å; G48-T428 WeakPolarHBondContact CA-OG1 3.31Å; G48-T428 PolarHBondContact N-OG1 3.46Å
49L97.2Very high95.5Very high39 Ų3940 Ų4020%0.20423%0.232CC..Hα-helixtrans-61.9-53.2176.6-177.370000110.5F45 G51 L53 L81 I85F45-L49 HydrophobicContact CE1-CD2 3.9Å; F45-L49 HydrophobicContact CZ-CD2 4.02Å; F45-L49 WeakPolarHBondContact O-CB 3.49Å; F45-L49 PolarHBondContact O-N 3.29Å; L49-G51 PolarHBondContact O-N 2.96Å; L49-L53 HydrophobicContact CD1-CD1 3.91Å; L49-L53 HydrophobicContact CD1-CG 4.27Å; L49-L53 HydrophobicContact CG-CD1 3.86Å; L49-L53 HydrophobicContact CG-CG 4.5Å; L49-L53 VanDerWaalsContact O-CB 3.24Å; L49-L53 WeakPolarHBondContact O-CB 3.22Å; L49-L53 VanDerWaalsContact O-CG 3.22Å; L49-L53 WeakPolarHBondContact O-CG 3.16Å; L49-L53 PolarHBondContact O-N 2.97Å; L49-L81 HydrophobicContact CD1-CD2 3.75Å; L49-I85 HydrophobicContact CD1-CD1 3.94Å; L49-I85 HydrophobicContact CD1-CG1 3.88Å
50L96.3Very high95.6Very high122 Ų12237.4 Ų37.464%0.63923%0.227SC*.Hα-helixtrans-60.6-46179.8-70.2173.3000111.8C46 A54C46-L50 WeakPolarHBondContact O-CB 3.45Å; C46-L50 WeakPolarHBondContact O-CG 3.3Å; C46-L50 PolarHBondContact O-N 3.12Å; L50-A54 WeakPolarHBondContact O-CB 3.45Å; L50-A54 PolarHBondContact O-N 3.21Å
51G95.9Very high95.6Very high17 Ų1744 Ų4418%0.17525%0.247CC..Hα-helixtrans-65-45.3-17800000113.3T47 L49 T55T47-G51 PolarHBondContact O-N 3.41Å; L49-G51 PolarHBondContact O-N 2.96Å; G51-T55 WeakPolarHBondContact O-CB 3.49Å; G51-T55 PolarHBondContact O-N 3.41Å; G51-T55 PolarHBondContact O-OG1 3.37Å
52N96.7Very high95.3Very high0 Ų044.6 Ų44.60%025%0.251CS..Hα-helixtrans-76-37.1-178.7-72.9-62.8000112.2G48 A54 T55 C56 S77 L81 A427 P431G48-N52 WeakPolarHBondContact O-CB 3.48Å; G48-N52 PolarHBondContact O-N 3.24Å; G48-N52 PolarHBondContact O-ND2 3.08Å; N52-A54 PolarHBondContact O-N 2.81Å; N52-T55 WeakPolarHBondContact O-CB 3.42Å; N52-T55 PolarHBondContact O-N 2.87Å; N52-C56 PolarHBondContact O-N 3.23Å; N52-C56 PolarHBondContact O-SG 3.46Å; N52-C56 VanDerWaalsContact O-SG 3.39Å; N52-S77 WeakPolarHBondContact OD1-CA 3.11Å; N52-S77 WeakPolarHBondContact OD1-CB 3.5Å; N52-S77 PolarHBondContact OD1-OG 3.42Å; N52-L81 HydrophobicContact CB-CD1 4.18Å; N52-L81 HydrophobicContact CB-CD2 3.79Å; N52-L81 HydrophobicContact CB-CG 3.65Å; N52-A427 PolarHBondContact ND2-O 2.88Å; N52-P431 HydrophobicContact CB-CG 4.41Å; N52-P431 WeakPolarHBondContact OD1-CG 3.42Å
53L97Very high95.1Very high74 Ų7445.9 Ų45.939%0.38726%0.262SS..Hα-helixtrans-59.6-47.1170.6-75.6175.6000111L49 T55 C56 I57 L81L49-L53 HydrophobicContact CD1-CD1 3.91Å; L49-L53 HydrophobicContact CD1-CG 4.27Å; L49-L53 HydrophobicContact CG-CD1 3.86Å; L49-L53 HydrophobicContact CG-CG 4.5Å; L49-L53 VanDerWaalsContact O-CB 3.24Å; L49-L53 WeakPolarHBondContact O-CB 3.22Å; L49-L53 VanDerWaalsContact O-CG 3.22Å; L49-L53 WeakPolarHBondContact O-CG 3.16Å; L49-L53 PolarHBondContact O-N 2.97Å; L53-T55 VanDerWaalsContact C-N 3.27Å; L53-T55 PolarHBondContact O-N 3.31Å; L53-C56 PolarHBondContact O-N 2.95Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.33Å; L53-I57 PolarHBondContact O-N 3.32Å; L53-L81 HydrophobicContact CD2-CD1 3.89Å; L53-L81 HydrophobicContact CD2-CD2 4.04Å; L53-L81 HydrophobicContact CG-CD1 4.36Å; L53-L81 HydrophobicContact CG-CD2 3.78Å
54A95.1Very high94.7Very high12 Ų1247.8 Ų47.810%0.09926%0.261CS..Hα-helixtrans-60.5-39.1176.900000111.9L50 N52 I57 V58 F445 F449L50-A54 WeakPolarHBondContact O-CB 3.45Å; L50-A54 PolarHBondContact O-N 3.21Å; N52-A54 PolarHBondContact O-N 2.81Å; A54-I57 PolarHBondContact O-N 2.93Å; A54-V58 VanDerWaalsContact O-CB 3.32Å; A54-V58 WeakPolarHBondContact O-CB 3.22Å; A54-V58 WeakPolarHBondContact O-CG2 3.45Å; A54-V58 PolarHBondContact O-N 3.35Å; A54-F445 HydrophobicContact CB-CE2 3.85Å; A54-F449 HydrophobicContact CB-CE2 3.98Å; A54-F449 HydrophobicContact CB-CZ 4.07Å
55T94.9Very high94.4Very high1 Ų147.6 Ų47.61%0.00626%0.26CS..Hα-helixtrans-61.1-48.3175.5-60.80000111.8G51 N52 L53 I57 V58 I59 S77 F441G51-T55 WeakPolarHBondContact O-CB 3.49Å; G51-T55 PolarHBondContact O-N 3.41Å; G51-T55 PolarHBondContact O-OG1 3.37Å; N52-T55 WeakPolarHBondContact O-CB 3.42Å; N52-T55 PolarHBondContact O-N 2.87Å; L53-T55 VanDerWaalsContact C-N 3.27Å; L53-T55 PolarHBondContact O-N 3.31Å; T55-I57 PolarHBondContact O-N 3.14Å; T55-V58 PolarHBondContact O-N 3.4Å; T55-I59 HydrophobicContact CG2-CD1 3.82Å; T55-I59 VanDerWaalsContact O-CG1 3.32Å; T55-I59 WeakPolarHBondContact O-CG1 3.4Å; T55-I59 PolarHBondContact O-N 2.96Å; T55-I59 VanDerWaalsContact O-N 3.08Å; T55-S77 WeakPolarHBondContact CB-OG 3.38Å; T55-S77 VanDerWaalsContact CG2-OG 3.23Å; T55-S77 WeakPolarHBondContact CG2-OG 3.22Å; T55-F441 HydrophobicContact CG2-CE2 3.93Å; T55-F441 HydrophobicContact CG2-CZ 4.03Å
56C96.3Very high94.1Very high16 Ų1649 Ų4911%0.10827%0.268CS..Hα-helixtrans-58.2-48.7174.9-69.70000111.7N52 L53 V58 I59 A60 F74 S77N52-C56 PolarHBondContact O-N 3.23Å; N52-C56 PolarHBondContact O-SG 3.46Å; N52-C56 VanDerWaalsContact O-SG 3.39Å; L53-C56 PolarHBondContact O-N 2.95Å; C56-V58 PolarHBondContact O-N 2.97Å; C56-I59 PolarHBondContact O-N 2.92Å; C56-A60 VanDerWaalsContact O-CB 3.27Å; C56-A60 WeakPolarHBondContact O-CB 3.27Å; C56-A60 PolarHBondContact O-N 3.15Å; C56-F74 HydrophobicContact CB-CD2 4.16Å; C56-F74 HydrophobicContact CB-CE2 3.71Å; C56-F74 HydrophobicContact CB-CZ 4.31Å; C56-S77 VanDerWaalsContact SG-CB 3.58Å
57I95.7Very high93.6Very high61 Ų6148.2 Ų48.231%0.31326%0.261SS..Hα-helixtrans-62.4-46.2-179.1-67.1165.4000111.3L53 A54 T55 I59 A60 R61 T448 F449L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.33Å; L53-I57 PolarHBondContact O-N 3.32Å; A54-I57 PolarHBondContact O-N 2.93Å; T55-I57 PolarHBondContact O-N 3.14Å; I57-I59 VanDerWaalsContact C-N 3.35Å; I57-I59 PolarHBondContact O-N 3.5Å; I57-A60 PolarHBondContact O-N 3.28Å; I57-R61 HydrophobicContact CG2-CG 4.24Å; I57-R61 WeakPolarHBondContact O-CB 3.5Å; I57-R61 WeakPolarHBondContact O-CG 3.07Å; I57-R61 PolarHBondContact O-N 2.82Å; I57-T448 HydrophobicContact CG2-CG2 3.91Å; I57-F449 HydrophobicContact CB-CZ 4.41Å; I57-F449 HydrophobicContact CD1-CZ 4.47Å; I57-F449 HydrophobicContact CG2-CZ 4.13Å
58V94.1Very high93.2Very high0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-62.3-42.5-179.5167.90000111.1A54 T55 C56 N62 M65 F441 A444 F445 T448 F449A54-V58 VanDerWaalsContact O-CB 3.32Å; A54-V58 WeakPolarHBondContact O-CB 3.22Å; A54-V58 WeakPolarHBondContact O-CG2 3.45Å; A54-V58 PolarHBondContact O-N 3.35Å; T55-V58 PolarHBondContact O-N 3.4Å; C56-V58 PolarHBondContact O-N 2.97Å; V58-N62 WeakPolarHBondContact O-CB 3.12Å; V58-N62 PolarHBondContact O-N 3.21Å; V58-N62 PolarHBondContact O-ND2 2.7Å; V58-M65 HydrophobicContact CG1-CE 4.47Å; V58-F441 HydrophobicContact CB-CE2 4.47Å; V58-F441 HydrophobicContact CG1-CD2 4.45Å; V58-F441 HydrophobicContact CG1-CE2 4.15Å; V58-F441 HydrophobicContact CG1-CZ 4.49Å; V58-A444 HydrophobicContact CG1-CB 3.49Å; V58-A444 VanDerWaalsContact CG1-CB 3.49Å; V58-F445 HydrophobicContact CG2-CB 4.24Å; V58-F445 HydrophobicContact CG2-CD2 4.02Å; V58-F445 HydrophobicContact CG2-CG 4.46Å; V58-T448 HydrophobicContact CG2-CG2 4.27Å; V58-F449 HydrophobicContact CG2-CD2 4.35Å; V58-F449 HydrophobicContact CG2-CE2 3.77Å
59I93.4Very high92.7Very high8 Ų849.7 Ų49.74%0.04126%0.261CS..Hα-helixtrans-70.3-42.3178.8-65.4165.8000110.5T55 C56 I57 M65 H66 N70 L73 F74T55-I59 HydrophobicContact CG2-CD1 3.82Å; T55-I59 VanDerWaalsContact O-CG1 3.32Å; T55-I59 WeakPolarHBondContact O-CG1 3.4Å; T55-I59 PolarHBondContact O-N 2.96Å; T55-I59 VanDerWaalsContact O-N 3.08Å; C56-I59 PolarHBondContact O-N 2.92Å; I57-I59 VanDerWaalsContact C-N 3.35Å; I57-I59 PolarHBondContact O-N 3.5Å; I59-M65 HydrophobicContact CG1-CE 4.49Å; I59-H66 PolarHBondContact O-CD2 3.2Å; I59-H66 PolarHBondContact O-NE2 3.33Å; I59-N70 HydrophobicContact CD1-CB 4.36Å; I59-N70 HydrophobicContact CG1-CB 4.35Å; I59-N70 HydrophobicContact CG2-CB 4.13Å; I59-L73 HydrophobicContact CD1-CB 4Å; I59-F74 HydrophobicContact CB-CD2 4.14Å; I59-F74 HydrophobicContact CD1-CB 4.12Å; I59-F74 HydrophobicContact CG2-CB 4.29Å; I59-F74 HydrophobicContact CG2-CD2 4.12Å
60A94.7Very high92.4Very high56 Ų5648.5 Ų48.546%0.46326%0.255SS..Hα-helixtrans-64.9-46.7-179.600000112.5C56 I57 H66 F74C56-A60 VanDerWaalsContact O-CB 3.27Å; C56-A60 WeakPolarHBondContact O-CB 3.27Å; C56-A60 PolarHBondContact O-N 3.15Å; I57-A60 PolarHBondContact O-N 3.28Å; A60-H66 PolarHBondContact O-NE2 2.91Å; A60-H66 VanDerWaalsContact O-NE2 3.09Å; A60-F74 HydrophobicContact CB-CE2 4.49Å
61R93.9Very high92.2Very high184 Ų18443.4 Ų43.469%0.69423%0.229SC*.Hα-helixtrans-75.8-27.9-173.7-73.3-172.4170.6-171.9-1.4114.8I57I57-R61 HydrophobicContact CG2-CG 4.24Å; I57-R61 WeakPolarHBondContact O-CB 3.5Å; I57-R61 WeakPolarHBondContact O-CG 3.07Å; I57-R61 PolarHBondContact O-N 2.82Å
62N90.2Very high92.1Very high20 Ų2042.9 Ų42.911%0.10722%0.222CC..  trans-100106.9-175.1-66.2-85.1000110.2V58 F64 M65 S447 T448V58-N62 WeakPolarHBondContact O-CB 3.12Å; V58-N62 PolarHBondContact O-N 3.21Å; V58-N62 PolarHBondContact O-ND2 2.7Å; N62-F64 HydrophobicContact CB-CD1 3.94Å; N62-F64 HydrophobicContact CB-CE1 3.56Å; N62-F64 HydrophobicContact CB-CZ 3.94Å; N62-F64 PolarHBondContact O-N 3.27Å; N62-F64 WeakPolarHBondContact OD1-CE1 3.33Å; N62-M65 HydrophobicContact CB-CB 4.09Å; N62-M65 HydrophobicContact CB-CG 3.66Å; N62-M65 WeakPolarHBondContact O-CA 3.46Å; N62-M65 VanDerWaalsContact O-CB 3.24Å; N62-M65 WeakPolarHBondContact O-CB 3.25Å; N62-M65 PolarHBondContact O-N 3.39Å; N62-S447 PolarHBondContact OD1-OG 2.92Å; N62-T448 PolarHBondContact ND2-OG1 3.21Å
63S88.4Confident91.9Very high95 Ų9543.4 Ų43.466%0.66423%0.225SC*.G310 helixtrans-57.6-35.6179.960.70000113.2M65 H66S63-M65 PolarHBondContact O-N 3.01Å; S63-M65 VanDerWaalsContact O-N 3.12Å; S63-H66 WeakPolarHBondContact O-CB 3.34Å; S63-H66 PolarHBondContact O-N 2.88Å
64F87.6Confident91.8Very high94 Ų9443.6 Ų43.641%0.41222%0.223SC..G310 helixtrans-65.3-14.617472.4-93.1000112.6N62 R440 A444N62-F64 HydrophobicContact CB-CD1 3.94Å; N62-F64 HydrophobicContact CB-CE1 3.56Å; N62-F64 HydrophobicContact CB-CZ 3.94Å; N62-F64 PolarHBondContact O-N 3.27Å; N62-F64 WeakPolarHBondContact OD1-CE1 3.33Å; F64-R440 HydrophobicContact CE2-CG 4.48Å; F64-R440 PolarHBondContact O-NH2 3.41Å; F64-A444 HydrophobicContact CE2-CB 3.9Å; F64-A444 HydrophobicContact CZ-CB 3.58Å
65M88.7Confident91.8Very high1 Ų143.3 Ų43.31%0.00522%0.22CC..G310 helixtrans-86.9-5.9173.3-64.6-67.9-79.100112.6V58 I59 N62 S63 T67 N70 R440 F441 A444V58-M65 HydrophobicContact CG1-CE 4.47Å; I59-M65 HydrophobicContact CG1-CE 4.49Å; N62-M65 HydrophobicContact CB-CB 4.09Å; N62-M65 HydrophobicContact CB-CG 3.66Å; N62-M65 WeakPolarHBondContact O-CA 3.46Å; N62-M65 VanDerWaalsContact O-CB 3.24Å; N62-M65 WeakPolarHBondContact O-CB 3.25Å; N62-M65 PolarHBondContact O-N 3.39Å; S63-M65 PolarHBondContact O-N 3.01Å; S63-M65 VanDerWaalsContact O-N 3.12Å; M65-T67 VanDerWaalsContact C-N 3.26Å; M65-T67 PolarHBondContact O-N 3.45Å; M65-N70 WeakPolarHBondContact CA-ND2 3.34Å; M65-N70 WeakPolarHBondContact CE-ND2 3.36Å; M65-N70 WeakPolarHBondContact O-CB 3.43Å; M65-N70 PolarHBondContact O-ND2 2.94Å; M65-R440 HydrophobicContact SD-CG 3.9Å; M65-F441 HydrophobicContact CE-CB 4.47Å; M65-F441 HydrophobicContact CE-CD2 3.79Å; M65-A444 HydrophobicContact CE-CB 4.14Å; M65-A444 HydrophobicContact CG-CB 3.82Å; M65-A444 HydrophobicContact SD-CB 3.9Å
66H89.8Confident91.8Very high98 Ų9843.3 Ų43.345%0.45422%0.22SC..  trans-76.476.8179.3-60168.1000111.4I59 A60 S63I59-H66 PolarHBondContact O-CD2 3.2Å; I59-H66 PolarHBondContact O-NE2 3.33Å; A60-H66 PolarHBondContact O-NE2 2.91Å; A60-H66 VanDerWaalsContact O-NE2 3.09Å; S63-H66 WeakPolarHBondContact O-CB 3.34Å; S63-H66 PolarHBondContact O-N 2.88Å
67T87.5Confident91.8Very high42 Ų4242.5 Ų42.526%0.25821%0.214SC..SBendtrans-129.1153.5178.967.60000109.4M65 T69 N70 C71M65-T67 VanDerWaalsContact C-N 3.26Å; M65-T67 PolarHBondContact O-N 3.45Å; T67-T69 VanDerWaalsContact C-N 3.27Å; T67-T69 PolarHBondContact O-N 3.15Å; T67-N70 CarbonylContact O-C 3.36Å; T67-N70 WeakPolarHBondContact O-CA 3.45Å; T67-N70 PolarHBondContact O-N 3.42Å; T67-N70 PolarHBondContact OG1-ND2 3.46Å; T67-C71 PolarHBondContact O-N 2.9Å; T67-C71 PolarHBondContact O-SG 3.13Å
68R87Confident91.9Very high77 Ų7741.7 Ų41.729%0.29121%0.212SC..Hα-helixtrans-49.4-45.4179.4-65.7-173.1-74.3150-7.2114N70 C71 Y72 E133 A213 L214 C217R68-N70 VanDerWaalsContact C-N 3.26Å; R68-N70 PolarHBondContact O-N 3.27Å; R68-C71 WeakPolarHBondContact O-CB 3.32Å; R68-C71 PolarHBondContact O-N 3.43Å; R68-C71 VanDerWaalsContact O-N 3.14Å; R68-Y72 WeakPolarHBondContact O-CD2 3.48Å; R68-Y72 PolarHBondContact O-N 3.14Å; R68-Y72 VanDerWaalsContact O-N 3.16Å; R68-E133 IonicContact CZ-OE1 3.59Å; R68-E133 IonicContact CZ-OE2 3.15Å; R68-E133 IonicContact NE-OE2 3.38Å; R68-E133 IonicContact NH1-OE1 2.83Å; R68-E133 PolarHBondContact NH1-OE1 3.47Å; R68-E133 IonicContact NH1-OE2 3.54Å; R68-E133 PolarHBondContact NH1-OE2 3.1Å; R68-A213 VanDerWaalsContact CD-O 3.3Å; R68-A213 WeakPolarHBondContact CD-O 3.46Å; R68-L214 HydrophobicContact CG-CD1 4.38Å; R68-C217 HydrophobicContact CB-CB 4.19Å; R68-C217 HydrophobicContact CG-CB 3.72Å
69T86Confident92Very high27 Ų2741.7 Ų41.717%0.16621%0.212CC..Hα-helixtrans-52.9-47.4175.1-57.70000111.4T67 Y72 L73 F130 R134T67-T69 VanDerWaalsContact C-N 3.27Å; T67-T69 PolarHBondContact O-N 3.15Å; T69-Y72 WeakPolarHBondContact O-CB 3.5Å; T69-Y72 PolarHBondContact O-N 3.48Å; T69-L73 WeakPolarHBondContact O-CG 3.21Å; T69-L73 PolarHBondContact O-N 3.4Å; T69-L73 VanDerWaalsContact O-N 3.13Å; T69-F130 HydrophobicContact CG2-CE2 3.47Å; T69-F130 VanDerWaalsContact CG2-CE2 3.47Å; T69-F130 HydrophobicContact CG2-CZ 3.79Å; T69-R134 PolarHBondContact OG1-NH2 3.12Å
70N90.4Very high92.2Very high13 Ų1341.5 Ų41.57%0.0721%0.211CC..Hα-helixtrans-76.9-23.9-176.4-65.3-12.7000111.9I59 M65 T67 R68 Y72 L73 F74I59-N70 HydrophobicContact CD1-CB 4.36Å; I59-N70 HydrophobicContact CG1-CB 4.35Å; I59-N70 HydrophobicContact CG2-CB 4.13Å; M65-N70 WeakPolarHBondContact CA-ND2 3.34Å; M65-N70 WeakPolarHBondContact CE-ND2 3.36Å; M65-N70 WeakPolarHBondContact O-CB 3.43Å; M65-N70 PolarHBondContact O-ND2 2.94Å; T67-N70 CarbonylContact O-C 3.36Å; T67-N70 WeakPolarHBondContact O-CA 3.45Å; T67-N70 PolarHBondContact O-N 3.42Å; T67-N70 PolarHBondContact OG1-ND2 3.46Å; R68-N70 VanDerWaalsContact C-N 3.26Å; R68-N70 PolarHBondContact O-N 3.27Å; N70-Y72 VanDerWaalsContact C-N 3.33Å; N70-L73 PolarHBondContact O-N 2.97Å; N70-F74 WeakPolarHBondContact O-CB 3.37Å; N70-F74 PolarHBondContact O-N 3.43Å
71C93.3Very high92.4Very high15 Ų1539.6 Ų39.610%0.10119%0.193CC..Hα-helixtrans-62.3-41.4167.9-63.20000111.3T67 R68 F74 T75 L214 I221T67-C71 PolarHBondContact O-N 2.9Å; T67-C71 PolarHBondContact O-SG 3.13Å; R68-C71 WeakPolarHBondContact O-CB 3.32Å; R68-C71 PolarHBondContact O-N 3.43Å; R68-C71 VanDerWaalsContact O-N 3.14Å; C71-F74 PolarHBondContact O-N 3.5Å; C71-T75 WeakPolarHBondContact O-CG2 3.5Å; C71-T75 PolarHBondContact O-N 3.03Å; C71-L214 VanDerWaalsContact SG-CD1 3.54Å; C71-I221 HydrophobicContact CB-CD1 3.8Å
72Y92.8Very high92.5Very high7 Ų733.6 Ų33.63%0.02717%0.174CC..Hα-helixtrans-63.3-42.2172.6-60.8-41.2000112.4R68 T69 N70 F74 T75 L76 I126 I129 F130 E133 C217 L220 I221R68-Y72 WeakPolarHBondContact O-CD2 3.48Å; R68-Y72 PolarHBondContact O-N 3.14Å; R68-Y72 VanDerWaalsContact O-N 3.16Å; T69-Y72 WeakPolarHBondContact O-CB 3.5Å; T69-Y72 PolarHBondContact O-N 3.48Å; N70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-F74 VanDerWaalsContact C-N 3.33Å; Y72-F74 PolarHBondContact O-N 3.47Å; Y72-T75 WeakPolarHBondContact O-CG2 3.44Å; Y72-T75 PolarHBondContact O-N 3.36Å; Y72-L76 WeakPolarHBondContact O-CB 3.41Å; Y72-L76 PolarHBondContact O-N 3.29Å; Y72-I126 HydrophobicContact CD1-CD1 4.21Å; Y72-I126 HydrophobicContact CD1-CG2 4.46Å; Y72-I126 HydrophobicContact CG-CG2 4.42Å; Y72-I126 WeakPolarHBondContact O-CG2 2.99Å; Y72-I129 HydrophobicContact CD1-CG2 4.42Å; Y72-I129 HydrophobicContact CE1-CG2 3.71Å; Y72-I129 HydrophobicContact CE2-CG2 4.06Å; Y72-F130 HydrophobicContact CD2-CB 4.3Å; Y72-F130 AromaticContact CD2-CD2 3.99Å; Y72-F130 HydrophobicContact CD2-CD2 3.99Å; Y72-E133 WeakPolarHBondContact CE2-OE2 3.42Å; Y72-E133 PolarHBondContact OH-OE2 3.09Å; Y72-C217 VanDerWaalsContact CE1-SG 3.52Å; Y72-C217 VanDerWaalsContact CZ-SG 3.58Å; Y72-L220 HydrophobicContact CE1-CD2 4.5Å; Y72-I221 HydrophobicContact CD1-CD1 4Å; Y72-I221 HydrophobicContact CD1-CG1 3.9Å; Y72-I221 HydrophobicContact CE1-CD1 4.26Å; Y72-I221 HydrophobicContact CE1-CG1 3.95Å
73L92.2Very high92.8Very high10 Ų1032.7 Ų32.75%0.05217%0.169CC..Hα-helixtrans-64-39175.4-61.8-173.4000112.3I59 T69 N70 L76 S77 Y434I59-L73 HydrophobicContact CD1-CB 4Å; T69-L73 WeakPolarHBondContact O-CG 3.21Å; T69-L73 PolarHBondContact O-N 3.4Å; T69-L73 VanDerWaalsContact O-N 3.13Å; N70-L73 PolarHBondContact O-N 2.97Å; L73-L76 PolarHBondContact O-N 3.03Å; L73-S77 PolarHBondContact O-N 3.01Å; L73-S77 PolarHBondContact O-OG 3.44Å; L73-Y434 HydrophobicContact CD1-CD1 4.27Å; L73-Y434 HydrophobicContact CD1-CE1 4.34Å; L73-Y434 HydrophobicContact CD1-CG 4.47Å; L73-Y434 HydrophobicContact CD2-CD1 4.28Å; L73-Y434 HydrophobicContact CD2-CE1 3.53Å; L73-Y434 HydrophobicContact CD2-CE2 3.85Å; L73-Y434 WeakPolarHBondContact CD2-OH 3.35Å
74F94.9Very high93.2Very high78 Ų7828.1 Ų28.134%0.34214%0.138SC..Hα-helixtrans-62.9-49.2176.8-174-83.6000111.1C56 I59 A60 N70 C71 Y72 L76 S77 V78C56-F74 HydrophobicContact CB-CD2 4.16Å; C56-F74 HydrophobicContact CB-CE2 3.71Å; C56-F74 HydrophobicContact CB-CZ 4.31Å; I59-F74 HydrophobicContact CB-CD2 4.14Å; I59-F74 HydrophobicContact CD1-CB 4.12Å; I59-F74 HydrophobicContact CG2-CB 4.29Å; I59-F74 HydrophobicContact CG2-CD2 4.12Å; A60-F74 HydrophobicContact CB-CE2 4.49Å; N70-F74 WeakPolarHBondContact O-CB 3.37Å; N70-F74 PolarHBondContact O-N 3.43Å; C71-F74 PolarHBondContact O-N 3.5Å; Y72-F74 VanDerWaalsContact C-N 3.33Å; Y72-F74 PolarHBondContact O-N 3.47Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 3.11Å; F74-S77 PolarHBondContact O-N 2.98Å; F74-V78 HydrophobicContact CD1-CG2 3.94Å; F74-V78 HydrophobicContact CE1-CG2 3.65Å; F74-V78 HydrophobicContact CZ-CG2 4.35Å; F74-V78 WeakPolarHBondContact O-CG2 3.39Å; F74-V78 PolarHBondContact O-N 3.48Å
75T96.5Very high93.6Very high6 Ų627.6 Ų27.64%0.03714%0.138CC..Hα-helixtrans-66.4-31.3178.5-174.30000112.8C71 Y72 V78 S79 I126 I221 W225C71-T75 WeakPolarHBondContact O-CG2 3.5Å; C71-T75 PolarHBondContact O-N 3.03Å; Y72-T75 WeakPolarHBondContact O-CG2 3.44Å; Y72-T75 PolarHBondContact O-N 3.36Å; T75-V78 PolarHBondContact O-N 2.85Å; T75-S79 PolarHBondContact O-N 3.48Å; T75-S79 PolarHBondContact O-OG 2.9Å; T75-I126 HydrophobicContact CG2-CB 4.48Å; T75-I126 HydrophobicContact CG2-CD1 3.51Å; T75-I126 HydrophobicContact CG2-CG1 3.67Å; T75-I126 HydrophobicContact CG2-CG2 3.99Å; T75-I221 HydrophobicContact CG2-CD1 4.17Å; T75-I221 HydrophobicContact CG2-CG1 4.2Å; T75-I221 HydrophobicContact CG2-CG2 4.19Å; T75-W225 PolarHBondContact OG1-NE1 2.99Å
76L94.7Very high93.9Very high1 Ų130.5 Ų30.51%0.00515%0.153CC..Hα-helixtrans-64.8-44.9173.1-174.170000110.9Y72 L73 F74 V78 S79 D80 S123 I126 L127 N430 Y434Y72-L76 WeakPolarHBondContact O-CB 3.41Å; Y72-L76 PolarHBondContact O-N 3.29Å; L73-L76 PolarHBondContact O-N 3.03Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 3.11Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.34Å; L76-S79 PolarHBondContact O-N 3.25Å; L76-S79 PolarHBondContact O-OG 3.48Å; L76-D80 WeakPolarHBondContact O-CB 3.42Å; L76-D80 VanDerWaalsContact O-CG 3.23Å; L76-D80 PolarHBondContact O-N 3.05Å; L76-S123 WeakPolarHBondContact CD1-OG 3.45Å; L76-I126 HydrophobicContact CB-CG2 4.48Å; L76-L127 HydrophobicContact CD2-CD2 4.24Å; L76-N430 HydrophobicContact CD2-CB 4.43Å; L76-Y434 WeakPolarHBondContact CD2-OH 3.35Å
77S96.4Very high94Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-64.6-32.8174-71.50000112.9N52 T55 C56 L73 F74 L81N52-S77 WeakPolarHBondContact OD1-CA 3.11Å; N52-S77 WeakPolarHBondContact OD1-CB 3.5Å; N52-S77 PolarHBondContact OD1-OG 3.42Å; T55-S77 WeakPolarHBondContact CB-OG 3.38Å; T55-S77 VanDerWaalsContact CG2-OG 3.23Å; T55-S77 WeakPolarHBondContact CG2-OG 3.22Å; C56-S77 VanDerWaalsContact SG-CB 3.58Å; L73-S77 PolarHBondContact O-N 3.01Å; L73-S77 PolarHBondContact O-OG 3.44Å; F74-S77 PolarHBondContact O-N 2.98Å; S77-L81 WeakPolarHBondContact O-CB 3.46Å; S77-L81 WeakPolarHBondContact O-CD1 3.37Å; S77-L81 WeakPolarHBondContact O-CG 3.45Å; S77-L81 PolarHBondContact O-N 3.38Å
78V97.4Very high94.3Very high44 Ų4424 Ų2427%0.26712%0.121SC..Hα-helixtrans-66.9-45.2174.9171.20000111.6F74 T75 L76 D80 L81 L82 W225F74-V78 HydrophobicContact CD1-CG2 3.94Å; F74-V78 HydrophobicContact CE1-CG2 3.65Å; F74-V78 HydrophobicContact CZ-CG2 4.35Å; F74-V78 WeakPolarHBondContact O-CG2 3.39Å; F74-V78 PolarHBondContact O-N 3.48Å; T75-V78 PolarHBondContact O-N 2.85Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.34Å; V78-D80 VanDerWaalsContact C-N 3.33Å; V78-D80 PolarHBondContact O-N 2.97Å; V78-L81 PolarHBondContact O-N 2.83Å; V78-L82 HydrophobicContact CG1-CD1 4.32Å; V78-L82 WeakPolarHBondContact O-CG 3.2Å; V78-L82 PolarHBondContact O-N 3.17Å; V78-W225 HydrophobicContact CG1-CH2 4.28Å; V78-W225 HydrophobicContact CG1-CZ2 4.07Å
79S97.2Very high94.6Very high0 Ų023.1 Ų23.10%013%0.125CC..Hα-helixtrans-62.9-41.3176.451.60000111.8T75 L76 L82 L83 C119 S123T75-S79 PolarHBondContact O-N 3.48Å; T75-S79 PolarHBondContact O-OG 2.9Å; L76-S79 PolarHBondContact O-N 3.25Å; L76-S79 PolarHBondContact O-OG 3.48Å; S79-L82 PolarHBondContact O-N 3.27Å; S79-L83 PolarHBondContact O-N 3.03Å; S79-C119 WeakPolarHBondContact O-CB 3.49Å; S79-C119 PolarHBondContact O-SG 3.39Å; S79-C119 VanDerWaalsContact O-SG 3.39Å; S79-S123 PolarHBondContact OG-OG 3.34Å
80D96.7Very high94.7Very high3 Ų323.4 Ų23.42%0.01612%0.124CC..Hα-helixtrans-65.3-40.1176.7-68.2-13.1000112.2L76 V78 L83 L84 S123 A427 N430L76-D80 WeakPolarHBondContact O-CB 3.42Å; L76-D80 VanDerWaalsContact O-CG 3.23Å; L76-D80 PolarHBondContact O-N 3.05Å; V78-D80 VanDerWaalsContact C-N 3.33Å; V78-D80 PolarHBondContact O-N 2.97Å; D80-L83 PolarHBondContact O-N 3.32Å; D80-L84 WeakPolarHBondContact O-CB 3.49Å; D80-L84 VanDerWaalsContact O-CG 3.29Å; D80-L84 WeakPolarHBondContact O-CG 3.19Å; D80-L84 PolarHBondContact O-N 2.91Å; D80-S123 PolarHBondContact OD1-OG 3.19Å; D80-A427 HydrophobicContact CB-CB 3.86Å; D80-N430 PolarHBondContact OD2-ND2 2.97Å
81L97.9Very high94.6Very high17 Ų1723.9 Ų23.99%0.08913%0.126CC..Hα-helixtrans-63.1-44.2174.3-75.6167.5000111.9L49 N52 L53 S77 V78 L83 L84 I85L49-L81 HydrophobicContact CD1-CD2 3.75Å; N52-L81 HydrophobicContact CB-CD1 4.18Å; N52-L81 HydrophobicContact CB-CD2 3.79Å; N52-L81 HydrophobicContact CB-CG 3.65Å; L53-L81 HydrophobicContact CD2-CD1 3.89Å; L53-L81 HydrophobicContact CD2-CD2 4.04Å; L53-L81 HydrophobicContact CG-CD1 4.36Å; L53-L81 HydrophobicContact CG-CD2 3.78Å; S77-L81 WeakPolarHBondContact O-CB 3.46Å; S77-L81 WeakPolarHBondContact O-CD1 3.37Å; S77-L81 WeakPolarHBondContact O-CG 3.45Å; S77-L81 PolarHBondContact O-N 3.38Å; V78-L81 PolarHBondContact O-N 2.83Å; L81-L83 VanDerWaalsContact C-N 3.31Å; L81-L83 PolarHBondContact O-N 3.36Å; L81-L84 PolarHBondContact O-N 3.36Å; L81-I85 HydrophobicContact CB-CD1 4.42Å; L81-I85 VanDerWaalsContact O-CB 3.32Å; L81-I85 WeakPolarHBondContact O-CB 3.49Å; L81-I85 VanDerWaalsContact O-CG1 3.23Å; L81-I85 WeakPolarHBondContact O-CG1 3.45Å; L81-I85 PolarHBondContact O-N 3.31Å
82L97.3Very high94.4Very high57 Ų5725 Ų2530%0.29813%0.131SC..Hα-helixtrans-61.3-42.8176-72.4176.5000110.9V78 S79 L84 L86 L115 W225V78-L82 HydrophobicContact CG1-CD1 4.32Å; V78-L82 WeakPolarHBondContact O-CG 3.2Å; V78-L82 PolarHBondContact O-N 3.17Å; S79-L82 PolarHBondContact O-N 3.27Å; L82-L84 PolarHBondContact O-N 2.87Å; L82-L86 HydrophobicContact CD2-CD1 4.06Å; L82-L86 WeakPolarHBondContact O-CB 3.21Å; L82-L86 PolarHBondContact O-N 3Å; L82-L115 HydrophobicContact CB-CD1 4.24Å; L82-W225 HydrophobicContact CD1-CH2 3.78Å; L82-W225 HydrophobicContact CD1-CZ3 4.07Å
83L96.2Very high94.1Very high1 Ų129 Ų291%0.00515%0.15CC..Iπ-helixtrans-61.5-43.5176.3-176.362.8000112.4S79 D80 L81 G87 L88 C119 Y423 Y424S79-L83 PolarHBondContact O-N 3.03Å; D80-L83 PolarHBondContact O-N 3.32Å; L81-L83 VanDerWaalsContact C-N 3.31Å; L81-L83 PolarHBondContact O-N 3.36Å; L83-G87 CarbonylContact O-C 3.28Å; L83-G87 WeakPolarHBondContact O-CA 3.39Å; L83-G87 PolarHBondContact O-N 2.83Å; L83-L88 PolarHBondContact O-N 3.36Å; L83-C119 HydrophobicContact CB-CB 3.89Å; L83-C119 HydrophobicContact CD1-CB 4.41Å; L83-Y423 HydrophobicContact CD1-CE1 3.92Å; L83-Y423 HydrophobicContact CD2-CE1 3.99Å; L83-Y423 HydrophobicContact CG-CE1 4.41Å; L83-Y424 HydrophobicContact CD1-CE1 4.21Å; L83-Y424 HydrophobicContact CD2-CD1 4.48Å; L83-Y424 HydrophobicContact CG-CD1 4.3Å; L83-Y424 HydrophobicContact CG-CE1 4.21Å
84L97Very high93.7Very high0 Ų029.9 Ų29.90%016%0.155CC..Iπ-helixtrans-72.8-40.6-179.2-70.1173.4000112.8I44 F45 D80 L81 L82 L88 P89 A427I44-L84 HydrophobicContact CG2-CD2 4.13Å; F45-L84 HydrophobicContact CD2-CB 4.4Å; F45-L84 WeakPolarHBondContact CD2-O 3.17Å; F45-L84 VanDerWaalsContact CE2-O 3.27Å; F45-L84 WeakPolarHBondContact CE2-O 2.93Å; D80-L84 WeakPolarHBondContact O-CB 3.49Å; D80-L84 VanDerWaalsContact O-CG 3.29Å; D80-L84 WeakPolarHBondContact O-CG 3.19Å; D80-L84 PolarHBondContact O-N 2.91Å; L81-L84 PolarHBondContact O-N 3.36Å; L82-L84 PolarHBondContact O-N 2.87Å; L84-L88 HydrophobicContact CD2-CD2 3.99Å; L84-P89 VanDerWaalsContact O-CD 3.32Å; L84-P89 WeakPolarHBondContact O-CD 3.16Å; L84-A427 HydrophobicContact CD1-CB 3.85Å; L84-A427 HydrophobicContact CD2-CB 4.04Å; L84-A427 HydrophobicContact CG-CB 3.88Å
85I96.6Very high93.3Very high82 Ų8226.6 Ų26.642%0.42114%0.141SC..Iπ-helixtrans-77.4-38.4-176.1-66.7167.8000111.4L49 L81 P89L49-I85 HydrophobicContact CD1-CD1 3.94Å; L49-I85 HydrophobicContact CD1-CG1 3.88Å; L81-I85 HydrophobicContact CB-CD1 4.42Å; L81-I85 VanDerWaalsContact O-CB 3.32Å; L81-I85 WeakPolarHBondContact O-CB 3.49Å; L81-I85 VanDerWaalsContact O-CG1 3.23Å; L81-I85 WeakPolarHBondContact O-CG1 3.45Å; L81-I85 PolarHBondContact O-N 3.31Å; I85-P89 WeakPolarHBondContact O-CG 3.38Å
86L94.5Very high92.8Very high62 Ų6229.8 Ų29.833%0.32516%0.158SC..Iπ-helixtrans-112.2-18.9-171.2-59.5173.6000113L82 F90 F111 L115L82-L86 HydrophobicContact CD2-CD1 4.06Å; L82-L86 WeakPolarHBondContact O-CB 3.21Å; L82-L86 PolarHBondContact O-N 3Å; L86-F90 WeakPolarHBondContact O-CD2 3.22Å; L86-F90 WeakPolarHBondContact O-CE2 3.14Å; L86-F111 HydrophobicContact CD1-CZ 4.29Å; L86-L115 HydrophobicContact CB-CD1 4.44Å; L86-L115 HydrophobicContact CB-CD2 3.26Å; L86-L115 HydrophobicContact CB-CG 4.45Å; L86-L115 HydrophobicContact CD1-CD1 4.32Å
87G92.7Very high92.5Very high0 Ų033.4 Ų33.40%018%0.177CC..Iπ-helixtrans-97.3-54.3-179.400000112.9L83 F90 E91L83-G87 CarbonylContact O-C 3.28Å; L83-G87 WeakPolarHBondContact O-CA 3.39Å; L83-G87 PolarHBondContact O-N 2.83Å; G87-F90 PolarHBondContact O-N 2.76Å; G87-E91 PolarHBondContact O-N 2.98Å
88L93.7Very high92.3Very high4 Ų437.6 Ų37.62%0.02120%0.196CC..Hα-helixtrans-60.5-36-175.3-17559.8000114.4Y41 I44 F45 L83 L84 F90 E91 L92 Y424Y41-L88 HydrophobicContact CD1-CD1 4.39Å; Y41-L88 HydrophobicContact CD2-CD1 3.79Å; Y41-L88 HydrophobicContact CE2-CD1 4.25Å; Y41-L88 HydrophobicContact CG-CD1 3.87Å; I44-L88 HydrophobicContact CG2-CD2 4.46Å; F45-L88 HydrophobicContact CB-CD2 3.8Å; F45-L88 HydrophobicContact CD2-CD2 4.22Å; L83-L88 PolarHBondContact O-N 3.36Å; L84-L88 HydrophobicContact CD2-CD2 3.99Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-F90 PolarHBondContact O-N 3Å; L88-E91 WeakPolarHBondContact O-CB 3.4Å; L88-E91 PolarHBondContact O-N 2.93Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 PolarHBondContact O-N 2.94Å; L88-Y424 HydrophobicContact CB-CD1 3.97Å; L88-Y424 HydrophobicContact CB-CE1 3.74Å; L88-Y424 HydrophobicContact CD1-CD1 3.8Å; L88-Y424 HydrophobicContact CD1-CD2 3.66Å; L88-Y424 HydrophobicContact CD1-CE1 3.89Å; L88-Y424 HydrophobicContact CD1-CE2 3.79Å; L88-Y424 HydrophobicContact CD1-CG 3.68Å; L88-Y424 HydrophobicContact CG-CD1 4.33Å; L88-Y424 HydrophobicContact CG-CE1 4.39Å
89P91.5Very high91.9Very high58 Ų5838.4 Ų38.438%0.37720%0.203SC..Hα-helixtrans-64.1-35.1178.5-27.738.7000114L84 I85 E91 L92 Q93L84-P89 VanDerWaalsContact O-CD 3.32Å; L84-P89 WeakPolarHBondContact O-CD 3.16Å; I85-P89 WeakPolarHBondContact O-CG 3.38Å; P89-E91 VanDerWaalsContact C-N 3.33Å; P89-L92 PolarHBondContact O-N 3.36Å; P89-Q93 PolarHBondContact O-N 2.69Å
90F88.8Confident91.7Very high33 Ų3338.8 Ų38.815%0.14520%0.204CC..Hα-helixtrans-64.7-40.7174.4-70.3-66.6000111.2L86 G87 L88 Q93 T94 W102 L104 F108 R112L86-F90 WeakPolarHBondContact O-CD2 3.22Å; L86-F90 WeakPolarHBondContact O-CE2 3.14Å; G87-F90 PolarHBondContact O-N 2.76Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-F90 PolarHBondContact O-N 3Å; F90-Q93 PolarHBondContact O-N 3.3Å; F90-T94 PolarHBondContact O-N 2.94Å; F90-T94 PolarHBondContact O-OG1 2.7Å; F90-W102 HydrophobicContact CD1-CH2 4.26Å; F90-L104 HydrophobicContact CD1-CD1 3.9Å; F90-L104 HydrophobicContact CE1-CD1 3.6Å; F90-F108 HydrophobicContact CZ-CD1 4.34Å; F90-R112 HydrophobicContact CB-CG 4.3Å; F90-R112 HydrophobicContact CD2-CB 4.42Å; F90-R112 HydrophobicContact CD2-CG 4.3Å; F90-R112 HydrophobicContact CG-CG 4.4Å
91E88.3Confident91.6Very high23 Ų2340.2 Ų40.211%0.10721%0.214CC..Hα-helixtrans-66.8-39.2176-166.765.9-161.600111.8Y41 G87 L88 P89 Q93 T94 V95 R112 Y424Y41-E91 HydrophobicContact CE2-CG 3.85Å; G87-E91 PolarHBondContact O-N 2.98Å; L88-E91 WeakPolarHBondContact O-CB 3.4Å; L88-E91 PolarHBondContact O-N 2.93Å; P89-E91 VanDerWaalsContact C-N 3.33Å; E91-Q93 VanDerWaalsContact C-N 3.3Å; E91-Q93 PolarHBondContact O-N 3.44Å; E91-T94 WeakPolarHBondContact CA-OG1 3.31Å; E91-T94 PolarHBondContact O-N 3.22Å; E91-T94 PolarHBondContact O-OG1 3.09Å; E91-V95 WeakPolarHBondContact O-CB 3.36Å; E91-V95 VanDerWaalsContact O-CG2 3.29Å; E91-V95 WeakPolarHBondContact O-CG2 3.26Å; E91-V95 PolarHBondContact O-N 3.47Å; E91-R112 IonicContact OE2-CZ 3.61Å; E91-R112 IonicContact OE2-NH2 3.48Å; E91-R112 PolarHBondContact OE2-NH2 3.47Å; E91-Y424 HydrophobicContact CB-CE2 4.14Å; E91-Y424 WeakPolarHBondContact CB-OH 3.44Å; E91-Y424 HydrophobicContact CG-CE2 3.96Å
92L88.5Confident91.4Very high40 Ų4040.9 Ų40.921%0.20922%0.215CC..Hα-helixtrans-65.5-36.6177.6-166.967.3000111.2Y41 L88 P89 V95 L96Y41-L92 HydrophobicContact CD2-CD1 4.05Å; Y41-L92 HydrophobicContact CG-CD1 4.49Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 PolarHBondContact O-N 2.94Å; P89-L92 PolarHBondContact O-N 3.36Å; L92-V95 PolarHBondContact O-N 3.34Å; L92-L96 HydrophobicContact CD1-CD1 3.71Å; L92-L96 HydrophobicContact CD1-CD2 4.44Å; L92-L96 HydrophobicContact CD1-CG 3.8Å; L92-L96 HydrophobicContact CD2-CD1 3.98Å; L92-L96 HydrophobicContact CG-CD1 3.54Å; L92-L96 HydrophobicContact CG-CG 3.92Å; L92-L96 VanDerWaalsContact O-CB 3.25Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 WeakPolarHBondContact O-CG 3.22Å; L92-L96 PolarHBondContact O-N 2.98Å
93Q86.8Confident91.2Very high91 Ų9143.3 Ų43.343%0.42523%0.233SC..Hα-helixtrans-63.3-43175.2-178.3178.8-1.600112.2P89 F90 E91 V95 N97P89-Q93 PolarHBondContact O-N 2.69Å; F90-Q93 PolarHBondContact O-N 3.3Å; E91-Q93 VanDerWaalsContact C-N 3.3Å; E91-Q93 PolarHBondContact O-N 3.44Å; Q93-V95 VanDerWaalsContact C-N 3.31Å; Q93-N97 WeakPolarHBondContact O-CB 3.48Å; Q93-N97 PolarHBondContact O-N 3.27Å; Q93-N97 VanDerWaalsContact O-N 3.09Å
94T85.2Confident91Very high27 Ų2746.2 Ų46.217%0.16625%0.248CC..Hα-helixtrans-67.5-34.617850.10000111.7F90 E91F90-T94 PolarHBondContact O-N 2.94Å; F90-T94 PolarHBondContact O-OG1 2.7Å; E91-T94 WeakPolarHBondContact CA-OG1 3.31Å; E91-T94 PolarHBondContact O-N 3.22Å; E91-T94 PolarHBondContact O-OG1 3.09Å
95V85Confident90.9Very high9 Ų947.8 Ų47.86%0.05526%0.264CS..Hα-helixtrans-76.3-45.2178.21690000112.8M29 I37 Y41 E91 L92 Q93M29-V95 HydrophobicContact CE-CB 4.03Å; M29-V95 HydrophobicContact CE-CG1 3.73Å; M29-V95 HydrophobicContact CE-CG2 4.18Å; M29-V95 WeakPolarHBondContact CE-O 3.46Å; M29-V95 HydrophobicContact SD-CG1 3.88Å; I37-V95 HydrophobicContact CB-CG1 3.84Å; I37-V95 HydrophobicContact CD1-CG1 4.28Å; I37-V95 HydrophobicContact CG2-CG1 3.6Å; I37-V95 HydrophobicContact CG2-CG2 4.38Å; Y41-V95 HydrophobicContact CE2-CG2 4.35Å; E91-V95 WeakPolarHBondContact O-CB 3.36Å; E91-V95 VanDerWaalsContact O-CG2 3.29Å; E91-V95 WeakPolarHBondContact O-CG2 3.26Å; E91-V95 PolarHBondContact O-N 3.47Å; L92-V95 PolarHBondContact O-N 3.34Å; Q93-V95 VanDerWaalsContact C-N 3.31Å
96L87.4Confident90.8Very high74 Ų7446.2 Ų46.239%0.38726%0.259SS..Hα-helixtrans-86.5-17.1-172.1-66.9-173.6000114.4Q34 L92Q34-L96 HydrophobicContact CB-CD2 4.43Å; Q34-L96 WeakPolarHBondContact O-CD2 3.42Å; Q34-L96 PolarHBondContact OE1-O 3.42Å; L92-L96 HydrophobicContact CD1-CD1 3.71Å; L92-L96 HydrophobicContact CD1-CD2 4.44Å; L92-L96 HydrophobicContact CD1-CG 3.8Å; L92-L96 HydrophobicContact CD2-CD1 3.98Å; L92-L96 HydrophobicContact CG-CD1 3.54Å; L92-L96 HydrophobicContact CG-CG 3.92Å; L92-L96 VanDerWaalsContact O-CB 3.25Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 WeakPolarHBondContact O-CG 3.22Å; L92-L96 PolarHBondContact O-N 2.98Å
97N88.3Confident90.9Very high77 Ų7749 Ų4941%0.41228%0.277SS..THydrogen-bonded Turntrans-119.2-90.5-177.5-171.516.3000112.8R28 Q93R28-N97 WeakPolarHBondContact CD-O 3.49Å; R28-N97 VanDerWaalsContact CG-O 3.23Å; R28-N97 WeakPolarHBondContact CG-O 3.41Å; R28-N97 PolarHBondContact NE-O 3.16Å; R28-N97 PolarHBondContact NH2-OD1 3.1Å; R28-N97 VanDerWaalsContact NH2-OD1 3.09Å; Q93-N97 WeakPolarHBondContact O-CB 3.48Å; Q93-N97 PolarHBondContact O-N 3.27Å; Q93-N97 VanDerWaalsContact O-N 3.09Å
98K90.5Very high90.9Very high88 Ų8854 Ų5438%0.38330%0.299SS..  trans-135.6132.9-178.2-68-177.5171.5-162.10108Q27 R28 Y100Q27-K98 HydrophobicContact CG-CB 3.96Å; Q27-K98 HydrophobicContact CG-CD 4.25Å; Q27-K98 HydrophobicContact CG-CG 3.99Å; R28-K98 HydrophobicContact CG-CG 4.41Å; K98-Y100 VanDerWaalsContact C-N 3.3Å
99S90.6Very high91Very high60 Ų6053.8 Ų53.842%0.4230%0.298SS..SBendtrans-69.3-31.4176.9-58.30000112.2Q27Q27-S99 PolarHBondContact O-N 3.43Å
100Y93Very high91.3Very high8 Ų854.8 Ų54.83%0.03130%0.295CS..SBendtrans-149.6158.2178.556-98.1000109.6I20 L24 G25 Q27 K98 D290I20-Y100 HydrophobicContact CG2-CD2 3.93Å; I20-Y100 HydrophobicContact CG2-CE2 3.32Å; L24-Y100 HydrophobicContact CB-CD1 4.2Å; L24-Y100 HydrophobicContact CB-CE1 3.78Å; L24-Y100 HydrophobicContact CD1-CD1 3.96Å; L24-Y100 HydrophobicContact CD1-CD2 4.43Å; L24-Y100 HydrophobicContact CD1-CE1 4.2Å; L24-Y100 HydrophobicContact CD1-CG 4.09Å; G25-Y100 PolarHBondContact O-OH 3.2Å; Q27-Y100 WeakPolarHBondContact CA-OH 3.38Å; Q27-Y100 HydrophobicContact CB-CE1 4.21Å; Q27-Y100 HydrophobicContact CB-CE2 3.84Å; Q27-Y100 HydrophobicContact CG-CD2 4.16Å; Q27-Y100 HydrophobicContact CG-CE2 3.87Å; Q27-Y100 WeakPolarHBondContact CG-O 3.46Å; Q27-Y100 PolarHBondContact N-OH 2.98Å; Q27-Y100 PolarHBondContact NE2-O 3.29Å; K98-Y100 VanDerWaalsContact C-N 3.3Å; Y100-D290 WeakPolarHBondContact CD2-O 3.33Å
101P94.6Very high91.6Very high34 Ų3457.3 Ų57.322%0.22131%0.306CS..  cis-73.8153.2-5.728-33.2000113.1T103 D290 A292P101-T103 HydrophobicContact CG-CG2 4.3Å; P101-T103 PolarHBondContact O-N 3.26Å; P101-D290 WeakPolarHBondContact CB-O 3.4Å; P101-A292 CarbonylContact C-O 3.56Å; P101-A292 VanDerWaalsContact CA-O 3.28Å; P101-A292 WeakPolarHBondContact CA-O 3.48Å; P101-A292 HydrophobicContact CB-CB 3.86Å
102W93.1Very high91.9Very high30 Ų3058 Ų5811%0.11431%0.307CS..  trans-72.9112.1167.1178.6-87.9000110.3F90 L104 G105 F108 C109 V241 A292 C294F90-W102 HydrophobicContact CD1-CH2 4.26Å; W102-L104 HydrophobicContact CH2-CD1 4.16Å; W102-L104 HydrophobicContact CZ2-CB 3.86Å; W102-L104 HydrophobicContact CZ2-CD1 4.1Å; W102-L104 HydrophobicContact CZ2-CG 4.46Å; W102-G105 PolarHBondContact NE1-O 3.01Å; W102-F108 HydrophobicContact CZ2-CB 4.27Å; W102-C109 HydrophobicContact CZ2-CB 4.26Å; W102-V241 VanDerWaalsContact CD1-CG2 3.42Å; W102-V241 HydrophobicContact CG-CG2 4.34Å; W102-A292 PolarHBondContact N-O 3.35Å; W102-C294 HydrophobicContact CB-CB 4.4Å; W102-C294 HydrophobicContact CD2-CB 3.59Å; W102-C294 HydrophobicContact CE3-CB 3.88Å; W102-C294 HydrophobicContact CG-CB 3.83Å; W102-C294 HydrophobicContact CZ2-CB 4.48Å; W102-C294 HydrophobicContact CZ3-CB 4.44Å
103T92.5Very high92.3Very high108 Ų10857.1 Ų57.166%0.66330%0.303SS*.  trans-102.3-5.6-172.755.10000115P101 G105P101-T103 HydrophobicContact CG-CG2 4.3Å; P101-T103 PolarHBondContact O-N 3.26Å; T103-G105 VanDerWaalsContact C-N 3.3Å; T103-G105 PolarHBondContact O-N 3.39Å
104L92.3Very high92.8Very high63 Ų6355 Ų5533%0.3329%0.292SS..SBendtrans-85.71-175.4-59.9177.2000113.9F90 W102 F108F90-L104 HydrophobicContact CD1-CD1 3.9Å; F90-L104 HydrophobicContact CE1-CD1 3.6Å; W102-L104 HydrophobicContact CH2-CD1 4.16Å; W102-L104 HydrophobicContact CZ2-CB 3.86Å; W102-L104 HydrophobicContact CZ2-CD1 4.1Å; W102-L104 HydrophobicContact CZ2-CG 4.46Å; L104-F108 HydrophobicContact CB-CB 3.8Å; L104-F108 HydrophobicContact CB-CD2 4.47Å; L104-F108 HydrophobicContact CB-CG 4.27Å; L104-F108 VanDerWaalsContact O-CD2 3.29Å; L104-F108 WeakPolarHBondContact O-CD2 3.38Å
105G94.1Very high93.3Very high33 Ų3354.1 Ų54.134%0.3429%0.286SS..Hα-helixtrans72.6175.9178.400000115W102 T103 V107 C109W102-G105 PolarHBondContact NE1-O 3.01Å; T103-G105 VanDerWaalsContact C-N 3.3Å; T103-G105 PolarHBondContact O-N 3.39Å; G105-V107 PolarHBondContact O-N 3.25Å; G105-C109 WeakPolarHBondContact O-CB 3.47Å; G105-C109 PolarHBondContact O-N 2.94Å; G105-C109 VanDerWaalsContact O-N 3.09Å
106T95.3Very high93.8Very high49 Ų4954.6 Ų54.630%0.30129%0.289SS..Hα-helixtrans-66.9-35.4-171.6-56.30000113.7C109 R110 N240T106-C109 WeakPolarHBondContact O-CB 3.14Å; T106-C109 PolarHBondContact O-N 3Å; T106-R110 HydrophobicContact CG2-CG 4.23Å; T106-R110 WeakPolarHBondContact O-CG 3.24Å; T106-R110 PolarHBondContact O-N 3.33Å; T106-N240 WeakPolarHBondContact CG2-OD1 3.5Å; T106-N240 PolarHBondContact OG1-OD1 2.72Å
107V95.8Very high94.1Very high119 Ų11952.4 Ų52.472%0.72128%0.277SS*.Hα-helixtrans-62.1-49.5-179.8176.80000110.9G105 C109 R110 F111G105-V107 PolarHBondContact O-N 3.25Å; V107-C109 VanDerWaalsContact C-N 3.33Å; V107-R110 PolarHBondContact O-N 3.04Å; V107-F111 WeakPolarHBondContact O-CB 3.34Å; V107-F111 PolarHBondContact O-N 3.29Å
108F94.5Very high94.6Very high105 Ų10549.3 Ų49.346%0.46126%0.26SS..Hα-helixtrans-69.5-32.5177.2-76.7-82.4000112.3F90 W102 L104 F111 R112F90-F108 HydrophobicContact CZ-CD1 4.34Å; W102-F108 HydrophobicContact CZ2-CB 4.27Å; L104-F108 HydrophobicContact CB-CB 3.8Å; L104-F108 HydrophobicContact CB-CD2 4.47Å; L104-F108 HydrophobicContact CB-CG 4.27Å; L104-F108 VanDerWaalsContact O-CD2 3.29Å; L104-F108 WeakPolarHBondContact O-CD2 3.38Å; F108-F111 PolarHBondContact O-N 2.93Å; F108-R112 WeakPolarHBondContact O-CB 3.24Å; F108-R112 PolarHBondContact O-N 3.29Å
109C95.6Very high94.8Very high0 Ų045.1 Ų45.10%024%0.242CC..Hα-helixtrans-57.4-54.8171.61750000111.1W102 G105 T106 V107 F111 R112 I113 V241 C294W102-C109 HydrophobicContact CZ2-CB 4.26Å; G105-C109 WeakPolarHBondContact O-CB 3.47Å; G105-C109 PolarHBondContact O-N 2.94Å; G105-C109 VanDerWaalsContact O-N 3.09Å; T106-C109 WeakPolarHBondContact O-CB 3.14Å; T106-C109 PolarHBondContact O-N 3Å; V107-C109 VanDerWaalsContact C-N 3.33Å; C109-F111 VanDerWaalsContact C-N 3.33Å; C109-F111 PolarHBondContact O-N 2.94Å; C109-R112 PolarHBondContact O-N 3.31Å; C109-I113 WeakPolarHBondContact O-CG1 3.23Å; C109-I113 PolarHBondContact O-N 3.18Å; C109-I113 VanDerWaalsContact O-N 3.07Å; C109-V241 HydrophobicContact CB-CG2 3.78Å; C109-C294 WeakPolarHBondContact CA-SG 3.48Å; C109-C294 HydrophobicContact CB-CB 3.74Å; C109-C294 WeakPolarHBondContact CB-SG 3.4Å; C109-C294 WeakPolarHBondContact SG-CA 3.36Å; C109-C294 WeakPolarHBondContact SG-CB 3.3Å; C109-C294 CovalentContact SG-SG 2.02Å; C109-C294 PolarHBondContact SG-SG 2.95Å
110R96.7Very high95Very high80 Ų8042.9 Ų42.930%0.30223%0.226SC..Hα-helixtrans-62.8-39.1179.1-66.5-172.9173.7169.2-0.2112.2T106 V107 I113 F114 A236 S239T106-R110 HydrophobicContact CG2-CG 4.23Å; T106-R110 WeakPolarHBondContact O-CG 3.24Å; T106-R110 PolarHBondContact O-N 3.33Å; V107-R110 PolarHBondContact O-N 3.04Å; R110-I113 PolarHBondContact O-N 3.42Å; R110-F114 VanDerWaalsContact O-CB 3.26Å; R110-F114 WeakPolarHBondContact O-CB 3.44Å; R110-F114 PolarHBondContact O-N 3.26Å; R110-A236 VanDerWaalsContact CG-O 3.32Å; R110-A236 WeakPolarHBondContact CG-O 3.43Å; R110-A236 WeakPolarHBondContact O-CB 3.47Å; R110-S239 WeakPolarHBondContact CG-O 3.38Å; R110-S239 PolarHBondContact NE-O 3.45Å
111F95.9Very high95.1Very high86 Ų8643.1 Ų43.138%0.37723%0.228SC..Hα-helixtrans-64.3-44.9177.2179-104.7000112.6L86 V107 F108 C109 I113 F114 L115L86-F111 HydrophobicContact CD1-CZ 4.29Å; V107-F111 WeakPolarHBondContact O-CB 3.34Å; V107-F111 PolarHBondContact O-N 3.29Å; F108-F111 PolarHBondContact O-N 2.93Å; C109-F111 VanDerWaalsContact C-N 3.33Å; C109-F111 PolarHBondContact O-N 2.94Å; F111-I113 VanDerWaalsContact C-N 3.35Å; F111-I113 PolarHBondContact O-N 3.1Å; F111-F114 PolarHBondContact O-N 3.16Å; F111-L115 WeakPolarHBondContact O-CB 3.31Å; F111-L115 PolarHBondContact O-N 3.14Å
112R95.1Very high95.2Very high37 Ų3741.5 Ų41.514%0.1422%0.217CC..Hα-helixtrans-55-53.2174175.8-170.6171.8-1522.5109.8F90 E91 F108 C109 F114 L115 T116F90-R112 HydrophobicContact CB-CG 4.3Å; F90-R112 HydrophobicContact CD2-CB 4.42Å; F90-R112 HydrophobicContact CD2-CG 4.3Å; F90-R112 HydrophobicContact CG-CG 4.4Å; E91-R112 IonicContact OE2-CZ 3.61Å; E91-R112 IonicContact OE2-NH2 3.48Å; E91-R112 PolarHBondContact OE2-NH2 3.47Å; F108-R112 WeakPolarHBondContact O-CB 3.24Å; F108-R112 PolarHBondContact O-N 3.29Å; C109-R112 PolarHBondContact O-N 3.31Å; R112-F114 PolarHBondContact O-N 2.87Å; R112-L115 PolarHBondContact O-N 2.81Å; R112-T116 WeakPolarHBondContact O-CG2 3.18Å; R112-T116 PolarHBondContact O-N 2.99Å; R112-T116 PolarHBondContact O-OG1 3.12Å; R112-T116 VanDerWaalsContact O-OG1 3.06Å
113I95.7Very high95.3Very high21 Ų2140.2 Ų40.211%0.10821%0.213CC..Hα-helixtrans-62.4-44-178.3-61.4-62.8000111.5C109 R110 F111 L115 T116 E117 I235 A236 S239C109-I113 WeakPolarHBondContact O-CG1 3.23Å; C109-I113 PolarHBondContact O-N 3.18Å; C109-I113 VanDerWaalsContact O-N 3.07Å; R110-I113 PolarHBondContact O-N 3.42Å; F111-I113 VanDerWaalsContact C-N 3.35Å; F111-I113 PolarHBondContact O-N 3.1Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.35Å; I113-T116 WeakPolarHBondContact CA-OG1 3.36Å; I113-T116 PolarHBondContact O-N 2.72Å; I113-T116 PolarHBondContact O-OG1 2.95Å; I113-T116 VanDerWaalsContact O-OG1 3.05Å; I113-E117 HydrophobicContact CG2-CG 4.39Å; I113-E117 WeakPolarHBondContact O-CG 3.38Å; I113-E117 PolarHBondContact O-N 2.78Å; I113-I235 HydrophobicContact CG2-CB 4.45Å; I113-I235 HydrophobicContact CG2-CG2 3.7Å; I113-A236 HydrophobicContact CG2-CB 4.47Å; I113-S239 WeakPolarHBondContact CG2-OG 3.28Å
114F97.6Very high95.3Very high48 Ų4835.4 Ų35.421%0.21118%0.183CC..Hα-helixtrans-55.1-48.4176172.4-101.3000111.4R110 F111 R112 E117 L118 A232 I233 A236R110-F114 VanDerWaalsContact O-CB 3.26Å; R110-F114 WeakPolarHBondContact O-CB 3.44Å; R110-F114 PolarHBondContact O-N 3.26Å; F111-F114 PolarHBondContact O-N 3.16Å; R112-F114 PolarHBondContact O-N 2.87Å; F114-E117 PolarHBondContact O-N 2.63Å; F114-L118 HydrophobicContact CE1-CD2 3.64Å; F114-L118 HydrophobicContact CZ-CB 4.5Å; F114-L118 HydrophobicContact CZ-CD2 3.71Å; F114-L118 WeakPolarHBondContact O-CB 3.38Å; F114-L118 PolarHBondContact O-N 2.84Å; F114-A232 HydrophobicContact CD2-CB 3.68Å; F114-A232 HydrophobicContact CE2-CB 3.81Å; F114-A232 WeakPolarHBondContact O-CB 3.39Å; F114-I233 HydrophobicContact CD2-CG1 3.96Å; F114-I233 HydrophobicContact CE2-CD1 4.44Å; F114-I233 HydrophobicContact CE2-CG1 3.79Å; F114-A236 HydrophobicContact CB-CB 3.71Å
115L96.1Very high95.4Very high7 Ų734 Ų344%0.03718%0.176CC..Hα-helixtrans-67.3-44.4-178.9-17783.1000112.3L82 L86 F111 R112 I113 E117 L118 C119L82-L115 HydrophobicContact CB-CD1 4.24Å; L86-L115 HydrophobicContact CB-CD1 4.44Å; L86-L115 HydrophobicContact CB-CD2 3.26Å; L86-L115 HydrophobicContact CB-CG 4.45Å; L86-L115 HydrophobicContact CD1-CD1 4.32Å; F111-L115 WeakPolarHBondContact O-CB 3.31Å; F111-L115 PolarHBondContact O-N 3.14Å; R112-L115 PolarHBondContact O-N 2.81Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.35Å; L115-E117 PolarHBondContact O-N 3.21Å; L115-L118 PolarHBondContact O-N 3.47Å; L115-C119 PolarHBondContact O-N 3.43Å; L115-C119 VanDerWaalsContact O-N 3.09Å
116T94Very high95.5Very high19 Ų1932.5 Ų32.512%0.11716%0.16CC..Hα-helixtrans-66.4-23179.152.20000112.3R112 I113 P120 Y423R112-T116 WeakPolarHBondContact O-CG2 3.18Å; R112-T116 PolarHBondContact O-N 2.99Å; R112-T116 PolarHBondContact O-OG1 3.12Å; R112-T116 VanDerWaalsContact O-OG1 3.06Å; I113-T116 WeakPolarHBondContact CA-OG1 3.36Å; I113-T116 PolarHBondContact O-N 2.72Å; I113-T116 PolarHBondContact O-OG1 2.95Å; I113-T116 VanDerWaalsContact O-OG1 3.05Å; T116-P120 WeakPolarHBondContact O-CD 3.4Å; T116-P120 WeakPolarHBondContact O-CG 3.32Å; T116-Y423 PolarHBondContact O-OH 2.98Å
117E95.3Very high95.3Very high29 Ų2930.3 Ų30.314%0.13615%0.147CC..Hα-helixtrans-88.7-36.4171.2-66.2-66.7152.500112.4I113 F114 L115 L121 A232 I235 R398I113-E117 HydrophobicContact CG2-CG 4.39Å; I113-E117 WeakPolarHBondContact O-CG 3.38Å; I113-E117 PolarHBondContact O-N 2.78Å; F114-E117 PolarHBondContact O-N 2.63Å; L115-E117 PolarHBondContact O-N 3.21Å; E117-L121 WeakPolarHBondContact O-CB 3.35Å; E117-L121 PolarHBondContact O-N 3.29Å; E117-A232 HydrophobicContact CB-CB 3.93Å; E117-I235 HydrophobicContact CG-CB 4.08Å; E117-I235 HydrophobicContact CG-CD1 3.94Å; E117-I235 HydrophobicContact CG-CG2 4.03Å; E117-I235 WeakPolarHBondContact OE2-CD1 3.35Å; E117-R398 IonicContact OE1-NH1 4Å; E117-R398 IonicContact OE2-NH1 3.89Å; E117-R398 PolarHBondContact OE2-NH1 2.93Å
118L97.2Very high95.3Very high11 Ų1125.7 Ų25.76%0.05812%0.119CC..Hα-helixtrans-66.8-55.9-176.7172.962.9000112.8F114 L115 L121 V122 W225 A232F114-L118 HydrophobicContact CE1-CD2 3.64Å; F114-L118 HydrophobicContact CZ-CB 4.5Å; F114-L118 HydrophobicContact CZ-CD2 3.71Å; F114-L118 WeakPolarHBondContact O-CB 3.38Å; F114-L118 PolarHBondContact O-N 2.84Å; L115-L118 PolarHBondContact O-N 3.47Å; L118-L121 PolarHBondContact O-N 3.41Å; L118-V122 HydrophobicContact CD1-CG2 3.76Å; L118-V122 HydrophobicContact CG-CG2 4.33Å; L118-V122 WeakPolarHBondContact O-CG2 3.45Å; L118-V122 PolarHBondContact O-N 2.92Å; L118-W225 HydrophobicContact CD1-CE3 4.41Å; L118-W225 HydrophobicContact CD2-CE3 4.34Å; L118-W225 HydrophobicContact CD2-CZ3 4.08Å; L118-W225 HydrophobicContact CG-CZ3 4.33Å; L118-A232 HydrophobicContact CB-CB 3.86Å
119C96.2Very high95.2Very high1 Ų122.4 Ų22.41%0.00711%0.105CC..Hα-helixtrans-60.2-45.3-170.7-66.60000112.2S79 L83 L115 L121 V122 S123S79-C119 WeakPolarHBondContact O-CB 3.49Å; S79-C119 PolarHBondContact O-SG 3.39Å; S79-C119 VanDerWaalsContact O-SG 3.39Å; L83-C119 HydrophobicContact CB-CB 3.89Å; L83-C119 HydrophobicContact CD1-CB 4.41Å; L115-C119 PolarHBondContact O-N 3.43Å; L115-C119 VanDerWaalsContact O-N 3.09Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 3.13Å; C119-V122 PolarHBondContact O-N 2.86Å; C119-S123 PolarHBondContact O-N 2.77Å; C119-S123 PolarHBondContact O-OG 2.98Å
120P93.8Very high94.9Very high13 Ų1322.6 Ų22.68%0.08411%0.106CC..Hα-helixtrans-63.5-38.8175.6-29.543.4000113.9T116 S123 I124 W391 Y423T116-P120 WeakPolarHBondContact O-CD 3.4Å; T116-P120 WeakPolarHBondContact O-CG 3.32Å; P120-S123 WeakPolarHBondContact O-CB 3.35Å; P120-S123 PolarHBondContact O-N 2.92Å; P120-I124 PolarHBondContact O-N 3.41Å; P120-W391 HydrophobicContact CB-CE3 4.11Å; P120-W391 HydrophobicContact CB-CH2 3.12Å; P120-W391 HydrophobicContact CB-CZ2 3.63Å; P120-W391 HydrophobicContact CB-CZ3 3.3Å; P120-W391 HydrophobicContact CG-CH2 2.99Å; P120-W391 HydrophobicContact CG-CZ2 3.75Å; P120-W391 HydrophobicContact CG-CZ3 3.51Å; P120-Y423 HydrophobicContact CG-CE2 4.2Å; P120-Y423 WeakPolarHBondContact CG-OH 3.5Å
121L95.2Very high94.6Very high12 Ų1218.8 Ų18.86%0.0639%0.092CC..Hα-helixtrans-65.7-41.4179179.755.4000111.2E117 L118 C119 S123 I124 L125 C231 F319E117-L121 WeakPolarHBondContact O-CB 3.35Å; E117-L121 PolarHBondContact O-N 3.29Å; L118-L121 PolarHBondContact O-N 3.41Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 3.13Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-I124 HydrophobicContact CD1-CG2 4.12Å; L121-I124 WeakPolarHBondContact O-CG2 3.41Å; L121-I124 PolarHBondContact O-N 2.82Å; L121-L125 HydrophobicContact CD1-CD1 3.94Å; L121-L125 HydrophobicContact CD1-CG 4.03Å; L121-L125 HydrophobicContact CG-CD1 4.01Å; L121-L125 WeakPolarHBondContact O-CB 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 3.21Å; L121-C231 HydrophobicContact CD2-CB 3.41Å; L121-C231 VanDerWaalsContact CD2-CB 3.41Å; L121-F319 HydrophobicContact CD1-CB 3.73Å; L121-F319 HydrophobicContact CD1-CD1 3.3Å; L121-F319 HydrophobicContact CD1-CD2 4.14Å; L121-F319 HydrophobicContact CD1-CE1 3.87Å; L121-F319 HydrophobicContact CD1-CG 3.46Å; L121-F319 VanDerWaalsContact CD1-CG 3.46Å; L121-F319 HydrophobicContact CD1-CZ 4.5Å
122V96.7Very high94.4Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-59.8-47.8171170.40000110.1L118 C119 I124 L125 I126 V224 W225L118-V122 HydrophobicContact CD1-CG2 3.76Å; L118-V122 HydrophobicContact CG-CG2 4.33Å; L118-V122 WeakPolarHBondContact O-CG2 3.45Å; L118-V122 PolarHBondContact O-N 2.92Å; C119-V122 PolarHBondContact O-N 2.86Å; V122-I124 PolarHBondContact O-N 3.42Å; V122-L125 PolarHBondContact O-N 3.22Å; V122-I126 HydrophobicContact CG1-CG1 4.17Å; V122-I126 WeakPolarHBondContact O-CB 3.21Å; V122-I126 VanDerWaalsContact O-CG1 3.23Å; V122-I126 WeakPolarHBondContact O-CG1 3.34Å; V122-I126 PolarHBondContact O-N 3.36Å; V122-V224 HydrophobicContact CB-CG1 4.47Å; V122-V224 HydrophobicContact CG1-CG1 4.18Å; V122-V224 HydrophobicContact CG2-CG1 4.44Å; V122-W225 HydrophobicContact CG1-CD2 4.32Å; V122-W225 HydrophobicContact CG1-CH2 4.26Å; V122-W225 HydrophobicContact CG1-CZ2 3.84Å; V122-W225 HydrophobicContact CG2-CD2 3.98Å; V122-W225 HydrophobicContact CG2-CE3 3.82Å; V122-W225 HydrophobicContact CG2-CH2 4.38Å; V122-W225 HydrophobicContact CG2-CZ3 4.03Å
123S94.6Very high94.1Very high4 Ų416.3 Ų16.33%0.0289%0.087CC..Hα-helixtrans-57.1-47.3179.6-66.20000112.1L76 S79 D80 C119 P120 L121 I126 L127L76-S123 WeakPolarHBondContact CD1-OG 3.45Å; S79-S123 PolarHBondContact OG-OG 3.34Å; D80-S123 PolarHBondContact OD1-OG 3.19Å; C119-S123 PolarHBondContact O-N 2.77Å; C119-S123 PolarHBondContact O-OG 2.98Å; P120-S123 WeakPolarHBondContact O-CB 3.35Å; P120-S123 PolarHBondContact O-N 2.92Å; L121-S123 VanDerWaalsContact C-N 3.35Å; S123-I126 PolarHBondContact O-N 3.06Å; S123-L127 WeakPolarHBondContact O-CB 3.28Å; S123-L127 VanDerWaalsContact O-CG 3.28Å; S123-L127 WeakPolarHBondContact O-CG 3.42Å; S123-L127 PolarHBondContact O-N 3.24Å
124I93.9Very high93.7Very high6 Ų617.2 Ų17.23%0.0319%0.089CC..Hα-helixtrans-69.6-38.6-179.5-157171.8000113.3P120 L121 V122 L127 T128 F319 P323 F387P120-I124 PolarHBondContact O-N 3.41Å; L121-I124 HydrophobicContact CD1-CG2 4.12Å; L121-I124 WeakPolarHBondContact O-CG2 3.41Å; L121-I124 PolarHBondContact O-N 2.82Å; V122-I124 PolarHBondContact O-N 3.42Å; I124-L127 PolarHBondContact O-N 3.09Å; I124-T128 WeakPolarHBondContact O-CB 3.1Å; I124-T128 PolarHBondContact O-N 3.26Å; I124-T128 PolarHBondContact O-OG1 3.43Å; I124-F319 WeakPolarHBondContact CD1-O 3.4Å; I124-P323 HydrophobicContact CD1-CB 3.57Å; I124-P323 HydrophobicContact CD1-CG 3.89Å; I124-P323 HydrophobicContact CG1-CB 3.86Å; I124-P323 HydrophobicContact CG1-CG 4.29Å; I124-F387 HydrophobicContact CB-CE1 3.95Å; I124-F387 HydrophobicContact CB-CE2 4.3Å; I124-F387 HydrophobicContact CB-CZ 3.53Å; I124-F387 HydrophobicContact CD1-CD1 4.44Å; I124-F387 HydrophobicContact CD1-CE1 3.43Å; I124-F387 VanDerWaalsContact CD1-CE1 3.43Å; I124-F387 HydrophobicContact CD1-CZ 3.88Å; I124-F387 HydrophobicContact CG1-CD1 4.39Å; I124-F387 HydrophobicContact CG1-CE1 3.52Å; I124-F387 HydrophobicContact CG1-CZ 3.68Å
125L94.8Very high93.3Very high33 Ų3317.4 Ų17.417%0.1739%0.089CC..Hα-helixtrans-64.8-42.6177.3-71.2173.7000110.7L121 V122 T128 I129 V224 I227L121-L125 HydrophobicContact CD1-CD1 3.94Å; L121-L125 HydrophobicContact CD1-CG 4.03Å; L121-L125 HydrophobicContact CG-CD1 4.01Å; L121-L125 WeakPolarHBondContact O-CB 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 3.21Å; V122-L125 PolarHBondContact O-N 3.22Å; L125-T128 PolarHBondContact O-N 3.19Å; L125-I129 WeakPolarHBondContact O-CB 3.47Å; L125-I129 WeakPolarHBondContact O-CD1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.33Å; L125-I129 PolarHBondContact O-N 2.93Å; L125-V224 HydrophobicContact CB-CG1 3.66Å; L125-V224 HydrophobicContact CB-CG2 4.25Å; L125-V224 HydrophobicContact CD1-CG1 4.03Å; L125-I227 HydrophobicContact CD1-CG2 4.08Å
126I94.8Very high92.9Very high2 Ų220.5 Ų20.51%0.0111%0.105CC..Hα-helixtrans-63.5-44.8175.5-69.3-60.9000111.5Y72 T75 L76 V122 S123 T128 I129 F130 I221 V224Y72-I126 HydrophobicContact CD1-CD1 4.21Å; Y72-I126 HydrophobicContact CD1-CG2 4.46Å; Y72-I126 HydrophobicContact CG-CG2 4.42Å; Y72-I126 WeakPolarHBondContact O-CG2 2.99Å; T75-I126 HydrophobicContact CG2-CB 4.48Å; T75-I126 HydrophobicContact CG2-CD1 3.51Å; T75-I126 HydrophobicContact CG2-CG1 3.67Å; T75-I126 HydrophobicContact CG2-CG2 3.99Å; L76-I126 HydrophobicContact CB-CG2 4.48Å; V122-I126 HydrophobicContact CG1-CG1 4.17Å; V122-I126 WeakPolarHBondContact O-CB 3.21Å; V122-I126 VanDerWaalsContact O-CG1 3.23Å; V122-I126 WeakPolarHBondContact O-CG1 3.34Å; V122-I126 PolarHBondContact O-N 3.36Å; S123-I126 PolarHBondContact O-N 3.06Å; I126-T128 VanDerWaalsContact C-N 3.28Å; I126-T128 PolarHBondContact O-N 3.45Å; I126-I129 PolarHBondContact O-N 3.46Å; I126-F130 WeakPolarHBondContact O-CB 3Å; I126-F130 PolarHBondContact O-N 2.92Å; I126-I221 HydrophobicContact CD1-CG1 4.19Å; I126-V224 HydrophobicContact CD1-CB 4.19Å; I126-V224 HydrophobicContact CD1-CG1 3.97Å; I126-V224 HydrophobicContact CD1-CG2 4.08Å; I126-V224 HydrophobicContact CG1-CG1 4Å
127L92.7Very high92.3Very high4 Ų421.2 Ų21.22%0.02111%0.111CC..Hα-helixtrans-62.4-37.3176.1-72176.7000112L76 S123 I124 F130 S131 M327 V383 F387L76-L127 HydrophobicContact CD2-CD2 4.24Å; S123-L127 WeakPolarHBondContact O-CB 3.28Å; S123-L127 VanDerWaalsContact O-CG 3.28Å; S123-L127 WeakPolarHBondContact O-CG 3.42Å; S123-L127 PolarHBondContact O-N 3.24Å; I124-L127 PolarHBondContact O-N 3.09Å; L127-F130 PolarHBondContact O-N 2.92Å; L127-S131 WeakPolarHBondContact O-CB 3.22Å; L127-S131 PolarHBondContact O-N 3.49Å; L127-S131 PolarHBondContact O-OG 2.88Å; L127-M327 VanDerWaalsContact C-CE 3.43Å; L127-M327 HydrophobicContact CB-CE 3.81Å; L127-M327 WeakPolarHBondContact O-CE 3.33Å; L127-V383 HydrophobicContact CD1-CG1 4.48Å; L127-V383 HydrophobicContact CD2-CG1 3.5Å; L127-F387 HydrophobicContact CD1-CB 3.92Å; L127-F387 HydrophobicContact CD1-CD1 4.44Å; L127-F387 HydrophobicContact CD1-CD2 3.37Å; L127-F387 HydrophobicContact CD1-CE2 4.03Å; L127-F387 HydrophobicContact CD1-CG 3.63Å
128T93.9Very high91.7Very high22 Ų2220.3 Ų20.314%0.13511%0.107CC..Hα-helixtrans-64.2-52.7176.4-57.10000111.5I124 L125 I126 F130 S131 V132 I326 M327I124-T128 WeakPolarHBondContact O-CB 3.1Å; I124-T128 PolarHBondContact O-N 3.26Å; I124-T128 PolarHBondContact O-OG1 3.43Å; L125-T128 PolarHBondContact O-N 3.19Å; I126-T128 VanDerWaalsContact C-N 3.28Å; I126-T128 PolarHBondContact O-N 3.45Å; T128-F130 VanDerWaalsContact C-N 3.29Å; T128-F130 PolarHBondContact O-N 3.07Å; T128-S131 PolarHBondContact O-N 3.45Å; T128-S131 VanDerWaalsContact O-N 3.17Å; T128-V132 WeakPolarHBondContact O-CG2 3.24Å; T128-V132 PolarHBondContact O-N 3.37Å; T128-I326 HydrophobicContact CG2-CG2 4.4Å; T128-M327 VanDerWaalsContact CA-SD 3.56Å
129I93.1Very high91.1Very high35 Ų3520.8 Ų20.818%0.17911%0.111CC..Hα-helixtrans-56.6-45.2175.2-77.5159.4000111.2Y72 L125 I126 S131 V132 E133 L220 V224Y72-I129 HydrophobicContact CD1-CG2 4.42Å; Y72-I129 HydrophobicContact CE1-CG2 3.71Å; Y72-I129 HydrophobicContact CE2-CG2 4.06Å; L125-I129 WeakPolarHBondContact O-CB 3.47Å; L125-I129 WeakPolarHBondContact O-CD1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.33Å; L125-I129 PolarHBondContact O-N 2.93Å; I126-I129 PolarHBondContact O-N 3.46Å; I129-S131 VanDerWaalsContact C-N 3.29Å; I129-S131 PolarHBondContact O-N 3.31Å; I129-V132 PolarHBondContact O-N 3.06Å; I129-E133 PolarHBondContact O-N 3.43Å; I129-L220 HydrophobicContact CB-CD2 4.37Å; I129-L220 HydrophobicContact CD1-CD1 3.85Å; I129-L220 HydrophobicContact CD1-CD2 4.04Å; I129-L220 HydrophobicContact CD1-CG 3.8Å; I129-L220 HydrophobicContact CG1-CD1 4.43Å; I129-L220 HydrophobicContact CG1-CD2 4.11Å; I129-L220 HydrophobicContact CG1-CG 4.4Å; I129-L220 HydrophobicContact CG2-CD2 3.37Å; I129-L220 HydrophobicContact CG2-CG 4.24Å; I129-V224 HydrophobicContact CD1-CG2 3.23Å
130F89.7Confident90.4Very high5 Ų523.5 Ų23.52%0.02212%0.123CC..Hα-helixtrans-58.4-45.3179.8179.6-136.9000110.7T69 Y72 I126 L127 T128 E133 R134 L380T69-F130 HydrophobicContact CG2-CE2 3.47Å; T69-F130 VanDerWaalsContact CG2-CE2 3.47Å; T69-F130 HydrophobicContact CG2-CZ 3.79Å; Y72-F130 HydrophobicContact CD2-CB 4.3Å; Y72-F130 AromaticContact CD2-CD2 3.99Å; Y72-F130 HydrophobicContact CD2-CD2 3.99Å; I126-F130 WeakPolarHBondContact O-CB 3Å; I126-F130 PolarHBondContact O-N 2.92Å; L127-F130 PolarHBondContact O-N 2.92Å; T128-F130 VanDerWaalsContact C-N 3.29Å; T128-F130 PolarHBondContact O-N 3.07Å; F130-E133 PolarHBondContact O-N 3.19Å; F130-R134 HydrophobicContact CD2-CG 4.04Å; F130-R134 HydrophobicContact CE2-CG 3.81Å; F130-R134 HydrophobicContact CZ-CG 4.21Å; F130-R134 WeakPolarHBondContact O-CG 3.41Å; F130-R134 PolarHBondContact O-N 3.01Å; F130-L380 HydrophobicContact CD1-CD2 3.93Å; F130-L380 HydrophobicContact CE1-CD2 2.99Å; F130-L380 HydrophobicContact CE1-CG 4.47Å; F130-L380 HydrophobicContact CE2-CD2 4.29Å; F130-L380 HydrophobicContact CZ-CD2 3.22Å
131S91.2Very high89.5Confident0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-69-39.4-179.3-54.80000112.9L127 T128 I129 E133 R134 Y135 M327 Y331L127-S131 WeakPolarHBondContact O-CB 3.22Å; L127-S131 PolarHBondContact O-N 3.49Å; L127-S131 PolarHBondContact O-OG 2.88Å; T128-S131 PolarHBondContact O-N 3.45Å; T128-S131 VanDerWaalsContact O-N 3.17Å; I129-S131 VanDerWaalsContact C-N 3.29Å; I129-S131 PolarHBondContact O-N 3.31Å; S131-E133 VanDerWaalsContact C-N 3.33Å; S131-E133 PolarHBondContact O-N 2.89Å; S131-R134 PolarHBondContact O-N 3.07Å; S131-Y135 WeakPolarHBondContact O-CB 3.41Å; S131-Y135 PolarHBondContact O-N 2.82Å; S131-M327 WeakPolarHBondContact CB-SD 3.5Å; S131-M327 WeakPolarHBondContact OG-CE 3.4Å; S131-M327 PolarHBondContact OG-SD 2.65Å; S131-Y331 WeakPolarHBondContact CB-OH 3.1Å; S131-Y331 WeakPolarHBondContact OG-CE2 3.19Å; S131-Y331 VanDerWaalsContact OG-CZ 3.31Å; S131-Y331 PolarHBondContact OG-OH 3.37Å
132V91.4Very high87.8Confident56 Ų5632 Ų3234%0.33916%0.164SC..Hα-helixtrans-59-46.2170.9172.80000110.3T128 I129 R134 Y135 L136 L330T128-V132 WeakPolarHBondContact O-CG2 3.24Å; T128-V132 PolarHBondContact O-N 3.37Å; I129-V132 PolarHBondContact O-N 3.06Å; V132-R134 VanDerWaalsContact C-N 3.32Å; V132-R134 PolarHBondContact O-N 3.32Å; V132-Y135 PolarHBondContact O-N 3.09Å; V132-L136 HydrophobicContact CG1-CD1 4.02Å; V132-L136 HydrophobicContact CG1-CG 4.42Å; V132-L136 WeakPolarHBondContact O-CB 3.39Å; V132-L136 VanDerWaalsContact O-CG 3.3Å; V132-L136 WeakPolarHBondContact O-CG 3.34Å; V132-L136 PolarHBondContact O-N 2.96Å; V132-L330 HydrophobicContact CB-CD1 4.45Å; V132-L330 HydrophobicContact CG2-CD1 3.63Å
133E87.7Confident86Confident15 Ų1540.5 Ų40.57%0.0720%0.196CC..Hα-helixtrans-62.2-41.2178.5-171.3-175.2120.600112R68 Y72 I129 F130 S131 L136 S137R68-E133 IonicContact CZ-OE1 3.59Å; R68-E133 IonicContact CZ-OE2 3.15Å; R68-E133 IonicContact NE-OE2 3.38Å; R68-E133 IonicContact NH1-OE1 2.83Å; R68-E133 PolarHBondContact NH1-OE1 3.47Å; R68-E133 IonicContact NH1-OE2 3.54Å; R68-E133 PolarHBondContact NH1-OE2 3.1Å; Y72-E133 WeakPolarHBondContact CE2-OE2 3.42Å; Y72-E133 PolarHBondContact OH-OE2 3.09Å; I129-E133 PolarHBondContact O-N 3.43Å; F130-E133 PolarHBondContact O-N 3.19Å; S131-E133 VanDerWaalsContact C-N 3.33Å; S131-E133 PolarHBondContact O-N 2.89Å; E133-L136 PolarHBondContact O-N 3.01Å; E133-S137 WeakPolarHBondContact O-CB 3.11Å; E133-S137 PolarHBondContact O-N 3.29Å
134R87.5Confident83.9Confident40 Ų4043 Ų4315%0.15121%0.206CC..Hα-helixtrans-65.2-47.2177.5-68.4-57.997.1171.111.1110.9T69 F130 S131 V132 L136 S137 I138 M334 L380T69-R134 PolarHBondContact OG1-NH2 3.12Å; F130-R134 HydrophobicContact CD2-CG 4.04Å; F130-R134 HydrophobicContact CE2-CG 3.81Å; F130-R134 HydrophobicContact CZ-CG 4.21Å; F130-R134 WeakPolarHBondContact O-CG 3.41Å; F130-R134 PolarHBondContact O-N 3.01Å; S131-R134 PolarHBondContact O-N 3.07Å; V132-R134 VanDerWaalsContact C-N 3.32Å; V132-R134 PolarHBondContact O-N 3.32Å; R134-L136 PolarHBondContact O-N 3.44Å; R134-S137 PolarHBondContact O-N 3.35Å; R134-S137 VanDerWaalsContact O-N 3.15Å; R134-S137 PolarHBondContact O-OG 3.36Å; R134-I138 WeakPolarHBondContact O-CB 3.31Å; R134-I138 WeakPolarHBondContact O-CG1 3.32Å; R134-I138 PolarHBondContact O-N 2.93Å; R134-M334 HydrophobicContact CB-CE 3.69Å; R134-M334 HydrophobicContact CB-SD 4.27Å; R134-L380 HydrophobicContact CB-CD1 3.92Å; R134-L380 HydrophobicContact CG-CD1 3.56Å; R134-L380 HydrophobicContact CG-CD2 4.24Å
135Y89.3Confident81.9Confident51 Ų5147.2 Ų47.220%0.223%0.228CC..Hα-helixtrans-54.2-51.8173.3169.5-97.6000111.4S131 V132 S137 I138 C139 H140 L330 L333 M334S131-Y135 WeakPolarHBondContact O-CB 3.41Å; S131-Y135 PolarHBondContact O-N 2.82Å; V132-Y135 PolarHBondContact O-N 3.09Å; Y135-S137 VanDerWaalsContact C-N 3.28Å; Y135-S137 PolarHBondContact O-N 3.13Å; Y135-I138 PolarHBondContact O-N 3.39Å; Y135-I138 VanDerWaalsContact O-N 3.12Å; Y135-C139 HydrophobicContact CD2-CB 4.13Å; Y135-C139 HydrophobicContact CE2-CB 3.8Å; Y135-C139 WeakPolarHBondContact O-CB 3.21Å; Y135-C139 PolarHBondContact O-N 3.05Å; Y135-H140 AromaticContact CE1-CD2 3.73Å; Y135-H140 AromaticContact CE1-NE2 3.77Å; Y135-H140 AromaticContact CZ-CD2 3.99Å; Y135-H140 AromaticContact CZ-NE2 3.68Å; Y135-H140 PolarHBondContact OH-NE2 3.04Å; Y135-H140 VanDerWaalsContact OH-NE2 3.16Å; Y135-L330 HydrophobicContact CD1-CD2 3.9Å; Y135-L330 HydrophobicContact CD2-CD2 3.96Å; Y135-L330 HydrophobicContact CE1-CD2 4.44Å; Y135-L330 HydrophobicContact CE2-CD2 4.49Å; Y135-L330 HydrophobicContact CG-CD2 3.64Å; Y135-L333 HydrophobicContact CD2-CB 4.24Å; Y135-L333 HydrophobicContact CE2-CB 3.82Å; Y135-L333 HydrophobicContact CE2-CD1 3.78Å; Y135-L333 HydrophobicContact CE2-CG 4.47Å; Y135-M334 HydrophobicContact CD2-CG 4.16Å
136L88.3Confident79.5Confident73 Ų7350.7 Ų50.738%0.38225%0.246SC..Hα-helixtrans-61.2-35.3178.7-68.6174.3000112.5V132 E133 R134 H140V132-L136 HydrophobicContact CG1-CD1 4.02Å; V132-L136 HydrophobicContact CG1-CG 4.42Å; V132-L136 WeakPolarHBondContact O-CB 3.39Å; V132-L136 VanDerWaalsContact O-CG 3.3Å; V132-L136 WeakPolarHBondContact O-CG 3.34Å; V132-L136 PolarHBondContact O-N 2.96Å; E133-L136 PolarHBondContact O-N 3.01Å; R134-L136 PolarHBondContact O-N 3.44Å; L136-H140 CarbonylContact O-C 3.45Å; L136-H140 PolarHBondContact O-N 3.35Å
137S81.7Confident77.5Confident34 Ų3460.3 Ų60.324%0.23828%0.282CS..Hα-helixtrans-71.5-30.9176.976.90000113.9E133 R134 Y135E133-S137 WeakPolarHBondContact O-CB 3.11Å; E133-S137 PolarHBondContact O-N 3.29Å; R134-S137 PolarHBondContact O-N 3.35Å; R134-S137 VanDerWaalsContact O-N 3.15Å; R134-S137 PolarHBondContact O-OG 3.36Å; Y135-S137 VanDerWaalsContact C-N 3.28Å; Y135-S137 PolarHBondContact O-N 3.13Å
138I81.5Confident75.5Confident9 Ų962.8 Ų62.85%0.04629%0.293CS..Hα-helixtrans-91-55.1-173.7-72.4-170.1000109.6R134 Y135 M334 Q337 L338 R373 V377R134-I138 WeakPolarHBondContact O-CB 3.31Å; R134-I138 WeakPolarHBondContact O-CG1 3.32Å; R134-I138 PolarHBondContact O-N 2.93Å; Y135-I138 PolarHBondContact O-N 3.39Å; Y135-I138 VanDerWaalsContact O-N 3.12Å; I138-M334 HydrophobicContact CD1-CE 3.66Å; I138-M334 HydrophobicContact CG2-CG 4.33Å; I138-Q337 HydrophobicContact CG2-CG 4.42Å; I138-L338 HydrophobicContact CG2-CG 4.5Å; I138-R373 HydrophobicContact CD1-CG 4.34Å; I138-R373 PolarHBondContact O-NH2 3.47Å; I138-V377 HydrophobicContact CD1-CG2 3.45Å; I138-V377 VanDerWaalsContact CD1-CG2 3.45Å
139C85.6Confident73.1Confident21 Ų2164.8 Ų64.814%0.14231%0.308CS..Hα-helixtrans-82.9-26.2-172.2-58.60000112.9Y135 P141Y135-C139 HydrophobicContact CD2-CB 4.13Å; Y135-C139 HydrophobicContact CE2-CB 3.8Å; Y135-C139 WeakPolarHBondContact O-CB 3.21Å; Y135-C139 PolarHBondContact O-N 3.05Å; C139-P141 VanDerWaalsContact C-CD 3.4Å; C139-P141 WeakPolarHBondContact O-CD 3.25Å
140H82.2Confident70.8Confident59 Ų5970.1 Ų70.127%0.27333%0.332SS..  trans-125.855.7-175.9-61.1-73.3000113.5Y135 L136 F142 R143Y135-H140 AromaticContact CE1-CD2 3.73Å; Y135-H140 AromaticContact CE1-NE2 3.77Å; Y135-H140 AromaticContact CZ-CD2 3.99Å; Y135-H140 AromaticContact CZ-NE2 3.68Å; Y135-H140 PolarHBondContact OH-NE2 3.04Å; Y135-H140 VanDerWaalsContact OH-NE2 3.16Å; L136-H140 CarbonylContact O-C 3.45Å; L136-H140 PolarHBondContact O-N 3.35Å; H140-F142 VanDerWaalsContact C-N 3.26Å; H140-F142 PolarHBondContact O-N 3.4Å; H140-R143 HydrophobicContact CB-CB 4.19Å; H140-R143 HydrophobicContact CB-CG 4.2Å; H140-R143 PolarHBondContact O-N 2.83Å
141P72.9Confident68.7Low53 Ų5375.1 Ų75.134%0.34435%0.352SS..Hα-helixtrans-59.9-35.4-175.425.7-34.3000112.6C139 K144 I145C139-P141 VanDerWaalsContact C-CD 3.4Å; C139-P141 WeakPolarHBondContact O-CD 3.25Å; P141-K144 PolarHBondContact O-N 3.42Å; P141-I145 WeakPolarHBondContact O-CG1 3.44Å; P141-I145 PolarHBondContact O-N 2.99Å
142F60.3Low66.5Low151 Ų15177.6 Ų77.666%0.66237%0.365SS*.Hα-helixtrans-73.8-27.4-179.1-64.2-69.7000113.9H140 K144 I145 L146H140-F142 VanDerWaalsContact C-N 3.26Å; H140-F142 PolarHBondContact O-N 3.4Å; F142-K144 VanDerWaalsContact C-N 3.26Å; F142-K144 PolarHBondContact O-N 3.48Å; F142-I145 HydrophobicContact CD1-CD1 4.11Å; F142-I145 PolarHBondContact O-N 3.48Å; F142-L146 WeakPolarHBondContact O-CG 3.38Å; F142-L146 PolarHBondContact O-N 3.33Å
143R58.1Low64.3Low177 Ų17778.4 Ų78.467%0.66838%0.378SS*.Hα-helixtrans-65.8-31.3174.3-72.6-170.2179.9-152.4-0.2111.8H140H140-R143 HydrophobicContact CB-CB 4.19Å; H140-R143 HydrophobicContact CB-CG 4.2Å; H140-R143 PolarHBondContact O-N 2.83Å
144K51.1Low62.1Low56 Ų5680.7 Ų80.724%0.24341%0.405CS..Hα-helixtrans-68.2-51.3170.6-70.9-168.3-177.9-176.40109.7P141 F142 L146 R147 F148P141-K144 PolarHBondContact O-N 3.42Å; F142-K144 VanDerWaalsContact C-N 3.26Å; F142-K144 PolarHBondContact O-N 3.48Å; K144-L146 VanDerWaalsContact C-N 3.33Å; K144-L146 PolarHBondContact O-N 2.98Å; K144-R147 PolarHBondContact O-N 2.93Å; K144-F148 HydrophobicContact CB-CE2 4.5Å; K144-F148 WeakPolarHBondContact O-CD2 3.45Å; K144-F148 PolarHBondContact O-N 2.87Å
145I52.9Low60.1Low96 Ų9683.6 Ų83.649%0.49242%0.42SS..Hα-helixtrans-58.9-39.2-177.3-62.8165.6000112.5P141 F142 R147 F148 S149P141-I145 WeakPolarHBondContact O-CG1 3.44Å; P141-I145 PolarHBondContact O-N 2.99Å; F142-I145 HydrophobicContact CD1-CD1 4.11Å; F142-I145 PolarHBondContact O-N 3.48Å; I145-R147 PolarHBondContact O-N 3.44Å; I145-F148 WeakPolarHBondContact O-CB 3.31Å; I145-F148 PolarHBondContact O-N 3.41Å; I145-F148 VanDerWaalsContact O-N 3.15Å; I145-S149 PolarHBondContact O-N 3.29Å
146L43.4Very low57.9Low105 Ų10586 Ų8655%0.5544%0.442SS..Hα-helixtrans-66.4-35.2178.8-76.1162000113.2F142 K144 F148 S149 Q150F142-L146 WeakPolarHBondContact O-CG 3.38Å; F142-L146 PolarHBondContact O-N 3.33Å; K144-L146 VanDerWaalsContact C-N 3.33Å; K144-L146 PolarHBondContact O-N 2.98Å; L146-F148 VanDerWaalsContact C-N 3.3Å; L146-F148 PolarHBondContact O-N 3.23Å; L146-S149 PolarHBondContact O-N 3.34Å; L146-Q150 WeakPolarHBondContact O-CG 3.36Å; L146-Q150 PolarHBondContact O-N 3.3Å
147R52.7Low56.1Low204 Ų20487 Ų8777%0.7745%0.454SS*.Hα-helixtrans-65.7-33.2171.9-74.4-169.7-171.2178.22.1112.3K144 I145 Y151K144-R147 PolarHBondContact O-N 2.93Å; I145-R147 PolarHBondContact O-N 3.44Å; R147-Y151 PolarHBondContact O-N 2.97Å
148F50.3Low54.4Low57 Ų5788.8 Ų88.825%0.2546%0.461CS..Hα-helixtrans-69-44171.2-70.7-91.5000110.8K144 I145 L146 Q150 Y151 D152 T205 V209K144-F148 HydrophobicContact CB-CE2 4.5Å; K144-F148 WeakPolarHBondContact O-CD2 3.45Å; K144-F148 PolarHBondContact O-N 2.87Å; I145-F148 WeakPolarHBondContact O-CB 3.31Å; I145-F148 PolarHBondContact O-N 3.41Å; I145-F148 VanDerWaalsContact O-N 3.15Å; L146-F148 VanDerWaalsContact C-N 3.3Å; L146-F148 PolarHBondContact O-N 3.23Å; F148-Q150 PolarHBondContact O-N 3.42Å; F148-Y151 WeakPolarHBondContact O-CB 3.27Å; F148-Y151 PolarHBondContact O-N 2.99Å; F148-D152 PolarHBondContact O-N 2.9Å; F148-D152 VanDerWaalsContact O-N 3.08Å; F148-T205 HydrophobicContact CD1-CG2 4.11Å; F148-T205 HydrophobicContact CE1-CG2 3.48Å; F148-T205 VanDerWaalsContact CE1-CG2 3.48Å; F148-T205 HydrophobicContact CE2-CG2 4.39Å; F148-T205 HydrophobicContact CZ-CG2 3.73Å; F148-V209 HydrophobicContact CD1-CB 3.78Å; F148-V209 HydrophobicContact CD1-CG1 3.42Å; F148-V209 VanDerWaalsContact CD1-CG1 3.42Å; F148-V209 HydrophobicContact CD1-CG2 3.86Å; F148-V209 HydrophobicContact CE1-CB 3.39Å; F148-V209 HydrophobicContact CE1-CG1 2.94Å; F148-V209 HydrophobicContact CE1-CG2 4.02Å; F148-V209 HydrophobicContact CG-CG1 4.43Å; F148-V209 HydrophobicContact CZ-CB 4.39Å; F148-V209 HydrophobicContact CZ-CG1 3.58Å
149S44.4Very low52.5Low64 Ų6498.7 Ų98.745%0.44850%0.498SS..Hα-helixtrans-65.8-34.4-179.3-170.20000113.6I145 L146 Y151 D152 A153I145-S149 PolarHBondContact O-N 3.29Å; L146-S149 PolarHBondContact O-N 3.34Å; S149-Y151 VanDerWaalsContact C-N 3.34Å; S149-D152 PolarHBondContact O-N 3.18Å; S149-A153 WeakPolarHBondContact O-CB 3.5Å; S149-A153 PolarHBondContact O-N 3.02Å
150Q45.3Very low50.5Low147 Ų147102.3 Ų102.369%0.68752%0.519SS*.Hα-helixtrans-70-32.1175.6-77.9177.7-39.100112.1L146 F148 G154L146-Q150 WeakPolarHBondContact O-CG 3.36Å; L146-Q150 PolarHBondContact O-N 3.3Å; F148-Q150 PolarHBondContact O-N 3.42Å; Q150-G154 PolarHBondContact O-N 3.18Å
151Y44.8Very low48.6Very low109 Ų109105.7 Ų105.743%0.42754%0.539SS..Hα-helixtrans-69.4-40.1173.6-162.2-91.5000111.5R147 F148 S149 G154 I208R147-Y151 PolarHBondContact O-N 2.97Å; F148-Y151 WeakPolarHBondContact O-CB 3.27Å; F148-Y151 PolarHBondContact O-N 2.99Å; S149-Y151 VanDerWaalsContact C-N 3.34Å; Y151-G154 PolarHBondContact O-N 2.89Å; Y151-I208 HydrophobicContact CE1-CG2 4.45Å
152D45.1Very low47Very low52 Ų52112 Ų11228%0.27856%0.557SS.*Hα-helixtrans-70.7-29.8175.4-68.6-29.8000112.9F148 S149 N158F148-D152 PolarHBondContact O-N 2.9Å; F148-D152 VanDerWaalsContact O-N 3.08Å; S149-D152 PolarHBondContact O-N 3.18Å; D152-N158 PolarHBondContact O-ND2 3.32Å
153A44.8Very low46Very low74 Ų74112 Ų11261%0.61256%0.561SS**Hα-helixtrans-75.2-22.6175.100000113.4S149S149-A153 WeakPolarHBondContact O-CB 3.5Å; S149-A153 PolarHBondContact O-N 3.02Å
154G42.1Very low45.3Very low62 Ų62111.5 Ų111.564%0.63957%0.566SS**THydrogen-bonded Turntrans-85.5-4.917600000114.6Q150 Y151Q150-G154 PolarHBondContact O-N 3.18Å; Y151-G154 PolarHBondContact O-N 2.89Å
155H44.6Very low44.8Very low102 Ų102114.9 Ų114.947%0.47259%0.587SS.*SBendtrans-73.6128.7-178.5-130.3-62.2000110.7C157 N158H155-C157 PolarHBondContact O-N 3.11Å; H155-N158 PolarHBondContact O-N 3.09Å
156P42.7Very low44.3Very low102 Ų102113.6 Ų113.666%0.66259%0.59SS**Hα-helixtrans-53.4-29-177.4-29.535.7000114.7N158 R159P156-N158 VanDerWaalsContact C-N 3.33Å; P156-N158 PolarHBondContact O-N 3.09Å; P156-R159 PolarHBondContact O-N 3.38Å
157C51.7Low44.1Very low94 Ų94115.2 Ų115.264%0.63560%0.599SS**Hα-helixtrans-70.8-19.8178.1-66.10000114.7H155 T160H155-C157 PolarHBondContact O-N 3.11Å; C157-T160 PolarHBondContact O-OG1 2.99Å
158N46.7Very low43.6Very low71 Ų71110 Ų11038%0.3859%0.594SS.*Hα-helixtrans-86.4-16.8176.6-93.9-17.3000112.8D152 H155 P156 T160 Y162D152-N158 PolarHBondContact O-ND2 3.32Å; H155-N158 PolarHBondContact O-N 3.09Å; P156-N158 VanDerWaalsContact C-N 3.33Å; P156-N158 PolarHBondContact O-N 3.09Å; N158-T160 VanDerWaalsContact C-N 3.34Å; N158-Y162 WeakPolarHBondContact O-CD2 3.41Å
159R40.7Very low43Very low217 Ų217116.8 Ų116.882%0.81962%0.624SS**Hα-helixtrans-72.5-28.6176.1-116.2-178.4-165.2-158.73.5112.7P156P156-R159 PolarHBondContact O-N 3.38Å
160T44.2Very low42.7Very low97 Ų97117.6 Ų117.660%0.59563%0.634SS**Hα-helixtrans-80.2-28.7-179.923.20000113.4C157 N158C157-T160 PolarHBondContact O-OG1 2.99Å; N158-T160 VanDerWaalsContact C-N 3.34Å
161L42.7Very low42.2Very low129 Ų129115.9 Ų115.968%0.67564%0.638SS**Hα-helixtrans-75.8-26.3-178.3-133.784.8000113.8
162Y37.8Very low41.8Very low185 Ų185120.2 Ų120.273%0.72566%0.662SS**Hα-helixtrans-83.8-24.7178.6-81.4-84.3000113.7N158N158-Y162 WeakPolarHBondContact O-CD2 3.41Å
163M39.1Very low41.3Very low151 Ų151122.8 Ų122.874%0.74468%0.684SS**Hα-helixtrans-73.1-31.7175.7-81.1-77.3-16500112.5N165M163-N165 PolarHBondContact O-N 3.44Å
164H44.3Very low40.9Very low167 Ų167124.4 Ų124.477%0.77369%0.691SS**THydrogen-bonded Turntrans-78.8-18.3-177.1-118.3-71000114.6
165N41.3Very low40.5Very low128 Ų128128.6 Ų128.668%0.68469%0.694SS**THydrogen-bonded Turntrans-98.5-6.1-178.1-136.3-2.3000113.6M163M163-N165 PolarHBondContact O-N 3.44Å
166A41.2Very low40Very low68 Ų68134.1 Ų134.156%0.56271%0.71SS**THydrogen-bonded Turntrans-82.7-23.7174.700000112.8
167N39.8Very low39.9Very low140 Ų140136.1 Ų136.175%0.74971%0.714SS**THydrogen-bonded Turntrans-86-4.3179.6-75.8-10.1000114.4
168S41.2Very low39.1Very low95 Ų95135.4 Ų135.466%0.66471%0.71SS**THydrogen-bonded Turntrans-93.64.1-178.6-171.80000114.4
169K39Very low38.7Very low199 Ų199141.7 Ų141.787%0.86573%0.734SS**SBendtrans-120.313.1-178.9-78.1-173.1176.8-179.50114.9
170A36.4Very low38.8Very low80 Ų80136.9 Ų136.966%0.66173%0.729SS**  trans-123.284.5176.700000110.5
171S35.5Very low38.7Very low112 Ų112137.1 Ų137.178%0.78373%0.725SS**  trans179.671.8153.538.10000109.9S173S171-S173 VanDerWaalsContact C-N 3.26Å; S171-S173 PolarHBondContact O-N 2.91Å
172H36.5Very low38.5Very low200 Ų200137.3 Ų137.393%0.92673%0.727SS**  trans-84.270.4163.6-137-58.4000108.3
173S34.5Very low38.6Very low105 Ų105132.6 Ų132.673%0.73472%0.721SS**  trans169.998.1166.552.80000110.1S171S171-S173 VanDerWaalsContact C-N 3.26Å; S171-S173 PolarHBondContact O-N 2.91Å
174S36.6Very low38.5Very low109 Ų109133.7 Ų133.776%0.76272%0.724SS**  trans17695.2143.9-178.70000108.2
175E33.3Very low38.1Very low150 Ų150133.7 Ų133.770%0.70173%0.727SS**  trans-44.5150.6158-101.1177.2105.800113
176R34.9Very low37.9Very low217 Ų217137.7 Ų137.782%0.81973%0.732SS**SBendtrans88.70.7146.2-75.7176.8-160.1-155.33.5124
177I40.3Very low37.6Very low144 Ų144141.5 Ų141.574%0.73874%0.743SS**SBendtrans-104.7-17.7-177-63.3-178.4000116.5K179I177-K179 PolarHBondContact O-N 2.78Å
178S35.1Very low37.2Very low79 Ų79140.2 Ų140.255%0.55275%0.745SS**THydrogen-bonded Turntrans-97.117.5-173.5-166.80000116.5V180S178-V180 VanDerWaalsContact C-N 3.33Å
179K39.1Very low36.9Very low204 Ų204141.7 Ų141.789%0.88775%0.75SS**THydrogen-bonded Turntrans-82.7-3.4174-87.1-172.3178.1179.70114.5I177I177-K179 PolarHBondContact O-N 2.78Å
180V41.6Very low36.4Very low115 Ų115140.9 Ų140.970%0.69775%0.75SS**SBendtrans-103.2-16.9-179.9179.50000112.9S178S178-V180 VanDerWaalsContact C-N 3.33Å
181I41.8Very low36.2Very low103 Ų103143.1 Ų143.153%0.52875%0.749SS.*G310 helixtrans-87.5-19-174.6-61.7177.3000112.7S183I181-S183 PolarHBondContact O-N 2.95Å
182N38.6Very low35.8Very low133 Ų133147.4 Ų147.471%0.71175%0.75SS**G310 helixtrans-871.3-176.2-81-22.3000115.7
183S40.3Very low35.4Very low85 Ų85147.9 Ų147.959%0.59475%0.745SS**G310 helixtrans-106.4-8.617764.30000114.9I181I181-S183 PolarHBondContact O-N 2.95Å
184Q37.7Very low35.2Very low175 Ų175147 Ų14782%0.81874%0.739SS**SBendtrans-104.5-8.2-179.6-82.4-162.3-31.600115.8R186Q184-R186 VanDerWaalsContact C-N 3.32Å; Q184-R186 PolarHBondContact O-N 3.44Å
185M36.3Very low34.8Very low167 Ų167149.1 Ų149.182%0.82374%0.741SS**  trans-9223.3176.4-70.7-156.6-167.500114.3
186R36.6Very low34.6Very low211 Ų211146 Ų14680%0.79674%0.736SS**SBendtrans-90.62.4-174.8-143.1-179-81.9-165.9-2.8114.9Q184Q184-R186 VanDerWaalsContact C-N 3.32Å; Q184-R186 PolarHBondContact O-N 3.44Å
187N33.6Very low34.2Very low148 Ų148143.3 Ų143.379%0.79173%0.733SS**SBendtrans-144.7133.4170.9-81.3-29.4000108.5
188S33.3Very low33.9Very low114 Ų114141.8 Ų141.880%0.79773%0.732SS**SBendtrans83.571.3173.6-45.90000116.9
189T34.4Very low33.5Very low125 Ų125146.7 Ų146.777%0.76775%0.746SS**  170.9105.4124.923.90000109.6I191T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 3.31Å
190Q27.7Very low33.2Very low183 Ų183144.5 Ų144.586%0.85573%0.733SS**  trans-6892.7159-81.7-168.1-12.900108
191I32.9Very low32.7Very low127 Ų127147 Ų14765%0.65174%0.735SS**  trans-93.2105159.4-62.5177.2000105.9T189 Y193T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 3.31Å; I191-Y193 PolarHBondContact O-N 3.14Å
192Y27.4Very low32.3Very low202 Ų202154.2 Ų154.279%0.79276%0.755SS**  trans-53102.7169.3-108.6-99.7000109S194Y192-S194 PolarHBondContact O-N 3Å
193Y27.9Very low32.7Very low210 Ų210151.3 Ų151.382%0.82476%0.757SS**  trans-68.689.7160.9-94.7-90.5000107.6I191 N195I191-Y193 PolarHBondContact O-N 3.14Å; Y193-N195 VanDerWaalsContact C-N 3.29Å; Y193-N195 PolarHBondContact O-N 3.32Å
194S29.1Very low33Very low87 Ų87154.1 Ų154.161%0.60876%0.761SS**  trans-6496.1160.8178.10000107.7Y192 S196Y192-S194 PolarHBondContact O-N 3Å; S194-S196 PolarHBondContact O-N 2.98Å; S194-S196 PolarHBondContact OG-OG 3.41Å
195N28.8Very low34Very low152 Ų152148.7 Ų148.781%0.81374%0.739SS**  trans-68.260.2161.9-100.6-19.7000109.1Y193 Q197Y193-N195 VanDerWaalsContact C-N 3.29Å; Y193-N195 PolarHBondContact O-N 3.32Å; N195-Q197 VanDerWaalsContact C-N 3.27Å; N195-Q197 PolarHBondContact O-N 3.4Å
196S29.6Very low35.3Very low86 Ų86142.3 Ų142.360%0.60171%0.71SS**  trans-89.272.4165.535.10000108.1S194 P198S194-S196 PolarHBondContact O-N 2.98Å; S194-S196 PolarHBondContact OG-OG 3.41Å; S196-P198 WeakPolarHBondContact O-CD 3.45Å
197Q27.1Very low37Very low160 Ų160140.5 Ų140.575%0.74871%0.705SS**  trans-51.1122152.4-82.3-101.9-2500106.8N195 H199N195-Q197 VanDerWaalsContact C-N 3.27Å; N195-Q197 PolarHBondContact O-N 3.4Å; Q197-H199 VanDerWaalsContact C-N 3.3Å; Q197-H199 PolarHBondContact O-N 3.39Å
198P32.3Very low38.8Very low112 Ų112137.5 Ų137.573%0.72769%0.688SS**  trans-66.4102.8169.527-28.3000105.5S196 Y200S196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-Y200 PolarHBondContact O-N 3.18Å
199H28.2Very low40.8Very low181 Ų181133.1 Ų133.184%0.83866%0.656SS**  trans-59.285.3163.7-98.2-76.9000107.1Q197 K201Q197-H199 VanDerWaalsContact C-N 3.3Å; Q197-H199 PolarHBondContact O-N 3.39Å; H199-K201 PolarHBondContact O-N 3.23Å
200Y33.1Very low42.7Very low158 Ų158132 Ų13262%0.6264%0.642SS**  trans-65.895.4167.9-157.4-87.2000105.3P198 R202P198-Y200 PolarHBondContact O-N 3.18Å; Y200-R202 VanDerWaalsContact C-N 3.26Å; Y200-R202 PolarHBondContact O-N 2.97Å
201K30.3Very low45.2Very low167 Ų167126 Ų12673%0.72662%0.615SS**  trans-57.597.1172-94.5-177.5177.3172.50107H199 G203 H204H199-K201 PolarHBondContact O-N 3.23Å; K201-G203 VanDerWaalsContact C-N 3.31Å; K201-G203 PolarHBondContact O-N 2.97Å; K201-H204 PolarHBondContact O-N 3.05Å
202R33.9Very low47.5Very low255 Ų255123.1 Ų123.196%0.96260%0.601SS**THydrogen-bonded Turntrans-52.491.5173.9-155178.3-158.2173.95.8108.1Y200Y200-R202 VanDerWaalsContact C-N 3.26Å; Y200-R202 PolarHBondContact O-N 2.97Å
203G45.3Very low50.1Low72 Ų72114.8 Ų114.874%0.74257%0.574SS**THydrogen-bonded Turntrans152.1-13.9-179.200000117.8K201K201-G203 VanDerWaalsContact C-N 3.31Å; K201-G203 PolarHBondContact O-N 2.97Å
204H47.4Very low52.9Low145 Ų145106.9 Ų106.967%0.67155%0.546SS*.  trans-90111.1173.1-86-86.4000110.7K201K201-H204 PolarHBondContact O-N 3.05Å
205T59Low55.7Low60 Ų60109.2 Ų109.237%0.36855%0.545SS..  trans-61.6130.7163.935.80000108.5F148 Y207 Q210F148-T205 HydrophobicContact CD1-CG2 4.11Å; F148-T205 HydrophobicContact CE1-CG2 3.48Å; F148-T205 VanDerWaalsContact CE1-CG2 3.48Å; F148-T205 HydrophobicContact CE2-CG2 4.39Å; F148-T205 HydrophobicContact CZ-CG2 3.73Å; T205-Y207 PolarHBondContact O-N 2.96Å; T205-Q210 PolarHBondContact OG1-NE2 3.31Å
206P63.8Low58.6Low33 Ų33105.7 Ų105.721%0.21453%0.533CS..  trans-55.9136.4-179.4-21.830.2000110.2I208 V209 Q210P206-I208 HydrophobicContact CB-CG2 3.93Å; P206-I208 PolarHBondContact O-N 2.98Å; P206-I208 VanDerWaalsContact O-N 3.14Å; P206-V209 HydrophobicContact CB-CG2 4.09Å; P206-V209 HydrophobicContact CG-CG2 4.15Å; P206-V209 PolarHBondContact O-N 3.08Å; P206-Q210 PolarHBondContact O-N 3.4Å
207Y71.6Confident61.6Low174 Ų174101.7 Ų101.768%0.68251%0.505SS*.Hα-helixtrans-50.9-38.9180177.9-107.6000112T205 V209 Q210 I211T205-Y207 PolarHBondContact O-N 2.96Å; Y207-V209 VanDerWaalsContact C-N 3.29Å; Y207-V209 PolarHBondContact O-N 2.96Å; Y207-Q210 WeakPolarHBondContact O-CB 3.42Å; Y207-Q210 PolarHBondContact O-N 3.47Å; Y207-Q210 VanDerWaalsContact O-N 3.11Å; Y207-I211 HydrophobicContact CD1-CD1 3.69Å; Y207-I211 HydrophobicContact CD1-CG1 4.48Å; Y207-I211 HydrophobicContact CE1-CD1 3.17Å; Y207-I211 HydrophobicContact CE1-CG1 4.13Å; Y207-I211 HydrophobicContact CE2-CD1 4.38Å; Y207-I211 HydrophobicContact CG-CD1 4.48Å; Y207-I211 PolarHBondContact O-N 2.89Å
208I72.5Confident64.8Low84 Ų8499.6 Ų99.643%0.43149%0.493SS..Hα-helixtrans-58.4-37.7175.7-165.9161.1000113.1Y151 P206 I211 N212Y151-I208 HydrophobicContact CE1-CG2 4.45Å; P206-I208 HydrophobicContact CB-CG2 3.93Å; P206-I208 PolarHBondContact O-N 2.98Å; P206-I208 VanDerWaalsContact O-N 3.14Å; I208-I211 PolarHBondContact O-N 3.49Å; I208-N212 WeakPolarHBondContact O-CB 3.46Å; I208-N212 VanDerWaalsContact O-CG 3.27Å; I208-N212 PolarHBondContact O-N 2.89Å
209V74Confident67.7Low23 Ų2399.5 Ų99.514%0.13949%0.486CS..Hα-helixtrans-77-29.5179.4-168.40000111.3F148 P206 Y207 A213F148-V209 HydrophobicContact CD1-CB 3.78Å; F148-V209 HydrophobicContact CD1-CG1 3.42Å; F148-V209 VanDerWaalsContact CD1-CG1 3.42Å; F148-V209 HydrophobicContact CD1-CG2 3.86Å; F148-V209 HydrophobicContact CE1-CB 3.39Å; F148-V209 HydrophobicContact CE1-CG1 2.94Å; F148-V209 HydrophobicContact CE1-CG2 4.02Å; F148-V209 HydrophobicContact CG-CG1 4.43Å; F148-V209 HydrophobicContact CZ-CB 4.39Å; F148-V209 HydrophobicContact CZ-CG1 3.58Å; P206-V209 HydrophobicContact CB-CG2 4.09Å; P206-V209 HydrophobicContact CG-CG2 4.15Å; P206-V209 PolarHBondContact O-N 3.08Å; Y207-V209 VanDerWaalsContact C-N 3.29Å; Y207-V209 PolarHBondContact O-N 2.96Å; V209-A213 VanDerWaalsContact O-CB 3.26Å; V209-A213 WeakPolarHBondContact O-CB 3.43Å; V209-A213 PolarHBondContact O-N 2.94Å
210Q74.7Confident70.9Confident101 Ų10194 Ų9447%0.47246%0.462SS..Hα-helixtrans-65.2-43.1170.6-61.1-173.29.100111.2T205 P206 Y207 A213 L214T205-Q210 PolarHBondContact OG1-NE2 3.31Å; P206-Q210 PolarHBondContact O-N 3.4Å; Y207-Q210 WeakPolarHBondContact O-CB 3.42Å; Y207-Q210 PolarHBondContact O-N 3.47Å; Y207-Q210 VanDerWaalsContact O-N 3.11Å; Q210-A213 PolarHBondContact O-N 3.01Å; Q210-L214 WeakPolarHBondContact O-CB 3.37Å; Q210-L214 PolarHBondContact O-N 2.91Å
211I80.2Confident73.9Confident57 Ų5787.3 Ų87.329%0.29244%0.437SS..Hα-helixtrans-61.1-49.4174-71.1172.9000111Y207 I208 A213 L214 K215Y207-I211 HydrophobicContact CD1-CD1 3.69Å; Y207-I211 HydrophobicContact CD1-CG1 4.48Å; Y207-I211 HydrophobicContact CE1-CD1 3.17Å; Y207-I211 HydrophobicContact CE1-CG1 4.13Å; Y207-I211 HydrophobicContact CE2-CD1 4.38Å; Y207-I211 HydrophobicContact CG-CD1 4.48Å; Y207-I211 PolarHBondContact O-N 2.89Å; I208-I211 PolarHBondContact O-N 3.49Å; I211-A213 VanDerWaalsContact C-N 3.28Å; I211-A213 PolarHBondContact O-N 3.4Å; I211-L214 WeakPolarHBondContact O-CA 3.21Å; I211-L214 WeakPolarHBondContact O-CB 3.42Å; I211-L214 PolarHBondContact O-N 3.17Å; I211-K215 HydrophobicContact CG2-CD 4.19Å; I211-K215 HydrophobicContact CG2-CG 4.32Å; I211-K215 WeakPolarHBondContact O-CG 3.23Å; I211-K215 PolarHBondContact O-N 3.39Å
212N82Confident77.1Confident66 Ų6685.4 Ų85.435%0.35343%0.429SS..Hα-helixtrans-61.5-39.4-179.3-72.7-13.7000111.6I208 L214 K215 S216I208-N212 WeakPolarHBondContact O-CB 3.46Å; I208-N212 VanDerWaalsContact O-CG 3.27Å; I208-N212 PolarHBondContact O-N 2.89Å; N212-L214 VanDerWaalsContact C-N 3.31Å; N212-L214 PolarHBondContact O-N 2.73Å; N212-K215 PolarHBondContact O-N 2.92Å; N212-S216 PolarHBondContact O-N 3.36Å
213A81Confident80.1Confident28 Ų2875.7 Ų75.723%0.23140%0.4CS..Hα-helixtrans-63.4-38.4173.900000111.9R68 V209 Q210 I211 C217R68-A213 VanDerWaalsContact CD-O 3.3Å; R68-A213 WeakPolarHBondContact CD-O 3.46Å; V209-A213 VanDerWaalsContact O-CB 3.26Å; V209-A213 WeakPolarHBondContact O-CB 3.43Å; V209-A213 PolarHBondContact O-N 2.94Å; Q210-A213 PolarHBondContact O-N 3.01Å; I211-A213 VanDerWaalsContact C-N 3.28Å; I211-A213 PolarHBondContact O-N 3.4Å; A213-C217 WeakPolarHBondContact O-CB 3.49Å; A213-C217 PolarHBondContact O-N 3.36Å
214L86.5Confident82.6Confident44 Ų4472.5 Ų72.523%0.2337%0.366CS..Hα-helixtrans-69.2-42.7177.3-16468.2000111.9R68 C71 Q210 I211 N212 S216 C217 F218R68-L214 HydrophobicContact CG-CD1 4.38Å; C71-L214 VanDerWaalsContact SG-CD1 3.54Å; Q210-L214 WeakPolarHBondContact O-CB 3.37Å; Q210-L214 PolarHBondContact O-N 2.91Å; I211-L214 WeakPolarHBondContact O-CA 3.21Å; I211-L214 WeakPolarHBondContact O-CB 3.42Å; I211-L214 PolarHBondContact O-N 3.17Å; N212-L214 VanDerWaalsContact C-N 3.31Å; N212-L214 PolarHBondContact O-N 2.73Å; L214-S216 VanDerWaalsContact C-N 3.35Å; L214-S216 PolarHBondContact O-N 2.94Å; L214-C217 WeakPolarHBondContact O-CA 3.17Å; L214-C217 WeakPolarHBondContact O-CB 3.32Å; L214-C217 PolarHBondContact O-N 2.9Å; L214-C217 VanDerWaalsContact O-N 3.1Å; L214-F218 HydrophobicContact CD1-CE2 4.26Å; L214-F218 HydrophobicContact CD2-CE2 3.85Å; L214-F218 HydrophobicContact CD2-CZ 4.46Å; L214-F218 HydrophobicContact CG-CD2 4.1Å; L214-F218 HydrophobicContact CG-CE2 3.56Å; L214-F218 HydrophobicContact CG-CZ 4.27Å; L214-F218 WeakPolarHBondContact O-CD2 3.23Å; L214-F218 PolarHBondContact O-N 3.35Å
215K88.7Confident85Confident135 Ų13568.1 Ų68.159%0.58734%0.344SS*.Hα-helixtrans-57-46.8173-72.1-178.1176-176.40111.9I211 N212 C217 F218 L219I211-K215 HydrophobicContact CG2-CD 4.19Å; I211-K215 HydrophobicContact CG2-CG 4.32Å; I211-K215 WeakPolarHBondContact O-CG 3.23Å; I211-K215 PolarHBondContact O-N 3.39Å; N212-K215 PolarHBondContact O-N 2.92Å; K215-C217 VanDerWaalsContact C-N 3.28Å; K215-C217 PolarHBondContact O-N 3.34Å; K215-F218 PolarHBondContact O-N 2.99Å; K215-L219 PolarHBondContact O-N 3.37Å
216S89.1Confident86.8Confident79 Ų7969.2 Ų69.255%0.55235%0.346SS*.Hα-helixtrans-62-35.7175.6174.60000112.5N212 L214 L220N212-S216 PolarHBondContact O-N 3.36Å; L214-S216 VanDerWaalsContact C-N 3.35Å; L214-S216 PolarHBondContact O-N 2.94Å; S216-L220 WeakPolarHBondContact O-CB 3.32Å; S216-L220 PolarHBondContact O-N 3.39Å
217C92.5Very high88.4Confident2 Ų271.6 Ų71.61%0.01436%0.356CS..Hα-helixtrans-66.4-43.3175.2-178.90000112R68 Y72 A213 L214 K215 L220 I221R68-C217 HydrophobicContact CB-CB 4.19Å; R68-C217 HydrophobicContact CG-CB 3.72Å; Y72-C217 VanDerWaalsContact CE1-SG 3.52Å; Y72-C217 VanDerWaalsContact CZ-SG 3.58Å; A213-C217 WeakPolarHBondContact O-CB 3.49Å; A213-C217 PolarHBondContact O-N 3.36Å; L214-C217 WeakPolarHBondContact O-CA 3.17Å; L214-C217 WeakPolarHBondContact O-CB 3.32Å; L214-C217 PolarHBondContact O-N 2.9Å; L214-C217 VanDerWaalsContact O-N 3.1Å; K215-C217 VanDerWaalsContact C-N 3.28Å; K215-C217 PolarHBondContact O-N 3.34Å; C217-L220 PolarHBondContact O-N 3.5Å; C217-I221 WeakPolarHBondContact O-CG1 3.36Å; C217-I221 PolarHBondContact O-N 3.41Å
218F93.8Very high89.6Confident115 Ų11563.3 Ų63.350%0.50432%0.324SS..Hα-helixtrans-63.3-42175.1-72.8-58.7000112.7L214 K215 L220 I221 F222L214-F218 HydrophobicContact CD1-CE2 4.26Å; L214-F218 HydrophobicContact CD2-CE2 3.85Å; L214-F218 HydrophobicContact CD2-CZ 4.46Å; L214-F218 HydrophobicContact CG-CD2 4.1Å; L214-F218 HydrophobicContact CG-CE2 3.56Å; L214-F218 HydrophobicContact CG-CZ 4.27Å; L214-F218 WeakPolarHBondContact O-CD2 3.23Å; L214-F218 PolarHBondContact O-N 3.35Å; K215-F218 PolarHBondContact O-N 2.99Å; F218-L220 VanDerWaalsContact C-N 3.29Å; F218-L220 PolarHBondContact O-N 2.93Å; F218-I221 PolarHBondContact O-N 2.91Å; F218-F222 WeakPolarHBondContact O-CB 3.2Å; F218-F222 PolarHBondContact O-N 3.31Å
219L94.3Very high90.8Very high111 Ų11160.7 Ų60.758%0.58131%0.313SS*.Hα-helixtrans-59.1-43.7174.4-178.464.8000111.1K215 F222 C223K215-L219 PolarHBondContact O-N 3.37Å; L219-F222 WeakPolarHBondContact O-CB 3.28Å; L219-F222 PolarHBondContact O-N 2.91Å; L219-C223 PolarHBondContact O-N 3.46Å; L219-C223 PolarHBondContact O-SG 3.21Å
220L94.9Very high91.9Very high64 Ų6463.3 Ų63.334%0.33533%0.331SS..Hα-helixtrans-64.4-42.6178.2-176.459.9000112.2Y72 I129 S216 C217 F218 F222 C223 V224Y72-L220 HydrophobicContact CE1-CD2 4.5Å; I129-L220 HydrophobicContact CB-CD2 4.37Å; I129-L220 HydrophobicContact CD1-CD1 3.85Å; I129-L220 HydrophobicContact CD1-CD2 4.04Å; I129-L220 HydrophobicContact CD1-CG 3.8Å; I129-L220 HydrophobicContact CG1-CD1 4.43Å; I129-L220 HydrophobicContact CG1-CD2 4.11Å; I129-L220 HydrophobicContact CG1-CG 4.4Å; I129-L220 HydrophobicContact CG2-CD2 3.37Å; I129-L220 HydrophobicContact CG2-CG 4.24Å; S216-L220 WeakPolarHBondContact O-CB 3.32Å; S216-L220 PolarHBondContact O-N 3.39Å; C217-L220 PolarHBondContact O-N 3.5Å; F218-L220 VanDerWaalsContact C-N 3.29Å; F218-L220 PolarHBondContact O-N 2.93Å; L220-F222 VanDerWaalsContact C-N 3.34Å; L220-C223 PolarHBondContact O-N 3.24Å; L220-V224 WeakPolarHBondContact O-CG2 3.47Å; L220-V224 PolarHBondContact O-N 3.19Å
221I96.6Very high92.9Very high18 Ų1859.3 Ų59.39%0.09231%0.314CS..Hα-helixtrans-60.7-45.4174.4-69.2168.5000110.1C71 Y72 T75 I126 C217 F218 C223 V224 W225C71-I221 HydrophobicContact CB-CD1 3.8Å; Y72-I221 HydrophobicContact CD1-CD1 4Å; Y72-I221 HydrophobicContact CD1-CG1 3.9Å; Y72-I221 HydrophobicContact CE1-CD1 4.26Å; Y72-I221 HydrophobicContact CE1-CG1 3.95Å; T75-I221 HydrophobicContact CG2-CD1 4.17Å; T75-I221 HydrophobicContact CG2-CG1 4.2Å; T75-I221 HydrophobicContact CG2-CG2 4.19Å; I126-I221 HydrophobicContact CD1-CG1 4.19Å; C217-I221 WeakPolarHBondContact O-CG1 3.36Å; C217-I221 PolarHBondContact O-N 3.41Å; F218-I221 PolarHBondContact O-N 2.91Å; I221-C223 PolarHBondContact O-N 3Å; I221-V224 WeakPolarHBondContact O-CB 3.41Å; I221-V224 PolarHBondContact O-N 3.37Å; I221-V224 VanDerWaalsContact O-N 3.09Å; I221-W225 VanDerWaalsContact O-CD1 3.25Å; I221-W225 PolarHBondContact O-N 3.34Å; I221-W225 VanDerWaalsContact O-N 3.1Å
222F97Very high93.7Very high128 Ų12856.7 Ų56.756%0.56130%0.301SS*.Hα-helixtrans-58-46.8176.4-179.4-98.5000111.7F218 L219 L220 V224 W225 I226F218-F222 WeakPolarHBondContact O-CB 3.2Å; F218-F222 PolarHBondContact O-N 3.31Å; L219-F222 WeakPolarHBondContact O-CB 3.28Å; L219-F222 PolarHBondContact O-N 2.91Å; L220-F222 VanDerWaalsContact C-N 3.34Å; F222-V224 VanDerWaalsContact C-N 3.27Å; F222-V224 PolarHBondContact O-N 2.89Å; F222-W225 PolarHBondContact O-N 3.39Å; F222-I226 HydrophobicContact CD1-CG1 4.18Å; F222-I226 HydrophobicContact CE1-CD1 4.28Å; F222-I226 HydrophobicContact CE1-CG1 3.78Å; F222-I226 HydrophobicContact CE2-CD1 4.42Å; F222-I226 HydrophobicContact CE2-CG1 4.46Å; F222-I226 HydrophobicContact CZ-CD1 3.95Å; F222-I226 HydrophobicContact CZ-CG1 3.94Å; F222-I226 WeakPolarHBondContact O-CG1 3.47Å; F222-I226 PolarHBondContact O-N 3.17Å
223C97.4Very high94.5Very high51 Ų5157.5 Ų57.535%0.34530%0.304SS..Hα-helixtrans-58.1-38.6174.6-66.40000112.4L219 L220 I221 I226 I227L219-C223 PolarHBondContact O-N 3.46Å; L219-C223 PolarHBondContact O-SG 3.21Å; L220-C223 PolarHBondContact O-N 3.24Å; I221-C223 PolarHBondContact O-N 3Å; C223-I226 PolarHBondContact O-N 3.17Å; C223-I227 WeakPolarHBondContact O-CB 3.47Å; C223-I227 WeakPolarHBondContact O-CD1 3.35Å; C223-I227 VanDerWaalsContact O-CG1 3.22Å; C223-I227 WeakPolarHBondContact O-CG1 3.49Å; C223-I227 PolarHBondContact O-N 2.88Å
224V97.2Very high95.2Very high4 Ų457.4 Ų57.42%0.02430%0.301CS..Hα-helixtrans-61.8-44.5176.8169.20000111.7V122 L125 I126 I129 L220 I221 F222 I227 G228V122-V224 HydrophobicContact CB-CG1 4.47Å; V122-V224 HydrophobicContact CG1-CG1 4.18Å; V122-V224 HydrophobicContact CG2-CG1 4.44Å; L125-V224 HydrophobicContact CB-CG1 3.66Å; L125-V224 HydrophobicContact CB-CG2 4.25Å; L125-V224 HydrophobicContact CD1-CG1 4.03Å; I126-V224 HydrophobicContact CD1-CB 4.19Å; I126-V224 HydrophobicContact CD1-CG1 3.97Å; I126-V224 HydrophobicContact CD1-CG2 4.08Å; I126-V224 HydrophobicContact CG1-CG1 4Å; I129-V224 HydrophobicContact CD1-CG2 3.23Å; L220-V224 WeakPolarHBondContact O-CG2 3.47Å; L220-V224 PolarHBondContact O-N 3.19Å; I221-V224 WeakPolarHBondContact O-CB 3.41Å; I221-V224 PolarHBondContact O-N 3.37Å; I221-V224 VanDerWaalsContact O-N 3.09Å; F222-V224 VanDerWaalsContact C-N 3.27Å; F222-V224 PolarHBondContact O-N 2.89Å; V224-I227 PolarHBondContact O-N 3.03Å; V224-G228 PolarHBondContact O-N 3.4Å
225W98.2Very high95.7Very high54 Ų5455.4 Ų55.421%0.20529%0.29CS..Hα-helixtrans-65-39.1177.5-78.596.2000112.6T75 V78 L82 L118 V122 I221 F222 S229T75-W225 PolarHBondContact OG1-NE1 2.99Å; V78-W225 HydrophobicContact CG1-CH2 4.28Å; V78-W225 HydrophobicContact CG1-CZ2 4.07Å; L82-W225 HydrophobicContact CD1-CH2 3.78Å; L82-W225 HydrophobicContact CD1-CZ3 4.07Å; L118-W225 HydrophobicContact CD1-CE3 4.41Å; L118-W225 HydrophobicContact CD2-CE3 4.34Å; L118-W225 HydrophobicContact CD2-CZ3 4.08Å; L118-W225 HydrophobicContact CG-CZ3 4.33Å; V122-W225 HydrophobicContact CG1-CD2 4.32Å; V122-W225 HydrophobicContact CG1-CH2 4.26Å; V122-W225 HydrophobicContact CG1-CZ2 3.84Å; V122-W225 HydrophobicContact CG2-CD2 3.98Å; V122-W225 HydrophobicContact CG2-CE3 3.82Å; V122-W225 HydrophobicContact CG2-CH2 4.38Å; V122-W225 HydrophobicContact CG2-CZ3 4.03Å; I221-W225 VanDerWaalsContact O-CD1 3.25Å; I221-W225 PolarHBondContact O-N 3.34Å; I221-W225 VanDerWaalsContact O-N 3.1Å; F222-W225 PolarHBondContact O-N 3.39Å; W225-S229 VanDerWaalsContact O-CB 3.25Å; W225-S229 WeakPolarHBondContact O-CB 3.19Å; W225-S229 PolarHBondContact O-N 3.46Å; W225-S229 PolarHBondContact O-OG 2.94Å
226I98Very high96.1Very high82 Ų8249.3 Ų49.342%0.42127%0.265SS..Hα-helixtrans-64.5-51.9175.4-64.5-61.6000110.8F222 C223 G228 S229 C230F222-I226 HydrophobicContact CD1-CG1 4.18Å; F222-I226 HydrophobicContact CE1-CD1 4.28Å; F222-I226 HydrophobicContact CE1-CG1 3.78Å; F222-I226 HydrophobicContact CE2-CD1 4.42Å; F222-I226 HydrophobicContact CE2-CG1 4.46Å; F222-I226 HydrophobicContact CZ-CD1 3.95Å; F222-I226 HydrophobicContact CZ-CG1 3.94Å; F222-I226 WeakPolarHBondContact O-CG1 3.47Å; F222-I226 PolarHBondContact O-N 3.17Å; C223-I226 PolarHBondContact O-N 3.17Å; I226-G228 VanDerWaalsContact C-N 3.3Å; I226-G228 PolarHBondContact O-N 3.34Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-S229 VanDerWaalsContact O-N 3.17Å; I226-C230 PolarHBondContact O-N 3.24Å; I226-C230 PolarHBondContact O-SG 3.4Å
227I96.5Very high96.5Very high84 Ų8445.8 Ų45.843%0.43124%0.242SC..Hα-helixtrans-58.2-46.5177.9-68.6165.3000110.1L125 C223 V224 S229 C230 C231L125-I227 HydrophobicContact CD1-CG2 4.08Å; C223-I227 WeakPolarHBondContact O-CB 3.47Å; C223-I227 WeakPolarHBondContact O-CD1 3.35Å; C223-I227 VanDerWaalsContact O-CG1 3.22Å; C223-I227 WeakPolarHBondContact O-CG1 3.49Å; C223-I227 PolarHBondContact O-N 2.88Å; V224-I227 PolarHBondContact O-N 3.03Å; I227-S229 VanDerWaalsContact C-N 3.31Å; I227-S229 PolarHBondContact O-N 3.36Å; I227-C230 PolarHBondContact O-N 3.04Å; I227-C231 PolarHBondContact O-N 3.34Å; I227-C231 PolarHBondContact O-SG 3.21Å
228G96.9Very high96.7Very high0 Ų045.8 Ų45.80%024%0.242CC..Hα-helixtrans-56-46.5177.100000112.1V224 I226 C231 A232V224-G228 PolarHBondContact O-N 3.4Å; I226-G228 VanDerWaalsContact C-N 3.3Å; I226-G228 PolarHBondContact O-N 3.34Å; G228-C231 PolarHBondContact O-N 3.39Å; G228-A232 VanDerWaalsContact O-CB 3.31Å; G228-A232 WeakPolarHBondContact O-CB 3.3Å; G228-A232 PolarHBondContact O-N 3Å
229S97.6Very high96.9Very high29 Ų2940.3 Ų40.320%0.20322%0.218CC..Hα-helixtrans-68.8-43.6-178.2-61.70000112.1W225 I226 I227 C231 A232 I233W225-S229 VanDerWaalsContact O-CB 3.25Å; W225-S229 WeakPolarHBondContact O-CB 3.19Å; W225-S229 PolarHBondContact O-N 3.46Å; W225-S229 PolarHBondContact O-OG 2.94Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-S229 VanDerWaalsContact O-N 3.17Å; I227-S229 VanDerWaalsContact C-N 3.31Å; I227-S229 PolarHBondContact O-N 3.36Å; S229-C231 VanDerWaalsContact C-N 3.28Å; S229-C231 PolarHBondContact O-N 3.25Å; S229-A232 PolarHBondContact O-N 3.08Å; S229-I233 WeakPolarHBondContact O-CB 3.33Å; S229-I233 WeakPolarHBondContact O-CG1 3.39Å; S229-I233 PolarHBondContact O-N 2.95Å
230C96.8Very high97Very high78 Ų7836.5 Ų36.553%0.52720%0.198SC..Hα-helixtrans-58.3-40.9174.6-68.90000111.8I226 I227I226-C230 PolarHBondContact O-N 3.24Å; I226-C230 PolarHBondContact O-SG 3.4Å; I227-C230 PolarHBondContact O-N 3.04Å
231C96.3Very high97.1Very high17 Ų1734.9 Ų34.912%0.11519%0.19CC..Hα-helixtrans-75.1-38.1179.9-60.90000112.7L121 I227 G228 S229 V234 W315 F319L121-C231 HydrophobicContact CD2-CB 3.41Å; L121-C231 VanDerWaalsContact CD2-CB 3.41Å; I227-C231 PolarHBondContact O-N 3.34Å; I227-C231 PolarHBondContact O-SG 3.21Å; G228-C231 PolarHBondContact O-N 3.39Å; S229-C231 VanDerWaalsContact C-N 3.28Å; S229-C231 PolarHBondContact O-N 3.25Å; C231-V234 PolarHBondContact O-N 2.95Å; C231-W315 HydrophobicContact CB-CZ2 4.15Å; C231-W315 PolarHBondContact O-NE1 3.36Å; C231-F319 HydrophobicContact CB-CE2 4.04Å; C231-F319 HydrophobicContact CB-CZ 4.15Å; C231-F319 WeakPolarHBondContact SG-CZ 3.28Å
232A97.4Very high97.1Very high1 Ų136.1 Ų36.11%0.00820%0.195CC..Hα-helixtrans-68.5-34.7177.900000112.3F114 E117 L118 G228 S229 V234 I235 A236F114-A232 HydrophobicContact CD2-CB 3.68Å; F114-A232 HydrophobicContact CE2-CB 3.81Å; F114-A232 WeakPolarHBondContact O-CB 3.39Å; E117-A232 HydrophobicContact CB-CB 3.93Å; L118-A232 HydrophobicContact CB-CB 3.86Å; G228-A232 VanDerWaalsContact O-CB 3.31Å; G228-A232 WeakPolarHBondContact O-CB 3.3Å; G228-A232 PolarHBondContact O-N 3Å; S229-A232 PolarHBondContact O-N 3.08Å; A232-V234 PolarHBondContact O-N 2.79Å; A232-I235 PolarHBondContact O-N 3.46Å; A232-A236 WeakPolarHBondContact O-CB 3.48Å; A232-A236 PolarHBondContact O-N 3.38Å
233I97.2Very high97.1Very high83 Ų8335.6 Ų35.643%0.42619%0.19SC..Hα-helixtrans-56.5-34.2174-87.3167.5000111.8F114 S229 A236 G237 W302F114-I233 HydrophobicContact CD2-CG1 3.96Å; F114-I233 HydrophobicContact CE2-CD1 4.44Å; F114-I233 HydrophobicContact CE2-CG1 3.79Å; S229-I233 WeakPolarHBondContact O-CB 3.33Å; S229-I233 WeakPolarHBondContact O-CG1 3.39Å; S229-I233 PolarHBondContact O-N 2.95Å; I233-A236 PolarHBondContact O-N 2.62Å; I233-G237 WeakPolarHBondContact O-CA 3.2Å; I233-G237 PolarHBondContact O-N 3.37Å; I233-W302 HydrophobicContact CG2-CH2 3.6Å; I233-W302 HydrophobicContact CG2-CZ3 4.09Å
234V97Very high96.9Very high26 Ų2635.1 Ų35.116%0.15819%0.19CC..Hα-helixtrans-62.4-50.1-179.3-179.30000111.6C231 A232 G237 L238 L306 V311 W315C231-V234 PolarHBondContact O-N 2.95Å; A232-V234 PolarHBondContact O-N 2.79Å; V234-G237 PolarHBondContact O-N 3Å; V234-L238 HydrophobicContact CG1-CD1 4.48Å; V234-L238 WeakPolarHBondContact O-CG 3.42Å; V234-L238 PolarHBondContact O-N 3.33Å; V234-L238 VanDerWaalsContact O-N 3.07Å; V234-L306 HydrophobicContact CG1-CD1 3.9Å; V234-V311 HydrophobicContact CG1-CG1 3.95Å; V234-W315 HydrophobicContact CB-CZ2 4.02Å; V234-W315 HydrophobicContact CG1-CZ2 4.3Å; V234-W315 HydrophobicContact CG2-CZ2 3.95Å
235I96.3Very high96.9Very high2 Ų235.2 Ų35.21%0.0119%0.19CC..Hα-helixtrans-71.6-37.8179.9-60.9177.9000110.5I113 E117 A232 G237 L238 S239 P296 V311 L312 W315I113-I235 HydrophobicContact CG2-CB 4.45Å; I113-I235 HydrophobicContact CG2-CG2 3.7Å; E117-I235 HydrophobicContact CG-CB 4.08Å; E117-I235 HydrophobicContact CG-CD1 3.94Å; E117-I235 HydrophobicContact CG-CG2 4.03Å; E117-I235 WeakPolarHBondContact OE2-CD1 3.35Å; A232-I235 PolarHBondContact O-N 3.46Å; I235-G237 VanDerWaalsContact C-N 3.34Å; I235-G237 PolarHBondContact O-N 3.33Å; I235-L238 PolarHBondContact O-N 2.98Å; I235-S239 PolarHBondContact O-N 2.87Å; I235-S239 PolarHBondContact O-OG 3.49Å; I235-P296 HydrophobicContact CG2-CG 4.23Å; I235-V311 HydrophobicContact CG1-CG1 4.2Å; I235-L312 HydrophobicContact CD1-CD2 4.17Å; I235-L312 HydrophobicContact CG2-CD2 4.38Å; I235-W315 HydrophobicContact CD1-CB 4.44Å; I235-W315 HydrophobicContact CD1-CG 4.06Å
236A97.5Very high96.8Very high7 Ų736.9 Ų36.96%0.05820%0.204CC..Hα-helixtrans-62.8-40174.400000112.4R110 I113 F114 A232 I233 S239R110-A236 VanDerWaalsContact CG-O 3.32Å; R110-A236 WeakPolarHBondContact CG-O 3.43Å; R110-A236 WeakPolarHBondContact O-CB 3.47Å; I113-A236 HydrophobicContact CG2-CB 4.47Å; F114-A236 HydrophobicContact CB-CB 3.71Å; A232-A236 WeakPolarHBondContact O-CB 3.48Å; A232-A236 PolarHBondContact O-N 3.38Å; I233-A236 PolarHBondContact O-N 2.62Å; A236-S239 WeakPolarHBondContact O-CB 3.27Å; A236-S239 PolarHBondContact O-N 2.79Å; A236-S239 VanDerWaalsContact O-N 3.11Å
237G97.2Very high96.6Very high6 Ų633.2 Ų33.26%0.06219%0.185CC..Hα-helixtrans-66-37.9176.100000112.4I233 V234 I235 S239 S300I233-G237 WeakPolarHBondContact O-CA 3.2Å; I233-G237 PolarHBondContact O-N 3.37Å; V234-G237 PolarHBondContact O-N 3Å; I235-G237 VanDerWaalsContact C-N 3.34Å; I235-G237 PolarHBondContact O-N 3.33Å; G237-S239 PolarHBondContact O-N 3.15Å; G237-S300 PolarHBondContact O-OG 2.93Å
238L97.4Very high96.4Very high2 Ų229.9 Ų29.91%0.0117%0.169CC..Hα-helixtrans-67.1-13.5171.5-75.6169.3000113.9V234 I235 P296 S297 S300 W302 A303 L306 I308 V311V234-L238 HydrophobicContact CG1-CD1 4.48Å; V234-L238 WeakPolarHBondContact O-CG 3.42Å; V234-L238 PolarHBondContact O-N 3.33Å; V234-L238 VanDerWaalsContact O-N 3.07Å; I235-L238 PolarHBondContact O-N 2.98Å; L238-P296 HydrophobicContact CB-CB 4.48Å; L238-P296 WeakPolarHBondContact O-CA 3.48Å; L238-S297 PolarHBondContact O-N 2.97Å; L238-S300 VanDerWaalsContact O-CB 3.3Å; L238-S300 WeakPolarHBondContact O-CB 3.48Å; L238-W302 HydrophobicContact CD2-CB 3.91Å; L238-W302 HydrophobicContact CG-CB 4.33Å; L238-A303 HydrophobicContact CD2-CB 4.34Å; L238-L306 HydrophobicContact CD1-CB 4.41Å; L238-L306 HydrophobicContact CD2-CB 4.01Å; L238-I308 HydrophobicContact CD1-CG1 4.46Å; L238-I308 HydrophobicContact CD2-CG1 4.02Å; L238-V311 HydrophobicContact CD1-CB 4.03Å; L238-V311 HydrophobicContact CD1-CG1 3.92Å; L238-V311 HydrophobicContact CD1-CG2 4.05Å
239S97.6Very high96.2Very high0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-89.6137.8-177.3-56.70000112.5R110 I113 I235 A236 G237 A295R110-S239 WeakPolarHBondContact CG-O 3.38Å; R110-S239 PolarHBondContact NE-O 3.45Å; I113-S239 WeakPolarHBondContact CG2-OG 3.28Å; I235-S239 PolarHBondContact O-N 2.87Å; I235-S239 PolarHBondContact O-OG 3.49Å; A236-S239 WeakPolarHBondContact O-CB 3.27Å; A236-S239 PolarHBondContact O-N 2.79Å; A236-S239 VanDerWaalsContact O-N 3.11Å; G237-S239 PolarHBondContact O-N 3.15Å; S239-A295 WeakPolarHBondContact CA-O 3.32Å
240N97.1Very high95.6Very high30 Ų3033 Ų3316%0.1619%0.185CC..EExtended strand (participates in β ladder)trans-142.6164.9174.7-154.8-0.8000110.4T106 A295 D299T106-N240 WeakPolarHBondContact CG2-OD1 3.5Å; T106-N240 PolarHBondContact OG1-OD1 2.72Å; N240-A295 PolarHBondContact N-O 3.49Å; N240-A295 VanDerWaalsContact N-O 3.09Å; N240-A295 PolarHBondContact O-N 2.97Å; N240-D299 PolarHBondContact ND2-O 2.81Å
241V96.8Very high95.2Very high30 Ų3034.8 Ų34.818%0.18219%0.189CC..EExtended strand (participates in β ladder)trans-88.9124.5164.3178.90000107.4W102 C109 A292 V293W102-V241 VanDerWaalsContact CD1-CG2 3.42Å; W102-V241 HydrophobicContact CG-CG2 4.34Å; C109-V241 HydrophobicContact CB-CG2 3.78Å; V241-A292 HydrophobicContact CG1-CB 4.14Å; V241-V293 WeakPolarHBondContact CA-O 3.29Å
242F95.9Very high94.9Very high45 Ų4536.7 Ų36.720%0.19720%0.2CC..EExtended strand (participates in β ladder)trans-140.2160.3179.667.3-81.1000110.5A244 A292 V293 A295 S297 D299F242-A244 HydrophobicContact CE2-CB 4.06Å; F242-A292 CarbonylContact O-C 3.28Å; F242-A292 VanDerWaalsContact O-CA 3.32Å; F242-A292 WeakPolarHBondContact O-CA 3.34Å; F242-V293 HydrophobicContact CD1-CG2 4.11Å; F242-V293 HydrophobicContact CD2-CG2 4.29Å; F242-V293 HydrophobicContact CE1-CG2 3.59Å; F242-V293 HydrophobicContact CE2-CG2 3.79Å; F242-V293 HydrophobicContact CG-CG2 4.44Å; F242-V293 HydrophobicContact CZ-CG2 3.41Å; F242-V293 VanDerWaalsContact CZ-CG2 3.41Å; F242-V293 PolarHBondContact N-O 2.91Å; F242-V293 PolarHBondContact O-N 2.8Å; F242-A295 HydrophobicContact CE1-CB 4.17Å; F242-S297 WeakPolarHBondContact CD1-OG 3.37Å; F242-D299 HydrophobicContact CB-CB 4.43Å; F242-D299 WeakPolarHBondContact CB-OD2 3.26Å
243Y96.2Very high94.5Very high117 Ų11736.7 Ų36.746%0.45920%0.2SC..EExtended strand (participates in β ladder)trans-88.2111.4177.3-53.9-35.4000108.6V245 A287 P289 A292Y243-V245 VanDerWaalsContact C-N 3.27Å; Y243-V245 PolarHBondContact O-N 3.02Å; Y243-A287 HydrophobicContact CD2-CB 3.71Å; Y243-A287 HydrophobicContact CG-CB 4.28Å; Y243-P289 HydrophobicContact CE1-CB 4.17Å; Y243-A292 HydrophobicContact CD1-CB 3.93Å; Y243-A292 HydrophobicContact CE1-CB 4.09Å
244A94.6Very high94.1Very high41 Ų4133.7 Ų33.734%0.33919%0.185SC..  trans-75.8-15.8-171.800000113.7L24 F242 S291 V293L24-A244 HydrophobicContact CD1-CB 4.35Å; L24-A244 HydrophobicContact CD2-CB 3.88Å; F242-A244 HydrophobicContact CE2-CB 4.06Å; A244-S291 PolarHBondContact N-O 3.16Å; A244-S291 VanDerWaalsContact N-O 3.17Å; A244-S291 PolarHBondContact N-OG 2.87Å; A244-S291 VanDerWaalsContact N-OG 3.11Å; A244-V293 HydrophobicContact CB-CG1 4.35Å; A244-V293 HydrophobicContact CB-CG2 3.89Å
245V95.9Very high93.7Very high5 Ų538.6 Ų38.63%0.0321%0.21CC..  trans-125.5130.6-173.5-177.70000110.4W19 I20 E23 L24 Y243 L288 S291W19-V245 HydrophobicContact CG-CG1 4.44Å; W19-V245 VanDerWaalsContact NE1-CG1 3.33Å; I20-V245 HydrophobicContact CG1-CB 4.49Å; I20-V245 HydrophobicContact CG1-CG1 4.45Å; E23-V245 HydrophobicContact CB-CG1 4.26Å; E23-V245 HydrophobicContact CB-CG2 3.71Å; E23-V245 HydrophobicContact CG-CG1 4Å; E23-V245 HydrophobicContact CG-CG2 4.34Å; L24-V245 HydrophobicContact CD1-CG2 3.97Å; L24-V245 HydrophobicContact CD2-CG2 4.07Å; L24-V245 HydrophobicContact CG-CG2 3.72Å; Y243-V245 VanDerWaalsContact C-N 3.27Å; Y243-V245 PolarHBondContact O-N 3.02Å; V245-L288 HydrophobicContact CG1-CD1 4.03Å; V245-L288 PolarHBondContact O-N 3.09Å; V245-S291 PolarHBondContact N-OG 3.36Å
246N95.7Very high93.3Very high90 Ų9042.4 Ų42.448%0.48123%0.231SC..BIsolated β-bridgetrans-105.3149.5169.2-63.7-25000110W19 E286 A287W19-N246 PolarHBondContact NE1-O 2.71Å; N246-E286 CarbonylContact C-O 3.6Å; N246-E286 WeakPolarHBondContact CA-O 3.22Å; N246-A287 VanDerWaalsContact OD1-CA 3.3Å; N246-A287 WeakPolarHBondContact OD1-CA 3.42Å; N246-A287 WeakPolarHBondContact OD1-CB 3.41Å
247L93.9Very high92.7Very high5 Ų543.2 Ų43.23%0.02624%0.235CC..  trans-62.6132174.5-83.3176.4000111.1K16 W282 T283 G285 E286 L288K16-L247 HydrophobicContact CG-CD2 4.07Å; L247-W282 HydrophobicContact CD2-CD2 3.98Å; L247-W282 HydrophobicContact CD2-CE3 4.05Å; L247-W282 HydrophobicContact CD2-CH2 3.75Å; L247-W282 HydrophobicContact CD2-CZ2 3.66Å; L247-W282 HydrophobicContact CD2-CZ3 3.93Å; L247-T283 WeakPolarHBondContact CB-O 3.48Å; L247-G285 PolarHBondContact O-N 3.33Å; L247-E286 HydrophobicContact CD1-CB 4.18Å; L247-E286 PolarHBondContact N-O 3.38Å; L247-L288 HydrophobicContact CD1-CD2 4.1Å; L247-L288 HydrophobicContact CD2-CD1 4.08Å; L247-L288 HydrophobicContact CD2-CD2 3.96Å; L247-L288 HydrophobicContact CD2-CG 4.34Å; L247-L288 HydrophobicContact CG-CD1 4.33Å; L247-L288 HydrophobicContact CG-CD2 3.7Å; L247-L288 HydrophobicContact CG-CG 4.08Å
248P93.6Very high92Very high14 Ų1443.9 Ų43.99%0.09124%0.238CC..  trans-85.8174.4175.940-37.6000110W19 T252 F253 W282W19-P248 HydrophobicContact CD2-CG 3.74Å; W19-P248 HydrophobicContact CE3-CG 4.09Å; W19-P248 HydrophobicContact CG-CG 4.27Å; W19-P248 HydrophobicContact CH2-CB 4.14Å; W19-P248 HydrophobicContact CH2-CG 4.1Å; W19-P248 HydrophobicContact CZ2-CB 3.74Å; W19-P248 HydrophobicContact CZ2-CG 3.73Å; W19-P248 HydrophobicContact CZ3-CG 4.26Å; P248-T252 HydrophobicContact CB-CG2 3.96Å; P248-F253 HydrophobicContact CG-CB 3.84Å; P248-F253 HydrophobicContact CG-CD2 4.47Å; P248-W282 HydrophobicContact CG-CZ2 4.11Å; P248-W282 PolarHBondContact O-NE1 3.39Å
249T91.2Very high91.1Very high64 Ų6450.3 Ų50.339%0.39328%0.278SS..  trans-64151.1161.765.20000109.7D251 T252 F253 P284T249-D251 PolarHBondContact O-N 2.82Å; T249-T252 WeakPolarHBondContact O-CB 3.29Å; T249-T252 PolarHBondContact O-N 3.43Å; T249-T252 WeakPolarHBondContact OG1-CB 3.33Å; T249-T252 PolarHBondContact OG1-N 2.93Å; T249-T252 PolarHBondContact OG1-OG1 3.47Å; T249-F253 PolarHBondContact O-N 2.93Å; T249-P284 HydrophobicContact CG2-CB 4.22Å; T249-P284 HydrophobicContact CG2-CG 4.37Å
250I86.7Confident90.1Very high29 Ų2953.4 Ų53.415%0.14929%0.294CS..Hα-helixtrans-58.8-37.8-179.7-62.7171.7000110.9T252 F253 I254 I267 L271 L276 W282I250-T252 VanDerWaalsContact C-N 3.34Å; I250-T252 PolarHBondContact O-N 3.38Å; I250-F253 WeakPolarHBondContact O-CB 3.44Å; I250-F253 PolarHBondContact O-N 3.15Å; I250-I254 HydrophobicContact CG2-CD1 3.81Å; I250-I254 HydrophobicContact CG2-CG1 4.29Å; I250-I254 WeakPolarHBondContact O-CG1 3.5Å; I250-I254 PolarHBondContact O-N 3.38Å; I250-I267 HydrophobicContact CG2-CG2 4.39Å; I250-L271 HydrophobicContact CD1-CD2 3.73Å; I250-L271 HydrophobicContact CG2-CD1 3.94Å; I250-L271 HydrophobicContact CG2-CD2 4.16Å; I250-L271 HydrophobicContact CG2-CG 4.36Å; I250-L276 HydrophobicContact CD1-CB 3.83Å; I250-W282 HydrophobicContact CG1-CG 4.26Å
251D86.8Confident89.1Confident116 Ų11659.5 Ų59.562%0.6232%0.322SS*.Hα-helixtrans-61.3-41.4174.7-61.3-36.8000112.4T249 N255T249-D251 PolarHBondContact O-N 2.82Å; D251-N255 WeakPolarHBondContact O-CB 3.3Å; D251-N255 PolarHBondContact O-N 2.83Å; D251-N255 PolarHBondContact O-ND2 3Å; D251-N255 VanDerWaalsContact O-ND2 3.13Å
252T90.5Very high88Confident57 Ų5764.3 Ų64.335%0.3534%0.337SS..Hα-helixtrans-68-39.4177.6-58.60000111P248 T249 I250 N256P248-T252 HydrophobicContact CB-CG2 3.96Å; T249-T252 WeakPolarHBondContact O-CB 3.29Å; T249-T252 PolarHBondContact O-N 3.43Å; T249-T252 WeakPolarHBondContact OG1-CB 3.33Å; T249-T252 PolarHBondContact OG1-N 2.93Å; T249-T252 PolarHBondContact OG1-OG1 3.47Å; I250-T252 VanDerWaalsContact C-N 3.34Å; I250-T252 PolarHBondContact O-N 3.38Å; T252-N256 WeakPolarHBondContact CG2-ND2 3.4Å; T252-N256 WeakPolarHBondContact O-CB 3.43Å; T252-N256 PolarHBondContact O-N 3.47Å; T252-N256 PolarHBondContact O-ND2 3.31Å
253F90.4Very high86.9Confident2 Ų264.9 Ų64.91%0.00934%0.34CS..Hα-helixtrans-57.6-58.9172.7178.6-99.1000110.1L15 M18 W19 P248 T249 I250 N255 N256 T257 I267 W282L15-F253 HydrophobicContact CB-CZ 4.18Å; L15-F253 HydrophobicContact CD2-CE1 3.82Å; L15-F253 HydrophobicContact CD2-CZ 3.82Å; L15-F253 WeakPolarHBondContact O-CE2 3.5Å; M18-F253 HydrophobicContact CB-CE2 4.49Å; M18-F253 HydrophobicContact CB-CZ 4.34Å; M18-F253 HydrophobicContact CG-CZ 4.32Å; M18-F253 HydrophobicContact SD-CZ 3.79Å; W19-F253 HydrophobicContact CB-CD2 3.96Å; W19-F253 HydrophobicContact CB-CE2 3.79Å; W19-F253 HydrophobicContact CD2-CD2 4.11Å; W19-F253 AromaticContact CE3-CD2 3.61Å; W19-F253 HydrophobicContact CE3-CD2 3.61Å; W19-F253 HydrophobicContact CE3-CE2 4.22Å; W19-F253 HydrophobicContact CG-CD2 4.28Å; W19-F253 HydrophobicContact CZ3-CD2 4.46Å; P248-F253 HydrophobicContact CG-CB 3.84Å; P248-F253 HydrophobicContact CG-CD2 4.47Å; T249-F253 PolarHBondContact O-N 2.93Å; I250-F253 WeakPolarHBondContact O-CB 3.44Å; I250-F253 PolarHBondContact O-N 3.15Å; F253-N255 VanDerWaalsContact C-N 3.31Å; F253-N255 PolarHBondContact O-N 3Å; F253-N256 PolarHBondContact O-N 3.48Å; F253-N256 VanDerWaalsContact O-N 3.09Å; F253-T257 HydrophobicContact CD2-CG2 4.34Å; F253-T257 HydrophobicContact CE2-CG2 4.1Å; F253-T257 PolarHBondContact O-N 2.71Å; F253-T257 PolarHBondContact O-OG1 3.45Å; F253-I267 HydrophobicContact CD1-CD1 4.13Å; F253-I267 HydrophobicContact CE1-CD1 3.63Å; F253-I267 HydrophobicContact CE1-CG1 4.48Å; F253-W282 HydrophobicContact CB-CZ2 4.14Å; F253-W282 AromaticContact CD2-CH2 3.84Å; F253-W282 HydrophobicContact CD2-CH2 3.84Å; F253-W282 HydrophobicContact CD2-CZ2 4.1Å; F253-W282 HydrophobicContact CE2-CH2 4.11Å; F253-W282 HydrophobicContact CG-CH2 4.13Å; F253-W282 HydrophobicContact CG-CZ2 4.1Å
254I87.5Confident86.1Confident20 Ų2060.8 Ų60.810%0.10333%0.328CS..Hα-helixtrans-54-48-178-67.4168.7000111.2I250 N256 C258 T264 I267 L271I250-I254 HydrophobicContact CG2-CD1 3.81Å; I250-I254 HydrophobicContact CG2-CG1 4.29Å; I250-I254 WeakPolarHBondContact O-CG1 3.5Å; I250-I254 PolarHBondContact O-N 3.38Å; I254-N256 VanDerWaalsContact C-N 3.29Å; I254-N256 PolarHBondContact O-N 3.31Å; I254-C258 HydrophobicContact CG2-CB 4.46Å; I254-C258 VanDerWaalsContact O-CB 3.26Å; I254-C258 WeakPolarHBondContact O-CB 3.4Å; I254-C258 PolarHBondContact O-N 3.21Å; I254-C258 VanDerWaalsContact O-N 3.09Å; I254-T264 HydrophobicContact CG2-CG2 3.98Å; I254-I267 HydrophobicContact CD1-CG2 3.79Å; I254-I267 HydrophobicContact CG1-CB 4.45Å; I254-I267 HydrophobicContact CG1-CD1 4.19Å; I254-I267 HydrophobicContact CG1-CG2 3.87Å; I254-L271 HydrophobicContact CD1-CD1 4.25Å
255N88.5Confident85.1Confident128 Ų12860.8 Ų60.868%0.68433%0.328SS*.Hα-helixtrans-64.3-29.9-177.2-74-25.6000114D251 F253D251-N255 WeakPolarHBondContact O-CB 3.3Å; D251-N255 PolarHBondContact O-N 2.83Å; D251-N255 PolarHBondContact O-ND2 3Å; D251-N255 VanDerWaalsContact O-ND2 3.13Å; F253-N255 VanDerWaalsContact C-N 3.31Å; F253-N255 PolarHBondContact O-N 3Å
256N88.3Confident84Confident83 Ų8361.8 Ų61.844%0.44433%0.334SS..Hα-helixtrans-97.9-35.6-174.7-69.7-26000113.1W19 H22 T252 F253 I254W19-N256 HydrophobicContact CH2-CB 4.49Å; W19-N256 HydrophobicContact CZ3-CB 4.06Å; H22-N256 PolarHBondContact NE2-O 3Å; T252-N256 WeakPolarHBondContact CG2-ND2 3.4Å; T252-N256 WeakPolarHBondContact O-CB 3.43Å; T252-N256 PolarHBondContact O-N 3.47Å; T252-N256 PolarHBondContact O-ND2 3.31Å; F253-N256 PolarHBondContact O-N 3.48Å; F253-N256 VanDerWaalsContact O-N 3.09Å; I254-N256 VanDerWaalsContact C-N 3.29Å; I254-N256 PolarHBondContact O-N 3.31Å
257T85.8Confident83Confident24 Ų2457.9 Ų57.915%0.14731%0.313CS..Hα-helixtrans-97.6-28-176.647.10000114.4M18 W19 H22 F253 T259M18-T257 HydrophobicContact CG-CG2 4.5Å; W19-T257 HydrophobicContact CE3-CG2 3.84Å; W19-T257 HydrophobicContact CZ3-CG2 4.15Å; H22-T257 HydrophobicContact CB-CG2 3.66Å; F253-T257 HydrophobicContact CD2-CG2 4.34Å; F253-T257 HydrophobicContact CE2-CG2 4.1Å; F253-T257 PolarHBondContact O-N 2.71Å; F253-T257 PolarHBondContact O-OG1 3.45Å; T257-T259 PolarHBondContact O-N 2.96Å
258C82.4Confident82.1Confident19 Ų1962.5 Ų62.513%0.12833%0.334CS..  trans-91.6107-174.7-58.50000111.3I254 H263 I267I254-C258 HydrophobicContact CG2-CB 4.46Å; I254-C258 VanDerWaalsContact O-CB 3.26Å; I254-C258 WeakPolarHBondContact O-CB 3.4Å; I254-C258 PolarHBondContact O-N 3.21Å; I254-C258 VanDerWaalsContact O-N 3.09Å; C258-H263 HydrophobicContact CB-CB 4.11Å; C258-I267 WeakPolarHBondContact SG-CD1 3.14Å
259T76.6Confident81Confident137 Ų13767.9 Ų67.984%0.8436%0.356SS*.  trans-88.8-12.217855.60000113.9T257T257-T259 PolarHBondContact O-N 2.96Å
260D76.7Confident80Confident65 Ų6566.2 Ų66.235%0.34834%0.343SS..SBendtrans-130.8160.5-178.668.542.8000113Y262 H263 T264D260-Y262 PolarHBondContact O-N 3.43Å; D260-Y262 WeakPolarHBondContact OD1-CA 3.16Å; D260-Y262 WeakPolarHBondContact OD1-CB 3.37Å; D260-Y262 PolarHBondContact OD1-N 3.3Å; D260-H263 IonicContact OD1-CE1 2.83Å; D260-H263 IonicContact OD1-CG 3.31Å; D260-H263 PolarHBondContact OD1-N 3.36Å; D260-H263 IonicContact OD1-ND1 2.79Å; D260-H263 PolarHBondContact OD1-ND1 3.42Å; D260-H263 IonicContact OD2-CE1 3.56Å; D260-H263 PolarHBondContact OD2-CE1 3.47Å; D260-H263 IonicContact OD2-ND1 3.93Å; D260-H263 PolarHBondContact OD2-ND1 2.64Å; D260-T264 PolarHBondContact O-N 3.39Å; D260-T264 PolarHBondContact O-OG1 2.93Å
261H76.7Confident79.3Confident158 Ų15866.6 Ų66.673%0.73135%0.346SS*.Hα-helixtrans-66.1-22.3179.4-165.3-61.3000112A265H261-A265 VanDerWaalsContact O-CB 3.28Å; H261-A265 WeakPolarHBondContact O-CB 3.16Å; H261-A265 PolarHBondContact O-N 3.28Å
262Y73.9Confident78.2Confident131 Ų13166.3 Ų66.351%0.51435%0.348SS..Hα-helixtrans-71-52.4-178.5176.3-96.4000111.1D260 T264 A265 V266D260-Y262 PolarHBondContact O-N 3.43Å; D260-Y262 WeakPolarHBondContact OD1-CA 3.16Å; D260-Y262 WeakPolarHBondContact OD1-CB 3.37Å; D260-Y262 PolarHBondContact OD1-N 3.3Å; Y262-T264 VanDerWaalsContact C-N 3.28Å; Y262-T264 PolarHBondContact O-N 3.27Å; Y262-A265 PolarHBondContact O-N 2.97Å; Y262-V266 HydrophobicContact CD1-CG2 4.42Å; Y262-V266 HydrophobicContact CE1-CG2 4.04Å; Y262-V266 HydrophobicContact CE2-CG2 4.36Å; Y262-V266 WeakPolarHBondContact O-CG2 3.39Å; Y262-V266 PolarHBondContact O-N 3.37Å
263H72.7Confident76.9Confident57 Ų5766.7 Ų66.726%0.26435%0.353SS..Hα-helixtrans-61.2-39.7177.1-69.188000111.4C258 D260 V266 I267C258-H263 HydrophobicContact CB-CB 4.11Å; D260-H263 IonicContact OD1-CE1 2.83Å; D260-H263 IonicContact OD1-CG 3.31Å; D260-H263 PolarHBondContact OD1-N 3.36Å; D260-H263 IonicContact OD1-ND1 2.79Å; D260-H263 PolarHBondContact OD1-ND1 3.42Å; D260-H263 IonicContact OD2-CE1 3.56Å; D260-H263 PolarHBondContact OD2-CE1 3.47Å; D260-H263 IonicContact OD2-ND1 3.93Å; D260-H263 PolarHBondContact OD2-ND1 2.64Å; H263-V266 PolarHBondContact O-N 3.49Å; H263-I267 WeakPolarHBondContact O-CD1 3.36Å; H263-I267 WeakPolarHBondContact O-CG1 3.46Å; H263-I267 PolarHBondContact O-N 3.2Å
264T78.6Confident75.8Confident32 Ų3272 Ų7220%0.19638%0.381CS..Hα-helixtrans-59.4-48.1175.1-53.20000111.4I254 D260 Y262 V266 I267 Q268I254-T264 HydrophobicContact CG2-CG2 3.98Å; D260-T264 PolarHBondContact O-N 3.39Å; D260-T264 PolarHBondContact O-OG1 2.93Å; Y262-T264 VanDerWaalsContact C-N 3.28Å; Y262-T264 PolarHBondContact O-N 3.27Å; T264-V266 PolarHBondContact O-N 3.17Å; T264-I267 PolarHBondContact O-N 2.93Å; T264-Q268 WeakPolarHBondContact O-CB 3.24Å; T264-Q268 VanDerWaalsContact O-CG 3.29Å; T264-Q268 WeakPolarHBondContact O-CG 3.24Å; T264-Q268 PolarHBondContact O-N 3.25Å
265A74.2Confident75.2Confident40 Ų4071.5 Ų71.533%0.33138%0.379SS..Hα-helixtrans-66.4-36.3179.900000112.8H261 Y262 Q268 F269H261-A265 VanDerWaalsContact O-CB 3.28Å; H261-A265 WeakPolarHBondContact O-CB 3.16Å; H261-A265 PolarHBondContact O-N 3.28Å; Y262-A265 PolarHBondContact O-N 2.97Å; A265-Q268 PolarHBondContact O-N 2.84Å; A265-F269 WeakPolarHBondContact O-CB 3.46Å; A265-F269 PolarHBondContact O-N 2.87Å
266V73.4Confident74.5Confident27 Ų2765.6 Ų65.616%0.16435%0.348CS..Hα-helixtrans-63.1-48.2175.6172.10000110.7Y262 H263 T264 Q268 F269 Y270Y262-V266 HydrophobicContact CD1-CG2 4.42Å; Y262-V266 HydrophobicContact CE1-CG2 4.04Å; Y262-V266 HydrophobicContact CE2-CG2 4.36Å; Y262-V266 WeakPolarHBondContact O-CG2 3.39Å; Y262-V266 PolarHBondContact O-N 3.37Å; H263-V266 PolarHBondContact O-N 3.49Å; T264-V266 PolarHBondContact O-N 3.17Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 3.26Å; V266-F269 WeakPolarHBondContact O-CB 3.49Å; V266-F269 PolarHBondContact O-N 3.14Å; V266-Y270 HydrophobicContact CG1-CD2 4Å; V266-Y270 HydrophobicContact CG1-CE2 3.83Å; V266-Y270 WeakPolarHBondContact O-CD2 3.41Å; V266-Y270 PolarHBondContact O-N 3.36Å
267I74.2Confident73.5Confident8 Ų867 Ų674%0.04136%0.355CS..Hα-helixtrans-64.6-40.8179.1-64.9158.8000110.7L15 I250 F253 I254 C258 H263 T264 F269 Y270 L271 L276L15-I267 HydrophobicContact CD2-CD1 4.5Å; L15-I267 HydrophobicContact CD2-CG1 4.2Å; I250-I267 HydrophobicContact CG2-CG2 4.39Å; F253-I267 HydrophobicContact CD1-CD1 4.13Å; F253-I267 HydrophobicContact CE1-CD1 3.63Å; F253-I267 HydrophobicContact CE1-CG1 4.48Å; I254-I267 HydrophobicContact CD1-CG2 3.79Å; I254-I267 HydrophobicContact CG1-CB 4.45Å; I254-I267 HydrophobicContact CG1-CD1 4.19Å; I254-I267 HydrophobicContact CG1-CG2 3.87Å; C258-I267 WeakPolarHBondContact SG-CD1 3.14Å; H263-I267 WeakPolarHBondContact O-CD1 3.36Å; H263-I267 WeakPolarHBondContact O-CG1 3.46Å; H263-I267 PolarHBondContact O-N 3.2Å; T264-I267 PolarHBondContact O-N 2.93Å; I267-F269 VanDerWaalsContact C-N 3.3Å; I267-F269 PolarHBondContact O-N 3.42Å; I267-Y270 PolarHBondContact O-N 3.04Å; I267-L271 HydrophobicContact CG2-CD1 4.18Å; I267-L271 PolarHBondContact O-N 2.95Å; I267-L276 HydrophobicContact CG2-CD1 3.97Å
268Q74.7Confident72.7Confident101 Ų10169.2 Ų69.247%0.47237%0.366SS..Hα-helixtrans-60.5-37.5174.5-75.8177.4-16.300112.8T264 A265 V266 L271 T272T264-Q268 WeakPolarHBondContact O-CB 3.24Å; T264-Q268 VanDerWaalsContact O-CG 3.29Å; T264-Q268 WeakPolarHBondContact O-CG 3.24Å; T264-Q268 PolarHBondContact O-N 3.25Å; A265-Q268 PolarHBondContact O-N 2.84Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 3.26Å; Q268-L271 WeakPolarHBondContact O-CB 3.48Å; Q268-L271 PolarHBondContact O-N 3.07Å; Q268-T272 PolarHBondContact O-N 3.48Å; Q268-T272 VanDerWaalsContact O-N 3.1Å
269F71.5Confident71.6Confident127 Ų12772.8 Ų72.856%0.55739%0.391SS*.Hα-helixtrans-63.3-41.9174.9179.4-96.1000112.2A265 V266 I267 T272 S273A265-F269 WeakPolarHBondContact O-CB 3.46Å; A265-F269 PolarHBondContact O-N 2.87Å; V266-F269 WeakPolarHBondContact O-CB 3.49Å; V266-F269 PolarHBondContact O-N 3.14Å; I267-F269 VanDerWaalsContact C-N 3.3Å; I267-F269 PolarHBondContact O-N 3.42Å; F269-T272 PolarHBondContact O-N 2.75Å; F269-T272 PolarHBondContact O-OG1 3.24Å; F269-S273 PolarHBondContact O-N 3.46Å; F269-S273 PolarHBondContact O-OG 3.02Å; F269-S273 VanDerWaalsContact O-OG 3.1Å
270Y70.3Confident71.4Confident29 Ų2974.1 Ų74.111%0.11439%0.388CS..Hα-helixtrans-75.9-26.6178-73.3-71.6000114V3 L11 V266 I267 T272 S273 C275V3-Y270 HydrophobicContact CG1-CE2 4.3Å; V3-Y270 WeakPolarHBondContact CG1-OH 3.29Å; L11-Y270 HydrophobicContact CD1-CD2 4.08Å; L11-Y270 HydrophobicContact CD1-CE2 3.81Å; L11-Y270 HydrophobicContact CD2-CD1 3.34Å; L11-Y270 HydrophobicContact CD2-CD2 3.3Å; L11-Y270 HydrophobicContact CD2-CE1 3.67Å; L11-Y270 HydrophobicContact CD2-CE2 3.63Å; L11-Y270 HydrophobicContact CD2-CG 3.13Å; L11-Y270 HydrophobicContact CG-CD2 4.32Å; L11-Y270 HydrophobicContact CG-CE2 4.36Å; L11-Y270 HydrophobicContact CG-CG 4.49Å; V266-Y270 HydrophobicContact CG1-CD2 4Å; V266-Y270 HydrophobicContact CG1-CE2 3.83Å; V266-Y270 WeakPolarHBondContact O-CD2 3.41Å; V266-Y270 PolarHBondContact O-N 3.36Å; I267-Y270 PolarHBondContact O-N 3.04Å; Y270-T272 VanDerWaalsContact C-N 3.31Å; Y270-S273 PolarHBondContact O-N 3.25Å; Y270-C275 PolarHBondContact O-N 3.34Å
271L71.3Confident71.5Confident38 Ų3873.1 Ų73.120%0.19938%0.381CS..Hα-helixtrans-57.8-44.4163.8-85.3157.2000110.8I250 I254 I267 Q268 S273 D274 L276 L277I250-L271 HydrophobicContact CD1-CD2 3.73Å; I250-L271 HydrophobicContact CG2-CD1 3.94Å; I250-L271 HydrophobicContact CG2-CD2 4.16Å; I250-L271 HydrophobicContact CG2-CG 4.36Å; I254-L271 HydrophobicContact CD1-CD1 4.25Å; I267-L271 HydrophobicContact CG2-CD1 4.18Å; I267-L271 PolarHBondContact O-N 2.95Å; Q268-L271 WeakPolarHBondContact O-CB 3.48Å; Q268-L271 PolarHBondContact O-N 3.07Å; L271-S273 PolarHBondContact O-N 3.32Å; L271-D274 PolarHBondContact O-N 3.42Å; L271-L276 HydrophobicContact CD2-CB 4.32Å; L271-L276 HydrophobicContact CG-CD1 4.1Å; L271-L277 HydrophobicContact CD2-CD1 3.87Å; L271-L277 HydrophobicContact CD2-CG 4.23Å; L271-L277 WeakPolarHBondContact O-CD1 3.49Å
272T63.4Low71.9Confident110 Ų11066.1 Ų66.168%0.67535%0.349SS*.Hα-helixtrans-70.8-14.6178.357.90000114.6Q268 F269 Y270 D274Q268-T272 PolarHBondContact O-N 3.48Å; Q268-T272 VanDerWaalsContact O-N 3.1Å; F269-T272 PolarHBondContact O-N 2.75Å; F269-T272 PolarHBondContact O-OG1 3.24Å; Y270-T272 VanDerWaalsContact C-N 3.31Å; T272-D274 VanDerWaalsContact C-N 3.33Å
273S64.7Low72.7Confident64 Ų6462.2 Ų62.245%0.44834%0.338SS..THydrogen-bonded Turntrans-93.613.5179-55.40000113F269 Y270 L271 C275F269-S273 PolarHBondContact O-N 3.46Å; F269-S273 PolarHBondContact O-OG 3.02Å; F269-S273 VanDerWaalsContact O-OG 3.1Å; Y270-S273 PolarHBondContact O-N 3.25Å; L271-S273 PolarHBondContact O-N 3.32Å; S273-C275 PolarHBondContact O-N 3.25Å
274D67.3Low73.5Confident114 Ų11463.3 Ų63.361%0.6135%0.351SS*.THydrogen-bonded Turntrans56.19.4-174.4-67.9-33.9000115.5L271 T272 N278L271-D274 PolarHBondContact O-N 3.42Å; T272-D274 VanDerWaalsContact C-N 3.33Å; D274-N278 WeakPolarHBondContact O-CB 2.97Å; D274-N278 PolarHBondContact O-N 2.81Å
275C75Confident74.2Confident9 Ų964.3 Ų64.36%0.06137%0.367CS..THydrogen-bonded Turntrans-67.1-48.6-177.2175.90000111.8C8 Y270 S273C8-C275 VanDerWaalsContact CA-SG 3.52Å; C8-C275 HydrophobicContact CB-CB 4.07Å; C8-C275 WeakPolarHBondContact CB-SG 3.21Å; C8-C275 WeakPolarHBondContact SG-CA 3.35Å; C8-C275 WeakPolarHBondContact SG-CB 3.45Å; C8-C275 CovalentContact SG-SG 2.02Å; C8-C275 PolarHBondContact SG-SG 3.26Å; Y270-C275 PolarHBondContact O-N 3.34Å; S273-C275 PolarHBondContact O-N 3.25Å
276L72.2Confident75.1Confident5 Ų566 Ų663%0.02637%0.368CS..THydrogen-bonded Turntrans-84.5-24.8-179.9-69.7169.1000113.5V12 L15 I250 I267 L271 W282V12-L276 HydrophobicContact CG2-CD2 4.04Å; L15-L276 HydrophobicContact CD1-CD1 4.19Å; L15-L276 HydrophobicContact CD1-CD2 3.85Å; I250-L276 HydrophobicContact CD1-CB 3.83Å; I267-L276 HydrophobicContact CG2-CD1 3.97Å; L271-L276 HydrophobicContact CD2-CB 4.32Å; L271-L276 HydrophobicContact CG-CD1 4.1Å; L276-W282 HydrophobicContact CD2-CB 4.37Å; L276-W282 HydrophobicContact CD2-CD2 4.43Å; L276-W282 HydrophobicContact CD2-CE3 4.06Å
277L68.7Low76.1Confident113 Ų11366.4 Ų66.459%0.59238%0.375SS*.THydrogen-bonded Turntrans-84.6-14.1179.1-89145000112.8L271 S279L271-L277 HydrophobicContact CD2-CD1 3.87Å; L271-L277 HydrophobicContact CD2-CG 4.23Å; L271-L277 WeakPolarHBondContact O-CD1 3.49Å; L277-S279 PolarHBondContact O-N 3.21Å
278N68.7Low77.1Confident70 Ų7066.3 Ų66.337%0.37437%0.374SS..SBendtrans-62.5109.2167.3-1695.9000108.2D274 E280 M281D274-N278 WeakPolarHBondContact O-CB 2.97Å; D274-N278 PolarHBondContact O-N 2.81Å; N278-E280 PolarHBondContact O-N 2.83Å; N278-M281 PolarHBondContact O-N 3.28Å
279S58.7Low78Confident93 Ų9364.9 Ų64.965%0.6537%0.374SS*.THydrogen-bonded Turntrans-59.8-7-169.352.80000114.5L277 T283L277-S279 PolarHBondContact O-N 3.21Å; S279-T283 WeakPolarHBondContact O-CG2 3.08Å
280E72.4Confident79.1Confident166 Ų16663.6 Ų63.678%0.77637%0.372SS*.THydrogen-bonded Turntrans-88.2-18.1175.1-62.3-171.3163.700113.6N278N278-E280 PolarHBondContact O-N 2.83Å
281M78.5Confident80.3Confident43 Ų4362.2 Ų62.221%0.21237%0.367CS..THydrogen-bonded Turntrans-99.5-38.7-169.8-67.5-173.7176.500114.3C8 N9 V12 K16 N278C8-M281 PolarHBondContact SG-SD 2.98Å; N9-M281 WeakPolarHBondContact OD1-CE 3.2Å; V12-M281 HydrophobicContact CG1-CB 4.4Å; V12-M281 WeakPolarHBondContact CG1-O 3.43Å; V12-M281 HydrophobicContact CG2-CB 4.21Å; V12-M281 HydrophobicContact CG2-SD 4.48Å; K16-M281 WeakPolarHBondContact CE-O 3.44Å; K16-M281 PolarHBondContact NZ-O 3.4Å; K16-M281 VanDerWaalsContact NZ-O 3.11Å; N278-M281 PolarHBondContact O-N 3.28Å
282W86.6Confident81.5Confident12 Ų1260.7 Ų60.75%0.04536%0.36CS..  trans-131.296.1178.4-168.8-76.1000110.8L15 K16 L247 P248 I250 F253 L276L15-W282 HydrophobicContact CB-CH2 4.29Å; L15-W282 HydrophobicContact CB-CZ3 3.7Å; K16-W282 HydrophobicContact CG-CE3 4.47Å; K16-W282 HydrophobicContact CG-CZ3 4.11Å; L247-W282 HydrophobicContact CD2-CD2 3.98Å; L247-W282 HydrophobicContact CD2-CE3 4.05Å; L247-W282 HydrophobicContact CD2-CH2 3.75Å; L247-W282 HydrophobicContact CD2-CZ2 3.66Å; L247-W282 HydrophobicContact CD2-CZ3 3.93Å; P248-W282 HydrophobicContact CG-CZ2 4.11Å; P248-W282 PolarHBondContact O-NE1 3.39Å; I250-W282 HydrophobicContact CG1-CG 4.26Å; F253-W282 HydrophobicContact CB-CZ2 4.14Å; F253-W282 AromaticContact CD2-CH2 3.84Å; F253-W282 HydrophobicContact CD2-CH2 3.84Å; F253-W282 HydrophobicContact CD2-CZ2 4.1Å; F253-W282 HydrophobicContact CE2-CH2 4.11Å; F253-W282 HydrophobicContact CG-CH2 4.13Å; F253-W282 HydrophobicContact CG-CZ2 4.1Å; L276-W282 HydrophobicContact CD2-CB 4.37Å; L276-W282 HydrophobicContact CD2-CD2 4.43Å; L276-W282 HydrophobicContact CD2-CE3 4.06Å
283T89.1Confident83Confident49 Ų4957 Ų5730%0.30134%0.337SS..  trans-107.6110.2178.865.90000111.6L247 S279 G285 E286L247-T283 WeakPolarHBondContact CB-O 3.48Å; S279-T283 WeakPolarHBondContact O-CG2 3.08Å; T283-G285 PolarHBondContact O-N 3.35Å; T283-E286 VanDerWaalsContact O-CB 3.25Å; T283-E286 WeakPolarHBondContact O-CB 3.45Å; T283-E286 PolarHBondContact O-N 3.05Å; T283-E286 VanDerWaalsContact O-N 3.11Å; T283-E286 WeakPolarHBondContact OG1-CB 3.3Å; T283-E286 PolarHBondContact OG1-OE2 3.39Å
284P91.1Very high84.5Confident80 Ų8054.8 Ų54.852%0.51932%0.321SS..THydrogen-bonded Turntrans-57.3132178.5-25.635.3000111.7T249T249-P284 HydrophobicContact CG2-CB 4.22Å; T249-P284 HydrophobicContact CG2-CG 4.37Å
285G92.3Very high85.8Confident53 Ų5350.9 Ų50.955%0.54631%0.305SS..THydrogen-bonded Turntrans92.6-11.4-176.600000114.9L247 T283 A287L247-G285 PolarHBondContact O-N 3.33Å; T283-G285 PolarHBondContact O-N 3.35Å; G285-A287 PolarHBondContact O-N 2.98Å
286E93Very high86.8Confident75 Ų7552.1 Ų52.135%0.3531%0.313SS..  trans-67.2131.1173.5179.9-171.2177.100110.9N246 L247 T283N246-E286 CarbonylContact C-O 3.6Å; N246-E286 WeakPolarHBondContact CA-O 3.22Å; L247-E286 HydrophobicContact CD1-CB 4.18Å; L247-E286 PolarHBondContact N-O 3.38Å; T283-E286 VanDerWaalsContact O-CB 3.25Å; T283-E286 WeakPolarHBondContact O-CB 3.45Å; T283-E286 PolarHBondContact O-N 3.05Å; T283-E286 VanDerWaalsContact O-N 3.11Å; T283-E286 WeakPolarHBondContact OG1-CB 3.3Å; T283-E286 PolarHBondContact OG1-OE2 3.39Å
287A94.6Very high87.9Confident36 Ų3652.3 Ų52.330%0.29832%0.315SS..BIsolated β-bridgetrans-77.7130.9179.800000110.8Y243 N246 G285 P289Y243-A287 HydrophobicContact CD2-CB 3.71Å; Y243-A287 HydrophobicContact CG-CB 4.28Å; N246-A287 VanDerWaalsContact OD1-CA 3.3Å; N246-A287 WeakPolarHBondContact OD1-CA 3.42Å; N246-A287 WeakPolarHBondContact OD1-CB 3.41Å; G285-A287 PolarHBondContact O-N 2.98Å; A287-P289 WeakPolarHBondContact O-CD 3.46Å
288L94.9Very high89.1Confident5 Ų553.2 Ų53.23%0.02632%0.32CS..  trans-87.1115-175.1-68.1178000111.4K16 I20 V245 L247 D290 S291K16-L288 HydrophobicContact CB-CD1 4.48Å; K16-L288 HydrophobicContact CB-CD2 4.3Å; K16-L288 HydrophobicContact CD-CD2 3.82Å; K16-L288 HydrophobicContact CG-CD2 3.91Å; I20-L288 HydrophobicContact CD1-CB 4.08Å; I20-L288 HydrophobicContact CD1-CD1 3.96Å; I20-L288 HydrophobicContact CG1-CB 4.32Å; I20-L288 HydrophobicContact CG1-CD1 3.6Å; V245-L288 HydrophobicContact CG1-CD1 4.03Å; V245-L288 PolarHBondContact O-N 3.09Å; L247-L288 HydrophobicContact CD1-CD2 4.1Å; L247-L288 HydrophobicContact CD2-CD1 4.08Å; L247-L288 HydrophobicContact CD2-CD2 3.96Å; L247-L288 HydrophobicContact CD2-CG 4.34Å; L247-L288 HydrophobicContact CG-CD1 4.33Å; L247-L288 HydrophobicContact CG-CD2 3.7Å; L247-L288 HydrophobicContact CG-CG 4.08Å; L288-D290 VanDerWaalsContact C-N 3.27Å; L288-D290 PolarHBondContact O-N 3.48Å; L288-S291 WeakPolarHBondContact O-CB 3.33Å; L288-S291 PolarHBondContact O-N 2.95Å; L288-S291 PolarHBondContact O-OG 2.99Å
289P94.5Very high90.2Very high72 Ų7254.8 Ų54.847%0.46833%0.328SS..G310 helixtrans-61.2-31-176.6-25.836.5000114.5Y243 A287 S291 A292Y243-P289 HydrophobicContact CE1-CB 4.17Å; A287-P289 WeakPolarHBondContact O-CD 3.46Å; P289-S291 PolarHBondContact O-N 3.34Å; P289-A292 WeakPolarHBondContact O-CB 3.41Å; P289-A292 PolarHBondContact O-N 3.49Å; P289-A292 VanDerWaalsContact O-N 3.12Å
290D94.6Very high91.9Very high99 Ų9950.6 Ų50.653%0.52930%0.299SS..G310 helixtrans-69.4-8.9177.3-72.4-44.3000113.7I20 Y100 P101 L288 A292I20-D290 HydrophobicContact CD1-CB 3.71Å; Y100-D290 WeakPolarHBondContact CD2-O 3.33Å; P101-D290 WeakPolarHBondContact CB-O 3.4Å; L288-D290 VanDerWaalsContact C-N 3.27Å; L288-D290 PolarHBondContact O-N 3.48Å; D290-A292 VanDerWaalsContact C-N 3.33Å
291S95.6Very high93Very high0 Ų049.9 Ų49.90%030%0.296CS..G310 helixtrans-91.412.1172.376.90000113.5A244 V245 L288 P289 V293A244-S291 PolarHBondContact N-O 3.16Å; A244-S291 VanDerWaalsContact N-O 3.17Å; A244-S291 PolarHBondContact N-OG 2.87Å; A244-S291 VanDerWaalsContact N-OG 3.11Å; V245-S291 PolarHBondContact N-OG 3.36Å; L288-S291 WeakPolarHBondContact O-CB 3.33Å; L288-S291 PolarHBondContact O-N 2.95Å; L288-S291 PolarHBondContact O-OG 2.99Å; P289-S291 PolarHBondContact O-N 3.34Å; S291-V293 PolarHBondContact O-N 2.92Å
292A96.5Very high93.9Very high6 Ų652.3 Ų52.35%0.0530%0.303CS..EExtended strand (participates in β ladder)trans-59.5128.3-177.400000112.2P101 W102 V241 F242 Y243 P289 D290P101-A292 CarbonylContact C-O 3.56Å; P101-A292 VanDerWaalsContact CA-O 3.28Å; P101-A292 WeakPolarHBondContact CA-O 3.48Å; P101-A292 HydrophobicContact CB-CB 3.86Å; W102-A292 PolarHBondContact N-O 3.35Å; V241-A292 HydrophobicContact CG1-CB 4.14Å; F242-A292 CarbonylContact O-C 3.28Å; F242-A292 VanDerWaalsContact O-CA 3.32Å; F242-A292 WeakPolarHBondContact O-CA 3.34Å; Y243-A292 HydrophobicContact CD1-CB 3.93Å; Y243-A292 HydrophobicContact CE1-CB 4.09Å; P289-A292 WeakPolarHBondContact O-CB 3.41Å; P289-A292 PolarHBondContact O-N 3.49Å; P289-A292 VanDerWaalsContact O-N 3.12Å; D290-A292 VanDerWaalsContact C-N 3.33Å
293V95.1Very high94.3Very high34 Ų3452.8 Ų52.821%0.20631%0.309CS..EExtended strand (participates in β ladder)trans-130.9158.3177.1-640000111.1V241 F242 A244 S291V241-V293 WeakPolarHBondContact CA-O 3.29Å; F242-V293 HydrophobicContact CD1-CG2 4.11Å; F242-V293 HydrophobicContact CD2-CG2 4.29Å; F242-V293 HydrophobicContact CE1-CG2 3.59Å; F242-V293 HydrophobicContact CE2-CG2 3.79Å; F242-V293 HydrophobicContact CG-CG2 4.44Å; F242-V293 HydrophobicContact CZ-CG2 3.41Å; F242-V293 VanDerWaalsContact CZ-CG2 3.41Å; F242-V293 PolarHBondContact N-O 2.91Å; F242-V293 PolarHBondContact O-N 2.8Å; A244-V293 HydrophobicContact CB-CG1 4.35Å; A244-V293 HydrophobicContact CB-CG2 3.89Å; S291-V293 PolarHBondContact O-N 2.92Å
294C95.2Very high94.6Very high16 Ų1654.6 Ų54.611%0.10833%0.329CS..EExtended strand (participates in β ladder)trans-110.8110.1175.2166.70000110.2W102 C109W102-C294 HydrophobicContact CB-CB 4.4Å; W102-C294 HydrophobicContact CD2-CB 3.59Å; W102-C294 HydrophobicContact CE3-CB 3.88Å; W102-C294 HydrophobicContact CG-CB 3.83Å; W102-C294 HydrophobicContact CZ2-CB 4.48Å; W102-C294 HydrophobicContact CZ3-CB 4.44Å; C109-C294 WeakPolarHBondContact CA-SG 3.48Å; C109-C294 HydrophobicContact CB-CB 3.74Å; C109-C294 WeakPolarHBondContact CB-SG 3.4Å; C109-C294 WeakPolarHBondContact SG-CA 3.36Å; C109-C294 WeakPolarHBondContact SG-CB 3.3Å; C109-C294 CovalentContact SG-SG 2.02Å; C109-C294 PolarHBondContact SG-SG 2.95Å
295A94.9Very high94.8Very high32 Ų3260.4 Ų60.426%0.26434%0.342SS..EExtended strand (participates in β ladder)trans-160.9169.1177.200000111.3S239 N240 F242 S297S239-A295 WeakPolarHBondContact CA-O 3.32Å; N240-A295 PolarHBondContact N-O 3.49Å; N240-A295 VanDerWaalsContact N-O 3.09Å; N240-A295 PolarHBondContact O-N 2.97Å; F242-A295 HydrophobicContact CE1-CB 4.17Å; A295-S297 PolarHBondContact O-N 3.15Å
296P95.5Very high95Very high36 Ų3660.9 Ų60.923%0.23433%0.332CS..EExtended strand (participates in β ladder)trans-50.9124.1161.9-27.536.7000110.9I235 L238 I308I235-P296 HydrophobicContact CG2-CG 4.23Å; L238-P296 HydrophobicContact CB-CB 4.48Å; L238-P296 WeakPolarHBondContact O-CA 3.48Å; P296-I308 HydrophobicContact CB-CD1 4.23Å; P296-I308 HydrophobicContact CB-CG1 4.36Å; P296-I308 HydrophobicContact CB-CG2 3.73Å
297S95Very high95.1Very high9 Ų960.2 Ų60.26%0.06334%0.336CS..  trans-139.9148.6-173.4179.80000112.1L238 F242 A295 D299 S300L238-S297 PolarHBondContact O-N 2.97Å; F242-S297 WeakPolarHBondContact CD1-OG 3.37Å; A295-S297 PolarHBondContact O-N 3.15Å; S297-D299 PolarHBondContact O-N 3.06Å; S297-D299 PolarHBondContact OG-N 3Å; S297-D299 VanDerWaalsContact OG-N 3.15Å; S297-S300 WeakPolarHBondContact O-CB 3.34Å; S297-S300 PolarHBondContact O-N 2.92Å
298N94.2Very high95.1Very high132 Ų13259.5 Ų59.571%0.70633%0.327SS*.THydrogen-bonded Turntrans-64.1-16.7172-70.9-17.6000112.3S300N298-S300 PolarHBondContact O-N 2.81Å
299D92.9Very high95.1Very high102 Ų10261.7 Ų61.755%0.54534%0.341SS..THydrogen-bonded Turntrans-76.5-2.5173.2-62.2-10.4000112.8N240 F242 S297N240-D299 PolarHBondContact ND2-O 2.81Å; F242-D299 HydrophobicContact CB-CB 4.43Å; F242-D299 WeakPolarHBondContact CB-OD2 3.26Å; S297-D299 PolarHBondContact O-N 3.06Å; S297-D299 PolarHBondContact OG-N 3Å; S297-D299 VanDerWaalsContact OG-N 3.15Å
300S94.8Very high95.1Very high5 Ų562.3 Ų62.34%0.03534%0.343CS..SBendtrans-78136.81691770000110.7G237 L238 S297 N298 W302 A303G237-S300 PolarHBondContact O-OG 2.93Å; L238-S300 VanDerWaalsContact O-CB 3.3Å; L238-S300 WeakPolarHBondContact O-CB 3.48Å; S297-S300 WeakPolarHBondContact O-CB 3.34Å; S297-S300 PolarHBondContact O-N 2.92Å; N298-S300 PolarHBondContact O-N 2.81Å; S300-W302 PolarHBondContact O-N 2.8Å; S300-W302 PolarHBondContact OG-N 2.91Å; S300-W302 VanDerWaalsContact OG-N 3.14Å; S300-A303 VanDerWaalsContact O-CB 3.29Å; S300-A303 WeakPolarHBondContact O-CB 3.38Å; S300-A303 PolarHBondContact O-N 2.99Å
301E94.6Very high95.1Very high152 Ų15258 Ų5871%0.7132%0.321SS*.G310 helixtrans-52.4-27.8169.6-62.2177.5163.900112.9A303E301-A303 VanDerWaalsContact C-N 3.34Å
302W96.4Very high95.1Very high94 Ų9459.3 Ų59.336%0.35633%0.327SS..G310 helixtrans-77.3-23-178.7-69.337.6000112.1I233 L238 S300 A304 Y305 L306I233-W302 HydrophobicContact CG2-CH2 3.6Å; I233-W302 HydrophobicContact CG2-CZ3 4.09Å; L238-W302 HydrophobicContact CD2-CB 3.91Å; L238-W302 HydrophobicContact CG-CB 4.33Å; S300-W302 PolarHBondContact O-N 2.8Å; S300-W302 PolarHBondContact OG-N 2.91Å; S300-W302 VanDerWaalsContact OG-N 3.14Å; W302-A304 PolarHBondContact O-N 3.46Å; W302-Y305 PolarHBondContact O-N 2.97Å; W302-L306 HydrophobicContact CE3-CD1 4.33Å; W302-L306 PolarHBondContact O-N 2.87Å
303A95.5Very high94.9Very high22 Ų2262 Ų6218%0.18234%0.339CS..G310 helixtrans-67.3-19179.600000112.5L238 S300 E301 Y305L238-A303 HydrophobicContact CD2-CB 4.34Å; S300-A303 VanDerWaalsContact O-CB 3.29Å; S300-A303 WeakPolarHBondContact O-CB 3.38Å; S300-A303 PolarHBondContact O-N 2.99Å; E301-A303 VanDerWaalsContact C-N 3.34Å; A303-Y305 PolarHBondContact O-N 3.19Å
304A95Very high94.9Very high87 Ų8764.9 Ų64.972%0.71935%0.353SS*.G310 helixtrans-65.2-24.3170.900000113.3W302W302-A304 PolarHBondContact O-N 3.46Å
305Y95.8Very high94.8Very high202 Ų20266 Ų6679%0.79235%0.354SS*.THydrogen-bonded Turntrans-113-25-175.6-53.3-80.9000113.1W302 A303W302-Y305 PolarHBondContact O-N 2.97Å; A303-Y305 PolarHBondContact O-N 3.19Å
306L95.7Very high94.8Very high62 Ų6264.4 Ų64.433%0.32534%0.342SS..SBendtrans-130.7117.6-171-70.5171.1000110V234 L238 W302 I308 V311V234-L306 HydrophobicContact CG1-CD1 3.9Å; L238-L306 HydrophobicContact CD1-CB 4.41Å; L238-L306 HydrophobicContact CD2-CB 4.01Å; W302-L306 HydrophobicContact CE3-CD1 4.33Å; W302-L306 PolarHBondContact O-N 2.87Å; L306-I308 PolarHBondContact O-N 3.17Å; L306-V311 HydrophobicContact CB-CG2 4.11Å; L306-V311 HydrophobicContact CD2-CG2 4.23Å
307S95.8Very high94.7Very high62 Ų6268 Ų6843%0.43435%0.354SS..  trans-70.2116.6173.5176.20000110.4P309 V310 V311S307-P309 WeakPolarHBondContact OG-CD 3.34Å; S307-P309 WeakPolarHBondContact OG-CG 3.5Å; S307-V310 PolarHBondContact O-N 3.4Å; S307-V310 WeakPolarHBondContact OG-CG2 3.38Å; S307-V311 WeakPolarHBondContact O-CG2 3.22Å; S307-V311 PolarHBondContact O-N 3.43Å
308I94.1Very high94.6Very high21 Ų2171.4 Ų71.411%0.10837%0.371CS..Hα-helixtrans-49.5-55.1178.4-64.7167.7000112.4L238 P296 L306 V310 V311 L312L238-I308 HydrophobicContact CD1-CG1 4.46Å; L238-I308 HydrophobicContact CD2-CG1 4.02Å; P296-I308 HydrophobicContact CB-CD1 4.23Å; P296-I308 HydrophobicContact CB-CG1 4.36Å; P296-I308 HydrophobicContact CB-CG2 3.73Å; L306-I308 PolarHBondContact O-N 3.17Å; I308-V310 VanDerWaalsContact C-N 3.3Å; I308-V310 PolarHBondContact O-N 3.48Å; I308-V311 PolarHBondContact O-N 2.84Å; I308-L312 HydrophobicContact CG2-CD1 3.83Å; I308-L312 HydrophobicContact CG2-CG 4.26Å; I308-L312 VanDerWaalsContact O-CG 3.32Å; I308-L312 WeakPolarHBondContact O-CG 3.47Å; I308-L312 PolarHBondContact O-N 3.38Å
309P95Very high94.5Very high50 Ų5066.5 Ų66.533%0.32534%0.343SS..Hα-helixtrans-61.4-39.1-178.422.8-34000112.4S307 L312 Q313 S402S307-P309 WeakPolarHBondContact OG-CD 3.34Å; S307-P309 WeakPolarHBondContact OG-CG 3.5Å; P309-L312 PolarHBondContact O-N 3.26Å; P309-Q313 WeakPolarHBondContact O-CB 3.49Å; P309-Q313 VanDerWaalsContact O-CG 3.23Å; P309-Q313 WeakPolarHBondContact O-CG 3.32Å; P309-Q313 PolarHBondContact O-N 3.48Å; P309-S402 VanDerWaalsContact CB-O 3.28Å; P309-S402 WeakPolarHBondContact CB-O 3.36Å
310V94.9Very high94.5Very high85 Ų8561.9 Ų61.952%0.51532%0.318SS..Hα-helixtrans-63.7-45177.91770000111S307 I308 Q313 L314S307-V310 PolarHBondContact O-N 3.4Å; S307-V310 WeakPolarHBondContact OG-CG2 3.38Å; I308-V310 VanDerWaalsContact C-N 3.3Å; I308-V310 PolarHBondContact O-N 3.48Å; V310-Q313 PolarHBondContact O-N 3.5Å; V310-L314 VanDerWaalsContact O-CB 3.24Å; V310-L314 WeakPolarHBondContact O-CB 3.03Å; V310-L314 PolarHBondContact O-N 3.49Å
311V95.4Very high94.4Very high9 Ų965.4 Ų65.46%0.05533%0.333CS..Hα-helixtrans-63.3-47178.6171.30000110.9V234 I235 L238 L306 S307 I308 Q313 L314 W315V234-V311 HydrophobicContact CG1-CG1 3.95Å; I235-V311 HydrophobicContact CG1-CG1 4.2Å; L238-V311 HydrophobicContact CD1-CB 4.03Å; L238-V311 HydrophobicContact CD1-CG1 3.92Å; L238-V311 HydrophobicContact CD1-CG2 4.05Å; L306-V311 HydrophobicContact CB-CG2 4.11Å; L306-V311 HydrophobicContact CD2-CG2 4.23Å; S307-V311 WeakPolarHBondContact O-CG2 3.22Å; S307-V311 PolarHBondContact O-N 3.43Å; I308-V311 PolarHBondContact O-N 2.84Å; V311-Q313 VanDerWaalsContact C-N 3.33Å; V311-Q313 PolarHBondContact O-N 3.18Å; V311-L314 PolarHBondContact O-N 3.15Å; V311-W315 HydrophobicContact CG1-CD2 4.44Å; V311-W315 WeakPolarHBondContact O-CB 3.23Å; V311-W315 PolarHBondContact O-N 3.16Å
312L94.2Very high94.3Very high28 Ų2861.2 Ų61.215%0.14732%0.318CS..Hα-helixtrans-62.7-39.4179.9-65.3178.3000112I235 I308 P309 T316 R398I235-L312 HydrophobicContact CD1-CD2 4.17Å; I235-L312 HydrophobicContact CG2-CD2 4.38Å; I308-L312 HydrophobicContact CG2-CD1 3.83Å; I308-L312 HydrophobicContact CG2-CG 4.26Å; I308-L312 VanDerWaalsContact O-CG 3.32Å; I308-L312 WeakPolarHBondContact O-CG 3.47Å; I308-L312 PolarHBondContact O-N 3.38Å; P309-L312 PolarHBondContact O-N 3.26Å; L312-T316 PolarHBondContact O-N 3.24Å; L312-T316 PolarHBondContact O-OG1 3.16Å; L312-R398 HydrophobicContact CB-CG 4.08Å
313Q93.7Very high94.2Very high63 Ų6357.2 Ų57.229%0.29430%0.304SS..Hα-helixtrans-65.9-52.6174.4-71.8174.812.400111.1P309 V310 V311 W315 T316 F317 S402P309-Q313 WeakPolarHBondContact O-CB 3.49Å; P309-Q313 VanDerWaalsContact O-CG 3.23Å; P309-Q313 WeakPolarHBondContact O-CG 3.32Å; P309-Q313 PolarHBondContact O-N 3.48Å; V310-Q313 PolarHBondContact O-N 3.5Å; V311-Q313 VanDerWaalsContact C-N 3.33Å; V311-Q313 PolarHBondContact O-N 3.18Å; Q313-W315 VanDerWaalsContact C-N 3.29Å; Q313-W315 PolarHBondContact O-N 3.45Å; Q313-T316 WeakPolarHBondContact O-CA 3.11Å; Q313-T316 WeakPolarHBondContact O-CB 3.32Å; Q313-T316 PolarHBondContact O-N 2.99Å; Q313-F317 WeakPolarHBondContact O-CD2 3.27Å; Q313-F317 PolarHBondContact O-N 3.36Å; Q313-S402 WeakPolarHBondContact CG-OG 3.41Å
314L94.4Very high94Very high93 Ų9359.3 Ų59.349%0.48731%0.311SS..Hα-helixtrans-56.1-43.9-179.3-17961.6000111.6V310 V311 T316 F317 L318V310-L314 VanDerWaalsContact O-CB 3.24Å; V310-L314 WeakPolarHBondContact O-CB 3.03Å; V310-L314 PolarHBondContact O-N 3.49Å; V311-L314 PolarHBondContact O-N 3.15Å; L314-T316 VanDerWaalsContact C-N 3.3Å; L314-T316 PolarHBondContact O-N 2.95Å; L314-F317 PolarHBondContact O-N 3.4Å; L314-L318 WeakPolarHBondContact O-CB 3.33Å; L314-L318 PolarHBondContact O-N 3.35Å
315W93.8Very high94Very high39 Ų3959.7 Ų59.715%0.14830%0.304CS..Hα-helixtrans-65.4-35.8178.1-95.7-139.8000111.4C231 V234 I235 V311 Q313 F319C231-W315 HydrophobicContact CB-CZ2 4.15Å; C231-W315 PolarHBondContact O-NE1 3.36Å; V234-W315 HydrophobicContact CB-CZ2 4.02Å; V234-W315 HydrophobicContact CG1-CZ2 4.3Å; V234-W315 HydrophobicContact CG2-CZ2 3.95Å; I235-W315 HydrophobicContact CD1-CB 4.44Å; I235-W315 HydrophobicContact CD1-CG 4.06Å; V311-W315 HydrophobicContact CG1-CD2 4.44Å; V311-W315 WeakPolarHBondContact O-CB 3.23Å; V311-W315 PolarHBondContact O-N 3.16Å; Q313-W315 VanDerWaalsContact C-N 3.29Å; Q313-W315 PolarHBondContact O-N 3.45Å; W315-F319 HydrophobicContact CB-CD2 4.26Å; W315-F319 HydrophobicContact CD2-CD2 4.22Å; W315-F319 AromaticContact CD2-CE2 3.94Å; W315-F319 HydrophobicContact CD2-CE2 3.94Å; W315-F319 AromaticContact CE2-CE2 3.95Å; W315-F319 HydrophobicContact CE3-CE2 4.41Å; W315-F319 AromaticContact CG-CD2 3.93Å; W315-F319 HydrophobicContact CG-CD2 3.93Å; W315-F319 HydrophobicContact CG-CE2 4.11Å; W315-F319 HydrophobicContact CZ2-CE2 4.44Å; W315-F319 WeakPolarHBondContact O-CA 3.2Å; W315-F319 VanDerWaalsContact O-CB 3.31Å; W315-F319 WeakPolarHBondContact O-CB 3.34Å; W315-F319 PolarHBondContact O-N 3.08Å
316T94Very high93.9Very high0 Ų053.4 Ų53.40%028%0.284CS..Hα-helixtrans-65-45.9174.9-53.40000111.7L312 Q313 L314 F320 F321 H395 R398 V399L312-T316 PolarHBondContact O-N 3.24Å; L312-T316 PolarHBondContact O-OG1 3.16Å; Q313-T316 WeakPolarHBondContact O-CA 3.11Å; Q313-T316 WeakPolarHBondContact O-CB 3.32Å; Q313-T316 PolarHBondContact O-N 2.99Å; L314-T316 VanDerWaalsContact C-N 3.3Å; L314-T316 PolarHBondContact O-N 2.95Å; T316-F320 WeakPolarHBondContact O-CA 3.35Å; T316-F320 VanDerWaalsContact O-CB 3.25Å; T316-F320 WeakPolarHBondContact O-CB 3.26Å; T316-F320 PolarHBondContact O-N 3.3Å; T316-F321 HydrophobicContact CG2-CD2 3.99Å; T316-F321 HydrophobicContact CG2-CE2 3.71Å; T316-F321 PolarHBondContact O-N 3.13Å; T316-H395 HydrophobicContact CG2-CB 3.68Å; T316-R398 VanDerWaalsContact CA-NH2 3.32Å; T316-R398 VanDerWaalsContact OG1-CZ 3.26Å; T316-R398 PolarHBondContact OG1-NE 3.02Å; T316-R398 PolarHBondContact OG1-NH2 2.92Å; T316-V399 HydrophobicContact CG2-CG2 3.72Å
317F93.5Very high93.7Very high111 Ų11150.6 Ų50.649%0.48727%0.269SS..Iπ-helixtrans-68.6-42.4178.8-75.5-75.5000112.8Q313 L314 F321 T322Q313-F317 WeakPolarHBondContact O-CD2 3.27Å; Q313-F317 PolarHBondContact O-N 3.36Å; L314-F317 PolarHBondContact O-N 3.4Å; F317-F321 HydrophobicContact CD1-CB 4.32Å; F317-F321 AromaticContact CD1-CD2 3.69Å; F317-F321 HydrophobicContact CD1-CD2 3.69Å; F317-F321 HydrophobicContact CD1-CE2 4.42Å; F317-F321 HydrophobicContact CD1-CG 4.3Å; F317-F321 AromaticContact CE1-CD2 3.92Å; F317-F321 HydrophobicContact CE1-CD2 3.92Å; F317-F321 HydrophobicContact CE1-CE2 4.23Å; F317-F321 HydrophobicContact CG-CD2 4.28Å; F317-T322 WeakPolarHBondContact O-CB 3.33Å; F317-T322 PolarHBondContact O-N 2.91Å; F317-T322 PolarHBondContact O-OG1 2.97Å
318L93.2Very high93.5Very high80 Ų8050.7 Ų50.742%0.41927%0.27SS..Iπ-helixtrans-74.2-40.6-176.3-174.960.5000112.6L314 P323L314-L318 WeakPolarHBondContact O-CB 3.33Å; L314-L318 PolarHBondContact O-N 3.35Å; L318-P323 WeakPolarHBondContact O-CD 3.38Å
319F91.4Very high93.5Very high30 Ų3053.6 Ų53.613%0.13229%0.288CS..Iπ-helixtrans-110.61.9-171.2-60.1-60.2000114.8L121 I124 C231 W315L121-F319 HydrophobicContact CD1-CB 3.73Å; L121-F319 HydrophobicContact CD1-CD1 3.3Å; L121-F319 HydrophobicContact CD1-CD2 4.14Å; L121-F319 HydrophobicContact CD1-CE1 3.87Å; L121-F319 HydrophobicContact CD1-CG 3.46Å; L121-F319 VanDerWaalsContact CD1-CG 3.46Å; L121-F319 HydrophobicContact CD1-CZ 4.5Å; I124-F319 WeakPolarHBondContact CD1-O 3.4Å; C231-F319 HydrophobicContact CB-CE2 4.04Å; C231-F319 HydrophobicContact CB-CZ 4.15Å; C231-F319 WeakPolarHBondContact SG-CZ 3.28Å; W315-F319 HydrophobicContact CB-CD2 4.26Å; W315-F319 HydrophobicContact CD2-CD2 4.22Å; W315-F319 AromaticContact CD2-CE2 3.94Å; W315-F319 HydrophobicContact CD2-CE2 3.94Å; W315-F319 AromaticContact CE2-CE2 3.95Å; W315-F319 HydrophobicContact CE3-CE2 4.41Å; W315-F319 AromaticContact CG-CD2 3.93Å; W315-F319 HydrophobicContact CG-CD2 3.93Å; W315-F319 HydrophobicContact CG-CE2 4.11Å; W315-F319 HydrophobicContact CZ2-CE2 4.44Å; W315-F319 WeakPolarHBondContact O-CA 3.2Å; W315-F319 VanDerWaalsContact O-CB 3.31Å; W315-F319 WeakPolarHBondContact O-CB 3.34Å; W315-F319 PolarHBondContact O-N 3.08Å
320F92.7Very high93.4Very high4 Ų452.1 Ų52.12%0.01828%0.277CS..Iπ-helixtrans-124.8-62.1170-179.7-105.3000111.7T316 M324 F388 W391 A392 H395T316-F320 WeakPolarHBondContact O-CA 3.35Å; T316-F320 VanDerWaalsContact O-CB 3.25Å; T316-F320 WeakPolarHBondContact O-CB 3.26Å; T316-F320 PolarHBondContact O-N 3.3Å; F320-M324 HydrophobicContact CE1-SD 4.43Å; F320-M324 VanDerWaalsContact O-CB 3.26Å; F320-M324 WeakPolarHBondContact O-CB 3.14Å; F320-M324 PolarHBondContact O-N 3.46Å; F320-F388 AromaticContact CE2-CD1 3.81Å; F320-F388 HydrophobicContact CE2-CD1 3.81Å; F320-F388 HydrophobicContact CZ-CD1 4.16Å; F320-W391 HydrophobicContact CD2-CB 4.18Å; F320-W391 HydrophobicContact CE2-CB 3.62Å; F320-A392 HydrophobicContact CE1-CB 4.37Å; F320-A392 HydrophobicContact CZ-CB 3.83Å; F320-H395 HydrophobicContact CD1-CB 3.95Å; F320-H395 AromaticContact CD1-CD2 3.83Å; F320-H395 AromaticContact CD1-CG 3.93Å; F320-H395 AromaticContact CD2-CD2 3.19Å; F320-H395 WeakPolarHBondContact CD2-CD2 3.4Å; F320-H395 AromaticContact CD2-NE2 3.58Å; F320-H395 HydrophobicContact CE1-CB 4.28Å; F320-H395 AromaticContact CE2-CD2 3.74Å; F320-H395 HydrophobicContact CG-CB 4.23Å; F320-H395 AromaticContact CG-CD2 3.24Å; F320-H395 WeakPolarHBondContact CG-CD2 3.35Å; F320-H395 AromaticContact CG-CG 3.69Å; F320-H395 AromaticContact CG-NE2 3.71Å
321F92.7Very high93.2Very high79 Ų7948.8 Ų48.835%0.34626%0.256SS..Iπ-helixtrans-66.9-41.9-175.6-70.9-67000113.2T316 F317 M324 V325T316-F321 HydrophobicContact CG2-CD2 3.99Å; T316-F321 HydrophobicContact CG2-CE2 3.71Å; T316-F321 PolarHBondContact O-N 3.13Å; F317-F321 HydrophobicContact CD1-CB 4.32Å; F317-F321 AromaticContact CD1-CD2 3.69Å; F317-F321 HydrophobicContact CD1-CD2 3.69Å; F317-F321 HydrophobicContact CD1-CE2 4.42Å; F317-F321 HydrophobicContact CD1-CG 4.3Å; F317-F321 AromaticContact CE1-CD2 3.92Å; F317-F321 HydrophobicContact CE1-CD2 3.92Å; F317-F321 HydrophobicContact CE1-CE2 4.23Å; F317-F321 HydrophobicContact CG-CD2 4.28Å; F321-M324 WeakPolarHBondContact O-CB 3.39Å; F321-M324 PolarHBondContact O-N 3.42Å; F321-V325 WeakPolarHBondContact O-CG2 3.35Å; F321-V325 PolarHBondContact O-N 3.49Å
322T93.6Very high92.9Very high65 Ų6550 Ų5040%0.39927%0.269SS..Hα-helixtrans-62.6-52.4179.1-62.40000111.8F317 M324 V325 I326F317-T322 WeakPolarHBondContact O-CB 3.33Å; F317-T322 PolarHBondContact O-N 2.91Å; F317-T322 PolarHBondContact O-OG1 2.97Å; T322-M324 VanDerWaalsContact C-N 3.29Å; T322-M324 PolarHBondContact O-N 3.26Å; T322-V325 PolarHBondContact O-N 3.4Å; T322-I326 HydrophobicContact CG2-CD1 3.89Å; T322-I326 WeakPolarHBondContact O-CG1 3.13Å; T322-I326 PolarHBondContact O-N 3.15Å
323P93.4Very high92.8Very high9 Ų952 Ų526%0.05828%0.28CS..Hα-helixtrans-55-41.1169.3-31.338000113.2I124 L318 V325 I326 M327I124-P323 HydrophobicContact CD1-CB 3.57Å; I124-P323 HydrophobicContact CD1-CG 3.89Å; I124-P323 HydrophobicContact CG1-CB 3.86Å; I124-P323 HydrophobicContact CG1-CG 4.29Å; L318-P323 WeakPolarHBondContact O-CD 3.38Å; P323-V325 PolarHBondContact O-N 2.64Å; P323-I326 PolarHBondContact O-N 2.88Å; P323-M327 WeakPolarHBondContact O-CB 3.05Å; P323-M327 WeakPolarHBondContact O-CG 3.23Å; P323-M327 PolarHBondContact O-N 3.14Å
324M92.4Very high92.6Very high67 Ų6749 Ų4933%0.3327%0.266SS..Hα-helixtrans-57.8-46.8178.2-175.6-175.9173.500113.1F320 F321 T322 S328 F388F320-M324 HydrophobicContact CE1-SD 4.43Å; F320-M324 VanDerWaalsContact O-CB 3.26Å; F320-M324 WeakPolarHBondContact O-CB 3.14Å; F320-M324 PolarHBondContact O-N 3.46Å; F321-M324 WeakPolarHBondContact O-CB 3.39Å; F321-M324 PolarHBondContact O-N 3.42Å; T322-M324 VanDerWaalsContact C-N 3.29Å; T322-M324 PolarHBondContact O-N 3.26Å; M324-S328 VanDerWaalsContact O-CB 3.27Å; M324-S328 WeakPolarHBondContact O-CB 3.4Å; M324-S328 PolarHBondContact O-N 2.84Å; M324-S328 PolarHBondContact O-OG 3.48Å; M324-F388 HydrophobicContact CB-CD1 3.97Å; M324-F388 HydrophobicContact CB-CE1 3.52Å; M324-F388 HydrophobicContact CB-CE2 4.22Å; M324-F388 HydrophobicContact CB-CZ 3.72Å; M324-F388 HydrophobicContact CG-CD1 3.87Å; M324-F388 HydrophobicContact CG-CD2 3.95Å; M324-F388 HydrophobicContact CG-CE1 3.83Å; M324-F388 HydrophobicContact CG-CE2 3.84Å; M324-F388 HydrophobicContact CG-CG 3.99Å; M324-F388 HydrophobicContact CG-CZ 3.86Å; M324-F388 HydrophobicContact SD-CD1 4.36Å; M324-F388 HydrophobicContact SD-CG 4.42Å
325V93.5Very high92.2Very high94 Ų9447.1 Ų47.157%0.5726%0.264SS*.Hα-helixtrans-64.4-49.9176.6174.70000110.7F321 T322 P323 M327 S328 V329F321-V325 WeakPolarHBondContact O-CG2 3.35Å; F321-V325 PolarHBondContact O-N 3.49Å; T322-V325 PolarHBondContact O-N 3.4Å; P323-V325 PolarHBondContact O-N 2.64Å; V325-M327 VanDerWaalsContact C-N 3.32Å; V325-M327 PolarHBondContact O-N 3.03Å; V325-S328 PolarHBondContact O-N 2.99Å; V325-V329 WeakPolarHBondContact O-CG2 2.95Å; V325-V329 PolarHBondContact O-N 3.35Å
326I93.9Very high91.8Very high71 Ų7149.5 Ų49.536%0.36428%0.279SS..Hα-helixtrans-55.5-50.1179.4-68.8168.5000110.4T128 T322 P323 V329 L330T128-I326 HydrophobicContact CG2-CG2 4.4Å; T322-I326 HydrophobicContact CG2-CD1 3.89Å; T322-I326 WeakPolarHBondContact O-CG1 3.13Å; T322-I326 PolarHBondContact O-N 3.15Å; P323-I326 PolarHBondContact O-N 2.88Å; I326-V329 PolarHBondContact O-N 3.34Å; I326-L330 HydrophobicContact CG2-CD1 3.75Å; I326-L330 HydrophobicContact CG2-CG 4.28Å; I326-L330 WeakPolarHBondContact O-CG 3.25Å; I326-L330 PolarHBondContact O-N 3.46Å
327M92.5Very high91.4Very high3 Ų353 Ų532%0.01530%0.295CS..Hα-helixtrans-62.5-47.2-177.7-67.9-76.3-92.900111.1L127 T128 S131 P323 V325 V329 L330 Y331 V384 F388L127-M327 VanDerWaalsContact C-CE 3.43Å; L127-M327 HydrophobicContact CB-CE 3.81Å; L127-M327 WeakPolarHBondContact O-CE 3.33Å; T128-M327 VanDerWaalsContact CA-SD 3.56Å; S131-M327 WeakPolarHBondContact CB-SD 3.5Å; S131-M327 WeakPolarHBondContact OG-CE 3.4Å; S131-M327 PolarHBondContact OG-SD 2.65Å; P323-M327 WeakPolarHBondContact O-CB 3.05Å; P323-M327 WeakPolarHBondContact O-CG 3.23Å; P323-M327 PolarHBondContact O-N 3.14Å; V325-M327 VanDerWaalsContact C-N 3.32Å; V325-M327 PolarHBondContact O-N 3.03Å; M327-V329 VanDerWaalsContact C-N 3.33Å; M327-V329 PolarHBondContact O-N 2.99Å; M327-L330 PolarHBondContact O-N 3.43Å; M327-Y331 HydrophobicContact CE-CE2 4.2Å; M327-Y331 WeakPolarHBondContact O-CD2 3.42Å; M327-Y331 PolarHBondContact O-N 2.99Å; M327-Y331 HydrophobicContact SD-CE2 4.23Å; M327-V384 HydrophobicContact CB-CG1 4.19Å; M327-V384 HydrophobicContact CE-CG1 4.32Å; M327-V384 HydrophobicContact CE-CG2 3.74Å; M327-F388 HydrophobicContact CB-CE2 4.26Å; M327-F388 HydrophobicContact CB-CZ 4.08Å; M327-F388 HydrophobicContact CG-CZ 4.35Å
328S91.4Very high90.8Very high64 Ų6448.5 Ų48.545%0.44828%0.276SS..Hα-helixtrans-58.3-44.8178.6-59.90000111.8M324 V325 G332M324-S328 VanDerWaalsContact O-CB 3.27Å; M324-S328 WeakPolarHBondContact O-CB 3.4Å; M324-S328 PolarHBondContact O-N 2.84Å; M324-S328 PolarHBondContact O-OG 3.48Å; V325-S328 PolarHBondContact O-N 2.99Å; S328-G332 PolarHBondContact O-N 3.04Å
329V93.7Very high90.2Very high82 Ų8247.3 Ų47.350%0.49728%0.275SS..Hα-helixtrans-62.9-48.5175.71730000111V325 I326 M327 Y331 G332 L333V325-V329 WeakPolarHBondContact O-CG2 2.95Å; V325-V329 PolarHBondContact O-N 3.35Å; I326-V329 PolarHBondContact O-N 3.34Å; M327-V329 VanDerWaalsContact C-N 3.33Å; M327-V329 PolarHBondContact O-N 2.99Å; V329-Y331 PolarHBondContact O-N 3.25Å; V329-G332 PolarHBondContact O-N 3.11Å; V329-L333 HydrophobicContact CG1-CD1 3.97Å; V329-L333 HydrophobicContact CG1-CG 4.36Å; V329-L333 VanDerWaalsContact O-CG 3.29Å; V329-L333 WeakPolarHBondContact O-CG 3.45Å; V329-L333 PolarHBondContact O-N 2.83Å
330L93.7Very high89.6Confident19 Ų1951.2 Ų51.210%0.09929%0.293CS..Hα-helixtrans-60.1-44.3-179.3-68.7174.4000112V132 Y135 I326 M327 L333 M334V132-L330 HydrophobicContact CB-CD1 4.45Å; V132-L330 HydrophobicContact CG2-CD1 3.63Å; Y135-L330 HydrophobicContact CD1-CD2 3.9Å; Y135-L330 HydrophobicContact CD2-CD2 3.96Å; Y135-L330 HydrophobicContact CE1-CD2 4.44Å; Y135-L330 HydrophobicContact CE2-CD2 4.49Å; Y135-L330 HydrophobicContact CG-CD2 3.64Å; I326-L330 HydrophobicContact CG2-CD1 3.75Å; I326-L330 HydrophobicContact CG2-CG 4.28Å; I326-L330 WeakPolarHBondContact O-CG 3.25Å; I326-L330 PolarHBondContact O-N 3.46Å; M327-L330 PolarHBondContact O-N 3.43Å; L330-L333 PolarHBondContact O-N 3.48Å; L330-M334 WeakPolarHBondContact O-CB 3.49Å; L330-M334 WeakPolarHBondContact O-CG 3.49Å; L330-M334 PolarHBondContact O-N 3.39Å
331Y90.4Very high88.5Confident15 Ų1553.2 Ų53.26%0.05931%0.307CS..Hα-helixtrans-69.1-37.8177.7-79.1-67.4000112.8S131 M327 V329 M334 A335 L380 V381 V384S131-Y331 WeakPolarHBondContact CB-OH 3.1Å; S131-Y331 WeakPolarHBondContact OG-CE2 3.19Å; S131-Y331 VanDerWaalsContact OG-CZ 3.31Å; S131-Y331 PolarHBondContact OG-OH 3.37Å; M327-Y331 HydrophobicContact CE-CE2 4.2Å; M327-Y331 WeakPolarHBondContact O-CD2 3.42Å; M327-Y331 PolarHBondContact O-N 2.99Å; M327-Y331 HydrophobicContact SD-CE2 4.23Å; V329-Y331 PolarHBondContact O-N 3.25Å; Y331-M334 HydrophobicContact CD1-CE 4.22Å; Y331-M334 HydrophobicContact CD1-SD 4.12Å; Y331-M334 HydrophobicContact CE1-CE 3.96Å; Y331-M334 HydrophobicContact CE1-SD 4.15Å; Y331-M334 PolarHBondContact O-N 3.22Å; Y331-A335 WeakPolarHBondContact O-CB 3.01Å; Y331-A335 PolarHBondContact O-N 3Å; Y331-L380 HydrophobicContact CD1-CB 4.42Å; Y331-L380 HydrophobicContact CE1-CB 3.36Å; Y331-L380 HydrophobicContact CE1-CD1 4.14Å; Y331-L380 HydrophobicContact CE1-CG 4.36Å; Y331-L380 WeakPolarHBondContact OH-CB 2.97Å; Y331-V381 HydrophobicContact CD1-CG2 3.69Å; Y331-V381 HydrophobicContact CE1-CG2 4.4Å; Y331-V381 HydrophobicContact CG-CG2 4.15Å; Y331-V384 HydrophobicContact CD2-CB 4.38Å; Y331-V384 HydrophobicContact CD2-CG1 4.19Å; Y331-V384 HydrophobicContact CD2-CG2 3.85Å; Y331-V384 HydrophobicContact CE2-CB 4.12Å; Y331-V384 HydrophobicContact CE2-CG1 4.22Å; Y331-V384 HydrophobicContact CE2-CG2 3.14Å
332G89.9Confident87Confident33 Ų3351.5 Ų51.534%0.3430%0.302SS..Hα-helixtrans-57.5-49.5171.300000111.6S328 V329 M334 A335 I336S328-G332 PolarHBondContact O-N 3.04Å; V329-G332 PolarHBondContact O-N 3.11Å; G332-M334 PolarHBondContact O-N 3.26Å; G332-A335 WeakPolarHBondContact O-CB 3.29Å; G332-A335 PolarHBondContact O-N 3.09Å; G332-I336 VanDerWaalsContact O-CG1 3.32Å; G332-I336 WeakPolarHBondContact O-CG1 3.34Å; G332-I336 PolarHBondContact O-N 3.06Å
333L91.4Very high85.1Confident71 Ų7153.9 Ų53.937%0.37231%0.311SS..Hα-helixtrans-63.4-39.9177-66174.5000112.6Y135 V329 L330 A335 I336 Q337Y135-L333 HydrophobicContact CD2-CB 4.24Å; Y135-L333 HydrophobicContact CE2-CB 3.82Å; Y135-L333 HydrophobicContact CE2-CD1 3.78Å; Y135-L333 HydrophobicContact CE2-CG 4.47Å; V329-L333 HydrophobicContact CG1-CD1 3.97Å; V329-L333 HydrophobicContact CG1-CG 4.36Å; V329-L333 VanDerWaalsContact O-CG 3.29Å; V329-L333 WeakPolarHBondContact O-CG 3.45Å; V329-L333 PolarHBondContact O-N 2.83Å; L330-L333 PolarHBondContact O-N 3.48Å; L333-A335 VanDerWaalsContact C-N 3.33Å; L333-I336 PolarHBondContact O-N 3.44Å; L333-Q337 WeakPolarHBondContact O-CB 3.34Å; L333-Q337 PolarHBondContact O-N 2.94Å
334M88.9Confident83.1Confident0 Ų055.5 Ų55.50%033%0.33CS..Hα-helixtrans-63.2-39.7174.9-73.7165.763.400111.8R134 Y135 I138 L330 Y331 G332 L338 V377 L380R134-M334 HydrophobicContact CB-CE 3.69Å; R134-M334 HydrophobicContact CB-SD 4.27Å; Y135-M334 HydrophobicContact CD2-CG 4.16Å; I138-M334 HydrophobicContact CD1-CE 3.66Å; I138-M334 HydrophobicContact CG2-CG 4.33Å; L330-M334 WeakPolarHBondContact O-CB 3.49Å; L330-M334 WeakPolarHBondContact O-CG 3.49Å; L330-M334 PolarHBondContact O-N 3.39Å; Y331-M334 HydrophobicContact CD1-CE 4.22Å; Y331-M334 HydrophobicContact CD1-SD 4.12Å; Y331-M334 HydrophobicContact CE1-CE 3.96Å; Y331-M334 HydrophobicContact CE1-SD 4.15Å; Y331-M334 PolarHBondContact O-N 3.22Å; G332-M334 PolarHBondContact O-N 3.26Å; M334-L338 WeakPolarHBondContact O-CB 3.49Å; M334-L338 VanDerWaalsContact O-CG 3.25Å; M334-L338 WeakPolarHBondContact O-CG 3.45Å; M334-L338 PolarHBondContact O-N 3.48Å; M334-L338 VanDerWaalsContact O-N 3.07Å; M334-V377 HydrophobicContact CE-CG2 3.81Å; M334-L380 HydrophobicContact CE-CD1 3.8Å
335A86.1Confident81.1Confident54 Ų5457.1 Ų57.145%0.44634%0.339SS..Hα-helixtrans-65.2-45.1176.600000111.5Y331 G332 L333 L338 S339Y331-A335 WeakPolarHBondContact O-CB 3.01Å; Y331-A335 PolarHBondContact O-N 3Å; G332-A335 WeakPolarHBondContact O-CB 3.29Å; G332-A335 PolarHBondContact O-N 3.09Å; L333-A335 VanDerWaalsContact C-N 3.33Å; A335-L338 PolarHBondContact O-N 3.07Å; A335-S339 PolarHBondContact O-N 2.86Å
336I86.1Confident78.9Confident88 Ų8862 Ų6245%0.45135%0.348SS..Hα-helixtrans-60.1-49.2175.2-67.6165.7000110.5G332 L333 L338 S339 H340G332-I336 VanDerWaalsContact O-CG1 3.32Å; G332-I336 WeakPolarHBondContact O-CG1 3.34Å; G332-I336 PolarHBondContact O-N 3.06Å; L333-I336 PolarHBondContact O-N 3.44Å; I336-L338 VanDerWaalsContact C-N 3.25Å; I336-L338 PolarHBondContact O-N 3.31Å; I336-S339 PolarHBondContact O-N 2.96Å; I336-S339 VanDerWaalsContact O-N 3.08Å; I336-S339 PolarHBondContact O-OG 3.06Å; I336-H340 PolarHBondContact O-CD2 3.07Å; I336-H340 PolarHBondContact O-N 2.85Å
337Q84.5Confident76.6Confident74 Ų7461.8 Ų61.835%0.34636%0.357SS..Hα-helixtrans-60-37.8179.2-175.662.427.800112.4I138 L333 S341I138-Q337 HydrophobicContact CG2-CG 4.42Å; L333-Q337 WeakPolarHBondContact O-CB 3.34Å; L333-Q337 PolarHBondContact O-N 2.94Å; Q337-S341 WeakPolarHBondContact O-CB 3.01Å; Q337-S341 PolarHBondContact O-N 3.27Å; Q337-S341 VanDerWaalsContact O-N 3.12Å; Q337-S341 PolarHBondContact O-OG 2.84Å
338L80.6Confident74.6Confident16 Ų1668.3 Ų68.38%0.08439%0.387CS..Hα-helixtrans-71.8-30177.4-74.5176.2000113.2I138 M334 A335 I336 N342 R373 V377I138-L338 HydrophobicContact CG2-CG 4.5Å; M334-L338 WeakPolarHBondContact O-CB 3.49Å; M334-L338 VanDerWaalsContact O-CG 3.25Å; M334-L338 WeakPolarHBondContact O-CG 3.45Å; M334-L338 PolarHBondContact O-N 3.48Å; M334-L338 VanDerWaalsContact O-N 3.07Å; A335-L338 PolarHBondContact O-N 3.07Å; I336-L338 VanDerWaalsContact C-N 3.25Å; I336-L338 PolarHBondContact O-N 3.31Å; L338-N342 PolarHBondContact O-ND2 2.68Å; L338-R373 HydrophobicContact CD2-CB 4.39Å; L338-R373 HydrophobicContact CD2-CG 3.78Å; L338-V377 HydrophobicContact CD1-CB 3.7Å; L338-V377 HydrophobicContact CD1-CG1 4.02Å; L338-V377 HydrophobicContact CD1-CG2 3.39Å
339S81.2Confident72.5Confident56 Ų5669 Ų6939%0.39239%0.392SS..Hα-helixtrans-71.7-46.3174.375.10000111A335 I336 S341 N342 L343A335-S339 PolarHBondContact O-N 2.86Å; I336-S339 PolarHBondContact O-N 2.96Å; I336-S339 VanDerWaalsContact O-N 3.08Å; I336-S339 PolarHBondContact O-OG 3.06Å; S339-S341 VanDerWaalsContact C-N 3.31Å; S339-S341 PolarHBondContact O-N 2.86Å; S339-N342 WeakPolarHBondContact O-CB 3.47Å; S339-N342 PolarHBondContact O-N 3.49Å; S339-L343 WeakPolarHBondContact O-CD1 3.24Å; S339-L343 PolarHBondContact O-N 3.32Å
340H78.3Confident70.3Confident112 Ų11271.8 Ų71.852%0.51940%0.404SS..Hα-helixtrans-61.2-37.7176.4-76.2-74.1000113I336 N342 L343 G344I336-H340 PolarHBondContact O-CD2 3.07Å; I336-H340 PolarHBondContact O-N 2.85Å; H340-N342 PolarHBondContact O-N 3.26Å; H340-L343 PolarHBondContact O-N 2.97Å; H340-G344 PolarHBondContact O-N 2.99Å
341S70.5Confident68.1Low46 Ų4675.8 Ų75.832%0.32243%0.433SS..Hα-helixtrans-60.7-30175.5-58.10000112.2Q337 S339 L345Q337-S341 WeakPolarHBondContact O-CB 3.01Å; Q337-S341 PolarHBondContact O-N 3.27Å; Q337-S341 VanDerWaalsContact O-N 3.12Å; Q337-S341 PolarHBondContact O-OG 2.84Å; S339-S341 VanDerWaalsContact C-N 3.31Å; S339-S341 PolarHBondContact O-N 2.86Å; S341-L345 WeakPolarHBondContact O-CD1 3.3Å; S341-L345 WeakPolarHBondContact O-CG 3.36Å; S341-L345 PolarHBondContact O-N 3.35Å
342N60.2Low66.1Low43 Ų4383.7 Ų83.723%0.2347%0.468CS..Hα-helixtrans-76.6-32.1173.2-72.6-45.3000112.6L338 S339 H340 L345 R346 R374L338-N342 PolarHBondContact O-ND2 2.68Å; S339-N342 WeakPolarHBondContact O-CB 3.47Å; S339-N342 PolarHBondContact O-N 3.49Å; H340-N342 PolarHBondContact O-N 3.26Å; N342-L345 PolarHBondContact O-N 2.88Å; N342-R346 WeakPolarHBondContact O-CB 3.35Å; N342-R346 PolarHBondContact O-N 2.94Å; N342-R374 PolarHBondContact OD1-NH2 3.49Å
343L54.7Low63.8Low114 Ų11490.7 Ų90.760%0.59749%0.492SS*.Hα-helixtrans-66.7-42.5175-89.382000111.5S339 H340 L345 R346 A347S339-L343 WeakPolarHBondContact O-CD1 3.24Å; S339-L343 PolarHBondContact O-N 3.32Å; H340-L343 PolarHBondContact O-N 2.97Å; L343-L345 VanDerWaalsContact C-N 3.3Å; L343-L345 PolarHBondContact O-N 3.43Å; L343-R346 PolarHBondContact O-N 3.4Å; L343-A347 WeakPolarHBondContact O-CB 3.48Å; L343-A347 PolarHBondContact O-N 2.83Å
344G52.1Low61.3Low44 Ų4498.4 Ų98.445%0.45452%0.516SS..Hα-helixtrans-61.7-36.8175.900000113.2H340 Q348H340-G344 PolarHBondContact O-N 2.99Å; G344-Q348 PolarHBondContact O-N 3.45Å
345L49.6Very low58.8Low100 Ų100107.7 Ų107.752%0.52456%0.556SS.*Hα-helixtrans-74-34.6176-69.7169000112.8S341 N342 L343 S349S341-L345 WeakPolarHBondContact O-CD1 3.3Å; S341-L345 WeakPolarHBondContact O-CG 3.36Å; S341-L345 PolarHBondContact O-N 3.35Å; N342-L345 PolarHBondContact O-N 2.88Å; L343-L345 VanDerWaalsContact C-N 3.3Å; L343-L345 PolarHBondContact O-N 3.43Å; L345-S349 PolarHBondContact O-N 3.22Å
346R46.4Very low56.4Low197 Ų197111.2 Ų111.274%0.74357%0.572SS**Hα-helixtrans-73-37.9174.2-83.6-178.4169.1174.7-4.4112.5N342 L343 S349 N350N342-R346 WeakPolarHBondContact O-CB 3.35Å; N342-R346 PolarHBondContact O-N 2.94Å; L343-R346 PolarHBondContact O-N 3.4Å; R346-S349 WeakPolarHBondContact O-CB 3.5Å; R346-S349 PolarHBondContact O-N 3.25Å; R346-S349 VanDerWaalsContact O-N 3.15Å; R346-N350 PolarHBondContact O-N 3.3Å
347A47.1Very low53.8Low67 Ų67117.2 Ų117.255%0.55460%0.595SS**Hα-helixtrans-64.7-38.6176.300000112.2L343 S349 N350 S351L343-A347 WeakPolarHBondContact O-CB 3.48Å; L343-A347 PolarHBondContact O-N 2.83Å; A347-S349 VanDerWaalsContact C-N 3.31Å; A347-S349 PolarHBondContact O-N 2.93Å; A347-N350 PolarHBondContact O-N 3.05Å; A347-S351 PolarHBondContact O-N 3.4Å
348Q49.2Very low51.5Low139 Ų139118.1 Ų118.165%0.6561%0.609SS**Hα-helixtrans-68.1-28.7172.5-84.8-173.7-6.800113.5G344G344-Q348 PolarHBondContact O-N 3.45Å
349S47.5Very low49.4Very low80 Ų80122.2 Ų122.256%0.55964%0.639SS**Hα-helixtrans-71.8-33.6177.9-166.90000112.7L345 R346 A347L345-S349 PolarHBondContact O-N 3.22Å; R346-S349 WeakPolarHBondContact O-CB 3.5Å; R346-S349 PolarHBondContact O-N 3.25Å; R346-S349 VanDerWaalsContact O-N 3.15Å; A347-S349 VanDerWaalsContact C-N 3.31Å; A347-S349 PolarHBondContact O-N 2.93Å
350N47.3Very low47Very low140 Ų140125 Ų12575%0.74966%0.658SS**Hα-helixtrans-86.8-17.1-177.2-78.30.7000114.1R346 A347R346-N350 PolarHBondContact O-N 3.3Å; A347-N350 PolarHBondContact O-N 3.05Å
351S48.8Very low44.4Very low102 Ų102125.6 Ų125.671%0.71367%0.674SS**Hα-helixtrans-87.2-17.9178.7172.90000114.1A347A347-S351 PolarHBondContact O-N 3.4Å
352K47Very low42.4Very low182 Ų182128.5 Ų128.579%0.79169%0.694SS**  trans-94.111.3-176.5-80.8-170.3176.2-176.30115.9R354K352-R354 PolarHBondContact O-N 2.88Å
353H42.6Very low41.3Very low179 Ų179134.6 Ų134.683%0.82973%0.725SS**  trans-81.412.4-177.4-127.5-47.5000115.8
354R38.2Very low40.3Very low233 Ų233133.9 Ų133.988%0.87973%0.73SS**SBendtrans-135.372.9-176.8-157.1176.8-179.7-172.9-0.1111.4K352K352-R354 PolarHBondContact O-N 2.88Å
355K36.4Very low39.5Very low196 Ų196140.9 Ų140.985%0.85275%0.747SS**SBendtrans163134.9143.4-90.4171.4-176.7-175.70111.8
356V37.1Very low38.9Very low128 Ų128141.5 Ų141.578%0.77676%0.756SS**  trans87102.9164.5-1610000117.7
357K31.1Very low38.3Very low214 Ų214143 Ų14393%0.9376%0.762SS**  trans-80.8110154.6-73.8178.6175.6179.10108.2
358S35.1Very low37.9Very low92 Ų92143.7 Ų143.764%0.64376%0.762SS**  trans-167.7136.6152.356.40000111.6
359S36.9Very low37.7Very low103 Ų103141.4 Ų141.472%0.7276%0.761SS**  trans55.699.7158.454.80000120
360S31.1Very low37.9Very low113 Ų113138.7 Ų138.779%0.7975%0.746SS**  31.3118.4126.957.60000120.7
361C24.5Very low38.5Very low126 Ų126135.7 Ų135.785%0.85174%0.736SS**  trans92.5125.5143.8-147.80000119.9
362S28.6Very low39.1Very low107 Ų107134.9 Ų134.975%0.74873%0.729SS**  trans97.442.6162.979.40000121.5
363I37.2Very low40Very low170 Ų170129.7 Ų129.787%0.87271%0.705SS**  trans-107.458.7168.1-53.5173.1000111.3
364S33.7Very low41.4Very low99 Ų99125.6 Ų125.669%0.69268%0.682SS**  trans-128.7-1178.257.40000115.4
365K34.6Very low43.2Very low191 Ų191116.1 Ų116.183%0.8366%0.657SS**SBendtrans-89.5-7.9-173.9-78.4-178.61781730116.6
366T37.3Very low44.9Very low114 Ų114110.1 Ų110.170%0.69963%0.633SS**SBendtrans-98.8-16.7-175.946.20000115.3
367R34Very low46.8Very low229 Ų229104.5 Ų104.586%0.86460%0.599SS**Hα-helixtrans-76.5-19.6178.7-79.3175.383.8154.3-0.7114.5
368S38Very low49.2Very low80 Ų80102.5 Ų102.556%0.55959%0.586SS**Hα-helixtrans-77.2-35.8-171.963.10000114.3G370 S371 C372S368-G370 PolarHBondContact O-N 3.01Å; S368-S371 PolarHBondContact O-N 3.48Å; S368-C372 PolarHBondContact O-N 3.19Å; S368-C372 VanDerWaalsContact O-N 3.13Å
369S45.5Very low51.3Low91 Ų9198.9 Ų98.964%0.63656%0.559SS**Hα-helixtrans-64.2-39.8-175.3-174.20000112.5S371 C372 R373S369-S371 PolarHBondContact O-N 2.95Å; S369-C372 PolarHBondContact O-N 3.04Å; S369-R373 PolarHBondContact O-N 3.41Å; S369-R373 VanDerWaalsContact O-N 3.15Å
370G52Low53.3Low24 Ų2494 Ų9425%0.24753%0.525CS..Hα-helixtrans-71.4-27.2178.900000114.5S368 R374S368-G370 PolarHBondContact O-N 3.01Å; G370-R374 WeakPolarHBondContact O-CG 3.29Å; G370-R374 PolarHBondContact O-N 3.47Å; G370-R374 PolarHBondContact O-NE 3.22Å
371S57.9Low55.9Low77 Ų7791.3 Ų91.354%0.53850%0.504SS..Hα-helixtrans-76-43.7174.8-172.70000111.1S368 S369 R373 R374 G375S368-S371 PolarHBondContact O-N 3.48Å; S369-S371 PolarHBondContact O-N 2.95Å; S371-R373 PolarHBondContact O-N 2.91Å; S371-R374 PolarHBondContact O-N 2.89Å; S371-G375 PolarHBondContact O-N 2.94Å
372C62.1Low58.9Low84 Ų8486.7 Ų86.757%0.56848%0.475SS*.Hα-helixtrans-58.5-45.4176.9-1780000111.9S368 S369 R374 G375 I376S368-C372 PolarHBondContact O-N 3.19Å; S368-C372 VanDerWaalsContact O-N 3.13Å; S369-C372 PolarHBondContact O-N 3.04Å; C372-R374 PolarHBondContact O-N 3.15Å; C372-G375 PolarHBondContact O-N 3.19Å; C372-I376 WeakPolarHBondContact O-CG1 3.3Å; C372-I376 PolarHBondContact O-N 2.79Å; C372-I376 VanDerWaalsContact O-N 3.16Å
373R65.5Low61.6Low73 Ų7381.7 Ų81.728%0.27544%0.44SS..Hα-helixtrans-66.7-35.4-179.9-165.4173.5163.7168.6-21.5113.2I138 L338 S369 S371 I376 V377I138-R373 HydrophobicContact CD1-CG 4.34Å; I138-R373 PolarHBondContact O-NH2 3.47Å; L338-R373 HydrophobicContact CD2-CB 4.39Å; L338-R373 HydrophobicContact CD2-CG 3.78Å; S369-R373 PolarHBondContact O-N 3.41Å; S369-R373 VanDerWaalsContact O-N 3.15Å; S371-R373 PolarHBondContact O-N 2.91Å; R373-I376 PolarHBondContact O-N 3.28Å; R373-V377 PolarHBondContact O-N 3.09Å; R373-V377 VanDerWaalsContact O-N 3.14Å
374R72.1Confident63.8Low94 Ų9474 Ų7436%0.35540%0.4SS..Hα-helixtrans-66-42173.4-82.8-179.5-85.7178.1-10.9112.1N342 G370 S371 C372 I376 V377 R378N342-R374 PolarHBondContact OD1-NH2 3.49Å; G370-R374 WeakPolarHBondContact O-CG 3.29Å; G370-R374 PolarHBondContact O-N 3.47Å; G370-R374 PolarHBondContact O-NE 3.22Å; S371-R374 PolarHBondContact O-N 2.89Å; C372-R374 PolarHBondContact O-N 3.15Å; R374-I376 VanDerWaalsContact C-N 3.3Å; R374-I376 PolarHBondContact O-N 3.24Å; R374-V377 PolarHBondContact O-N 3.49Å; R374-R378 WeakPolarHBondContact O-CG 3.28Å; R374-R378 PolarHBondContact O-N 2.86Å
375G76Confident66.5Low34 Ų3472.8 Ų72.835%0.35139%0.389SS..Hα-helixtrans-57.7-43.9175.500000112.1S371 C372 R378 M379S371-G375 PolarHBondContact O-N 2.94Å; C372-G375 PolarHBondContact O-N 3.19Å; G375-R378 PolarHBondContact O-N 3.43Å; G375-M379 PolarHBondContact O-N 2.02Å; G375-M379 VanDerWaalsContact O-N 3.1Å
376I73Confident69.2Low69 Ų6964.6 Ų64.635%0.35436%0.357SS..Hα-helixtrans-61-51.2175.9-63.6166.1000110.3C372 R373 R374 R378 M379 L380C372-I376 WeakPolarHBondContact O-CG1 3.3Å; C372-I376 PolarHBondContact O-N 2.79Å; C372-I376 VanDerWaalsContact O-N 3.16Å; R373-I376 PolarHBondContact O-N 3.28Å; R374-I376 VanDerWaalsContact C-N 3.3Å; R374-I376 PolarHBondContact O-N 3.24Å; I376-R378 VanDerWaalsContact C-N 3.32Å; I376-R378 PolarHBondContact O-N 3.44Å; I376-M379 WeakPolarHBondContact O-CB 3.36Å; I376-M379 PolarHBondContact O-N 3.39Å; I376-M379 VanDerWaalsContact O-N 3.09Å; I376-L380 HydrophobicContact CG2-CD1 3.99Å; I376-L380 HydrophobicContact CG2-CG 4.22Å; I376-L380 VanDerWaalsContact O-CG 3.25Å; I376-L380 WeakPolarHBondContact O-CG 3.33Å; I376-L380 PolarHBondContact O-N 3.2Å
377V76.4Confident71.5Confident10 Ų1059.8 Ų59.86%0.06133%0.326CS..Hα-helixtrans-63.3-36-178.3174.90000113I138 M334 L338 R373 R374 M379 L380 V381I138-V377 HydrophobicContact CD1-CG2 3.45Å; I138-V377 VanDerWaalsContact CD1-CG2 3.45Å; M334-V377 HydrophobicContact CE-CG2 3.81Å; L338-V377 HydrophobicContact CD1-CB 3.7Å; L338-V377 HydrophobicContact CD1-CG1 4.02Å; L338-V377 HydrophobicContact CD1-CG2 3.39Å; R373-V377 PolarHBondContact O-N 3.09Å; R373-V377 VanDerWaalsContact O-N 3.14Å; R374-V377 PolarHBondContact O-N 3.49Å; V377-M379 VanDerWaalsContact C-N 3.34Å; V377-M379 PolarHBondContact O-N 3.41Å; V377-L380 PolarHBondContact O-N 3.31Å; V377-V381 HydrophobicContact CG1-CG2 4.25Å; V377-V381 WeakPolarHBondContact O-CG2 3.32Å; V377-V381 PolarHBondContact O-N 3.33Å
378R80.7Confident74.2Confident172 Ų17249.9 Ų49.965%0.64929%0.289SS*.Hα-helixtrans-60.4-43.8172.4-72.1179.1-172.8170.6-1.3112.1R374 G375 I376 L380 V381 A382 M437R374-R378 WeakPolarHBondContact O-CG 3.28Å; R374-R378 PolarHBondContact O-N 2.86Å; G375-R378 PolarHBondContact O-N 3.43Å; I376-R378 VanDerWaalsContact C-N 3.32Å; I376-R378 PolarHBondContact O-N 3.44Å; R378-L380 VanDerWaalsContact C-N 3.3Å; R378-L380 PolarHBondContact O-N 3.44Å; R378-V381 PolarHBondContact O-N 2.93Å; R378-A382 WeakPolarHBondContact O-CB 3.25Å; R378-A382 PolarHBondContact O-N 3.48Å; R378-M437 HydrophobicContact CB-CE 4.1Å
379M80.9Confident76.9Confident16 Ų1651 Ų518%0.07929%0.288CS..Hα-helixtrans-58.4-45.2174.6-178.5-178.987.500111.7G375 I376 V377 A382 V383 Y434 M437G375-M379 PolarHBondContact O-N 2.02Å; G375-M379 VanDerWaalsContact O-N 3.1Å; I376-M379 WeakPolarHBondContact O-CB 3.36Å; I376-M379 PolarHBondContact O-N 3.39Å; I376-M379 VanDerWaalsContact O-N 3.09Å; V377-M379 VanDerWaalsContact C-N 3.34Å; V377-M379 PolarHBondContact O-N 3.41Å; M379-A382 PolarHBondContact O-N 2.8Å; M379-V383 WeakPolarHBondContact O-CG2 3.43Å; M379-V383 PolarHBondContact O-N 3.43Å; M379-V383 VanDerWaalsContact O-N 3.07Å; M379-Y434 HydrophobicContact CE-CD1 4.45Å; M379-Y434 HydrophobicContact SD-CD1 4.32Å; M379-M437 VanDerWaalsContact CA-SD 3.59Å; M379-M437 HydrophobicContact CB-CB 3.7Å; M379-M437 HydrophobicContact CB-CE 4.06Å; M379-M437 HydrophobicContact CB-CG 4.49Å; M379-M437 HydrophobicContact CB-SD 4.06Å; M379-M437 HydrophobicContact CG-CB 3.56Å; M379-M437 HydrophobicContact CG-CG 4.39Å; M379-M437 HydrophobicContact CG-SD 4.14Å; M379-M437 HydrophobicContact SD-CB 3.92Å
380L79.2Confident79.2Confident1 Ų147 Ų471%0.00526%0.26CS..Hα-helixtrans-64.3-44.9-179-62.3175.4000112.4F130 R134 Y331 M334 I376 V377 R378 A382 V383 V384F130-L380 HydrophobicContact CD1-CD2 3.93Å; F130-L380 HydrophobicContact CE1-CD2 2.99Å; F130-L380 HydrophobicContact CE1-CG 4.47Å; F130-L380 HydrophobicContact CE2-CD2 4.29Å; F130-L380 HydrophobicContact CZ-CD2 3.22Å; R134-L380 HydrophobicContact CB-CD1 3.92Å; R134-L380 HydrophobicContact CG-CD1 3.56Å; R134-L380 HydrophobicContact CG-CD2 4.24Å; Y331-L380 HydrophobicContact CD1-CB 4.42Å; Y331-L380 HydrophobicContact CE1-CB 3.36Å; Y331-L380 HydrophobicContact CE1-CD1 4.14Å; Y331-L380 HydrophobicContact CE1-CG 4.36Å; Y331-L380 WeakPolarHBondContact OH-CB 2.97Å; M334-L380 HydrophobicContact CE-CD1 3.8Å; I376-L380 HydrophobicContact CG2-CD1 3.99Å; I376-L380 HydrophobicContact CG2-CG 4.22Å; I376-L380 VanDerWaalsContact O-CG 3.25Å; I376-L380 WeakPolarHBondContact O-CG 3.33Å; I376-L380 PolarHBondContact O-N 3.2Å; V377-L380 PolarHBondContact O-N 3.31Å; R378-L380 VanDerWaalsContact C-N 3.3Å; R378-L380 PolarHBondContact O-N 3.44Å; L380-A382 VanDerWaalsContact C-N 3.3Å; L380-A382 PolarHBondContact O-N 3.04Å; L380-V383 PolarHBondContact O-N 3.37Å; L380-V384 WeakPolarHBondContact O-CG2 3.41Å; L380-V384 PolarHBondContact O-N 2.84Å; L380-V384 VanDerWaalsContact O-N 3.09Å
381V85.3Confident81.2Confident57 Ų5746.1 Ų46.135%0.34525%0.249SC..Hα-helixtrans-60.7-41.91761720000110.7Y331 V377 R378 V383 V384 V385Y331-V381 HydrophobicContact CD1-CG2 3.69Å; Y331-V381 HydrophobicContact CE1-CG2 4.4Å; Y331-V381 HydrophobicContact CG-CG2 4.15Å; V377-V381 HydrophobicContact CG1-CG2 4.25Å; V377-V381 WeakPolarHBondContact O-CG2 3.32Å; V377-V381 PolarHBondContact O-N 3.33Å; R378-V381 PolarHBondContact O-N 2.93Å; V381-V383 PolarHBondContact O-N 3.34Å; V381-V384 PolarHBondContact O-N 3.22Å; V381-V385 HydrophobicContact CG1-CG2 4.13Å; V381-V385 WeakPolarHBondContact O-CB 3.34Å; V381-V385 VanDerWaalsContact O-CG2 3.31Å; V381-V385 WeakPolarHBondContact O-CG2 3.47Å; V381-V385 PolarHBondContact O-N 3.39Å
382A87.5Confident82.9Confident29 Ų2944.3 Ų44.324%0.2424%0.239CC..Hα-helixtrans-60.7-43.1177.100000112.3R378 M379 L380 V384 A386 L433 M437R378-A382 WeakPolarHBondContact O-CB 3.25Å; R378-A382 PolarHBondContact O-N 3.48Å; M379-A382 PolarHBondContact O-N 2.8Å; L380-A382 VanDerWaalsContact C-N 3.3Å; L380-A382 PolarHBondContact O-N 3.04Å; A382-V384 VanDerWaalsContact C-N 3.33Å; A382-V384 PolarHBondContact O-N 3.09Å; A382-A386 WeakPolarHBondContact O-CB 3.46Å; A382-A386 PolarHBondContact O-N 3.42Å; A382-L433 HydrophobicContact CB-CD2 4.08Å; A382-M437 HydrophobicContact CB-CE 4.22Å; A382-M437 HydrophobicContact CB-SD 3.79Å
383V83.7Confident84.4Confident2 Ų241.3 Ų41.31%0.01222%0.218CC..Hα-helixtrans-61-42.7176.3173.60000111.2L127 M379 L380 V381 F387 L433 Y434L127-V383 HydrophobicContact CD1-CG1 4.48Å; L127-V383 HydrophobicContact CD2-CG1 3.5Å; M379-V383 WeakPolarHBondContact O-CG2 3.43Å; M379-V383 PolarHBondContact O-N 3.43Å; M379-V383 VanDerWaalsContact O-N 3.07Å; L380-V383 PolarHBondContact O-N 3.37Å; V381-V383 PolarHBondContact O-N 3.34Å; V383-F387 WeakPolarHBondContact O-CB 3.43Å; V383-F387 PolarHBondContact O-N 2.93Å; V383-L433 HydrophobicContact CB-CD1 4.16Å; V383-L433 HydrophobicContact CG2-CB 4.16Å; V383-L433 HydrophobicContact CG2-CD1 3.66Å; V383-Y434 HydrophobicContact CG2-CE1 3.9Å
384V84.9Confident85.8Confident8 Ų840.1 Ų40.15%0.04822%0.215CC..Hα-helixtrans-70.8-43.7-177.1175.40000111.9M327 Y331 L380 V381 A382 F387 F388M327-V384 HydrophobicContact CB-CG1 4.19Å; M327-V384 HydrophobicContact CE-CG1 4.32Å; M327-V384 HydrophobicContact CE-CG2 3.74Å; Y331-V384 HydrophobicContact CD2-CB 4.38Å; Y331-V384 HydrophobicContact CD2-CG1 4.19Å; Y331-V384 HydrophobicContact CD2-CG2 3.85Å; Y331-V384 HydrophobicContact CE2-CB 4.12Å; Y331-V384 HydrophobicContact CE2-CG1 4.22Å; Y331-V384 HydrophobicContact CE2-CG2 3.14Å; L380-V384 WeakPolarHBondContact O-CG2 3.41Å; L380-V384 PolarHBondContact O-N 2.84Å; L380-V384 VanDerWaalsContact O-N 3.09Å; V381-V384 PolarHBondContact O-N 3.22Å; A382-V384 VanDerWaalsContact C-N 3.33Å; A382-V384 PolarHBondContact O-N 3.09Å; V384-F387 PolarHBondContact O-N 3.47Å; V384-F388 HydrophobicContact CG1-CD2 3.87Å; V384-F388 HydrophobicContact CG1-CE2 3.27Å; V384-F388 HydrophobicContact CG1-CZ 4.07Å; V384-F388 WeakPolarHBondContact O-CD2 3.47Å; V384-F388 PolarHBondContact O-N 2.91Å
385V90.3Very high86.8Confident74 Ų7436.3 Ų36.345%0.44820%0.201SC..Hα-helixtrans-64.2-45.3176.5170.50000110.5V381 F387 F388 I389V381-V385 HydrophobicContact CG1-CG2 4.13Å; V381-V385 WeakPolarHBondContact O-CB 3.34Å; V381-V385 VanDerWaalsContact O-CG2 3.31Å; V381-V385 WeakPolarHBondContact O-CG2 3.47Å; V381-V385 PolarHBondContact O-N 3.39Å; V385-F387 VanDerWaalsContact C-N 3.3Å; V385-F387 PolarHBondContact O-N 3.15Å; V385-F388 PolarHBondContact O-N 3.43Å; V385-I389 HydrophobicContact CG1-CD1 3.58Å; V385-I389 HydrophobicContact CG1-CG1 4.32Å; V385-I389 VanDerWaalsContact O-CG1 3.31Å; V385-I389 WeakPolarHBondContact O-CG1 3.45Å; V385-I389 PolarHBondContact O-N 3.41Å
386A91Very high87.6Confident19 Ų1938.6 Ų38.616%0.15721%0.205CC..Hα-helixtrans-57.9-44.9175.800000111.7A382 I389 C390 V429 L433A382-A386 WeakPolarHBondContact O-CB 3.46Å; A382-A386 PolarHBondContact O-N 3.42Å; A386-I389 PolarHBondContact O-N 2.94Å; A386-C390 VanDerWaalsContact O-CB 3.32Å; A386-C390 WeakPolarHBondContact O-CB 3.03Å; A386-C390 PolarHBondContact O-N 3.48Å; A386-C390 PolarHBondContact O-SG 2.83Å; A386-V429 HydrophobicContact CB-CG1 3.63Å; A386-L433 HydrophobicContact CB-CD1 4.06Å
387F86.3Confident88.6Confident13 Ų1337.2 Ų37.26%0.05720%0.197CC..Hα-helixtrans-57-55.5175.8-174.1-87.1000110.9I124 L127 V383 V384 V385 I389 C390 W391I124-F387 HydrophobicContact CB-CE1 3.95Å; I124-F387 HydrophobicContact CB-CE2 4.3Å; I124-F387 HydrophobicContact CB-CZ 3.53Å; I124-F387 HydrophobicContact CD1-CD1 4.44Å; I124-F387 HydrophobicContact CD1-CE1 3.43Å; I124-F387 VanDerWaalsContact CD1-CE1 3.43Å; I124-F387 HydrophobicContact CD1-CZ 3.88Å; I124-F387 HydrophobicContact CG1-CD1 4.39Å; I124-F387 HydrophobicContact CG1-CE1 3.52Å; I124-F387 HydrophobicContact CG1-CZ 3.68Å; L127-F387 HydrophobicContact CD1-CB 3.92Å; L127-F387 HydrophobicContact CD1-CD1 4.44Å; L127-F387 HydrophobicContact CD1-CD2 3.37Å; L127-F387 HydrophobicContact CD1-CE2 4.03Å; L127-F387 HydrophobicContact CD1-CG 3.63Å; V383-F387 WeakPolarHBondContact O-CB 3.43Å; V383-F387 PolarHBondContact O-N 2.93Å; V384-F387 PolarHBondContact O-N 3.47Å; V385-F387 VanDerWaalsContact C-N 3.3Å; V385-F387 PolarHBondContact O-N 3.15Å; F387-I389 PolarHBondContact O-N 3.31Å; F387-C390 PolarHBondContact O-N 2.93Å; F387-C390 VanDerWaalsContact O-N 3.14Å; F387-W391 AromaticContact CD1-CD1 3.99Å; F387-W391 HydrophobicContact CD1-CG 4.44Å; F387-W391 AromaticContact CD2-CD1 3.54Å; F387-W391 AromaticContact CD2-NE1 3.61Å; F387-W391 HydrophobicContact CE1-CB 4.3Å; F387-W391 AromaticContact CE1-CD1 3.84Å; F387-W391 AromaticContact CE1-CG 3.98Å; F387-W391 HydrophobicContact CE1-CG 3.98Å; F387-W391 AromaticContact CE2-CD1 3.41Å; F387-W391 VanDerWaalsContact CE2-CD1 3.41Å; F387-W391 HydrophobicContact CE2-CD2 4.36Å; F387-W391 AromaticContact CE2-CE2 3.97Å; F387-W391 HydrophobicContact CE2-CG 4.11Å; F387-W391 AromaticContact CE2-NE1 3.26Å; F387-W391 VanDerWaalsContact CE2-NE1 3.26Å; F387-W391 AromaticContact CG-CD1 3.82Å; F387-W391 AromaticContact CZ-CD1 3.53Å; F387-W391 HydrophobicContact CZ-CD2 4.08Å; F387-W391 AromaticContact CZ-CG 3.78Å; F387-W391 HydrophobicContact CZ-CG 3.78Å; F387-W391 AromaticContact CZ-NE1 3.72Å; F387-W391 WeakPolarHBondContact O-CB 3.42Å; F387-W391 PolarHBondContact O-N 3.03Å
388F90.2Very high89.3Confident21 Ų2137.9 Ų37.99%0.09220%0.199CC..Hα-helixtrans-64.2-37-177.5-62.3-48.2000114F320 M324 M327 V384 V385 C390 W391 A392F320-F388 AromaticContact CE2-CD1 3.81Å; F320-F388 HydrophobicContact CE2-CD1 3.81Å; F320-F388 HydrophobicContact CZ-CD1 4.16Å; M324-F388 HydrophobicContact CB-CD1 3.97Å; M324-F388 HydrophobicContact CB-CE1 3.52Å; M324-F388 HydrophobicContact CB-CE2 4.22Å; M324-F388 HydrophobicContact CB-CZ 3.72Å; M324-F388 HydrophobicContact CG-CD1 3.87Å; M324-F388 HydrophobicContact CG-CD2 3.95Å; M324-F388 HydrophobicContact CG-CE1 3.83Å; M324-F388 HydrophobicContact CG-CE2 3.84Å; M324-F388 HydrophobicContact CG-CG 3.99Å; M324-F388 HydrophobicContact CG-CZ 3.86Å; M324-F388 HydrophobicContact SD-CD1 4.36Å; M324-F388 HydrophobicContact SD-CG 4.42Å; M327-F388 HydrophobicContact CB-CE2 4.26Å; M327-F388 HydrophobicContact CB-CZ 4.08Å; M327-F388 HydrophobicContact CG-CZ 4.35Å; V384-F388 HydrophobicContact CG1-CD2 3.87Å; V384-F388 HydrophobicContact CG1-CE2 3.27Å; V384-F388 HydrophobicContact CG1-CZ 4.07Å; V384-F388 WeakPolarHBondContact O-CD2 3.47Å; V384-F388 PolarHBondContact O-N 2.91Å; V385-F388 PolarHBondContact O-N 3.43Å; F388-C390 VanDerWaalsContact C-N 3.32Å; F388-C390 PolarHBondContact O-N 3.11Å; F388-W391 PolarHBondContact O-N 3.31Å; F388-A392 WeakPolarHBondContact O-CB 3.23Å; F388-A392 PolarHBondContact O-N 3.17Å
389I93.6Very high89.9Confident102 Ų10231.3 Ų31.352%0.52318%0.178SC..Hα-helixtrans-62.9-42.8175.3-68.7171.2000110.7V385 A386 F387 W391 P393V385-I389 HydrophobicContact CG1-CD1 3.58Å; V385-I389 HydrophobicContact CG1-CG1 4.32Å; V385-I389 VanDerWaalsContact O-CG1 3.31Å; V385-I389 WeakPolarHBondContact O-CG1 3.45Å; V385-I389 PolarHBondContact O-N 3.41Å; A386-I389 PolarHBondContact O-N 2.94Å; F387-I389 PolarHBondContact O-N 3.31Å; I389-W391 VanDerWaalsContact C-N 3.33Å; I389-W391 PolarHBondContact O-N 2.77Å; I389-P393 WeakPolarHBondContact O-CD 3.35Å
390C95.2Very high90.5Very high8 Ų832.1 Ų32.15%0.05418%0.182CC..Hα-helixtrans-68.5-33.9-178.5-68.50000112.8A386 F387 F388 L422 Y423A386-C390 VanDerWaalsContact O-CB 3.32Å; A386-C390 WeakPolarHBondContact O-CB 3.03Å; A386-C390 PolarHBondContact O-N 3.48Å; A386-C390 PolarHBondContact O-SG 2.83Å; F387-C390 PolarHBondContact O-N 2.93Å; F387-C390 VanDerWaalsContact O-N 3.14Å; F388-C390 VanDerWaalsContact C-N 3.32Å; F388-C390 PolarHBondContact O-N 3.11Å; C390-L422 VanDerWaalsContact CB-O 3.29Å; C390-L422 WeakPolarHBondContact CB-O 3.38Å; C390-L422 CarbonylContact O-C 3.59Å; C390-L422 VanDerWaalsContact O-C 3.28Å; C390-L422 VanDerWaalsContact O-CB 3.3Å; C390-L422 WeakPolarHBondContact O-CB 3.47Å; C390-Y423 PolarHBondContact O-N 3.36Å
391W92.9Very high90.9Very high6 Ų636.5 Ų36.52%0.02321%0.209CC..Hα-helixtrans-98.4-24.8-170.7-75.188.9000114.2P120 F320 F387 F388 I389 F394 H395 Y423 S426P120-W391 HydrophobicContact CB-CE3 4.11Å; P120-W391 HydrophobicContact CB-CH2 3.12Å; P120-W391 HydrophobicContact CB-CZ2 3.63Å; P120-W391 HydrophobicContact CB-CZ3 3.3Å; P120-W391 HydrophobicContact CG-CH2 2.99Å; P120-W391 HydrophobicContact CG-CZ2 3.75Å; P120-W391 HydrophobicContact CG-CZ3 3.51Å; F320-W391 HydrophobicContact CD2-CB 4.18Å; F320-W391 HydrophobicContact CE2-CB 3.62Å; F387-W391 AromaticContact CD1-CD1 3.99Å; F387-W391 HydrophobicContact CD1-CG 4.44Å; F387-W391 AromaticContact CD2-CD1 3.54Å; F387-W391 AromaticContact CD2-NE1 3.61Å; F387-W391 HydrophobicContact CE1-CB 4.3Å; F387-W391 AromaticContact CE1-CD1 3.84Å; F387-W391 AromaticContact CE1-CG 3.98Å; F387-W391 HydrophobicContact CE1-CG 3.98Å; F387-W391 AromaticContact CE2-CD1 3.41Å; F387-W391 VanDerWaalsContact CE2-CD1 3.41Å; F387-W391 HydrophobicContact CE2-CD2 4.36Å; F387-W391 AromaticContact CE2-CE2 3.97Å; F387-W391 HydrophobicContact CE2-CG 4.11Å; F387-W391 AromaticContact CE2-NE1 3.26Å; F387-W391 VanDerWaalsContact CE2-NE1 3.26Å; F387-W391 AromaticContact CG-CD1 3.82Å; F387-W391 AromaticContact CZ-CD1 3.53Å; F387-W391 HydrophobicContact CZ-CD2 4.08Å; F387-W391 AromaticContact CZ-CG 3.78Å; F387-W391 HydrophobicContact CZ-CG 3.78Å; F387-W391 AromaticContact CZ-NE1 3.72Å; F387-W391 WeakPolarHBondContact O-CB 3.42Å; F387-W391 PolarHBondContact O-N 3.03Å; F388-W391 PolarHBondContact O-N 3.31Å; I389-W391 VanDerWaalsContact C-N 3.33Å; I389-W391 PolarHBondContact O-N 2.77Å; W391-F394 PolarHBondContact O-N 2.97Å; W391-H395 AromaticContact CE3-NE2 4Å; W391-H395 PolarHBondContact O-CD2 3.42Å; W391-H395 VanDerWaalsContact O-CD2 3.3Å; W391-H395 PolarHBondContact O-N 2.85Å; W391-Y423 HydrophobicContact CE3-CD2 4.11Å; W391-Y423 HydrophobicContact CE3-CE2 4.31Å; W391-Y423 HydrophobicContact CH2-CD1 4.45Å; W391-Y423 AromaticContact CH2-CD2 3.34Å; W391-Y423 HydrophobicContact CH2-CD2 3.34Å; W391-Y423 HydrophobicContact CH2-CE1 4.26Å; W391-Y423 AromaticContact CH2-CE2 3.13Å; W391-Y423 HydrophobicContact CH2-CE2 3.13Å; W391-Y423 HydrophobicContact CH2-CG 4.01Å; W391-Y423 AromaticContact CH2-CZ 3.58Å; W391-Y423 HydrophobicContact CZ2-CD2 4.36Å; W391-Y423 HydrophobicContact CZ2-CE2 4.39Å; W391-Y423 AromaticContact CZ3-CD2 3.28Å; W391-Y423 HydrophobicContact CZ3-CD2 3.28Å; W391-Y423 AromaticContact CZ3-CE2 3.14Å; W391-Y423 HydrophobicContact CZ3-CE2 3.14Å; W391-Y423 HydrophobicContact CZ3-CG 4.31Å; W391-S426 WeakPolarHBondContact CZ2-OG 3.49Å; W391-S426 VanDerWaalsContact NE1-CB 3.34Å; W391-S426 PolarHBondContact NE1-OG 3.34Å
392A93.7Very high91.1Very high39 Ų3934.4 Ų34.432%0.32220%0.197SC..Hα-helixtrans-57.6-44.3-175.100000114.2F320 F388 F394 H395 L396F320-A392 HydrophobicContact CE1-CB 4.37Å; F320-A392 HydrophobicContact CZ-CB 3.83Å; F388-A392 WeakPolarHBondContact O-CB 3.23Å; F388-A392 PolarHBondContact O-N 3.17Å; A392-F394 PolarHBondContact O-N 3.38Å; A392-H395 PolarHBondContact O-N 3.32Å; A392-L396 WeakPolarHBondContact O-CB 3.35Å; A392-L396 PolarHBondContact O-N 2.92Å
393P94.9Very high91.2Very high20 Ų2035.5 Ų35.513%0.1321%0.206CC..Hα-helixtrans-63-40.4-177.8-27.240000112.9I389 H395 L396 Q397 V418 S419 L422I389-P393 WeakPolarHBondContact O-CD 3.35Å; P393-H395 PolarHBondContact O-N 3.02Å; P393-L396 WeakPolarHBondContact O-CB 3.48Å; P393-L396 PolarHBondContact O-N 3.07Å; P393-Q397 WeakPolarHBondContact O-CB 3.36Å; P393-Q397 PolarHBondContact O-N 3.5Å; P393-V418 HydrophobicContact CB-CG1 4.33Å; P393-V418 HydrophobicContact CG-CG1 4.34Å; P393-S419 WeakPolarHBondContact CB-OG 3.32Å; P393-S419 PolarHBondContact O-OG 2.96Å; P393-L422 HydrophobicContact CG-CD1 3.74Å
394F93.8Very high91.3Very high49 Ų4942.1 Ų42.122%0.21524%0.241CC..Hα-helixtrans-60.3-47.3176.6172.3-100000111.8W391 A392 Q397 R398 S419 Y423W391-F394 PolarHBondContact O-N 2.97Å; A392-F394 PolarHBondContact O-N 3.38Å; F394-Q397 PolarHBondContact O-N 2.82Å; F394-R398 WeakPolarHBondContact O-CB 3.36Å; F394-R398 PolarHBondContact O-N 2.69Å; F394-S419 PolarHBondContact N-OG 3.09Å; F394-Y423 HydrophobicContact CB-CD2 4.35Å; F394-Y423 HydrophobicContact CD1-CD2 4.33Å; F394-Y423 HydrophobicContact CD2-CD2 4.06Å; F394-Y423 HydrophobicContact CD2-CE2 4.45Å; F394-Y423 HydrophobicContact CE1-CE2 4.47Å; F394-Y423 HydrophobicContact CE2-CD2 4.45Å; F394-Y423 HydrophobicContact CE2-CE2 4.4Å; F394-Y423 AromaticContact CG-CD2 3.99Å; F394-Y423 HydrophobicContact CG-CD2 3.99Å; F394-Y423 HydrophobicContact CG-CE2 4.5Å; F394-Y423 HydrophobicContact CZ-CE2 4.41Å
395H94Very high91.5Very high14 Ų1445.1 Ų45.17%0.06526%0.259CS..Hα-helixtrans-68.1-35.3177.9-75.7-60.8000112.9T316 F320 W391 A392 P393 R398 V399T316-H395 HydrophobicContact CG2-CB 3.68Å; F320-H395 HydrophobicContact CD1-CB 3.95Å; F320-H395 AromaticContact CD1-CD2 3.83Å; F320-H395 AromaticContact CD1-CG 3.93Å; F320-H395 AromaticContact CD2-CD2 3.19Å; F320-H395 WeakPolarHBondContact CD2-CD2 3.4Å; F320-H395 AromaticContact CD2-NE2 3.58Å; F320-H395 HydrophobicContact CE1-CB 4.28Å; F320-H395 AromaticContact CE2-CD2 3.74Å; F320-H395 HydrophobicContact CG-CB 4.23Å; F320-H395 AromaticContact CG-CD2 3.24Å; F320-H395 WeakPolarHBondContact CG-CD2 3.35Å; F320-H395 AromaticContact CG-CG 3.69Å; F320-H395 AromaticContact CG-NE2 3.71Å; W391-H395 AromaticContact CE3-NE2 4Å; W391-H395 PolarHBondContact O-CD2 3.42Å; W391-H395 VanDerWaalsContact O-CD2 3.3Å; W391-H395 PolarHBondContact O-N 2.85Å; A392-H395 PolarHBondContact O-N 3.32Å; P393-H395 PolarHBondContact O-N 3.02Å; H395-R398 PolarHBondContact CE1-NH2 2.94Å; H395-R398 PolarHBondContact ND1-NH2 3.45Å; H395-R398 PolarHBondContact O-N 2.84Å; H395-V399 WeakPolarHBondContact O-CG2 3.36Å; H395-V399 PolarHBondContact O-N 3.28Å
396L92.7Very high91.4Very high81 Ų8150.8 Ų50.842%0.42428%0.281SS..Hα-helixtrans-62.6-51.1173.4174.761.3000110.6A392 P393 R398 V399 L400 L415A392-L396 WeakPolarHBondContact O-CB 3.35Å; A392-L396 PolarHBondContact O-N 2.92Å; P393-L396 WeakPolarHBondContact O-CB 3.48Å; P393-L396 PolarHBondContact O-N 3.07Å; L396-R398 VanDerWaalsContact C-N 3.31Å; L396-R398 PolarHBondContact O-N 3.45Å; L396-V399 PolarHBondContact O-N 3.3Å; L396-L400 HydrophobicContact CD1-CD1 3.87Å; L396-L400 HydrophobicContact CD1-CD2 4.47Å; L396-L400 HydrophobicContact CD1-CG 3.98Å; L396-L400 HydrophobicContact CG-CD1 3.89Å; L396-L400 HydrophobicContact CG-CG 4.4Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.4Å; L396-L400 PolarHBondContact O-N 3.35Å; L396-L415 HydrophobicContact CD2-CD2 4.4Å
397Q92.5Very high91Very high41 Ų4153.1 Ų53.119%0.19229%0.289CS..Hα-helixtrans-54.7-48.5175.9-178.5-173.9-18.500110.8P393 F394 V399 L400 T401 S419P393-Q397 WeakPolarHBondContact O-CB 3.36Å; P393-Q397 PolarHBondContact O-N 3.5Å; F394-Q397 PolarHBondContact O-N 2.82Å; Q397-V399 PolarHBondContact O-N 3.42Å; Q397-L400 PolarHBondContact O-N 3.11Å; Q397-T401 WeakPolarHBondContact O-CB 3.23Å; Q397-T401 PolarHBondContact O-N 3.49Å; Q397-T401 PolarHBondContact O-OG1 2.8Å; Q397-T401 VanDerWaalsContact O-OG1 3.08Å; Q397-S419 PolarHBondContact OE1-OG 3.2Å
398R92.5Very high91.2Very high24 Ų2457 Ų579%0.09131%0.314CS..Hα-helixtrans-58.7-42.6178.7-172.8166.473.51769.1113.1E117 L312 T316 F394 H395 L396 S402E117-R398 IonicContact OE1-NH1 4Å; E117-R398 IonicContact OE2-NH1 3.89Å; E117-R398 PolarHBondContact OE2-NH1 2.93Å; L312-R398 HydrophobicContact CB-CG 4.08Å; T316-R398 VanDerWaalsContact CA-NH2 3.32Å; T316-R398 VanDerWaalsContact OG1-CZ 3.26Å; T316-R398 PolarHBondContact OG1-NE 3.02Å; T316-R398 PolarHBondContact OG1-NH2 2.92Å; F394-R398 WeakPolarHBondContact O-CB 3.36Å; F394-R398 PolarHBondContact O-N 2.69Å; H395-R398 PolarHBondContact CE1-NH2 2.94Å; H395-R398 PolarHBondContact ND1-NH2 3.45Å; H395-R398 PolarHBondContact O-N 2.84Å; L396-R398 VanDerWaalsContact C-N 3.31Å; L396-R398 PolarHBondContact O-N 3.45Å; R398-S402 VanDerWaalsContact O-CB 3.28Å; R398-S402 WeakPolarHBondContact O-CB 3.39Å; R398-S402 PolarHBondContact O-N 3.15Å; R398-S402 PolarHBondContact O-OG 2.89Å
399V92.9Very high90.8Very high34 Ų3466.4 Ų66.421%0.20635%0.349CS..Hα-helixtrans-67.6-44.4177.1169.70000111.1T316 H395 L396 Q397 S402 A403T316-V399 HydrophobicContact CG2-CG2 3.72Å; H395-V399 WeakPolarHBondContact O-CG2 3.36Å; H395-V399 PolarHBondContact O-N 3.28Å; L396-V399 PolarHBondContact O-N 3.3Å; Q397-V399 PolarHBondContact O-N 3.42Å; V399-S402 WeakPolarHBondContact CA-OG 3.43Å; V399-S402 PolarHBondContact O-N 3.02Å; V399-S402 PolarHBondContact O-OG 2.81Å; V399-A403 WeakPolarHBondContact O-CB 3.3Å; V399-A403 PolarHBondContact O-N 2.61Å
400L92.4Very high90.5Very high32 Ų3269.3 Ų69.317%0.16836%0.358CS..Hα-helixtrans-62.4-46.3179.5-68.2173.4000111.8L396 Q397 A403 N404 V405 F411 L415L396-L400 HydrophobicContact CD1-CD1 3.87Å; L396-L400 HydrophobicContact CD1-CD2 4.47Å; L396-L400 HydrophobicContact CD1-CG 3.98Å; L396-L400 HydrophobicContact CG-CD1 3.89Å; L396-L400 HydrophobicContact CG-CG 4.4Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.4Å; L396-L400 PolarHBondContact O-N 3.35Å; Q397-L400 PolarHBondContact O-N 3.11Å; L400-A403 PolarHBondContact O-N 3.05Å; L400-N404 PolarHBondContact O-N 3.12Å; L400-V405 HydrophobicContact CD2-CB 4.19Å; L400-V405 HydrophobicContact CD2-CG1 4.29Å; L400-V405 HydrophobicContact CD2-CG2 4.18Å; L400-V405 PolarHBondContact O-N 3Å; L400-V405 VanDerWaalsContact O-N 3.13Å; L400-F411 HydrophobicContact CD1-CE1 3.91Å; L400-L415 HydrophobicContact CD1-CD1 3.8Å
401T88.2Confident90.3Very high93 Ų9372 Ų7257%0.57137%0.369SS*.Hα-helixtrans-65.3-45.6177.4-56.50000111.5Q397 A403 N404Q397-T401 WeakPolarHBondContact O-CB 3.23Å; Q397-T401 PolarHBondContact O-N 3.49Å; Q397-T401 PolarHBondContact O-OG1 2.8Å; Q397-T401 VanDerWaalsContact O-OG1 3.08Å; T401-A403 VanDerWaalsContact C-N 3.3Å; T401-A403 PolarHBondContact O-N 3.21Å; T401-N404 PolarHBondContact O-N 3.33Å; T401-N404 VanDerWaalsContact O-N 3.17Å; T401-N404 PolarHBondContact O-OD1 2.94Å
402S90.2Very high90Very high13 Ų1375.1 Ų75.19%0.09139%0.386CS..Hα-helixtrans-70.8-22.518058.20000114.3P309 Q313 R398 V399 N404P309-S402 VanDerWaalsContact CB-O 3.28Å; P309-S402 WeakPolarHBondContact CB-O 3.36Å; Q313-S402 WeakPolarHBondContact CG-OG 3.41Å; R398-S402 VanDerWaalsContact O-CB 3.28Å; R398-S402 WeakPolarHBondContact O-CB 3.39Å; R398-S402 PolarHBondContact O-N 3.15Å; R398-S402 PolarHBondContact O-OG 2.89Å; V399-S402 WeakPolarHBondContact CA-OG 3.43Å; V399-S402 PolarHBondContact O-N 3.02Å; V399-S402 PolarHBondContact O-OG 2.81Å; S402-N404 VanDerWaalsContact C-N 3.32Å
403A90.2Very high89.6Confident52 Ų5276 Ų7643%0.4339%0.385SS..THydrogen-bonded Turntrans-88.73.5174.100000113.1V399 L400 T401 V405V399-A403 WeakPolarHBondContact O-CB 3.3Å; V399-A403 PolarHBondContact O-N 2.61Å; L400-A403 PolarHBondContact O-N 3.05Å; T401-A403 VanDerWaalsContact C-N 3.3Å; T401-A403 PolarHBondContact O-N 3.21Å; A403-V405 HydrophobicContact CB-CG2 3.92Å; A403-V405 PolarHBondContact O-N 3Å
404N86Confident89.4Confident142 Ų14280.3 Ų80.376%0.75940%0.402SS*.THydrogen-bonded Turntrans5136.7-176.3-66.4-31.7000113.1L400 T401 S402 Q406L400-N404 PolarHBondContact O-N 3.12Å; T401-N404 PolarHBondContact O-N 3.33Å; T401-N404 VanDerWaalsContact O-N 3.17Å; T401-N404 PolarHBondContact O-OD1 2.94Å; S402-N404 VanDerWaalsContact C-N 3.32Å; N404-Q406 PolarHBondContact O-N 3.17Å
405V88.6Confident89.3Confident71 Ų7178.6 Ų78.643%0.4340%0.395SS..  trans-70.8121.4176.9-178.70000108.2L400 A403 M407L400-V405 HydrophobicContact CD2-CB 4.19Å; L400-V405 HydrophobicContact CD2-CG1 4.29Å; L400-V405 HydrophobicContact CD2-CG2 4.18Å; L400-V405 PolarHBondContact O-N 3Å; L400-V405 VanDerWaalsContact O-N 3.13Å; A403-V405 HydrophobicContact CB-CG2 3.92Å; A403-V405 PolarHBondContact O-N 3Å; V405-M407 HydrophobicContact CG1-CG 4.29Å; V405-M407 HydrophobicContact CG1-SD 3.64Å; V405-M407 PolarHBondContact O-N 2.87Å; V405-M407 VanDerWaalsContact O-N 3.15Å
406Q87.1Confident89.1Confident192 Ų19282.2 Ų82.290%0.89741%0.411SS*.  trans-65.8114.1175.1-68.2-175.9-5.300109.6N404N404-Q406 PolarHBondContact O-N 3.17Å
407M84.1Confident89Confident68 Ų6881.3 Ų81.334%0.33540%0.402SS..  trans-119.8153.4176.8-60.8-53.1-71.900109.6V405 F411 I412V405-M407 HydrophobicContact CG1-CG 4.29Å; V405-M407 HydrophobicContact CG1-SD 3.64Å; V405-M407 PolarHBondContact O-N 2.87Å; V405-M407 VanDerWaalsContact O-N 3.15Å; M407-F411 HydrophobicContact CB-CD1 4.13Å; M407-F411 HydrophobicContact CE-CD1 3.2Å; M407-F411 HydrophobicContact CE-CE1 3.2Å; M407-F411 HydrophobicContact CE-CG 3.9Å; M407-F411 HydrophobicContact CE-CZ 3.95Å; M407-F411 HydrophobicContact CG-CD1 4.19Å; M407-I412 HydrophobicContact CB-CD1 4.11Å; M407-I412 HydrophobicContact CB-CG1 3.79Å
408T89.1Confident89.1Confident95 Ų9581.3 Ų81.358%0.58341%0.405SS*.  trans-66.7144.4173.361.50000110.2F410 F411 I412T408-F410 PolarHBondContact O-N 3.3Å; T408-F411 WeakPolarHBondContact O-CB 3.43Å; T408-F411 PolarHBondContact O-N 2.91Å; T408-F411 WeakPolarHBondContact OG1-CB 3.48Å; T408-F411 PolarHBondContact OG1-N 3.09Å; T408-I412 PolarHBondContact O-N 3.27Å
409W82.5Confident89.2Confident218 Ų21880.3 Ų80.383%0.82640%0.401SS*.Hα-helixtrans-53.7-38.7177.7-67.5109.5000112.8F411 I412 D413W409-F411 VanDerWaalsContact C-N 3.32Å; W409-F411 PolarHBondContact O-N 3.01Å; W409-I412 HydrophobicContact CE3-CD1 4.48Å; W409-I412 PolarHBondContact O-N 3.27Å; W409-D413 WeakPolarHBondContact O-CB 3.45Å; W409-D413 PolarHBondContact O-N 2.76Å
410F87.5Confident89.2Confident163 Ų16379.4 Ų79.472%0.71540%0.399SS*.Hα-helixtrans-58.9-41.8175.1179.3-95.9000112.6T408 F414T408-F410 PolarHBondContact O-N 3.3Å; F410-F414 VanDerWaalsContact O-CB 3.23Å; F410-F414 WeakPolarHBondContact O-CB 3.33Å; F410-F414 PolarHBondContact O-N 3.22Å
411F90.3Very high89.2Confident65 Ų6581.8 Ų81.829%0.28541%0.408SS..Hα-helixtrans-71.8-38.3179.4-175.2-96.8000112L400 M407 T408 W409 L415L400-F411 HydrophobicContact CD1-CE1 3.91Å; M407-F411 HydrophobicContact CB-CD1 4.13Å; M407-F411 HydrophobicContact CE-CD1 3.2Å; M407-F411 HydrophobicContact CE-CE1 3.2Å; M407-F411 HydrophobicContact CE-CG 3.9Å; M407-F411 HydrophobicContact CE-CZ 3.95Å; M407-F411 HydrophobicContact CG-CD1 4.19Å; T408-F411 WeakPolarHBondContact O-CB 3.43Å; T408-F411 PolarHBondContact O-N 2.91Å; T408-F411 WeakPolarHBondContact OG1-CB 3.48Å; T408-F411 PolarHBondContact OG1-N 3.09Å; W409-F411 VanDerWaalsContact C-N 3.32Å; W409-F411 PolarHBondContact O-N 3.01Å; F411-L415 HydrophobicContact CD1-CD1 3.76Å; F411-L415 HydrophobicContact CD1-CG 4.08Å; F411-L415 HydrophobicContact CE1-CD1 3.09Å; F411-L415 HydrophobicContact CE1-CD2 4.48Å; F411-L415 HydrophobicContact CE1-CG 3.66Å; F411-L415 HydrophobicContact CE2-CG 4.32Å; F411-L415 HydrophobicContact CZ-CD1 3.56Å; F411-L415 HydrophobicContact CZ-CD2 4.17Å; F411-L415 HydrophobicContact CZ-CG 3.79Å; F411-L415 WeakPolarHBondContact O-CB 3.37Å; F411-L415 WeakPolarHBondContact O-CG 3.44Å; F411-L415 PolarHBondContact O-N 3.43Å
412I87Confident89.6Confident71 Ų7179 Ų7936%0.36439%0.389SS..Hα-helixtrans-62.7-49.8174.9-62.8170.7000110.1M407 T408 W409 F414 L415 F416M407-I412 HydrophobicContact CB-CD1 4.11Å; M407-I412 HydrophobicContact CB-CG1 3.79Å; T408-I412 PolarHBondContact O-N 3.27Å; W409-I412 HydrophobicContact CE3-CD1 4.48Å; W409-I412 PolarHBondContact O-N 3.27Å; I412-F414 PolarHBondContact O-N 2.96Å; I412-L415 PolarHBondContact O-N 3.45Å; I412-F416 WeakPolarHBondContact O-CB 3.32Å; I412-F416 PolarHBondContact O-N 2.88Å
413D86.3Confident89.8Confident59 Ų5978.8 Ų78.832%0.31639%0.387SS..Hα-helixtrans-59.7-47178.6-164.347.3000110.6R33 W409 F416 Y417R33-D413 IonicContact NH1-OD2 2.8Å; R33-D413 PolarHBondContact NH1-OD2 3.5Å; R33-D413 VanDerWaalsContact NH1-OD2 3.15Å; W409-D413 WeakPolarHBondContact O-CB 3.45Å; W409-D413 PolarHBondContact O-N 2.76Å; D413-F416 PolarHBondContact O-N 3.19Å; D413-Y417 VanDerWaalsContact CG-CE2 3.44Å; D413-Y417 WeakPolarHBondContact O-CD2 3.45Å; D413-Y417 PolarHBondContact O-N 2.78Å; D413-Y417 WeakPolarHBondContact OD1-CE2 3.42Å; D413-Y417 PolarHBondContact OD1-OH 3.01Å
414F90.3Very high90Very high109 Ų10976.6 Ų76.648%0.47837%0.368SS..Hα-helixtrans-60.6-49.5176.2175.4-100.9000112.7F410 I412 F416 Y417 V418F410-F414 VanDerWaalsContact O-CB 3.23Å; F410-F414 WeakPolarHBondContact O-CB 3.33Å; F410-F414 PolarHBondContact O-N 3.22Å; I412-F414 PolarHBondContact O-N 2.96Å; F414-F416 VanDerWaalsContact C-N 3.3Å; F414-F416 PolarHBondContact O-N 3.17Å; F414-Y417 PolarHBondContact O-N 3.35Å; F414-V418 HydrophobicContact CD1-CG2 4.38Å; F414-V418 HydrophobicContact CD2-CG2 4.01Å; F414-V418 HydrophobicContact CE1-CG2 4.01Å; F414-V418 HydrophobicContact CE2-CG2 3.61Å; F414-V418 HydrophobicContact CG-CG2 4.4Å; F414-V418 HydrophobicContact CZ-CG2 3.62Å; F414-V418 WeakPolarHBondContact O-CB 3.25Å; F414-V418 WeakPolarHBondContact O-CG2 2.92Å; F414-V418 PolarHBondContact O-N 3.44Å
415L91.8Very high90.4Very high13 Ų1372.2 Ų72.27%0.06834%0.343CS..Hα-helixtrans-61.4-40.2178.4-84.5-171.2000111.6L396 L400 F411 I412 S419L396-L415 HydrophobicContact CD2-CD2 4.4Å; L400-L415 HydrophobicContact CD1-CD1 3.8Å; F411-L415 HydrophobicContact CD1-CD1 3.76Å; F411-L415 HydrophobicContact CD1-CG 4.08Å; F411-L415 HydrophobicContact CE1-CD1 3.09Å; F411-L415 HydrophobicContact CE1-CD2 4.48Å; F411-L415 HydrophobicContact CE1-CG 3.66Å; F411-L415 HydrophobicContact CE2-CG 4.32Å; F411-L415 HydrophobicContact CZ-CD1 3.56Å; F411-L415 HydrophobicContact CZ-CD2 4.17Å; F411-L415 HydrophobicContact CZ-CG 3.79Å; F411-L415 WeakPolarHBondContact O-CB 3.37Å; F411-L415 WeakPolarHBondContact O-CG 3.44Å; F411-L415 PolarHBondContact O-N 3.43Å; I412-L415 PolarHBondContact O-N 3.45Å; L415-S419 WeakPolarHBondContact O-CB 3.36Å; L415-S419 PolarHBondContact O-N 3Å; L415-S419 PolarHBondContact O-OG 2.76Å
416F89.7Confident90.7Very high90 Ų9069.1 Ų69.140%0.39532%0.324SS..Hα-helixtrans-57.6-52.3179.3-179.7-92.4000111.3I412 D413 F414 S419 G420I412-F416 WeakPolarHBondContact O-CB 3.32Å; I412-F416 PolarHBondContact O-N 2.88Å; D413-F416 PolarHBondContact O-N 3.19Å; F414-F416 VanDerWaalsContact C-N 3.3Å; F414-F416 PolarHBondContact O-N 3.17Å; F416-S419 PolarHBondContact O-N 3.09Å; F416-G420 PolarHBondContact O-N 2.9Å
417Y90.2Very high91.1Very high62 Ų6260 Ų6024%0.24328%0.282CS..Hα-helixtrans-70.9-40.9-178.8-63.1-59.6000113.4I37 D413 F414 S419 G420 F421I37-Y417 HydrophobicContact CD1-CD1 3.66Å; I37-Y417 HydrophobicContact CD1-CE1 3.6Å; D413-Y417 VanDerWaalsContact CG-CE2 3.44Å; D413-Y417 WeakPolarHBondContact O-CD2 3.45Å; D413-Y417 PolarHBondContact O-N 2.78Å; D413-Y417 WeakPolarHBondContact OD1-CE2 3.42Å; D413-Y417 PolarHBondContact OD1-OH 3.01Å; F414-Y417 PolarHBondContact O-N 3.35Å; Y417-S419 VanDerWaalsContact C-N 3.31Å; Y417-S419 PolarHBondContact O-N 3.19Å; Y417-G420 PolarHBondContact O-N 2.69Å; Y417-F421 WeakPolarHBondContact O-CB 3.18Å; Y417-F421 PolarHBondContact O-N 3.13Å
418V93.6Very high91.5Very high42 Ų4257 Ų5726%0.25527%0.267SS..Hα-helixtrans-64-40.9177.7169.60000110.6P393 F414 L422P393-V418 HydrophobicContact CB-CG1 4.33Å; P393-V418 HydrophobicContact CG-CG1 4.34Å; F414-V418 HydrophobicContact CD1-CG2 4.38Å; F414-V418 HydrophobicContact CD2-CG2 4.01Å; F414-V418 HydrophobicContact CE1-CG2 4.01Å; F414-V418 HydrophobicContact CE2-CG2 3.61Å; F414-V418 HydrophobicContact CG-CG2 4.4Å; F414-V418 HydrophobicContact CZ-CG2 3.62Å; F414-V418 WeakPolarHBondContact O-CB 3.25Å; F414-V418 WeakPolarHBondContact O-CG2 2.92Å; F414-V418 PolarHBondContact O-N 3.44Å; V418-L422 HydrophobicContact CG1-CD1 3.73Å; V418-L422 HydrophobicContact CG1-CG 4.45Å; V418-L422 VanDerWaalsContact O-CB 3.3Å; V418-L422 WeakPolarHBondContact O-CB 3.45Å; V418-L422 WeakPolarHBondContact O-CG 3.42Å; V418-L422 PolarHBondContact O-N 2.91Å
419S94.7Very high91.7Very high2 Ų253.6 Ų53.61%0.01425%0.247CC..Hα-helixtrans-62.6-50175.4-60.40000111.2P393 F394 Q397 L415 F416 Y417 F421 L422 Y423P393-S419 WeakPolarHBondContact CB-OG 3.32Å; P393-S419 PolarHBondContact O-OG 2.96Å; F394-S419 PolarHBondContact N-OG 3.09Å; Q397-S419 PolarHBondContact OE1-OG 3.2Å; L415-S419 WeakPolarHBondContact O-CB 3.36Å; L415-S419 PolarHBondContact O-N 3Å; L415-S419 PolarHBondContact O-OG 2.76Å; F416-S419 PolarHBondContact O-N 3.09Å; Y417-S419 VanDerWaalsContact C-N 3.31Å; Y417-S419 PolarHBondContact O-N 3.19Å; S419-F421 PolarHBondContact O-N 3.31Å; S419-L422 PolarHBondContact O-N 3.25Å; S419-Y423 WeakPolarHBondContact O-CB 3.44Å; S419-Y423 PolarHBondContact O-N 3.29Å
420G92.6Very high91.8Very high15 Ų1543.7 Ų43.716%0.15521%0.21CC..Hα-helixtrans-58-47.8177.500000112.8F416 Y417 Y424F416-G420 PolarHBondContact O-N 2.9Å; Y417-G420 PolarHBondContact O-N 2.69Å; G420-Y424 VanDerWaalsContact O-CD2 3.26Å; G420-Y424 WeakPolarHBondContact O-CD2 3.46Å; G420-Y424 PolarHBondContact O-N 3.33Å
421F93.9Very high91.9Very high82 Ų8236.5 Ų36.536%0.3618%0.179SC..Hα-helixtrans-57.7-54.8176.8170.8-109000112.5V40 I44 Y417 S419 Y423 Y424 M425V40-F421 HydrophobicContact CG1-CD2 3.36Å; V40-F421 HydrophobicContact CG1-CE2 3.5Å; V40-F421 VanDerWaalsContact CG1-CE2 3.5Å; I44-F421 HydrophobicContact CD1-CD2 3.82Å; I44-F421 HydrophobicContact CD1-CE2 3.88Å; Y417-F421 WeakPolarHBondContact O-CB 3.18Å; Y417-F421 PolarHBondContact O-N 3.13Å; S419-F421 PolarHBondContact O-N 3.31Å; F421-Y423 VanDerWaalsContact C-N 3.35Å; F421-Y423 PolarHBondContact O-N 2.99Å; F421-Y424 PolarHBondContact O-N 2.9Å; F421-M425 HydrophobicContact CZ-CG 4.43Å; F421-M425 WeakPolarHBondContact O-CB 3.31Å; F421-M425 PolarHBondContact O-N 2.96Å
422L95.7Very high91.9Very high34 Ų3437.1 Ų37.118%0.17819%0.185CC..Hα-helixtrans-68.2-36.3-175.6-77.2175.9000112.2C390 P393 V418 S419 Y424 M425 S426C390-L422 VanDerWaalsContact CB-O 3.29Å; C390-L422 WeakPolarHBondContact CB-O 3.38Å; C390-L422 CarbonylContact O-C 3.59Å; C390-L422 VanDerWaalsContact O-C 3.28Å; C390-L422 VanDerWaalsContact O-CB 3.3Å; C390-L422 WeakPolarHBondContact O-CB 3.47Å; P393-L422 HydrophobicContact CG-CD1 3.74Å; V418-L422 HydrophobicContact CG1-CD1 3.73Å; V418-L422 HydrophobicContact CG1-CG 4.45Å; V418-L422 VanDerWaalsContact O-CB 3.3Å; V418-L422 WeakPolarHBondContact O-CB 3.45Å; V418-L422 WeakPolarHBondContact O-CG 3.42Å; V418-L422 PolarHBondContact O-N 2.91Å; S419-L422 PolarHBondContact O-N 3.25Å; L422-Y424 PolarHBondContact O-N 2.92Å; L422-M425 PolarHBondContact O-N 3.09Å; L422-S426 PolarHBondContact O-N 3.29Å; L422-S426 VanDerWaalsContact O-N 3.16Å
423Y94.8Very high92Very high9 Ų934.9 Ų34.94%0.03517%0.174CC..Hα-helixtrans-54.9-53.1175.6175.7-81.3000111.3L83 T116 P120 C390 W391 F394 S419 F421 S426L83-Y423 HydrophobicContact CD1-CE1 3.92Å; L83-Y423 HydrophobicContact CD2-CE1 3.99Å; L83-Y423 HydrophobicContact CG-CE1 4.41Å; T116-Y423 PolarHBondContact O-OH 2.98Å; P120-Y423 HydrophobicContact CG-CE2 4.2Å; P120-Y423 WeakPolarHBondContact CG-OH 3.5Å; C390-Y423 PolarHBondContact O-N 3.36Å; W391-Y423 HydrophobicContact CE3-CD2 4.11Å; W391-Y423 HydrophobicContact CE3-CE2 4.31Å; W391-Y423 HydrophobicContact CH2-CD1 4.45Å; W391-Y423 AromaticContact CH2-CD2 3.34Å; W391-Y423 HydrophobicContact CH2-CD2 3.34Å; W391-Y423 HydrophobicContact CH2-CE1 4.26Å; W391-Y423 AromaticContact CH2-CE2 3.13Å; W391-Y423 HydrophobicContact CH2-CE2 3.13Å; W391-Y423 HydrophobicContact CH2-CG 4.01Å; W391-Y423 AromaticContact CH2-CZ 3.58Å; W391-Y423 HydrophobicContact CZ2-CD2 4.36Å; W391-Y423 HydrophobicContact CZ2-CE2 4.39Å; W391-Y423 AromaticContact CZ3-CD2 3.28Å; W391-Y423 HydrophobicContact CZ3-CD2 3.28Å; W391-Y423 AromaticContact CZ3-CE2 3.14Å; W391-Y423 HydrophobicContact CZ3-CE2 3.14Å; W391-Y423 HydrophobicContact CZ3-CG 4.31Å; F394-Y423 HydrophobicContact CB-CD2 4.35Å; F394-Y423 HydrophobicContact CD1-CD2 4.33Å; F394-Y423 HydrophobicContact CD2-CD2 4.06Å; F394-Y423 HydrophobicContact CD2-CE2 4.45Å; F394-Y423 HydrophobicContact CE1-CE2 4.47Å; F394-Y423 HydrophobicContact CE2-CD2 4.45Å; F394-Y423 HydrophobicContact CE2-CE2 4.4Å; F394-Y423 AromaticContact CG-CD2 3.99Å; F394-Y423 HydrophobicContact CG-CD2 3.99Å; F394-Y423 HydrophobicContact CG-CE2 4.5Å; F394-Y423 HydrophobicContact CZ-CE2 4.41Å; S419-Y423 WeakPolarHBondContact O-CB 3.44Å; S419-Y423 PolarHBondContact O-N 3.29Å; F421-Y423 VanDerWaalsContact C-N 3.35Å; F421-Y423 PolarHBondContact O-N 2.99Å; Y423-S426 WeakPolarHBondContact O-CB 3.26Å; Y423-S426 PolarHBondContact O-N 3.4Å; Y423-S426 PolarHBondContact O-OG 2.83Å
424Y94.8Very high91.8Very high7 Ų732.1 Ų32.13%0.02716%0.159CC..Hα-helixtrans-77.6-30.6179.8-69.8-72000113.2Y41 L83 L88 E91 G420 F421 L422 S426 A427Y41-Y424 HydrophobicContact CE1-CD2 4.42Å; L83-Y424 HydrophobicContact CD1-CE1 4.21Å; L83-Y424 HydrophobicContact CD2-CD1 4.48Å; L83-Y424 HydrophobicContact CG-CD1 4.3Å; L83-Y424 HydrophobicContact CG-CE1 4.21Å; L88-Y424 HydrophobicContact CB-CD1 3.97Å; L88-Y424 HydrophobicContact CB-CE1 3.74Å; L88-Y424 HydrophobicContact CD1-CD1 3.8Å; L88-Y424 HydrophobicContact CD1-CD2 3.66Å; L88-Y424 HydrophobicContact CD1-CE1 3.89Å; L88-Y424 HydrophobicContact CD1-CE2 3.79Å; L88-Y424 HydrophobicContact CD1-CG 3.68Å; L88-Y424 HydrophobicContact CG-CD1 4.33Å; L88-Y424 HydrophobicContact CG-CE1 4.39Å; E91-Y424 HydrophobicContact CB-CE2 4.14Å; E91-Y424 WeakPolarHBondContact CB-OH 3.44Å; E91-Y424 HydrophobicContact CG-CE2 3.96Å; G420-Y424 VanDerWaalsContact O-CD2 3.26Å; G420-Y424 WeakPolarHBondContact O-CD2 3.46Å; G420-Y424 PolarHBondContact O-N 3.33Å; F421-Y424 PolarHBondContact O-N 2.9Å; L422-Y424 PolarHBondContact O-N 2.92Å; Y424-S426 PolarHBondContact O-N 3.01Å; Y424-S426 VanDerWaalsContact O-N 3.16Å; Y424-A427 WeakPolarHBondContact O-CB 3.45Å; Y424-A427 PolarHBondContact O-N 3.11Å; Y424-A427 VanDerWaalsContact O-N 3.15Å
425M94.7Very high91.5Very high49 Ų4929.2 Ų29.224%0.24115%0.152CC..Hα-helixtrans-59.3-27.1175.5-172.759.5-16600112I44 F421 L422 A427 T428 V429I44-M425 HydrophobicContact CD1-CB 4.32Å; I44-M425 HydrophobicContact CD1-SD 4.49Å; I44-M425 HydrophobicContact CG1-SD 4.11Å; F421-M425 HydrophobicContact CZ-CG 4.43Å; F421-M425 WeakPolarHBondContact O-CB 3.31Å; F421-M425 PolarHBondContact O-N 2.96Å; L422-M425 PolarHBondContact O-N 3.09Å; M425-A427 PolarHBondContact O-N 3.32Å; M425-T428 HydrophobicContact CE-CG2 4Å; M425-T428 PolarHBondContact O-N 3.44Å; M425-T428 HydrophobicContact SD-CG2 4.31Å; M425-V429 HydrophobicContact CE-CG2 3.98Å; M425-V429 HydrophobicContact CG-CG2 4.21Å; M425-V429 WeakPolarHBondContact O-CG2 3.33Å; M425-V429 PolarHBondContact O-N 3.41Å; M425-V429 VanDerWaalsContact O-N 3.17Å
426S94.1Very high91.1Very high6 Ų634.4 Ų34.44%0.04218%0.179CC..Hα-helixtrans-52.8-36.4175.774.60000113.5W391 L422 Y423 Y424 T428W391-S426 WeakPolarHBondContact CZ2-OG 3.49Å; W391-S426 VanDerWaalsContact NE1-CB 3.34Å; W391-S426 PolarHBondContact NE1-OG 3.34Å; L422-S426 PolarHBondContact O-N 3.29Å; L422-S426 VanDerWaalsContact O-N 3.16Å; Y423-S426 WeakPolarHBondContact O-CB 3.26Å; Y423-S426 PolarHBondContact O-N 3.4Å; Y423-S426 PolarHBondContact O-OG 2.83Å; Y424-S426 PolarHBondContact O-N 3.01Å; Y424-S426 VanDerWaalsContact O-N 3.16Å; S426-T428 VanDerWaalsContact C-N 3.34Å; S426-T428 PolarHBondContact O-N 2.93Å
427A94.6Very high90.7Very high0 Ų033.6 Ų33.60%018%0.177CC..Hα-helixtrans-69.6-29.9178.800000112.7N52 D80 L84 Y424 M425N52-A427 PolarHBondContact ND2-O 2.88Å; D80-A427 HydrophobicContact CB-CB 3.86Å; L84-A427 HydrophobicContact CD1-CB 3.85Å; L84-A427 HydrophobicContact CD2-CB 4.04Å; L84-A427 HydrophobicContact CG-CB 3.88Å; Y424-A427 WeakPolarHBondContact O-CB 3.45Å; Y424-A427 PolarHBondContact O-N 3.11Å; Y424-A427 VanDerWaalsContact O-N 3.15Å; M425-A427 PolarHBondContact O-N 3.32Å
428T94.1Very high90.4Very high5 Ų532.1 Ų32.13%0.03118%0.176CC..Hα-helixtrans-82.1-31.6-179.9-62.90000112.3I44 T47 G48 M425 S426 N430 I432I44-T428 PolarHBondContact O-OG1 3.41Å; T47-T428 WeakPolarHBondContact OG1-CG2 3.44Å; T47-T428 PolarHBondContact OG1-OG1 2.95Å; G48-T428 WeakPolarHBondContact CA-OG1 3.31Å; G48-T428 PolarHBondContact N-OG1 3.46Å; M425-T428 HydrophobicContact CE-CG2 4Å; M425-T428 PolarHBondContact O-N 3.44Å; M425-T428 HydrophobicContact SD-CG2 4.31Å; S426-T428 VanDerWaalsContact C-N 3.34Å; S426-T428 PolarHBondContact O-N 2.93Å; T428-N430 VanDerWaalsContact C-N 3.31Å; T428-N430 PolarHBondContact O-N 3.18Å; T428-I432 HydrophobicContact CG2-CD1 3.86Å; T428-I432 WeakPolarHBondContact O-CD1 3.29Å; T428-I432 WeakPolarHBondContact O-CG1 3.37Å
429V92.5Very high89.8Confident25 Ų2532.6 Ų32.615%0.15218%0.184CC..Hα-helixtrans-66.3-34-176.5175.90000112.1A386 M425 I432 L433A386-V429 HydrophobicContact CB-CG1 3.63Å; M425-V429 HydrophobicContact CE-CG2 3.98Å; M425-V429 HydrophobicContact CG-CG2 4.21Å; M425-V429 WeakPolarHBondContact O-CG2 3.33Å; M425-V429 PolarHBondContact O-N 3.41Å; M425-V429 VanDerWaalsContact O-N 3.17Å; V429-I432 PolarHBondContact O-N 2.92Å; V429-L433 HydrophobicContact CG1-CD1 3.56Å; V429-L433 HydrophobicContact CG1-CG 3.76Å; V429-L433 WeakPolarHBondContact O-CG 3.38Å; V429-L433 PolarHBondContact O-N 3.41Å
430N85.6Confident89.3Confident10 Ų1037.7 Ų37.75%0.05320%0.203CC..Hα-helixtrans-57.2-59.6-174.6-73.7-22.6000113.1L76 D80 T428 I432 L433 Y434L76-N430 HydrophobicContact CD2-CB 4.43Å; D80-N430 PolarHBondContact OD2-ND2 2.97Å; T428-N430 VanDerWaalsContact C-N 3.31Å; T428-N430 PolarHBondContact O-N 3.18Å; N430-I432 VanDerWaalsContact C-N 3.29Å; N430-I432 PolarHBondContact O-N 3.47Å; N430-L433 PolarHBondContact O-N 3.06Å; N430-Y434 HydrophobicContact CB-CE2 3.99Å; N430-Y434 WeakPolarHBondContact O-CD2 3.29Å; N430-Y434 VanDerWaalsContact O-CE2 3.28Å; N430-Y434 WeakPolarHBondContact O-CE2 3.42Å; N430-Y434 PolarHBondContact O-N 3.19Å
431P89.8Confident89Confident11 Ų1137.2 Ų37.27%0.07120%0.197CC..Hα-helixtrans-57.6-36.6176.1-26.233.8000114.6N52 Y434 S435N52-P431 HydrophobicContact CB-CG 4.41Å; N52-P431 WeakPolarHBondContact OD1-CG 3.42Å; P431-Y434 PolarHBondContact O-N 3.48Å; P431-S435 WeakPolarHBondContact O-CB 3.4Å; P431-S435 PolarHBondContact O-N 3.38Å; P431-S435 PolarHBondContact O-OG 3.46Å
432I89.6Confident88.8Confident79 Ų7939 Ų3941%0.40520%0.201SC..Hα-helixtrans-62.5-47.9179-64.9173.3000109.6T428 V429 N430 Y434 S435 L436T428-I432 HydrophobicContact CG2-CD1 3.86Å; T428-I432 WeakPolarHBondContact O-CD1 3.29Å; T428-I432 WeakPolarHBondContact O-CG1 3.37Å; V429-I432 PolarHBondContact O-N 2.92Å; N430-I432 VanDerWaalsContact C-N 3.29Å; N430-I432 PolarHBondContact O-N 3.47Å; I432-Y434 VanDerWaalsContact C-N 3.35Å; I432-Y434 PolarHBondContact O-N 3.37Å; I432-S435 PolarHBondContact O-N 3.36Å; I432-S435 PolarHBondContact O-OG 2.99Å; I432-L436 HydrophobicContact CG2-CD1 3.71Å; I432-L436 HydrophobicContact CG2-CG 4.36Å; I432-L436 WeakPolarHBondContact O-CB 3.49Å; I432-L436 VanDerWaalsContact O-CG 3.27Å; I432-L436 WeakPolarHBondContact O-CG 3.45Å; I432-L436 PolarHBondContact O-N 2.79Å
433L87.8Confident88.5Confident24 Ų2445.7 Ų45.713%0.12622%0.224CC..Hα-helixtrans-61.9-41.9178.8-69.8178.9000112.1A382 V383 A386 V429 N430 M437A382-L433 HydrophobicContact CB-CD2 4.08Å; V383-L433 HydrophobicContact CB-CD1 4.16Å; V383-L433 HydrophobicContact CG2-CB 4.16Å; V383-L433 HydrophobicContact CG2-CD1 3.66Å; A386-L433 HydrophobicContact CB-CD1 4.06Å; V429-L433 HydrophobicContact CG1-CD1 3.56Å; V429-L433 HydrophobicContact CG1-CG 3.76Å; V429-L433 WeakPolarHBondContact O-CG 3.38Å; V429-L433 PolarHBondContact O-N 3.41Å; N430-L433 PolarHBondContact O-N 3.06Å; L433-M437 HydrophobicContact CD2-SD 4.23Å; L433-M437 VanDerWaalsContact O-CB 3.26Å; L433-M437 WeakPolarHBondContact O-CB 3.43Å; L433-M437 WeakPolarHBondContact O-CG 3.23Å; L433-M437 PolarHBondContact O-N 3Å
434Y83.3Confident88.1Confident1 Ų145.3 Ų45.30%0.00422%0.223CC..Hα-helixtrans-68.3-42179.5-55.6-43.6000112.8L73 L76 M379 V383 N430 P431 I432 S438L73-Y434 HydrophobicContact CD1-CD1 4.27Å; L73-Y434 HydrophobicContact CD1-CE1 4.34Å; L73-Y434 HydrophobicContact CD1-CG 4.47Å; L73-Y434 HydrophobicContact CD2-CD1 4.28Å; L73-Y434 HydrophobicContact CD2-CE1 3.53Å; L73-Y434 HydrophobicContact CD2-CE2 3.85Å; L73-Y434 WeakPolarHBondContact CD2-OH 3.35Å; L76-Y434 WeakPolarHBondContact CD2-OH 3.35Å; M379-Y434 HydrophobicContact CE-CD1 4.45Å; M379-Y434 HydrophobicContact SD-CD1 4.32Å; V383-Y434 HydrophobicContact CG2-CE1 3.9Å; N430-Y434 HydrophobicContact CB-CE2 3.99Å; N430-Y434 WeakPolarHBondContact O-CD2 3.29Å; N430-Y434 VanDerWaalsContact O-CE2 3.28Å; N430-Y434 WeakPolarHBondContact O-CE2 3.42Å; N430-Y434 PolarHBondContact O-N 3.19Å; P431-Y434 PolarHBondContact O-N 3.48Å; I432-Y434 VanDerWaalsContact C-N 3.35Å; I432-Y434 PolarHBondContact O-N 3.37Å; Y434-S438 WeakPolarHBondContact O-CA 3.33Å; Y434-S438 WeakPolarHBondContact O-CB 3.21Å; Y434-S438 PolarHBondContact O-N 2.97Å
435S83.6Confident87.9Confident48 Ų4848.9 Ų48.934%0.33624%0.239SC..Hα-helixtrans-66.4-38.4179.8600000112.7P431 I432P431-S435 WeakPolarHBondContact O-CB 3.4Å; P431-S435 PolarHBondContact O-N 3.38Å; P431-S435 PolarHBondContact O-OG 3.46Å; I432-S435 PolarHBondContact O-N 3.36Å; I432-S435 PolarHBondContact O-OG 2.99Å
436L84.5Confident87.6Confident121 Ų12149.3 Ų49.363%0.63424%0.241SC*.Hα-helixtrans-73.6-43.6177.6-67.5177.1000112.2I432I432-L436 HydrophobicContact CG2-CD1 3.71Å; I432-L436 HydrophobicContact CG2-CG 4.36Å; I432-L436 WeakPolarHBondContact O-CB 3.49Å; I432-L436 VanDerWaalsContact O-CG 3.27Å; I432-L436 WeakPolarHBondContact O-CG 3.45Å; I432-L436 PolarHBondContact O-N 2.79Å
437M80.3Confident87.4Confident74 Ų7452.2 Ų52.237%0.36526%0.262SS..Hα-helixtrans-104.1-15.8-165-53.5-174.279.100114.5R378 M379 A382 L433R378-M437 HydrophobicContact CB-CE 4.1Å; M379-M437 VanDerWaalsContact CA-SD 3.59Å; M379-M437 HydrophobicContact CB-CB 3.7Å; M379-M437 HydrophobicContact CB-CE 4.06Å; M379-M437 HydrophobicContact CB-CG 4.49Å; M379-M437 HydrophobicContact CB-SD 4.06Å; M379-M437 HydrophobicContact CG-CB 3.56Å; M379-M437 HydrophobicContact CG-CG 4.39Å; M379-M437 HydrophobicContact CG-SD 4.14Å; M379-M437 HydrophobicContact SD-CB 3.92Å; A382-M437 HydrophobicContact CB-CE 4.22Å; A382-M437 HydrophobicContact CB-SD 3.79Å; L433-M437 HydrophobicContact CD2-SD 4.23Å; L433-M437 VanDerWaalsContact O-CB 3.26Å; L433-M437 WeakPolarHBondContact O-CB 3.43Å; L433-M437 WeakPolarHBondContact O-CG 3.23Å; L433-M437 PolarHBondContact O-N 3Å
438S83.2Confident87.2Confident30 Ų3053.2 Ų53.221%0.2127%0.268CS..  trans-106.1101.1178.3-178.60000112.6Y434 R440 F441 R442Y434-S438 WeakPolarHBondContact O-CA 3.33Å; Y434-S438 WeakPolarHBondContact O-CB 3.21Å; Y434-S438 PolarHBondContact O-N 2.97Å; S438-R440 PolarHBondContact O-N 2.8Å; S438-F441 PolarHBondContact O-N 3Å; S438-F441 VanDerWaalsContact O-N 3.11Å; S438-F441 WeakPolarHBondContact OG-CB 3.4Å; S438-F441 PolarHBondContact OG-N 3.38Å; S438-R442 PolarHBondContact O-N 3.3Å
439A82.8Confident87Confident52 Ų5257.5 Ų57.543%0.4329%0.286SS..Hα-helixtrans-61-27.4174.700000113.4R443A439-R443 WeakPolarHBondContact O-CG 3.07Å; A439-R443 PolarHBondContact O-N 2.92Å; A439-R443 PolarHBondContact O-NE 3.4Å
440R84.1Confident86.7Confident109 Ų10965 Ų6541%0.41131%0.311SS..Hα-helixtrans-70.6-45.5174.2-174.4-175.1-174.5141.2-0.3110.7F64 M65 S438 R443 A444F64-R440 HydrophobicContact CE2-CG 4.48Å; F64-R440 PolarHBondContact O-NH2 3.41Å; M65-R440 HydrophobicContact SD-CG 3.9Å; S438-R440 PolarHBondContact O-N 2.8Å; R440-R443 PolarHBondContact O-N 2.02Å; R440-A444 PolarHBondContact O-N 2.93Å; R440-A444 VanDerWaalsContact O-N 3.09Å
441F86.2Confident85.5Confident6 Ų671.8 Ų71.83%0.02635%0.346CS..Hα-helixtrans-63.4-46.1177.9-171-92.3000111T55 V58 M65 S438 R443 A444 F445T55-F441 HydrophobicContact CG2-CE2 3.93Å; T55-F441 HydrophobicContact CG2-CZ 4.03Å; V58-F441 HydrophobicContact CB-CE2 4.47Å; V58-F441 HydrophobicContact CG1-CD2 4.45Å; V58-F441 HydrophobicContact CG1-CE2 4.15Å; V58-F441 HydrophobicContact CG1-CZ 4.49Å; M65-F441 HydrophobicContact CE-CB 4.47Å; M65-F441 HydrophobicContact CE-CD2 3.79Å; S438-F441 PolarHBondContact O-N 3Å; S438-F441 VanDerWaalsContact O-N 3.11Å; S438-F441 WeakPolarHBondContact OG-CB 3.4Å; S438-F441 PolarHBondContact OG-N 3.38Å; F441-R443 VanDerWaalsContact C-N 3.32Å; F441-R443 PolarHBondContact O-N 2.98Å; F441-A444 CarbonylContact O-C 3.58Å; F441-A444 WeakPolarHBondContact O-CB 3.41Å; F441-A444 PolarHBondContact O-N 3.44Å; F441-A444 VanDerWaalsContact O-N 3.09Å; F441-F445 HydrophobicContact CE1-CD2 4.36Å; F441-F445 WeakPolarHBondContact O-CB 3.01Å; F441-F445 PolarHBondContact O-N 3.01Å
442R89Confident83.8Confident119 Ų11980.4 Ų80.445%0.44938%0.383SS..Hα-helixtrans-57.6-41.6176.4-174.2168.363.2-119.67.5112.9S438 F445 I446S438-R442 PolarHBondContact O-N 3.3Å; R442-F445 PolarHBondContact O-N 2.97Å; R442-I446 HydrophobicContact CG-CD1 4Å; R442-I446 WeakPolarHBondContact O-CB 3.46Å; R442-I446 VanDerWaalsContact O-CG1 3.22Å; R442-I446 WeakPolarHBondContact O-CG1 3.47Å; R442-I446 PolarHBondContact O-N 3.41Å
443R88.7Confident81.7Confident175 Ų17585 Ų8566%0.6640%0.403SS*.Hα-helixtrans-62.9-44174.5-77.9-174.3-68.8160.9-2.4112.3A439 R440 F441 I446 S447A439-R443 WeakPolarHBondContact O-CG 3.07Å; A439-R443 PolarHBondContact O-N 2.92Å; A439-R443 PolarHBondContact O-NE 3.4Å; R440-R443 PolarHBondContact O-N 2.02Å; F441-R443 VanDerWaalsContact C-N 3.32Å; F441-R443 PolarHBondContact O-N 2.98Å; R443-I446 PolarHBondContact O-N 3.26Å; R443-S447 PolarHBondContact O-N 3.11Å; R443-S447 PolarHBondContact O-OG 3.41Å
444A88.1Confident79.3Confident0 Ų090.3 Ų90.30%044%0.436CS..Hα-helixtrans-66-39.5177.300000112.3V58 F64 M65 R440 F441 S447 T448V58-A444 HydrophobicContact CG1-CB 3.49Å; V58-A444 VanDerWaalsContact CG1-CB 3.49Å; F64-A444 HydrophobicContact CE2-CB 3.9Å; F64-A444 HydrophobicContact CZ-CB 3.58Å; M65-A444 HydrophobicContact CE-CB 4.14Å; M65-A444 HydrophobicContact CG-CB 3.82Å; M65-A444 HydrophobicContact SD-CB 3.9Å; R440-A444 PolarHBondContact O-N 2.93Å; R440-A444 VanDerWaalsContact O-N 3.09Å; F441-A444 CarbonylContact O-C 3.58Å; F441-A444 WeakPolarHBondContact O-CB 3.41Å; F441-A444 PolarHBondContact O-N 3.44Å; F441-A444 VanDerWaalsContact O-N 3.09Å; A444-S447 WeakPolarHBondContact CA-OG 3.37Å; A444-S447 PolarHBondContact O-N 3.12Å; A444-S447 PolarHBondContact O-OG 3.27Å; A444-T448 WeakPolarHBondContact O-CB 3.28Å; A444-T448 PolarHBondContact O-N 3.38Å; A444-T448 PolarHBondContact O-OG1 3.2Å
445F89.7Confident77Confident83 Ų8398 Ų9836%0.36447%0.469SS..Hα-helixtrans-59.3-51.1174.6-174.5-82.3000110.7A54 V58 F441 R442 S447 T448 F449A54-F445 HydrophobicContact CB-CE2 3.85Å; V58-F445 HydrophobicContact CG2-CB 4.24Å; V58-F445 HydrophobicContact CG2-CD2 4.02Å; V58-F445 HydrophobicContact CG2-CG 4.46Å; F441-F445 HydrophobicContact CE1-CD2 4.36Å; F441-F445 WeakPolarHBondContact O-CB 3.01Å; F441-F445 PolarHBondContact O-N 3.01Å; R442-F445 PolarHBondContact O-N 2.97Å; F445-S447 PolarHBondContact O-N 3.29Å; F445-T448 PolarHBondContact O-N 3.1Å; F445-T448 VanDerWaalsContact O-N 3.15Å; F445-F449 HydrophobicContact CD1-CD2 4.24Å; F445-F449 HydrophobicContact CD2-CD2 4.05Å; F445-F449 HydrophobicContact CD2-CE2 4.07Å; F445-F449 HydrophobicContact CE1-CD2 4.08Å; F445-F449 AromaticContact CE2-CD2 3.9Å; F445-F449 HydrophobicContact CE2-CD2 3.9Å; F445-F449 AromaticContact CE2-CE2 3.86Å; F445-F449 HydrophobicContact CE2-CE2 3.86Å; F445-F449 HydrophobicContact CG-CD2 4.21Å; F445-F449 AromaticContact CZ-CD2 3.91Å; F445-F449 HydrophobicContact CZ-CD2 3.91Å; F445-F449 HydrophobicContact CZ-CE2 4.25Å; F445-F449 WeakPolarHBondContact O-CD2 3.46Å; F445-F449 PolarHBondContact O-N 2.64Å
446I89Confident74.7Confident57 Ų5799.5 Ų99.529%0.29249%0.485SS..Hα-helixtrans-58.9-45.7177.1-72170.5000111.3R442 R443 T448 R450R442-I446 HydrophobicContact CG-CD1 4Å; R442-I446 WeakPolarHBondContact O-CB 3.46Å; R442-I446 VanDerWaalsContact O-CG1 3.22Å; R442-I446 WeakPolarHBondContact O-CG1 3.47Å; R442-I446 PolarHBondContact O-N 3.41Å; R443-I446 PolarHBondContact O-N 3.26Å; I446-T448 PolarHBondContact O-N 3.19Å; I446-R450 VanDerWaalsContact CG2-CD 3.44Å; I446-R450 HydrophobicContact CG2-CG 3.88Å; I446-R450 WeakPolarHBondContact O-CB 3.2Å; I446-R450 VanDerWaalsContact O-CG 3.3Å; I446-R450 WeakPolarHBondContact O-CG 3.07Å; I446-R450 PolarHBondContact O-N 2.91Å
447S88.6Confident72.4Confident68 Ų68101.7 Ų101.748%0.47649%0.492SS..Hα-helixtrans-67.2-24.4179.3630000113.6N62 R443 A444 F445N62-S447 PolarHBondContact OD1-OG 2.92Å; R443-S447 PolarHBondContact O-N 3.11Å; R443-S447 PolarHBondContact O-OG 3.41Å; A444-S447 WeakPolarHBondContact CA-OG 3.37Å; A444-S447 PolarHBondContact O-N 3.12Å; A444-S447 PolarHBondContact O-OG 3.27Å; F445-S447 PolarHBondContact O-N 3.29Å
448T90.3Very high70.2Confident21 Ų21104.5 Ų104.513%0.12951%0.508CS..Hα-helixtrans-82.9-39.5-178.7-54.50000112.4I57 V58 N62 A444 F445 I446I57-T448 HydrophobicContact CG2-CG2 3.91Å; V58-T448 HydrophobicContact CG2-CG2 4.27Å; N62-T448 PolarHBondContact ND2-OG1 3.21Å; A444-T448 WeakPolarHBondContact O-CB 3.28Å; A444-T448 PolarHBondContact O-N 3.38Å; A444-T448 PolarHBondContact O-OG1 3.2Å; F445-T448 PolarHBondContact O-N 3.1Å; F445-T448 VanDerWaalsContact O-N 3.15Å; I446-T448 PolarHBondContact O-N 3.19Å
449F90.2Very high67.9Low94 Ų94109.2 Ų109.241%0.41254%0.536SS..Hα-helixtrans-108.5-9.2-172-66.6-70.9000114.5A54 I57 V58 F445 I451A54-F449 HydrophobicContact CB-CE2 3.98Å; A54-F449 HydrophobicContact CB-CZ 4.07Å; I57-F449 HydrophobicContact CB-CZ 4.41Å; I57-F449 HydrophobicContact CD1-CZ 4.47Å; I57-F449 HydrophobicContact CG2-CZ 4.13Å; V58-F449 HydrophobicContact CG2-CD2 4.35Å; V58-F449 HydrophobicContact CG2-CE2 3.77Å; F445-F449 HydrophobicContact CD1-CD2 4.24Å; F445-F449 HydrophobicContact CD2-CD2 4.05Å; F445-F449 HydrophobicContact CD2-CE2 4.07Å; F445-F449 HydrophobicContact CE1-CD2 4.08Å; F445-F449 AromaticContact CE2-CD2 3.9Å; F445-F449 HydrophobicContact CE2-CD2 3.9Å; F445-F449 AromaticContact CE2-CE2 3.86Å; F445-F449 HydrophobicContact CE2-CE2 3.86Å; F445-F449 HydrophobicContact CG-CD2 4.21Å; F445-F449 AromaticContact CZ-CD2 3.91Å; F445-F449 HydrophobicContact CZ-CD2 3.91Å; F445-F449 HydrophobicContact CZ-CE2 4.25Å; F445-F449 WeakPolarHBondContact O-CD2 3.46Å; F445-F449 PolarHBondContact O-N 2.64Å; F449-I451 PolarHBondContact O-N 3.2Å
450R85.6Confident65.4Low182 Ų182110.8 Ų110.869%0.68754%0.543SS*.SBendtrans-70.7114.3166.5-78.8-170.6176.2158.10.7109.2I446 K452I446-R450 VanDerWaalsContact CG2-CD 3.44Å; I446-R450 HydrophobicContact CG2-CG 3.88Å; I446-R450 WeakPolarHBondContact O-CB 3.2Å; I446-R450 VanDerWaalsContact O-CG 3.3Å; I446-R450 WeakPolarHBondContact O-CG 3.07Å; I446-R450 PolarHBondContact O-N 2.91Å; R450-K452 PolarHBondContact O-N 3.41Å; R450-K452 VanDerWaalsContact O-N 3.15Å
451I61.1Low62.8Low153 Ų153115.4 Ų115.479%0.78556%0.562SS**  trans-53.2118.4160.9-59.5172.9000106.2F449 Q453F449-I451 PolarHBondContact O-N 3.2Å; I451-Q453 VanDerWaalsContact C-N 3.28Å; I451-Q453 PolarHBondContact O-N 2.94Å
452K55Low60.2Low193 Ų193124.1 Ų124.184%0.83961%0.605SS**  trans-61.4100.2164.4-76.4-176.9178.9-179.10105.5R450 T454R450-K452 PolarHBondContact O-N 3.41Å; R450-K452 VanDerWaalsContact O-N 3.15Å; K452-T454 VanDerWaalsContact C-N 3.31Å; K452-T454 PolarHBondContact O-N 3.25Å
453Q43.9Very low57.6Low176 Ų176126 Ų12682%0.82262%0.619SS**  trans-57.4110.6151.2-78-179.8-14.400104.3I451 K455I451-Q453 VanDerWaalsContact C-N 3.28Å; I451-Q453 PolarHBondContact O-N 2.94Å; Q453-K455 PolarHBondContact O-N 3.2Å
454T37.7Very low55Low134 Ų134123.5 Ų123.582%0.82263%0.625SS**  trans-53.796160.829.70000106.2K452 A456K452-T454 VanDerWaalsContact C-N 3.31Å; K452-T454 PolarHBondContact O-N 3.25Å; T454-A456 PolarHBondContact O-N 3.1Å
455K35.7Very low52.5Low163 Ų163130.9 Ų130.971%0.70966%0.663SS**  trans-63.593.2154-97.1-169.9157.8-154.50105.4Q453 D458Q453-K455 PolarHBondContact O-N 3.2Å; K455-D458 IonicContact NZ-OD2 2.92Å; K455-D458 PolarHBondContact NZ-OD2 2.93Å
456A34.9Very low50Low80 Ų80131.8 Ų131.866%0.66168%0.675SS**  trans-56.6135.6141.500000106.3T454T454-A456 PolarHBondContact O-N 3.1Å
457E35.5Very low47.4Very low166 Ų166134.1 Ų134.178%0.77670%0.697SS**  trans74.487.1171.5-54.1174.7-178.700116.2
458D35.5Very low45.1Very low134 Ų134135.6 Ų135.672%0.71770%0.703SS**  -136.2100.2129.2-92.6-45.9000107.1K455K455-D458 IonicContact NZ-OD2 2.92Å; K455-D458 PolarHBondContact NZ-OD2 2.93Å
459V33.6Very low42.4Very low129 Ų129141.8 Ų141.878%0.78274%0.735SS**  trans-70142.6172.61680000109
460S30.9Very low40.1Very low84 Ų84145.7 Ų145.759%0.58775%0.752SS**  trans79.2142.7163.6-1600000117.3
461Y29.4Very low38.6Very low207 Ų207146.3 Ų146.381%0.81278%0.78SS**  trans83.964.6176.9-46.3-72.8000117.9
462M32.2Very low37.5Very low188 Ų188146 Ų14693%0.92678%0.779SS**  trans-141.292.2140-153.8145.7178.500109.8
463H34.5Very low36.6Very low160 Ų160143.5 Ų143.574%0.74178%0.776SS**  trans-56.4139.4169.5-89.9-84.9000110.6I465H463-I465 PolarHBondContact O-N 3.27Å
464P32.8Very low36.2Very low121 Ų121141.7 Ų141.779%0.78677%0.774SS**  trans-77.6120.7171.731.5-28.6000108.4
465I36.4Very low36.1Very low155 Ų155142.2 Ų142.280%0.79577%0.771SS**  trans-103.795.7170.1-62.7-177.2000108.4H463H463-I465 PolarHBondContact O-N 3.27Å
466V38.2Very low36.1Very low102 Ų102140.9 Ų140.962%0.61878%0.775SS**  trans77.489.9137-172.20000117V468V466-V468 HydrophobicContact CG1-CG2 3.42Å; V466-V468 VanDerWaalsContact CG1-CG2 3.42Å
467S33.2Very low36.2Very low107 Ų107144.9 Ų144.975%0.74878%0.782SS**  trans-63.4123.7134.843.30000108.7
468V40Very low36.2Very low99 Ų99143.4 Ų143.460%0.678%0.783SS**  trans-98.5106.1166.3-172.40000106.7V466 F470V466-V468 HydrophobicContact CG1-CG2 3.42Å; V466-V468 VanDerWaalsContact CG1-CG2 3.42Å; V468-F470 HydrophobicContact CG1-CD2 3.62Å; V468-F470 HydrophobicContact CG1-CE2 3.49Å; V468-F470 VanDerWaalsContact CG1-CE2 3.49Å; V468-F470 HydrophobicContact CG1-CZ 4.43Å
469D34.3Very low36.3Very low150 Ų150144.2 Ų144.280%0.80279%0.788SS**  trans-73.4135.4156.9-68.3-43.9000108.2
470F41.4Very low36.5Very low177 Ų177145.4 Ų145.478%0.77679%0.788SS**  trans-115.3149.8159.8-91.7-83000107V468V468-F470 HydrophobicContact CG1-CD2 3.62Å; V468-F470 HydrophobicContact CG1-CE2 3.49Å; V468-F470 VanDerWaalsContact CG1-CE2 3.49Å; V468-F470 HydrophobicContact CG1-CZ 4.43Å
471P55Low37Very low195 Ų195151 Ų151100%1.26681%0.806SS**  trans-60.20-167.126.5-35.1000114.5

Retrieved 471 of 471 residues in 808.5 ms (Link to these results)

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