A0A087YJ85_POEFO Loading...

Transmembrane protein 135

Involved in mitochondrial metabolism by regulating the balance between mitochondrial fusion and fission. May act as a regulator of mitochondrial fission that promotes DNM1L-dependent fission through activation of DNM1L. May be involved in peroxisome organization.

AlphaFold DB , UniProt , Accession A0A087YJ85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 468 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
1M43.6Very low75.1Confident235 Ų23570.4 Ų70.4100%1.15841%0.406SS*.  0-11.60-70.5-164.1-88.300114.6
2A55.4Low76.8Confident50 Ų5065.8 Ų65.841%0.41338%0.377SS..G310 helixtrans-74.2-23.2178.300000115.8L4 S5 P97A2-L4 PolarHBondContact O-N 3.47Å; A2-L4 VanDerWaalsContact O-N 3.17Å; A2-S5 WeakPolarHBondContact O-CB 3.32Å; A2-S5 PolarHBondContact O-N 3.08Å; A2-S5 PolarHBondContact O-OG 3.38Å; A2-P97 VanDerWaalsContact O-CG 3.28Å; A2-P97 WeakPolarHBondContact O-CG 3.46Å
3A53.6Low78.1Confident72 Ų7261 Ų6160%0.59535%0.349SS*.G310 helixtrans-61.6-26.8-175.400000114.6
4L58.2Low79.2Confident148 Ų14856.6 Ų56.678%0.77532%0.324SS*.G310 helixtrans-101.3-3.2178.5-67169.3000112.9A2 K6A2-L4 PolarHBondContact O-N 3.47Å; A2-L4 VanDerWaalsContact O-N 3.17Å; L4-K6 PolarHBondContact O-N 3.36Å
5S72.8Confident80.2Confident41 Ų4153.3 Ų53.329%0.28731%0.307SS..  trans-66.5130.8175.665.30000109.1A2 F431A2-S5 WeakPolarHBondContact O-CB 3.32Å; A2-S5 PolarHBondContact O-N 3.08Å; A2-S5 PolarHBondContact O-OG 3.38Å; S5-F431 WeakPolarHBondContact O-CE1 3.42Å; S5-F431 WeakPolarHBondContact OG-CD1 3.36Å; S5-F431 VanDerWaalsContact OG-CE1 3.24Å; S5-F431 WeakPolarHBondContact OG-CE1 3.35Å
6K85.4Confident81.2Confident95 Ų9550 Ų5041%0.41329%0.288SS..  trans-117.2133.1-173.8174.8-179.1169.9175.50109.1L4 L92 G93 F95 Y96L4-K6 PolarHBondContact O-N 3.36Å; K6-L92 PolarHBondContact NZ-O 3.22Å; K6-L92 VanDerWaalsContact NZ-O 3.08Å; K6-G93 WeakPolarHBondContact CE-O 3.39Å; K6-G93 VanDerWaalsContact NZ-C 3.26Å; K6-G93 PolarHBondContact NZ-O 3.29Å; K6-F95 WeakPolarHBondContact CA-O 3.41Å; K6-Y96 HydrophobicContact CB-CE1 4.15Å; K6-Y96 HydrophobicContact CD-CE2 4.38Å; K6-Y96 HydrophobicContact CG-CE2 4.43Å
7I89.2Confident82Confident12 Ų1247.5 Ų47.56%0.06227%0.274CS..BIsolated β-bridgetrans-99.7121.9172.9-57.4170000108.7H9 I14 G94 F95 L427 L428 V430 F431I7-H9 VanDerWaalsContact C-N 3.27Å; I7-H9 HydrophobicContact CG2-CB 4.22Å; I7-H9 WeakPolarHBondContact CG2-CD2 3.47Å; I7-H9 PolarHBondContact O-N 2.83Å; I7-I14 HydrophobicContact CG2-CD1 4.17Å; I7-G94 WeakPolarHBondContact O-CA 3.3Å; I7-F95 PolarHBondContact N-O 2.85Å; I7-F95 PolarHBondContact O-N 3.49Å; I7-L427 VanDerWaalsContact CD1-O 3.24Å; I7-L427 WeakPolarHBondContact CD1-O 3.03Å; I7-L428 HydrophobicContact CD1-CD2 4.18Å; I7-V430 HydrophobicContact CD1-CG1 3.46Å; I7-V430 VanDerWaalsContact CD1-CG1 3.46Å; I7-V430 HydrophobicContact CG1-CG1 3.73Å; I7-F431 HydrophobicContact CD1-CD2 4.05Å; I7-F431 HydrophobicContact CD1-CE1 4.04Å; I7-F431 HydrophobicContact CD1-CE2 3.28Å; I7-F431 HydrophobicContact CD1-CZ 3.29Å; I7-F431 HydrophobicContact CG1-CE1 4.06Å; I7-F431 HydrophobicContact CG1-CE2 4.1Å; I7-F431 HydrophobicContact CG1-CZ 3.56Å
8P89.4Confident82.7Confident78 Ų7848.3 Ų48.351%0.50627%0.272SS..  trans-83.112.9-17333.7-35.9000114.9T452P8-T452 PolarHBondContact O-OG1 3.2Å
9H91Very high83.4Confident19 Ų1949.3 Ų49.39%0.08827%0.274CS..  trans-73.2160.4-178-66.6-64.6000114I7 E13 I14 R89I7-H9 VanDerWaalsContact C-N 3.27Å; I7-H9 HydrophobicContact CG2-CB 4.22Å; I7-H9 WeakPolarHBondContact CG2-CD2 3.47Å; I7-H9 PolarHBondContact O-N 2.83Å; H9-E13 HydrophobicContact CB-CB 4Å; H9-E13 IonicContact CE1-OE1 3.11Å; H9-E13 IonicContact CG-OE1 2.97Å; H9-E13 IonicContact ND1-OE1 3.89Å; H9-E13 PolarHBondContact ND1-OE1 3.42Å; H9-I14 HydrophobicContact CB-CD1 3.72Å; H9-I14 HydrophobicContact CB-CG1 4.08Å; H9-R89 PolarHBondContact O-NE 2.84Å; H9-R89 PolarHBondContact O-NH2 3.41Å
10S93.2Very high83.9Confident11 Ų1148.8 Ų48.88%0.07727%0.273CS..  trans-72162.4170.970.30000112.7Y12 E13 I14 T452S10-Y12 PolarHBondContact O-N 3.05Å; S10-Y12 PolarHBondContact OG-N 3.22Å; S10-E13 WeakPolarHBondContact CB-OE2 3.24Å; S10-E13 PolarHBondContact N-OE2 3.11Å; S10-E13 PolarHBondContact O-N 3.14Å; S10-E13 WeakPolarHBondContact OG-CG 3.42Å; S10-E13 PolarHBondContact OG-N 2.95Å; S10-E13 VanDerWaalsContact OG-N 3.07Å; S10-E13 PolarHBondContact OG-OE2 2.51Å; S10-I14 PolarHBondContact O-N 2.97Å; S10-T452 PolarHBondContact N-OG1 3.48Å
11C94.6Very high84.5Confident13 Ų1348.8 Ų48.89%0.08828%0.276CS..Hα-helixtrans-67.7-22.8171.243.50000112.4G15 H16 F85 C86 R89 F95C11-G15 WeakPolarHBondContact O-CA 3.46Å; C11-G15 PolarHBondContact O-N 3.23Å; C11-H16 WeakPolarHBondContact CB-NE2 3.2Å; C11-H16 PolarHBondContact O-CD2 3.05Å; C11-H16 VanDerWaalsContact O-CD2 3.32Å; C11-H16 PolarHBondContact O-N 3Å; C11-H16 PolarHBondContact SG-NE2 2.83Å; C11-F85 HydrophobicContact CB-CD1 4.17Å; C11-F85 HydrophobicContact CB-CE1 3.98Å; C11-C86 HydrophobicContact CB-CB 4.46Å; C11-R89 HydrophobicContact CB-CG 4.46Å; C11-F95 HydrophobicContact CB-CZ 4.11Å
12Y95.6Very high87Confident15 Ų1540 Ų406%0.05924%0.237CC..Hα-helixtrans-67.4-46.5170.3174.3-127.3000111.5S10 I14 H16 T17 H19 P20 L446 D447S10-Y12 PolarHBondContact O-N 3.05Å; S10-Y12 PolarHBondContact OG-N 3.22Å; Y12-I14 VanDerWaalsContact C-N 3.27Å; Y12-I14 PolarHBondContact O-N 3.31Å; Y12-H16 WeakPolarHBondContact CD2-O 3.11Å; Y12-H16 PolarHBondContact N-CE1 2.9Å; Y12-T17 VanDerWaalsContact CE2-O 3.28Å; Y12-T17 WeakPolarHBondContact CE2-O 3.46Å; Y12-T17 VanDerWaalsContact O-CA 3.23Å; Y12-T17 WeakPolarHBondContact O-CA 3.36Å; Y12-T17 WeakPolarHBondContact O-CG2 3.39Å; Y12-T17 PolarHBondContact O-N 2.96Å; Y12-H19 WeakPolarHBondContact CD2-O 3.27Å; Y12-P20 HydrophobicContact CD1-CB 4.29Å; Y12-P20 VanDerWaalsContact CD2-CA 3.48Å; Y12-P20 HydrophobicContact CD2-CB 4.23Å; Y12-P20 HydrophobicContact CE1-CB 4.35Å; Y12-P20 HydrophobicContact CE2-CB 4.3Å; Y12-P20 HydrophobicContact CG-CB 4.23Å; Y12-L446 HydrophobicContact CD1-CD2 4.3Å; Y12-L446 HydrophobicContact CD2-CD2 4.41Å; Y12-L446 HydrophobicContact CE1-CB 4.05Å; Y12-L446 HydrophobicContact CE1-CD2 3.86Å; Y12-L446 HydrophobicContact CE2-CD2 3.98Å; Y12-L446 WeakPolarHBondContact OH-CA 3.37Å; Y12-D447 PolarHBondContact OH-N 3.29Å
13E93.9Very high89Confident4 Ų443 Ų432%0.01925%0.25CS..Hα-helixtrans-64.4-27.6-179.3-77.5161.499.400113.8H9 S10 N424 L446 T451 T452H9-E13 HydrophobicContact CB-CB 4Å; H9-E13 IonicContact CE1-OE1 3.11Å; H9-E13 IonicContact CG-OE1 2.97Å; H9-E13 IonicContact ND1-OE1 3.89Å; H9-E13 PolarHBondContact ND1-OE1 3.42Å; S10-E13 WeakPolarHBondContact CB-OE2 3.24Å; S10-E13 PolarHBondContact N-OE2 3.11Å; S10-E13 PolarHBondContact O-N 3.14Å; S10-E13 WeakPolarHBondContact OG-CG 3.42Å; S10-E13 PolarHBondContact OG-N 2.95Å; S10-E13 VanDerWaalsContact OG-N 3.07Å; S10-E13 PolarHBondContact OG-OE2 2.51Å; E13-N424 WeakPolarHBondContact O-CB 3.39Å; E13-N424 PolarHBondContact O-ND2 3.3Å; E13-L446 HydrophobicContact CB-CD1 4.2Å; E13-L446 HydrophobicContact CG-CD1 3.86Å; E13-T451 HydrophobicContact CG-CG2 4.06Å; E13-T452 PolarHBondContact OE1-N 3.17Å; E13-T452 PolarHBondContact OE1-OG1 2.72Å; E13-T452 PolarHBondContact OE2-N 3.12Å; E13-T452 PolarHBondContact OE2-OG1 3.41Å
14I93.6Very high91.1Very high0 Ų043.6 Ų43.60%024%0.24CC..Hα-helixtrans-109.9-53.6-176.1-67.1170.8000113I7 H9 S10 Y12 F85 F95 M423 N424 L427 L428I7-I14 HydrophobicContact CG2-CD1 4.17Å; H9-I14 HydrophobicContact CB-CD1 3.72Å; H9-I14 HydrophobicContact CB-CG1 4.08Å; S10-I14 PolarHBondContact O-N 2.97Å; Y12-I14 VanDerWaalsContact C-N 3.27Å; Y12-I14 PolarHBondContact O-N 3.31Å; I14-F85 HydrophobicContact CG2-CZ 4Å; I14-F95 HydrophobicContact CB-CE2 4.19Å; I14-F95 HydrophobicContact CD1-CD2 3.39Å; I14-F95 HydrophobicContact CD1-CE2 3.75Å; I14-F95 HydrophobicContact CD1-CG 4.19Å; I14-F95 HydrophobicContact CG1-CE2 4.45Å; I14-M423 CarbonylContact O-C 3.21Å; I14-M423 WeakPolarHBondContact O-CA 3.29Å; I14-M423 WeakPolarHBondContact O-CB 3.24Å; I14-N424 PolarHBondContact O-N 2.87Å; I14-L427 HydrophobicContact CG1-CB 4.35Å; I14-L427 HydrophobicContact CG1-CD1 3.83Å; I14-L428 HydrophobicContact CG2-CD1 4.38Å; I14-L428 HydrophobicContact CG2-CD2 4.06Å; I14-L428 HydrophobicContact CG2-CG 4.34Å
15G94.1Very high92.9Very high7 Ų736.5 Ų36.57%0.07220%0.204CC..THydrogen-bonded Turntrans-95.8-55.9-164.700000113.8C11 W18 M423C11-G15 WeakPolarHBondContact O-CA 3.46Å; C11-G15 PolarHBondContact O-N 3.23Å; G15-W18 WeakPolarHBondContact O-CZ3 3.3Å; G15-M423 WeakPolarHBondContact O-CG 3.3Å
16H95.3Very high94.1Very high0 Ų035.2 Ų35.20%020%0.195CC..  trans-11354-172.260.778.8000113C11 Y12 W18 H19 S25 I82 C86C11-H16 WeakPolarHBondContact CB-NE2 3.2Å; C11-H16 PolarHBondContact O-CD2 3.05Å; C11-H16 VanDerWaalsContact O-CD2 3.32Å; C11-H16 PolarHBondContact O-N 3Å; C11-H16 PolarHBondContact SG-NE2 2.83Å; Y12-H16 WeakPolarHBondContact CD2-O 3.11Å; Y12-H16 PolarHBondContact N-CE1 2.9Å; H16-W18 HydrophobicContact CB-CE3 4.46Å; H16-W18 HydrophobicContact CB-CH2 3.76Å; H16-W18 HydrophobicContact CB-CZ2 3.84Å; H16-W18 HydrophobicContact CB-CZ3 4.09Å; H16-W18 PolarHBondContact O-N 3.16Å; H16-H19 PolarHBondContact ND1-O 3.22Å; H16-H19 PolarHBondContact O-N 2.97Å; H16-H19 VanDerWaalsContact O-N 3.1Å; H16-S25 WeakPolarHBondContact CB-OG 3.15Å; H16-S25 PolarHBondContact ND1-OG 3.01Å; H16-I82 HydrophobicContact CB-CD1 4.04Å; H16-C86 PolarHBondContact CD2-SG 3.43Å
17T95.4Very high94.7Very high7 Ų733 Ų334%0.04319%0.194CC..THydrogen-bonded Turntrans-58.5-14.7-173.657.70000115.4Y12 L422 N424 P444 L446Y12-T17 VanDerWaalsContact CE2-O 3.28Å; Y12-T17 WeakPolarHBondContact CE2-O 3.46Å; Y12-T17 VanDerWaalsContact O-CA 3.23Å; Y12-T17 WeakPolarHBondContact O-CA 3.36Å; Y12-T17 WeakPolarHBondContact O-CG2 3.39Å; Y12-T17 PolarHBondContact O-N 2.96Å; T17-L422 WeakPolarHBondContact CG2-O 3.09Å; T17-L422 PolarHBondContact OG1-O 3.32Å; T17-N424 HydrophobicContact CG2-CB 4.32Å; T17-P444 HydrophobicContact CG2-CB 3.71Å; T17-P444 HydrophobicContact CG2-CG 3.87Å; T17-L446 HydrophobicContact CG2-CD2 4.19Å
18W94.7Very high95.1Very high63 Ų6333.8 Ų33.824%0.23920%0.199CC..THydrogen-bonded Turntrans-82.7-18.8178.463.689.3000113.8G15 H16 D28 I29 I82 R419 L422G15-W18 WeakPolarHBondContact O-CZ3 3.3Å; H16-W18 HydrophobicContact CB-CE3 4.46Å; H16-W18 HydrophobicContact CB-CH2 3.76Å; H16-W18 HydrophobicContact CB-CZ2 3.84Å; H16-W18 HydrophobicContact CB-CZ3 4.09Å; H16-W18 PolarHBondContact O-N 3.16Å; W18-D28 PolarHBondContact NE1-OD2 3.22Å; W18-I29 HydrophobicContact CH2-CD1 4.03Å; W18-I29 HydrophobicContact CH2-CG1 4.27Å; W18-I29 HydrophobicContact CZ2-CD1 4.02Å; W18-I29 HydrophobicContact CZ2-CG1 3.98Å; W18-I82 HydrophobicContact CH2-CD1 3.79Å; W18-I82 HydrophobicContact CZ2-CD1 3.83Å; W18-R419 HydrophobicContact CD2-CB 4.38Å; W18-R419 HydrophobicContact CD2-CG 4.28Å; W18-R419 HydrophobicContact CE3-CB 3.97Å; W18-R419 HydrophobicContact CE3-CG 4.32Å; W18-R419 HydrophobicContact CH2-CB 3.91Å; W18-R419 HydrophobicContact CZ2-CB 4.32Å; W18-R419 HydrophobicContact CZ3-CB 3.71Å; W18-R419 HydrophobicContact CZ3-CG 4.48Å; W18-L422 HydrophobicContact CB-CD1 4.28Å; W18-L422 HydrophobicContact CE3-CB 4.32Å; W18-L422 HydrophobicContact CE3-CD1 4.19Å
19H95.1Very high95.4Very high67 Ų6730.4 Ų30.431%0.3118%0.177SC..  trans-154.1131.5-179.9-164.3-78.4000112.3Y12 H16 S21 S25Y12-H19 WeakPolarHBondContact CD2-O 3.27Å; H16-H19 PolarHBondContact ND1-O 3.22Å; H16-H19 PolarHBondContact O-N 2.97Å; H16-H19 VanDerWaalsContact O-N 3.1Å; H19-S21 WeakPolarHBondContact ND1-CB 3.23Å; H19-S21 PolarHBondContact ND1-N 2.84Å; H19-S21 VanDerWaalsContact ND1-N 3.1Å; H19-S21 PolarHBondContact O-N 2.68Å; H19-S25 PolarHBondContact O-OG 3.02Å
20P94.9Very high95.8Very high39 Ų3931.9 Ų31.925%0.25319%0.187SC..SBendtrans-68.6-30.1-174.825.2-34000113.9Y12 C22 Y450Y12-P20 HydrophobicContact CD1-CB 4.29Å; Y12-P20 VanDerWaalsContact CD2-CA 3.48Å; Y12-P20 HydrophobicContact CD2-CB 4.23Å; Y12-P20 HydrophobicContact CE1-CB 4.35Å; Y12-P20 HydrophobicContact CE2-CB 4.3Å; Y12-P20 HydrophobicContact CG-CB 4.23Å; P20-C22 PolarHBondContact O-N 3.39Å; P20-Y450 HydrophobicContact CB-CD1 3.93Å; P20-Y450 HydrophobicContact CB-CD2 3.76Å; P20-Y450 HydrophobicContact CB-CE1 4.42Å; P20-Y450 HydrophobicContact CB-CE2 4.26Å; P20-Y450 HydrophobicContact CB-CG 3.56Å; P20-Y450 HydrophobicContact CG-CD2 3.89Å; P20-Y450 HydrophobicContact CG-CE2 3.97Å; P20-Y450 HydrophobicContact CG-CG 4.19Å
21S96.4Very high96Very high49 Ų4939 Ų3934%0.34322%0.216SC..  trans-74.6124.1175.51760000112.5H19 V23 Q24 S25H19-S21 WeakPolarHBondContact ND1-CB 3.23Å; H19-S21 PolarHBondContact ND1-N 2.84Å; H19-S21 VanDerWaalsContact ND1-N 3.1Å; H19-S21 PolarHBondContact O-N 2.68Å; S21-V23 VanDerWaalsContact C-N 3.29Å; S21-V23 PolarHBondContact O-N 2.66Å; S21-V23 PolarHBondContact OG-N 3.47Å; S21-Q24 PolarHBondContact O-N 3.48Å; S21-Q24 PolarHBondContact OG-N 3.26Å; S21-S25 WeakPolarHBondContact O-CB 3.32Å; S21-S25 PolarHBondContact O-N 2.66Å; S21-S25 PolarHBondContact O-OG 3.3Å
22C96.4Very high96Very high50 Ų5038.5 Ų38.534%0.33821%0.214SC..Hα-helixtrans-59.9-39.1172.5-55.20000112.1P20 S25 A26 C86P20-C22 PolarHBondContact O-N 3.39Å; C22-S25 PolarHBondContact O-N 2.88Å; C22-A26 WeakPolarHBondContact O-CB 3.28Å; C22-A26 PolarHBondContact O-N 3.28Å; C22-C86 HydrophobicContact CB-CB 4.29Å
23V96.9Very high96Very high114 Ų11437.8 Ų37.869%0.69121%0.211SC*.Hα-helixtrans-68-46.6-177.2178.90000110.3S21 S25 A26 A27S21-V23 VanDerWaalsContact C-N 3.29Å; S21-V23 PolarHBondContact O-N 2.66Å; S21-V23 PolarHBondContact OG-N 3.47Å; V23-S25 VanDerWaalsContact C-N 3.32Å; V23-S25 PolarHBondContact O-N 3.39Å; V23-A26 PolarHBondContact O-N 3.03Å; V23-A27 PolarHBondContact O-N 3.16Å
24Q97.3Very high96.2Very high83 Ų8341.9 Ų41.939%0.38823%0.232SC..Hα-helixtrans-62.6-42.6176.8-175.258.838.900111S21 A26 A27 D28S21-Q24 PolarHBondContact O-N 3.48Å; S21-Q24 PolarHBondContact OG-N 3.26Å; Q24-A26 VanDerWaalsContact C-N 3.32Å; Q24-A26 PolarHBondContact O-N 2.87Å; Q24-A27 PolarHBondContact O-N 3.47Å; Q24-D28 PolarHBondContact NE2-OD1 2.97Å; Q24-D28 WeakPolarHBondContact O-CB 3.39Å; Q24-D28 VanDerWaalsContact O-CG 3.29Å; Q24-D28 PolarHBondContact O-N 3.01Å
25S96.4Very high96.4Very high0 Ų045.5 Ų45.50%025%0.249CC..Hα-helixtrans-61.4-40.3176.7-61.10000112.4H16 H19 S21 C22 V23 D28 I29H16-S25 WeakPolarHBondContact CB-OG 3.15Å; H16-S25 PolarHBondContact ND1-OG 3.01Å; H19-S25 PolarHBondContact O-OG 3.02Å; S21-S25 WeakPolarHBondContact O-CB 3.32Å; S21-S25 PolarHBondContact O-N 2.66Å; S21-S25 PolarHBondContact O-OG 3.3Å; C22-S25 PolarHBondContact O-N 2.88Å; V23-S25 VanDerWaalsContact C-N 3.32Å; V23-S25 PolarHBondContact O-N 3.39Å; S25-D28 PolarHBondContact O-N 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.19Å; S25-I29 PolarHBondContact O-N 2.87Å; S25-I29 VanDerWaalsContact O-N 3.14Å
26A97.3Very high96.5Very high14 Ų1445.6 Ų45.612%0.11625%0.248CC..Hα-helixtrans-65.6-42.4173.800000112C22 V23 Q24 D28 I29 T30 I82 V83C22-A26 WeakPolarHBondContact O-CB 3.28Å; C22-A26 PolarHBondContact O-N 3.28Å; V23-A26 PolarHBondContact O-N 3.03Å; Q24-A26 VanDerWaalsContact C-N 3.32Å; Q24-A26 PolarHBondContact O-N 2.87Å; A26-D28 VanDerWaalsContact C-N 3.35Å; A26-D28 PolarHBondContact O-N 2.94Å; A26-I29 PolarHBondContact O-N 3.35Å; A26-T30 VanDerWaalsContact O-CB 3.32Å; A26-T30 WeakPolarHBondContact O-CB 3.3Å; A26-T30 PolarHBondContact O-N 3.35Å; A26-T30 PolarHBondContact O-OG1 2.88Å; A26-I82 HydrophobicContact CB-CG2 4.2Å; A26-V83 HydrophobicContact CB-CG2 3.8Å
27A97.9Very high96.5Very high47 Ų4745.6 Ų45.639%0.38825%0.248SC..Hα-helixtrans-62.3-42176.500000111.9V23 Q24 I29 T30 K31V23-A27 PolarHBondContact O-N 3.16Å; Q24-A27 PolarHBondContact O-N 3.47Å; A27-I29 PolarHBondContact O-N 3.28Å; A27-T30 WeakPolarHBondContact O-CB 3.48Å; A27-T30 PolarHBondContact O-N 3.46Å; A27-K31 WeakPolarHBondContact O-CB 3.16Å; A27-K31 PolarHBondContact O-N 3.28Å
28D96.9Very high96.5Very high30 Ų3049.7 Ų49.716%0.1627%0.266CS..Hα-helixtrans-60.2-45.5177.2-82-9.6000112.9W18 Q24 S25 A26 G32 R419W18-D28 PolarHBondContact NE1-OD2 3.22Å; Q24-D28 PolarHBondContact NE2-OD1 2.97Å; Q24-D28 WeakPolarHBondContact O-CB 3.39Å; Q24-D28 VanDerWaalsContact O-CG 3.29Å; Q24-D28 PolarHBondContact O-N 3.01Å; S25-D28 PolarHBondContact O-N 3.31Å; A26-D28 VanDerWaalsContact C-N 3.35Å; A26-D28 PolarHBondContact O-N 2.94Å; D28-G32 PolarHBondContact O-N 3.38Å; D28-R419 PolarHBondContact O-NH1 3.45Å; D28-R419 IonicContact OD1-NH2 2.68Å; D28-R419 IonicContact OD2-NH2 3.7Å
29I97.3Very high96.5Very high7 Ų752.9 Ų52.94%0.03628%0.281CS..Hα-helixtrans-68-42.1175.5-64.6-62.7000110.3W18 S25 A26 A27 K31 G32 A33 I82 T416 R419W18-I29 HydrophobicContact CH2-CD1 4.03Å; W18-I29 HydrophobicContact CH2-CG1 4.27Å; W18-I29 HydrophobicContact CZ2-CD1 4.02Å; W18-I29 HydrophobicContact CZ2-CG1 3.98Å; S25-I29 WeakPolarHBondContact O-CG1 3.19Å; S25-I29 PolarHBondContact O-N 2.87Å; S25-I29 VanDerWaalsContact O-N 3.14Å; A26-I29 PolarHBondContact O-N 3.35Å; A27-I29 PolarHBondContact O-N 3.28Å; I29-K31 PolarHBondContact O-N 3.47Å; I29-G32 PolarHBondContact O-N 3.4Å; I29-A33 WeakPolarHBondContact O-CB 3.46Å; I29-A33 PolarHBondContact O-N 2.72Å; I29-I82 HydrophobicContact CB-CG2 4.22Å; I29-I82 HydrophobicContact CG1-CD1 3.76Å; I29-I82 HydrophobicContact CG1-CG2 4.3Å; I29-I82 HydrophobicContact CG2-CG2 4.34Å; I29-T416 HydrophobicContact CD1-CG2 4.06Å; I29-R419 HydrophobicContact CD1-CB 3.93Å
30T97.9Very high96.3Very high49 Ų4951.9 Ų51.930%0.30128%0.278SS..Hα-helixtrans-59.5-47.7178.3-57.70000111.5A26 A27 G32 A33 L34 T75 S79A26-T30 VanDerWaalsContact O-CB 3.32Å; A26-T30 WeakPolarHBondContact O-CB 3.3Å; A26-T30 PolarHBondContact O-N 3.35Å; A26-T30 PolarHBondContact O-OG1 2.88Å; A27-T30 WeakPolarHBondContact O-CB 3.48Å; A27-T30 PolarHBondContact O-N 3.46Å; T30-G32 PolarHBondContact O-N 3.37Å; T30-A33 PolarHBondContact O-N 3.07Å; T30-L34 VanDerWaalsContact O-CB 3.25Å; T30-L34 WeakPolarHBondContact O-CB 3.05Å; T30-L34 PolarHBondContact O-N 3.42Å; T30-T75 HydrophobicContact CG2-CG2 3.97Å; T30-S79 VanDerWaalsContact CA-OG 3.3Å; T30-S79 WeakPolarHBondContact CA-OG 3.19Å; T30-S79 VanDerWaalsContact CB-OG 3.29Å; T30-S79 WeakPolarHBondContact CB-OG 3.27Å; T30-S79 WeakPolarHBondContact CG2-OG 3.43Å; T30-S79 VanDerWaalsContact OG1-CB 3.31Å; T30-S79 WeakPolarHBondContact OG1-CB 3.37Å; T30-S79 PolarHBondContact OG1-OG 3.22Å
31K97.3Very high96.3Very high161 Ų16150.8 Ų50.870%0.727%0.269SS*.Hα-helixtrans-59.9-46.3177.7-176.6179179.91790111.5A27 I29 E35A27-K31 WeakPolarHBondContact O-CB 3.16Å; A27-K31 PolarHBondContact O-N 3.28Å; I29-K31 PolarHBondContact O-N 3.47Å; K31-E35 PolarHBondContact O-N 3.12Å
32G95.4Very high96.1Very high3 Ų349.5 Ų49.53%0.03126%0.261CS..Hα-helixtrans-63.1-45.3177.500000112.8D28 I29 T30 V36 L415D28-G32 PolarHBondContact O-N 3.38Å; I29-G32 PolarHBondContact O-N 3.4Å; T30-G32 PolarHBondContact O-N 3.37Å; G32-V36 WeakPolarHBondContact O-CG2 3.35Å; G32-V36 PolarHBondContact O-N 3.39Å; G32-V36 VanDerWaalsContact O-N 3.17Å; G32-L415 CarbonylContact C-O 3.48Å
33A96.8Very high95.8Very high0 Ų050 Ų500%026%0.264CS..Hα-helixtrans-67.1-40.1-17900000111.8I29 T30 V36 S37 T75 L415I29-A33 WeakPolarHBondContact O-CB 3.46Å; I29-A33 PolarHBondContact O-N 2.72Å; T30-A33 PolarHBondContact O-N 3.07Å; A33-V36 PolarHBondContact O-N 3.28Å; A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 3.33Å; A33-S37 PolarHBondContact O-OG 3.46Å; A33-T75 HydrophobicContact CB-CG2 4.24Å; A33-L415 WeakPolarHBondContact CA-O 3.36Å; A33-L415 HydrophobicContact CB-CD1 3.89Å; A33-L415 HydrophobicContact CB-CG 3.93Å; A33-L415 PolarHBondContact N-O 3.28Å
34L97.4Very high95.5Very high89 Ų8949.1 Ų49.147%0.46626%0.255SS..Hα-helixtrans-59.3-52.3176.8-179.463.8000111.6T30 V36 S37 F38 T71 T75T30-L34 VanDerWaalsContact O-CB 3.25Å; T30-L34 WeakPolarHBondContact O-CB 3.05Å; T30-L34 PolarHBondContact O-N 3.42Å; L34-V36 PolarHBondContact O-N 2.95Å; L34-S37 PolarHBondContact O-N 3.05Å; L34-F38 WeakPolarHBondContact O-CB 3.44Å; L34-F38 PolarHBondContact O-N 2.96Å; L34-T71 HydrophobicContact CD1-CG2 3.69Å; L34-T75 WeakPolarHBondContact CA-OG1 3.23Å; L34-T75 HydrophobicContact CB-CG2 3.96Å; L34-T75 HydrophobicContact CD1-CG2 4.47Å
35E96.8Very high95.1Very high76 Ų7646.1 Ų46.136%0.35524%0.24SC..Hα-helixtrans-60.2-45.6-178.9-170.3-155.9133.900111.6K31 K39 K417K31-E35 PolarHBondContact O-N 3.12Å; E35-K39 HydrophobicContact CG-CD 4.42Å; E35-K39 WeakPolarHBondContact O-CB 3.46Å; E35-K39 VanDerWaalsContact O-CG 3.32Å; E35-K39 WeakPolarHBondContact O-CG 3.24Å; E35-K39 PolarHBondContact O-N 3.15Å; E35-K39 VanDerWaalsContact O-N 3.08Å; E35-K39 IonicContact OE1-NZ 3.32Å; E35-K39 PolarHBondContact OE1-NZ 3.08Å; E35-K417 IonicContact OE1-NZ 3.02Å; E35-K417 PolarHBondContact OE1-NZ 3.46Å; E35-K417 VanDerWaalsContact OE2-CE 3.3Å; E35-K417 WeakPolarHBondContact OE2-CE 3.28Å; E35-K417 IonicContact OE2-NZ 3.18Å; E35-K417 PolarHBondContact OE2-NZ 3.04Å
36V95.8Very high94.8Very high9 Ų950.1 Ų50.16%0.05526%0.261CS..Hα-helixtrans-71.6-40.8-178.2171.30000111.3G32 A33 L34 F38 K39 I40 R414 L415G32-V36 WeakPolarHBondContact O-CG2 3.35Å; G32-V36 PolarHBondContact O-N 3.39Å; G32-V36 VanDerWaalsContact O-N 3.17Å; A33-V36 PolarHBondContact O-N 3.28Å; L34-V36 PolarHBondContact O-N 2.95Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-F38 PolarHBondContact O-N 3.32Å; V36-K39 PolarHBondContact O-N 3.06Å; V36-I40 HydrophobicContact CG1-CD1 3.8Å; V36-I40 HydrophobicContact CG1-CG1 4.49Å; V36-I40 VanDerWaalsContact O-CG1 3.28Å; V36-I40 WeakPolarHBondContact O-CG1 3.32Å; V36-I40 PolarHBondContact O-N 2.88Å; V36-R414 HydrophobicContact CG1-CG 3.93Å; V36-R414 HydrophobicContact CG2-CG 4.24Å; V36-R414 WeakPolarHBondContact CG2-O 3.31Å; V36-L415 HydrophobicContact CB-CD1 4.41Å; V36-L415 HydrophobicContact CG1-CD1 4.25Å
37S96Very high94.3Very high0 Ų054.2 Ų54.20%028%0.28CS..Hα-helixtrans-61.7-44.4178-61.80000110.8A33 L34 I40 Y41 L74A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 3.33Å; A33-S37 PolarHBondContact O-OG 3.46Å; L34-S37 PolarHBondContact O-N 3.05Å; S37-I40 PolarHBondContact O-N 2.92Å; S37-Y41 VanDerWaalsContact O-CD2 3.3Å; S37-Y41 WeakPolarHBondContact O-CD2 3.43Å; S37-Y41 PolarHBondContact O-N 3.17Å; S37-L74 WeakPolarHBondContact OG-CB 3.47Å; S37-L74 WeakPolarHBondContact OG-CD2 3.32Å; S37-L74 WeakPolarHBondContact OG-CG 3.2Å
38F96Very high93.7Very high93 Ų9353.7 Ų53.741%0.40828%0.275SS..Hα-helixtrans-61.2-46.7175.4-175.1-98.3000111.6L34 V36 I40 Y41 A42 I67 T71L34-F38 WeakPolarHBondContact O-CB 3.44Å; L34-F38 PolarHBondContact O-N 2.96Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-F38 PolarHBondContact O-N 3.32Å; F38-I40 PolarHBondContact O-N 2.96Å; F38-Y41 PolarHBondContact O-N 3.29Å; F38-A42 HydrophobicContact CE1-CB 4.24Å; F38-A42 HydrophobicContact CE2-CB 4.47Å; F38-A42 HydrophobicContact CZ-CB 4.21Å; F38-A42 VanDerWaalsContact O-CB 3.24Å; F38-A42 WeakPolarHBondContact O-CB 3.31Å; F38-A42 PolarHBondContact O-N 3.33Å; F38-I67 HydrophobicContact CD2-CG2 3.93Å; F38-I67 HydrophobicContact CE2-CG2 3.85Å; F38-T71 HydrophobicContact CB-CG2 4.08Å
39K94.5Very high93.3Very high130 Ų13052.3 Ų52.357%0.56527%0.268SS*.Hα-helixtrans-61.3-24.9177.1-77.1175.8176.5177.10113.8E35 V36 P43E35-K39 HydrophobicContact CG-CD 4.42Å; E35-K39 WeakPolarHBondContact O-CB 3.46Å; E35-K39 VanDerWaalsContact O-CG 3.32Å; E35-K39 WeakPolarHBondContact O-CG 3.24Å; E35-K39 PolarHBondContact O-N 3.15Å; E35-K39 VanDerWaalsContact O-N 3.08Å; E35-K39 IonicContact OE1-NZ 3.32Å; E35-K39 PolarHBondContact OE1-NZ 3.08Å; V36-K39 PolarHBondContact O-N 3.06Å; K39-P43 WeakPolarHBondContact O-CD 3.32Å; K39-P43 WeakPolarHBondContact O-CG 3.35Å
40I91.8Very high92.8Very high47 Ų4756 Ų5624%0.24129%0.291CS..Hα-helixtrans-84.4-48.6176.1-68.8167.2000110.6V36 S37 F38 L44 F411V36-I40 HydrophobicContact CG1-CD1 3.8Å; V36-I40 HydrophobicContact CG1-CG1 4.49Å; V36-I40 VanDerWaalsContact O-CG1 3.28Å; V36-I40 WeakPolarHBondContact O-CG1 3.32Å; V36-I40 PolarHBondContact O-N 2.88Å; S37-I40 PolarHBondContact O-N 2.92Å; F38-I40 PolarHBondContact O-N 2.96Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-F411 HydrophobicContact CD1-CD2 4.31Å; I40-F411 HydrophobicContact CD1-CE2 3.79Å
41Y93Very high92.1Very high16 Ų1660.2 Ų60.26%0.06331%0.311CS..Hα-helixtrans-79.8-37.2-171.6-74.6-58.8000113.8S37 F38 L44 Y45 S70 L74S37-Y41 VanDerWaalsContact O-CD2 3.3Å; S37-Y41 WeakPolarHBondContact O-CD2 3.43Å; S37-Y41 PolarHBondContact O-N 3.17Å; F38-Y41 PolarHBondContact O-N 3.29Å; Y41-L44 HydrophobicContact CD1-CD2 4.26Å; Y41-L44 PolarHBondContact O-N 2.61Å; Y41-Y45 HydrophobicContact CD1-CD2 4.18Å; Y41-Y45 AromaticContact CD1-CE2 3.73Å; Y41-Y45 HydrophobicContact CD1-CE2 3.73Å; Y41-Y45 HydrophobicContact CE1-CE2 4.44Å; Y41-Y45 HydrophobicContact CG-CE2 4.43Å; Y41-Y45 WeakPolarHBondContact O-CB 3.34Å; Y41-Y45 VanDerWaalsContact O-CD2 3.28Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.28Å; Y41-Y45 PolarHBondContact O-N 2.98Å; Y41-S70 WeakPolarHBondContact CE2-O 2.9Å; Y41-L74 HydrophobicContact CE2-CB 3.93Å; Y41-L74 HydrophobicContact CE2-CD2 3.92Å
42A92.3Very high91.6Very high22 Ų2261.4 Ų61.418%0.18231%0.311CS..Hα-helixtrans-53.7-54179.100000113.3F38 L46 I67F38-A42 HydrophobicContact CE1-CB 4.24Å; F38-A42 HydrophobicContact CE2-CB 4.47Å; F38-A42 HydrophobicContact CZ-CB 4.21Å; F38-A42 VanDerWaalsContact O-CB 3.24Å; F38-A42 WeakPolarHBondContact O-CB 3.31Å; F38-A42 PolarHBondContact O-N 3.33Å; A42-L46 VanDerWaalsContact O-CB 3.29Å; A42-L46 WeakPolarHBondContact O-CB 3.41Å; A42-L46 PolarHBondContact O-N 3.08Å; A42-I67 HydrophobicContact CB-CD1 4.38Å; A42-I67 HydrophobicContact CB-CG2 4.23Å
43P91.6Very high91.2Very high60 Ų6072.2 Ų72.239%0.3935%0.351SS..Hα-helixtrans-68.3-37.1178.526-34.1000112.8K39 Y45 L46 I47K39-P43 WeakPolarHBondContact O-CD 3.32Å; K39-P43 WeakPolarHBondContact O-CG 3.35Å; P43-Y45 PolarHBondContact O-N 3.28Å; P43-L46 PolarHBondContact O-N 3.07Å; P43-I47 WeakPolarHBondContact O-CB 3.47Å; P43-I47 WeakPolarHBondContact O-CD1 3.33Å; P43-I47 VanDerWaalsContact O-CG1 3.22Å; P43-I47 WeakPolarHBondContact O-CG1 3.5Å; P43-I47 PolarHBondContact O-N 3.35Å
44L89.3Confident90.8Very high96 Ų9676.7 Ų76.750%0.50337%0.37SS..Hα-helixtrans-60.5-47.2-180-178.868.6000111.5I40 Y41 A48I40-L44 WeakPolarHBondContact O-CB 3.34Å; Y41-L44 HydrophobicContact CD1-CD2 4.26Å; Y41-L44 PolarHBondContact O-N 2.61Å; L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.35Å; L44-A48 PolarHBondContact O-N 3.1Å
45Y90.1Very high90.4Very high20 Ų2080.5 Ų80.58%0.07838%0.383CS..Hα-helixtrans-70.7-37.8179.4-85.5-99.4000112Y41 P43 A48 A49 E66 I67 S70 R117 R120Y41-Y45 HydrophobicContact CD1-CD2 4.18Å; Y41-Y45 AromaticContact CD1-CE2 3.73Å; Y41-Y45 HydrophobicContact CD1-CE2 3.73Å; Y41-Y45 HydrophobicContact CE1-CE2 4.44Å; Y41-Y45 HydrophobicContact CG-CE2 4.43Å; Y41-Y45 WeakPolarHBondContact O-CB 3.34Å; Y41-Y45 VanDerWaalsContact O-CD2 3.28Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.28Å; Y41-Y45 PolarHBondContact O-N 2.98Å; P43-Y45 PolarHBondContact O-N 3.28Å; Y45-A48 PolarHBondContact O-N 3.06Å; Y45-A49 WeakPolarHBondContact O-CB 3.38Å; Y45-A49 PolarHBondContact O-N 2.99Å; Y45-E66 HydrophobicContact CD1-CB 4.14Å; Y45-E66 HydrophobicContact CE1-CB 4.03Å; Y45-E66 WeakPolarHBondContact CE1-OE2 3.1Å; Y45-I67 HydrophobicContact CG-CG1 4.1Å; Y45-S70 PolarHBondContact OH-OG 3.35Å; Y45-S70 VanDerWaalsContact OH-OG 3.09Å; Y45-R117 PolarHBondContact OH-NH2 3.25Å; Y45-R120 WeakPolarHBondContact OH-CD 3.5Å; Y45-R120 VanDerWaalsContact OH-CZ 3.32Å; Y45-R120 PolarHBondContact OH-NE 2.88Å; Y45-R120 PolarHBondContact OH-NH1 2.67Å
46L89.6Confident89.9Confident83 Ų8385.6 Ų85.644%0.43540%0.404SS..Hα-helixtrans-62.1-49.6175.9-176.264.1000111.5A42 P43 A48 A49 V50 Y59 L63A42-L46 VanDerWaalsContact O-CB 3.29Å; A42-L46 WeakPolarHBondContact O-CB 3.41Å; A42-L46 PolarHBondContact O-N 3.08Å; P43-L46 PolarHBondContact O-N 3.07Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 2.96Å; L46-A49 WeakPolarHBondContact O-CB 3.43Å; L46-A49 PolarHBondContact O-N 3.33Å; L46-V50 WeakPolarHBondContact O-CG2 3.44Å; L46-V50 PolarHBondContact O-N 3.38Å; L46-Y59 HydrophobicContact CD1-CD1 4.43Å; L46-Y59 HydrophobicContact CD1-CE1 4.1Å; L46-L63 HydrophobicContact CD1-CD2 4.12Å
47I86.7Confident89.5Confident101 Ų10190 Ų9052%0.51843%0.427SS..Hα-helixtrans-60.6-44.8177.4-68.2165.8000110.3P43 A49 V50 L51P43-I47 WeakPolarHBondContact O-CB 3.47Å; P43-I47 WeakPolarHBondContact O-CD1 3.33Å; P43-I47 VanDerWaalsContact O-CG1 3.22Å; P43-I47 WeakPolarHBondContact O-CG1 3.5Å; P43-I47 PolarHBondContact O-N 3.35Å; I47-A49 VanDerWaalsContact C-N 3.3Å; I47-A49 PolarHBondContact O-N 2.84Å; I47-V50 PolarHBondContact O-N 3.48Å; I47-L51 HydrophobicContact CG2-CD1 3.75Å; I47-L51 HydrophobicContact CG2-CG 4.2Å; I47-L51 WeakPolarHBondContact O-CB 3.48Å; I47-L51 WeakPolarHBondContact O-CG 3.37Å; I47-L51 PolarHBondContact O-N 3.29Å
48A85.4Confident89.2Confident35 Ų3591.9 Ų91.929%0.28943%0.434SS..Hα-helixtrans-62.4-36.5177.900000112.6L44 Y45 L46 R52L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.35Å; L44-A48 PolarHBondContact O-N 3.1Å; Y45-A48 PolarHBondContact O-N 3.06Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 2.96Å; A48-R52 VanDerWaalsContact O-CB 3.3Å; A48-R52 WeakPolarHBondContact O-CB 3.18Å; A48-R52 VanDerWaalsContact O-CG 3.26Å; A48-R52 WeakPolarHBondContact O-CG 3.44Å; A48-R52 PolarHBondContact O-N 2.94Å; A48-R52 VanDerWaalsContact O-N 3.13Å
49A88.3Confident88.7Confident2 Ų291 Ų912%0.01743%0.429CS..Hα-helixtrans-66.6-42.7176.500000112Y45 L46 I47 R52 R53 K54 Y58 Y59Y45-A49 WeakPolarHBondContact O-CB 3.38Å; Y45-A49 PolarHBondContact O-N 2.99Å; L46-A49 WeakPolarHBondContact O-CB 3.43Å; L46-A49 PolarHBondContact O-N 3.33Å; I47-A49 VanDerWaalsContact C-N 3.3Å; I47-A49 PolarHBondContact O-N 2.84Å; A49-R52 PolarHBondContact O-N 3.07Å; A49-R53 PolarHBondContact O-N 3.34Å; A49-K54 HydrophobicContact CB-CG 4.48Å; A49-K54 PolarHBondContact O-N 2.97Å; A49-K54 VanDerWaalsContact O-N 3.09Å; A49-Y58 HydrophobicContact CB-CD1 4.13Å; A49-Y58 HydrophobicContact CB-CE1 3.69Å; A49-Y59 VanDerWaalsContact C-OH 3.24Å; A49-Y59 HydrophobicContact CB-CE1 3.71Å; A49-Y59 PolarHBondContact O-OH 3.1Å
50V87.7Confident88.2Confident85 Ų8591.6 Ų91.652%0.51544%0.438SS..Hα-helixtrans-65.7-49.9177.9172.30000110.9L46 I47 R52 R53 Y59L46-V50 WeakPolarHBondContact O-CG2 3.44Å; L46-V50 PolarHBondContact O-N 3.38Å; I47-V50 PolarHBondContact O-N 3.48Å; V50-R52 PolarHBondContact O-N 2.77Å; V50-R53 PolarHBondContact O-N 2.89Å; V50-Y59 WeakPolarHBondContact CA-OH 3.48Å; V50-Y59 PolarHBondContact N-OH 3.19Å
51L83.1Confident88Confident137 Ų13796.9 Ų96.972%0.71746%0.459SS*.Hα-helixtrans-61-34.9179.4-71.8175.4000112.4I47 R53I47-L51 HydrophobicContact CG2-CD1 3.75Å; I47-L51 HydrophobicContact CG2-CG 4.2Å; I47-L51 WeakPolarHBondContact O-CB 3.48Å; I47-L51 WeakPolarHBondContact O-CG 3.37Å; I47-L51 PolarHBondContact O-N 3.29Å; L51-R53 PolarHBondContact O-N 2.95Å
52R86.1Confident87.8Confident185 Ų185103.9 Ų103.970%0.69849%0.485SS*.THydrogen-bonded Turntrans-85.16.5176.9-67.9176.7176.4178.4-2.3113.5A48 A49 V50 K54A48-R52 VanDerWaalsContact O-CB 3.3Å; A48-R52 WeakPolarHBondContact O-CB 3.18Å; A48-R52 VanDerWaalsContact O-CG 3.26Å; A48-R52 WeakPolarHBondContact O-CG 3.44Å; A48-R52 PolarHBondContact O-N 2.94Å; A48-R52 VanDerWaalsContact O-N 3.13Å; A49-R52 PolarHBondContact O-N 3.07Å; V50-R52 PolarHBondContact O-N 2.77Å; R52-K54 HydrophobicContact CB-CD 4.42Å; R52-K54 HydrophobicContact CB-CG 4.18Å; R52-K54 PolarHBondContact O-N 3.43Å; R52-K54 VanDerWaalsContact O-N 3.16Å
53R87.9Confident87.7Confident231 Ų231103.7 Ų103.787%0.87248%0.481SS*.THydrogen-bonded Turntrans45.347.5-179.8-60.4-176.3178.7-174.1-1112.3A49 V50 L51A49-R53 PolarHBondContact O-N 3.34Å; V50-R53 PolarHBondContact O-N 2.89Å; L51-R53 PolarHBondContact O-N 2.95Å
54K87.8Confident87.6Confident93 Ų93105.5 Ų105.540%0.40449%0.487SS..  trans-64.2149.3-178.8-68.2-62.5-172.1-176.90111A49 R52 Y58 Y59A49-K54 HydrophobicContact CB-CG 4.48Å; A49-K54 PolarHBondContact O-N 2.97Å; A49-K54 VanDerWaalsContact O-N 3.09Å; R52-K54 HydrophobicContact CB-CD 4.42Å; R52-K54 HydrophobicContact CB-CG 4.18Å; R52-K54 PolarHBondContact O-N 3.43Å; R52-K54 VanDerWaalsContact O-N 3.16Å; K54-Y58 HydrophobicContact CB-CD1 3.67Å; K54-Y58 HydrophobicContact CB-CE1 4.41Å; K54-Y58 HydrophobicContact CB-CG 3.9Å; K54-Y58 HydrophobicContact CG-CD1 3.89Å; K54-Y58 HydrophobicContact CG-CE1 4.18Å; K54-Y58 HydrophobicContact CG-CG 4.14Å; K54-Y59 HydrophobicContact CB-CE2 4.23Å; K54-Y59 WeakPolarHBondContact O-CE2 3.41Å
55K89.7Confident87.7Confident170 Ų170103.3 Ų103.374%0.73948%0.478SS*.  trans-67.9157177.9-63-174.4178.9-175.20111.2D57 Y58 Y59K55-D57 PolarHBondContact O-N 2.86Å; K55-Y58 VanDerWaalsContact O-CB 3.29Å; K55-Y58 WeakPolarHBondContact O-CB 3.47Å; K55-Y58 PolarHBondContact O-N 3.38Å; K55-Y59 WeakPolarHBondContact O-CD2 3.33Å
56K85.3Confident87.8Confident183 Ų183104.1 Ų104.180%0.79648%0.483SS*.Hα-helixtrans-52.2-39.5179.2-70.4-174.8178.1-179.90113.1Y58 Y59 L60K56-Y58 PolarHBondContact O-N 2.74Å; K56-Y59 WeakPolarHBondContact O-CB 3.38Å; K56-Y59 PolarHBondContact O-N 3.48Å; K56-L60 PolarHBondContact O-N 2.8Å
57D87.7Confident88Confident100 Ų100100.8 Ų100.854%0.53547%0.465SS..Hα-helixtrans-58-32177.9-61.1-36.4000113.8K55 Y59 L60 K61K55-D57 PolarHBondContact O-N 2.86Å; D57-Y59 VanDerWaalsContact C-N 3.35Å; D57-L60 PolarHBondContact O-N 3.27Å; D57-K61 WeakPolarHBondContact O-CB 3.19Å; D57-K61 PolarHBondContact O-N 2.82Å
58Y88.9Confident88.3Confident40 Ų4099.9 Ų99.916%0.15746%0.461CS..Hα-helixtrans-64.9-41.9177.5176.1-95.1000111.2A49 K54 K55 K56 L60 R62 L63 E66A49-Y58 HydrophobicContact CB-CD1 4.13Å; A49-Y58 HydrophobicContact CB-CE1 3.69Å; K54-Y58 HydrophobicContact CB-CD1 3.67Å; K54-Y58 HydrophobicContact CB-CE1 4.41Å; K54-Y58 HydrophobicContact CB-CG 3.9Å; K54-Y58 HydrophobicContact CG-CD1 3.89Å; K54-Y58 HydrophobicContact CG-CE1 4.18Å; K54-Y58 HydrophobicContact CG-CG 4.14Å; K55-Y58 VanDerWaalsContact O-CB 3.29Å; K55-Y58 WeakPolarHBondContact O-CB 3.47Å; K55-Y58 PolarHBondContact O-N 3.38Å; K56-Y58 PolarHBondContact O-N 2.74Å; Y58-L60 VanDerWaalsContact C-N 3.32Å; Y58-L60 PolarHBondContact O-N 2.89Å; Y58-R62 HydrophobicContact CD2-CB 3.68Å; Y58-R62 HydrophobicContact CD2-CG 4.38Å; Y58-R62 HydrophobicContact CE2-CB 3.75Å; Y58-R62 HydrophobicContact CG-CB 4.42Å; Y58-R62 WeakPolarHBondContact O-CA 3.47Å; Y58-R62 PolarHBondContact O-N 3.33Å; Y58-L63 HydrophobicContact CE1-CB 4.22Å; Y58-L63 HydrophobicContact CE1-CD1 4.2Å; Y58-L63 PolarHBondContact O-N 3.21Å; Y58-E66 WeakPolarHBondContact CE2-OE1 3.35Å; Y58-E66 PolarHBondContact OH-OE1 3.22Å; Y58-E66 PolarHBondContact OH-OE2 3.32Å
59Y86.3Confident88.7Confident74 Ų74105 Ų10529%0.2947%0.473SS..Iπ-helixtrans-64.5-38.7179.7-67.7-90.1000111.6L46 A49 V50 K54 K55 K56 D57 L63L46-Y59 HydrophobicContact CD1-CD1 4.43Å; L46-Y59 HydrophobicContact CD1-CE1 4.1Å; A49-Y59 VanDerWaalsContact C-OH 3.24Å; A49-Y59 HydrophobicContact CB-CE1 3.71Å; A49-Y59 PolarHBondContact O-OH 3.1Å; V50-Y59 WeakPolarHBondContact CA-OH 3.48Å; V50-Y59 PolarHBondContact N-OH 3.19Å; K54-Y59 HydrophobicContact CB-CE2 4.23Å; K54-Y59 WeakPolarHBondContact O-CE2 3.41Å; K55-Y59 WeakPolarHBondContact O-CD2 3.33Å; K56-Y59 WeakPolarHBondContact O-CB 3.38Å; K56-Y59 PolarHBondContact O-N 3.48Å; D57-Y59 VanDerWaalsContact C-N 3.35Å; Y59-L63 HydrophobicContact CD1-CD2 3.69Å; Y59-L63 HydrophobicContact CE1-CD2 4.35Å
60L82.9Confident88.9Confident144 Ų144104.9 Ų104.975%0.75447%0.472SS*.Iπ-helixtrans-78.9-43.7-179.1-65.2172.6000112.8K56 D57 Y58K56-L60 PolarHBondContact O-N 2.8Å; D57-L60 PolarHBondContact O-N 3.27Å; Y58-L60 VanDerWaalsContact C-N 3.32Å; Y58-L60 PolarHBondContact O-N 2.89Å
61K87.9Confident89.3Confident157 Ų157101 Ų10168%0.68345%0.448SS*.Iπ-helixtrans-100.6-25.8-168.1-62.3-175.4178.6179.60114.9D57D57-K61 WeakPolarHBondContact O-CB 3.19Å; D57-K61 PolarHBondContact O-N 2.82Å
62R89Confident90Very high164 Ų16497.2 Ų97.262%0.61943%0.433SS*.Iπ-helixtrans-120.3-36.6-170.4-67.1-168.9178-169.71113.7Y58 L64 P65 E66Y58-R62 HydrophobicContact CD2-CB 3.68Å; Y58-R62 HydrophobicContact CD2-CG 4.38Å; Y58-R62 HydrophobicContact CE2-CB 3.75Å; Y58-R62 HydrophobicContact CG-CB 4.42Å; Y58-R62 WeakPolarHBondContact O-CA 3.47Å; Y58-R62 PolarHBondContact O-N 3.33Å; R62-L64 PolarHBondContact O-N 3.07Å; R62-P65 WeakPolarHBondContact O-CD 3.28Å; R62-E66 WeakPolarHBondContact O-CB 3.29Å; R62-E66 WeakPolarHBondContact O-CG 3.24Å; R62-E66 PolarHBondContact O-N 2.68Å
63L90.4Very high90.4Very high18 Ų1888.5 Ų88.59%0.09440%0.401CS..Iπ-helixtrans-58.9-49.7-174.2-179.762.9000112.7L46 Y58 Y59 E66 I67L46-L63 HydrophobicContact CD1-CD2 4.12Å; Y58-L63 HydrophobicContact CE1-CB 4.22Å; Y58-L63 HydrophobicContact CE1-CD1 4.2Å; Y58-L63 PolarHBondContact O-N 3.21Å; Y59-L63 HydrophobicContact CD1-CD2 3.69Å; Y59-L63 HydrophobicContact CE1-CD2 4.35Å; L63-E66 WeakPolarHBondContact O-CB 3.48Å; L63-E66 PolarHBondContact O-N 3.24Å; L63-I67 HydrophobicContact CD1-CD1 3.88Å; L63-I67 HydrophobicContact CD1-CG1 4.31Å; L63-I67 HydrophobicContact CG-CD1 3.8Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.42Å; L63-I67 PolarHBondContact O-N 3.4Å
64L90.4Very high90.8Very high98 Ų9878.1 Ų78.151%0.51336%0.362SS..Hα-helixtrans-65.3-50.2-178.4-17968000112.5R62 E66 I67 L68R62-L64 PolarHBondContact O-N 3.07Å; L64-E66 PolarHBondContact O-N 3.07Å; L64-I67 PolarHBondContact O-N 3.41Å; L64-L68 HydrophobicContact CD1-CD1 4.39Å; L64-L68 HydrophobicContact CD1-CG 4.3Å; L64-L68 HydrophobicContact CG-CD1 4.13Å; L64-L68 HydrophobicContact CG-CG 4.44Å; L64-L68 WeakPolarHBondContact O-CG 3.27Å; L64-L68 PolarHBondContact O-N 3.34Å
65P91.3Very high91.3Very high49 Ų4974.2 Ų74.232%0.31835%0.346SS..Hα-helixtrans-54.1-42.5172.7-27.934000112.8R62 I67 L68 W69R62-P65 WeakPolarHBondContact O-CD 3.28Å; P65-I67 PolarHBondContact O-N 3.17Å; P65-L68 PolarHBondContact O-N 3.39Å; P65-W69 HydrophobicContact CB-CE3 4.29Å; P65-W69 HydrophobicContact CB-CZ3 4.32Å; P65-W69 WeakPolarHBondContact O-CB 3.39Å; P65-W69 PolarHBondContact O-N 3.05Å
66E91.1Very high91.7Very high38 Ų3867.7 Ų67.718%0.17832%0.321CS..Hα-helixtrans-62.3-42.4178.9-78.1-166.7-155.300112.9Y45 Y58 R62 L63 L64 S70 R117Y45-E66 HydrophobicContact CD1-CB 4.14Å; Y45-E66 HydrophobicContact CE1-CB 4.03Å; Y45-E66 WeakPolarHBondContact CE1-OE2 3.1Å; Y58-E66 WeakPolarHBondContact CE2-OE1 3.35Å; Y58-E66 PolarHBondContact OH-OE1 3.22Å; Y58-E66 PolarHBondContact OH-OE2 3.32Å; R62-E66 WeakPolarHBondContact O-CB 3.29Å; R62-E66 WeakPolarHBondContact O-CG 3.24Å; R62-E66 PolarHBondContact O-N 2.68Å; L63-E66 WeakPolarHBondContact O-CB 3.48Å; L63-E66 PolarHBondContact O-N 3.24Å; L64-E66 PolarHBondContact O-N 3.07Å; E66-S70 PolarHBondContact O-N 3.35Å; E66-S70 PolarHBondContact O-OG 3.02Å; E66-R117 VanDerWaalsContact C-NH2 3.29Å; E66-R117 VanDerWaalsContact CA-NH2 3.3Å; E66-R117 VanDerWaalsContact CG-CZ 3.48Å; E66-R117 PolarHBondContact O-NH2 3.35Å; E66-R117 IonicContact OE1-NH1 3.19Å; E66-R117 IonicContact OE2-CZ 3.6Å; E66-R117 IonicContact OE2-NH1 3.73Å; E66-R117 PolarHBondContact OE2-NH1 2.86Å; E66-R117 IonicContact OE2-NH2 2.75Å
67I93.4Very high92.2Very high13 Ų1359.4 Ų59.47%0.06729%0.285CS..Hα-helixtrans-64.3-46.2174.8-69.6162.7000110.3F38 A42 Y45 L63 L64 P65 S70 T71F38-I67 HydrophobicContact CD2-CG2 3.93Å; F38-I67 HydrophobicContact CE2-CG2 3.85Å; A42-I67 HydrophobicContact CB-CD1 4.38Å; A42-I67 HydrophobicContact CB-CG2 4.23Å; Y45-I67 HydrophobicContact CG-CG1 4.1Å; L63-I67 HydrophobicContact CD1-CD1 3.88Å; L63-I67 HydrophobicContact CD1-CG1 4.31Å; L63-I67 HydrophobicContact CG-CD1 3.8Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.42Å; L63-I67 PolarHBondContact O-N 3.4Å; L64-I67 PolarHBondContact O-N 3.41Å; P65-I67 PolarHBondContact O-N 3.17Å; I67-S70 PolarHBondContact O-N 3.02Å; I67-T71 VanDerWaalsContact O-CB 3.25Å; I67-T71 WeakPolarHBondContact O-CB 3.31Å; I67-T71 PolarHBondContact O-N 2.89Å; I67-T71 PolarHBondContact O-OG1 3.15Å
68L93.4Very high92.5Very high82 Ų8254.9 Ų54.943%0.42926%0.262SS..Hα-helixtrans-62.6-43.4-179.9-69.2176.3000111.4L64 P65 S70 T71 S72L64-L68 HydrophobicContact CD1-CD1 4.39Å; L64-L68 HydrophobicContact CD1-CG 4.3Å; L64-L68 HydrophobicContact CG-CD1 4.13Å; L64-L68 HydrophobicContact CG-CG 4.44Å; L64-L68 WeakPolarHBondContact O-CG 3.27Å; L64-L68 PolarHBondContact O-N 3.34Å; P65-L68 PolarHBondContact O-N 3.39Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-S70 PolarHBondContact O-N 2.8Å; L68-T71 WeakPolarHBondContact O-CB 3.08Å; L68-T71 PolarHBondContact O-N 3.28Å; L68-S72 WeakPolarHBondContact O-CB 3.28Å; L68-S72 PolarHBondContact O-N 3.26Å; L68-S72 PolarHBondContact O-OG 2.89Å; L68-S72 VanDerWaalsContact O-OG 3.04Å
69W93.3Very high92.9Very high142 Ų14253.6 Ų53.654%0.53826%0.259SS..Hα-helixtrans-56-48.7177.3-119.6-75.6000112.6P65 S72 F73 L115P65-W69 HydrophobicContact CB-CE3 4.29Å; P65-W69 HydrophobicContact CB-CZ3 4.32Å; P65-W69 WeakPolarHBondContact O-CB 3.39Å; P65-W69 PolarHBondContact O-N 3.05Å; W69-S72 PolarHBondContact O-N 3.06Å; W69-F73 PolarHBondContact O-N 2.92Å; W69-L115 PolarHBondContact NE1-O 2.86Å
70S94Very high93.4Very high0 Ų051.9 Ų51.90%026%0.255CS..Hα-helixtrans-75.2-30-177.6-59.30000112Y41 Y45 E66 I67 L68 L74 E116 R117 R120Y41-S70 WeakPolarHBondContact CE2-O 2.9Å; Y45-S70 PolarHBondContact OH-OG 3.35Å; Y45-S70 VanDerWaalsContact OH-OG 3.09Å; E66-S70 PolarHBondContact O-N 3.35Å; E66-S70 PolarHBondContact O-OG 3.02Å; I67-S70 PolarHBondContact O-N 3.02Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-S70 PolarHBondContact O-N 2.8Å; S70-L74 PolarHBondContact O-N 3.09Å; S70-E116 WeakPolarHBondContact CB-OE2 3.38Å; S70-E116 PolarHBondContact OG-OE1 3.22Å; S70-E116 PolarHBondContact OG-OE2 3.49Å; S70-R117 PolarHBondContact OG-NH2 3.19Å; S70-R120 PolarHBondContact OG-NH1 2.92Å
71T96.1Very high94.2Very high2 Ų245.9 Ų45.91%0.01222%0.223CC..Hα-helixtrans-63.8-47.1169.5-610000110.8L34 F38 I67 L68 L74 T75L34-T71 HydrophobicContact CD1-CG2 3.69Å; F38-T71 HydrophobicContact CB-CG2 4.08Å; I67-T71 VanDerWaalsContact O-CB 3.25Å; I67-T71 WeakPolarHBondContact O-CB 3.31Å; I67-T71 PolarHBondContact O-N 2.89Å; I67-T71 PolarHBondContact O-OG1 3.15Å; L68-T71 WeakPolarHBondContact O-CB 3.08Å; L68-T71 PolarHBondContact O-N 3.28Å; T71-L74 PolarHBondContact O-N 3.26Å; T71-T75 VanDerWaalsContact O-CB 3.29Å; T71-T75 WeakPolarHBondContact O-CB 3.35Å; T71-T75 PolarHBondContact O-N 2.87Å; T71-T75 PolarHBondContact O-OG1 3.18Å
72S96.3Very high94.6Very high58 Ų5839 Ų3941%0.40619%0.194SC..Hα-helixtrans-61.1-45.8176.8-63.90000111.5L68 W69 L74 T75 T76L68-S72 WeakPolarHBondContact O-CB 3.28Å; L68-S72 PolarHBondContact O-N 3.26Å; L68-S72 PolarHBondContact O-OG 2.89Å; L68-S72 VanDerWaalsContact O-OG 3.04Å; W69-S72 PolarHBondContact O-N 3.06Å; S72-L74 PolarHBondContact O-N 2.91Å; S72-T75 PolarHBondContact O-N 3.04Å; S72-T76 VanDerWaalsContact O-CB 3.23Å; S72-T76 WeakPolarHBondContact O-CB 3.41Å; S72-T76 PolarHBondContact O-N 3.49Å; S72-T76 PolarHBondContact O-OG1 3.24Å
73F96.1Very high95Very high3 Ų333.6 Ų33.61%0.01318%0.178CC..Hα-helixtrans-49.9-55.2174.2155.2-116.4000112.4W69 T76 N77 A112 I113 E116 L124 Y386W69-F73 PolarHBondContact O-N 2.92Å; F73-T76 PolarHBondContact O-N 3.37Å; F73-N77 PolarHBondContact O-N 3.43Å; F73-N77 VanDerWaalsContact O-N 3.09Å; F73-A112 HydrophobicContact CD2-CB 4Å; F73-A112 VanDerWaalsContact CD2-O 3.22Å; F73-A112 WeakPolarHBondContact CD2-O 3.5Å; F73-A112 HydrophobicContact CE2-CB 4.15Å; F73-I113 HydrophobicContact CE2-CB 4.31Å; F73-I113 HydrophobicContact CE2-CD1 3.89Å; F73-I113 HydrophobicContact CZ-CD1 4.09Å; F73-E116 HydrophobicContact CB-CB 4.03Å; F73-E116 HydrophobicContact CD1-CB 4.29Å; F73-E116 HydrophobicContact CD1-CG 4.23Å; F73-E116 WeakPolarHBondContact CD1-OE2 3.4Å; F73-E116 HydrophobicContact CD2-CB 3.9Å; F73-E116 HydrophobicContact CE2-CB 4.39Å; F73-E116 HydrophobicContact CG-CB 3.8Å; F73-E116 HydrophobicContact CG-CG 4.24Å; F73-L124 HydrophobicContact CE1-CD1 3.74Å; F73-L124 HydrophobicContact CE1-CD2 4.48Å; F73-L124 HydrophobicContact CZ-CD1 3.93Å; F73-Y386 HydrophobicContact CE2-CE1 4.25Å; F73-Y386 AromaticContact CE2-CZ 3.97Å; F73-Y386 HydrophobicContact CZ-CE1 4.47Å; F73-Y386 HydrophobicContact CZ-CE2 4.23Å; F73-Y386 AromaticContact CZ-CZ 3.74Å; F73-Y386 WeakPolarHBondContact CZ-OH 3.12Å
74L96.1Very high95.4Very high13 Ų1334.7 Ų34.77%0.06818%0.183CC..Hα-helixtrans-73.1-35.6-173.4-174.760.1000112.4S37 Y41 S70 T71 S72 N77 G78 F411 L415S37-L74 WeakPolarHBondContact OG-CB 3.47Å; S37-L74 WeakPolarHBondContact OG-CD2 3.32Å; S37-L74 WeakPolarHBondContact OG-CG 3.2Å; Y41-L74 HydrophobicContact CE2-CB 3.93Å; Y41-L74 HydrophobicContact CE2-CD2 3.92Å; S70-L74 PolarHBondContact O-N 3.09Å; T71-L74 PolarHBondContact O-N 3.26Å; S72-L74 PolarHBondContact O-N 2.91Å; L74-N77 PolarHBondContact O-N 3.41Å; L74-G78 PolarHBondContact O-N 3.46Å; L74-F411 HydrophobicContact CD1-CZ 3.95Å; L74-F411 HydrophobicContact CD2-CE2 4.22Å; L74-F411 HydrophobicContact CD2-CZ 3.88Å; L74-F411 HydrophobicContact CG-CZ 4.42Å; L74-L415 HydrophobicContact CD2-CD1 4.25Å; L74-L415 HydrophobicContact CG-CD1 4.14Å
75T97.6Very high95.7Very high10 Ų1030.3 Ų30.36%0.06116%0.159CC..Hα-helixtrans-61.6-51.4173.6-54.70000110.3T30 A33 L34 T71 S72 N77 G78 S79T30-T75 HydrophobicContact CG2-CG2 3.97Å; A33-T75 HydrophobicContact CB-CG2 4.24Å; L34-T75 WeakPolarHBondContact CA-OG1 3.23Å; L34-T75 HydrophobicContact CB-CG2 3.96Å; L34-T75 HydrophobicContact CD1-CG2 4.47Å; T71-T75 VanDerWaalsContact O-CB 3.29Å; T71-T75 WeakPolarHBondContact O-CB 3.35Å; T71-T75 PolarHBondContact O-N 2.87Å; T71-T75 PolarHBondContact O-OG1 3.18Å; S72-T75 PolarHBondContact O-N 3.04Å; T75-N77 VanDerWaalsContact C-N 3.28Å; T75-N77 PolarHBondContact O-N 3.46Å; T75-G78 PolarHBondContact O-N 3.29Å; T75-G78 VanDerWaalsContact O-N 3.15Å; T75-S79 WeakPolarHBondContact O-CB 3.42Å; T75-S79 PolarHBondContact O-N 3.01Å; T75-S79 PolarHBondContact O-OG 3.44Å; T75-S79 VanDerWaalsContact O-OG 3.05Å
76T97.6Very high96Very high33 Ų3328.7 Ų28.720%0.20215%0.149CC..Hα-helixtrans-56.3-41.2177.9-64.70000111.7S72 F73 G78 S79 L80 A112 L115S72-T76 VanDerWaalsContact O-CB 3.23Å; S72-T76 WeakPolarHBondContact O-CB 3.41Å; S72-T76 PolarHBondContact O-N 3.49Å; S72-T76 PolarHBondContact O-OG1 3.24Å; F73-T76 PolarHBondContact O-N 3.37Å; T76-G78 PolarHBondContact O-N 2.93Å; T76-S79 PolarHBondContact O-N 3.22Å; T76-L80 HydrophobicContact CG2-CD1 3.39Å; T76-L80 HydrophobicContact CG2-CG 3.79Å; T76-L80 WeakPolarHBondContact O-CB 3.41Å; T76-L80 VanDerWaalsContact O-CG 3.29Å; T76-L80 WeakPolarHBondContact O-CG 3.34Å; T76-L80 PolarHBondContact O-N 3.47Å; T76-A112 HydrophobicContact CG2-CB 4.29Å; T76-L115 HydrophobicContact CG2-CD1 3.7Å; T76-L115 WeakPolarHBondContact OG1-CD1 3.47Å
77N96.9Very high96.3Very high9 Ų930.3 Ų30.35%0.04816%0.158CC..Hα-helixtrans-60.6-47.2178.3-164.221000112.1F73 L74 T75 F81 S109 A112 Y386F73-N77 PolarHBondContact O-N 3.43Å; F73-N77 VanDerWaalsContact O-N 3.09Å; L74-N77 PolarHBondContact O-N 3.41Å; T75-N77 VanDerWaalsContact C-N 3.28Å; T75-N77 PolarHBondContact O-N 3.46Å; N77-F81 WeakPolarHBondContact O-CB 3.26Å; N77-F81 PolarHBondContact O-N 3.42Å; N77-S109 WeakPolarHBondContact OD1-CA 3.25Å; N77-A112 HydrophobicContact CB-CB 3.6Å; N77-Y386 PolarHBondContact ND2-OH 3.35Å
78G94.3Very high96.4Very high6 Ų631.1 Ų31.16%0.06216%0.162CC..Hα-helixtrans-67-43.2178.200000113L74 T75 T76L74-G78 PolarHBondContact O-N 3.46Å; T75-G78 PolarHBondContact O-N 3.29Å; T75-G78 VanDerWaalsContact O-N 3.15Å; T76-G78 PolarHBondContact O-N 2.93Å
79S96.4Very high96.5Very high13 Ų1329.9 Ų29.99%0.09115%0.152CC..Hα-helixtrans-66.8-45.9179.1-61.10000112.7T30 T75 T76 F81 I82 V83T30-S79 VanDerWaalsContact CA-OG 3.3Å; T30-S79 WeakPolarHBondContact CA-OG 3.19Å; T30-S79 VanDerWaalsContact CB-OG 3.29Å; T30-S79 WeakPolarHBondContact CB-OG 3.27Å; T30-S79 WeakPolarHBondContact CG2-OG 3.43Å; T30-S79 VanDerWaalsContact OG1-CB 3.31Å; T30-S79 WeakPolarHBondContact OG1-CB 3.37Å; T30-S79 PolarHBondContact OG1-OG 3.22Å; T75-S79 WeakPolarHBondContact O-CB 3.42Å; T75-S79 PolarHBondContact O-N 3.01Å; T75-S79 PolarHBondContact O-OG 3.44Å; T75-S79 VanDerWaalsContact O-OG 3.05Å; T76-S79 PolarHBondContact O-N 3.22Å; S79-F81 VanDerWaalsContact C-N 3.3Å; S79-F81 PolarHBondContact O-N 3.28Å; S79-I82 WeakPolarHBondContact O-CG2 3.35Å; S79-I82 PolarHBondContact O-N 3.16Å; S79-V83 WeakPolarHBondContact O-CG2 3.28Å; S79-V83 PolarHBondContact O-N 2.85Å
80L97.9Very high96.6Very high38 Ų3831.4 Ų31.420%0.19916%0.162CC..Hα-helixtrans-69.7-29.9-179.1-70.8-176.1000111.9T76 I82 V83 F84 A108 I111T76-L80 HydrophobicContact CG2-CD1 3.39Å; T76-L80 HydrophobicContact CG2-CG 3.79Å; T76-L80 WeakPolarHBondContact O-CB 3.41Å; T76-L80 VanDerWaalsContact O-CG 3.29Å; T76-L80 WeakPolarHBondContact O-CG 3.34Å; T76-L80 PolarHBondContact O-N 3.47Å; L80-I82 PolarHBondContact O-N 2.88Å; L80-V83 PolarHBondContact O-N 2.88Å; L80-F84 HydrophobicContact CB-CD2 4.02Å; L80-F84 HydrophobicContact CB-CE2 4.09Å; L80-F84 HydrophobicContact CD1-CE2 4.33Å; L80-F84 HydrophobicContact CD2-CE2 4.38Å; L80-F84 WeakPolarHBondContact O-CB 3.39Å; L80-F84 WeakPolarHBondContact O-CD2 3.32Å; L80-F84 PolarHBondContact O-N 3.34Å; L80-A108 HydrophobicContact CB-CB 3.66Å; L80-I111 HydrophobicContact CD1-CB 3.78Å; L80-I111 HydrophobicContact CD1-CD1 4.18Å; L80-I111 HydrophobicContact CD1-CG2 3.6Å
81F97.8Very high96.6Very high18 Ų1837.8 Ų37.88%0.07920%0.196CC..Hα-helixtrans-56.2-52175.8171.1-106.6000111.7N77 S79 V83 F84 F85 A104 A105 A108 F394 V398 F420N77-F81 WeakPolarHBondContact O-CB 3.26Å; N77-F81 PolarHBondContact O-N 3.42Å; S79-F81 VanDerWaalsContact C-N 3.3Å; S79-F81 PolarHBondContact O-N 3.28Å; F81-V83 VanDerWaalsContact C-N 3.33Å; F81-V83 PolarHBondContact O-N 3.21Å; F81-F84 PolarHBondContact O-N 2.96Å; F81-F85 HydrophobicContact CZ-CD2 4.47Å; F81-F85 VanDerWaalsContact O-CB 3.27Å; F81-F85 WeakPolarHBondContact O-CB 3.38Å; F81-F85 PolarHBondContact O-N 3.44Å; F81-A104 HydrophobicContact CD2-CB 3.95Å; F81-A104 HydrophobicContact CE2-CB 3.8Å; F81-A105 HydrophobicContact CD2-CB 3.82Å; F81-A105 HydrophobicContact CE2-CB 4.1Å; F81-A108 HydrophobicContact CB-CB 4.36Å; F81-F394 HydrophobicContact CB-CD1 4.48Å; F81-F394 HydrophobicContact CB-CE1 4.03Å; F81-F394 AromaticContact CD1-CD1 3.92Å; F81-F394 HydrophobicContact CD1-CD1 3.92Å; F81-F394 AromaticContact CD1-CE1 3.74Å; F81-F394 HydrophobicContact CD1-CE1 3.74Å; F81-F394 AromaticContact CD2-CD1 3.45Å; F81-F394 HydrophobicContact CD2-CD1 3.45Å; F81-F394 VanDerWaalsContact CD2-CD1 3.45Å; F81-F394 AromaticContact CD2-CE1 3.87Å; F81-F394 HydrophobicContact CD2-CE1 3.87Å; F81-F394 HydrophobicContact CD2-CG 4.34Å; F81-F394 AromaticContact CE1-CD1 3.97Å; F81-F394 HydrophobicContact CE1-CD1 3.97Å; F81-F394 HydrophobicContact CE1-CE1 4.17Å; F81-F394 HydrophobicContact CE2-CB 4.32Å; F81-F394 AromaticContact CE2-CD1 3.52Å; F81-F394 HydrophobicContact CE2-CD1 3.52Å; F81-F394 HydrophobicContact CE2-CE1 4.29Å; F81-F394 HydrophobicContact CE2-CG 4.33Å; F81-F394 AromaticContact CG-CD1 3.66Å; F81-F394 HydrophobicContact CG-CD1 3.66Å; F81-F394 AromaticContact CG-CE1 3.57Å; F81-F394 HydrophobicContact CG-CE1 3.57Å; F81-F394 AromaticContact CZ-CD1 3.78Å; F81-F394 HydrophobicContact CZ-CD1 3.78Å; F81-F394 HydrophobicContact CZ-CE1 4.43Å; F81-V398 HydrophobicContact CZ-CG2 4.02Å; F81-F420 HydrophobicContact CE1-CE1 4.5Å; F81-F420 HydrophobicContact CE1-CE2 4.11Å; F81-F420 AromaticContact CE1-CZ 3.81Å; F81-F420 HydrophobicContact CE1-CZ 3.81Å; F81-F420 HydrophobicContact CZ-CE2 4.48Å; F81-F420 HydrophobicContact CZ-CZ 4.14Å
82I97.1Very high96.5Very high13 Ų1340.3 Ų40.37%0.06721%0.209CC..Hα-helixtrans-68.4-33.4179.8-171.2167.2000112.1H16 W18 A26 I29 S79 L80 F85 C86H16-I82 HydrophobicContact CB-CD1 4.04Å; W18-I82 HydrophobicContact CH2-CD1 3.79Å; W18-I82 HydrophobicContact CZ2-CD1 3.83Å; A26-I82 HydrophobicContact CB-CG2 4.2Å; I29-I82 HydrophobicContact CB-CG2 4.22Å; I29-I82 HydrophobicContact CG1-CD1 3.76Å; I29-I82 HydrophobicContact CG1-CG2 4.3Å; I29-I82 HydrophobicContact CG2-CG2 4.34Å; S79-I82 WeakPolarHBondContact O-CG2 3.35Å; S79-I82 PolarHBondContact O-N 3.16Å; L80-I82 PolarHBondContact O-N 2.88Å; I82-F85 WeakPolarHBondContact O-CB 3.37Å; I82-F85 PolarHBondContact O-N 3.49Å; I82-C86 PolarHBondContact O-N 2.98Å; I82-C86 VanDerWaalsContact O-N 3.17Å; I82-C86 PolarHBondContact O-SG 3.42Å; I82-C86 VanDerWaalsContact O-SG 3.33Å
83V97.9Very high96.3Very high50 Ų5039.2 Ų39.230%0.30321%0.207SC..Hα-helixtrans-64.6-50.5174.8170.80000111A26 S79 L80 F81 F85 C86 I87A26-V83 HydrophobicContact CB-CG2 3.8Å; S79-V83 WeakPolarHBondContact O-CG2 3.28Å; S79-V83 PolarHBondContact O-N 2.85Å; L80-V83 PolarHBondContact O-N 2.88Å; F81-V83 VanDerWaalsContact C-N 3.33Å; F81-V83 PolarHBondContact O-N 3.21Å; V83-F85 VanDerWaalsContact C-N 3.3Å; V83-F85 PolarHBondContact O-N 3.48Å; V83-C86 PolarHBondContact O-N 2.86Å; V83-I87 HydrophobicContact CG1-CD1 3.64Å; V83-I87 HydrophobicContact CG1-CG1 4.37Å; V83-I87 WeakPolarHBondContact O-CG1 3.45Å; V83-I87 PolarHBondContact O-N 3.26Å
84F98.2Very high96.1Very high41 Ų4139.1 Ų39.118%0.1821%0.207CC..Hα-helixtrans-66.9-31.3177.9-79.5-66.2000112.6L80 F81 C86 I87 L88 A104 P107 A108 I111L80-F84 HydrophobicContact CB-CD2 4.02Å; L80-F84 HydrophobicContact CB-CE2 4.09Å; L80-F84 HydrophobicContact CD1-CE2 4.33Å; L80-F84 HydrophobicContact CD2-CE2 4.38Å; L80-F84 WeakPolarHBondContact O-CB 3.39Å; L80-F84 WeakPolarHBondContact O-CD2 3.32Å; L80-F84 PolarHBondContact O-N 3.34Å; F81-F84 PolarHBondContact O-N 2.96Å; F84-C86 PolarHBondContact O-N 3.27Å; F84-I87 HydrophobicContact CD1-CD1 4.45Å; F84-I87 PolarHBondContact O-N 3.33Å; F84-L88 VanDerWaalsContact O-CB 3.28Å; F84-L88 WeakPolarHBondContact O-CB 3.33Å; F84-L88 WeakPolarHBondContact O-CG 3.32Å; F84-L88 PolarHBondContact O-N 3.17Å; F84-A104 HydrophobicContact CB-CB 4.29Å; F84-A104 WeakPolarHBondContact CB-O 3.21Å; F84-P107 HydrophobicContact CB-CG 4.26Å; F84-P107 HydrophobicContact CD1-CB 4.22Å; F84-P107 HydrophobicContact CD1-CG 3.74Å; F84-P107 HydrophobicContact CD2-CB 4.18Å; F84-P107 HydrophobicContact CD2-CG 3.89Å; F84-P107 HydrophobicContact CE1-CB 3.95Å; F84-P107 HydrophobicContact CE1-CG 4Å; F84-P107 HydrophobicContact CE2-CB 3.91Å; F84-P107 HydrophobicContact CE2-CG 4.14Å; F84-P107 HydrophobicContact CG-CB 4.34Å; F84-P107 HydrophobicContact CG-CG 3.7Å; F84-P107 HydrophobicContact CZ-CB 3.79Å; F84-P107 HydrophobicContact CZ-CG 4.2Å; F84-A108 HydrophobicContact CD2-CB 3.9Å; F84-A108 HydrophobicContact CE2-CB 4.47Å; F84-I111 HydrophobicContact CE2-CD1 3.95Å; F84-I111 HydrophobicContact CZ-CD1 3.83Å
85F97.4Very high95.9Very high5 Ų538.5 Ų38.52%0.02220%0.204CC..Hα-helixtrans-56.5-48.6170.9-178.2-85.5000111.5C11 I14 F81 I82 V83 R89 F95 S100 A104 M423C11-F85 HydrophobicContact CB-CD1 4.17Å; C11-F85 HydrophobicContact CB-CE1 3.98Å; I14-F85 HydrophobicContact CG2-CZ 4Å; F81-F85 HydrophobicContact CZ-CD2 4.47Å; F81-F85 VanDerWaalsContact O-CB 3.27Å; F81-F85 WeakPolarHBondContact O-CB 3.38Å; F81-F85 PolarHBondContact O-N 3.44Å; I82-F85 WeakPolarHBondContact O-CB 3.37Å; I82-F85 PolarHBondContact O-N 3.49Å; V83-F85 VanDerWaalsContact C-N 3.3Å; V83-F85 PolarHBondContact O-N 3.48Å; F85-R89 PolarHBondContact O-N 3.02Å; F85-R89 VanDerWaalsContact O-N 3.17Å; F85-F95 HydrophobicContact CD1-CE1 4.01Å; F85-F95 AromaticContact CD1-CZ 3.99Å; F85-F95 HydrophobicContact CD1-CZ 3.99Å; F85-F95 HydrophobicContact CD2-CE1 4.15Å; F85-F95 AromaticContact CE1-CE1 3.49Å; F85-F95 HydrophobicContact CE1-CE1 3.49Å; F85-F95 VanDerWaalsContact CE1-CE1 3.49Å; F85-F95 HydrophobicContact CE1-CE2 4.36Å; F85-F95 AromaticContact CE1-CZ 3.24Å; F85-F95 HydrophobicContact CE1-CZ 3.24Å; F85-F95 HydrophobicContact CE2-CD1 4.38Å; F85-F95 AromaticContact CE2-CE1 3.66Å; F85-F95 HydrophobicContact CE2-CE1 3.66Å; F85-F95 HydrophobicContact CE2-CZ 4.22Å; F85-F95 HydrophobicContact CG-CE1 4.3Å; F85-F95 HydrophobicContact CZ-CD1 4.22Å; F85-F95 AromaticContact CZ-CE1 3.29Å; F85-F95 HydrophobicContact CZ-CE1 3.29Å; F85-F95 HydrophobicContact CZ-CE2 4.36Å; F85-F95 AromaticContact CZ-CZ 3.37Å; F85-F95 HydrophobicContact CZ-CZ 3.37Å; F85-S100 WeakPolarHBondContact CD2-O 3.44Å; F85-S100 WeakPolarHBondContact CE2-O 3.38Å; F85-A104 HydrophobicContact CB-CB 3.98Å; F85-M423 HydrophobicContact CE2-CE 3.87Å; F85-M423 HydrophobicContact CZ-CE 4.07Å
86C97.3Very high95.7Very high15 Ų1540.7 Ų40.710%0.10121%0.211CC..Hα-helixtrans-69.7-41.7177.2-62.70000112.6C11 H16 C22 I82 V83 F84 R89 K90C11-C86 HydrophobicContact CB-CB 4.46Å; H16-C86 PolarHBondContact CD2-SG 3.43Å; C22-C86 HydrophobicContact CB-CB 4.29Å; I82-C86 PolarHBondContact O-N 2.98Å; I82-C86 VanDerWaalsContact O-N 3.17Å; I82-C86 PolarHBondContact O-SG 3.42Å; I82-C86 VanDerWaalsContact O-SG 3.33Å; V83-C86 PolarHBondContact O-N 2.86Å; F84-C86 PolarHBondContact O-N 3.27Å; C86-R89 PolarHBondContact O-N 3.33Å; C86-K90 PolarHBondContact O-N 3.13Å
87I97.3Very high95.4Very high73 Ų7340.2 Ų40.237%0.37421%0.208SC..Hα-helixtrans-61.7-49.2178.5-70.4170.7000110.5V83 F84 R89 K90 L91V83-I87 HydrophobicContact CG1-CD1 3.64Å; V83-I87 HydrophobicContact CG1-CG1 4.37Å; V83-I87 WeakPolarHBondContact O-CG1 3.45Å; V83-I87 PolarHBondContact O-N 3.26Å; F84-I87 HydrophobicContact CD1-CD1 4.45Å; F84-I87 PolarHBondContact O-N 3.33Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.43Å; I87-K90 WeakPolarHBondContact O-CB 3.5Å; I87-K90 PolarHBondContact O-N 3.5Å; I87-L91 HydrophobicContact CG2-CD1 3.72Å; I87-L91 HydrophobicContact CG2-CG 4.19Å; I87-L91 WeakPolarHBondContact O-CG 3.49Å; I87-L91 PolarHBondContact O-N 2.92Å
88L96.1Very high95.2Very high29 Ų2945.5 Ų45.515%0.15223%0.228CC..Hα-helixtrans-62.3-40.3179.2-77.4167.7000111.8F84 K90 L91 L92 G103 A104F84-L88 VanDerWaalsContact O-CB 3.28Å; F84-L88 WeakPolarHBondContact O-CB 3.33Å; F84-L88 WeakPolarHBondContact O-CG 3.32Å; F84-L88 PolarHBondContact O-N 3.17Å; L88-K90 VanDerWaalsContact C-N 3.29Å; L88-K90 PolarHBondContact O-N 3.42Å; L88-L91 PolarHBondContact O-N 3.44Å; L88-L92 HydrophobicContact CD2-CD1 4.46Å; L88-L92 VanDerWaalsContact O-CB 3.24Å; L88-L92 WeakPolarHBondContact O-CB 3.46Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.31Å; L88-L92 PolarHBondContact O-N 2.86Å; L88-G103 WeakPolarHBondContact CD1-O 3.3Å; L88-A104 HydrophobicContact CD1-CB 4.15Å; L88-A104 VanDerWaalsContact CD1-N 3.31Å
89R95.2Very high95.2Very high56 Ų5645.2 Ų45.221%0.21123%0.225CC..Hα-helixtrans-56.9-44.6172.2-175.4-85.1178.2-169.4-0.4111.3H9 C11 F85 C86 I87 G93 G94 F95H9-R89 PolarHBondContact O-NE 2.84Å; H9-R89 PolarHBondContact O-NH2 3.41Å; C11-R89 HydrophobicContact CB-CG 4.46Å; F85-R89 PolarHBondContact O-N 3.02Å; F85-R89 VanDerWaalsContact O-N 3.17Å; C86-R89 PolarHBondContact O-N 3.33Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.43Å; R89-G93 CarbonylContact O-C 3.58Å; R89-G93 VanDerWaalsContact O-CA 3.31Å; R89-G93 WeakPolarHBondContact O-CA 3.47Å; R89-G93 PolarHBondContact O-N 2.97Å; R89-G94 PolarHBondContact O-N 3.24Å; R89-G94 VanDerWaalsContact O-N 3.15Å; R89-F95 HydrophobicContact CB-CE1 3.85Å; R89-F95 HydrophobicContact CB-CE2 4.1Å; R89-F95 HydrophobicContact CB-CZ 3.59Å; R89-F95 HydrophobicContact CG-CD2 4.11Å; R89-F95 HydrophobicContact CG-CE1 4.18Å; R89-F95 HydrophobicContact CG-CE2 3.5Å; R89-F95 HydrophobicContact CG-CZ 3.53Å
90K94.4Very high95Very high174 Ų17444.6 Ų44.676%0.75722%0.221SC*.Hα-helixtrans-66.5-42.7-179.6-171.2176.1-179.7-179.30111.8C86 I87 L88C86-K90 PolarHBondContact O-N 3.13Å; I87-K90 WeakPolarHBondContact O-CB 3.5Å; I87-K90 PolarHBondContact O-N 3.5Å; L88-K90 VanDerWaalsContact C-N 3.29Å; L88-K90 PolarHBondContact O-N 3.42Å
91L95.7Very high94.9Very high134 Ų13442.8 Ų42.870%0.70221%0.211SC*.Hα-helixtrans-69.1-39.3179.7-68.1174.9000112.7I87 L88I87-L91 HydrophobicContact CG2-CD1 3.72Å; I87-L91 HydrophobicContact CG2-CG 4.19Å; I87-L91 WeakPolarHBondContact O-CG 3.49Å; I87-L91 PolarHBondContact O-N 2.92Å; L88-L91 PolarHBondContact O-N 3.44Å
92L93.8Very high94.8Very high55 Ų5544.9 Ų44.929%0.28822%0.22SC..Hα-helixtrans-91.3-7.2-177-61.5177.4000113.2K6 L88 G94 Y96 W98K6-L92 PolarHBondContact NZ-O 3.22Å; K6-L92 VanDerWaalsContact NZ-O 3.08Å; L88-L92 HydrophobicContact CD2-CD1 4.46Å; L88-L92 VanDerWaalsContact O-CB 3.24Å; L88-L92 WeakPolarHBondContact O-CB 3.46Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.31Å; L88-L92 PolarHBondContact O-N 2.86Å; L92-G94 PolarHBondContact O-N 3.38Å; L92-Y96 HydrophobicContact CB-CD2 4.25Å; L92-Y96 HydrophobicContact CB-CE2 3.97Å; L92-Y96 HydrophobicContact CD1-CD2 3.97Å; L92-Y96 HydrophobicContact CD1-CE2 4.38Å; L92-W98 HydrophobicContact CD1-CH2 4.41Å; L92-W98 HydrophobicContact CD1-CZ2 4.21Å
93G91.2Very high94.8Very high36 Ų3644.6 Ų44.637%0.37122%0.221SC..THydrogen-bonded Turntrans64.319.8-176.900000114.6K6 R89K6-G93 WeakPolarHBondContact CE-O 3.39Å; K6-G93 VanDerWaalsContact NZ-C 3.26Å; K6-G93 PolarHBondContact NZ-O 3.29Å; R89-G93 CarbonylContact O-C 3.58Å; R89-G93 VanDerWaalsContact O-CA 3.31Å; R89-G93 WeakPolarHBondContact O-CA 3.47Å; R89-G93 PolarHBondContact O-N 2.97Å
94G91.4Very high94.8Very high0 Ų042.2 Ų42.20%021%0.206CC..SBendtrans163.3-171-177.700000112I7 R89 L92I7-G94 WeakPolarHBondContact O-CA 3.3Å; R89-G94 PolarHBondContact O-N 3.24Å; R89-G94 VanDerWaalsContact O-N 3.15Å; L92-G94 PolarHBondContact O-N 3.38Å
95F93.4Very high94.8Very high1 Ų140.3 Ų40.30%0.00420%0.198CC..BIsolated β-bridgetrans-108.1135.5-179.9-67.3-80.2000112.5K6 I7 C11 I14 F85 R89K6-F95 WeakPolarHBondContact CA-O 3.41Å; I7-F95 PolarHBondContact N-O 2.85Å; I7-F95 PolarHBondContact O-N 3.49Å; C11-F95 HydrophobicContact CB-CZ 4.11Å; I14-F95 HydrophobicContact CB-CE2 4.19Å; I14-F95 HydrophobicContact CD1-CD2 3.39Å; I14-F95 HydrophobicContact CD1-CE2 3.75Å; I14-F95 HydrophobicContact CD1-CG 4.19Å; I14-F95 HydrophobicContact CG1-CE2 4.45Å; F85-F95 HydrophobicContact CD1-CE1 4.01Å; F85-F95 AromaticContact CD1-CZ 3.99Å; F85-F95 HydrophobicContact CD1-CZ 3.99Å; F85-F95 HydrophobicContact CD2-CE1 4.15Å; F85-F95 AromaticContact CE1-CE1 3.49Å; F85-F95 HydrophobicContact CE1-CE1 3.49Å; F85-F95 VanDerWaalsContact CE1-CE1 3.49Å; F85-F95 HydrophobicContact CE1-CE2 4.36Å; F85-F95 AromaticContact CE1-CZ 3.24Å; F85-F95 HydrophobicContact CE1-CZ 3.24Å; F85-F95 HydrophobicContact CE2-CD1 4.38Å; F85-F95 AromaticContact CE2-CE1 3.66Å; F85-F95 HydrophobicContact CE2-CE1 3.66Å; F85-F95 HydrophobicContact CE2-CZ 4.22Å; F85-F95 HydrophobicContact CG-CE1 4.3Å; F85-F95 HydrophobicContact CZ-CD1 4.22Å; F85-F95 AromaticContact CZ-CE1 3.29Å; F85-F95 HydrophobicContact CZ-CE1 3.29Å; F85-F95 HydrophobicContact CZ-CE2 4.36Å; F85-F95 AromaticContact CZ-CZ 3.37Å; F85-F95 HydrophobicContact CZ-CZ 3.37Å; R89-F95 HydrophobicContact CB-CE1 3.85Å; R89-F95 HydrophobicContact CB-CE2 4.1Å; R89-F95 HydrophobicContact CB-CZ 3.59Å; R89-F95 HydrophobicContact CG-CD2 4.11Å; R89-F95 HydrophobicContact CG-CE1 4.18Å; R89-F95 HydrophobicContact CG-CE2 3.5Å; R89-F95 HydrophobicContact CG-CZ 3.53Å
96Y93.2Very high94.8Very high56 Ų5642.9 Ų42.922%0.2221%0.212CC..  trans-106.8161.8169.4-70.1-91.7000108.6K6 L92 W98 S99K6-Y96 HydrophobicContact CB-CE1 4.15Å; K6-Y96 HydrophobicContact CD-CE2 4.38Å; K6-Y96 HydrophobicContact CG-CE2 4.43Å; L92-Y96 HydrophobicContact CB-CD2 4.25Å; L92-Y96 HydrophobicContact CB-CE2 3.97Å; L92-Y96 HydrophobicContact CD1-CD2 3.97Å; L92-Y96 HydrophobicContact CD1-CE2 4.38Å; Y96-W98 PolarHBondContact O-N 3.29Å; Y96-S99 PolarHBondContact N-OG 3.25Å; Y96-S99 PolarHBondContact O-N 3.48Å; Y96-S99 PolarHBondContact O-OG 3.01Å
97P90.8Very high94.8Very high22 Ų2244 Ų4414%0.14322%0.219CC..THydrogen-bonded Turntrans-54.1-35.1-178.2-24.229.6000113.7A2 H395 F431A2-P97 VanDerWaalsContact O-CG 3.28Å; A2-P97 WeakPolarHBondContact O-CG 3.46Å; P97-H395 PolarHBondContact O-CE1 3.27Å; P97-F431 HydrophobicContact CB-CD1 4.27Å; P97-F431 HydrophobicContact CB-CD2 4.38Å; P97-F431 HydrophobicContact CB-CG 4.16Å; P97-F431 HydrophobicContact CG-CD1 3.53Å; P97-F431 HydrophobicContact CG-CD2 4.43Å; P97-F431 HydrophobicContact CG-CE1 3.62Å; P97-F431 HydrophobicContact CG-CE2 4.48Å; P97-F431 HydrophobicContact CG-CG 3.93Å; P97-F431 HydrophobicContact CG-CZ 4.08Å
98W92.9Very high94.9Very high120 Ų12040.6 Ų40.646%0.45520%0.201SC..THydrogen-bonded Turntrans-88.5-25.6-178.269.2-92.1000113.3L92 Y96 F102 G103L92-W98 HydrophobicContact CD1-CH2 4.41Å; L92-W98 HydrophobicContact CD1-CZ2 4.21Å; Y96-W98 PolarHBondContact O-N 3.29Å; W98-F102 PolarHBondContact O-N 3.23Å; W98-F102 VanDerWaalsContact O-N 3.13Å; W98-G103 PolarHBondContact O-N 3.45Å
99S94.3Very high94.9Very high1 Ų139.2 Ų39.21%0.00719%0.194CC..Iπ-helixtrans-76.7-35.3-166.471.10000113.2Y96 G101 A104Y96-S99 PolarHBondContact N-OG 3.25Å; Y96-S99 PolarHBondContact O-N 3.48Å; Y96-S99 PolarHBondContact O-OG 3.01Å; S99-G101 VanDerWaalsContact C-N 3.25Å; S99-G101 PolarHBondContact O-N 3.35Å; S99-A104 PolarHBondContact O-N 3.48Å
100S91.9Very high95.1Very high0 Ų041.4 Ų41.40%020%0.203CC..Iπ-helixtrans-68.2-21.2-179.358.80000113.9F85F85-S100 WeakPolarHBondContact CD2-O 3.44Å; F85-S100 WeakPolarHBondContact CE2-O 3.38Å
101G94.9Very high95.2Very high0 Ų036.6 Ų36.60%019%0.185CC..Iπ-helixtrans-123.2-79.9-177.500000112.2S99 G103 A104 A105S99-G101 VanDerWaalsContact C-N 3.25Å; S99-G101 PolarHBondContact O-N 3.35Å; G101-G103 PolarHBondContact O-N 3.05Å; G101-A104 PolarHBondContact O-N 2.93Å; G101-A105 VanDerWaalsContact O-CB 3.26Å; G101-A105 WeakPolarHBondContact O-CB 3.49Å; G101-A105 PolarHBondContact O-N 3.1Å
102F97.1Very high95.3Very high61 Ų6130.2 Ų30.227%0.26815%0.152SC..Iπ-helixtrans-58.2-49.5-175.6-175.3-87000111.6W98 A104 A105 L106 I388 A391 I392 H395W98-F102 PolarHBondContact O-N 3.23Å; W98-F102 VanDerWaalsContact O-N 3.13Å; F102-A104 PolarHBondContact O-N 3.14Å; F102-A105 PolarHBondContact O-N 2.98Å; F102-L106 HydrophobicContact CE1-CB 4.5Å; F102-L106 HydrophobicContact CE1-CD2 3.98Å; F102-L106 HydrophobicContact CZ-CD1 4.27Å; F102-L106 HydrophobicContact CZ-CD2 4.45Å; F102-L106 WeakPolarHBondContact O-CB 3.47Å; F102-L106 PolarHBondContact O-N 3.09Å; F102-I388 HydrophobicContact CE2-CG2 4.49Å; F102-A391 HydrophobicContact CD2-CB 3.53Å; F102-A391 HydrophobicContact CE2-CB 3.67Å; F102-A391 HydrophobicContact CG-CB 4Å; F102-A391 HydrophobicContact CZ-CB 4.25Å; F102-I392 HydrophobicContact CD2-CG1 4.33Å; F102-I392 HydrophobicContact CE2-CG1 4.12Å; F102-H395 HydrophobicContact CB-CB 4.01Å
103G96.6Very high95.4Very high8 Ų827.6 Ų27.68%0.08214%0.138CC..Iπ-helixtrans-59.3-44.8-177.500000113L88 W98 G101 P107L88-G103 WeakPolarHBondContact CD1-O 3.3Å; W98-G103 PolarHBondContact O-N 3.45Å; G101-G103 PolarHBondContact O-N 3.05Å; G103-P107 WeakPolarHBondContact O-CD 3.32Å
104A97.3Very high95.6Very high0 Ų029.5 Ų29.50%014%0.139CC..Hα-helixtrans-71.3-39.717900000112.7F81 F84 F85 L88 S99 G101 F102 A108F81-A104 HydrophobicContact CD2-CB 3.95Å; F81-A104 HydrophobicContact CE2-CB 3.8Å; F84-A104 HydrophobicContact CB-CB 4.29Å; F84-A104 WeakPolarHBondContact CB-O 3.21Å; F85-A104 HydrophobicContact CB-CB 3.98Å; L88-A104 HydrophobicContact CD1-CB 4.15Å; L88-A104 VanDerWaalsContact CD1-N 3.31Å; S99-A104 PolarHBondContact O-N 3.48Å; G101-A104 PolarHBondContact O-N 2.93Å; F102-A104 PolarHBondContact O-N 3.14Å; A104-A108 WeakPolarHBondContact O-CB 3.44Å
105A98Very high95.8Very high1 Ų132.9 Ų32.91%0.00816%0.157CC..Hα-helixtrans-77.4-28.7-175.200000113.7F81 G101 F102 A108 S109 A391 F394F81-A105 HydrophobicContact CD2-CB 3.82Å; F81-A105 HydrophobicContact CE2-CB 4.1Å; G101-A105 VanDerWaalsContact O-CB 3.26Å; G101-A105 WeakPolarHBondContact O-CB 3.49Å; G101-A105 PolarHBondContact O-N 3.1Å; F102-A105 PolarHBondContact O-N 2.98Å; A105-A108 PolarHBondContact O-N 3.14Å; A105-S109 VanDerWaalsContact O-CB 3.23Å; A105-S109 WeakPolarHBondContact O-CB 3.5Å; A105-S109 PolarHBondContact O-N 2.92Å; A105-S109 PolarHBondContact O-OG 3.29Å; A105-A391 HydrophobicContact CB-CB 4.23Å; A105-F394 HydrophobicContact CB-CB 3.43Å; A105-F394 VanDerWaalsContact CB-CB 3.43Å; A105-F394 HydrophobicContact CB-CD1 4.23Å; A105-F394 HydrophobicContact CB-CD2 4.38Å; A105-F394 HydrophobicContact CB-CG 3.77Å
106L98.3Very high95.8Very high58 Ų5832.9 Ų32.930%0.30416%0.157SC..Hα-helixtrans-59.4-58.1-179-173.274000113F102 A108 S109 Y110 A387 I388 A391F102-L106 HydrophobicContact CE1-CB 4.5Å; F102-L106 HydrophobicContact CE1-CD2 3.98Å; F102-L106 HydrophobicContact CZ-CD1 4.27Å; F102-L106 HydrophobicContact CZ-CD2 4.45Å; F102-L106 WeakPolarHBondContact O-CB 3.47Å; F102-L106 PolarHBondContact O-N 3.09Å; L106-A108 PolarHBondContact O-N 3.07Å; L106-S109 PolarHBondContact O-OG 2.93Å; L106-Y110 WeakPolarHBondContact O-CB 3.43Å; L106-Y110 PolarHBondContact O-N 3.02Å; L106-A387 HydrophobicContact CD1-CB 4.16Å; L106-I388 HydrophobicContact CD1-CG1 3.93Å; L106-A391 HydrophobicContact CB-CB 3.94Å; L106-A391 HydrophobicContact CD1-CB 4.06Å
107P97.9Very high95.7Very high40 Ų4032.8 Ų32.826%0.2616%0.156SC..Hα-helixtrans-67.1-35.3177.328.3-35000112.3F84 G103 S109 Y110 I111F84-P107 HydrophobicContact CB-CG 4.26Å; F84-P107 HydrophobicContact CD1-CB 4.22Å; F84-P107 HydrophobicContact CD1-CG 3.74Å; F84-P107 HydrophobicContact CD2-CB 4.18Å; F84-P107 HydrophobicContact CD2-CG 3.89Å; F84-P107 HydrophobicContact CE1-CB 3.95Å; F84-P107 HydrophobicContact CE1-CG 4Å; F84-P107 HydrophobicContact CE2-CB 3.91Å; F84-P107 HydrophobicContact CE2-CG 4.14Å; F84-P107 HydrophobicContact CG-CB 4.34Å; F84-P107 HydrophobicContact CG-CG 3.7Å; F84-P107 HydrophobicContact CZ-CB 3.79Å; F84-P107 HydrophobicContact CZ-CG 4.2Å; G103-P107 WeakPolarHBondContact O-CD 3.32Å; P107-S109 PolarHBondContact O-N 2.85Å; P107-Y110 PolarHBondContact O-N 3.25Å; P107-I111 WeakPolarHBondContact O-CG1 3.46Å; P107-I111 PolarHBondContact O-N 3.46Å
108A97.9Very high95.6Very high0 Ų039.6 Ų39.60%018%0.184CC..Hα-helixtrans-58.4-50.6177.100000112L80 F81 F84 A104 A105 L106 A112L80-A108 HydrophobicContact CB-CB 3.66Å; F81-A108 HydrophobicContact CB-CB 4.36Å; F84-A108 HydrophobicContact CD2-CB 3.9Å; F84-A108 HydrophobicContact CE2-CB 4.47Å; A104-A108 WeakPolarHBondContact O-CB 3.44Å; A105-A108 PolarHBondContact O-N 3.14Å; L106-A108 PolarHBondContact O-N 3.07Å; A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.39Å; A108-A112 PolarHBondContact O-N 2.94Å
109S97.8Very high95.3Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-74-32.4-177.360.50000112.6N77 A105 L106 P107 A112 I113 A387N77-S109 WeakPolarHBondContact OD1-CA 3.25Å; A105-S109 VanDerWaalsContact O-CB 3.23Å; A105-S109 WeakPolarHBondContact O-CB 3.5Å; A105-S109 PolarHBondContact O-N 2.92Å; A105-S109 PolarHBondContact O-OG 3.29Å; L106-S109 PolarHBondContact O-OG 2.93Å; P107-S109 PolarHBondContact O-N 2.85Å; S109-A112 PolarHBondContact O-N 3.32Å; S109-I113 WeakPolarHBondContact O-CG2 3.37Å; S109-I113 PolarHBondContact O-N 3.14Å; S109-A387 VanDerWaalsContact OG-CA 3.28Å; S109-A387 WeakPolarHBondContact OG-CA 3.2Å; S109-A387 PolarHBondContact OG-O 2.88Å
110Y97.8Very high95Very high102 Ų10240.9 Ų40.940%0.420%0.204SC..Hα-helixtrans-61.8-49172.1-174-92.2000111.6L106 P107 I113 L114 T383 A387L106-Y110 WeakPolarHBondContact O-CB 3.43Å; L106-Y110 PolarHBondContact O-N 3.02Å; P107-Y110 PolarHBondContact O-N 3.25Å; Y110-I113 WeakPolarHBondContact O-CG2 3.42Å; Y110-L114 HydrophobicContact CD1-CD1 4.07Å; Y110-L114 HydrophobicContact CE1-CD1 3.7Å; Y110-L114 WeakPolarHBondContact O-CG 3.39Å; Y110-L114 PolarHBondContact O-N 2.91Å; Y110-T383 HydrophobicContact CD2-CG2 3.87Å; Y110-T383 HydrophobicContact CE2-CG2 3.65Å; Y110-A387 HydrophobicContact CD2-CB 4.21Å
111I97.5Very high95Very high73 Ų7342 Ų4237%0.37421%0.209SC..Hα-helixtrans-65.5-42.6177.1-66.4168000110.4L80 F84 P107 I113 L114L80-I111 HydrophobicContact CD1-CB 3.78Å; L80-I111 HydrophobicContact CD1-CD1 4.18Å; L80-I111 HydrophobicContact CD1-CG2 3.6Å; F84-I111 HydrophobicContact CE2-CD1 3.95Å; F84-I111 HydrophobicContact CZ-CD1 3.83Å; P107-I111 WeakPolarHBondContact O-CG1 3.46Å; P107-I111 PolarHBondContact O-N 3.46Å; I111-I113 PolarHBondContact O-N 3.5Å; I111-L114 PolarHBondContact O-N 3.3Å
112A97.3Very high94.7Very high0 Ų043.6 Ų43.60%023%0.225CC..Hα-helixtrans-59.5-51.4-179.700000111.8F73 T76 N77 A108 S109 L114 L115 E116F73-A112 HydrophobicContact CD2-CB 4Å; F73-A112 VanDerWaalsContact CD2-O 3.22Å; F73-A112 WeakPolarHBondContact CD2-O 3.5Å; F73-A112 HydrophobicContact CE2-CB 4.15Å; T76-A112 HydrophobicContact CG2-CB 4.29Å; N77-A112 HydrophobicContact CB-CB 3.6Å; A108-A112 VanDerWaalsContact O-CB 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.39Å; A108-A112 PolarHBondContact O-N 2.94Å; S109-A112 PolarHBondContact O-N 3.32Å; A112-L114 PolarHBondContact O-N 3.47Å; A112-L115 VanDerWaalsContact O-CB 3.29Å; A112-L115 WeakPolarHBondContact O-CB 3.47Å; A112-L115 PolarHBondContact O-N 2.81Å; A112-E116 PolarHBondContact O-N 3.43Å
113I96.5Very high94.2Very high0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-64.4-25.9-175.8-165.964.4000112.9F73 S109 Y110 I111 L115 E116 R121 L124 T383 Y386F73-I113 HydrophobicContact CE2-CB 4.31Å; F73-I113 HydrophobicContact CE2-CD1 3.89Å; F73-I113 HydrophobicContact CZ-CD1 4.09Å; S109-I113 WeakPolarHBondContact O-CG2 3.37Å; S109-I113 PolarHBondContact O-N 3.14Å; Y110-I113 WeakPolarHBondContact O-CG2 3.42Å; I111-I113 PolarHBondContact O-N 3.5Å; I113-L115 VanDerWaalsContact C-N 3.25Å; I113-L115 PolarHBondContact O-N 3.21Å; I113-E116 HydrophobicContact CD1-CB 4.28Å; I113-E116 PolarHBondContact O-N 3.49Å; I113-E116 VanDerWaalsContact O-N 3.16Å; I113-R121 HydrophobicContact CD1-CB 4.38Å; I113-R121 HydrophobicContact CD1-CG 4.06Å; I113-R121 HydrophobicContact CG1-CB 4.49Å; I113-R121 HydrophobicContact CG1-CG 4.1Å; I113-R121 PolarHBondContact O-NE 3.46Å; I113-R121 VanDerWaalsContact O-NE 3.17Å; I113-L124 HydrophobicContact CD1-CB 4.46Å; I113-L124 HydrophobicContact CD1-CD1 4.19Å; I113-T383 HydrophobicContact CG2-CG2 3.62Å; I113-Y386 HydrophobicContact CB-CD1 3.46Å; I113-Y386 VanDerWaalsContact CB-CD1 3.46Å; I113-Y386 HydrophobicContact CB-CE1 3.73Å; I113-Y386 HydrophobicContact CB-CG 4.14Å; I113-Y386 HydrophobicContact CD1-CD1 4Å; I113-Y386 HydrophobicContact CD1-CD2 3.98Å; I113-Y386 HydrophobicContact CD1-CE1 4.13Å; I113-Y386 HydrophobicContact CD1-CE2 4.11Å; I113-Y386 HydrophobicContact CD1-CG 3.93Å; I113-Y386 HydrophobicContact CG1-CD1 3.72Å; I113-Y386 HydrophobicContact CG1-CD2 4.41Å; I113-Y386 HydrophobicContact CG1-CE1 4.2Å; I113-Y386 HydrophobicContact CG1-CG 3.85Å; I113-Y386 HydrophobicContact CG2-CD1 3.83Å; I113-Y386 HydrophobicContact CG2-CE1 4.43Å
114L95.3Very high94Very high76 Ų7646.9 Ų46.940%0.39824%0.243SC..Hα-helixtrans-66.5-26.1172.3-68.7177.3000113Y110 I111 A112 R121 T383Y110-L114 HydrophobicContact CD1-CD1 4.07Å; Y110-L114 HydrophobicContact CE1-CD1 3.7Å; Y110-L114 WeakPolarHBondContact O-CG 3.39Å; Y110-L114 PolarHBondContact O-N 2.91Å; I111-L114 PolarHBondContact O-N 3.3Å; A112-L114 PolarHBondContact O-N 3.47Å; L114-R121 PolarHBondContact O-NH2 2.95Å; L114-T383 HydrophobicContact CD2-CG2 3.99Å; L114-T383 HydrophobicContact CG-CG2 4.4Å
115L94.4Very high93.8Very high72 Ų7247.3 Ų47.338%0.37725%0.245SC..Hα-helixtrans-73.8-29.6171.9-61.5177.4000112.1W69 T76 A112 I113W69-L115 PolarHBondContact NE1-O 2.86Å; T76-L115 HydrophobicContact CG2-CD1 3.7Å; T76-L115 WeakPolarHBondContact OG1-CD1 3.47Å; A112-L115 VanDerWaalsContact O-CB 3.29Å; A112-L115 WeakPolarHBondContact O-CB 3.47Å; A112-L115 PolarHBondContact O-N 2.81Å; I113-L115 VanDerWaalsContact C-N 3.25Å; I113-L115 PolarHBondContact O-N 3.21Å
116E94.5Very high93.4Very high1 Ų148.4 Ų48.41%0.00525%0.251CS..SBendtrans-72.6152.1-178.1-171.957.8-89.700111.8S70 F73 A112 I113 R120 R121 L124S70-E116 WeakPolarHBondContact CB-OE2 3.38Å; S70-E116 PolarHBondContact OG-OE1 3.22Å; S70-E116 PolarHBondContact OG-OE2 3.49Å; F73-E116 HydrophobicContact CB-CB 4.03Å; F73-E116 HydrophobicContact CD1-CB 4.29Å; F73-E116 HydrophobicContact CD1-CG 4.23Å; F73-E116 WeakPolarHBondContact CD1-OE2 3.4Å; F73-E116 HydrophobicContact CD2-CB 3.9Å; F73-E116 HydrophobicContact CE2-CB 4.39Å; F73-E116 HydrophobicContact CG-CB 3.8Å; F73-E116 HydrophobicContact CG-CG 4.24Å; A112-E116 PolarHBondContact O-N 3.43Å; I113-E116 HydrophobicContact CD1-CB 4.28Å; I113-E116 PolarHBondContact O-N 3.49Å; I113-E116 VanDerWaalsContact O-N 3.16Å; E116-R120 HydrophobicContact CG-CB 4.22Å; E116-R120 IonicContact OE1-NH1 2.69Å; E116-R120 IonicContact OE2-CZ 2.97Å; E116-R120 IonicContact OE2-NH1 2.73Å; E116-R120 PolarHBondContact OE2-NH1 3.46Å; E116-R121 VanDerWaalsContact O-CZ 3.28Å; E116-R121 PolarHBondContact O-NE 3.17Å; E116-R121 PolarHBondContact O-NH2 3.49Å; E116-L124 HydrophobicContact CG-CD1 3.76Å
117R90.4Very high93.1Very high53 Ų5351 Ų5120%0.226%0.257CS..  trans-65.1135.9179.9-73176.5-82.1163.8-17.1111.8Y45 E66 S70 S119 R120 R121Y45-R117 PolarHBondContact OH-NH2 3.25Å; E66-R117 VanDerWaalsContact C-NH2 3.29Å; E66-R117 VanDerWaalsContact CA-NH2 3.3Å; E66-R117 VanDerWaalsContact CG-CZ 3.48Å; E66-R117 PolarHBondContact O-NH2 3.35Å; E66-R117 IonicContact OE1-NH1 3.19Å; E66-R117 IonicContact OE2-CZ 3.6Å; E66-R117 IonicContact OE2-NH1 3.73Å; E66-R117 PolarHBondContact OE2-NH1 2.86Å; E66-R117 IonicContact OE2-NH2 2.75Å; S70-R117 PolarHBondContact OG-NH2 3.19Å; R117-S119 PolarHBondContact O-N 3.09Å; R117-S119 VanDerWaalsContact O-N 3.09Å; R117-R120 PolarHBondContact O-N 3.27Å; R117-R121 PolarHBondContact O-N 2.95Å
118K89.1Confident92.9Very high165 Ų16549.4 Ų49.472%0.71725%0.246SC*.Hα-helixtrans-49.8-39.5-179.3-70.2-171.4177.8-177.10113.3R120 R121K118-R120 PolarHBondContact O-N 2.7Å; K118-R121 PolarHBondContact O-N 3.46Å
119S86.3Confident92.7Very high106 Ų10650.4 Ų50.474%0.74125%0.254SS*.Hα-helixtrans-64.3-19.5179.859.20000115R117R117-S119 PolarHBondContact O-N 3.09Å; R117-S119 VanDerWaalsContact O-N 3.09Å
120R87.6Confident92.5Very high42 Ų4251.3 Ų51.316%0.15826%0.259CS..Hα-helixtrans-103.2-19180-68.7-171.764.4-131.8-15.4113.8Y45 S70 E116 R117 K118 G122 L123 L124Y45-R120 WeakPolarHBondContact OH-CD 3.5Å; Y45-R120 VanDerWaalsContact OH-CZ 3.32Å; Y45-R120 PolarHBondContact OH-NE 2.88Å; Y45-R120 PolarHBondContact OH-NH1 2.67Å; S70-R120 PolarHBondContact OG-NH1 2.92Å; E116-R120 HydrophobicContact CG-CB 4.22Å; E116-R120 IonicContact OE1-NH1 2.69Å; E116-R120 IonicContact OE2-CZ 2.97Å; E116-R120 IonicContact OE2-NH1 2.73Å; E116-R120 PolarHBondContact OE2-NH1 3.46Å; R117-R120 PolarHBondContact O-N 3.27Å; K118-R120 PolarHBondContact O-N 2.7Å; R120-G122 PolarHBondContact O-N 3.18Å; R120-L123 PolarHBondContact O-N 3.45Å; R120-L124 HydrophobicContact CB-CD1 4.42Å; R120-L124 WeakPolarHBondContact O-CG 3.33Å; R120-L124 PolarHBondContact O-N 2.72Å; R120-L124 VanDerWaalsContact O-N 3.09Å
121R91.8Very high92.3Very high25 Ų2546.6 Ų46.69%0.09424%0.241CC..Hα-helixtrans-55.9-52.2-176.9-64.6-177-168.2-173.6-0.3111.3I113 L114 E116 R117 K118 L123 L124 T125 D382I113-R121 HydrophobicContact CD1-CB 4.38Å; I113-R121 HydrophobicContact CD1-CG 4.06Å; I113-R121 HydrophobicContact CG1-CB 4.49Å; I113-R121 HydrophobicContact CG1-CG 4.1Å; I113-R121 PolarHBondContact O-NE 3.46Å; I113-R121 VanDerWaalsContact O-NE 3.17Å; L114-R121 PolarHBondContact O-NH2 2.95Å; E116-R121 VanDerWaalsContact O-CZ 3.28Å; E116-R121 PolarHBondContact O-NE 3.17Å; E116-R121 PolarHBondContact O-NH2 3.49Å; R117-R121 PolarHBondContact O-N 2.95Å; K118-R121 PolarHBondContact O-N 3.46Å; R121-L123 VanDerWaalsContact C-N 3.32Å; R121-L123 PolarHBondContact O-N 2.95Å; R121-L124 PolarHBondContact O-N 3.22Å; R121-T125 WeakPolarHBondContact O-CB 3.21Å; R121-T125 PolarHBondContact O-N 3.11Å; R121-T125 PolarHBondContact O-OG1 2.82Å; R121-D382 VanDerWaalsContact CB-OD2 3.27Å; R121-D382 WeakPolarHBondContact CB-OD2 3.26Å
122G88.8Confident92.2Very high32 Ų3243.2 Ų43.233%0.3322%0.224SC..Hα-helixtrans-54.5-42.6179.200000114.1R120 T125 I126R120-G122 PolarHBondContact O-N 3.18Å; G122-T125 PolarHBondContact O-N 3.18Å; G122-I126 WeakPolarHBondContact O-CD1 3.33Å; G122-I126 VanDerWaalsContact O-CG1 3.24Å; G122-I126 WeakPolarHBondContact O-CG1 3.44Å; G122-I126 PolarHBondContact O-N 3.45Å
123L87.1Confident92Very high112 Ų11245.9 Ų45.959%0.58624%0.243SC*.Hα-helixtrans-66.9-42177.7-176.467000112.1R120 R121 Y127R120-L123 PolarHBondContact O-N 3.45Å; R121-L123 VanDerWaalsContact C-N 3.32Å; R121-L123 PolarHBondContact O-N 2.95Å; L123-Y127 WeakPolarHBondContact O-CB 3.31Å; L123-Y127 PolarHBondContact O-N 3.44Å
124L91.9Very high91.8Very high27 Ų2747.1 Ų47.114%0.14125%0.248CC..Hα-helixtrans-66.7-40.5177.4-71.2167.3000111.6F73 I113 E116 R120 R121 Y127 M128 Y386F73-L124 HydrophobicContact CE1-CD1 3.74Å; F73-L124 HydrophobicContact CE1-CD2 4.48Å; F73-L124 HydrophobicContact CZ-CD1 3.93Å; I113-L124 HydrophobicContact CD1-CB 4.46Å; I113-L124 HydrophobicContact CD1-CD1 4.19Å; E116-L124 HydrophobicContact CG-CD1 3.76Å; R120-L124 HydrophobicContact CB-CD1 4.42Å; R120-L124 WeakPolarHBondContact O-CG 3.33Å; R120-L124 PolarHBondContact O-N 2.72Å; R120-L124 VanDerWaalsContact O-N 3.09Å; R121-L124 PolarHBondContact O-N 3.22Å; L124-Y127 PolarHBondContact O-N 3.46Å; L124-M128 WeakPolarHBondContact O-CB 3.23Å; L124-M128 PolarHBondContact O-N 2.89Å; L124-Y386 HydrophobicContact CB-CD2 4.27Å; L124-Y386 HydrophobicContact CB-CE2 4.18Å
125T93.4Very high91.8Very high9 Ų943.5 Ų43.56%0.05523%0.23CC..Hα-helixtrans-58.8-49.4174.9-580000110.9R121 G122 Y127 M128 A129 D382 I385R121-T125 WeakPolarHBondContact O-CB 3.21Å; R121-T125 PolarHBondContact O-N 3.11Å; R121-T125 PolarHBondContact O-OG1 2.82Å; G122-T125 PolarHBondContact O-N 3.18Å; T125-Y127 VanDerWaalsContact C-N 3.34Å; T125-Y127 PolarHBondContact O-N 3.49Å; T125-M128 PolarHBondContact O-N 3.44Å; T125-A129 VanDerWaalsContact O-CB 3.23Å; T125-A129 WeakPolarHBondContact O-CB 3.39Å; T125-A129 PolarHBondContact O-N 3.19Å; T125-D382 WeakPolarHBondContact CG2-O 3.16Å; T125-D382 PolarHBondContact OG1-O 3.24Å; T125-I385 HydrophobicContact CG2-CB 3.65Å; T125-I385 HydrophobicContact CG2-CG2 3.51Å
126I90.4Very high91.8Very high24 Ų2444.1 Ų44.112%0.12323%0.233CC..Hα-helixtrans-62.4-43.7179-66.8163000110.8G122 M128 A129 N130 Y356 K360 E363G122-I126 WeakPolarHBondContact O-CD1 3.33Å; G122-I126 VanDerWaalsContact O-CG1 3.24Å; G122-I126 WeakPolarHBondContact O-CG1 3.44Å; G122-I126 PolarHBondContact O-N 3.45Å; I126-M128 PolarHBondContact O-N 2.9Å; I126-A129 PolarHBondContact O-N 3.43Å; I126-N130 WeakPolarHBondContact O-CB 3.42Å; I126-N130 PolarHBondContact O-N 3.44Å; I126-N130 PolarHBondContact O-ND2 3.27Å; I126-Y356 HydrophobicContact CG2-CD2 4.08Å; I126-Y356 HydrophobicContact CG2-CE2 4.18Å; I126-K360 HydrophobicContact CD1-CD 4.15Å; I126-E363 VanDerWaalsContact CD1-OE2 3.23Å; I126-E363 WeakPolarHBondContact CD1-OE2 3.5Å
127Y91.2Very high91.8Very high112 Ų11249 Ų4944%0.43925%0.254SS..Hα-helixtrans-58.7-49.1176.3169.8-97.7000111.5L123 L124 T125 N130 L131L123-Y127 WeakPolarHBondContact O-CB 3.31Å; L123-Y127 PolarHBondContact O-N 3.44Å; L124-Y127 PolarHBondContact O-N 3.46Å; T125-Y127 VanDerWaalsContact C-N 3.34Å; T125-Y127 PolarHBondContact O-N 3.49Å; Y127-N130 PolarHBondContact O-N 2.81Å; Y127-L131 PolarHBondContact O-N 2.93Å; Y127-L131 VanDerWaalsContact O-N 3.11Å
128M94.5Very high91.9Very high7 Ų750.6 Ų50.63%0.03426%0.26CS..Hα-helixtrans-68.8-39.2-179.2-78.1-49.5-4200112.8L124 T125 I126 N130 L131 A132 Y386 C393 Y408L124-M128 WeakPolarHBondContact O-CB 3.23Å; L124-M128 PolarHBondContact O-N 2.89Å; T125-M128 PolarHBondContact O-N 3.44Å; I126-M128 PolarHBondContact O-N 2.9Å; M128-N130 VanDerWaalsContact C-N 3.34Å; M128-N130 PolarHBondContact O-N 3.47Å; M128-L131 HydrophobicContact CE-CB 4.43Å; M128-L131 HydrophobicContact CE-CD2 3.88Å; M128-L131 PolarHBondContact O-N 3.49Å; M128-L131 HydrophobicContact SD-CD2 4.24Å; M128-A132 WeakPolarHBondContact O-CB 3.36Å; M128-A132 PolarHBondContact O-N 2.87Å; M128-Y386 HydrophobicContact CB-CD2 4.11Å; M128-Y386 HydrophobicContact CB-CE2 4.27Å; M128-Y386 HydrophobicContact CG-CD2 3.85Å; M128-Y386 HydrophobicContact CG-CE2 3.5Å; M128-C393 HydrophobicContact CE-CB 3.95Å; M128-C393 WeakPolarHBondContact CE-SG 3.49Å; M128-Y408 HydrophobicContact SD-CE2 4.26Å
129A94.1Very high92.1Very high20 Ų2043.2 Ų43.217%0.16523%0.228CC..Hα-helixtrans-62.4-40.9176.500000111.8T125 I126 A132 S133 I385 S389T125-A129 VanDerWaalsContact O-CB 3.23Å; T125-A129 WeakPolarHBondContact O-CB 3.39Å; T125-A129 PolarHBondContact O-N 3.19Å; I126-A129 PolarHBondContact O-N 3.43Å; A129-A132 PolarHBondContact O-N 3.44Å; A129-S133 WeakPolarHBondContact O-CB 3.22Å; A129-S133 PolarHBondContact O-N 2.95Å; A129-S133 PolarHBondContact O-OG 2.88Å; A129-I385 HydrophobicContact CB-CG2 4.02Å; A129-S389 WeakPolarHBondContact CA-OG 3.39Å
130N92.7Very high92.5Very high19 Ų1939.1 Ų39.110%0.10220%0.201CC..Hα-helixtrans-63.5-45175.1-71.8-15.2000111.7I126 Y127 M128 S133 E134 S359I126-N130 WeakPolarHBondContact O-CB 3.42Å; I126-N130 PolarHBondContact O-N 3.44Å; I126-N130 PolarHBondContact O-ND2 3.27Å; Y127-N130 PolarHBondContact O-N 2.81Å; M128-N130 VanDerWaalsContact C-N 3.34Å; M128-N130 PolarHBondContact O-N 3.47Å; N130-S133 PolarHBondContact O-N 2.68Å; N130-E134 WeakPolarHBondContact O-CB 3.46Å; N130-E134 PolarHBondContact O-N 3.48Å; N130-S359 VanDerWaalsContact OD1-CB 3.27Å; N130-S359 WeakPolarHBondContact OD1-CB 2.97Å; N130-S359 PolarHBondContact OD1-OG 3.24Å
131L93.5Very high92.8Very high4 Ų439.2 Ų39.22%0.02121%0.206CC..Hα-helixtrans-64.7-41.3178.1-178.164.5000111.8Y127 M128 E134 T135 R405 Y408Y127-L131 PolarHBondContact O-N 2.93Å; Y127-L131 VanDerWaalsContact O-N 3.11Å; M128-L131 HydrophobicContact CE-CB 4.43Å; M128-L131 HydrophobicContact CE-CD2 3.88Å; M128-L131 PolarHBondContact O-N 3.49Å; M128-L131 HydrophobicContact SD-CD2 4.24Å; L131-E134 PolarHBondContact O-N 3.32Å; L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 PolarHBondContact O-N 2.97Å; L131-T135 PolarHBondContact O-OG1 3.22Å; L131-R405 HydrophobicContact CD1-CB 3.64Å; L131-Y408 HydrophobicContact CD2-CD1 3.69Å; L131-Y408 HydrophobicContact CD2-CD2 3.4Å; L131-Y408 VanDerWaalsContact CD2-CD2 3.4Å; L131-Y408 HydrophobicContact CD2-CE1 3.94Å; L131-Y408 HydrophobicContact CD2-CE2 3.66Å; L131-Y408 HydrophobicContact CD2-CG 3.39Å
132A95.9Very high92.7Very high2 Ų241.5 Ų41.52%0.01722%0.223CC..Hα-helixtrans-64.1-43.8175.900000111.4M128 A129 E134 T135 L136 I392M128-A132 WeakPolarHBondContact O-CB 3.36Å; M128-A132 PolarHBondContact O-N 2.87Å; A129-A132 PolarHBondContact O-N 3.44Å; A132-E134 PolarHBondContact O-N 2.68Å; A132-T135 WeakPolarHBondContact O-CB 3.45Å; A132-T135 PolarHBondContact O-N 2.73Å; A132-L136 WeakPolarHBondContact O-CG 3.35Å; A132-L136 PolarHBondContact O-N 3.17Å; A132-I392 HydrophobicContact CB-CB 4.25Å; A132-I392 HydrophobicContact CB-CD1 4.43Å; A132-I392 HydrophobicContact CB-CG2 4.13Å
133S93.4Very high92.8Very high56 Ų5646.5 Ų46.539%0.39223%0.232SC..Hα-helixtrans-62.2-43.4176.8-57.40000111.9A129 N130 T135 L136 F137A129-S133 WeakPolarHBondContact O-CB 3.22Å; A129-S133 PolarHBondContact O-N 2.95Å; A129-S133 PolarHBondContact O-OG 2.88Å; N130-S133 PolarHBondContact O-N 2.68Å; S133-T135 VanDerWaalsContact C-N 3.31Å; S133-T135 PolarHBondContact O-N 3.42Å; S133-L136 PolarHBondContact O-N 2.92Å; S133-F137 WeakPolarHBondContact O-CB 3.12Å; S133-F137 PolarHBondContact O-N 3.06Å
134E91.4Very high93.1Very high25 Ų2544.1 Ų44.112%0.11723%0.234CC..Hα-helixtrans-60.9-41.8173.9-174.9-177.2168.100111.3N130 L131 A132 F137 R138N130-E134 WeakPolarHBondContact O-CB 3.46Å; N130-E134 PolarHBondContact O-N 3.48Å; L131-E134 PolarHBondContact O-N 3.32Å; A132-E134 PolarHBondContact O-N 2.68Å; E134-F137 PolarHBondContact O-N 3.18Å; E134-R138 VanDerWaalsContact O-CG 3.31Å; E134-R138 WeakPolarHBondContact O-CG 3.25Å; E134-R138 PolarHBondContact O-N 3.34Å; E134-R138 IonicContact OE1-CZ 4Å; E134-R138 VanDerWaalsContact OE1-CZ 3.32Å; E134-R138 IonicContact OE1-NE 2.7Å; E134-R138 PolarHBondContact OE1-NE 3.46Å; E134-R138 IonicContact OE1-NH2 3.88Å; E134-R138 PolarHBondContact OE1-NH2 3.25Å
135T94.9Very high93.2Very high1 Ų148.9 Ų48.91%0.00626%0.258CS..Hα-helixtrans-65.9-47.6179.2-56.20000111.1L131 A132 S133 F137 R138 M139 A396 L404L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 PolarHBondContact O-N 2.97Å; L131-T135 PolarHBondContact O-OG1 3.22Å; A132-T135 WeakPolarHBondContact O-CB 3.45Å; A132-T135 PolarHBondContact O-N 2.73Å; S133-T135 VanDerWaalsContact C-N 3.31Å; S133-T135 PolarHBondContact O-N 3.42Å; T135-F137 VanDerWaalsContact C-N 3.33Å; T135-F137 PolarHBondContact O-N 3.49Å; T135-R138 PolarHBondContact O-N 2.85Å; T135-M139 HydrophobicContact CG2-SD 4.04Å; T135-M139 VanDerWaalsContact O-CG 3.25Å; T135-M139 WeakPolarHBondContact O-CG 3.44Å; T135-M139 PolarHBondContact O-N 2.9Å; T135-A396 HydrophobicContact CG2-CB 3.34Å; T135-L404 HydrophobicContact CG2-CD1 4.13Å
136L95.6Very high93.2Very high84 Ų8451.1 Ų51.144%0.4427%0.272SS..Hα-helixtrans-60.2-42.1176-73174.7000112A132 S133 M139 A140 I392A132-L136 WeakPolarHBondContact O-CG 3.35Å; A132-L136 PolarHBondContact O-N 3.17Å; S133-L136 PolarHBondContact O-N 2.92Å; L136-M139 HydrophobicContact CD2-SD 4.41Å; L136-M139 PolarHBondContact O-N 3.41Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.22Å; L136-I392 HydrophobicContact CD1-CD1 4.1Å; L136-I392 HydrophobicContact CD1-CG2 4.42Å; L136-I392 HydrophobicContact CD2-CG2 3.84Å; L136-I392 HydrophobicContact CG-CG2 3.84Å
137F93.1Very high93.3Very high104 Ų10459 Ų5946%0.45631%0.305SS..Hα-helixtrans-60.9-46.9175.7176.3-98.8000111.4S133 E134 T135 M139 A140 V141 V146 P148S133-F137 WeakPolarHBondContact O-CB 3.12Å; S133-F137 PolarHBondContact O-N 3.06Å; E134-F137 PolarHBondContact O-N 3.18Å; T135-F137 VanDerWaalsContact C-N 3.33Å; T135-F137 PolarHBondContact O-N 3.49Å; F137-M139 PolarHBondContact O-N 2.65Å; F137-A140 PolarHBondContact O-N 2.84Å; F137-V141 HydrophobicContact CD1-CG2 4.29Å; F137-V141 HydrophobicContact CE1-CG2 3.87Å; F137-V141 HydrophobicContact CE2-CG2 4.25Å; F137-V141 HydrophobicContact CZ-CG2 3.84Å; F137-V141 WeakPolarHBondContact O-CG2 3.29Å; F137-V141 PolarHBondContact O-N 3.21Å; F137-V146 HydrophobicContact CD2-CG1 4.46Å; F137-V146 HydrophobicContact CE2-CG1 3.82Å; F137-P148 HydrophobicContact CZ-CB 4.31Å
138R92.8Very high93.3Very high87 Ų8757.6 Ų57.633%0.32831%0.31SS..Hα-helixtrans-61.7-42.1176.4-71.6168.2-179.9-116.53111.9E134 T135 V141 T142 N403E134-R138 VanDerWaalsContact O-CG 3.31Å; E134-R138 WeakPolarHBondContact O-CG 3.25Å; E134-R138 PolarHBondContact O-N 3.34Å; E134-R138 IonicContact OE1-CZ 4Å; E134-R138 VanDerWaalsContact OE1-CZ 3.32Å; E134-R138 IonicContact OE1-NE 2.7Å; E134-R138 PolarHBondContact OE1-NE 3.46Å; E134-R138 IonicContact OE1-NH2 3.88Å; E134-R138 PolarHBondContact OE1-NH2 3.25Å; T135-R138 PolarHBondContact O-N 2.85Å; R138-V141 PolarHBondContact O-N 2.89Å; R138-T142 WeakPolarHBondContact O-CB 3.3Å; R138-T142 PolarHBondContact O-N 3.46Å; R138-T142 PolarHBondContact O-OG1 3.48Å; R138-T142 VanDerWaalsContact O-OG1 3.07Å; R138-N403 HydrophobicContact CB-CB 4.03Å; R138-N403 WeakPolarHBondContact CD-O 3.31Å; R138-N403 PolarHBondContact O-OD1 3.08Å
139M93.9Very high93.1Very high10 Ų1063.1 Ų63.15%0.04934%0.338CS..Hα-helixtrans-60.3-44.9173.9-67.6168.175.300111.4T135 L136 F137 V141 T142 R143 A396 E400 N403T135-M139 HydrophobicContact CG2-SD 4.04Å; T135-M139 VanDerWaalsContact O-CG 3.25Å; T135-M139 WeakPolarHBondContact O-CG 3.44Å; T135-M139 PolarHBondContact O-N 2.9Å; L136-M139 HydrophobicContact CD2-SD 4.41Å; L136-M139 PolarHBondContact O-N 3.41Å; F137-M139 PolarHBondContact O-N 2.65Å; M139-V141 VanDerWaalsContact C-N 3.32Å; M139-V141 PolarHBondContact O-N 3.14Å; M139-T142 PolarHBondContact O-N 3.15Å; M139-R143 VanDerWaalsContact CE-NH2 3.28Å; M139-R143 WeakPolarHBondContact O-CB 3.42Å; M139-R143 WeakPolarHBondContact O-CD 3.2Å; M139-R143 WeakPolarHBondContact O-CG 3.27Å; M139-R143 PolarHBondContact O-N 3.05Å; M139-A396 HydrophobicContact SD-CB 4.31Å; M139-E400 VanDerWaalsContact CE-OE1 3.28Å; M139-E400 WeakPolarHBondContact CE-OE1 3.5Å; M139-N403 HydrophobicContact CG-CB 3.66Å
140A94.3Very high93Very high19 Ų1973.1 Ų73.116%0.15737%0.372CS..Hα-helixtrans-63.4-36.9177.700000112.5L136 F137 G144 I145 V146L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.22Å; F137-A140 PolarHBondContact O-N 2.84Å; A140-G144 PolarHBondContact O-N 2.88Å; A140-I145 HydrophobicContact CB-CB 4.35Å; A140-I145 WeakPolarHBondContact O-CB 3.31Å; A140-I145 PolarHBondContact O-N 3.36Å; A140-V146 HydrophobicContact CB-CB 4.29Å; A140-V146 HydrophobicContact CB-CG2 3.9Å; A140-V146 PolarHBondContact O-N 3.39Å
141V93.3Very high92.9Very high44 Ų4476.3 Ų76.327%0.26739%0.386SS..Hα-helixtrans-66.7-48.6173.9171.10000111.3F137 R138 M139 R143 G144 V146 P148F137-V141 HydrophobicContact CD1-CG2 4.29Å; F137-V141 HydrophobicContact CE1-CG2 3.87Å; F137-V141 HydrophobicContact CE2-CG2 4.25Å; F137-V141 HydrophobicContact CZ-CG2 3.84Å; F137-V141 WeakPolarHBondContact O-CG2 3.29Å; F137-V141 PolarHBondContact O-N 3.21Å; R138-V141 PolarHBondContact O-N 2.89Å; M139-V141 VanDerWaalsContact C-N 3.32Å; M139-V141 PolarHBondContact O-N 3.14Å; V141-R143 PolarHBondContact O-N 3.43Å; V141-G144 PolarHBondContact O-N 2.9Å; V141-V146 WeakPolarHBondContact CA-O 3.31Å; V141-V146 HydrophobicContact CG2-CB 4.43Å; V141-P148 HydrophobicContact CG1-CG 4.2Å; V141-P148 HydrophobicContact CG2-CB 4.41Å
142T91.4Very high92.8Very high74 Ų7477.1 Ų77.145%0.45440%0.396SS..Hα-helixtrans-61.8-32.3179.3-62.30000112.1R138 M139 G144 N403R138-T142 WeakPolarHBondContact O-CB 3.3Å; R138-T142 PolarHBondContact O-N 3.46Å; R138-T142 PolarHBondContact O-OG1 3.48Å; R138-T142 VanDerWaalsContact O-OG1 3.07Å; M139-T142 PolarHBondContact O-N 3.15Å; T142-G144 VanDerWaalsContact C-N 3.28Å; T142-G144 PolarHBondContact O-N 3.28Å; T142-N403 PolarHBondContact OG1-OD1 3.28Å
143R91Very high92.6Very high137 Ų13779.1 Ų79.152%0.51740%0.404SS..THydrogen-bonded Turntrans-82.40.7175.2-65.7169.3-174.8-167.4-2.4113.9M139 V141 I145 E400M139-R143 VanDerWaalsContact CE-NH2 3.28Å; M139-R143 WeakPolarHBondContact O-CB 3.42Å; M139-R143 WeakPolarHBondContact O-CD 3.2Å; M139-R143 WeakPolarHBondContact O-CG 3.27Å; M139-R143 PolarHBondContact O-N 3.05Å; V141-R143 PolarHBondContact O-N 3.43Å; R143-I145 HydrophobicContact CB-CD1 4.07Å; R143-I145 HydrophobicContact CB-CG1 4.04Å; R143-I145 PolarHBondContact O-N 2.66Å; R143-E400 IonicContact CZ-OE1 3.92Å; R143-E400 IonicContact NE-OE1 3.59Å; R143-E400 IonicContact NH2-OE1 3.99Å; R143-E400 PolarHBondContact NH2-OE1 3.35Å
144G92.3Very high92.7Very high62 Ų6276.6 Ų76.664%0.63939%0.387SS*.THydrogen-bonded Turntrans71.69.5-179.300000115.3A140 V141 T142A140-G144 PolarHBondContact O-N 2.88Å; V141-G144 PolarHBondContact O-N 2.9Å; T142-G144 VanDerWaalsContact C-N 3.28Å; T142-G144 PolarHBondContact O-N 3.28Å
145I95.1Very high92.9Very high126 Ų12679.2 Ų79.265%0.64640%0.401SS*.SBendtrans-72.9-38.3179.9-57.7173.1000110.5A140 R143A140-I145 HydrophobicContact CB-CB 4.35Å; A140-I145 WeakPolarHBondContact O-CB 3.31Å; A140-I145 PolarHBondContact O-N 3.36Å; R143-I145 HydrophobicContact CB-CD1 4.07Å; R143-I145 HydrophobicContact CB-CG1 4.04Å; R143-I145 PolarHBondContact O-N 2.66Å
146V93.5Very high93Very high56 Ų5681.3 Ų81.334%0.33941%0.412SS..SBendtrans-124.7132.6-176.91790000109.9F137 A140 V141F137-V146 HydrophobicContact CD2-CG1 4.46Å; F137-V146 HydrophobicContact CE2-CG1 3.82Å; A140-V146 HydrophobicContact CB-CB 4.29Å; A140-V146 HydrophobicContact CB-CG2 3.9Å; A140-V146 PolarHBondContact O-N 3.39Å; V141-V146 WeakPolarHBondContact CA-O 3.31Å; V141-V146 HydrophobicContact CG2-CB 4.43Å
147K92.4Very high93Very high189 Ų18977.7 Ų77.782%0.82239%0.393SS*.PPolyproline II helixtrans-90.9123.7171.3-66.9-178.4-178.6177.20109.4I149K147-I149 PolarHBondContact O-N 2.87Å
148P90.3Very high93.2Very high84 Ų8473 Ų7355%0.54537%0.373SS..PPolyproline II helixtrans-68.2133.4-178.227.6-33.5000110.9F137 V141F137-P148 HydrophobicContact CZ-CB 4.31Å; V141-P148 HydrophobicContact CG1-CG 4.2Å; V141-P148 HydrophobicContact CG2-CB 4.41Å
149I91.3Very high93.5Very high122 Ų12272.4 Ų72.463%0.62638%0.375SS*.PPolyproline II helixtrans-83.1131.5176.5-56.7173.7000108.7K147 H151 G152K147-I149 PolarHBondContact O-N 2.87Å; I149-H151 PolarHBondContact O-N 3.11Å; I149-G152 PolarHBondContact O-N 3.48Å; I149-G152 VanDerWaalsContact O-N 3.09Å
150R90.6Very high93.6Very high231 Ų23172 Ų7287%0.87237%0.374SS*.THydrogen-bonded Turntrans-60125.8173.7-71.5-174.6178.6173.50.5109.6G152R150-G152 PolarHBondContact O-N 2.78Å
151H91.8Very high93.8Very high85 Ų8571.3 Ų71.339%0.39437%0.368SS..THydrogen-bonded Turntrans59.330.8-176.5-50.1-46.4000114.1I149 E153 V154 L155 F346 K349I149-H151 PolarHBondContact O-N 3.11Å; H151-E153 WeakPolarHBondContact CA-OE2 3.33Å; H151-E153 IonicContact ND1-OE1 3.7Å; H151-E153 PolarHBondContact O-N 3.42Å; H151-E153 VanDerWaalsContact O-N 3.14Å; H151-V154 HydrophobicContact CB-CB 4.36Å; H151-V154 HydrophobicContact CB-CG2 4.25Å; H151-V154 WeakPolarHBondContact O-CB 3.32Å; H151-V154 PolarHBondContact O-N 2.75Å; H151-L155 PolarHBondContact O-N 3.28Å; H151-F346 HydrophobicContact CB-CE1 4.01Å; H151-F346 HydrophobicContact CB-CZ 4.19Å; H151-F346 AromaticContact CD2-CE1 3.64Å; H151-F346 AromaticContact CG-CE1 3.7Å; H151-K349 PolarHBondContact CE1-NZ 3.42Å; H151-K349 PolarHBondContact ND1-NZ 2.83Å
152G91.1Very high94Very high22 Ų2270 Ų7023%0.22736%0.36CS..Hα-helixtrans-55.2-30.117700000113.6I149 R150 V154 L155 L156I149-G152 PolarHBondContact O-N 3.48Å; I149-G152 VanDerWaalsContact O-N 3.09Å; R150-G152 PolarHBondContact O-N 2.78Å; G152-V154 VanDerWaalsContact C-N 3.28Å; G152-V154 PolarHBondContact O-N 2.67Å; G152-L155 PolarHBondContact O-N 3.43Å; G152-L156 VanDerWaalsContact O-CB 3.31Å; G152-L156 WeakPolarHBondContact O-CB 3.5Å; G152-L156 PolarHBondContact O-N 3.23Å
153E91.5Very high94.2Very high43 Ų4368.9 Ų68.920%0.20135%0.351CS..Hα-helixtrans-65.5-28.617472.6-74.5178.500113.6H151 F157 T354H151-E153 WeakPolarHBondContact CA-OE2 3.33Å; H151-E153 IonicContact ND1-OE1 3.7Å; H151-E153 PolarHBondContact O-N 3.42Å; H151-E153 VanDerWaalsContact O-N 3.14Å; E153-F157 WeakPolarHBondContact O-CB 3.34Å; E153-F157 PolarHBondContact O-N 2.82Å; E153-T354 WeakPolarHBondContact O-CG2 3.31Å; E153-T354 PolarHBondContact O-OG1 3.09Å
154V96Very high94.5Very high4 Ų463.2 Ų63.22%0.02433%0.331CS..Hα-helixtrans-77.8-45.1174.8177.50000109.5H151 G152 L156 F157 C158 M345 F346 K349H151-V154 HydrophobicContact CB-CB 4.36Å; H151-V154 HydrophobicContact CB-CG2 4.25Å; H151-V154 WeakPolarHBondContact O-CB 3.32Å; H151-V154 PolarHBondContact O-N 2.75Å; G152-V154 VanDerWaalsContact C-N 3.28Å; G152-V154 PolarHBondContact O-N 2.67Å; V154-L156 PolarHBondContact O-N 2.92Å; V154-F157 CarbonylContact O-C 2.92Å; V154-F157 WeakPolarHBondContact O-CB 3.35Å; V154-F157 PolarHBondContact O-N 3.37Å; V154-F157 VanDerWaalsContact O-N 3.14Å; V154-C158 PolarHBondContact O-N 2.88Å; V154-C158 PolarHBondContact O-SG 3.48Å; V154-M345 HydrophobicContact CG1-CB 4.18Å; V154-M345 HydrophobicContact CG2-CB 4.23Å; V154-M345 HydrophobicContact CG2-CG 4.29Å; V154-F346 HydrophobicContact CB-CE2 4.39Å; V154-F346 HydrophobicContact CB-CZ 4.37Å; V154-F346 HydrophobicContact CG1-CD2 3.8Å; V154-F346 HydrophobicContact CG1-CE2 3.6Å; V154-F346 HydrophobicContact CG1-CG 4.41Å; V154-F346 HydrophobicContact CG1-CZ 4.07Å; V154-F346 HydrophobicContact CG2-CD1 4.28Å; V154-F346 HydrophobicContact CG2-CE1 4.26Å; V154-F346 HydrophobicContact CG2-CG 4.4Å; V154-F346 HydrophobicContact CG2-CZ 4.39Å; V154-K349 HydrophobicContact CG2-CG 4.35Å
155L96Very high94.7Very high79 Ų7960.4 Ų60.441%0.41430%0.301SS..Hα-helixtrans-59.5-47.3177.1178.861.8000111.6H151 G152 F157 C158 I159 F339H151-L155 PolarHBondContact O-N 3.28Å; G152-L155 PolarHBondContact O-N 3.43Å; L155-F157 VanDerWaalsContact C-N 3.26Å; L155-F157 PolarHBondContact O-N 3.18Å; L155-C158 WeakPolarHBondContact O-CB 3.14Å; L155-C158 PolarHBondContact O-N 3.04Å; L155-C158 VanDerWaalsContact O-N 3.1Å; L155-I159 HydrophobicContact CD1-CD1 4.42Å; L155-I159 HydrophobicContact CG-CD1 4.28Å; L155-I159 WeakPolarHBondContact O-CG1 3.21Å; L155-I159 PolarHBondContact O-N 3.47Å; L155-F339 HydrophobicContact CD1-CE2 4.42Å; L155-F339 HydrophobicContact CD1-CZ 4.26Å
156L95.2Very high94.7Very high45 Ų4556.6 Ų56.624%0.23628%0.28CS..Hα-helixtrans-60.8-38176.5-178.162.7000111.2G152 V154 T160 T354 M355 F358G152-L156 VanDerWaalsContact O-CB 3.31Å; G152-L156 WeakPolarHBondContact O-CB 3.5Å; G152-L156 PolarHBondContact O-N 3.23Å; V154-L156 PolarHBondContact O-N 2.92Å; L156-T160 VanDerWaalsContact O-CB 3.27Å; L156-T160 WeakPolarHBondContact O-CB 3.29Å; L156-T160 PolarHBondContact O-N 3.16Å; L156-T160 PolarHBondContact O-OG1 3.01Å; L156-T354 HydrophobicContact CB-CG2 3.72Å; L156-T354 HydrophobicContact CD2-CG2 3.72Å; L156-T354 HydrophobicContact CG-CG2 3.65Å; L156-M355 HydrophobicContact CD2-SD 3.76Å; L156-F358 HydrophobicContact CD1-CB 4.49Å; L156-F358 HydrophobicContact CD1-CD1 4.49Å; L156-F358 HydrophobicContact CD1-CD2 3.61Å; L156-F358 HydrophobicContact CD1-CE2 3.87Å; L156-F358 HydrophobicContact CD1-CG 3.94Å; L156-F358 HydrophobicContact CD1-CZ 4.42Å; L156-F358 HydrophobicContact CD2-CB 4.41Å; L156-F358 HydrophobicContact CD2-CG 4.38Å; L156-F358 HydrophobicContact CG-CB 4.4Å; L156-F358 HydrophobicContact CG-CD2 4.37Å; L156-F358 HydrophobicContact CG-CG 4.33Å
157F96.9Very high94.7Very high9 Ų954.6 Ų54.64%0.03927%0.267CS..Hα-helixtrans-66.6-39.2173.8-177.1-97000112.2E153 V154 L155 T160 A161 F307 F311 G342 M345 T354 L357E153-F157 WeakPolarHBondContact O-CB 3.34Å; E153-F157 PolarHBondContact O-N 2.82Å; V154-F157 CarbonylContact O-C 2.92Å; V154-F157 WeakPolarHBondContact O-CB 3.35Å; V154-F157 PolarHBondContact O-N 3.37Å; V154-F157 VanDerWaalsContact O-N 3.14Å; L155-F157 VanDerWaalsContact C-N 3.26Å; L155-F157 PolarHBondContact O-N 3.18Å; F157-T160 PolarHBondContact O-N 3.5Å; F157-A161 HydrophobicContact CE1-CB 4.28Å; F157-A161 WeakPolarHBondContact O-CB 3.34Å; F157-A161 PolarHBondContact O-N 2.96Å; F157-F307 AromaticContact CE1-CE2 3.73Å; F157-F307 HydrophobicContact CE1-CE2 3.73Å; F157-F307 HydrophobicContact CE1-CZ 4.08Å; F157-F307 HydrophobicContact CE2-CZ 4.11Å; F157-F307 AromaticContact CZ-CE2 3.68Å; F157-F307 HydrophobicContact CZ-CE2 3.68Å; F157-F307 AromaticContact CZ-CZ 3.53Å; F157-F307 HydrophobicContact CZ-CZ 3.53Å; F157-F311 AromaticContact CE1-CD2 3.9Å; F157-F311 HydrophobicContact CE1-CD2 3.9Å; F157-F311 AromaticContact CE1-CE2 3.78Å; F157-F311 HydrophobicContact CE1-CE2 3.78Å; F157-F311 HydrophobicContact CZ-CD2 4.13Å; F157-F311 AromaticContact CZ-CE2 3.9Å; F157-F311 HydrophobicContact CZ-CE2 3.9Å; F157-G342 WeakPolarHBondContact CD1-O 2.95Å; F157-M345 HydrophobicContact CB-CB 4.33Å; F157-M345 HydrophobicContact CB-CG 4.09Å; F157-M345 HydrophobicContact CD1-CB 3.64Å; F157-M345 HydrophobicContact CD1-CG 4.08Å; F157-M345 HydrophobicContact CD1-SD 4.21Å; F157-M345 HydrophobicContact CD2-SD 4.05Å; F157-M345 HydrophobicContact CE1-CB 4.19Å; F157-M345 HydrophobicContact CE1-SD 4.43Å; F157-M345 HydrophobicContact CE2-SD 4.29Å; F157-M345 HydrophobicContact CG-CB 4.09Å; F157-M345 HydrophobicContact CG-CG 4.01Å; F157-M345 HydrophobicContact CG-SD 4.01Å; F157-M345 HydrophobicContact CZ-SD 4.49Å; F157-T354 HydrophobicContact CB-CG2 3.97Å; F157-L357 HydrophobicContact CD2-CD1 4.08Å; F157-L357 HydrophobicContact CE2-CD1 3.54Å
158C97.7Very high94.7Very high5 Ų545.7 Ų45.73%0.03423%0.228CC..Hα-helixtrans-60.6-46.8176.2-61.70000111.7V154 L155 A161 S162 F339V154-C158 PolarHBondContact O-N 2.88Å; V154-C158 PolarHBondContact O-SG 3.48Å; L155-C158 WeakPolarHBondContact O-CB 3.14Å; L155-C158 PolarHBondContact O-N 3.04Å; L155-C158 VanDerWaalsContact O-N 3.1Å; C158-A161 PolarHBondContact O-N 3.03Å; C158-S162 VanDerWaalsContact O-CB 3.29Å; C158-S162 WeakPolarHBondContact O-CB 3.28Å; C158-S162 PolarHBondContact O-N 3.12Å; C158-F339 HydrophobicContact CB-CD2 3.7Å; C158-F339 HydrophobicContact CB-CE2 3.67Å; C158-F339 HydrophobicContact CB-CG 4.16Å; C158-F339 HydrophobicContact CB-CZ 4.1Å
159I97.6Very high94.8Very high74 Ų7442.2 Ų42.238%0.37920%0.204SC..Hα-helixtrans-62.7-45.8176.3-63167.2000110.3L155 S162 I163 F339L155-I159 HydrophobicContact CD1-CD1 4.42Å; L155-I159 HydrophobicContact CG-CD1 4.28Å; L155-I159 WeakPolarHBondContact O-CG1 3.21Å; L155-I159 PolarHBondContact O-N 3.47Å; I159-S162 WeakPolarHBondContact O-CB 3.37Å; I159-S162 PolarHBondContact O-N 3.38Å; I159-I163 HydrophobicContact CG2-CD1 4.12Å; I159-I163 WeakPolarHBondContact O-CG1 3.39Å; I159-I163 PolarHBondContact O-N 2.84Å; I159-I163 VanDerWaalsContact O-N 3.16Å; I159-F339 HydrophobicContact CG1-CE2 4.09Å
160T97Very high94.8Very high2 Ų237.2 Ų37.21%0.01218%0.18CC..Hα-helixtrans-62.2-46.4179.8-59.40000111.6L156 F157 I163 F164 L357 F358 L361L156-T160 VanDerWaalsContact O-CB 3.27Å; L156-T160 WeakPolarHBondContact O-CB 3.29Å; L156-T160 PolarHBondContact O-N 3.16Å; L156-T160 PolarHBondContact O-OG1 3.01Å; F157-T160 PolarHBondContact O-N 3.5Å; T160-I163 PolarHBondContact O-N 3.42Å; T160-F164 HydrophobicContact CG2-CD2 3.68Å; T160-F164 HydrophobicContact CG2-CE2 3.67Å; T160-F164 WeakPolarHBondContact O-CB 3.46Å; T160-F164 WeakPolarHBondContact O-CD2 3.46Å; T160-F164 PolarHBondContact O-N 3.48Å; T160-L357 HydrophobicContact CG2-CB 3.99Å; T160-F358 HydrophobicContact CG2-CB 4.48Å; T160-L361 HydrophobicContact CG2-CB 4.24Å; T160-L361 HydrophobicContact CG2-CD2 4.11Å
161A97.3Very high94.4Very high5 Ų531.8 Ų31.84%0.04117%0.168CC..Hα-helixtrans-63.3-45.6178.100000111.1F157 C158 I163 F164 M165 F311 G338F157-A161 HydrophobicContact CE1-CB 4.28Å; F157-A161 WeakPolarHBondContact O-CB 3.34Å; F157-A161 PolarHBondContact O-N 2.96Å; C158-A161 PolarHBondContact O-N 3.03Å; A161-I163 VanDerWaalsContact C-N 3.34Å; A161-I163 PolarHBondContact O-N 2.97Å; A161-F164 PolarHBondContact O-N 2.76Å; A161-M165 WeakPolarHBondContact O-CB 3.31Å; A161-M165 WeakPolarHBondContact O-CG 3.28Å; A161-M165 PolarHBondContact O-N 2.64Å; A161-F311 HydrophobicContact CB-CE2 3.79Å; A161-F311 HydrophobicContact CB-CZ 4.07Å; A161-G338 WeakPolarHBondContact CB-O 3.48Å
162S97.6Very high93.9Very high15 Ų1532.8 Ų32.811%0.10518%0.176CC..Hα-helixtrans-48.4-54.8174178.40000111.7C158 I159 M165 F166 L335C158-S162 VanDerWaalsContact O-CB 3.29Å; C158-S162 WeakPolarHBondContact O-CB 3.28Å; C158-S162 PolarHBondContact O-N 3.12Å; I159-S162 WeakPolarHBondContact O-CB 3.37Å; I159-S162 PolarHBondContact O-N 3.38Å; S162-M165 PolarHBondContact O-N 2.69Å; S162-F166 WeakPolarHBondContact O-CB 3.47Å; S162-F166 PolarHBondContact O-N 2.92Å; S162-L335 WeakPolarHBondContact CB-O 3.39Å; S162-L335 WeakPolarHBondContact OG-CA 3.43Å; S162-L335 WeakPolarHBondContact OG-CD2 3.3Å; S162-L335 PolarHBondContact OG-O 3.21Å
163I97Very high93.4Very high52 Ų5231.9 Ų31.927%0.26717%0.167SC..Hα-helixtrans-70.4-40.4-176.5-57166.2000111I159 T160 A161 M165 F166 L167 L361 M365I159-I163 HydrophobicContact CG2-CD1 4.12Å; I159-I163 WeakPolarHBondContact O-CG1 3.39Å; I159-I163 PolarHBondContact O-N 2.84Å; I159-I163 VanDerWaalsContact O-N 3.16Å; T160-I163 PolarHBondContact O-N 3.42Å; A161-I163 VanDerWaalsContact C-N 3.34Å; A161-I163 PolarHBondContact O-N 2.97Å; I163-M165 VanDerWaalsContact C-N 3.34Å; I163-M165 PolarHBondContact O-N 2.89Å; I163-F166 WeakPolarHBondContact O-CB 3.42Å; I163-F166 PolarHBondContact O-N 3.26Å; I163-L167 HydrophobicContact CG2-CD1 4.13Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 3.49Å; I163-L167 VanDerWaalsContact O-CG 3.3Å; I163-L167 WeakPolarHBondContact O-CG 3.46Å; I163-L167 PolarHBondContact O-N 2.76Å; I163-L361 HydrophobicContact CB-CD1 4.08Å; I163-L361 HydrophobicContact CB-CD2 3.8Å; I163-L361 HydrophobicContact CD1-CD2 3.88Å; I163-L361 HydrophobicContact CG1-CD2 4.39Å; I163-L361 HydrophobicContact CG2-CD1 3.63Å; I163-L361 HydrophobicContact CG2-CD2 4.11Å; I163-L361 HydrophobicContact CG2-CG 4.4Å; I163-M365 HydrophobicContact CG2-SD 4.46Å
164F96Very high93.3Very high18 Ų1830.3 Ų30.38%0.07916%0.16CC..Hα-helixtrans-61.3-41.5175-90.4-49.6000112.9T160 A161 F166 L167 F168 L174 L182 L357 K360 L361T160-F164 HydrophobicContact CG2-CD2 3.68Å; T160-F164 HydrophobicContact CG2-CE2 3.67Å; T160-F164 WeakPolarHBondContact O-CB 3.46Å; T160-F164 WeakPolarHBondContact O-CD2 3.46Å; T160-F164 PolarHBondContact O-N 3.48Å; A161-F164 PolarHBondContact O-N 2.76Å; F164-F166 VanDerWaalsContact C-N 3.35Å; F164-L167 PolarHBondContact O-N 3.03Å; F164-F168 VanDerWaalsContact O-CB 3.27Å; F164-F168 WeakPolarHBondContact O-CB 3.35Å; F164-F168 PolarHBondContact O-N 3.09Å; F164-L174 HydrophobicContact CD1-CD1 4.3Å; F164-L174 HydrophobicContact CD1-CD2 4.08Å; F164-L174 HydrophobicContact CE1-CD2 4.3Å; F164-L182 HydrophobicContact CB-CD1 4.3Å; F164-L357 HydrophobicContact CE2-CB 4.25Å; F164-L357 VanDerWaalsContact CE2-O 3.27Å; F164-L357 WeakPolarHBondContact CE2-O 3.37Å; F164-K360 HydrophobicContact CZ-CB 4.17Å; F164-L361 HydrophobicContact CD1-CD1 4.12Å; F164-L361 HydrophobicContact CD2-CB 4.42Å; F164-L361 HydrophobicContact CE1-CB 4.21Å; F164-L361 HydrophobicContact CE1-CD1 4.11Å; F164-L361 HydrophobicContact CE2-CB 3.79Å; F164-L361 HydrophobicContact CG-CD1 4.39Å; F164-L361 HydrophobicContact CZ-CB 3.67Å; F164-L361 HydrophobicContact CZ-CD1 4.39Å
165M96Very high92.7Very high2 Ų235.1 Ų35.11%0.0118%0.181CC..Hα-helixtrans-66.2-39.9177.7-68.8-51.6112.100111.3A161 S162 I163 F168 R169 L182 I186 F311 Y315 A334A161-M165 WeakPolarHBondContact O-CB 3.31Å; A161-M165 WeakPolarHBondContact O-CG 3.28Å; A161-M165 PolarHBondContact O-N 2.64Å; S162-M165 PolarHBondContact O-N 2.69Å; I163-M165 VanDerWaalsContact C-N 3.34Å; I163-M165 PolarHBondContact O-N 2.89Å; M165-F168 WeakPolarHBondContact O-CB 3.38Å; M165-F168 PolarHBondContact O-N 3.19Å; M165-R169 PolarHBondContact O-N 3.2Å; M165-R169 VanDerWaalsContact O-N 3.14Å; M165-L182 HydrophobicContact CE-CD1 3.99Å; M165-L182 HydrophobicContact CE-CD2 3.48Å; M165-L182 VanDerWaalsContact CE-CD2 3.48Å; M165-L182 HydrophobicContact CE-CG 4.35Å; M165-I186 HydrophobicContact CE-CD1 3.9Å; M165-I186 HydrophobicContact SD-CD1 3.25Å; M165-I186 WeakPolarHBondContact SD-CD1 3.32Å; M165-I186 HydrophobicContact SD-CG1 4.3Å; M165-F311 HydrophobicContact CE-CE1 3.87Å; M165-F311 HydrophobicContact CE-CZ 3.69Å; M165-F311 HydrophobicContact SD-CE1 4.22Å; M165-F311 HydrophobicContact SD-CZ 4.23Å; M165-Y315 HydrophobicContact CB-CD2 4.39Å; M165-Y315 HydrophobicContact CB-CE2 3.64Å; M165-Y315 HydrophobicContact CG-CD2 3.78Å; M165-Y315 HydrophobicContact CG-CE2 3.48Å; M165-Y315 VanDerWaalsContact CG-CE2 3.48Å; M165-Y315 HydrophobicContact SD-CD2 3.97Å; M165-Y315 HydrophobicContact SD-CE2 3.74Å; M165-Y315 HydrophobicContact SD-CG 4.49Å; M165-A334 HydrophobicContact CB-CB 4.08Å; M165-A334 WeakPolarHBondContact CB-O 3.4Å; M165-A334 WeakPolarHBondContact O-CB 3.31Å
166F95.6Very high92.3Very high47 Ų4734.1 Ų34.121%0.20619%0.189CC..Hα-helixtrans-57.7-55.9171.8177.1-104.1000111.5S162 I163 F164 F168 R169 S170 E331 L332 L335S162-F166 WeakPolarHBondContact O-CB 3.47Å; S162-F166 PolarHBondContact O-N 2.92Å; I163-F166 WeakPolarHBondContact O-CB 3.42Å; I163-F166 PolarHBondContact O-N 3.26Å; F164-F166 VanDerWaalsContact C-N 3.35Å; F166-F168 PolarHBondContact O-N 3.02Å; F166-F168 VanDerWaalsContact O-N 3.16Å; F166-R169 CarbonylContact O-C 3.15Å; F166-R169 PolarHBondContact O-N 3.21Å; F166-S170 PolarHBondContact O-N 3.4Å; F166-S170 PolarHBondContact O-OG 2.86Å; F166-S170 VanDerWaalsContact O-OG 3.08Å; F166-E331 HydrophobicContact CD2-CB 4.42Å; F166-E331 HydrophobicContact CE2-CB 4.2Å; F166-E331 HydrophobicContact CE2-CG 3.81Å; F166-L332 HydrophobicContact CE2-CD2 3.99Å; F166-L335 HydrophobicContact CB-CD2 3.45Å; F166-L335 VanDerWaalsContact CB-CD2 3.45Å; F166-L335 HydrophobicContact CB-CG 3.71Å; F166-L335 HydrophobicContact CD1-CD2 4.49Å; F166-L335 HydrophobicContact CD2-CD1 4.01Å; F166-L335 HydrophobicContact CD2-CD2 4.24Å; F166-L335 HydrophobicContact CD2-CG 3.76Å; F166-L335 HydrophobicContact CE2-CD1 4.46Å; F166-L335 HydrophobicContact CG-CD1 4.36Å; F166-L335 HydrophobicContact CG-CD2 3.82Å; F166-L335 HydrophobicContact CG-CG 3.86Å
167L93.9Very high91.8Very high13 Ų1340 Ų407%0.06821%0.214CC..Hα-helixtrans-59.9-30177.4-65.7177.3000112.7I163 F164 R169 G173 L174 L361 T364 M365 K368I163-L167 HydrophobicContact CG2-CD1 4.13Å; I163-L167 HydrophobicContact CG2-CG 4.26Å; I163-L167 WeakPolarHBondContact O-CB 3.49Å; I163-L167 VanDerWaalsContact O-CG 3.3Å; I163-L167 WeakPolarHBondContact O-CG 3.46Å; I163-L167 PolarHBondContact O-N 2.76Å; F164-L167 PolarHBondContact O-N 3.03Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-G173 CarbonylContact O-C 3.35Å; L167-G173 WeakPolarHBondContact O-CA 3.45Å; L167-L174 HydrophobicContact CB-CD1 4.29Å; L167-L174 HydrophobicContact CB-CD2 3.86Å; L167-L174 HydrophobicContact CB-CG 3.71Å; L167-L174 HydrophobicContact CD1-CD2 4.14Å; L167-L174 PolarHBondContact O-N 3.2Å; L167-L361 HydrophobicContact CD1-CD1 3.92Å; L167-T364 HydrophobicContact CD1-CG2 4.3Å; L167-M365 HydrophobicContact CD1-SD 3.98Å; L167-K368 HydrophobicContact CD2-CD 4.28Å
168F93.5Very high91.3Very high2 Ų241.2 Ų41.21%0.00923%0.225CC..Hα-helixtrans-67.5-32.7175.2178.4-110.5000112.7F164 M165 F166 L174 F179 L182 K183 I186 E190 I191F164-F168 VanDerWaalsContact O-CB 3.27Å; F164-F168 WeakPolarHBondContact O-CB 3.35Å; F164-F168 PolarHBondContact O-N 3.09Å; M165-F168 WeakPolarHBondContact O-CB 3.38Å; M165-F168 PolarHBondContact O-N 3.19Å; F166-F168 PolarHBondContact O-N 3.02Å; F166-F168 VanDerWaalsContact O-N 3.16Å; F168-L174 HydrophobicContact CB-CD1 3.83Å; F168-L174 HydrophobicContact CD2-CD1 4.46Å; F168-F179 AromaticContact CD2-CD2 3.8Å; F168-F179 HydrophobicContact CD2-CD2 3.8Å; F168-F179 HydrophobicContact CD2-CE2 4.03Å; F168-F179 AromaticContact CE2-CD2 3.83Å; F168-F179 HydrophobicContact CE2-CD2 3.83Å; F168-F179 AromaticContact CE2-CE2 3.78Å; F168-F179 HydrophobicContact CE2-CE2 3.78Å; F168-L182 HydrophobicContact CB-CD1 3.95Å; F168-L182 HydrophobicContact CD2-CB 3.63Å; F168-L182 HydrophobicContact CD2-CD1 4.22Å; F168-L182 HydrophobicContact CE2-CB 3.84Å; F168-L182 HydrophobicContact CG-CB 4.1Å; F168-L182 HydrophobicContact CG-CD1 4.22Å; F168-L182 HydrophobicContact CZ-CB 4.46Å; F168-K183 HydrophobicContact CE2-CB 4.07Å; F168-K183 HydrophobicContact CZ-CB 4.23Å; F168-I186 HydrophobicContact CD1-CD1 3.78Å; F168-I186 HydrophobicContact CE1-CB 4.34Å; F168-I186 HydrophobicContact CE1-CD1 3.84Å; F168-I186 HydrophobicContact CE1-CG2 4.37Å; F168-I186 HydrophobicContact CG-CD1 4.45Å; F168-E190 HydrophobicContact CE1-CB 4.3Å; F168-I191 HydrophobicContact CE1-CG1 4.22Å; F168-I191 HydrophobicContact CE2-CG1 4.37Å; F168-I191 HydrophobicContact CZ-CD1 4.22Å; F168-I191 HydrophobicContact CZ-CG1 3.71Å
169R91.8Very high90.9Very high11 Ų1143.7 Ų43.74%0.04224%0.235CC..Hα-helixtrans-94.3-12.6176.9-61.6-166.591.2-154.3-16.1113.8M165 F166 L167 E190 P192 Y315 D329 D330 E331 A334M165-R169 PolarHBondContact O-N 3.2Å; M165-R169 VanDerWaalsContact O-N 3.14Å; F166-R169 CarbonylContact O-C 3.15Å; F166-R169 PolarHBondContact O-N 3.21Å; L167-R169 VanDerWaalsContact C-N 3.32Å; R169-E190 WeakPolarHBondContact CG-O 3.5Å; R169-E190 IonicContact CZ-OE2 2.66Å; R169-E190 PolarHBondContact NE-O 3.14Å; R169-E190 IonicContact NE-OE2 3.7Å; R169-E190 IonicContact NH2-OE2 2.91Å; R169-P192 WeakPolarHBondContact O-CG 3.38Å; R169-Y315 VanDerWaalsContact CD-OH 3.31Å; R169-Y315 WeakPolarHBondContact CD-OH 3.04Å; R169-D329 IonicContact CZ-OD1 2.75Å; R169-D329 IonicContact NH1-OD1 2.65Å; R169-D329 IonicContact NH2-OD1 3.33Å; R169-D329 PolarHBondContact NH2-OD1 3.18Å; R169-D329 IonicContact NH2-OD2 3.65Å; R169-D329 PolarHBondContact NH2-OD2 3.3Å; R169-D330 PolarHBondContact NH1-O 2.95Å; R169-E331 HydrophobicContact CB-CB 4.33Å; R169-A334 HydrophobicContact CB-CB 4.27Å; R169-A334 VanDerWaalsContact CD-CB 3.43Å; R169-A334 HydrophobicContact CG-CB 3.9Å
170S90.3Very high90.6Very high17 Ų1743.6 Ų43.612%0.11924%0.241CC..SBendtrans-76.3145.4173.8-60.80000111.4F166 D172 G173 E331F166-S170 PolarHBondContact O-N 3.4Å; F166-S170 PolarHBondContact O-OG 2.86Å; F166-S170 VanDerWaalsContact O-OG 3.08Å; S170-D172 PolarHBondContact O-N 3.49Å; S170-G173 PolarHBondContact O-N 3.28Å; S170-E331 VanDerWaalsContact CA-OE2 3.24Å; S170-E331 WeakPolarHBondContact CA-OE2 3.31Å; S170-E331 VanDerWaalsContact CB-OE2 3.28Å; S170-E331 WeakPolarHBondContact CB-OE2 3.39Å; S170-E331 PolarHBondContact OG-OE2 3.48Å
171N82.2Confident90.3Very high118 Ų11845 Ų4563%0.63125%0.253SS*.THydrogen-bonded Turntrans-60.3127.2174.6-75.5-29.2000110.3G173 P192N171-G173 PolarHBondContact O-N 3.08Å; N171-G173 VanDerWaalsContact O-N 3.07Å; N171-P192 WeakPolarHBondContact OD1-CB 3.29Å
172D81Confident90.1Very high105 Ų10545.8 Ų45.856%0.56126%0.256SS*.THydrogen-bonded Turntrans52.526.6-174.9-148.726.9000113.9S170 K175 K368S170-D172 PolarHBondContact O-N 3.49Å; D172-K175 WeakPolarHBondContact OD1-CE 3.36Å; D172-K175 IonicContact OD1-NZ 2.65Å; D172-K175 WeakPolarHBondContact OD2-CE 3.46Å; D172-K175 IonicContact OD2-NZ 2.73Å; D172-K175 PolarHBondContact OD2-NZ 3.01Å; D172-K368 PolarHBondContact O-NZ 2.81Å
173G81.6Confident89.8Confident3 Ų348.6 Ų48.63%0.03127%0.266CS..  trans-78.4-30-172.500000114.9L167 S170 N171 K368L167-G173 CarbonylContact O-C 3.35Å; L167-G173 WeakPolarHBondContact O-CA 3.45Å; S170-G173 PolarHBondContact O-N 3.28Å; N171-G173 PolarHBondContact O-N 3.08Å; N171-G173 VanDerWaalsContact O-N 3.07Å; G173-K368 VanDerWaalsContact C-CE 3.43Å; G173-K368 WeakPolarHBondContact O-CE 3.39Å
174L88.3Confident89.6Confident11 Ų1151.2 Ų51.26%0.05828%0.276CS..  trans-133.3141.4171.7-70.1176000110.7F164 L167 F168 F179 L182 T364F164-L174 HydrophobicContact CD1-CD1 4.3Å; F164-L174 HydrophobicContact CD1-CD2 4.08Å; F164-L174 HydrophobicContact CE1-CD2 4.3Å; L167-L174 HydrophobicContact CB-CD1 4.29Å; L167-L174 HydrophobicContact CB-CD2 3.86Å; L167-L174 HydrophobicContact CB-CG 3.71Å; L167-L174 HydrophobicContact CD1-CD2 4.14Å; L167-L174 PolarHBondContact O-N 3.2Å; F168-L174 HydrophobicContact CB-CD1 3.83Å; F168-L174 HydrophobicContact CD2-CD1 4.46Å; L174-F179 HydrophobicContact CB-CB 3.96Å; L174-F179 HydrophobicContact CB-CD2 4.24Å; L174-L182 HydrophobicContact CD1-CD1 3.5Å; L174-T364 HydrophobicContact CD2-CG2 3.84Å
175K85.3Confident89.5Confident104 Ų10452.3 Ų52.345%0.45228%0.282SS..  trans-122.6158.7177.9-66175.1-178.81670111.1D172 E371D172-K175 WeakPolarHBondContact OD1-CE 3.36Å; D172-K175 IonicContact OD1-NZ 2.65Å; D172-K175 WeakPolarHBondContact OD2-CE 3.46Å; D172-K175 IonicContact OD2-NZ 2.73Å; D172-K175 PolarHBondContact OD2-NZ 3.01Å; K175-E371 IonicContact NZ-OE1 3.66Å; K175-E371 PolarHBondContact NZ-OE1 3Å; K175-E371 IonicContact NZ-OE2 2.88Å
176G86.1Confident89.3Confident58 Ų5852.3 Ų52.360%0.59828%0.283SS*.Hα-helixtrans65.9-137.5170.400000115.3A178 F179 S180G176-A178 PolarHBondContact O-N 2.93Å; G176-F179 PolarHBondContact O-N 3.06Å; G176-S180 PolarHBondContact O-N 2.99Å; G176-S180 VanDerWaalsContact O-N 3.15Å
177F84.4Confident89Confident170 Ų17050.5 Ų50.575%0.74628%0.277SS*.Hα-helixtrans-63.3-39.7-171.6178.9-98.8000113.3F179 S180 A181F177-F179 PolarHBondContact O-N 3.2Å; F177-S180 PolarHBondContact O-N 3.3Å; F177-A181 HydrophobicContact CE1-CB 4.34Å; F177-A181 HydrophobicContact CZ-CB 4.47Å; F177-A181 VanDerWaalsContact O-CB 3.32Å; F177-A181 WeakPolarHBondContact O-CB 3.3Å; F177-A181 PolarHBondContact O-N 3.19Å
178A87Confident88.7Confident33 Ų3356.8 Ų56.827%0.27330%0.303SS..Hα-helixtrans-62.6-44.7-17900000111.7G176 A181 L182G176-A178 PolarHBondContact O-N 2.93Å; A178-A181 PolarHBondContact O-N 3.4Å; A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 3.4Å
179F90.5Very high88.3Confident57 Ų5760 Ų6025%0.2532%0.319CS..Hα-helixtrans-61.5-46.7174.8-179.5-101.6000111.9F168 L174 G176 F177 A181 L182 K183 I191F168-F179 AromaticContact CD2-CD2 3.8Å; F168-F179 HydrophobicContact CD2-CD2 3.8Å; F168-F179 HydrophobicContact CD2-CE2 4.03Å; F168-F179 AromaticContact CE2-CD2 3.83Å; F168-F179 HydrophobicContact CE2-CD2 3.83Å; F168-F179 AromaticContact CE2-CE2 3.78Å; F168-F179 HydrophobicContact CE2-CE2 3.78Å; L174-F179 HydrophobicContact CB-CB 3.96Å; L174-F179 HydrophobicContact CB-CD2 4.24Å; G176-F179 PolarHBondContact O-N 3.06Å; F177-F179 PolarHBondContact O-N 3.2Å; F179-A181 PolarHBondContact O-N 2.99Å; F179-L182 PolarHBondContact O-N 3.16Å; F179-K183 HydrophobicContact CE1-CD 4.02Å; F179-K183 HydrophobicContact CZ-CD 4.46Å; F179-K183 WeakPolarHBondContact O-CB 3.31Å; F179-K183 PolarHBondContact O-N 3.14Å; F179-I191 HydrophobicContact CZ-CD1 4.01Å; F179-I191 HydrophobicContact CZ-CG2 4.48Å
180S90.7Very high88.1Confident73 Ų7359.5 Ų59.551%0.5132%0.317SS..Hα-helixtrans-61.5-43178.6-173.60000112.3G176 F177 K183 F184G176-S180 PolarHBondContact O-N 2.99Å; G176-S180 VanDerWaalsContact O-N 3.15Å; F177-S180 PolarHBondContact O-N 3.3Å; S180-K183 PolarHBondContact O-N 3.46Å; S180-F184 WeakPolarHBondContact O-CB 3.35Å; S180-F184 PolarHBondContact O-N 3.12Å
181A90.4Very high87.9Confident30 Ų3059.5 Ų59.525%0.24832%0.315CS..Hα-helixtrans-63.9-46.8177.700000111.8F177 A178 F179 F184 I185F177-A181 HydrophobicContact CE1-CB 4.34Å; F177-A181 HydrophobicContact CZ-CB 4.47Å; F177-A181 VanDerWaalsContact O-CB 3.32Å; F177-A181 WeakPolarHBondContact O-CB 3.3Å; F177-A181 PolarHBondContact O-N 3.19Å; A178-A181 PolarHBondContact O-N 3.4Å; F179-A181 PolarHBondContact O-N 2.99Å; A181-F184 WeakPolarHBondContact O-CB 3.33Å; A181-F184 PolarHBondContact O-N 2.95Å; A181-I185 WeakPolarHBondContact O-CB 3.29Å; A181-I185 WeakPolarHBondContact O-CD1 3.35Å; A181-I185 VanDerWaalsContact O-CG1 3.23Å; A181-I185 WeakPolarHBondContact O-CG1 3.45Å; A181-I185 PolarHBondContact O-N 3.22Å
182L92.6Very high87.5Confident23 Ų2355 Ų5512%0.1229%0.292CS..Hα-helixtrans-67.6-38.4177.7-69.5-177.3000112.4F164 M165 F168 L174 A178 F179 F184 I185 I186F164-L182 HydrophobicContact CB-CD1 4.3Å; M165-L182 HydrophobicContact CE-CD1 3.99Å; M165-L182 HydrophobicContact CE-CD2 3.48Å; M165-L182 VanDerWaalsContact CE-CD2 3.48Å; M165-L182 HydrophobicContact CE-CG 4.35Å; F168-L182 HydrophobicContact CB-CD1 3.95Å; F168-L182 HydrophobicContact CD2-CB 3.63Å; F168-L182 HydrophobicContact CD2-CD1 4.22Å; F168-L182 HydrophobicContact CE2-CB 3.84Å; F168-L182 HydrophobicContact CG-CB 4.1Å; F168-L182 HydrophobicContact CG-CD1 4.22Å; F168-L182 HydrophobicContact CZ-CB 4.46Å; L174-L182 HydrophobicContact CD1-CD1 3.5Å; A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 3.4Å; F179-L182 PolarHBondContact O-N 3.16Å; L182-F184 VanDerWaalsContact C-N 3.28Å; L182-F184 PolarHBondContact O-N 3.13Å; L182-I185 PolarHBondContact O-N 2.85Å; L182-I186 HydrophobicContact CB-CD1 4.15Å; L182-I186 HydrophobicContact CD2-CD1 4.34Å; L182-I186 WeakPolarHBondContact O-CB 3.16Å; L182-I186 WeakPolarHBondContact O-CG1 3.33Å; L182-I186 PolarHBondContact O-N 2.99Å
183K92.7Very high86.4Confident73 Ų7354.4 Ų54.432%0.31729%0.293SS..Hα-helixtrans-59.2-39.3172179.7172.3-174.5176.90112F168 F179 S180 G187 K188 I191F168-K183 HydrophobicContact CE2-CB 4.07Å; F168-K183 HydrophobicContact CZ-CB 4.23Å; F179-K183 HydrophobicContact CE1-CD 4.02Å; F179-K183 HydrophobicContact CZ-CD 4.46Å; F179-K183 WeakPolarHBondContact O-CB 3.31Å; F179-K183 PolarHBondContact O-N 3.14Å; S180-K183 PolarHBondContact O-N 3.46Å; K183-G187 WeakPolarHBondContact O-CA 3.3Å; K183-G187 PolarHBondContact O-N 3.31Å; K183-G187 VanDerWaalsContact O-N 3.09Å; K183-K188 HydrophobicContact CG-CG 4.31Å; K183-I191 HydrophobicContact CD-CD1 3.89Å; K183-I191 HydrophobicContact CG-CD1 3.96Å
184F92.6Very high84.9Confident107 Ų10762.3 Ų62.347%0.46933%0.328SS..Hα-helixtrans-69-40.9175.4175.7-98.1000112.7S180 A181 L182 R264 M265 I268S180-F184 WeakPolarHBondContact O-CB 3.35Å; S180-F184 PolarHBondContact O-N 3.12Å; A181-F184 WeakPolarHBondContact O-CB 3.33Å; A181-F184 PolarHBondContact O-N 2.95Å; L182-F184 VanDerWaalsContact C-N 3.28Å; L182-F184 PolarHBondContact O-N 3.13Å; F184-R264 PolarHBondContact O-NH2 3.19Å; F184-M265 HydrophobicContact CE1-CE 4.46Å; F184-I268 HydrophobicContact CE1-CD1 4.04Å; F184-I268 HydrophobicContact CZ-CD1 3.78Å
185I92.7Very high82.6Confident41 Ų4165 Ų6521%0.2135%0.348CS..Hα-helixtrans-72-51-177.5-71165.3000111.3A181 L182 M265 V312A181-I185 WeakPolarHBondContact O-CB 3.29Å; A181-I185 WeakPolarHBondContact O-CD1 3.35Å; A181-I185 VanDerWaalsContact O-CG1 3.23Å; A181-I185 WeakPolarHBondContact O-CG1 3.45Å; A181-I185 PolarHBondContact O-N 3.22Å; L182-I185 PolarHBondContact O-N 2.85Å; I185-M265 HydrophobicContact CB-CE 3.82Å; I185-M265 HydrophobicContact CG1-CE 3.55Å; I185-M265 HydrophobicContact CG2-CE 3.92Å; I185-V312 HydrophobicContact CG2-CG2 3.59Å
186I92.3Very high80.2Confident3 Ų365.5 Ų65.52%0.01536%0.356CS..Hα-helixtrans-87.9-48.4-169.9-59.4165000110.4M165 F168 L182 E190 Y315 K316M165-I186 HydrophobicContact CE-CD1 3.9Å; M165-I186 HydrophobicContact SD-CD1 3.25Å; M165-I186 WeakPolarHBondContact SD-CD1 3.32Å; M165-I186 HydrophobicContact SD-CG1 4.3Å; F168-I186 HydrophobicContact CD1-CD1 3.78Å; F168-I186 HydrophobicContact CE1-CB 4.34Å; F168-I186 HydrophobicContact CE1-CD1 3.84Å; F168-I186 HydrophobicContact CE1-CG2 4.37Å; F168-I186 HydrophobicContact CG-CD1 4.45Å; L182-I186 HydrophobicContact CB-CD1 4.15Å; L182-I186 HydrophobicContact CD2-CD1 4.34Å; L182-I186 WeakPolarHBondContact O-CB 3.16Å; L182-I186 WeakPolarHBondContact O-CG1 3.33Å; L182-I186 PolarHBondContact O-N 2.99Å; I186-E190 HydrophobicContact CG2-CB 3.86Å; I186-E190 HydrophobicContact CG2-CG 3.67Å; I186-Y315 HydrophobicContact CD1-CE1 4.37Å; I186-Y315 HydrophobicContact CG2-CD1 3.81Å; I186-Y315 HydrophobicContact CG2-CE1 3.54Å; I186-K316 WeakPolarHBondContact O-CE 3.35Å; I186-K316 PolarHBondContact O-NZ 2.87Å
187G88.6Confident77.5Confident8 Ų872 Ų728%0.08237%0.373CS..  trans120.1167.1-173.800000112.7K183 E189K183-G187 WeakPolarHBondContact O-CA 3.3Å; K183-G187 PolarHBondContact O-N 3.31Å; K183-G187 VanDerWaalsContact O-N 3.09Å; G187-E189 VanDerWaalsContact C-N 3.34Å
188K87.4Confident75.1Confident145 Ų14567.8 Ų67.863%0.6337%0.369SS*.G310 helixtrans-79.9-19.5-177.8-59.1-172.5-176.4175.20112.3K183 E190 I191K183-K188 HydrophobicContact CG-CG 4.31Å; K188-E190 PolarHBondContact O-N 3.06Å; K188-I191 HydrophobicContact CB-CD1 4.4Å; K188-I191 WeakPolarHBondContact O-CB 3.22Å; K188-I191 PolarHBondContact O-N 2.95Å
189E86.4Confident72.6Confident70 Ų7073.5 Ų73.533%0.32740%0.396SS..G310 helixtrans-70.1-16.9-173.4-46.375.1-156.400112.3G187 K248 Y257G187-E189 VanDerWaalsContact C-N 3.34Å; E189-K248 HydrophobicContact CB-CB 4.46Å; E189-K248 WeakPolarHBondContact O-CB 3.42Å; E189-K248 VanDerWaalsContact O-CD 3.3Å; E189-K248 WeakPolarHBondContact O-CD 3.3Å; E189-Y257 HydrophobicContact CB-CE2 4.39Å; E189-Y257 HydrophobicContact CG-CE2 4.1Å; E189-Y257 WeakPolarHBondContact OE2-CE2 3.38Å; E189-Y257 PolarHBondContact OE2-OH 3.43Å
190E87.4Confident69.6Low1 Ų176.2 Ų76.21%0.00542%0.422CS..G310 helixtrans-93.3-5.6-178.8-66.4-65.3152.900113.3F168 R169 I186 K188 Y315 R323F168-E190 HydrophobicContact CE1-CB 4.3Å; R169-E190 WeakPolarHBondContact CG-O 3.5Å; R169-E190 IonicContact CZ-OE2 2.66Å; R169-E190 PolarHBondContact NE-O 3.14Å; R169-E190 IonicContact NE-OE2 3.7Å; R169-E190 IonicContact NH2-OE2 2.91Å; I186-E190 HydrophobicContact CG2-CB 3.86Å; I186-E190 HydrophobicContact CG2-CG 3.67Å; K188-E190 PolarHBondContact O-N 3.06Å; E190-Y315 HydrophobicContact CB-CE1 4.43Å; E190-Y315 HydrophobicContact CG-CE1 4.02Å; E190-R323 IonicContact OE1-CZ 3.46Å; E190-R323 IonicContact OE1-NH1 3.61Å; E190-R323 PolarHBondContact OE1-NH1 2.95Å; E190-R323 IonicContact OE1-NH2 3.32Å; E190-R323 PolarHBondContact OE1-NH2 2.89Å; E190-R323 IonicContact OE2-CZ 2.79Å; E190-R323 IonicContact OE2-NH1 3.38Å; E190-R323 IonicContact OE2-NH2 3.38Å; E190-R323 PolarHBondContact OE2-NH2 3.03Å
191I84.8Confident66.7Low16 Ų1680.1 Ų80.18%0.08244%0.442CS..SBendtrans-78.6148.4179.5-56.5173.9000110.2F168 F179 K183 K188 S195 K248F168-I191 HydrophobicContact CE1-CG1 4.22Å; F168-I191 HydrophobicContact CE2-CG1 4.37Å; F168-I191 HydrophobicContact CZ-CD1 4.22Å; F168-I191 HydrophobicContact CZ-CG1 3.71Å; F179-I191 HydrophobicContact CZ-CD1 4.01Å; F179-I191 HydrophobicContact CZ-CG2 4.48Å; K183-I191 HydrophobicContact CD-CD1 3.89Å; K183-I191 HydrophobicContact CG-CD1 3.96Å; K188-I191 HydrophobicContact CB-CD1 4.4Å; K188-I191 WeakPolarHBondContact O-CB 3.22Å; K188-I191 PolarHBondContact O-N 2.95Å; I191-S195 WeakPolarHBondContact CG2-OG 3.23Å; I191-K248 PolarHBondContact O-NZ 3.38Å
192P74.7Confident63.6Low24 Ų2481.9 Ų81.916%0.15646%0.463CS..  trans-58.3137.9170.9-27.237.4000113.2R169 N171 H194 S195R169-P192 WeakPolarHBondContact O-CG 3.38Å; N171-P192 WeakPolarHBondContact OD1-CB 3.29Å; P192-H194 PolarHBondContact O-N 3.27Å; P192-H194 VanDerWaalsContact O-N 3.14Å; P192-S195 PolarHBondContact O-N 3.45Å; P192-S195 PolarHBondContact O-OG 2.83Å
193T58.7Low60.5Low92 Ų9287.4 Ų87.456%0.56450%0.498SS*.G310 helixtrans-67.7-15.2-171.8-34.70000113.4S195 K248T193-S195 VanDerWaalsContact C-N 3.27Å; T193-S195 PolarHBondContact O-N 3.08Å; T193-K248 PolarHBondContact OG1-NZ 2.7Å
194H49.2Very low57.7Low169 Ų16989.8 Ų89.878%0.78252%0.521SS*.G310 helixtrans-78.3-0.9-178.7-68.1-78.3000115P192P192-H194 PolarHBondContact O-N 3.27Å; P192-H194 VanDerWaalsContact O-N 3.14Å
195S39.7Very low54.5Low67 Ų6789.7 Ų89.747%0.46954%0.54SS..G310 helixtrans-96.3-0.9-178.456.70000114.9I191 P192 T193I191-S195 WeakPolarHBondContact CG2-OG 3.23Å; P192-S195 PolarHBondContact O-N 3.45Å; P192-S195 PolarHBondContact O-OG 2.83Å; T193-S195 VanDerWaalsContact C-N 3.27Å; T193-S195 PolarHBondContact O-N 3.08Å
196N35.8Very low51.3Low116 Ų11692.4 Ų92.462%0.6257%0.569SS**  trans-98.110.3-170.9-76.6-17.3000115.6A198N196-A198 VanDerWaalsContact C-N 3.3Å; N196-A198 PolarHBondContact O-N 3.49Å
197M29.4Very low48.3Very low194 Ų19499.8 Ų99.896%0.95661%0.606SS**SBendtrans-82.61.4176.5-69.6-160.282.900114.8
198A33.9Very low45.4Very low81 Ų81108.9 Ų108.967%0.66965%0.647SS**SBendtrans-101.3-13.3-17400000116.3N196N196-A198 VanDerWaalsContact C-N 3.3Å; N196-A198 PolarHBondContact O-N 3.49Å
199D34.1Very low42.3Very low154 Ų154107.7 Ų107.782%0.82465%0.652SS**  trans-146.786-177.9-76.9-44.6000111.3
200S28Very low39.4Very low114 Ų114113.9 Ų113.980%0.79768%0.681SS**  trans-153.281.1165.1-67.50000110
201V29Very low36.3Very low154 Ų154121.7 Ų121.793%0.93372%0.717SS**  trans-127.3119.9161.31760000108.7
202G26.5Very low33.4Very low68 Ų68126.8 Ų126.870%0.70175%0.754SS**  trans83.7135.1165.100000115.7
203T25.9Very low30.9Very low138 Ų138133.6 Ų133.685%0.84778%0.784SS**  cis-167.6150.17-52.70000106.2
204P34.3Very low29.3Very low124 Ų124135.4 Ų135.481%0.80579%0.794SS**  trans-93.6138.5-17833.9-29.2000113
205A25.3Very low28.1Very low105 Ų105132.7 Ų132.787%0.86879%0.794SS**  trans-173.6146.9162.200000107.6
206A26.6Very low27.5Very low98 Ų98133.5 Ų133.581%0.8181%0.805SS**  cis-167.3149.2-16.100000103
207I28.8Very low27.2Very low157 Ų157136 Ų13681%0.80581%0.813SS**  trans-76.6130.3174.9-66.2161.2000107.4
208E26.5Very low27Very low199 Ų199135.5 Ų135.593%0.9381%0.805SS**  trans-147.1128.3153-112.7168.1-151.900110
209T23.2Very low26.7Very low120 Ų120135.2 Ų135.274%0.73680%0.803SS**  trans-112.8120.3-177.2-47.80000105.4
210E25Very low26.6Very low200 Ų200133.6 Ų133.694%0.93580%0.795SS**  trans-140.8141.3158.1-82.2-159.7155.500112.5
211H23.5Very low27.2Very low166 Ų166135.6 Ų135.677%0.76979%0.791SS**  trans-93.3141.4-168.8-138.9-89.9000108.9
212S22.2Very low27.8Very low123 Ų123137.7 Ų137.786%0.8679%0.788SS**  trans-167.9113.1149-85.20000111.6
213Q22.8Very low28.6Very low167 Ų167143.5 Ų143.578%0.7879%0.788SS**  trans-83.2154.1156.9-71.4176.4-26.800107.4
214V25.1Very low29.7Very low130 Ų130142 Ų14279%0.78877%0.77SS**  -169.9140.578.1161.80000111
215S24.7Very low30.9Very low111 Ų111140.8 Ų140.878%0.77676%0.761SS**  trans7.9156.2148.2-55.40000122.3
216A27.1Very low32.4Very low84 Ų84142.3 Ų142.369%0.69475%0.754SS**  -165.8137.151.400000112.4
217E29.1Very low34.3Very low168 Ų168142 Ų14279%0.78574%0.737SS**  82.2139.9103.5-84.5-166.6-178.800115.7
218K25.2Very low36Very low184 Ų184136.9 Ų136.980%0.872%0.719SS**  cis-148.9151.424.5-94141.4-175-178.70107.8
219A26.8Very low37.7Very low76 Ų76135.6 Ų135.663%0.62871%0.706SS**  -177.2168.281.400000111.8K224A219-K224 VanDerWaalsContact C-NZ 3.34Å; A219-K224 VanDerWaalsContact O-CE 3.22Å; A219-K224 WeakPolarHBondContact O-CE 3.42Å; A219-K224 PolarHBondContact O-NZ 2.69Å
220D34Very low39.7Very low120 Ų120133.5 Ų133.564%0.64269%0.694SS**  trans84.1105160.8-152.414.8000119.9K224D220-K224 WeakPolarHBondContact O-CD 3.48Å; D220-K224 WeakPolarHBondContact O-CE 3.32Å; D220-K224 WeakPolarHBondContact O-CG 3.27Å
221H40Very low41.8Very low156 Ų156131.9 Ų131.972%0.72268%0.679SS**SBendtrans-103.6-7.8-156.9-159.8-66.8000115.2
222K41.8Very low43.9Very low198 Ų198131.4 Ų131.486%0.86167%0.674SS**SBendtrans-97.6-25-179.8-87.7-179.6174.1178.60114.8K224K222-K224 VanDerWaalsContact C-N 3.35Å
223R43.2Very low46Very low190 Ų190130 Ų13072%0.71766%0.657SS**SBendtrans-81.8-14.8172.3-155.2177.7-178.1-176.40.6112.9I227R223-I227 HydrophobicContact CG-CD1 3.93Å; R223-I227 WeakPolarHBondContact O-CD1 3.27Å; R223-I227 WeakPolarHBondContact O-CG1 3.39Å
224K48.8Very low48.1Very low105 Ų105127 Ų12746%0.45765%0.646SS.*Hα-helixtrans-74.6-29.3-174-82.5178-173.8168.90114.4A219 D220 K222 A228A219-K224 VanDerWaalsContact C-NZ 3.34Å; A219-K224 VanDerWaalsContact O-CE 3.22Å; A219-K224 WeakPolarHBondContact O-CE 3.42Å; A219-K224 PolarHBondContact O-NZ 2.69Å; D220-K224 WeakPolarHBondContact O-CD 3.48Å; D220-K224 WeakPolarHBondContact O-CE 3.32Å; D220-K224 WeakPolarHBondContact O-CG 3.27Å; K222-K224 VanDerWaalsContact C-N 3.35Å; K224-A228 WeakPolarHBondContact O-CB 3.29Å; K224-A228 PolarHBondContact O-N 3.24Å
225T59.3Low50.2Low100 Ų100125 Ų12561%0.61363%0.628SS**Hα-helixtrans-71.9-43.9-172.8-30.30000112.2Y229T225-Y229 VanDerWaalsContact O-CB 3.29Å; T225-Y229 WeakPolarHBondContact O-CB 3.41Å; T225-Y229 PolarHBondContact O-N 2.9Å
226L56.9Low52.2Low137 Ų137122.7 Ų122.772%0.71761%0.612SS**Hα-helixtrans-70.3-39.1176.5-163.383.2000111.9T230L226-T230 WeakPolarHBondContact O-CB 3.47Å; L226-T230 VanDerWaalsContact O-CG2 3.26Å; L226-T230 WeakPolarHBondContact O-CG2 3.2Å; L226-T230 PolarHBondContact O-N 3.4Å; L226-T230 PolarHBondContact O-OG1 2.95Å
227I66Low54.2Low91 Ų91121.9 Ų121.947%0.46760%0.595SS.*Hα-helixtrans-69.3-39.7177.3-65.2174.9000110.8R223 T230 R231R223-I227 HydrophobicContact CG-CD1 3.93Å; R223-I227 WeakPolarHBondContact O-CD1 3.27Å; R223-I227 WeakPolarHBondContact O-CG1 3.39Å; I227-T230 WeakPolarHBondContact CA-OG1 3.22Å; I227-T230 PolarHBondContact O-OG1 3.38Å; I227-T230 VanDerWaalsContact O-OG1 3.05Å; I227-R231 WeakPolarHBondContact O-CB 3.29Å; I227-R231 PolarHBondContact O-N 3.37Å
228A65.5Low56Low50 Ų50115.2 Ų115.241%0.41357%0.567SS.*Hα-helixtrans-69.4-37.3177.300000111.9K224 K232K224-A228 WeakPolarHBondContact O-CB 3.29Å; K224-A228 PolarHBondContact O-N 3.24Å; A228-K232 WeakPolarHBondContact O-CB 3.34Å; A228-K232 WeakPolarHBondContact O-CG 3.45Å; A228-K232 PolarHBondContact O-N 2.97Å
229Y61.9Low58.1Low172 Ų172114 Ų11468%0.67556%0.561SS**Hα-helixtrans-70.4-45.3176.4-155.2-91.5000111.7T225 R231 K232 L233T225-Y229 VanDerWaalsContact O-CB 3.29Å; T225-Y229 WeakPolarHBondContact O-CB 3.41Å; T225-Y229 PolarHBondContact O-N 2.9Å; Y229-R231 VanDerWaalsContact C-N 3.32Å; Y229-R231 PolarHBondContact O-N 3.03Å; Y229-K232 PolarHBondContact O-N 2.95Å; Y229-L233 WeakPolarHBondContact O-CB 3.23Å; Y229-L233 PolarHBondContact O-N 2.69Å
230T64.3Low60.2Low76 Ų76117.7 Ų117.747%0.46657%0.565SS.*Hα-helixtrans-63.6-38.1174.150.20000111.6L226 I227 L233 L234L226-T230 WeakPolarHBondContact O-CB 3.47Å; L226-T230 VanDerWaalsContact O-CG2 3.26Å; L226-T230 WeakPolarHBondContact O-CG2 3.2Å; L226-T230 PolarHBondContact O-N 3.4Å; L226-T230 PolarHBondContact O-OG1 2.95Å; I227-T230 WeakPolarHBondContact CA-OG1 3.22Å; I227-T230 PolarHBondContact O-OG1 3.38Å; I227-T230 VanDerWaalsContact O-OG1 3.05Å; T230-L233 PolarHBondContact O-N 2.86Å; T230-L234 VanDerWaalsContact O-CB 3.23Å; T230-L234 WeakPolarHBondContact O-CB 3.18Å; T230-L234 PolarHBondContact O-N 3.3Å
231R70.5Confident62.2Low165 Ų165112.9 Ų112.962%0.62354%0.544SS*.Hα-helixtrans-63.7-47.3173.7-174.2-179.9-164.5164.310.4112.4I227 Y229 L233 L234 E235I227-R231 WeakPolarHBondContact O-CB 3.29Å; I227-R231 PolarHBondContact O-N 3.37Å; Y229-R231 VanDerWaalsContact C-N 3.32Å; Y229-R231 PolarHBondContact O-N 3.03Å; R231-L233 VanDerWaalsContact C-N 3.34Å; R231-L233 PolarHBondContact O-N 3.33Å; R231-L234 PolarHBondContact O-N 3.1Å; R231-E235 WeakPolarHBondContact CG-OE1 3.42Å; R231-E235 IonicContact NE-OE1 2.81Å; R231-E235 PolarHBondContact NE-OE1 3.31Å; R231-E235 WeakPolarHBondContact O-CB 3.26Å; R231-E235 VanDerWaalsContact O-CG 3.31Å; R231-E235 WeakPolarHBondContact O-CG 3.33Å; R231-E235 PolarHBondContact O-N 3.36Å
232K66.9Low64.3Low156 Ų156109 Ų10968%0.67853%0.532SS*.Hα-helixtrans-61.4-41.8175.7-84-173.2175.7-175.10112A228 Y229 S236A228-K232 WeakPolarHBondContact O-CB 3.34Å; A228-K232 WeakPolarHBondContact O-CG 3.45Å; A228-K232 PolarHBondContact O-N 2.97Å; Y229-K232 PolarHBondContact O-N 2.95Å; K232-S236 VanDerWaalsContact O-CB 3.28Å; K232-S236 WeakPolarHBondContact O-CB 3.48Å; K232-S236 PolarHBondContact O-N 3Å
233L66.4Low66.5Low95 Ų95104.6 Ų104.650%0.49751%0.51SS..Hα-helixtrans-65.2-44.8176.7-172.869.9000111.3Y229 T230 R231 S236 I237Y229-L233 WeakPolarHBondContact O-CB 3.23Å; Y229-L233 PolarHBondContact O-N 2.69Å; T230-L233 PolarHBondContact O-N 2.86Å; R231-L233 VanDerWaalsContact C-N 3.34Å; R231-L233 PolarHBondContact O-N 3.33Å; L233-S236 PolarHBondContact O-N 3.42Å; L233-I237 HydrophobicContact CD1-CD1 4.07Å; L233-I237 HydrophobicContact CD2-CD1 4.49Å; L233-I237 HydrophobicContact CG-CD1 3.83Å; L233-I237 WeakPolarHBondContact O-CB 3.37Å; L233-I237 VanDerWaalsContact O-CG1 3.24Å; L233-I237 WeakPolarHBondContact O-CG1 3.35Å; L233-I237 PolarHBondContact O-N 3.48Å
234L67.6Low68.6Low104 Ų10496.4 Ų96.455%0.54548%0.48SS..Hα-helixtrans-64.6-41.6178.1-154.1108.8000111.4T230 R231 C238T230-L234 VanDerWaalsContact O-CB 3.23Å; T230-L234 WeakPolarHBondContact O-CB 3.18Å; T230-L234 PolarHBondContact O-N 3.3Å; R231-L234 PolarHBondContact O-N 3.1Å; L234-C238 WeakPolarHBondContact O-CB 3.42Å; L234-C238 PolarHBondContact O-N 3.1Å; L234-C238 PolarHBondContact O-SG 2.92Å
235E68.9Low70.5Confident86 Ų86100.4 Ų100.440%0.40249%0.492SS..Hα-helixtrans-66-39.9175.5-76.5174.3-167.600111.8R231 K239R231-E235 WeakPolarHBondContact CG-OE1 3.42Å; R231-E235 IonicContact NE-OE1 2.81Å; R231-E235 PolarHBondContact NE-OE1 3.31Å; R231-E235 WeakPolarHBondContact O-CB 3.26Å; R231-E235 VanDerWaalsContact O-CG 3.31Å; R231-E235 WeakPolarHBondContact O-CG 3.33Å; R231-E235 PolarHBondContact O-N 3.36Å; E235-K239 VanDerWaalsContact O-CB 3.27Å; E235-K239 WeakPolarHBondContact O-CB 3.16Å; E235-K239 WeakPolarHBondContact O-CG 3.32Å; E235-K239 PolarHBondContact O-N 2.57Å
236S65.8Low71.8Confident64 Ų6497 Ų9745%0.44847%0.472SS..Hα-helixtrans-64.7-47.6176.5-171.20000111.8K232 L233 K239 H240K232-S236 VanDerWaalsContact O-CB 3.28Å; K232-S236 WeakPolarHBondContact O-CB 3.48Å; K232-S236 PolarHBondContact O-N 3Å; L233-S236 PolarHBondContact O-N 3.42Å; S236-K239 PolarHBondContact O-N 3.46Å; S236-H240 WeakPolarHBondContact O-CB 3.4Å; S236-H240 PolarHBondContact O-N 3.48Å
237I69.7Low73.2Confident66 Ų6690.5 Ų90.534%0.33844%0.438SS..Hα-helixtrans-69.3-40.8-179.5-66.5171.6000111.3L233 K239 G241 I255L233-I237 HydrophobicContact CD1-CD1 4.07Å; L233-I237 HydrophobicContact CD2-CD1 4.49Å; L233-I237 HydrophobicContact CG-CD1 3.83Å; L233-I237 WeakPolarHBondContact O-CB 3.37Å; L233-I237 VanDerWaalsContact O-CG1 3.24Å; L233-I237 WeakPolarHBondContact O-CG1 3.35Å; L233-I237 PolarHBondContact O-N 3.48Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.5Å; I237-G241 VanDerWaalsContact O-CA 3.27Å; I237-G241 WeakPolarHBondContact O-CA 3.48Å; I237-G241 PolarHBondContact O-N 2.88Å; I237-I255 HydrophobicContact CG2-CB 4.12Å; I237-I255 HydrophobicContact CG2-CD1 3.38Å; I237-I255 HydrophobicContact CG2-CG1 4.32Å; I237-I255 HydrophobicContact CG2-CG2 3.69Å
238C67.1Low74.2Confident28 Ų2888 Ų8819%0.18942%0.424CS..Hα-helixtrans-73.3-23178.9-73.90000113.2L234 N253L234-C238 WeakPolarHBondContact O-CB 3.42Å; L234-C238 PolarHBondContact O-N 3.1Å; L234-C238 PolarHBondContact O-SG 2.92Å; C238-N253 PolarHBondContact O-ND2 2.79Å
239K69.3Low75.2Confident159 Ų15985.9 Ų85.969%0.69141%0.406SS*.Hα-helixtrans-92.8-38.4176.6-72.3-178.6177.1-179.30113.7E235 S236 I237E235-K239 VanDerWaalsContact O-CB 3.27Å; E235-K239 WeakPolarHBondContact O-CB 3.16Å; E235-K239 WeakPolarHBondContact O-CG 3.32Å; E235-K239 PolarHBondContact O-N 2.57Å; S236-K239 PolarHBondContact O-N 3.46Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.5Å
240H71.1Confident76.2Confident154 Ų15486.2 Ų86.271%0.71341%0.407SS*.Hα-helixtrans-11211.8-174.1-57.892.1000114S236S236-H240 WeakPolarHBondContact O-CB 3.4Å; S236-H240 PolarHBondContact O-N 3.48Å
241G74.9Confident77.1Confident18 Ų1891.7 Ų91.719%0.18643%0.427CS..  trans-64.6157.9-179.600000113.4I237 N253I237-G241 VanDerWaalsContact O-CA 3.27Å; I237-G241 WeakPolarHBondContact O-CA 3.48Å; I237-G241 PolarHBondContact O-N 2.88Å; G241-N253 VanDerWaalsContact C-CB 3.48Å; G241-N253 PolarHBondContact N-ND2 3.27Å; G241-N253 WeakPolarHBondContact O-CB 3.41Å
242P83.9Confident77.8Confident74 Ų7485.5 Ų85.548%0.48141%0.407SS..  trans-77.4149.8-178.332.5-36.1000112.5C254 W324P242-C254 PolarHBondContact O-N 3.16Å; P242-W324 HydrophobicContact CB-CH2 3.77Å; P242-W324 HydrophobicContact CB-CZ2 3.78Å; P242-W324 HydrophobicContact CG-CH2 4.22Å; P242-W324 HydrophobicContact CG-CZ2 4.07Å
243R88.1Confident78.9Confident106 Ų10678.8 Ų78.840%0.438%0.378SS..  trans-122.4131.1171.7-174.1-174.474.795.8-1.2109.4C247R243-C247 HydrophobicContact CG-CB 4.36Å; R243-C247 PolarHBondContact NH1-O 3.42Å
244H88.7Confident80Confident18 Ų1874.9 Ų74.98%0.08336%0.358CS..  trans-78.5147.9172.9-162.2-106.9000111.9C246 C247 R323 W324 N327H244-C246 VanDerWaalsContact C-N 3.26Å; H244-C246 PolarHBondContact CE1-SG 3.44Å; H244-C246 PolarHBondContact ND1-N 3.35Å; H244-C246 PolarHBondContact O-N 3.5Å; H244-C247 HydrophobicContact CB-CB 4.44Å; H244-C247 WeakPolarHBondContact O-CB 3.31Å; H244-C247 PolarHBondContact O-N 3.18Å; H244-R323 PolarHBondContact CE1-O 3.48Å; H244-R323 PolarHBondContact ND1-O 3.05Å; H244-W324 HydrophobicContact CB-CD2 4.03Å; H244-W324 HydrophobicContact CB-CG 4.01Å; H244-W324 HydrophobicContact CB-CZ2 4.23Å; H244-W324 AromaticContact CD2-CD2 3.7Å; H244-W324 AromaticContact CD2-CE3 3.93Å; H244-W324 AromaticContact CD2-CG 3.88Å; H244-W324 AromaticContact CG-CG 4Å; H244-N327 PolarHBondContact CE1-OD1 2.98Å; H244-N327 PolarHBondContact NE2-OD1 3.04Å
245R86.9Confident81Confident190 Ų19073.2 Ų73.272%0.71735%0.349SS*.THydrogen-bonded Turntrans-58.1-36.7178.872.5-176.194-159.93.9113.1C247 N327R245-C247 VanDerWaalsContact C-N 3.26Å; R245-C247 PolarHBondContact O-N 3.05Å; R245-N327 PolarHBondContact NE-OD1 3.4Å
246C86.7Confident82Confident27 Ų2769.5 Ų69.518%0.18233%0.333CS..THydrogen-bonded Turntrans-80-4-179.8-50.80000113.5H244 R323 N327H244-C246 VanDerWaalsContact C-N 3.26Å; H244-C246 PolarHBondContact CE1-SG 3.44Å; H244-C246 PolarHBondContact ND1-N 3.35Å; H244-C246 PolarHBondContact O-N 3.5Å; C246-R323 HydrophobicContact CB-CB 4.18Å; C246-R323 HydrophobicContact CB-CG 4.38Å; C246-N327 PolarHBondContact SG-O 2.91Å
247C88.1Confident83.2Confident1 Ų166.9 Ų66.91%0.00731%0.313CS..  trans-84.9126.6177.4-75.60000111.3R243 H244 R245 H249R243-C247 HydrophobicContact CG-CB 4.36Å; R243-C247 PolarHBondContact NH1-O 3.42Å; H244-C247 HydrophobicContact CB-CB 4.44Å; H244-C247 WeakPolarHBondContact O-CB 3.31Å; H244-C247 PolarHBondContact O-N 3.18Å; R245-C247 VanDerWaalsContact C-N 3.26Å; R245-C247 PolarHBondContact O-N 3.05Å; C247-H249 VanDerWaalsContact C-N 3.3Å; C247-H249 VanDerWaalsContact CB-NE2 3.27Å; C247-H249 WeakPolarHBondContact CB-NE2 3.25Å; C247-H249 PolarHBondContact O-N 2.97Å
248K86.6Confident84.3Confident38 Ų3864.4 Ų64.417%0.16530%0.302CS..  trans-80.9-1.5-175.2-62.6178.6179.1170.30114.9E189 I191 T193 Y250 D329E189-K248 HydrophobicContact CB-CB 4.46Å; E189-K248 WeakPolarHBondContact O-CB 3.42Å; E189-K248 VanDerWaalsContact O-CD 3.3Å; E189-K248 WeakPolarHBondContact O-CD 3.3Å; I191-K248 PolarHBondContact O-NZ 3.38Å; T193-K248 PolarHBondContact OG1-NZ 2.7Å; K248-Y250 WeakPolarHBondContact O-CD2 3.39Å; K248-Y250 WeakPolarHBondContact O-CE2 3.32Å; K248-Y250 PolarHBondContact O-N 3.43Å; K248-Y250 VanDerWaalsContact O-N 3.12Å; K248-D329 WeakPolarHBondContact CE-OD2 3.22Å; K248-D329 IonicContact NZ-OD2 3.42Å; K248-D329 PolarHBondContact NZ-OD2 2.92Å
249H86.6Confident85.6Confident7 Ų765.4 Ų65.43%0.03231%0.307CS..  trans-85.872179.452.771.7000111.1C247 Q251 D252 C254 Y257 C320C247-H249 VanDerWaalsContact C-N 3.3Å; C247-H249 VanDerWaalsContact CB-NE2 3.27Å; C247-H249 WeakPolarHBondContact CB-NE2 3.25Å; C247-H249 PolarHBondContact O-N 2.97Å; H249-Q251 VanDerWaalsContact C-N 3.27Å; H249-Q251 PolarHBondContact O-N 3.5Å; H249-D252 HydrophobicContact CB-CB 4.49Å; H249-D252 PolarHBondContact CE1-O 2.88Å; H249-D252 PolarHBondContact ND1-O 3.34Å; H249-D252 PolarHBondContact O-N 3.46Å; H249-D252 VanDerWaalsContact O-N 3.17Å; H249-C254 PolarHBondContact CE1-SG 3.32Å; H249-C254 PolarHBondContact NE2-SG 3.26Å; H249-C254 VanDerWaalsContact NE2-SG 3.43Å; H249-Y257 HydrophobicContact CB-CD1 4.47Å; H249-Y257 HydrophobicContact CB-CD2 3.81Å; H249-Y257 HydrophobicContact CB-CE2 4.11Å; H249-Y257 HydrophobicContact CB-CG 4.03Å; H249-Y257 AromaticContact CD2-CD1 3.43Å; H249-Y257 VanDerWaalsContact CD2-CD1 3.43Å; H249-Y257 WeakPolarHBondContact CD2-CD1 3.36Å; H249-Y257 AromaticContact CD2-CE1 3.91Å; H249-Y257 AromaticContact CD2-CG 3.67Å; H249-Y257 AromaticContact CG-CG 3.88Å; H249-C320 PolarHBondContact NE2-SG 2.93Å
250Y83.3Confident86.6Confident178 Ų17863.3 Ų63.370%0.69830%0.298SS*.THydrogen-bonded Turntrans-61.2-29.5-170.9-59.4-74.8000115.1K248K248-Y250 WeakPolarHBondContact O-CD2 3.39Å; K248-Y250 WeakPolarHBondContact O-CE2 3.32Å; K248-Y250 PolarHBondContact O-N 3.43Å; K248-Y250 VanDerWaalsContact O-N 3.12Å
251Q81.9Confident87.6Confident191 Ų19156.3 Ų56.389%0.89327%0.267SS*.THydrogen-bonded Turntrans-87.4-6.4-177.9-64.5178.8-12.100113.6H249H249-Q251 VanDerWaalsContact C-N 3.27Å; H249-Q251 PolarHBondContact O-N 3.5Å
252D84.9Confident88.6Confident36 Ų3658.6 Ų58.619%0.19327%0.272CS..SBendtrans-133.3146.3-172-84.3-52.1000111.5H249 S256 K260H249-D252 HydrophobicContact CB-CB 4.49Å; H249-D252 PolarHBondContact CE1-O 2.88Å; H249-D252 PolarHBondContact ND1-O 3.34Å; H249-D252 PolarHBondContact O-N 3.46Å; H249-D252 VanDerWaalsContact O-N 3.17Å; D252-S256 PolarHBondContact OD1-OG 3.15Å; D252-K260 WeakPolarHBondContact OD1-CE 3.2Å; D252-K260 IonicContact OD1-NZ 3.68Å; D252-K260 PolarHBondContact OD1-NZ 3.38Å; D252-K260 IonicContact OD2-NZ 2.77Å; D252-K260 PolarHBondContact OD2-NZ 2.79Å
253N89.7Confident89.2Confident15 Ų1558.8 Ų58.88%0.0827%0.271CS..  trans-76.4163.5162.260.652.8000111.1C238 G241 I255 S256 Y257C238-N253 PolarHBondContact O-ND2 2.79Å; G241-N253 VanDerWaalsContact C-CB 3.48Å; G241-N253 PolarHBondContact N-ND2 3.27Å; G241-N253 WeakPolarHBondContact O-CB 3.41Å; N253-I255 PolarHBondContact O-N 3.28Å; N253-I255 PolarHBondContact OD1-N 3.16Å; N253-S256 PolarHBondContact O-N 2.74Å; N253-S256 WeakPolarHBondContact OD1-CB 3.31Å; N253-S256 PolarHBondContact OD1-N 3.32Å; N253-Y257 WeakPolarHBondContact O-CB 3.33Å; N253-Y257 PolarHBondContact O-N 3.34Å
254C89.5Confident89.5Confident12 Ų1259.9 Ų59.98%0.08128%0.275CS..Hα-helixtrans-59.9-34.6-173.4-67.80000112.6P242 H249 C258 C320P242-C254 PolarHBondContact O-N 3.16Å; H249-C254 PolarHBondContact CE1-SG 3.32Å; H249-C254 PolarHBondContact NE2-SG 3.26Å; H249-C254 VanDerWaalsContact NE2-SG 3.43Å; C254-C258 PolarHBondContact O-N 2.93Å; C254-C258 PolarHBondContact O-SG 3.38Å; C254-C320 HydrophobicContact CB-CB 4.24Å
255I89.8Confident89.8Confident70 Ų7059.1 Ų59.136%0.35927%0.272SS..Hα-helixtrans-74.8-48-177.9-58.9170.8000110.4I237 N253 Y257 C258 V259I237-I255 HydrophobicContact CG2-CB 4.12Å; I237-I255 HydrophobicContact CG2-CD1 3.38Å; I237-I255 HydrophobicContact CG2-CG1 4.32Å; I237-I255 HydrophobicContact CG2-CG2 3.69Å; N253-I255 PolarHBondContact O-N 3.28Å; N253-I255 PolarHBondContact OD1-N 3.16Å; I255-Y257 PolarHBondContact O-N 3.18Å; I255-C258 PolarHBondContact O-N 3.28Å; I255-C258 VanDerWaalsContact O-N 3.11Å; I255-V259 HydrophobicContact CG2-CG2 4.26Å; I255-V259 WeakPolarHBondContact O-CG2 3.09Å; I255-V259 PolarHBondContact O-N 2.75Å
256S89.4Confident90.2Very high7 Ų752.4 Ų52.45%0.04925%0.248CC..Hα-helixtrans-54.3-43.4172177.50000110.8D252 N253 C258 V259 K260D252-S256 PolarHBondContact OD1-OG 3.15Å; N253-S256 PolarHBondContact O-N 2.74Å; N253-S256 WeakPolarHBondContact OD1-CB 3.31Å; N253-S256 PolarHBondContact OD1-N 3.32Å; S256-C258 VanDerWaalsContact C-N 3.33Å; S256-C258 PolarHBondContact O-N 3.35Å; S256-V259 PolarHBondContact O-N 3.06Å; S256-K260 VanDerWaalsContact O-CB 3.24Å; S256-K260 WeakPolarHBondContact O-CB 3.46Å; S256-K260 VanDerWaalsContact O-CG 3.29Å; S256-K260 WeakPolarHBondContact O-CG 3.21Å; S256-K260 PolarHBondContact O-N 3.35Å; S256-K260 VanDerWaalsContact OG-CE 3.3Å; S256-K260 WeakPolarHBondContact OG-CE 3.22Å
257Y91.3Very high90.5Very high9 Ų954 Ų544%0.03526%0.26CS..Hα-helixtrans-59.3-41.4177.7-174.7-121.4000112.7E189 H249 N253 I255 G261 K316E189-Y257 HydrophobicContact CB-CE2 4.39Å; E189-Y257 HydrophobicContact CG-CE2 4.1Å; E189-Y257 WeakPolarHBondContact OE2-CE2 3.38Å; E189-Y257 PolarHBondContact OE2-OH 3.43Å; H249-Y257 HydrophobicContact CB-CD1 4.47Å; H249-Y257 HydrophobicContact CB-CD2 3.81Å; H249-Y257 HydrophobicContact CB-CE2 4.11Å; H249-Y257 HydrophobicContact CB-CG 4.03Å; H249-Y257 AromaticContact CD2-CD1 3.43Å; H249-Y257 VanDerWaalsContact CD2-CD1 3.43Å; H249-Y257 WeakPolarHBondContact CD2-CD1 3.36Å; H249-Y257 AromaticContact CD2-CE1 3.91Å; H249-Y257 AromaticContact CD2-CG 3.67Å; H249-Y257 AromaticContact CG-CG 3.88Å; N253-Y257 WeakPolarHBondContact O-CB 3.33Å; N253-Y257 PolarHBondContact O-N 3.34Å; I255-Y257 PolarHBondContact O-N 3.18Å; Y257-G261 PolarHBondContact O-N 2.86Å; Y257-K316 HydrophobicContact CD1-CB 3.96Å; Y257-K316 HydrophobicContact CD1-CD 3.75Å; Y257-K316 HydrophobicContact CD1-CG 4.05Å; Y257-K316 HydrophobicContact CD2-CD 4.5Å; Y257-K316 HydrophobicContact CE1-CB 3.85Å; Y257-K316 HydrophobicContact CE1-CD 3.38Å; Y257-K316 HydrophobicContact CE1-CG 3.49Å; Y257-K316 VanDerWaalsContact CE1-CG 3.49Å; Y257-K316 HydrophobicContact CE2-CD 4.18Å; Y257-K316 VanDerWaalsContact CE2-NZ 3.27Å; Y257-K316 HydrophobicContact CG-CD 4.29Å; Y257-K316 VanDerWaalsContact CZ-NZ 3.29Å; Y257-K316 VanDerWaalsContact OH-CE 3.28Å; Y257-K316 WeakPolarHBondContact OH-CE 3.26Å; Y257-K316 PolarHBondContact OH-NZ 2.94Å
258C93.4Very high90.8Very high15 Ų1556.2 Ų56.210%0.10127%0.271CS..Hα-helixtrans-69.7-48.9176.2-63.30000111.9C254 I255 S256 G261 F262 G317C254-C258 PolarHBondContact O-N 2.93Å; C254-C258 PolarHBondContact O-SG 3.38Å; I255-C258 PolarHBondContact O-N 3.28Å; I255-C258 VanDerWaalsContact O-N 3.11Å; S256-C258 VanDerWaalsContact C-N 3.33Å; S256-C258 PolarHBondContact O-N 3.35Å; C258-G261 PolarHBondContact O-N 3.36Å; C258-F262 PolarHBondContact O-N 2.82Å; C258-G317 WeakPolarHBondContact SG-CA 3.32Å; C258-G317 PolarHBondContact SG-N 3.08Å; C258-G317 VanDerWaalsContact SG-N 3.36Å
259V92.7Very high91Very high48 Ų4854.4 Ų54.429%0.29126%0.263SS..Hα-helixtrans-65.2-45-177.3174.30000111.4I255 S256 G261 F262 V263I255-V259 HydrophobicContact CG2-CG2 4.26Å; I255-V259 WeakPolarHBondContact O-CG2 3.09Å; I255-V259 PolarHBondContact O-N 2.75Å; S256-V259 PolarHBondContact O-N 3.06Å; V259-G261 VanDerWaalsContact C-N 3.3Å; V259-G261 PolarHBondContact O-N 3.47Å; V259-F262 WeakPolarHBondContact O-CB 3.3Å; V259-F262 PolarHBondContact O-N 3.25Å; V259-V263 HydrophobicContact CG1-CG2 4.35Å; V259-V263 WeakPolarHBondContact O-CG2 3.24Å; V259-V263 PolarHBondContact O-N 2.9Å
260K91.6Very high91.2Very high116 Ų11656.7 Ų56.750%0.50427%0.272SS..Hα-helixtrans-59.7-42.5174.5-74.2178.8176.31800111.2D252 S256 R264D252-K260 WeakPolarHBondContact OD1-CE 3.2Å; D252-K260 IonicContact OD1-NZ 3.68Å; D252-K260 PolarHBondContact OD1-NZ 3.38Å; D252-K260 IonicContact OD2-NZ 2.77Å; D252-K260 PolarHBondContact OD2-NZ 2.79Å; S256-K260 VanDerWaalsContact O-CB 3.24Å; S256-K260 WeakPolarHBondContact O-CB 3.46Å; S256-K260 VanDerWaalsContact O-CG 3.29Å; S256-K260 WeakPolarHBondContact O-CG 3.21Å; S256-K260 PolarHBondContact O-N 3.35Å; S256-K260 VanDerWaalsContact OG-CE 3.3Å; S256-K260 WeakPolarHBondContact OG-CE 3.22Å; K260-R264 VanDerWaalsContact O-CB 3.29Å; K260-R264 WeakPolarHBondContact O-CB 3.33Å; K260-R264 PolarHBondContact O-N 3.07Å
261G92.3Very high91.4Very high6 Ų653.5 Ų53.56%0.06227%0.266CS..Hα-helixtrans-59.3-47.8174.400000112.5Y257 C258 V259 M265Y257-G261 PolarHBondContact O-N 2.86Å; C258-G261 PolarHBondContact O-N 3.36Å; V259-G261 VanDerWaalsContact C-N 3.3Å; V259-G261 PolarHBondContact O-N 3.47Å; G261-M265 PolarHBondContact O-N 3.22Å; G261-M265 VanDerWaalsContact O-N 3.14Å
262F96.2Very high91.7Very high67 Ų6748 Ų4829%0.29424%0.242SC..Hα-helixtrans-56.6-57.7176.1-178.4-89.8000111.4C258 V259 R264 M265 F266 G309C258-F262 PolarHBondContact O-N 2.82Å; V259-F262 WeakPolarHBondContact O-CB 3.3Å; V259-F262 PolarHBondContact O-N 3.25Å; F262-R264 VanDerWaalsContact C-N 3.33Å; F262-R264 PolarHBondContact O-N 3.36Å; F262-M265 PolarHBondContact O-N 3.04Å; F262-F266 HydrophobicContact CD1-CB 4.41Å; F262-F266 HydrophobicContact CE1-CB 4.2Å; F262-F266 HydrophobicContact CE1-CD2 4.09Å; F262-F266 HydrophobicContact CE1-CG 4.23Å; F262-F266 AromaticContact CZ-CD2 3.89Å; F262-F266 HydrophobicContact CZ-CD2 3.89Å; F262-F266 HydrophobicContact CZ-CG 4.46Å; F262-F266 WeakPolarHBondContact O-CB 3.16Å; F262-F266 PolarHBondContact O-N 3.27Å; F262-G309 VanDerWaalsContact CD2-O 3.31Å; F262-G309 WeakPolarHBondContact CD2-O 3.47Å
263V95.1Very high91.7Very high78 Ų7847 Ų4747%0.47324%0.237SC..Hα-helixtrans-60.9-43.3-173.6172.90000111.1V259 S267V259-V263 HydrophobicContact CG1-CG2 4.35Å; V259-V263 WeakPolarHBondContact O-CG2 3.24Å; V259-V263 PolarHBondContact O-N 2.9Å; V263-S267 VanDerWaalsContact O-CB 3.31Å; V263-S267 WeakPolarHBondContact O-CB 3.46Å; V263-S267 PolarHBondContact O-N 3.29Å; V263-S267 PolarHBondContact O-OG 3Å
264R94.6Very high91.3Very high128 Ų12846.9 Ų46.948%0.48324%0.237SC..Hα-helixtrans-60.3-53.5178.4175.3178.8163.7176.2-6.5111.4F184 K260 F262 S267 I268F184-R264 PolarHBondContact O-NH2 3.19Å; K260-R264 VanDerWaalsContact O-CB 3.29Å; K260-R264 WeakPolarHBondContact O-CB 3.33Å; K260-R264 PolarHBondContact O-N 3.07Å; F262-R264 VanDerWaalsContact C-N 3.33Å; F262-R264 PolarHBondContact O-N 3.36Å; R264-S267 PolarHBondContact O-N 2.67Å; R264-I268 HydrophobicContact CG-CD1 4.03Å; R264-I268 WeakPolarHBondContact O-CG1 3.43Å; R264-I268 PolarHBondContact O-N 3.32Å; R264-I268 VanDerWaalsContact O-N 3.1Å
265M95.1Very high90.9Very high3 Ų349.8 Ų49.82%0.01526%0.256CS..Hα-helixtrans-76.9-29.5-173.3-64.6-56-65.600112.5F184 I185 G261 F262 I268 G269 L308 V312F184-M265 HydrophobicContact CE1-CE 4.46Å; I185-M265 HydrophobicContact CB-CE 3.82Å; I185-M265 HydrophobicContact CG1-CE 3.55Å; I185-M265 HydrophobicContact CG2-CE 3.92Å; G261-M265 PolarHBondContact O-N 3.22Å; G261-M265 VanDerWaalsContact O-N 3.14Å; F262-M265 PolarHBondContact O-N 3.04Å; M265-I268 HydrophobicContact SD-CD1 3.73Å; M265-G269 PolarHBondContact O-N 2.81Å; M265-L308 HydrophobicContact CB-CB 4.26Å; M265-V312 HydrophobicContact CB-CG2 3.99Å; M265-V312 HydrophobicContact CG-CB 4.32Å; M265-V312 HydrophobicContact CG-CG1 4.4Å; M265-V312 HydrophobicContact CG-CG2 3.67Å
266F95.8Very high90.3Very high48 Ų4852.4 Ų52.421%0.21127%0.27CS..Hα-helixtrans-60.2-49.1168.1-178.2-82.8000111.4F262 I268 G269 Y270 F302 G305 A306F262-F266 HydrophobicContact CD1-CB 4.41Å; F262-F266 HydrophobicContact CE1-CB 4.2Å; F262-F266 HydrophobicContact CE1-CD2 4.09Å; F262-F266 HydrophobicContact CE1-CG 4.23Å; F262-F266 AromaticContact CZ-CD2 3.89Å; F262-F266 HydrophobicContact CZ-CD2 3.89Å; F262-F266 HydrophobicContact CZ-CG 4.46Å; F262-F266 WeakPolarHBondContact O-CB 3.16Å; F262-F266 PolarHBondContact O-N 3.27Å; F266-I268 VanDerWaalsContact C-N 3.34Å; F266-I268 PolarHBondContact O-N 3.42Å; F266-G269 PolarHBondContact O-N 3.24Å; F266-Y270 WeakPolarHBondContact O-CB 3.26Å; F266-Y270 PolarHBondContact O-N 3.4Å; F266-F302 AromaticContact CZ-CD1 3.85Å; F266-F302 HydrophobicContact CZ-CD1 3.85Å; F266-F302 HydrophobicContact CZ-CE1 4.41Å; F266-G305 WeakPolarHBondContact CA-O 3.47Å; F266-G305 VanDerWaalsContact CD2-O 3.28Å; F266-G305 WeakPolarHBondContact CD2-O 3.48Å; F266-G305 WeakPolarHBondContact O-CA 3.37Å; F266-A306 HydrophobicContact CE2-CB 4.26Å
267S93.6Very high89.5Confident62 Ų6253.9 Ų53.943%0.43428%0.276SS..Hα-helixtrans-61.8-42.4-179.8-58.40000111.8V263 R264 Y270 L271V263-S267 VanDerWaalsContact O-CB 3.31Å; V263-S267 WeakPolarHBondContact O-CB 3.46Å; V263-S267 PolarHBondContact O-N 3.29Å; V263-S267 PolarHBondContact O-OG 3Å; R264-S267 PolarHBondContact O-N 2.67Å; S267-Y270 PolarHBondContact O-N 3.4Å; S267-L271 WeakPolarHBondContact O-CB 3.28Å; S267-L271 PolarHBondContact O-N 3.31Å
268I92.9Very high88.6Confident46 Ų4656.6 Ų56.624%0.23629%0.293CS..Hα-helixtrans-62.3-47.8175.2-69163.1000110.8F184 R264 M265 F266 Y270 L271 I272F184-I268 HydrophobicContact CE1-CD1 4.04Å; F184-I268 HydrophobicContact CZ-CD1 3.78Å; R264-I268 HydrophobicContact CG-CD1 4.03Å; R264-I268 WeakPolarHBondContact O-CG1 3.43Å; R264-I268 PolarHBondContact O-N 3.32Å; R264-I268 VanDerWaalsContact O-N 3.1Å; M265-I268 HydrophobicContact SD-CD1 3.73Å; F266-I268 VanDerWaalsContact C-N 3.34Å; F266-I268 PolarHBondContact O-N 3.42Å; I268-Y270 VanDerWaalsContact C-N 3.35Å; I268-Y270 PolarHBondContact O-N 3.45Å; I268-L271 PolarHBondContact O-N 2.62Å; I268-I272 HydrophobicContact CG2-CD1 3.83Å; I268-I272 HydrophobicContact CG2-CG1 4.45Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.24Å; I268-I272 PolarHBondContact O-N 3.09Å
269G91.7Very high87.3Confident0 Ų060.4 Ų60.40%032%0.317CS..Hα-helixtrans-60.4-43.7178.400000112.7M265 F266 I272 Q273M265-G269 PolarHBondContact O-N 2.81Å; F266-G269 PolarHBondContact O-N 3.24Å; G269-I272 PolarHBondContact O-N 3.48Å; G269-Q273 PolarHBondContact O-N 2.92Å; G269-Q273 VanDerWaalsContact O-N 3.1Å
270Y90.4Very high85.8Confident56 Ų5661.3 Ų61.322%0.2233%0.326CS..Hα-helixtrans-61-45.2175.7-176.1-95.9000111.8F266 S267 I268 Q273 C274 F296 N301 F302F266-Y270 WeakPolarHBondContact O-CB 3.26Å; F266-Y270 PolarHBondContact O-N 3.4Å; S267-Y270 PolarHBondContact O-N 3.4Å; I268-Y270 VanDerWaalsContact C-N 3.35Å; I268-Y270 PolarHBondContact O-N 3.45Å; Y270-Q273 PolarHBondContact O-N 2.98Å; Y270-C274 VanDerWaalsContact CE1-SG 3.54Å; Y270-C274 PolarHBondContact O-N 2.91Å; Y270-C274 PolarHBondContact O-SG 3.12Å; Y270-F296 PolarHBondContact OH-O 3.35Å; Y270-F296 VanDerWaalsContact OH-O 3.07Å; Y270-N301 HydrophobicContact CD2-CB 4.31Å; Y270-N301 WeakPolarHBondContact CD2-O 3.42Å; Y270-N301 HydrophobicContact CE2-CB 3.99Å; Y270-F302 HydrophobicContact CE2-CD1 4.44Å; Y270-F302 HydrophobicContact CE2-CD2 4.11Å; Y270-F302 HydrophobicContact CE2-CE1 4.15Å; Y270-F302 AromaticContact CE2-CE2 3.82Å; Y270-F302 HydrophobicContact CE2-CE2 3.82Å; Y270-F302 HydrophobicContact CE2-CG 4.4Å; Y270-F302 AromaticContact CE2-CZ 3.83Å; Y270-F302 HydrophobicContact CE2-CZ 3.83Å
271L88.4Confident84.3Confident110 Ų11056 Ų5658%0.57630%0.304SS*.Hα-helixtrans-62.8-45.1178.5-175.866000111.9S267 I268 Q273 C274 C275S267-L271 WeakPolarHBondContact O-CB 3.28Å; S267-L271 PolarHBondContact O-N 3.31Å; I268-L271 PolarHBondContact O-N 2.62Å; L271-Q273 VanDerWaalsContact C-N 3.27Å; L271-Q273 PolarHBondContact O-N 3.42Å; L271-C274 WeakPolarHBondContact O-CB 3.47Å; L271-C274 PolarHBondContact O-N 2.88Å; L271-C275 PolarHBondContact O-N 2.95Å; L271-C275 PolarHBondContact O-SG 3.05Å
272I87.6Confident83Confident77 Ų7761.4 Ų61.440%0.39533%0.326SS..Hα-helixtrans-56.5-45.8176.3-70.9167.9000110.1I268 G269 C275 L276 L304I268-I272 HydrophobicContact CG2-CD1 3.83Å; I268-I272 HydrophobicContact CG2-CG1 4.45Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.24Å; I268-I272 PolarHBondContact O-N 3.09Å; G269-I272 PolarHBondContact O-N 3.48Å; I272-C275 WeakPolarHBondContact O-CB 3.46Å; I272-C275 PolarHBondContact O-N 2.86Å; I272-L276 HydrophobicContact CG2-CD1 4.1Å; I272-L276 HydrophobicContact CG2-CG 4.46Å; I272-L276 WeakPolarHBondContact O-CG 3.45Å; I272-L276 PolarHBondContact O-N 2.87Å; I272-L304 HydrophobicContact CB-CD2 4.13Å; I272-L304 HydrophobicContact CG2-CD2 3.84Å
273Q85.1Confident81.5Confident15 Ų1568 Ų687%0.0735%0.349CS..Hα-helixtrans-71-34.4-176.6-158.2158.18.800112.7G269 Y270 L271 K277 E300 N301 L304G269-Q273 PolarHBondContact O-N 2.92Å; G269-Q273 VanDerWaalsContact O-N 3.1Å; Y270-Q273 PolarHBondContact O-N 2.98Å; L271-Q273 VanDerWaalsContact C-N 3.27Å; L271-Q273 PolarHBondContact O-N 3.42Å; Q273-K277 PolarHBondContact O-N 2.71Å; Q273-E300 PolarHBondContact NE2-O 2.96Å; Q273-E300 PolarHBondContact OE1-O 3.38Å; Q273-N301 HydrophobicContact CG-CB 4.48Å; Q273-N301 PolarHBondContact OE1-O 3.15Å; Q273-L304 HydrophobicContact CB-CB 4.47Å; Q273-L304 HydrophobicContact CB-CD2 4.39Å
274C81.8Confident79.8Confident12 Ų1268.9 Ų68.98%0.08135%0.348CS..Hα-helixtrans-59.7-50.2169-680000110.7Y270 L271 L276 K277 V278 F296Y270-C274 VanDerWaalsContact CE1-SG 3.54Å; Y270-C274 PolarHBondContact O-N 2.91Å; Y270-C274 PolarHBondContact O-SG 3.12Å; L271-C274 WeakPolarHBondContact O-CB 3.47Å; L271-C274 PolarHBondContact O-N 2.88Å; C274-L276 VanDerWaalsContact C-N 3.35Å; C274-L276 PolarHBondContact O-N 3.41Å; C274-K277 PolarHBondContact O-N 3.28Å; C274-K277 VanDerWaalsContact O-N 3.1Å; C274-V278 WeakPolarHBondContact O-CG2 3.25Å; C274-V278 PolarHBondContact O-N 3.21Å; C274-F296 HydrophobicContact CB-CD1 4.23Å; C274-F296 HydrophobicContact CB-CE1 4.35Å
275C79.8Confident78.2Confident73 Ų7366.6 Ų66.649%0.49334%0.343SS..Hα-helixtrans-58.3-41.3179.2-72.10000113.1L271 I272 K277 V278L271-C275 PolarHBondContact O-N 2.95Å; L271-C275 PolarHBondContact O-SG 3.05Å; I272-C275 WeakPolarHBondContact O-CB 3.46Å; I272-C275 PolarHBondContact O-N 2.86Å; C275-K277 PolarHBondContact O-N 2.75Å; C275-V278 WeakPolarHBondContact O-CB 3.06Å; C275-V278 PolarHBondContact O-N 3.32Å
276L77.6Confident76.9Confident125 Ų12574 Ų7465%0.65438%0.376SS*.Hα-helixtrans-64.9-25.2178.6-71.4174.5000113.3I272 C274I272-L276 HydrophobicContact CG2-CD1 4.1Å; I272-L276 HydrophobicContact CG2-CG 4.46Å; I272-L276 WeakPolarHBondContact O-CG 3.45Å; I272-L276 PolarHBondContact O-N 2.87Å; C274-L276 VanDerWaalsContact C-N 3.35Å; C274-L276 PolarHBondContact O-N 3.41Å
277K73.6Confident75.6Confident38 Ų3875.7 Ų75.717%0.16539%0.394CS..Hα-helixtrans-93.3-7176.8-70.7-172.6177.91750113.9Q273 C274 C275 P279 S280 A281 E300 N301Q273-K277 PolarHBondContact O-N 2.71Å; C274-K277 PolarHBondContact O-N 3.28Å; C274-K277 VanDerWaalsContact O-N 3.1Å; C275-K277 PolarHBondContact O-N 2.75Å; K277-P279 VanDerWaalsContact C-CD 3.5Å; K277-S280 PolarHBondContact O-N 3.09Å; K277-S280 PolarHBondContact O-OG 3.38Å; K277-A281 VanDerWaalsContact O-CB 3.25Å; K277-A281 WeakPolarHBondContact O-CB 3.44Å; K277-A281 PolarHBondContact O-N 2.79Å; K277-E300 WeakPolarHBondContact CE-OE2 3.28Å; K277-E300 IonicContact NZ-OE2 2.68Å; K277-E300 PolarHBondContact NZ-OE2 2.74Å; K277-N301 WeakPolarHBondContact CD-OD1 3.35Å; K277-N301 WeakPolarHBondContact CE-OD1 3.48Å; K277-N301 PolarHBondContact NZ-OD1 2.94Å
278V71.1Confident74.4Confident65 Ų6578.6 Ų78.639%0.39440%0.398SS..Hα-helixtrans-56.3-42.9176.8173.70000112.5C274 C275 S280 A281 F282C274-V278 WeakPolarHBondContact O-CG2 3.25Å; C274-V278 PolarHBondContact O-N 3.21Å; C275-V278 WeakPolarHBondContact O-CB 3.06Å; C275-V278 PolarHBondContact O-N 3.32Å; V278-S280 VanDerWaalsContact C-N 3.35Å; V278-S280 PolarHBondContact O-N 3.03Å; V278-A281 PolarHBondContact O-N 3.24Å; V278-F282 VanDerWaalsContact O-CB 3.24Å; V278-F282 WeakPolarHBondContact O-CB 3.47Å; V278-F282 PolarHBondContact O-N 3.04Å
279P66.8Low73.2Confident95 Ų9580.5 Ų80.562%0.61741%0.414SS*.Hα-helixtrans-63.6-37.1-178.7-24.135000113.9K277K277-P279 VanDerWaalsContact C-CD 3.5Å
280S61.2Low72.1Confident67 Ų6785.5 Ų85.547%0.46945%0.449SS..Hα-helixtrans-76.1-37.1175.4510000111.8K277 V278 Q284K277-S280 PolarHBondContact O-N 3.09Å; K277-S280 PolarHBondContact O-OG 3.38Å; V278-S280 VanDerWaalsContact C-N 3.35Å; V278-S280 PolarHBondContact O-N 3.03Å; S280-Q284 PolarHBondContact O-N 3.31Å
281A60.2Low71Confident5 Ų590 Ų904%0.04147%0.466CS..Hα-helixtrans-66.7-36.8175.300000112.6K277 V278 R283 Q284 M285 V295K277-A281 VanDerWaalsContact O-CB 3.25Å; K277-A281 WeakPolarHBondContact O-CB 3.44Å; K277-A281 PolarHBondContact O-N 2.79Å; V278-A281 PolarHBondContact O-N 3.24Å; A281-R283 PolarHBondContact O-N 3.37Å; A281-Q284 CarbonylContact O-C 3.5Å; A281-Q284 WeakPolarHBondContact O-CA 3.42Å; A281-Q284 PolarHBondContact O-N 3.32Å; A281-M285 WeakPolarHBondContact O-CB 3.18Å; A281-M285 PolarHBondContact O-N 2.87Å; A281-V295 HydrophobicContact CB-CG1 3.94Å
282F64.8Low69.9Low119 Ų11986.6 Ų86.652%0.52245%0.448SS..Hα-helixtrans-62.4-42.4179-174.5-100.5000111.2V278 Q284 M285 F286V278-F282 VanDerWaalsContact O-CB 3.24Å; V278-F282 WeakPolarHBondContact O-CB 3.47Å; V278-F282 PolarHBondContact O-N 3.04Å; F282-Q284 VanDerWaalsContact C-N 3.28Å; F282-Q284 PolarHBondContact O-N 3.44Å; F282-M285 WeakPolarHBondContact O-CB 3.29Å; F282-M285 PolarHBondContact O-N 2.9Å; F282-F286 HydrophobicContact CD1-CE2 4.17Å; F282-F286 HydrophobicContact CD2-CE2 4.26Å; F282-F286 HydrophobicContact CE1-CD2 4.36Å; F282-F286 AromaticContact CE1-CE2 3.68Å; F282-F286 HydrophobicContact CE1-CE2 3.68Å; F282-F286 AromaticContact CE2-CE2 3.78Å; F282-F286 HydrophobicContact CE2-CE2 3.78Å; F282-F286 HydrophobicContact CE2-CZ 4.41Å; F282-F286 HydrophobicContact CG-CE2 4.45Å; F282-F286 AromaticContact CZ-CE2 3.48Å; F282-F286 HydrophobicContact CZ-CE2 3.48Å; F282-F286 VanDerWaalsContact CZ-CE2 3.48Å; F282-F286 HydrophobicContact CZ-CZ 4.13Å; F282-F286 VanDerWaalsContact O-CD2 3.31Å; F282-F286 WeakPolarHBondContact O-CD2 3.27Å
283R64.3Low69Low206 Ų20687.2 Ų87.278%0.77746%0.457SS*.Hα-helixtrans-63-35.2172.9-171.2179.7-79-177.5-6.2112.2A281 S287A281-R283 PolarHBondContact O-N 3.37Å; R283-S287 PolarHBondContact O-OG 3.4Å
284Q60.1Low67.9Low96 Ų9690 Ų9045%0.44948%0.478SS..Hα-helixtrans-78.2-28.3177.7-73.2178.4-7.200113.5S280 A281 F282 F286 S287 K288S280-Q284 PolarHBondContact O-N 3.31Å; A281-Q284 CarbonylContact O-C 3.5Å; A281-Q284 WeakPolarHBondContact O-CA 3.42Å; A281-Q284 PolarHBondContact O-N 3.32Å; F282-Q284 VanDerWaalsContact C-N 3.28Å; F282-Q284 PolarHBondContact O-N 3.44Å; Q284-F286 VanDerWaalsContact C-N 3.31Å; Q284-F286 PolarHBondContact O-N 2.99Å; Q284-S287 WeakPolarHBondContact CA-OG 3.4Å; Q284-S287 PolarHBondContact O-N 3.34Å; Q284-S287 VanDerWaalsContact O-N 3.15Å; Q284-S287 PolarHBondContact O-OG 3.47Å; Q284-K288 CarbonylContact O-C 3.46Å; Q284-K288 PolarHBondContact O-N 2.76Å
285M60.2Low67.1Low80 Ų8090.7 Ų90.739%0.39448%0.481SS..Hα-helixtrans-60.6-40.3177.5173179.4-53.800111.6A281 F282 L292A281-M285 WeakPolarHBondContact O-CB 3.18Å; A281-M285 PolarHBondContact O-N 2.87Å; F282-M285 WeakPolarHBondContact O-CB 3.29Å; F282-M285 PolarHBondContact O-N 2.9Å; M285-L292 HydrophobicContact CB-CD1 4.16Å; M285-L292 HydrophobicContact CE-CD1 4.04Å; M285-L292 HydrophobicContact CE-CD2 3.66Å; M285-L292 HydrophobicContact CE-CG 4.47Å; M285-L292 HydrophobicContact CG-CD1 3.9Å
286F67.3Low66.4Low159 Ų15991.1 Ų91.170%0.69748%0.475SS*.Hα-helixtrans-75.6-22.8175.6-73.4-76.2000114.2F282 Q284F282-F286 HydrophobicContact CD1-CE2 4.17Å; F282-F286 HydrophobicContact CD2-CE2 4.26Å; F282-F286 HydrophobicContact CE1-CD2 4.36Å; F282-F286 AromaticContact CE1-CE2 3.68Å; F282-F286 HydrophobicContact CE1-CE2 3.68Å; F282-F286 AromaticContact CE2-CE2 3.78Å; F282-F286 HydrophobicContact CE2-CE2 3.78Å; F282-F286 HydrophobicContact CE2-CZ 4.41Å; F282-F286 HydrophobicContact CG-CE2 4.45Å; F282-F286 AromaticContact CZ-CE2 3.48Å; F282-F286 HydrophobicContact CZ-CE2 3.48Å; F282-F286 VanDerWaalsContact CZ-CE2 3.48Å; F282-F286 HydrophobicContact CZ-CZ 4.13Å; F282-F286 VanDerWaalsContact O-CD2 3.31Å; F282-F286 WeakPolarHBondContact O-CD2 3.27Å; Q284-F286 VanDerWaalsContact C-N 3.31Å; Q284-F286 PolarHBondContact O-N 2.99Å
287S69.6Low65.8Low83 Ų8393.9 Ų93.958%0.5848%0.478SS*.Hα-helixtrans-99.9-34.4-17638.40000113.5R283 Q284R283-S287 PolarHBondContact O-OG 3.4Å; Q284-S287 WeakPolarHBondContact CA-OG 3.4Å; Q284-S287 PolarHBondContact O-N 3.34Å; Q284-S287 VanDerWaalsContact O-N 3.15Å; Q284-S287 PolarHBondContact O-OG 3.47Å
288K68Low65.6Low123 Ų12394.8 Ų94.854%0.53549%0.485SS..  trans-154.186.9179-65.1-170.2179.31790111.9Q284 S290 R291Q284-K288 CarbonylContact O-C 3.46Å; Q284-K288 PolarHBondContact O-N 2.76Å; K288-S290 VanDerWaalsContact C-N 3.29Å; K288-S290 PolarHBondContact O-N 2.85Å; K288-R291 PolarHBondContact O-N 3.23Å
289P67.4Low65.6Low86 Ų8699.7 Ų99.756%0.55850%0.501SS*.G310 helixtrans-65.8-24.8-175.624.5-33.6000114.3R291 L292P289-R291 PolarHBondContact O-N 3.5Å; P289-R291 VanDerWaalsContact O-N 3.12Å; P289-L292 WeakPolarHBondContact O-CB 3.41Å; P289-L292 PolarHBondContact O-N 3.39Å
290S69.8Low65.8Low106 Ų10699.7 Ų99.774%0.74149%0.493SS*.G310 helixtrans-64.4-15.6179.856.40000114.7K288K288-S290 VanDerWaalsContact C-N 3.29Å; K288-S290 PolarHBondContact O-N 2.85Å
291R66.6Low66.5Low150 Ų15096.5 Ų96.557%0.56647%0.47SS*.G310 helixtrans-91.3-6.2178.1-67.1-170.8177.6-177.7-2.3114K288 P289 S294 V295K288-R291 PolarHBondContact O-N 3.23Å; P289-R291 PolarHBondContact O-N 3.5Å; P289-R291 VanDerWaalsContact O-N 3.12Å; R291-S294 PolarHBondContact O-N 3.48Å; R291-S294 VanDerWaalsContact O-N 3.16Å; R291-S294 PolarHBondContact O-OG 3.22Å; R291-V295 WeakPolarHBondContact O-CG2 3.23Å; R291-V295 PolarHBondContact O-N 2.94Å
292L65.9Low67.8Low39 Ų3999.3 Ų99.320%0.20448%0.482CS..Hα-helixtrans-54-48.2-178.4-92.9158.1000114.8M285 P289 S294 V295 F296M285-L292 HydrophobicContact CB-CD1 4.16Å; M285-L292 HydrophobicContact CE-CD1 4.04Å; M285-L292 HydrophobicContact CE-CD2 3.66Å; M285-L292 HydrophobicContact CE-CG 4.47Å; M285-L292 HydrophobicContact CG-CD1 3.9Å; P289-L292 WeakPolarHBondContact O-CB 3.41Å; P289-L292 PolarHBondContact O-N 3.39Å; L292-S294 VanDerWaalsContact C-N 3.25Å; L292-S294 PolarHBondContact O-N 2.8Å; L292-V295 PolarHBondContact O-N 3.25Å; L292-V295 VanDerWaalsContact O-N 3.08Å; L292-F296 HydrophobicContact CD2-CE2 3.86Å; L292-F296 WeakPolarHBondContact O-CD2 3.24Å; L292-F296 PolarHBondContact O-N 3.09Å
293P67.7Low69.1Low90 Ų9097.1 Ų97.158%0.58447%0.473SS*.Hα-helixtrans-60.2-37.2179.6-23.233.7000112.2V295 F296 Y297P293-V295 VanDerWaalsContact C-N 3.29Å; P293-V295 PolarHBondContact O-N 3.06Å; P293-F296 PolarHBondContact O-N 2.93Å; P293-Y297 WeakPolarHBondContact O-CB 3.48Å; P293-Y297 PolarHBondContact O-N 3.36Å
294S63.1Low70.3Confident74 Ų7488.3 Ų88.352%0.51744%0.442SS..Hα-helixtrans-69-24.5178.673.90000113.7R291 L292R291-S294 PolarHBondContact O-N 3.48Å; R291-S294 VanDerWaalsContact O-N 3.16Å; R291-S294 PolarHBondContact O-OG 3.22Å; L292-S294 VanDerWaalsContact C-N 3.25Å; L292-S294 PolarHBondContact O-N 2.8Å
295V63.6Low71.9Confident25 Ų2583.8 Ų83.815%0.15242%0.42CS..Hα-helixtrans-76.1-36.7176.2-1790000111.5A281 R291 L292 P293 N301A281-V295 HydrophobicContact CB-CG1 3.94Å; R291-V295 WeakPolarHBondContact O-CG2 3.23Å; R291-V295 PolarHBondContact O-N 2.94Å; L292-V295 PolarHBondContact O-N 3.25Å; L292-V295 VanDerWaalsContact O-N 3.08Å; P293-V295 VanDerWaalsContact C-N 3.29Å; P293-V295 PolarHBondContact O-N 3.06Å; V295-N301 PolarHBondContact O-ND2 3.43Å
296F64.9Low73.6Confident83 Ų8380.8 Ų80.836%0.36441%0.408SS..Hα-helixtrans-77.4-35.5175-70.3-71.5000112.3Y270 C274 L292 P293 N298 N301Y270-F296 PolarHBondContact OH-O 3.35Å; Y270-F296 VanDerWaalsContact OH-O 3.07Å; C274-F296 HydrophobicContact CB-CD1 4.23Å; C274-F296 HydrophobicContact CB-CE1 4.35Å; L292-F296 HydrophobicContact CD2-CE2 3.86Å; L292-F296 WeakPolarHBondContact O-CD2 3.24Å; L292-F296 PolarHBondContact O-N 3.09Å; P293-F296 PolarHBondContact O-N 2.93Å; F296-N298 VanDerWaalsContact C-N 3.28Å; F296-N298 PolarHBondContact O-N 3.44Å; F296-N301 PolarHBondContact O-ND2 3.05Å
297Y65.8Low75Confident182 Ų18273.9 Ų73.971%0.71438%0.378SS*.THydrogen-bonded Turntrans-92.538.7179.1-127.5-90.9000113.2P293 F302P293-Y297 WeakPolarHBondContact O-CB 3.48Å; P293-Y297 PolarHBondContact O-N 3.36Å; Y297-F302 HydrophobicContact CD1-CE2 4.43Å; Y297-F302 HydrophobicContact CE1-CZ 4.23Å
298N69.4Low76.2Confident57 Ų5771.2 Ų71.231%0.30536%0.357SS..  trans-89.9134.2177.7-173.2-24.2000110.1F296 E300 N301 F302F296-N298 VanDerWaalsContact C-N 3.28Å; F296-N298 PolarHBondContact O-N 3.44Å; N298-E300 PolarHBondContact O-N 3.16Å; N298-E300 PolarHBondContact OD1-N 2.93Å; N298-E300 VanDerWaalsContact OD1-N 3.09Å; N298-N301 VanDerWaalsContact O-CB 3.31Å; N298-N301 WeakPolarHBondContact O-CB 3.37Å; N298-N301 PolarHBondContact O-N 3.38Å; N298-F302 WeakPolarHBondContact O-CD2 3.45Å
299K70.4Confident77.6Confident169 Ų16965.3 Ų65.374%0.73533%0.331SS*.Hα-helixtrans-47.7-34.1175.4-174.3176.6-178.9178.30113N301 F302K299-N301 VanDerWaalsContact C-N 3.3Å; K299-N301 PolarHBondContact O-N 3.43Å; K299-F302 PolarHBondContact O-N 3.16Å
300E70.8Confident79Confident95 Ų9562 Ų6244%0.44431%0.31SS..Hα-helixtrans-59.3-40.1175.4-70.7177.4178.900112.3Q273 K277 N298 F302 Q303Q273-E300 PolarHBondContact NE2-O 2.96Å; Q273-E300 PolarHBondContact OE1-O 3.38Å; K277-E300 WeakPolarHBondContact CE-OE2 3.28Å; K277-E300 IonicContact NZ-OE2 2.68Å; K277-E300 PolarHBondContact NZ-OE2 2.74Å; N298-E300 PolarHBondContact O-N 3.16Å; N298-E300 PolarHBondContact OD1-N 2.93Å; N298-E300 VanDerWaalsContact OD1-N 3.09Å; E300-F302 PolarHBondContact O-N 2.9Å; E300-Q303 WeakPolarHBondContact O-CB 3.47Å; E300-Q303 PolarHBondContact O-N 2.85Å
301N76.6Confident80.3Confident0 Ų057.5 Ų57.50%028%0.277CS..Hα-helixtrans-65.2-22.9-177.8-57.2-9.2000112.7Y270 Q273 K277 V295 F296 N298 K299Y270-N301 HydrophobicContact CD2-CB 4.31Å; Y270-N301 WeakPolarHBondContact CD2-O 3.42Å; Y270-N301 HydrophobicContact CE2-CB 3.99Å; Q273-N301 HydrophobicContact CG-CB 4.48Å; Q273-N301 PolarHBondContact OE1-O 3.15Å; K277-N301 WeakPolarHBondContact CD-OD1 3.35Å; K277-N301 WeakPolarHBondContact CE-OD1 3.48Å; K277-N301 PolarHBondContact NZ-OD1 2.94Å; V295-N301 PolarHBondContact O-ND2 3.43Å; F296-N301 PolarHBondContact O-ND2 3.05Å; N298-N301 VanDerWaalsContact O-CB 3.31Å; N298-N301 WeakPolarHBondContact O-CB 3.37Å; N298-N301 PolarHBondContact O-N 3.38Å; K299-N301 VanDerWaalsContact C-N 3.3Å; K299-N301 PolarHBondContact O-N 3.43Å
302F87.7Confident81.8Confident64 Ų6450.4 Ų50.428%0.28125%0.251SS..Hα-helixtrans-82.1-22.4176.7-71.3-97.6000112.6F266 Y270 Y297 N298 K299 E300 G305 A306F266-F302 AromaticContact CZ-CD1 3.85Å; F266-F302 HydrophobicContact CZ-CD1 3.85Å; F266-F302 HydrophobicContact CZ-CE1 4.41Å; Y270-F302 HydrophobicContact CE2-CD1 4.44Å; Y270-F302 HydrophobicContact CE2-CD2 4.11Å; Y270-F302 HydrophobicContact CE2-CE1 4.15Å; Y270-F302 AromaticContact CE2-CE2 3.82Å; Y270-F302 HydrophobicContact CE2-CE2 3.82Å; Y270-F302 HydrophobicContact CE2-CG 4.4Å; Y270-F302 AromaticContact CE2-CZ 3.83Å; Y270-F302 HydrophobicContact CE2-CZ 3.83Å; Y297-F302 HydrophobicContact CD1-CE2 4.43Å; Y297-F302 HydrophobicContact CE1-CZ 4.23Å; N298-F302 WeakPolarHBondContact O-CD2 3.45Å; K299-F302 PolarHBondContact O-N 3.16Å; E300-F302 PolarHBondContact O-N 2.9Å; F302-G305 PolarHBondContact O-N 2.75Å; F302-A306 VanDerWaalsContact O-CB 3.22Å; F302-A306 WeakPolarHBondContact O-CB 3.39Å; F302-A306 PolarHBondContact O-N 2.99Å
303Q91.3Very high83.3Confident72 Ų7250 Ų5034%0.33625%0.251SS..Hα-helixtrans-67.3-44.4-172-69.7175.3-23.500112.3E300 A306 F307 F347 Y348E300-Q303 WeakPolarHBondContact O-CB 3.47Å; E300-Q303 PolarHBondContact O-N 2.85Å; Q303-A306 PolarHBondContact O-N 2.81Å; Q303-F307 WeakPolarHBondContact O-CB 3.31Å; Q303-F307 PolarHBondContact O-N 2.87Å; Q303-F347 VanDerWaalsContact CB-O 3.31Å; Q303-F347 WeakPolarHBondContact CB-O 3.46Å; Q303-F347 WeakPolarHBondContact CG-O 3.46Å; Q303-Y348 HydrophobicContact CB-CD2 3.71Å
304L90.9Very high84.7Confident22 Ų2248.6 Ų48.612%0.11524%0.238CC..Hα-helixtrans-67.2-40.1177.8-175.364.6000111.5I272 Q273 F307 L308 Y348I272-L304 HydrophobicContact CB-CD2 4.13Å; I272-L304 HydrophobicContact CG2-CD2 3.84Å; Q273-L304 HydrophobicContact CB-CB 4.47Å; Q273-L304 HydrophobicContact CB-CD2 4.39Å; L304-F307 HydrophobicContact CD1-CD1 4.11Å; L304-F307 PolarHBondContact O-N 3.17Å; L304-L308 HydrophobicContact CD1-CD1 4.45Å; L304-L308 HydrophobicContact CD1-CG 4.46Å; L304-L308 HydrophobicContact CG-CD1 4.32Å; L304-L308 WeakPolarHBondContact O-CG 3.29Å; L304-L308 PolarHBondContact O-N 3.38Å; L304-Y348 HydrophobicContact CB-CD2 4.48Å; L304-Y348 HydrophobicContact CD1-CD1 4.25Å; L304-Y348 HydrophobicContact CD1-CE1 4.34Å
305G93.6Very high86.4Confident0 Ų045 Ų450%021%0.213CC..Hα-helixtrans-61-49.8173.700000112F266 F302 F307 L308 G309F266-G305 WeakPolarHBondContact CA-O 3.47Å; F266-G305 VanDerWaalsContact CD2-O 3.28Å; F266-G305 WeakPolarHBondContact CD2-O 3.48Å; F266-G305 WeakPolarHBondContact O-CA 3.37Å; F302-G305 PolarHBondContact O-N 2.75Å; G305-F307 VanDerWaalsContact C-N 3.31Å; G305-F307 PolarHBondContact O-N 3.42Å; G305-L308 PolarHBondContact O-N 2.91Å; G305-G309 PolarHBondContact O-N 3.32Å
306A95.4Very high87.9Confident17 Ų1744.5 Ų44.514%0.1421%0.209CC..Hα-helixtrans-60.7-40.8178.300000111.8F266 F302 Q303 S310 F347F266-A306 HydrophobicContact CE2-CB 4.26Å; F302-A306 VanDerWaalsContact O-CB 3.22Å; F302-A306 WeakPolarHBondContact O-CB 3.39Å; F302-A306 PolarHBondContact O-N 2.99Å; Q303-A306 PolarHBondContact O-N 2.81Å; A306-S310 WeakPolarHBondContact O-CB 3.46Å; A306-S310 PolarHBondContact O-N 2.76Å; A306-S310 PolarHBondContact O-OG 3.02Å; A306-F347 HydrophobicContact CB-CB 4.03Å; A306-F347 HydrophobicContact CB-CD1 4.03Å; A306-F347 HydrophobicContact CB-CD2 4.33Å; A306-F347 HydrophobicContact CB-CG 3.88Å
307F95.8Very high89.4Confident14 Ų1441.9 Ų41.96%0.06121%0.205CC..Hα-helixtrans-58.8-60172.8164.2-115.3000111.8F157 Q303 L304 G305 G309 S310 F311 S344 M345 F347F157-F307 AromaticContact CE1-CE2 3.73Å; F157-F307 HydrophobicContact CE1-CE2 3.73Å; F157-F307 HydrophobicContact CE1-CZ 4.08Å; F157-F307 HydrophobicContact CE2-CZ 4.11Å; F157-F307 AromaticContact CZ-CE2 3.68Å; F157-F307 HydrophobicContact CZ-CE2 3.68Å; F157-F307 AromaticContact CZ-CZ 3.53Å; F157-F307 HydrophobicContact CZ-CZ 3.53Å; Q303-F307 WeakPolarHBondContact O-CB 3.31Å; Q303-F307 PolarHBondContact O-N 2.87Å; L304-F307 HydrophobicContact CD1-CD1 4.11Å; L304-F307 PolarHBondContact O-N 3.17Å; G305-F307 VanDerWaalsContact C-N 3.31Å; G305-F307 PolarHBondContact O-N 3.42Å; F307-G309 PolarHBondContact O-N 3.46Å; F307-S310 PolarHBondContact O-N 2.87Å; F307-F311 VanDerWaalsContact O-CB 3.26Å; F307-F311 WeakPolarHBondContact O-CB 3.42Å; F307-F311 PolarHBondContact O-N 3.34Å; F307-S344 WeakPolarHBondContact CD2-OG 3.16Å; F307-M345 HydrophobicContact CD2-SD 4.33Å; F307-M345 HydrophobicContact CE2-CB 4.3Å; F307-M345 HydrophobicContact CE2-SD 3.74Å; F307-M345 HydrophobicContact CZ-SD 4Å; F307-F347 HydrophobicContact CB-CB 4.22Å
308L95.6Very high90.9Very high27 Ų2734.1 Ų34.114%0.14118%0.176CC..Hα-helixtrans-64.5-43.5-175.2-69.8178.3000112.6M265 L304 G305 V312M265-L308 HydrophobicContact CB-CB 4.26Å; L304-L308 HydrophobicContact CD1-CD1 4.45Å; L304-L308 HydrophobicContact CD1-CG 4.46Å; L304-L308 HydrophobicContact CG-CD1 4.32Å; L304-L308 WeakPolarHBondContact O-CG 3.29Å; L304-L308 PolarHBondContact O-N 3.38Å; G305-L308 PolarHBondContact O-N 2.91Å; L308-V312 VanDerWaalsContact O-CG2 3.26Å; L308-V312 WeakPolarHBondContact O-CG2 3.42Å; L308-V312 PolarHBondContact O-N 3.2Å
309G96.8Very high92.1Very high0 Ų031.4 Ų31.40%016%0.162CC..Hα-helixtrans-61.9-49177.500000111.8F262 G305 F307 V312 S313F262-G309 VanDerWaalsContact CD2-O 3.31Å; F262-G309 WeakPolarHBondContact CD2-O 3.47Å; G305-G309 PolarHBondContact O-N 3.32Å; F307-G309 PolarHBondContact O-N 3.46Å; G309-V312 PolarHBondContact O-N 3.16Å; G309-S313 WeakPolarHBondContact O-CB 3.38Å; G309-S313 PolarHBondContact O-N 2.71Å
310S97.6Very high93.2Very high15 Ų1523.6 Ų23.611%0.10513%0.128CC..Hα-helixtrans-66.9-40.4179.9-54.90000111.8A306 F307 V312 S313 I314 F347A306-S310 WeakPolarHBondContact O-CB 3.46Å; A306-S310 PolarHBondContact O-N 2.76Å; A306-S310 PolarHBondContact O-OG 3.02Å; F307-S310 PolarHBondContact O-N 2.87Å; S310-V312 VanDerWaalsContact C-N 3.33Å; S310-V312 PolarHBondContact O-N 3.34Å; S310-S313 PolarHBondContact O-N 3.49Å; S310-I314 VanDerWaalsContact O-CB 3.3Å; S310-I314 WeakPolarHBondContact O-CB 3.27Å; S310-I314 WeakPolarHBondContact O-CD1 3.33Å; S310-I314 WeakPolarHBondContact O-CG1 3.36Å; S310-I314 PolarHBondContact O-N 3.15Å; S310-F347 VanDerWaalsContact OG-CE2 3.32Å; S310-F347 WeakPolarHBondContact OG-CE2 3.43Å
311F97.8Very high94.4Very high13 Ų1323.8 Ų23.86%0.05713%0.132CC..Hα-helixtrans-52.8-52.7175.5-175.7-90.3000110.9F157 A161 M165 F307 Y315 A341 S344F157-F311 AromaticContact CE1-CD2 3.9Å; F157-F311 HydrophobicContact CE1-CD2 3.9Å; F157-F311 AromaticContact CE1-CE2 3.78Å; F157-F311 HydrophobicContact CE1-CE2 3.78Å; F157-F311 HydrophobicContact CZ-CD2 4.13Å; F157-F311 AromaticContact CZ-CE2 3.9Å; F157-F311 HydrophobicContact CZ-CE2 3.9Å; A161-F311 HydrophobicContact CB-CE2 3.79Å; A161-F311 HydrophobicContact CB-CZ 4.07Å; M165-F311 HydrophobicContact CE-CE1 3.87Å; M165-F311 HydrophobicContact CE-CZ 3.69Å; M165-F311 HydrophobicContact SD-CE1 4.22Å; M165-F311 HydrophobicContact SD-CZ 4.23Å; F307-F311 VanDerWaalsContact O-CB 3.26Å; F307-F311 WeakPolarHBondContact O-CB 3.42Å; F307-F311 PolarHBondContact O-N 3.34Å; F311-Y315 VanDerWaalsContact O-CB 3.25Å; F311-Y315 WeakPolarHBondContact O-CB 3.39Å; F311-Y315 PolarHBondContact O-N 2.9Å; F311-A341 HydrophobicContact CD2-CB 3.81Å; F311-A341 VanDerWaalsContact CD2-O 3.28Å; F311-A341 WeakPolarHBondContact CD2-O 3.11Å; F311-A341 HydrophobicContact CE2-CB 3.79Å; F311-A341 HydrophobicContact CG-CB 4.2Å; F311-A341 HydrophobicContact CZ-CB 4.17Å; F311-A341 WeakPolarHBondContact O-CB 3.26Å; F311-S344 WeakPolarHBondContact CB-OG 3.39Å; F311-S344 WeakPolarHBondContact CD2-OG 3.25Å
312V97.3Very high95.3Very high1 Ų124.8 Ų24.81%0.00614%0.137CC..Hα-helixtrans-66.9-43.2-177.9174.50000111.5I185 M265 L308 G309 S310 K316I185-V312 HydrophobicContact CG2-CG2 3.59Å; M265-V312 HydrophobicContact CB-CG2 3.99Å; M265-V312 HydrophobicContact CG-CB 4.32Å; M265-V312 HydrophobicContact CG-CG1 4.4Å; M265-V312 HydrophobicContact CG-CG2 3.67Å; L308-V312 VanDerWaalsContact O-CG2 3.26Å; L308-V312 WeakPolarHBondContact O-CG2 3.42Å; L308-V312 PolarHBondContact O-N 3.2Å; G309-V312 PolarHBondContact O-N 3.16Å; S310-V312 VanDerWaalsContact C-N 3.33Å; S310-V312 PolarHBondContact O-N 3.34Å; V312-K316 HydrophobicContact CG1-CD 3.91Å; V312-K316 HydrophobicContact CG1-CG 4.44Å; V312-K316 WeakPolarHBondContact O-CB 3.18Å; V312-K316 VanDerWaalsContact O-CG 3.28Å; V312-K316 WeakPolarHBondContact O-CG 3.43Å; V312-K316 PolarHBondContact O-N 3.1Å
313S97.1Very high95.6Very high30 Ų3021.8 Ų21.821%0.2112%0.124CC..Hα-helixtrans-65.1-45.7-180-167.40000112.4G309 S310 G317G309-S313 WeakPolarHBondContact O-CB 3.38Å; G309-S313 PolarHBondContact O-N 2.71Å; S310-S313 PolarHBondContact O-N 3.49Å; S313-G317 PolarHBondContact O-N 3.45Å
314I97.9Very high95.7Very high60 Ų6023.8 Ų23.831%0.30813%0.129SC..Hα-helixtrans-65.4-43.3179.1-66.2164.9000109.7S310 T318 L340 A341S310-I314 VanDerWaalsContact O-CB 3.3Å; S310-I314 WeakPolarHBondContact O-CB 3.27Å; S310-I314 WeakPolarHBondContact O-CD1 3.33Å; S310-I314 WeakPolarHBondContact O-CG1 3.36Å; S310-I314 PolarHBondContact O-N 3.15Å; I314-T318 VanDerWaalsContact O-CB 3.26Å; I314-T318 WeakPolarHBondContact O-CB 3.44Å; I314-T318 PolarHBondContact O-N 3.28Å; I314-T318 PolarHBondContact O-OG1 3.25Å; I314-L340 HydrophobicContact CG2-CB 4.01Å; I314-A341 HydrophobicContact CB-CB 4.39Å; I314-A341 HydrophobicContact CG2-CB 4.31Å
315Y97.8Very high95.9Very high0 Ų028.8 Ų28.80%016%0.155CC..Hα-helixtrans-58.2-55.2176.7178.2-99.6000111.3M165 R169 I186 E190 F311 G317 T318 S319 A334 A337M165-Y315 HydrophobicContact CB-CD2 4.39Å; M165-Y315 HydrophobicContact CB-CE2 3.64Å; M165-Y315 HydrophobicContact CG-CD2 3.78Å; M165-Y315 HydrophobicContact CG-CE2 3.48Å; M165-Y315 VanDerWaalsContact CG-CE2 3.48Å; M165-Y315 HydrophobicContact SD-CD2 3.97Å; M165-Y315 HydrophobicContact SD-CE2 3.74Å; M165-Y315 HydrophobicContact SD-CG 4.49Å; R169-Y315 VanDerWaalsContact CD-OH 3.31Å; R169-Y315 WeakPolarHBondContact CD-OH 3.04Å; I186-Y315 HydrophobicContact CD1-CE1 4.37Å; I186-Y315 HydrophobicContact CG2-CD1 3.81Å; I186-Y315 HydrophobicContact CG2-CE1 3.54Å; E190-Y315 HydrophobicContact CB-CE1 4.43Å; E190-Y315 HydrophobicContact CG-CE1 4.02Å; F311-Y315 VanDerWaalsContact O-CB 3.25Å; F311-Y315 WeakPolarHBondContact O-CB 3.39Å; F311-Y315 PolarHBondContact O-N 2.9Å; Y315-G317 PolarHBondContact O-N 2.72Å; Y315-T318 PolarHBondContact O-N 3.46Å; Y315-S319 WeakPolarHBondContact O-CB 2.99Å; Y315-S319 PolarHBondContact O-N 3.21Å; Y315-S319 PolarHBondContact O-OG 3.36Å; Y315-S319 VanDerWaalsContact O-OG 3.11Å; Y315-A334 HydrophobicContact CE2-CB 4.43Å; Y315-A337 HydrophobicContact CD2-CB 3.57Å; Y315-A337 HydrophobicContact CE2-CB 3.75Å; Y315-A337 HydrophobicContact CG-CB 4.38Å
316K95.8Very high95.8Very high14 Ų1434.3 Ų34.36%0.06118%0.176CC..Hα-helixtrans-61.7-43.8-179.5-71.9179.9173.4-159.90112.2I186 Y257 V312 S319 C320I186-K316 WeakPolarHBondContact O-CE 3.35Å; I186-K316 PolarHBondContact O-NZ 2.87Å; Y257-K316 HydrophobicContact CD1-CB 3.96Å; Y257-K316 HydrophobicContact CD1-CD 3.75Å; Y257-K316 HydrophobicContact CD1-CG 4.05Å; Y257-K316 HydrophobicContact CD2-CD 4.5Å; Y257-K316 HydrophobicContact CE1-CB 3.85Å; Y257-K316 HydrophobicContact CE1-CD 3.38Å; Y257-K316 HydrophobicContact CE1-CG 3.49Å; Y257-K316 VanDerWaalsContact CE1-CG 3.49Å; Y257-K316 HydrophobicContact CE2-CD 4.18Å; Y257-K316 VanDerWaalsContact CE2-NZ 3.27Å; Y257-K316 HydrophobicContact CG-CD 4.29Å; Y257-K316 VanDerWaalsContact CZ-NZ 3.29Å; Y257-K316 VanDerWaalsContact OH-CE 3.28Å; Y257-K316 WeakPolarHBondContact OH-CE 3.26Å; Y257-K316 PolarHBondContact OH-NZ 2.94Å; V312-K316 HydrophobicContact CG1-CD 3.91Å; V312-K316 HydrophobicContact CG1-CG 4.44Å; V312-K316 WeakPolarHBondContact O-CB 3.18Å; V312-K316 VanDerWaalsContact O-CG 3.28Å; V312-K316 WeakPolarHBondContact O-CG 3.43Å; V312-K316 PolarHBondContact O-N 3.1Å; K316-S319 PolarHBondContact O-N 3.44Å; K316-C320 WeakPolarHBondContact O-CB 3.5Å; K316-C320 PolarHBondContact O-N 3.24Å; K316-C320 PolarHBondContact O-SG 3.28Å
317G95.8Very high95.6Very high27 Ų2737.2 Ų37.228%0.27819%0.189SC..Hα-helixtrans-62.9-45.7179.600000111.8C258 S313 Y315 C320 L321C258-G317 WeakPolarHBondContact SG-CA 3.32Å; C258-G317 PolarHBondContact SG-N 3.08Å; C258-G317 VanDerWaalsContact SG-N 3.36Å; S313-G317 PolarHBondContact O-N 3.45Å; Y315-G317 PolarHBondContact O-N 2.72Å; G317-C320 PolarHBondContact O-N 3.27Å; G317-L321 WeakPolarHBondContact O-CB 3.36Å; G317-L321 PolarHBondContact O-N 2.96Å
318T96.8Very high95.4Very high19 Ų1940.1 Ų40.112%0.11720%0.204CC..Hα-helixtrans-65.2-44.9176.8-52.70000111.3I314 Y315 C320 L321 L322 I336 A337 L340I314-T318 VanDerWaalsContact O-CB 3.26Å; I314-T318 WeakPolarHBondContact O-CB 3.44Å; I314-T318 PolarHBondContact O-N 3.28Å; I314-T318 PolarHBondContact O-OG1 3.25Å; Y315-T318 PolarHBondContact O-N 3.46Å; T318-C320 VanDerWaalsContact C-N 3.32Å; T318-C320 PolarHBondContact O-N 3.46Å; T318-L321 PolarHBondContact O-N 3.1Å; T318-L322 HydrophobicContact CG2-CD1 3.94Å; T318-L322 HydrophobicContact CG2-CG 4.29Å; T318-L322 WeakPolarHBondContact O-CG 3.32Å; T318-L322 PolarHBondContact O-N 3.43Å; T318-I336 HydrophobicContact CG2-CG2 4.31Å; T318-A337 HydrophobicContact CG2-CB 3.9Å; T318-L340 HydrophobicContact CG2-CD1 3.86Å
319S95.4Very high95.1Very high0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-60.2-41.7176.7-68.40000112Y315 K316 R323 A337Y315-S319 WeakPolarHBondContact O-CB 2.99Å; Y315-S319 PolarHBondContact O-N 3.21Å; Y315-S319 PolarHBondContact O-OG 3.36Å; Y315-S319 VanDerWaalsContact O-OG 3.11Å; K316-S319 PolarHBondContact O-N 3.44Å; S319-R323 WeakPolarHBondContact O-CD 3.45Å; S319-R323 VanDerWaalsContact O-CG 3.24Å; S319-R323 WeakPolarHBondContact O-CG 3.24Å; S319-R323 PolarHBondContact O-N 3.31Å; S319-R323 VanDerWaalsContact O-N 3.09Å; S319-A337 WeakPolarHBondContact OG-CB 3.26Å
320C94.4Very high94.7Very high5 Ų543.1 Ų43.13%0.03422%0.22CC..Hα-helixtrans-62.3-52.6172.9-67.50000110.4H249 C254 K316 G317 T318 L322 R323 W324H249-C320 PolarHBondContact NE2-SG 2.93Å; C254-C320 HydrophobicContact CB-CB 4.24Å; K316-C320 WeakPolarHBondContact O-CB 3.5Å; K316-C320 PolarHBondContact O-N 3.24Å; K316-C320 PolarHBondContact O-SG 3.28Å; G317-C320 PolarHBondContact O-N 3.27Å; T318-C320 VanDerWaalsContact C-N 3.32Å; T318-C320 PolarHBondContact O-N 3.46Å; C320-L322 VanDerWaalsContact C-N 3.29Å; C320-L322 PolarHBondContact O-N 2.95Å; C320-R323 WeakPolarHBondContact O-CA 3.43Å; C320-R323 WeakPolarHBondContact O-CB 3.28Å; C320-R323 PolarHBondContact O-N 2.85Å; C320-W324 PolarHBondContact O-N 3.05Å
321L95.4Very high94.5Very high99 Ų9946.1 Ų46.152%0.51823%0.233SC..Hα-helixtrans-54.2-44.4-180178.961.7000112.2G317 T318 R323 W324 L325G317-L321 WeakPolarHBondContact O-CB 3.36Å; G317-L321 PolarHBondContact O-N 2.96Å; T318-L321 PolarHBondContact O-N 3.1Å; L321-R323 VanDerWaalsContact C-N 3.35Å; L321-R323 PolarHBondContact O-N 3.36Å; L321-W324 WeakPolarHBondContact O-CB 3.41Å; L321-W324 PolarHBondContact O-N 3.46Å; L321-L325 HydrophobicContact CD1-CD1 4.15Å; L321-L325 HydrophobicContact CD1-CG 4.21Å; L321-L325 HydrophobicContact CG-CD1 4Å; L321-L325 HydrophobicContact CG-CG 4.45Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 2.98Å
322L94.7Very high94.2Very high22 Ų2249.5 Ų49.512%0.11525%0.251CS..Hα-helixtrans-66.1-35.7177.6-68.5172.4000112.6T318 C320 W324 L325 R326 H333 I336T318-L322 HydrophobicContact CG2-CD1 3.94Å; T318-L322 HydrophobicContact CG2-CG 4.29Å; T318-L322 WeakPolarHBondContact O-CG 3.32Å; T318-L322 PolarHBondContact O-N 3.43Å; C320-L322 VanDerWaalsContact C-N 3.29Å; C320-L322 PolarHBondContact O-N 2.95Å; L322-W324 VanDerWaalsContact C-N 3.35Å; L322-L325 PolarHBondContact O-N 2.95Å; L322-R326 WeakPolarHBondContact O-CB 3.49Å; L322-R326 PolarHBondContact O-N 3.27Å; L322-H333 HydrophobicContact CB-CB 4.14Å; L322-H333 HydrophobicContact CD1-CB 3.82Å; L322-I336 HydrophobicContact CD1-CB 3.93Å; L322-I336 HydrophobicContact CD1-CD1 4.23Å; L322-I336 HydrophobicContact CD1-CG2 4.1Å
323R94.5Very high94.1Very high0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-64.5-37.9171.1-71.8166.3-178.1142.56112.2E190 H244 C246 S319 C320 L321 N327 D329E190-R323 IonicContact OE1-CZ 3.46Å; E190-R323 IonicContact OE1-NH1 3.61Å; E190-R323 PolarHBondContact OE1-NH1 2.95Å; E190-R323 IonicContact OE1-NH2 3.32Å; E190-R323 PolarHBondContact OE1-NH2 2.89Å; E190-R323 IonicContact OE2-CZ 2.79Å; E190-R323 IonicContact OE2-NH1 3.38Å; E190-R323 IonicContact OE2-NH2 3.38Å; E190-R323 PolarHBondContact OE2-NH2 3.03Å; H244-R323 PolarHBondContact CE1-O 3.48Å; H244-R323 PolarHBondContact ND1-O 3.05Å; C246-R323 HydrophobicContact CB-CB 4.18Å; C246-R323 HydrophobicContact CB-CG 4.38Å; S319-R323 WeakPolarHBondContact O-CD 3.45Å; S319-R323 VanDerWaalsContact O-CG 3.24Å; S319-R323 WeakPolarHBondContact O-CG 3.24Å; S319-R323 PolarHBondContact O-N 3.31Å; S319-R323 VanDerWaalsContact O-N 3.09Å; C320-R323 WeakPolarHBondContact O-CA 3.43Å; C320-R323 WeakPolarHBondContact O-CB 3.28Å; C320-R323 PolarHBondContact O-N 2.85Å; L321-R323 VanDerWaalsContact C-N 3.35Å; L321-R323 PolarHBondContact O-N 3.36Å; R323-N327 WeakPolarHBondContact O-CA 3.38Å; R323-N327 PolarHBondContact O-N 3.33Å; R323-D329 IonicContact CZ-OD1 3.19Å; R323-D329 IonicContact NE-OD1 3.1Å; R323-D329 PolarHBondContact NE-OD1 3.35Å; R323-D329 IonicContact NH2-OD1 3.6Å; R323-D329 PolarHBondContact NH2-OD1 3.36Å; R323-D329 VanDerWaalsContact NH2-OD1 3.1Å
324W93.7Very high94Very high115 Ų11548 Ų4844%0.43624%0.241SC..Hα-helixtrans-65-45.9174.1-83.484.6000111.2P242 H244 C320 L321 L322P242-W324 HydrophobicContact CB-CH2 3.77Å; P242-W324 HydrophobicContact CB-CZ2 3.78Å; P242-W324 HydrophobicContact CG-CH2 4.22Å; P242-W324 HydrophobicContact CG-CZ2 4.07Å; H244-W324 HydrophobicContact CB-CD2 4.03Å; H244-W324 HydrophobicContact CB-CG 4.01Å; H244-W324 HydrophobicContact CB-CZ2 4.23Å; H244-W324 AromaticContact CD2-CD2 3.7Å; H244-W324 AromaticContact CD2-CE3 3.93Å; H244-W324 AromaticContact CD2-CG 3.88Å; H244-W324 AromaticContact CG-CG 4Å; C320-W324 PolarHBondContact O-N 3.05Å; L321-W324 WeakPolarHBondContact O-CB 3.41Å; L321-W324 PolarHBondContact O-N 3.46Å; L322-W324 VanDerWaalsContact C-N 3.35Å
325L94.4Very high93.9Very high126 Ų12647.7 Ų47.766%0.6624%0.239SC*.Hα-helixtrans-71.5-41.5-176.3-69.1172.9000113.2L321 L322L321-L325 HydrophobicContact CD1-CD1 4.15Å; L321-L325 HydrophobicContact CD1-CG 4.21Å; L321-L325 HydrophobicContact CG-CD1 4Å; L321-L325 HydrophobicContact CG-CG 4.45Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 2.98Å; L322-L325 PolarHBondContact O-N 2.95Å
326R92.7Very high93.9Very high117 Ų11751.9 Ų51.944%0.44226%0.261SS..Hα-helixtrans-97.4-7.8-176.5-67.4-177.962-150.910.9114L322 I328 D330 H333L322-R326 WeakPolarHBondContact O-CB 3.49Å; L322-R326 PolarHBondContact O-N 3.27Å; R326-I328 HydrophobicContact CB-CD1 4.39Å; R326-I328 HydrophobicContact CB-CG1 3.84Å; R326-I328 PolarHBondContact O-N 3.42Å; R326-I328 VanDerWaalsContact O-N 3.09Å; R326-D330 IonicContact CZ-OD2 3.74Å; R326-D330 IonicContact NH1-OD2 3.58Å; R326-D330 PolarHBondContact NH1-OD2 2.84Å; R326-D330 IonicContact NH2-OD2 3.66Å; R326-D330 PolarHBondContact NH2-OD2 2.86Å; R326-H333 WeakPolarHBondContact CD-NE2 3.39Å; R326-H333 PolarHBondContact NH1-CD2 3.44Å; R326-H333 VanDerWaalsContact NH1-CD2 3.35Å; R326-H333 PolarHBondContact NH1-NE2 2.9Å
327N91.4Very high94Very high78 Ų7851.2 Ų51.242%0.41726%0.258SS..SBendtrans51.529.3-176.6-16129.7000114.4H244 R245 C246 R323H244-N327 PolarHBondContact CE1-OD1 2.98Å; H244-N327 PolarHBondContact NE2-OD1 3.04Å; R245-N327 PolarHBondContact NE-OD1 3.4Å; C246-N327 PolarHBondContact SG-O 2.91Å; R323-N327 WeakPolarHBondContact O-CA 3.38Å; R323-N327 PolarHBondContact O-N 3.33Å
328I91.4Very high94Very high75 Ų7549.9 Ų49.939%0.38524%0.244SC..SBendtrans-140157.6178.364.2176.5000110.4R326 D330 H333R326-I328 HydrophobicContact CB-CD1 4.39Å; R326-I328 HydrophobicContact CB-CG1 3.84Å; R326-I328 PolarHBondContact O-N 3.42Å; R326-I328 VanDerWaalsContact O-N 3.09Å; I328-D330 HydrophobicContact CD1-CB 4.15Å; I328-D330 HydrophobicContact CG1-CB 4.34Å; I328-H333 PolarHBondContact O-CE1 3.11Å; I328-H333 VanDerWaalsContact O-CE1 3.27Å
329D88Confident94.1Very high56 Ų5652.8 Ų52.830%0.29926%0.256SS..  trans-104.798.2169.7-171.545.2000110.3R169 K248 R323R169-D329 IonicContact CZ-OD1 2.75Å; R169-D329 IonicContact NH1-OD1 2.65Å; R169-D329 IonicContact NH2-OD1 3.33Å; R169-D329 PolarHBondContact NH2-OD1 3.18Å; R169-D329 IonicContact NH2-OD2 3.65Å; R169-D329 PolarHBondContact NH2-OD2 3.3Å; K248-D329 WeakPolarHBondContact CE-OD2 3.22Å; K248-D329 IonicContact NZ-OD2 3.42Å; K248-D329 PolarHBondContact NZ-OD2 2.92Å; R323-D329 IonicContact CZ-OD1 3.19Å; R323-D329 IonicContact NE-OD1 3.1Å; R323-D329 PolarHBondContact NE-OD1 3.35Å; R323-D329 IonicContact NH2-OD1 3.6Å; R323-D329 PolarHBondContact NH2-OD1 3.36Å; R323-D329 VanDerWaalsContact NH2-OD1 3.1Å
330D89.8Confident94.2Very high34 Ų3456.4 Ų56.418%0.18227%0.274CS..  trans-111.9146.8-175.7-173-4.7000110.6R169 R326 I328 L332 H333R169-D330 PolarHBondContact NH1-O 2.95Å; R326-D330 IonicContact CZ-OD2 3.74Å; R326-D330 IonicContact NH1-OD2 3.58Å; R326-D330 PolarHBondContact NH1-OD2 2.84Å; R326-D330 IonicContact NH2-OD2 3.66Å; R326-D330 PolarHBondContact NH2-OD2 2.86Å; I328-D330 HydrophobicContact CD1-CB 4.15Å; I328-D330 HydrophobicContact CG1-CB 4.34Å; D330-L332 VanDerWaalsContact C-N 3.3Å; D330-L332 PolarHBondContact OD1-N 3.17Å; D330-L332 VanDerWaalsContact OD1-N 3.13Å; D330-H333 WeakPolarHBondContact O-CB 3.31Å; D330-H333 PolarHBondContact O-N 2.71Å
331E91.6Very high94.4Very high77 Ų7756.1 Ų56.136%0.3627%0.273SS..THydrogen-bonded Turntrans-67.9-29.4174.755.2172.9-169.800112.1F166 R169 S170 H333 A334F166-E331 HydrophobicContact CD2-CB 4.42Å; F166-E331 HydrophobicContact CE2-CB 4.2Å; F166-E331 HydrophobicContact CE2-CG 3.81Å; R169-E331 HydrophobicContact CB-CB 4.33Å; S170-E331 VanDerWaalsContact CA-OE2 3.24Å; S170-E331 WeakPolarHBondContact CA-OE2 3.31Å; S170-E331 VanDerWaalsContact CB-OE2 3.28Å; S170-E331 WeakPolarHBondContact CB-OE2 3.39Å; S170-E331 PolarHBondContact OG-OE2 3.48Å; E331-H333 PolarHBondContact O-N 3.38Å; E331-H333 VanDerWaalsContact O-N 3.16Å; E331-A334 WeakPolarHBondContact O-CB 3.29Å; E331-A334 PolarHBondContact O-N 2.99Å
332L92.8Very high94.5Very high84 Ų8451.4 Ų51.444%0.4425%0.248SC..Hα-helixtrans-61.5-24.7176.6-65.5177.6000112.8F166 D330 A334 L335F166-L332 HydrophobicContact CE2-CD2 3.99Å; D330-L332 VanDerWaalsContact C-N 3.3Å; D330-L332 PolarHBondContact OD1-N 3.17Å; D330-L332 VanDerWaalsContact OD1-N 3.13Å; L332-A334 PolarHBondContact O-N 3.34Å; L332-L335 HydrophobicContact CD2-CD1 3.8Å; L332-L335 WeakPolarHBondContact O-CB 3.07Å; L332-L335 PolarHBondContact O-N 3.28Å; L332-L335 VanDerWaalsContact O-N 3.13Å
333H94.4Very high94.6Very high1 Ų153.5 Ų53.51%0.00526%0.261CS..Hα-helixtrans-58.6-30.5172.5-62.9170.2000111.8L322 R326 I328 D330 E331 L335 I336 A337L322-H333 HydrophobicContact CB-CB 4.14Å; L322-H333 HydrophobicContact CD1-CB 3.82Å; R326-H333 WeakPolarHBondContact CD-NE2 3.39Å; R326-H333 PolarHBondContact NH1-CD2 3.44Å; R326-H333 VanDerWaalsContact NH1-CD2 3.35Å; R326-H333 PolarHBondContact NH1-NE2 2.9Å; I328-H333 PolarHBondContact O-CE1 3.11Å; I328-H333 VanDerWaalsContact O-CE1 3.27Å; D330-H333 WeakPolarHBondContact O-CB 3.31Å; D330-H333 PolarHBondContact O-N 2.71Å; E331-H333 PolarHBondContact O-N 3.38Å; E331-H333 VanDerWaalsContact O-N 3.16Å; H333-L335 VanDerWaalsContact C-N 3.34Å; H333-L335 PolarHBondContact O-N 2.88Å; H333-I336 PolarHBondContact O-N 2.76Å; H333-A337 WeakPolarHBondContact O-CB 3.43Å; H333-A337 PolarHBondContact O-N 3.21Å
334A95Very high94.8Very high0 Ų053.6 Ų53.60%026%0.262CS..Hα-helixtrans-69.6-29.8179.600000113.1M165 R169 Y315 E331 L332 G338M165-A334 HydrophobicContact CB-CB 4.08Å; M165-A334 WeakPolarHBondContact CB-O 3.4Å; M165-A334 WeakPolarHBondContact O-CB 3.31Å; R169-A334 HydrophobicContact CB-CB 4.27Å; R169-A334 VanDerWaalsContact CD-CB 3.43Å; R169-A334 HydrophobicContact CG-CB 3.9Å; Y315-A334 HydrophobicContact CE2-CB 4.43Å; E331-A334 WeakPolarHBondContact O-CB 3.29Å; E331-A334 PolarHBondContact O-N 2.99Å; L332-A334 PolarHBondContact O-N 3.34Å; A334-G338 WeakPolarHBondContact O-CA 3.29Å; A334-G338 PolarHBondContact O-N 2.9Å
335L96.3Very high94.9Very high52 Ų5248.1 Ų48.127%0.27224%0.241SC..Hα-helixtrans-62-56.1174-73.5169.5000109.5S162 F166 L332 H333 A337 G338 F339S162-L335 WeakPolarHBondContact CB-O 3.39Å; S162-L335 WeakPolarHBondContact OG-CA 3.43Å; S162-L335 WeakPolarHBondContact OG-CD2 3.3Å; S162-L335 PolarHBondContact OG-O 3.21Å; F166-L335 HydrophobicContact CB-CD2 3.45Å; F166-L335 VanDerWaalsContact CB-CD2 3.45Å; F166-L335 HydrophobicContact CB-CG 3.71Å; F166-L335 HydrophobicContact CD1-CD2 4.49Å; F166-L335 HydrophobicContact CD2-CD1 4.01Å; F166-L335 HydrophobicContact CD2-CD2 4.24Å; F166-L335 HydrophobicContact CD2-CG 3.76Å; F166-L335 HydrophobicContact CE2-CD1 4.46Å; F166-L335 HydrophobicContact CG-CD1 4.36Å; F166-L335 HydrophobicContact CG-CD2 3.82Å; F166-L335 HydrophobicContact CG-CG 3.86Å; L332-L335 HydrophobicContact CD2-CD1 3.8Å; L332-L335 WeakPolarHBondContact O-CB 3.07Å; L332-L335 PolarHBondContact O-N 3.28Å; L332-L335 VanDerWaalsContact O-N 3.13Å; H333-L335 VanDerWaalsContact C-N 3.34Å; H333-L335 PolarHBondContact O-N 2.88Å; L335-A337 PolarHBondContact O-N 3.41Å; L335-G338 PolarHBondContact O-N 3.48Å; L335-F339 WeakPolarHBondContact O-CB 3.37Å; L335-F339 PolarHBondContact O-N 2.79Å
336I97.4Very high94.9Very high88 Ų8846.7 Ų46.745%0.45123%0.23SC..Hα-helixtrans-62.8-47.9-178.3-58.2172.9000110.4T318 L322 H333 G338 F339 L340T318-I336 HydrophobicContact CG2-CG2 4.31Å; L322-I336 HydrophobicContact CD1-CB 3.93Å; L322-I336 HydrophobicContact CD1-CD1 4.23Å; L322-I336 HydrophobicContact CD1-CG2 4.1Å; H333-I336 PolarHBondContact O-N 2.76Å; I336-G338 VanDerWaalsContact C-N 3.34Å; I336-G338 PolarHBondContact O-N 2.78Å; I336-F339 PolarHBondContact O-N 2.86Å; I336-L340 HydrophobicContact CG2-CD1 4.23Å; I336-L340 WeakPolarHBondContact O-CG 3.42Å; I336-L340 PolarHBondContact O-N 2.87Å
337A97.3Very high95Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-62.2-40.5178.500000112.3Y315 T318 S319 H333 L335 A341Y315-A337 HydrophobicContact CD2-CB 3.57Å; Y315-A337 HydrophobicContact CE2-CB 3.75Å; Y315-A337 HydrophobicContact CG-CB 4.38Å; T318-A337 HydrophobicContact CG2-CB 3.9Å; S319-A337 WeakPolarHBondContact OG-CB 3.26Å; H333-A337 WeakPolarHBondContact O-CB 3.43Å; H333-A337 PolarHBondContact O-N 3.21Å; L335-A337 PolarHBondContact O-N 3.41Å; A337-A341 WeakPolarHBondContact O-CB 3.33Å; A337-A341 PolarHBondContact O-N 3.3Å
338G97.6Very high95Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-68.1-39.9177.200000112.7A161 A334 L335 I336 G342A161-G338 WeakPolarHBondContact CB-O 3.48Å; A334-G338 WeakPolarHBondContact O-CA 3.29Å; A334-G338 PolarHBondContact O-N 2.9Å; L335-G338 PolarHBondContact O-N 3.48Å; I336-G338 VanDerWaalsContact C-N 3.34Å; I336-G338 PolarHBondContact O-N 2.78Å; G338-G342 PolarHBondContact O-N 2.83Å
339F98.2Very high95Very high80 Ų8046.4 Ų46.435%0.35122%0.224SC..Hα-helixtrans-61.7-50174.8-171.8-91.7000111.4L155 C158 I159 L335 I336 G342L155-F339 HydrophobicContact CD1-CE2 4.42Å; L155-F339 HydrophobicContact CD1-CZ 4.26Å; C158-F339 HydrophobicContact CB-CD2 3.7Å; C158-F339 HydrophobicContact CB-CE2 3.67Å; C158-F339 HydrophobicContact CB-CG 4.16Å; C158-F339 HydrophobicContact CB-CZ 4.1Å; I159-F339 HydrophobicContact CG1-CE2 4.09Å; L335-F339 WeakPolarHBondContact O-CB 3.37Å; L335-F339 PolarHBondContact O-N 2.79Å; I336-F339 PolarHBondContact O-N 2.86Å; F339-G342 WeakPolarHBondContact O-CA 3.25Å; F339-G342 PolarHBondContact O-N 3.28Å; F339-G342 VanDerWaalsContact O-N 3.12Å
340L98.2Very high95.1Very high75 Ų7545 Ų4539%0.39322%0.219SC..Hα-helixtrans-66-40.4178.4-69.3179.9000112.1I314 T318 I336 G342 V343I314-L340 HydrophobicContact CG2-CB 4.01Å; T318-L340 HydrophobicContact CG2-CD1 3.86Å; I336-L340 HydrophobicContact CG2-CD1 4.23Å; I336-L340 WeakPolarHBondContact O-CG 3.42Å; I336-L340 PolarHBondContact O-N 2.87Å; L340-G342 PolarHBondContact O-N 3.36Å; L340-V343 VanDerWaalsContact O-CB 3.31Å; L340-V343 WeakPolarHBondContact O-CB 3.32Å; L340-V343 WeakPolarHBondContact O-CG2 3.35Å; L340-V343 PolarHBondContact O-N 3.19Å; L340-V343 VanDerWaalsContact O-N 3.13Å
341A97.9Very high94.9Very high0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-60.1-32.3173.200000111.9F311 I314 A337 V343 S344F311-A341 HydrophobicContact CD2-CB 3.81Å; F311-A341 VanDerWaalsContact CD2-O 3.28Å; F311-A341 WeakPolarHBondContact CD2-O 3.11Å; F311-A341 HydrophobicContact CE2-CB 3.79Å; F311-A341 HydrophobicContact CG-CB 4.2Å; F311-A341 HydrophobicContact CZ-CB 4.17Å; F311-A341 WeakPolarHBondContact O-CB 3.26Å; I314-A341 HydrophobicContact CB-CB 4.39Å; I314-A341 HydrophobicContact CG2-CB 4.31Å; A337-A341 WeakPolarHBondContact O-CB 3.33Å; A337-A341 PolarHBondContact O-N 3.3Å; A341-V343 PolarHBondContact O-N 2.65Å; A341-V343 VanDerWaalsContact O-N 3.16Å; A341-S344 VanDerWaalsContact O-CB 3.24Å; A341-S344 WeakPolarHBondContact O-CB 3.43Å; A341-S344 PolarHBondContact O-N 3.09Å; A341-S344 PolarHBondContact O-OG 3.5Å
342G97.3Very high94.6Very high0 Ų045.1 Ų45.10%023%0.228CC..Hα-helixtrans-52.6-31.517400000114.8F157 G338 F339 L340 S344 M345F157-G342 WeakPolarHBondContact CD1-O 2.95Å; G338-G342 PolarHBondContact O-N 2.83Å; F339-G342 WeakPolarHBondContact O-CA 3.25Å; F339-G342 PolarHBondContact O-N 3.28Å; F339-G342 VanDerWaalsContact O-N 3.12Å; L340-G342 PolarHBondContact O-N 3.36Å; G342-S344 PolarHBondContact O-N 3.48Å; G342-S344 VanDerWaalsContact O-N 3.09Å; G342-M345 VanDerWaalsContact O-CB 3.29Å; G342-M345 WeakPolarHBondContact O-CB 3.45Å; G342-M345 PolarHBondContact O-N 3.4Å
343V97.5Very high94.4Very high66 Ų6643.9 Ų43.940%0.422%0.221SC..G310 helixtrans-59.5-25.2178.6179.70000111.5L340 A341 M345 F346L340-V343 VanDerWaalsContact O-CB 3.31Å; L340-V343 WeakPolarHBondContact O-CB 3.32Å; L340-V343 WeakPolarHBondContact O-CG2 3.35Å; L340-V343 PolarHBondContact O-N 3.19Å; L340-V343 VanDerWaalsContact O-N 3.13Å; A341-V343 PolarHBondContact O-N 2.65Å; A341-V343 VanDerWaalsContact O-N 3.16Å; V343-M345 PolarHBondContact O-N 3.18Å; V343-F346 HydrophobicContact CG1-CD2 3.75Å; V343-F346 HydrophobicContact CG1-CE2 4.13Å; V343-F346 WeakPolarHBondContact O-CB 3.2Å; V343-F346 VanDerWaalsContact O-CD2 3.22Å; V343-F346 WeakPolarHBondContact O-CD2 3.39Å; V343-F346 PolarHBondContact O-N 2.92Å
344S97.1Very high94.3Very high1 Ų143.9 Ų43.91%0.00722%0.221CC..G310 helixtrans-54.8-22.417363.30000114F307 F311 A341 G342 F346 F347F307-S344 WeakPolarHBondContact CD2-OG 3.16Å; F311-S344 WeakPolarHBondContact CB-OG 3.39Å; F311-S344 WeakPolarHBondContact CD2-OG 3.25Å; A341-S344 VanDerWaalsContact O-CB 3.24Å; A341-S344 WeakPolarHBondContact O-CB 3.43Å; A341-S344 PolarHBondContact O-N 3.09Å; A341-S344 PolarHBondContact O-OG 3.5Å; G342-S344 PolarHBondContact O-N 3.48Å; G342-S344 VanDerWaalsContact O-N 3.09Å; S344-F346 PolarHBondContact O-N 3.13Å; S344-F347 WeakPolarHBondContact O-CB 3.32Å; S344-F347 VanDerWaalsContact O-CD2 3.3Å; S344-F347 WeakPolarHBondContact O-CD2 3.5Å; S344-F347 PolarHBondContact O-N 3.2Å
345M96.1Very high94Very high0 Ų045.4 Ų45.40%023%0.229CC..G310 helixtrans-60.1-16.2175.8-163.871.5179.300112.8V154 F157 F307 G342 V343 F347 Y348 K349 S350 I353 T354V154-M345 HydrophobicContact CG1-CB 4.18Å; V154-M345 HydrophobicContact CG2-CB 4.23Å; V154-M345 HydrophobicContact CG2-CG 4.29Å; F157-M345 HydrophobicContact CB-CB 4.33Å; F157-M345 HydrophobicContact CB-CG 4.09Å; F157-M345 HydrophobicContact CD1-CB 3.64Å; F157-M345 HydrophobicContact CD1-CG 4.08Å; F157-M345 HydrophobicContact CD1-SD 4.21Å; F157-M345 HydrophobicContact CD2-SD 4.05Å; F157-M345 HydrophobicContact CE1-CB 4.19Å; F157-M345 HydrophobicContact CE1-SD 4.43Å; F157-M345 HydrophobicContact CE2-SD 4.29Å; F157-M345 HydrophobicContact CG-CB 4.09Å; F157-M345 HydrophobicContact CG-CG 4.01Å; F157-M345 HydrophobicContact CG-SD 4.01Å; F157-M345 HydrophobicContact CZ-SD 4.49Å; F307-M345 HydrophobicContact CD2-SD 4.33Å; F307-M345 HydrophobicContact CE2-CB 4.3Å; F307-M345 HydrophobicContact CE2-SD 3.74Å; F307-M345 HydrophobicContact CZ-SD 4Å; G342-M345 VanDerWaalsContact O-CB 3.29Å; G342-M345 WeakPolarHBondContact O-CB 3.45Å; G342-M345 PolarHBondContact O-N 3.4Å; V343-M345 PolarHBondContact O-N 3.18Å; M345-F347 PolarHBondContact O-N 2.9Å; M345-Y348 WeakPolarHBondContact CE-O 3.12Å; M345-Y348 CarbonylContact O-C 3.55Å; M345-Y348 PolarHBondContact O-N 3.46Å; M345-K349 WeakPolarHBondContact O-CG 3.46Å; M345-K349 PolarHBondContact O-N 3.16Å; M345-S350 VanDerWaalsContact CE-O 3.3Å; M345-S350 WeakPolarHBondContact CE-O 3.47Å; M345-I353 HydrophobicContact CE-CB 4.24Å; M345-I353 HydrophobicContact CE-CG2 4.38Å; M345-T354 WeakPolarHBondContact CE-OG1 3.49Å
346F96Very high93.6Very high96 Ų9647.2 Ų47.242%0.42123%0.233SC..G310 helixtrans-58.7-30168.6-83.7-71.3000113.3H151 V154 V343 S344 K349H151-F346 HydrophobicContact CB-CE1 4.01Å; H151-F346 HydrophobicContact CB-CZ 4.19Å; H151-F346 AromaticContact CD2-CE1 3.64Å; H151-F346 AromaticContact CG-CE1 3.7Å; V154-F346 HydrophobicContact CB-CE2 4.39Å; V154-F346 HydrophobicContact CB-CZ 4.37Å; V154-F346 HydrophobicContact CG1-CD2 3.8Å; V154-F346 HydrophobicContact CG1-CE2 3.6Å; V154-F346 HydrophobicContact CG1-CG 4.41Å; V154-F346 HydrophobicContact CG1-CZ 4.07Å; V154-F346 HydrophobicContact CG2-CD1 4.28Å; V154-F346 HydrophobicContact CG2-CE1 4.26Å; V154-F346 HydrophobicContact CG2-CG 4.4Å; V154-F346 HydrophobicContact CG2-CZ 4.39Å; V343-F346 HydrophobicContact CG1-CD2 3.75Å; V343-F346 HydrophobicContact CG1-CE2 4.13Å; V343-F346 WeakPolarHBondContact O-CB 3.2Å; V343-F346 VanDerWaalsContact O-CD2 3.22Å; V343-F346 WeakPolarHBondContact O-CD2 3.39Å; V343-F346 PolarHBondContact O-N 2.92Å; S344-F346 PolarHBondContact O-N 3.13Å; F346-K349 VanDerWaalsContact CD1-CE 3.41Å
347F94Very high93.4Very high104 Ų10445.5 Ų45.546%0.45622%0.224SC..THydrogen-bonded Turntrans-72.2-33176.7-66-63.5000112.7Q303 A306 F307 S310 S344 M345Q303-F347 VanDerWaalsContact CB-O 3.31Å; Q303-F347 WeakPolarHBondContact CB-O 3.46Å; Q303-F347 WeakPolarHBondContact CG-O 3.46Å; A306-F347 HydrophobicContact CB-CB 4.03Å; A306-F347 HydrophobicContact CB-CD1 4.03Å; A306-F347 HydrophobicContact CB-CD2 4.33Å; A306-F347 HydrophobicContact CB-CG 3.88Å; F307-F347 HydrophobicContact CB-CB 4.22Å; S310-F347 VanDerWaalsContact OG-CE2 3.32Å; S310-F347 WeakPolarHBondContact OG-CE2 3.43Å; S344-F347 WeakPolarHBondContact O-CB 3.32Å; S344-F347 VanDerWaalsContact O-CD2 3.3Å; S344-F347 WeakPolarHBondContact O-CD2 3.5Å; S344-F347 PolarHBondContact O-N 3.2Å; M345-F347 PolarHBondContact O-N 2.9Å
348Y91.6Very high93.2Very high63 Ų6348.8 Ų48.825%0.24724%0.238CC..SBendtrans-137.372.5-177.7-166.1-102.6000111.5Q303 L304 M345 S350 I353Q303-Y348 HydrophobicContact CB-CD2 3.71Å; L304-Y348 HydrophobicContact CB-CD2 4.48Å; L304-Y348 HydrophobicContact CD1-CD1 4.25Å; L304-Y348 HydrophobicContact CD1-CE1 4.34Å; M345-Y348 WeakPolarHBondContact CE-O 3.12Å; M345-Y348 CarbonylContact O-C 3.55Å; M345-Y348 PolarHBondContact O-N 3.46Å; Y348-S350 PolarHBondContact O-N 2.89Å; Y348-I353 HydrophobicContact CD1-CD1 4.13Å; Y348-I353 HydrophobicContact CE1-CD1 3.66Å
349K91.4Very high92.8Very high97 Ų9750.1 Ų50.142%0.42225%0.248SC..  trans-66.7115.8-178.4-62.8-179.8-173.9179.30110.7H151 V154 M345 F346H151-K349 PolarHBondContact CE1-NZ 3.42Å; H151-K349 PolarHBondContact ND1-NZ 2.83Å; V154-K349 HydrophobicContact CG2-CG 4.35Å; M345-K349 WeakPolarHBondContact O-CG 3.46Å; M345-K349 PolarHBondContact O-N 3.16Å; F346-K349 VanDerWaalsContact CD1-CE 3.41Å
350S88.7Confident92.4Very high27 Ų2748.8 Ų48.819%0.18924%0.242CC..  trans-147.6102.3178.8179.50000111.4M345 Y348 S352 I353 T354M345-S350 VanDerWaalsContact CE-O 3.3Å; M345-S350 WeakPolarHBondContact CE-O 3.47Å; Y348-S350 PolarHBondContact O-N 2.89Å; S350-S352 PolarHBondContact O-N 3.4Å; S350-I353 PolarHBondContact O-N 3.3Å; S350-I353 VanDerWaalsContact O-N 3.14Å; S350-I353 PolarHBondContact OG-N 3Å; S350-T354 PolarHBondContact O-N 3.19Å; S350-T354 PolarHBondContact O-OG1 2.92Å
351T87.1Confident92.1Very high67 Ų6745.4 Ų45.441%0.41122%0.224SC..Hα-helixtrans-55.5-35.5174.2-45.70000111.7M355T351-M355 HydrophobicContact CG2-CG 4.08Å; T351-M355 VanDerWaalsContact O-CB 3.27Å; T351-M355 WeakPolarHBondContact O-CB 3.49Å; T351-M355 WeakPolarHBondContact O-CG 3.27Å; T351-M355 PolarHBondContact O-N 3.43Å
352S85Confident91.8Very high46 Ų4649 Ų4932%0.32225%0.246SC..Hα-helixtrans-64.9-41.4179.3-63.30000112.6S350 Y356 R405S350-S352 PolarHBondContact O-N 3.4Å; S352-Y356 VanDerWaalsContact O-CB 3.3Å; S352-Y356 WeakPolarHBondContact O-CB 3.3Å; S352-Y356 PolarHBondContact O-N 2.84Å; S352-Y356 VanDerWaalsContact O-N 3.08Å; S352-R405 PolarHBondContact OG-NH1 3.47Å; S352-R405 PolarHBondContact OG-NH2 3.05Å
353I88.9Confident91.4Very high58 Ų5852 Ų5230%0.29726%0.26SS..Hα-helixtrans-71-46.8178.2-67.2174.1000110M345 Y348 S350 M355 Y356 L357M345-I353 HydrophobicContact CE-CB 4.24Å; M345-I353 HydrophobicContact CE-CG2 4.38Å; Y348-I353 HydrophobicContact CD1-CD1 4.13Å; Y348-I353 HydrophobicContact CE1-CD1 3.66Å; S350-I353 PolarHBondContact O-N 3.3Å; S350-I353 VanDerWaalsContact O-N 3.14Å; S350-I353 PolarHBondContact OG-N 3Å; I353-M355 PolarHBondContact O-N 3.5Å; I353-Y356 PolarHBondContact O-N 2.98Å; I353-L357 HydrophobicContact CG2-CD1 3.81Å; I353-L357 HydrophobicContact CG2-CG 4.38Å; I353-L357 WeakPolarHBondContact O-CG 3.5Å; I353-L357 PolarHBondContact O-N 3.48Å
354T92.1Very high91.1Very high1 Ų150.5 Ų50.51%0.00625%0.251CS..Hα-helixtrans-56.1-51.4177.6-60.60000111.3E153 L156 F157 M345 S350 Y356 L357 F358E153-T354 WeakPolarHBondContact O-CG2 3.31Å; E153-T354 PolarHBondContact O-OG1 3.09Å; L156-T354 HydrophobicContact CB-CG2 3.72Å; L156-T354 HydrophobicContact CD2-CG2 3.72Å; L156-T354 HydrophobicContact CG-CG2 3.65Å; F157-T354 HydrophobicContact CB-CG2 3.97Å; M345-T354 WeakPolarHBondContact CE-OG1 3.49Å; S350-T354 PolarHBondContact O-N 3.19Å; S350-T354 PolarHBondContact O-OG1 2.92Å; T354-Y356 VanDerWaalsContact C-N 3.33Å; T354-Y356 PolarHBondContact O-N 2.98Å; T354-L357 PolarHBondContact O-N 3.47Å; T354-F358 WeakPolarHBondContact O-CB 3.22Å; T354-F358 PolarHBondContact O-N 3.08Å
355M88.9Confident90.8Very high33 Ų3354.8 Ų54.816%0.16327%0.272CS..Hα-helixtrans-63.6-39.4-179.4-72.6-62.1-65.600111.9L156 T351 I353 F358 S359L156-M355 HydrophobicContact CD2-SD 3.76Å; T351-M355 HydrophobicContact CG2-CG 4.08Å; T351-M355 VanDerWaalsContact O-CB 3.27Å; T351-M355 WeakPolarHBondContact O-CB 3.49Å; T351-M355 WeakPolarHBondContact O-CG 3.27Å; T351-M355 PolarHBondContact O-N 3.43Å; I353-M355 PolarHBondContact O-N 3.5Å; M355-F358 PolarHBondContact O-N 3.32Å; M355-S359 WeakPolarHBondContact O-CB 3.47Å; M355-S359 PolarHBondContact O-N 2.92Å; M355-S359 PolarHBondContact O-OG 3.4Å; M355-S359 VanDerWaalsContact O-OG 3.1Å
356Y88.1Confident90.6Very high90 Ų9057.7 Ų57.735%0.35328%0.283SS..Hα-helixtrans-61.7-48.7176.1174.3-98.1000112.2I126 S352 I353 T354 S359 K360I126-Y356 HydrophobicContact CG2-CD2 4.08Å; I126-Y356 HydrophobicContact CG2-CE2 4.18Å; S352-Y356 VanDerWaalsContact O-CB 3.3Å; S352-Y356 WeakPolarHBondContact O-CB 3.3Å; S352-Y356 PolarHBondContact O-N 2.84Å; S352-Y356 VanDerWaalsContact O-N 3.08Å; I353-Y356 PolarHBondContact O-N 2.98Å; T354-Y356 VanDerWaalsContact C-N 3.33Å; T354-Y356 PolarHBondContact O-N 2.98Å; Y356-S359 PolarHBondContact O-N 3.48Å; Y356-K360 HydrophobicContact CD1-CG 4.49Å; Y356-K360 HydrophobicContact CE1-CG 3.96Å; Y356-K360 HydrophobicContact CE2-CG 4.14Å; Y356-K360 PolarHBondContact O-N 2.93Å
357L92.2Very high90.3Very high51 Ų5157.5 Ų57.527%0.26728%0.283SS..Hα-helixtrans-65.3-41.6179.3-69.8173.2000111.3F157 T160 F164 I353 T354 S359 K360 L361F157-L357 HydrophobicContact CD2-CD1 4.08Å; F157-L357 HydrophobicContact CE2-CD1 3.54Å; T160-L357 HydrophobicContact CG2-CB 3.99Å; F164-L357 HydrophobicContact CE2-CB 4.25Å; F164-L357 VanDerWaalsContact CE2-O 3.27Å; F164-L357 WeakPolarHBondContact CE2-O 3.37Å; I353-L357 HydrophobicContact CG2-CD1 3.81Å; I353-L357 HydrophobicContact CG2-CG 4.38Å; I353-L357 WeakPolarHBondContact O-CG 3.5Å; I353-L357 PolarHBondContact O-N 3.48Å; T354-L357 PolarHBondContact O-N 3.47Å; L357-S359 PolarHBondContact O-N 3.26Å; L357-K360 PolarHBondContact O-N 2.8Å; L357-L361 PolarHBondContact O-N 3.32Å
358F93.3Very high90Very high69 Ų6955 Ų5530%0.30327%0.272SS..Hα-helixtrans-59.9-47.1175.6177.1-106.2000111.5L156 T160 T354 M355 K360 L361 V362L156-F358 HydrophobicContact CD1-CB 4.49Å; L156-F358 HydrophobicContact CD1-CD1 4.49Å; L156-F358 HydrophobicContact CD1-CD2 3.61Å; L156-F358 HydrophobicContact CD1-CE2 3.87Å; L156-F358 HydrophobicContact CD1-CG 3.94Å; L156-F358 HydrophobicContact CD1-CZ 4.42Å; L156-F358 HydrophobicContact CD2-CB 4.41Å; L156-F358 HydrophobicContact CD2-CG 4.38Å; L156-F358 HydrophobicContact CG-CB 4.4Å; L156-F358 HydrophobicContact CG-CD2 4.37Å; L156-F358 HydrophobicContact CG-CG 4.33Å; T160-F358 HydrophobicContact CG2-CB 4.48Å; T354-F358 WeakPolarHBondContact O-CB 3.22Å; T354-F358 PolarHBondContact O-N 3.08Å; M355-F358 PolarHBondContact O-N 3.32Å; F358-K360 VanDerWaalsContact C-N 3.3Å; F358-K360 PolarHBondContact O-N 2.89Å; F358-L361 WeakPolarHBondContact O-CA 3.47Å; F358-L361 VanDerWaalsContact O-CB 3.31Å; F358-L361 WeakPolarHBondContact O-CB 3.22Å; F358-L361 PolarHBondContact O-N 3.05Å; F358-V362 HydrophobicContact CD1-CG2 4.37Å; F358-V362 HydrophobicContact CE1-CG2 3.93Å; F358-V362 HydrophobicContact CE2-CG2 4.23Å; F358-V362 HydrophobicContact CZ-CG2 3.86Å; F358-V362 WeakPolarHBondContact O-CG2 3.34Å; F358-V362 PolarHBondContact O-N 3.48Å
359S89.8Confident90Very high28 Ų2852.4 Ų52.420%0.19626%0.264CS..Hα-helixtrans-64.9-34.6177-65.50000112.7N130 M355 Y356 L357 L361 V362 E363N130-S359 VanDerWaalsContact OD1-CB 3.27Å; N130-S359 WeakPolarHBondContact OD1-CB 2.97Å; N130-S359 PolarHBondContact OD1-OG 3.24Å; M355-S359 WeakPolarHBondContact O-CB 3.47Å; M355-S359 PolarHBondContact O-N 2.92Å; M355-S359 PolarHBondContact O-OG 3.4Å; M355-S359 VanDerWaalsContact O-OG 3.1Å; Y356-S359 PolarHBondContact O-N 3.48Å; L357-S359 PolarHBondContact O-N 3.26Å; S359-L361 VanDerWaalsContact C-N 3.32Å; S359-V362 PolarHBondContact O-N 3.45Å; S359-E363 WeakPolarHBondContact O-CB 3.35Å; S359-E363 PolarHBondContact O-N 3.41Å
360K88.9Confident90.1Very high52 Ų5249.7 Ų49.723%0.22625%0.253CS..Hα-helixtrans-66.3-33.7171-79.7-51.9-164.5179.40113I126 F164 Y356 L357 F358 E363 T364I126-K360 HydrophobicContact CD1-CD 4.15Å; F164-K360 HydrophobicContact CZ-CB 4.17Å; Y356-K360 HydrophobicContact CD1-CG 4.49Å; Y356-K360 HydrophobicContact CE1-CG 3.96Å; Y356-K360 HydrophobicContact CE2-CG 4.14Å; Y356-K360 PolarHBondContact O-N 2.93Å; L357-K360 PolarHBondContact O-N 2.8Å; F358-K360 VanDerWaalsContact C-N 3.3Å; F358-K360 PolarHBondContact O-N 2.89Å; K360-E363 WeakPolarHBondContact CD-OE2 3.44Å; K360-E363 WeakPolarHBondContact CE-OE2 3.48Å; K360-E363 VanDerWaalsContact NZ-CD 3.31Å; K360-E363 IonicContact NZ-OE1 3.51Å; K360-E363 PolarHBondContact NZ-OE1 2.98Å; K360-E363 IonicContact NZ-OE2 3.65Å; K360-E363 PolarHBondContact NZ-OE2 2.79Å; K360-T364 WeakPolarHBondContact O-CB 3.5Å; K360-T364 PolarHBondContact O-N 3.24Å; K360-T364 PolarHBondContact O-OG1 2.95Å
361L93.1Very high90.2Very high5 Ų554.3 Ų54.33%0.02627%0.272CS..Hα-helixtrans-66.4-47.4173.1175.263.7000110.4T160 I163 F164 L167 L357 F358 S359 E363 T364 M365T160-L361 HydrophobicContact CG2-CB 4.24Å; T160-L361 HydrophobicContact CG2-CD2 4.11Å; I163-L361 HydrophobicContact CB-CD1 4.08Å; I163-L361 HydrophobicContact CB-CD2 3.8Å; I163-L361 HydrophobicContact CD1-CD2 3.88Å; I163-L361 HydrophobicContact CG1-CD2 4.39Å; I163-L361 HydrophobicContact CG2-CD1 3.63Å; I163-L361 HydrophobicContact CG2-CD2 4.11Å; I163-L361 HydrophobicContact CG2-CG 4.4Å; F164-L361 HydrophobicContact CD1-CD1 4.12Å; F164-L361 HydrophobicContact CD2-CB 4.42Å; F164-L361 HydrophobicContact CE1-CB 4.21Å; F164-L361 HydrophobicContact CE1-CD1 4.11Å; F164-L361 HydrophobicContact CE2-CB 3.79Å; F164-L361 HydrophobicContact CG-CD1 4.39Å; F164-L361 HydrophobicContact CZ-CB 3.67Å; F164-L361 HydrophobicContact CZ-CD1 4.39Å; L167-L361 HydrophobicContact CD1-CD1 3.92Å; L357-L361 PolarHBondContact O-N 3.32Å; F358-L361 WeakPolarHBondContact O-CA 3.47Å; F358-L361 VanDerWaalsContact O-CB 3.31Å; F358-L361 WeakPolarHBondContact O-CB 3.22Å; F358-L361 PolarHBondContact O-N 3.05Å; S359-L361 VanDerWaalsContact C-N 3.32Å; L361-E363 VanDerWaalsContact C-N 3.34Å; L361-E363 PolarHBondContact O-N 2.84Å; L361-T364 WeakPolarHBondContact O-CB 3.03Å; L361-T364 PolarHBondContact O-N 3.46Å; L361-T364 VanDerWaalsContact O-N 3.15Å; L361-M365 HydrophobicContact CD1-CG 4.08Å; L361-M365 HydrophobicContact CG-CG 4.36Å; L361-M365 WeakPolarHBondContact O-CB 3.29Å; L361-M365 VanDerWaalsContact O-CG 3.29Å; L361-M365 WeakPolarHBondContact O-CG 3.06Å; L361-M365 PolarHBondContact O-N 2.9Å
362V91.6Very high90.4Very high75 Ų7554.2 Ų54.246%0.45528%0.278SS..Hα-helixtrans-58-45.7176.3173.70000111.2F358 S359 T364 M365 Y366F358-V362 HydrophobicContact CD1-CG2 4.37Å; F358-V362 HydrophobicContact CE1-CG2 3.93Å; F358-V362 HydrophobicContact CE2-CG2 4.23Å; F358-V362 HydrophobicContact CZ-CG2 3.86Å; F358-V362 WeakPolarHBondContact O-CG2 3.34Å; F358-V362 PolarHBondContact O-N 3.48Å; S359-V362 PolarHBondContact O-N 3.45Å; V362-T364 PolarHBondContact O-N 2.85Å; V362-M365 PolarHBondContact O-N 3.35Å; V362-Y366 WeakPolarHBondContact O-CB 3.23Å; V362-Y366 PolarHBondContact O-N 2.93Å
363E88.9Confident90.7Very high63 Ų6355.4 Ų55.429%0.29430%0.298SS..Hα-helixtrans-57.6-46.6174.5-177.5-175.8164.300111.6I126 S359 K360 L361 M365 Y366 F367I126-E363 VanDerWaalsContact CD1-OE2 3.23Å; I126-E363 WeakPolarHBondContact CD1-OE2 3.5Å; S359-E363 WeakPolarHBondContact O-CB 3.35Å; S359-E363 PolarHBondContact O-N 3.41Å; K360-E363 WeakPolarHBondContact CD-OE2 3.44Å; K360-E363 WeakPolarHBondContact CE-OE2 3.48Å; K360-E363 VanDerWaalsContact NZ-CD 3.31Å; K360-E363 IonicContact NZ-OE1 3.51Å; K360-E363 PolarHBondContact NZ-OE1 2.98Å; K360-E363 IonicContact NZ-OE2 3.65Å; K360-E363 PolarHBondContact NZ-OE2 2.79Å; L361-E363 VanDerWaalsContact C-N 3.34Å; L361-E363 PolarHBondContact O-N 2.84Å; E363-M365 PolarHBondContact O-N 3.32Å; E363-Y366 PolarHBondContact O-N 2.7Å; E363-F367 HydrophobicContact CG-CD2 3.89Å; E363-F367 HydrophobicContact CG-CE2 3.68Å; E363-F367 VanDerWaalsContact O-CD2 3.22Å; E363-F367 WeakPolarHBondContact O-CD2 3.48Å; E363-F367 PolarHBondContact O-N 3.42Å
364T89.7Confident91Very high35 Ų3562.4 Ų62.422%0.21532%0.32CS..Hα-helixtrans-61.9-45.4178.3-57.50000111.5L167 L174 K360 L361 V362 Y366 F367 K368L167-T364 HydrophobicContact CD1-CG2 4.3Å; L174-T364 HydrophobicContact CD2-CG2 3.84Å; K360-T364 WeakPolarHBondContact O-CB 3.5Å; K360-T364 PolarHBondContact O-N 3.24Å; K360-T364 PolarHBondContact O-OG1 2.95Å; L361-T364 WeakPolarHBondContact O-CB 3.03Å; L361-T364 PolarHBondContact O-N 3.46Å; L361-T364 VanDerWaalsContact O-N 3.15Å; V362-T364 PolarHBondContact O-N 2.85Å; T364-Y366 VanDerWaalsContact C-N 3.35Å; T364-F367 PolarHBondContact O-N 2.92Å; T364-K368 WeakPolarHBondContact O-CB 3.41Å; T364-K368 WeakPolarHBondContact O-CG 3.36Å; T364-K368 PolarHBondContact O-N 2.9Å
365M91.9Very high91Very high91 Ų9167.3 Ų67.345%0.44834%0.342SS..Hα-helixtrans-64.7-38.7178.6-70.8-62.3-66.800111.9I163 L167 L361 V362 E363 K368 G369I163-M365 HydrophobicContact CG2-SD 4.46Å; L167-M365 HydrophobicContact CD1-SD 3.98Å; L361-M365 HydrophobicContact CD1-CG 4.08Å; L361-M365 HydrophobicContact CG-CG 4.36Å; L361-M365 WeakPolarHBondContact O-CB 3.29Å; L361-M365 VanDerWaalsContact O-CG 3.29Å; L361-M365 WeakPolarHBondContact O-CG 3.06Å; L361-M365 PolarHBondContact O-N 2.9Å; V362-M365 PolarHBondContact O-N 3.35Å; E363-M365 PolarHBondContact O-N 3.32Å; M365-K368 PolarHBondContact O-N 3.33Å; M365-G369 PolarHBondContact O-N 3.32Å
366Y90.5Very high91.2Very high60 Ų6069.5 Ų69.524%0.23536%0.359CS..Hα-helixtrans-62.5-51.4176174.8-115000111.4V362 E363 T364 K368 G369 I370 F375 P376 F378V362-Y366 WeakPolarHBondContact O-CB 3.23Å; V362-Y366 PolarHBondContact O-N 2.93Å; E363-Y366 PolarHBondContact O-N 2.7Å; T364-Y366 VanDerWaalsContact C-N 3.35Å; Y366-K368 VanDerWaalsContact C-N 3.33Å; Y366-K368 PolarHBondContact O-N 2.91Å; Y366-G369 PolarHBondContact O-N 2.86Å; Y366-G369 VanDerWaalsContact O-N 3.08Å; Y366-I370 HydrophobicContact CD1-CD1 4.1Å; Y366-I370 HydrophobicContact CE1-CD1 3.59Å; Y366-I370 HydrophobicContact CE2-CD1 4.15Å; Y366-I370 HydrophobicContact CE2-CG1 4.31Å; Y366-I370 WeakPolarHBondContact O-CG1 3.24Å; Y366-I370 PolarHBondContact O-N 3.1Å; Y366-F375 HydrophobicContact CD2-CB 4.29Å; Y366-F375 HydrophobicContact CD2-CD2 4.19Å; Y366-F375 HydrophobicContact CD2-CG 4.37Å; Y366-F375 HydrophobicContact CE2-CB 4.03Å; Y366-P376 PolarHBondContact OH-O 3.37Å; Y366-F378 WeakPolarHBondContact OH-CD2 3.43Å; Y366-F378 PolarHBondContact OH-N 2.99Å
367F89.8Confident91.2Very high92 Ų9272.6 Ų72.640%0.40437%0.37SS..Hα-helixtrans-63.3-37.5178.2-76.7-63.7000112.7E363 T364 G369 I370 E371 Y377E363-F367 HydrophobicContact CG-CD2 3.89Å; E363-F367 HydrophobicContact CG-CE2 3.68Å; E363-F367 VanDerWaalsContact O-CD2 3.22Å; E363-F367 WeakPolarHBondContact O-CD2 3.48Å; E363-F367 PolarHBondContact O-N 3.42Å; T364-F367 PolarHBondContact O-N 2.92Å; F367-G369 VanDerWaalsContact C-N 3.33Å; F367-G369 PolarHBondContact O-N 3.14Å; F367-I370 HydrophobicContact CD1-CD1 4.03Å; F367-I370 HydrophobicContact CE1-CD1 4.42Å; F367-I370 WeakPolarHBondContact O-CB 3.38Å; F367-I370 PolarHBondContact O-N 2.91Å; F367-E371 WeakPolarHBondContact O-CG 3.31Å; F367-E371 PolarHBondContact O-N 3.23Å; F367-Y377 HydrophobicContact CE1-CE2 4.42Å
368K89.5Confident91.1Very high52 Ų5275.9 Ų75.923%0.22638%0.383CS..Hα-helixtrans-62-39.6171.4-82.4-168.1163.4-67.30113.1L167 D172 G173 T364 M365 Y366 I370 E371 A372L167-K368 HydrophobicContact CD2-CD 4.28Å; D172-K368 PolarHBondContact O-NZ 2.81Å; G173-K368 VanDerWaalsContact C-CE 3.43Å; G173-K368 WeakPolarHBondContact O-CE 3.39Å; T364-K368 WeakPolarHBondContact O-CB 3.41Å; T364-K368 WeakPolarHBondContact O-CG 3.36Å; T364-K368 PolarHBondContact O-N 2.9Å; M365-K368 PolarHBondContact O-N 3.33Å; Y366-K368 VanDerWaalsContact C-N 3.33Å; Y366-K368 PolarHBondContact O-N 2.91Å; K368-I370 VanDerWaalsContact C-N 3.28Å; K368-I370 PolarHBondContact O-N 3.28Å; K368-E371 PolarHBondContact O-N 3.36Å; K368-A372 WeakPolarHBondContact O-CB 3.37Å; K368-A372 PolarHBondContact O-N 3.06Å
369G91.6Very high90.8Very high8 Ų876.5 Ų76.58%0.08239%0.394CS..Hα-helixtrans-68.5-28.4175.800000112.8M365 Y366 F367 G373 R374 F375M365-G369 PolarHBondContact O-N 3.32Å; Y366-G369 PolarHBondContact O-N 2.86Å; Y366-G369 VanDerWaalsContact O-N 3.08Å; F367-G369 VanDerWaalsContact C-N 3.33Å; F367-G369 PolarHBondContact O-N 3.14Å; G369-G373 PolarHBondContact O-N 3.02Å; G369-R374 WeakPolarHBondContact O-CA 3.44Å; G369-R374 PolarHBondContact O-N 2.9Å; G369-F375 PolarHBondContact O-N 3.43Å; G369-F375 VanDerWaalsContact O-N 3.15Å
370I91.8Very high90.7Very high40 Ų4080.6 Ų80.621%0.20541%0.41CS..Hα-helixtrans-67.8-48.8168.6-62.8171.6000110.6Y366 F367 K368 A372 G373 F375 Y377Y366-I370 HydrophobicContact CD1-CD1 4.1Å; Y366-I370 HydrophobicContact CE1-CD1 3.59Å; Y366-I370 HydrophobicContact CE2-CD1 4.15Å; Y366-I370 HydrophobicContact CE2-CG1 4.31Å; Y366-I370 WeakPolarHBondContact O-CG1 3.24Å; Y366-I370 PolarHBondContact O-N 3.1Å; F367-I370 HydrophobicContact CD1-CD1 4.03Å; F367-I370 HydrophobicContact CE1-CD1 4.42Å; F367-I370 WeakPolarHBondContact O-CB 3.38Å; F367-I370 PolarHBondContact O-N 2.91Å; K368-I370 VanDerWaalsContact C-N 3.28Å; K368-I370 PolarHBondContact O-N 3.28Å; I370-A372 PolarHBondContact O-N 3.29Å; I370-G373 PolarHBondContact O-N 3.38Å; I370-F375 HydrophobicContact CG1-CB 4.08Å; I370-Y377 HydrophobicContact CD1-CD2 4.01Å
371E90.7Very high90.7Very high124 Ų12479.4 Ų79.458%0.57941%0.41SS*.Hα-helixtrans-56.8-35.7176.6-71.5179.4168.800111.4K175 F367 K368 G373K175-E371 IonicContact NZ-OE1 3.66Å; K175-E371 PolarHBondContact NZ-OE1 3Å; K175-E371 IonicContact NZ-OE2 2.88Å; F367-E371 WeakPolarHBondContact O-CG 3.31Å; F367-E371 PolarHBondContact O-N 3.23Å; K368-E371 PolarHBondContact O-N 3.36Å; E371-G373 VanDerWaalsContact C-N 3.26Å; E371-G373 PolarHBondContact O-N 3.19Å
372A91.3Very high90.6Very high66 Ų6681.6 Ų81.655%0.54542%0.421SS..THydrogen-bonded Turntrans-80.93.6175.900000114.5K368 I370 R374K368-A372 WeakPolarHBondContact O-CB 3.37Å; K368-A372 PolarHBondContact O-N 3.06Å; I370-A372 PolarHBondContact O-N 3.29Å; A372-R374 HydrophobicContact CB-CG 4.28Å; A372-R374 PolarHBondContact O-N 3.13Å
373G92.8Very high90.8Very high70 Ų7078 Ų7872%0.72240%0.4SS*.THydrogen-bonded Turntrans68.813.9-179.400000115.3G369 I370 E371G369-G373 PolarHBondContact O-N 3.02Å; I370-G373 PolarHBondContact O-N 3.38Å; E371-G373 VanDerWaalsContact C-N 3.26Å; E371-G373 PolarHBondContact O-N 3.19Å
374R94.4Very high91.1Very high205 Ų20579 Ų7977%0.77441%0.406SS*.SBendtrans-91.3-25.5-177.1-62.6-172.7-179.9-169.7-0.4113.9G369 A372G369-R374 WeakPolarHBondContact O-CA 3.44Å; G369-R374 PolarHBondContact O-N 2.9Å; A372-R374 HydrophobicContact CB-CG 4.28Å; A372-R374 PolarHBondContact O-N 3.13Å
375F92.1Very high91.4Very high105 Ų10581 Ų8146%0.46142%0.415SS..SBendtrans-122.6143179.2-62.2-51.2000111.6Y366 G369 I370Y366-F375 HydrophobicContact CD2-CB 4.29Å; Y366-F375 HydrophobicContact CD2-CD2 4.19Å; Y366-F375 HydrophobicContact CD2-CG 4.37Å; Y366-F375 HydrophobicContact CE2-CB 4.03Å; G369-F375 PolarHBondContact O-N 3.43Å; G369-F375 VanDerWaalsContact O-N 3.15Å; I370-F375 HydrophobicContact CG1-CB 4.08Å
376P92.6Very high91.6Very high79 Ų7977.1 Ų77.151%0.51340%0.395SS..  trans-72.1144.1171.430-34.3000110.9Y366 F378Y366-P376 PolarHBondContact OH-O 3.37Å; P376-F378 HydrophobicContact CB-CE2 4.46Å; P376-F378 HydrophobicContact CB-CZ 4.27Å; P376-F378 HydrophobicContact CG-CE1 4.26Å; P376-F378 HydrophobicContact CG-CE2 3.65Å; P376-F378 HydrophobicContact CG-CZ 3.49Å; P376-F378 VanDerWaalsContact CG-CZ 3.49Å
377Y89.8Confident91.9Very high154 Ų15474.4 Ų74.460%0.60439%0.385SS*.  trans-80.5123.3167.2177.3-100.2000109.5F367 I370 P379F367-Y377 HydrophobicContact CE1-CE2 4.42Å; I370-Y377 HydrophobicContact CD1-CD2 4.01Å; Y377-P379 HydrophobicContact CD1-CG 4.4Å; Y377-P379 HydrophobicContact CE1-CG 4.32Å; Y377-P379 WeakPolarHBondContact O-CD 3.38Å
378F88.3Confident92.3Very high120 Ų12073.3 Ų73.353%0.52638%0.383SS..  trans-99.4110.8176.4-67-72.5000110.7Y366 P376 H380 A381Y366-F378 WeakPolarHBondContact OH-CD2 3.43Å; Y366-F378 PolarHBondContact OH-N 2.99Å; P376-F378 HydrophobicContact CB-CE2 4.46Å; P376-F378 HydrophobicContact CB-CZ 4.27Å; P376-F378 HydrophobicContact CG-CE1 4.26Å; P376-F378 HydrophobicContact CG-CE2 3.65Å; P376-F378 HydrophobicContact CG-CZ 3.49Å; P376-F378 VanDerWaalsContact CG-CZ 3.49Å; F378-H380 PolarHBondContact O-N 3.41Å; F378-A381 HydrophobicContact CB-CB 4.03Å; F378-A381 WeakPolarHBondContact O-CB 3.45Å; F378-A381 PolarHBondContact O-N 3.33Å
379P87.3Confident92.7Very high82 Ų8271.3 Ų71.353%0.53238%0.375SS..THydrogen-bonded Turntrans-57.4138.4172.1-21.833.3000110.6Y377 A381Y377-P379 HydrophobicContact CD1-CG 4.4Å; Y377-P379 HydrophobicContact CE1-CG 4.32Å; Y377-P379 WeakPolarHBondContact O-CD 3.38Å; P379-A381 PolarHBondContact O-N 3.11Å; P379-A381 VanDerWaalsContact O-N 3.16Å
380H87.6Confident93Very high115 Ų11571 Ų7153%0.53237%0.371SS..THydrogen-bonded Turntrans60.820.8177.6-49.6-64.5000115.5F378 D382 T383 I384F378-H380 PolarHBondContact O-N 3.41Å; H380-D382 PolarHBondContact O-N 3.16Å; H380-T383 WeakPolarHBondContact O-CB 3.33Å; H380-T383 PolarHBondContact O-N 3.37Å; H380-I384 PolarHBondContact O-N 3.2Å; H380-I384 VanDerWaalsContact O-N 3.16Å
381A90.1Very high93.3Very high27 Ų2769 Ų6922%0.22336%0.362CS..Hα-helixtrans-54.4-36.6174.400000112.3F378 P379 T383 I384 I385F378-A381 HydrophobicContact CB-CB 4.03Å; F378-A381 WeakPolarHBondContact O-CB 3.45Å; F378-A381 PolarHBondContact O-N 3.33Å; P379-A381 PolarHBondContact O-N 3.11Å; P379-A381 VanDerWaalsContact O-N 3.16Å; A381-T383 VanDerWaalsContact C-N 3.27Å; A381-T383 PolarHBondContact O-N 3.36Å; A381-I384 PolarHBondContact O-N 3.21Å; A381-I385 HydrophobicContact CB-CD1 4.37Å; A381-I385 VanDerWaalsContact O-CB 3.32Å; A381-I385 WeakPolarHBondContact O-CB 3.3Å; A381-I385 WeakPolarHBondContact O-CD1 3.34Å; A381-I385 WeakPolarHBondContact O-CG1 3.46Å; A381-I385 PolarHBondContact O-N 2.94Å
382D90.8Very high93.7Very high50 Ų5064.5 Ų64.527%0.26734%0.341SS..Hα-helixtrans-56.3-41.5176.367.8-27.1000112.7R121 T125 H380 Y386R121-D382 VanDerWaalsContact CB-OD2 3.27Å; R121-D382 WeakPolarHBondContact CB-OD2 3.26Å; T125-D382 WeakPolarHBondContact CG2-O 3.16Å; T125-D382 PolarHBondContact OG1-O 3.24Å; H380-D382 PolarHBondContact O-N 3.16Å; D382-Y386 VanDerWaalsContact O-CB 3.26Å; D382-Y386 WeakPolarHBondContact O-CB 3.43Å; D382-Y386 PolarHBondContact O-N 3.42Å
383T94.6Very high94Very high1 Ų161.3 Ų61.31%0.00632%0.315CS..Hα-helixtrans-71.6-45.6-179-62.30000111Y110 I113 L114 H380 A381 Y386 A387Y110-T383 HydrophobicContact CD2-CG2 3.87Å; Y110-T383 HydrophobicContact CE2-CG2 3.65Å; I113-T383 HydrophobicContact CG2-CG2 3.62Å; L114-T383 HydrophobicContact CD2-CG2 3.99Å; L114-T383 HydrophobicContact CG-CG2 4.4Å; H380-T383 WeakPolarHBondContact O-CB 3.33Å; H380-T383 PolarHBondContact O-N 3.37Å; A381-T383 VanDerWaalsContact C-N 3.27Å; A381-T383 PolarHBondContact O-N 3.36Å; T383-Y386 PolarHBondContact O-N 2.88Å; T383-A387 WeakPolarHBondContact O-CB 3.38Å; T383-A387 PolarHBondContact O-N 3.46Å
384I95.8Very high94.2Very high82 Ų8258.3 Ų58.342%0.42128%0.282SS..Hα-helixtrans-65.1-48.6178.7-63.8171.1000110.6H380 A381 Y386 A387 I388H380-I384 PolarHBondContact O-N 3.2Å; H380-I384 VanDerWaalsContact O-N 3.16Å; A381-I384 PolarHBondContact O-N 3.21Å; I384-Y386 VanDerWaalsContact C-N 3.29Å; I384-Y386 PolarHBondContact O-N 2.98Å; I384-A387 PolarHBondContact O-N 3.17Å; I384-I388 HydrophobicContact CG2-CD1 3.72Å; I384-I388 HydrophobicContact CG2-CG1 4.43Å; I384-I388 WeakPolarHBondContact O-CG1 3.49Å; I384-I388 PolarHBondContact O-N 3.39Å
385I95.4Very high94.3Very high79 Ų7950.3 Ų50.341%0.40525%0.253SS..Hα-helixtrans-61.2-41.4179.1-66.2165.6000110.1T125 A129 A381 S389T125-I385 HydrophobicContact CG2-CB 3.65Å; T125-I385 HydrophobicContact CG2-CG2 3.51Å; A129-I385 HydrophobicContact CB-CG2 4.02Å; A381-I385 HydrophobicContact CB-CD1 4.37Å; A381-I385 VanDerWaalsContact O-CB 3.32Å; A381-I385 WeakPolarHBondContact O-CB 3.3Å; A381-I385 WeakPolarHBondContact O-CD1 3.34Å; A381-I385 WeakPolarHBondContact O-CG1 3.46Å; A381-I385 PolarHBondContact O-N 2.94Å; I385-S389 WeakPolarHBondContact O-CB 3.45Å; I385-S389 PolarHBondContact O-N 3.44Å; I385-S389 PolarHBondContact O-OG 2.81Å
386Y96.6Very high94.5Very high9 Ų945.3 Ų45.34%0.03523%0.231CC..Hα-helixtrans-60.5-47.3176.1176.1-89.4000111.6F73 N77 I113 L124 M128 D382 T383 I384 S389 T390F73-Y386 HydrophobicContact CE2-CE1 4.25Å; F73-Y386 AromaticContact CE2-CZ 3.97Å; F73-Y386 HydrophobicContact CZ-CE1 4.47Å; F73-Y386 HydrophobicContact CZ-CE2 4.23Å; F73-Y386 AromaticContact CZ-CZ 3.74Å; F73-Y386 WeakPolarHBondContact CZ-OH 3.12Å; N77-Y386 PolarHBondContact ND2-OH 3.35Å; I113-Y386 HydrophobicContact CB-CD1 3.46Å; I113-Y386 VanDerWaalsContact CB-CD1 3.46Å; I113-Y386 HydrophobicContact CB-CE1 3.73Å; I113-Y386 HydrophobicContact CB-CG 4.14Å; I113-Y386 HydrophobicContact CD1-CD1 4Å; I113-Y386 HydrophobicContact CD1-CD2 3.98Å; I113-Y386 HydrophobicContact CD1-CE1 4.13Å; I113-Y386 HydrophobicContact CD1-CE2 4.11Å; I113-Y386 HydrophobicContact CD1-CG 3.93Å; I113-Y386 HydrophobicContact CG1-CD1 3.72Å; I113-Y386 HydrophobicContact CG1-CD2 4.41Å; I113-Y386 HydrophobicContact CG1-CE1 4.2Å; I113-Y386 HydrophobicContact CG1-CG 3.85Å; I113-Y386 HydrophobicContact CG2-CD1 3.83Å; I113-Y386 HydrophobicContact CG2-CE1 4.43Å; L124-Y386 HydrophobicContact CB-CD2 4.27Å; L124-Y386 HydrophobicContact CB-CE2 4.18Å; M128-Y386 HydrophobicContact CB-CD2 4.11Å; M128-Y386 HydrophobicContact CB-CE2 4.27Å; M128-Y386 HydrophobicContact CG-CD2 3.85Å; M128-Y386 HydrophobicContact CG-CE2 3.5Å; D382-Y386 VanDerWaalsContact O-CB 3.26Å; D382-Y386 WeakPolarHBondContact O-CB 3.43Å; D382-Y386 PolarHBondContact O-N 3.42Å; T383-Y386 PolarHBondContact O-N 2.88Å; I384-Y386 VanDerWaalsContact C-N 3.29Å; I384-Y386 PolarHBondContact O-N 2.98Å; Y386-S389 PolarHBondContact O-N 2.91Å; Y386-T390 WeakPolarHBondContact CE1-OG1 3.28Å; Y386-T390 VanDerWaalsContact O-CB 3.31Å; Y386-T390 WeakPolarHBondContact O-CB 3.4Å; Y386-T390 PolarHBondContact O-N 3.39Å; Y386-T390 PolarHBondContact O-OG1 3.39Å
387A97.9Very high94.7Very high2 Ų241.5 Ų41.52%0.01721%0.207CC..Hα-helixtrans-63.7-48.3-177.300000111.6L106 S109 Y110 T383 I384 S389 T390 A391L106-A387 HydrophobicContact CD1-CB 4.16Å; S109-A387 VanDerWaalsContact OG-CA 3.28Å; S109-A387 WeakPolarHBondContact OG-CA 3.2Å; S109-A387 PolarHBondContact OG-O 2.88Å; Y110-A387 HydrophobicContact CD2-CB 4.21Å; T383-A387 WeakPolarHBondContact O-CB 3.38Å; T383-A387 PolarHBondContact O-N 3.46Å; I384-A387 PolarHBondContact O-N 3.17Å; A387-S389 PolarHBondContact O-N 2.97Å; A387-T390 PolarHBondContact O-N 3.21Å; A387-A391 VanDerWaalsContact O-CB 3.31Å; A387-A391 WeakPolarHBondContact O-CB 2.84Å; A387-A391 PolarHBondContact O-N 2.99Å
388I98.1Very high95Very high70 Ų7034.2 Ų34.236%0.35918%0.178SC..Hα-helixtrans-62.2-45.6177.6-65.9172000110.7F102 L106 I384 T390 A391 I392F102-I388 HydrophobicContact CE2-CG2 4.49Å; L106-I388 HydrophobicContact CD1-CG1 3.93Å; I384-I388 HydrophobicContact CG2-CD1 3.72Å; I384-I388 HydrophobicContact CG2-CG1 4.43Å; I384-I388 WeakPolarHBondContact O-CG1 3.49Å; I384-I388 PolarHBondContact O-N 3.39Å; I388-T390 VanDerWaalsContact C-N 3.35Å; I388-T390 PolarHBondContact O-N 3.42Å; I388-A391 WeakPolarHBondContact O-CB 3.28Å; I388-A391 PolarHBondContact O-N 3.27Å; I388-I392 HydrophobicContact CG2-CD1 3.88Å; I388-I392 WeakPolarHBondContact O-CG1 3.34Å; I388-I392 PolarHBondContact O-N 2.86Å
389S97.8Very high95.2Very high10 Ų1028.5 Ų28.57%0.0715%0.153CC..Hα-helixtrans-63.7-40.9-179.9-59.70000112.1A129 I385 Y386 A387 I392 C393A129-S389 WeakPolarHBondContact CA-OG 3.39Å; I385-S389 WeakPolarHBondContact O-CB 3.45Å; I385-S389 PolarHBondContact O-N 3.44Å; I385-S389 PolarHBondContact O-OG 2.81Å; Y386-S389 PolarHBondContact O-N 2.91Å; A387-S389 PolarHBondContact O-N 2.97Å; S389-I392 PolarHBondContact O-N 3.46Å; S389-C393 PolarHBondContact O-N 2.75Å; S389-C393 VanDerWaalsContact O-N 3.11Å; S389-C393 PolarHBondContact O-SG 2.9Å
390T97.8Very high95.5Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-65.6-42.5175-55.80000110.7Y386 A387 I388 I392 C393 F394Y386-T390 WeakPolarHBondContact CE1-OG1 3.28Å; Y386-T390 VanDerWaalsContact O-CB 3.31Å; Y386-T390 WeakPolarHBondContact O-CB 3.4Å; Y386-T390 PolarHBondContact O-N 3.39Å; Y386-T390 PolarHBondContact O-OG1 3.39Å; A387-T390 PolarHBondContact O-N 3.21Å; I388-T390 VanDerWaalsContact C-N 3.35Å; I388-T390 PolarHBondContact O-N 3.42Å; T390-I392 PolarHBondContact O-N 2.96Å; T390-C393 PolarHBondContact O-N 3.17Å; T390-F394 HydrophobicContact CG2-CD2 3.77Å; T390-F394 HydrophobicContact CG2-CE2 3.8Å; T390-F394 WeakPolarHBondContact O-CD2 3.23Å; T390-F394 PolarHBondContact O-N 2.9Å
391A98.3Very high95.8Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-61.2-41.2177.400000112.8F102 A105 L106 A387 I388 F394 H395F102-A391 HydrophobicContact CD2-CB 3.53Å; F102-A391 HydrophobicContact CE2-CB 3.67Å; F102-A391 HydrophobicContact CG-CB 4Å; F102-A391 HydrophobicContact CZ-CB 4.25Å; A105-A391 HydrophobicContact CB-CB 4.23Å; L106-A391 HydrophobicContact CB-CB 3.94Å; L106-A391 HydrophobicContact CD1-CB 4.06Å; A387-A391 VanDerWaalsContact O-CB 3.31Å; A387-A391 WeakPolarHBondContact O-CB 2.84Å; A387-A391 PolarHBondContact O-N 2.99Å; I388-A391 WeakPolarHBondContact O-CB 3.28Å; I388-A391 PolarHBondContact O-N 3.27Å; A391-F394 PolarHBondContact O-N 3.47Å; A391-H395 WeakPolarHBondContact O-CB 3.49Å; A391-H395 PolarHBondContact O-N 3.01Å
392I98.1Very high96Very high28 Ų2820.4 Ų20.414%0.14410%0.104CC..Hα-helixtrans-60-47.7172.8-70160.5000110.9F102 A132 L136 I388 S389 T390 F394 H395 A396F102-I392 HydrophobicContact CD2-CG1 4.33Å; F102-I392 HydrophobicContact CE2-CG1 4.12Å; A132-I392 HydrophobicContact CB-CB 4.25Å; A132-I392 HydrophobicContact CB-CD1 4.43Å; A132-I392 HydrophobicContact CB-CG2 4.13Å; L136-I392 HydrophobicContact CD1-CD1 4.1Å; L136-I392 HydrophobicContact CD1-CG2 4.42Å; L136-I392 HydrophobicContact CD2-CG2 3.84Å; L136-I392 HydrophobicContact CG-CG2 3.84Å; I388-I392 HydrophobicContact CG2-CD1 3.88Å; I388-I392 WeakPolarHBondContact O-CG1 3.34Å; I388-I392 PolarHBondContact O-N 2.86Å; S389-I392 PolarHBondContact O-N 3.46Å; T390-I392 PolarHBondContact O-N 2.96Å; I392-F394 VanDerWaalsContact C-N 3.35Å; I392-F394 PolarHBondContact O-N 3.43Å; I392-H395 WeakPolarHBondContact O-CB 3.43Å; I392-H395 PolarHBondContact O-N 3.09Å; I392-A396 PolarHBondContact O-N 3.49Å
393C97.6Very high96.1Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-64.6-38.9-179.1-66.40000112.2M128 S389 T390 A396 A397 L404 Y408M128-C393 HydrophobicContact CE-CB 3.95Å; M128-C393 WeakPolarHBondContact CE-SG 3.49Å; S389-C393 PolarHBondContact O-N 2.75Å; S389-C393 VanDerWaalsContact O-N 3.11Å; S389-C393 PolarHBondContact O-SG 2.9Å; T390-C393 PolarHBondContact O-N 3.17Å; C393-A396 PolarHBondContact O-N 3.44Å; C393-A397 WeakPolarHBondContact O-CB 3.32Å; C393-A397 PolarHBondContact O-N 3.3Å; C393-L404 HydrophobicContact CB-CD1 4.32Å; C393-Y408 HydrophobicContact CB-CE1 3.82Å
394F97.3Very high96.1Very high6 Ų618.4 Ų18.43%0.0269%0.094CC..Hα-helixtrans-70.9-35.8175.4-90.6-106.8000112.2F81 A105 T390 A391 I392 A397 V398 L412 F420F81-F394 HydrophobicContact CB-CD1 4.48Å; F81-F394 HydrophobicContact CB-CE1 4.03Å; F81-F394 AromaticContact CD1-CD1 3.92Å; F81-F394 HydrophobicContact CD1-CD1 3.92Å; F81-F394 AromaticContact CD1-CE1 3.74Å; F81-F394 HydrophobicContact CD1-CE1 3.74Å; F81-F394 AromaticContact CD2-CD1 3.45Å; F81-F394 HydrophobicContact CD2-CD1 3.45Å; F81-F394 VanDerWaalsContact CD2-CD1 3.45Å; F81-F394 AromaticContact CD2-CE1 3.87Å; F81-F394 HydrophobicContact CD2-CE1 3.87Å; F81-F394 HydrophobicContact CD2-CG 4.34Å; F81-F394 AromaticContact CE1-CD1 3.97Å; F81-F394 HydrophobicContact CE1-CD1 3.97Å; F81-F394 HydrophobicContact CE1-CE1 4.17Å; F81-F394 HydrophobicContact CE2-CB 4.32Å; F81-F394 AromaticContact CE2-CD1 3.52Å; F81-F394 HydrophobicContact CE2-CD1 3.52Å; F81-F394 HydrophobicContact CE2-CE1 4.29Å; F81-F394 HydrophobicContact CE2-CG 4.33Å; F81-F394 AromaticContact CG-CD1 3.66Å; F81-F394 HydrophobicContact CG-CD1 3.66Å; F81-F394 AromaticContact CG-CE1 3.57Å; F81-F394 HydrophobicContact CG-CE1 3.57Å; F81-F394 AromaticContact CZ-CD1 3.78Å; F81-F394 HydrophobicContact CZ-CD1 3.78Å; F81-F394 HydrophobicContact CZ-CE1 4.43Å; A105-F394 HydrophobicContact CB-CB 3.43Å; A105-F394 VanDerWaalsContact CB-CB 3.43Å; A105-F394 HydrophobicContact CB-CD1 4.23Å; A105-F394 HydrophobicContact CB-CD2 4.38Å; A105-F394 HydrophobicContact CB-CG 3.77Å; T390-F394 HydrophobicContact CG2-CD2 3.77Å; T390-F394 HydrophobicContact CG2-CE2 3.8Å; T390-F394 WeakPolarHBondContact O-CD2 3.23Å; T390-F394 PolarHBondContact O-N 2.9Å; A391-F394 PolarHBondContact O-N 3.47Å; I392-F394 VanDerWaalsContact C-N 3.35Å; I392-F394 PolarHBondContact O-N 3.43Å; F394-A397 WeakPolarHBondContact O-CB 3.37Å; F394-A397 PolarHBondContact O-N 2.98Å; F394-A397 VanDerWaalsContact O-N 3.16Å; F394-V398 WeakPolarHBondContact O-CG2 3.47Å; F394-V398 PolarHBondContact O-N 3.4Å; F394-L412 HydrophobicContact CE2-CD2 4.1Å; F394-L412 HydrophobicContact CZ-CD2 3.88Å; F394-F420 HydrophobicContact CD1-CE1 4.13Å; F394-F420 HydrophobicContact CD1-CZ 4.02Å; F394-F420 AromaticContact CE1-CE1 3.92Å; F394-F420 HydrophobicContact CE1-CE1 3.92Å; F394-F420 HydrophobicContact CE1-CZ 4.23Å
395H96.8Very high96Very high37 Ų3718.3 Ų18.317%0.1719%0.088CC..Hα-helixtrans-59-48.3171.6-178.267.7000111.4P97 F102 A391 I392 A397 V398 M399P97-H395 PolarHBondContact O-CE1 3.27Å; F102-H395 HydrophobicContact CB-CB 4.01Å; A391-H395 WeakPolarHBondContact O-CB 3.49Å; A391-H395 PolarHBondContact O-N 3.01Å; I392-H395 WeakPolarHBondContact O-CB 3.43Å; I392-H395 PolarHBondContact O-N 3.09Å; H395-A397 VanDerWaalsContact C-N 3.33Å; H395-A397 PolarHBondContact O-N 2.92Å; H395-V398 PolarHBondContact O-N 3.15Å; H395-M399 WeakPolarHBondContact O-CB 3.34Å; H395-M399 PolarHBondContact O-N 2.93Å
396A96.6Very high95.9Very high0 Ų018.4 Ų18.40%09%0.094CC..Hα-helixtrans-62.6-38172.500000112.3T135 M139 I392 C393 V398 E400 V401 L404T135-A396 HydrophobicContact CG2-CB 3.34Å; M139-A396 HydrophobicContact SD-CB 4.31Å; I392-A396 PolarHBondContact O-N 3.49Å; C393-A396 PolarHBondContact O-N 3.44Å; A396-V398 PolarHBondContact O-N 3.43Å; A396-E400 CarbonylContact O-C 3.42Å; A396-E400 WeakPolarHBondContact O-CA 3.45Å; A396-E400 PolarHBondContact O-N 3.27Å; A396-V401 PolarHBondContact O-N 2.92Å; A396-L404 HydrophobicContact CB-CD1 4.29Å
397A96.3Very high95.7Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-64.7-25.6176.700000114C393 F394 H395 V401 L404 W409 L412 F420 R425C393-A397 WeakPolarHBondContact O-CB 3.32Å; C393-A397 PolarHBondContact O-N 3.3Å; F394-A397 WeakPolarHBondContact O-CB 3.37Å; F394-A397 PolarHBondContact O-N 2.98Å; F394-A397 VanDerWaalsContact O-N 3.16Å; H395-A397 VanDerWaalsContact C-N 3.33Å; H395-A397 PolarHBondContact O-N 2.92Å; A397-V401 WeakPolarHBondContact O-CG2 3.24Å; A397-L404 HydrophobicContact CB-CD2 3.77Å; A397-W409 HydrophobicContact CB-CZ3 4.32Å; A397-L412 HydrophobicContact CB-CD1 3.72Å; A397-F420 HydrophobicContact CB-CE1 4.31Å; A397-F420 HydrophobicContact CB-CZ 4.01Å; A397-R425 PolarHBondContact O-NH2 2.95Å
398V95.5Very high95.6Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-87.1-50.2175.8173.60000110.5F81 F394 H395 A396 F420 M423 R425 L428F81-V398 HydrophobicContact CZ-CG2 4.02Å; F394-V398 WeakPolarHBondContact O-CG2 3.47Å; F394-V398 PolarHBondContact O-N 3.4Å; H395-V398 PolarHBondContact O-N 3.15Å; A396-V398 PolarHBondContact O-N 3.43Å; V398-F420 HydrophobicContact CG2-CE2 3.95Å; V398-F420 HydrophobicContact CG2-CZ 4.21Å; V398-M423 HydrophobicContact CG1-CE 3.95Å; V398-M423 HydrophobicContact CG2-CE 4.12Å; V398-M423 HydrophobicContact CG2-SD 4.27Å; V398-R425 PolarHBondContact O-NE 2.83Å; V398-L428 HydrophobicContact CG1-CD1 3.69Å
399M94.2Very high95.5Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-98-31.5-166.6-60.3-58.2-69.400114.7H395 L428 F431 T433 A435H395-M399 WeakPolarHBondContact O-CB 3.34Å; H395-M399 PolarHBondContact O-N 2.93Å; M399-L428 HydrophobicContact CE-CB 4.43Å; M399-L428 HydrophobicContact SD-CB 4.25Å; M399-L428 HydrophobicContact SD-CD1 4.07Å; M399-F431 HydrophobicContact CE-CB 3.77Å; M399-F431 HydrophobicContact CE-CD2 3.48Å; M399-F431 VanDerWaalsContact CE-CD2 3.48Å; M399-F431 HydrophobicContact CE-CE2 4.45Å; M399-F431 HydrophobicContact CE-CG 4.06Å; M399-F431 HydrophobicContact SD-CD2 4.49Å; M399-T433 HydrophobicContact CB-CG2 4.42Å; M399-T433 HydrophobicContact CE-CG2 4Å; M399-T433 WeakPolarHBondContact CE-OG1 3.47Å; M399-T433 PolarHBondContact O-OG1 3.1Å; M399-A435 WeakPolarHBondContact O-CA 3.39Å; M399-A435 WeakPolarHBondContact O-CB 3.2Å
400E93.4Very high95.4Very high5 Ų526.5 Ų26.52%0.02313%0.132CC..  trans-14759.4-168.3-66.2-176.1-123.600111.3M139 R143 A396 Q402 N403 T433M139-E400 VanDerWaalsContact CE-OE1 3.28Å; M139-E400 WeakPolarHBondContact CE-OE1 3.5Å; R143-E400 IonicContact CZ-OE1 3.92Å; R143-E400 IonicContact NE-OE1 3.59Å; R143-E400 IonicContact NH2-OE1 3.99Å; R143-E400 PolarHBondContact NH2-OE1 3.35Å; A396-E400 CarbonylContact O-C 3.42Å; A396-E400 WeakPolarHBondContact O-CA 3.45Å; A396-E400 PolarHBondContact O-N 3.27Å; E400-Q402 PolarHBondContact O-N 2.94Å; E400-Q402 VanDerWaalsContact O-N 3.08Å; E400-N403 HydrophobicContact CB-CB 4.43Å; E400-N403 PolarHBondContact O-N 3.16Å; E400-N403 PolarHBondContact OE2-ND2 3.34Å; E400-T433 HydrophobicContact CG-CG2 4.27Å
401V94.1Very high95.3Very high10 Ų1028.7 Ų28.76%0.06114%0.141CC..G310 helixtrans-56.8-30.2-175.2177.90000112A396 A397 N403 L404 W409 F439A396-V401 PolarHBondContact O-N 2.92Å; A397-V401 WeakPolarHBondContact O-CG2 3.24Å; V401-N403 PolarHBondContact O-N 3.29Å; V401-L404 WeakPolarHBondContact O-CB 3.41Å; V401-L404 PolarHBondContact O-N 2.85Å; V401-L404 VanDerWaalsContact O-N 3.09Å; V401-W409 HydrophobicContact CG1-CD2 3.7Å; V401-W409 HydrophobicContact CG1-CE3 4.04Å; V401-W409 HydrophobicContact CG1-CG 4.01Å; V401-W409 HydrophobicContact CG1-CZ2 4.28Å; V401-W409 HydrophobicContact CG1-CZ3 4.48Å; V401-W409 HydrophobicContact CG2-CH2 4.34Å; V401-W409 HydrophobicContact CG2-CZ3 4.24Å; V401-F439 HydrophobicContact CB-CE2 4.2Å; V401-F439 HydrophobicContact CG1-CZ 4.47Å; V401-F439 HydrophobicContact CG2-CE2 3.88Å; V401-F439 HydrophobicContact CG2-CZ 4.05Å
402Q92.8Very high95.2Very high39 Ų3928.8 Ų28.818%0.18214%0.142CC..G310 helixtrans-56.5-30.1174.863.5-8318.700113.7E400 T433E400-Q402 PolarHBondContact O-N 2.94Å; E400-Q402 VanDerWaalsContact O-N 3.08Å; Q402-T433 PolarHBondContact NE2-O 3.14Å
403N94.6Very high95.2Very high6 Ų629.4 Ų29.43%0.03215%0.145CC..G310 helixtrans-90.4-6.2-178.7-68.7-40000112.6R138 M139 T142 E400 V401R138-N403 HydrophobicContact CB-CB 4.03Å; R138-N403 WeakPolarHBondContact CD-O 3.31Å; R138-N403 PolarHBondContact O-OD1 3.08Å; M139-N403 HydrophobicContact CG-CB 3.66Å; T142-N403 PolarHBondContact OG1-OD1 3.28Å; E400-N403 HydrophobicContact CB-CB 4.43Å; E400-N403 PolarHBondContact O-N 3.16Å; E400-N403 PolarHBondContact OE2-ND2 3.34Å; V401-N403 PolarHBondContact O-N 3.29Å
404L94.4Very high95.1Very high4 Ų436 Ų362%0.02117%0.17CC..SBendtrans-87.8146.8179.5-16266.1000111.4T135 C393 A396 A397 V401 P406 Y408 W409 L412T135-L404 HydrophobicContact CG2-CD1 4.13Å; C393-L404 HydrophobicContact CB-CD1 4.32Å; A396-L404 HydrophobicContact CB-CD1 4.29Å; A397-L404 HydrophobicContact CB-CD2 3.77Å; V401-L404 WeakPolarHBondContact O-CB 3.41Å; V401-L404 PolarHBondContact O-N 2.85Å; V401-L404 VanDerWaalsContact O-N 3.09Å; L404-P406 WeakPolarHBondContact O-CD 3.4Å; L404-Y408 HydrophobicContact CD1-CD1 3.79Å; L404-Y408 HydrophobicContact CD1-CE1 4.22Å; L404-Y408 HydrophobicContact CD2-CD1 3.75Å; L404-Y408 HydrophobicContact CD2-CE1 4.29Å; L404-Y408 HydrophobicContact CG-CD1 3.86Å; L404-W409 HydrophobicContact CD2-CB 4.33Å; L404-W409 HydrophobicContact CD2-CE3 4.32Å; L404-L412 HydrophobicContact CD2-CD1 4.12Å
405R92.9Very high95Very high79 Ų7936 Ų3630%0.29817%0.17SC..  trans-61.5127.9176.3-170.7176.8174.5161.84110.7L131 S352 S407 Y408 W409L131-R405 HydrophobicContact CD1-CB 3.64Å; S352-R405 PolarHBondContact OG-NH1 3.47Å; S352-R405 PolarHBondContact OG-NH2 3.05Å; R405-S407 VanDerWaalsContact C-N 3.28Å; R405-S407 WeakPolarHBondContact CD-OG 3.49Å; R405-S407 WeakPolarHBondContact CG-OG 3.4Å; R405-S407 PolarHBondContact NE-OG 3.19Å; R405-S407 PolarHBondContact O-N 3.13Å; R405-S407 VanDerWaalsContact O-N 3.14Å; R405-Y408 WeakPolarHBondContact O-CB 3.21Å; R405-Y408 PolarHBondContact O-N 2.68Å; R405-W409 PolarHBondContact O-N 3.07Å
406P93.7Very high95Very high82 Ų8234.8 Ų34.853%0.53217%0.166SC..Hα-helixtrans-58.2-34.9-175.1-28.835000114.8L404 Y408 W409 K410L404-P406 WeakPolarHBondContact O-CD 3.4Å; P406-Y408 VanDerWaalsContact C-N 3.31Å; P406-Y408 PolarHBondContact O-N 2.74Å; P406-W409 PolarHBondContact O-N 3.05Å; P406-K410 WeakPolarHBondContact O-CG 3.24Å; P406-K410 PolarHBondContact O-N 2.79Å
407S92.6Very high94.9Very high64 Ų6439.3 Ų39.345%0.44819%0.185SC..Hα-helixtrans-66.1-34.4176.4560000112.5R405 F411R405-S407 VanDerWaalsContact C-N 3.28Å; R405-S407 WeakPolarHBondContact CD-OG 3.49Å; R405-S407 WeakPolarHBondContact CG-OG 3.4Å; R405-S407 PolarHBondContact NE-OG 3.19Å; R405-S407 PolarHBondContact O-N 3.13Å; R405-S407 VanDerWaalsContact O-N 3.14Å; S407-F411 WeakPolarHBondContact O-CB 3.1Å; S407-F411 PolarHBondContact O-N 2.9Å
408Y95.2Very high94.9Very high8 Ų840.8 Ų40.83%0.03120%0.201CC..Hα-helixtrans-75-40.3176.8-174.4-110.1000111.3M128 L131 C393 L404 R405 P406 K410 F411 L412M128-Y408 HydrophobicContact SD-CE2 4.26Å; L131-Y408 HydrophobicContact CD2-CD1 3.69Å; L131-Y408 HydrophobicContact CD2-CD2 3.4Å; L131-Y408 VanDerWaalsContact CD2-CD2 3.4Å; L131-Y408 HydrophobicContact CD2-CE1 3.94Å; L131-Y408 HydrophobicContact CD2-CE2 3.66Å; L131-Y408 HydrophobicContact CD2-CG 3.39Å; C393-Y408 HydrophobicContact CB-CE1 3.82Å; L404-Y408 HydrophobicContact CD1-CD1 3.79Å; L404-Y408 HydrophobicContact CD1-CE1 4.22Å; L404-Y408 HydrophobicContact CD2-CD1 3.75Å; L404-Y408 HydrophobicContact CD2-CE1 4.29Å; L404-Y408 HydrophobicContact CG-CD1 3.86Å; R405-Y408 WeakPolarHBondContact O-CB 3.21Å; R405-Y408 PolarHBondContact O-N 2.68Å; P406-Y408 VanDerWaalsContact C-N 3.31Å; P406-Y408 PolarHBondContact O-N 2.74Å; Y408-K410 PolarHBondContact O-N 3.33Å; Y408-F411 HydrophobicContact CD2-CD1 4Å; Y408-F411 AromaticContact CE2-CD1 3.99Å; Y408-F411 HydrophobicContact CE2-CD1 3.99Å; Y408-F411 HydrophobicContact CE2-CE1 4.33Å; Y408-F411 WeakPolarHBondContact O-CA 3.39Å; Y408-F411 VanDerWaalsContact O-CB 3.31Å; Y408-F411 WeakPolarHBondContact O-CB 3.45Å; Y408-F411 PolarHBondContact O-N 3.02Å; Y408-F411 VanDerWaalsContact O-N 3.09Å; Y408-L412 HydrophobicContact CD1-CD1 4Å; Y408-L412 HydrophobicContact CD1-CG 4.29Å; Y408-L412 HydrophobicContact CE1-CD1 3.67Å; Y408-L412 HydrophobicContact CE1-CD2 4.27Å; Y408-L412 HydrophobicContact CE1-CG 4.02Å; Y408-L412 WeakPolarHBondContact O-CG 3.11Å; Y408-L412 PolarHBondContact O-N 2.88Å
409W96.2Very high94.8Very high36 Ų3643.5 Ų43.514%0.13621%0.211CC..Hα-helixtrans-57.5-47.9171.3178.4-121.6000112.3A397 V401 L404 R405 P406 F411 L412 L413 F420 F439A397-W409 HydrophobicContact CB-CZ3 4.32Å; V401-W409 HydrophobicContact CG1-CD2 3.7Å; V401-W409 HydrophobicContact CG1-CE3 4.04Å; V401-W409 HydrophobicContact CG1-CG 4.01Å; V401-W409 HydrophobicContact CG1-CZ2 4.28Å; V401-W409 HydrophobicContact CG1-CZ3 4.48Å; V401-W409 HydrophobicContact CG2-CH2 4.34Å; V401-W409 HydrophobicContact CG2-CZ3 4.24Å; L404-W409 HydrophobicContact CD2-CB 4.33Å; L404-W409 HydrophobicContact CD2-CE3 4.32Å; R405-W409 PolarHBondContact O-N 3.07Å; P406-W409 PolarHBondContact O-N 3.05Å; W409-F411 PolarHBondContact O-N 3.31Å; W409-L412 HydrophobicContact CE3-CB 4.48Å; W409-L412 HydrophobicContact CE3-CD1 4.26Å; W409-L412 PolarHBondContact O-N 3Å; W409-L412 VanDerWaalsContact O-N 3.14Å; W409-L413 HydrophobicContact CD2-CD1 4.44Å; W409-L413 HydrophobicContact CD2-CG 4.26Å; W409-L413 HydrophobicContact CH2-CD2 3.97Å; W409-L413 HydrophobicContact CH2-CG 4.46Å; W409-L413 HydrophobicContact CZ2-CD1 4.09Å; W409-L413 HydrophobicContact CZ2-CD2 3.61Å; W409-L413 HydrophobicContact CZ2-CG 3.93Å; W409-L413 PolarHBondContact O-N 2.84Å; W409-F420 HydrophobicContact CH2-CB 4.37Å; W409-F420 HydrophobicContact CH2-CG 4.42Å; W409-F420 HydrophobicContact CZ3-CD1 4.41Å; W409-F420 HydrophobicContact CZ3-CG 4.27Å; W409-F439 HydrophobicContact CH2-CZ 4.02Å; W409-F439 AromaticContact CZ2-CE1 3.93Å; W409-F439 HydrophobicContact CZ2-CE1 3.93Å; W409-F439 AromaticContact CZ2-CZ 3.6Å; W409-F439 HydrophobicContact CZ2-CZ 3.6Å
410K96.4Very high94.9Very high153 Ų15344 Ų4467%0.66521%0.214SC*.Hα-helixtrans-58.4-37.2173.8-73.7179-175.4-178.10112.5P406 Y408 R414P406-K410 WeakPolarHBondContact O-CG 3.24Å; P406-K410 PolarHBondContact O-N 2.79Å; Y408-K410 PolarHBondContact O-N 3.33Å; K410-R414 WeakPolarHBondContact O-CB 3.28Å; K410-R414 PolarHBondContact O-N 3.32Å
411F95.5Very high94.9Very high45 Ų4545 Ų4520%0.19722%0.223CC..Hα-helixtrans-64-46.1175.1165.7-102.4000111.9I40 L74 S407 Y408 W409 R414 L415I40-F411 HydrophobicContact CD1-CD2 4.31Å; I40-F411 HydrophobicContact CD1-CE2 3.79Å; L74-F411 HydrophobicContact CD1-CZ 3.95Å; L74-F411 HydrophobicContact CD2-CE2 4.22Å; L74-F411 HydrophobicContact CD2-CZ 3.88Å; L74-F411 HydrophobicContact CG-CZ 4.42Å; S407-F411 WeakPolarHBondContact O-CB 3.1Å; S407-F411 PolarHBondContact O-N 2.9Å; Y408-F411 HydrophobicContact CD2-CD1 4Å; Y408-F411 AromaticContact CE2-CD1 3.99Å; Y408-F411 HydrophobicContact CE2-CD1 3.99Å; Y408-F411 HydrophobicContact CE2-CE1 4.33Å; Y408-F411 WeakPolarHBondContact O-CA 3.39Å; Y408-F411 VanDerWaalsContact O-CB 3.31Å; Y408-F411 WeakPolarHBondContact O-CB 3.45Å; Y408-F411 PolarHBondContact O-N 3.02Å; Y408-F411 VanDerWaalsContact O-N 3.09Å; W409-F411 PolarHBondContact O-N 3.31Å; F411-R414 PolarHBondContact O-N 2.86Å; F411-L415 WeakPolarHBondContact O-CB 2.72Å; F411-L415 PolarHBondContact O-N 2.95Å
412L96.3Very high94.9Very high3 Ų347.3 Ų47.32%0.01623%0.234CC..Hα-helixtrans-61.6-43.2176.4-68.7178.8000112.2F394 A397 L404 Y408 W409 R414 L415 T416 F420F394-L412 HydrophobicContact CE2-CD2 4.1Å; F394-L412 HydrophobicContact CZ-CD2 3.88Å; A397-L412 HydrophobicContact CB-CD1 3.72Å; L404-L412 HydrophobicContact CD2-CD1 4.12Å; Y408-L412 HydrophobicContact CD1-CD1 4Å; Y408-L412 HydrophobicContact CD1-CG 4.29Å; Y408-L412 HydrophobicContact CE1-CD1 3.67Å; Y408-L412 HydrophobicContact CE1-CD2 4.27Å; Y408-L412 HydrophobicContact CE1-CG 4.02Å; Y408-L412 WeakPolarHBondContact O-CG 3.11Å; Y408-L412 PolarHBondContact O-N 2.88Å; W409-L412 HydrophobicContact CE3-CB 4.48Å; W409-L412 HydrophobicContact CE3-CD1 4.26Å; W409-L412 PolarHBondContact O-N 3Å; W409-L412 VanDerWaalsContact O-N 3.14Å; L412-R414 VanDerWaalsContact C-N 3.35Å; L412-R414 PolarHBondContact O-N 3.44Å; L412-L415 PolarHBondContact O-N 3.23Å; L412-T416 WeakPolarHBondContact O-CG2 3.33Å; L412-T416 PolarHBondContact O-N 3.21Å; L412-T416 PolarHBondContact O-OG1 3.49Å; L412-F420 HydrophobicContact CB-CD1 3.96Å; L412-F420 HydrophobicContact CB-CE1 4.33Å; L412-F420 HydrophobicContact CD1-CD1 4.37Å; L412-F420 HydrophobicContact CD1-CE1 3.96Å; L412-F420 HydrophobicContact CD2-CE1 4.41Å; L412-F420 HydrophobicContact CG-CE1 4.47Å
413L96.6Very high95Very high40 Ų4045.8 Ų45.821%0.20923%0.227CC..Hα-helixtrans-61.5-43.7174.4-71.1179.7000111.8W409 L415 T416 K417 G418 F420 A421W409-L413 HydrophobicContact CD2-CD1 4.44Å; W409-L413 HydrophobicContact CD2-CG 4.26Å; W409-L413 HydrophobicContact CH2-CD2 3.97Å; W409-L413 HydrophobicContact CH2-CG 4.46Å; W409-L413 HydrophobicContact CZ2-CD1 4.09Å; W409-L413 HydrophobicContact CZ2-CD2 3.61Å; W409-L413 HydrophobicContact CZ2-CG 3.93Å; W409-L413 PolarHBondContact O-N 2.84Å; L413-L415 PolarHBondContact O-N 3.49Å; L413-T416 PolarHBondContact O-N 2.92Å; L413-T416 PolarHBondContact O-OG1 3.46Å; L413-K417 PolarHBondContact O-N 2.82Å; L413-G418 PolarHBondContact O-N 3.17Å; L413-F420 HydrophobicContact CD2-CB 4.29Å; L413-A421 HydrophobicContact CD2-CB 3.76Å
414R96.4Very high94.9Very high138 Ų13845.5 Ų45.552%0.52123%0.226SC..Hα-helixtrans-61.3-45.9176.8-172.6173.559.6-173.3-0.8111.1V36 K410 F411 L412 T416 K417V36-R414 HydrophobicContact CG1-CG 3.93Å; V36-R414 HydrophobicContact CG2-CG 4.24Å; V36-R414 WeakPolarHBondContact CG2-O 3.31Å; K410-R414 WeakPolarHBondContact O-CB 3.28Å; K410-R414 PolarHBondContact O-N 3.32Å; F411-R414 PolarHBondContact O-N 2.86Å; L412-R414 VanDerWaalsContact C-N 3.35Å; L412-R414 PolarHBondContact O-N 3.44Å; R414-T416 VanDerWaalsContact C-N 3.28Å; R414-T416 PolarHBondContact O-N 3.09Å; R414-K417 PolarHBondContact O-N 3.16Å
415L95.1Very high94.9Very high6 Ų645.5 Ų45.53%0.03123%0.225CC..Hα-helixtrans-60.4-38.1180-167.472.8000112.2G32 A33 V36 L74 F411 L412 L413G32-L415 CarbonylContact C-O 3.48Å; A33-L415 WeakPolarHBondContact CA-O 3.36Å; A33-L415 HydrophobicContact CB-CD1 3.89Å; A33-L415 HydrophobicContact CB-CG 3.93Å; A33-L415 PolarHBondContact N-O 3.28Å; V36-L415 HydrophobicContact CB-CD1 4.41Å; V36-L415 HydrophobicContact CG1-CD1 4.25Å; L74-L415 HydrophobicContact CD2-CD1 4.25Å; L74-L415 HydrophobicContact CG-CD1 4.14Å; F411-L415 WeakPolarHBondContact O-CB 2.72Å; F411-L415 PolarHBondContact O-N 2.95Å; L412-L415 PolarHBondContact O-N 3.23Å; L413-L415 PolarHBondContact O-N 3.49Å
416T95.9Very high94.8Very high13 Ų1346.4 Ų46.48%0.0823%0.233CC..THydrogen-bonded Turntrans-934.6-178.458.10000114I29 L412 L413 R414 G418 R419 F420I29-T416 HydrophobicContact CD1-CG2 4.06Å; L412-T416 WeakPolarHBondContact O-CG2 3.33Å; L412-T416 PolarHBondContact O-N 3.21Å; L412-T416 PolarHBondContact O-OG1 3.49Å; L413-T416 PolarHBondContact O-N 2.92Å; L413-T416 PolarHBondContact O-OG1 3.46Å; R414-T416 VanDerWaalsContact C-N 3.28Å; R414-T416 PolarHBondContact O-N 3.09Å; T416-G418 PolarHBondContact O-N 3.33Å; T416-R419 VanDerWaalsContact O-CB 3.27Å; T416-R419 WeakPolarHBondContact O-CB 3.27Å; T416-R419 VanDerWaalsContact O-CG 3.28Å; T416-R419 WeakPolarHBondContact O-CG 3.34Å; T416-R419 PolarHBondContact O-N 3.47Å; T416-R419 VanDerWaalsContact O-N 3.15Å; T416-F420 HydrophobicContact CG2-CB 4.06Å; T416-F420 HydrophobicContact CG2-CD1 4.14Å; T416-F420 HydrophobicContact CG2-CG 4.45Å; T416-F420 WeakPolarHBondContact OG1-CB 3.15Å; T416-F420 PolarHBondContact OG1-N 2.77Å
417K95.9Very high94.6Very high94 Ų9443.8 Ų43.841%0.40922%0.215SC..THydrogen-bonded Turntrans54.739.7-173.8-56.6-68.8-169.7162.80112.8E35 L413 R414 R419E35-K417 IonicContact OE1-NZ 3.02Å; E35-K417 PolarHBondContact OE1-NZ 3.46Å; E35-K417 VanDerWaalsContact OE2-CE 3.3Å; E35-K417 WeakPolarHBondContact OE2-CE 3.28Å; E35-K417 IonicContact OE2-NZ 3.18Å; E35-K417 PolarHBondContact OE2-NZ 3.04Å; L413-K417 PolarHBondContact O-N 2.82Å; R414-K417 PolarHBondContact O-N 3.16Å; K417-R419 VanDerWaalsContact C-N 3.25Å; K417-R419 PolarHBondContact O-N 3.32Å
418G94.6Very high94.6Very high32 Ų3240.8 Ų40.833%0.3319%0.193SC..THydrogen-bonded Turntrans83.8-12.1-179.600000114.5L413 T416 F420 A421L413-G418 PolarHBondContact O-N 3.17Å; T416-G418 PolarHBondContact O-N 3.33Å; G418-F420 VanDerWaalsContact C-N 3.27Å; G418-F420 PolarHBondContact O-N 3.34Å; G418-A421 WeakPolarHBondContact O-CB 3.27Å; G418-A421 PolarHBondContact O-N 3.41Å
419R95.1Very high94.4Very high57 Ų5742.5 Ų42.522%0.21520%0.203CC..G310 helixtrans-64.2-26.4-172.6-64.6-180179.2120.2-13.2114.5W18 D28 I29 T416 K417 A421 L422W18-R419 HydrophobicContact CD2-CB 4.38Å; W18-R419 HydrophobicContact CD2-CG 4.28Å; W18-R419 HydrophobicContact CE3-CB 3.97Å; W18-R419 HydrophobicContact CE3-CG 4.32Å; W18-R419 HydrophobicContact CH2-CB 3.91Å; W18-R419 HydrophobicContact CZ2-CB 4.32Å; W18-R419 HydrophobicContact CZ3-CB 3.71Å; W18-R419 HydrophobicContact CZ3-CG 4.48Å; D28-R419 PolarHBondContact O-NH1 3.45Å; D28-R419 IonicContact OD1-NH2 2.68Å; D28-R419 IonicContact OD2-NH2 3.7Å; I29-R419 HydrophobicContact CD1-CB 3.93Å; T416-R419 VanDerWaalsContact O-CB 3.27Å; T416-R419 WeakPolarHBondContact O-CB 3.27Å; T416-R419 VanDerWaalsContact O-CG 3.28Å; T416-R419 WeakPolarHBondContact O-CG 3.34Å; T416-R419 PolarHBondContact O-N 3.47Å; T416-R419 VanDerWaalsContact O-N 3.15Å; K417-R419 VanDerWaalsContact C-N 3.25Å; K417-R419 PolarHBondContact O-N 3.32Å; R419-A421 PolarHBondContact O-N 3.2Å; R419-L422 HydrophobicContact CB-CD1 4.47Å; R419-L422 HydrophobicContact CG-CD1 4.34Å; R419-L422 WeakPolarHBondContact O-CB 3.48Å; R419-L422 PolarHBondContact O-N 2.9Å
420F94.6Very high94Very high11 Ų1145.6 Ų45.65%0.04823%0.226CC..G310 helixtrans-64.6-22175.5-146.6160.7000112.8F81 F394 A397 V398 W409 L412 L413 T416 G418 L422 M423 R425F81-F420 HydrophobicContact CE1-CE1 4.5Å; F81-F420 HydrophobicContact CE1-CE2 4.11Å; F81-F420 AromaticContact CE1-CZ 3.81Å; F81-F420 HydrophobicContact CE1-CZ 3.81Å; F81-F420 HydrophobicContact CZ-CE2 4.48Å; F81-F420 HydrophobicContact CZ-CZ 4.14Å; F394-F420 HydrophobicContact CD1-CE1 4.13Å; F394-F420 HydrophobicContact CD1-CZ 4.02Å; F394-F420 AromaticContact CE1-CE1 3.92Å; F394-F420 HydrophobicContact CE1-CE1 3.92Å; F394-F420 HydrophobicContact CE1-CZ 4.23Å; A397-F420 HydrophobicContact CB-CE1 4.31Å; A397-F420 HydrophobicContact CB-CZ 4.01Å; V398-F420 HydrophobicContact CG2-CE2 3.95Å; V398-F420 HydrophobicContact CG2-CZ 4.21Å; W409-F420 HydrophobicContact CH2-CB 4.37Å; W409-F420 HydrophobicContact CH2-CG 4.42Å; W409-F420 HydrophobicContact CZ3-CD1 4.41Å; W409-F420 HydrophobicContact CZ3-CG 4.27Å; L412-F420 HydrophobicContact CB-CD1 3.96Å; L412-F420 HydrophobicContact CB-CE1 4.33Å; L412-F420 HydrophobicContact CD1-CD1 4.37Å; L412-F420 HydrophobicContact CD1-CE1 3.96Å; L412-F420 HydrophobicContact CD2-CE1 4.41Å; L412-F420 HydrophobicContact CG-CE1 4.47Å; L413-F420 HydrophobicContact CD2-CB 4.29Å; T416-F420 HydrophobicContact CG2-CB 4.06Å; T416-F420 HydrophobicContact CG2-CD1 4.14Å; T416-F420 HydrophobicContact CG2-CG 4.45Å; T416-F420 WeakPolarHBondContact OG1-CB 3.15Å; T416-F420 PolarHBondContact OG1-N 2.77Å; G418-F420 VanDerWaalsContact C-N 3.27Å; G418-F420 PolarHBondContact O-N 3.34Å; F420-L422 VanDerWaalsContact C-N 3.31Å; F420-M423 HydrophobicContact CD2-CG 4.28Å; F420-M423 HydrophobicContact CD2-SD 3.47Å; F420-M423 WeakPolarHBondContact CD2-SD 3.29Å; F420-M423 HydrophobicContact CE2-SD 3.41Å; F420-M423 WeakPolarHBondContact CE2-SD 3.46Å; F420-R425 PolarHBondContact O-NH1 3.09Å; F420-R425 PolarHBondContact O-NH2 3.46Å
421A93.8Very high93.7Very high26 Ų2639.1 Ų39.122%0.21520%0.198CC..G310 helixtrans-74.6-22172.300000112.8L413 G418 R419 M423 F439L413-A421 HydrophobicContact CD2-CB 3.76Å; G418-A421 WeakPolarHBondContact O-CB 3.27Å; G418-A421 PolarHBondContact O-N 3.41Å; R419-A421 PolarHBondContact O-N 3.2Å; A421-M423 PolarHBondContact O-N 3.19Å; A421-F439 HydrophobicContact CB-CE1 4.05Å
422L94.5Very high93.3Very high57 Ų5740.2 Ų40.230%0.29822%0.221SC..G310 helixtrans-80.4-0.6-175.4-55.5177.8000113.5T17 W18 R419 F420 F442T17-L422 WeakPolarHBondContact CG2-O 3.09Å; T17-L422 PolarHBondContact OG1-O 3.32Å; W18-L422 HydrophobicContact CB-CD1 4.28Å; W18-L422 HydrophobicContact CE3-CB 4.32Å; W18-L422 HydrophobicContact CE3-CD1 4.19Å; R419-L422 HydrophobicContact CB-CD1 4.47Å; R419-L422 HydrophobicContact CG-CD1 4.34Å; R419-L422 WeakPolarHBondContact O-CB 3.48Å; R419-L422 PolarHBondContact O-N 2.9Å; F420-L422 VanDerWaalsContact C-N 3.31Å; L422-F442 HydrophobicContact CB-CZ 4.27Å; L422-F442 HydrophobicContact CD2-CE2 4.12Å; L422-F442 HydrophobicContact CD2-CZ 3.97Å; L422-F442 VanDerWaalsContact O-CE1 3.23Å; L422-F442 WeakPolarHBondContact O-CE1 3.07Å
423M94.4Very high92.9Very high7 Ų741.1 Ų41.13%0.03423%0.227CC..SBendtrans-62.7139.4174.8-62.7-179.171.200110.8I14 G15 F85 V398 F420 A421 R425I14-M423 CarbonylContact O-C 3.21Å; I14-M423 WeakPolarHBondContact O-CA 3.29Å; I14-M423 WeakPolarHBondContact O-CB 3.24Å; G15-M423 WeakPolarHBondContact O-CG 3.3Å; F85-M423 HydrophobicContact CE2-CE 3.87Å; F85-M423 HydrophobicContact CZ-CE 4.07Å; V398-M423 HydrophobicContact CG1-CE 3.95Å; V398-M423 HydrophobicContact CG2-CE 4.12Å; V398-M423 HydrophobicContact CG2-SD 4.27Å; F420-M423 HydrophobicContact CD2-CG 4.28Å; F420-M423 HydrophobicContact CD2-SD 3.47Å; F420-M423 WeakPolarHBondContact CD2-SD 3.29Å; F420-M423 HydrophobicContact CE2-SD 3.41Å; F420-M423 WeakPolarHBondContact CE2-SD 3.46Å; A421-M423 PolarHBondContact O-N 3.19Å; M423-R425 HydrophobicContact CB-CG 4.43Å; M423-R425 PolarHBondContact O-N 2.97Å
424N93.8Very high92.5Very high1 Ų144.2 Ų44.21%0.00524%0.24CC..  trans-76.287.2174.8-164.8-16.1000110.5E13 I14 T17 L427 P444E13-N424 WeakPolarHBondContact O-CB 3.39Å; E13-N424 PolarHBondContact O-ND2 3.3Å; I14-N424 PolarHBondContact O-N 2.87Å; T17-N424 HydrophobicContact CG2-CB 4.32Å; N424-L427 HydrophobicContact CB-CD1 4.2Å; N424-L427 HydrophobicContact CB-CG 4.49Å; N424-L427 VanDerWaalsContact ND2-CD1 3.27Å; N424-L427 WeakPolarHBondContact ND2-CD1 3.4Å; N424-P444 HydrophobicContact CB-CG 3.9Å
425R93.1Very high92.3Very high3 Ų337.7 Ų37.71%0.01122%0.216CC..  trans-80.4-20.1-177.4-71.7177.717280.91.7113.4A397 V398 F420 M423 L427 L428 D429 A435A397-R425 PolarHBondContact O-NH2 2.95Å; V398-R425 PolarHBondContact O-NE 2.83Å; F420-R425 PolarHBondContact O-NH1 3.09Å; F420-R425 PolarHBondContact O-NH2 3.46Å; M423-R425 HydrophobicContact CB-CG 4.43Å; M423-R425 PolarHBondContact O-N 2.97Å; R425-L427 VanDerWaalsContact C-N 3.25Å; R425-L427 PolarHBondContact O-N 2.89Å; R425-L428 HydrophobicContact CG-CD1 4.45Å; R425-L428 WeakPolarHBondContact O-CA 3.47Å; R425-L428 WeakPolarHBondContact O-CB 3.4Å; R425-L428 PolarHBondContact O-N 3.43Å; R425-D429 PolarHBondContact O-N 3.37Å; R425-A435 HydrophobicContact CB-CB 4.02Å; R425-A435 VanDerWaalsContact CD-O 3.3Å; R425-A435 WeakPolarHBondContact CD-O 2.96Å; R425-A435 HydrophobicContact CG-CB 4.42Å
426E90.8Very high92.1Very high98 Ų9838.8 Ų38.846%0.45822%0.224SC..G310 helixtrans-59.6-40175.2-170.3177.9-176.300110.8L428 D429E426-L428 PolarHBondContact O-N 2.84Å; E426-D429 WeakPolarHBondContact O-CB 3.43Å; E426-D429 PolarHBondContact O-N 3.39Å; E426-D429 VanDerWaalsContact O-N 3.16Å
427L90.1Very high91.8Very high28 Ų2845.3 Ų45.315%0.14725%0.247CC..G310 helixtrans-63-26173.8-63.9178.4000113.2I7 I14 N424 R425 V430I7-L427 VanDerWaalsContact CD1-O 3.24Å; I7-L427 WeakPolarHBondContact CD1-O 3.03Å; I14-L427 HydrophobicContact CG1-CB 4.35Å; I14-L427 HydrophobicContact CG1-CD1 3.83Å; N424-L427 HydrophobicContact CB-CD1 4.2Å; N424-L427 HydrophobicContact CB-CG 4.49Å; N424-L427 VanDerWaalsContact ND2-CD1 3.27Å; N424-L427 WeakPolarHBondContact ND2-CD1 3.4Å; R425-L427 VanDerWaalsContact C-N 3.25Å; R425-L427 PolarHBondContact O-N 2.89Å; L427-V430 WeakPolarHBondContact O-CG1 3.43Å
428L91.9Very high91.5Very high0 Ų045.1 Ų45.10%025%0.251CS..G310 helixtrans-84.2-12.5-179.9-58.9177.1000112.9I7 I14 V398 M399 R425 E426 V430 F431 A435I7-L428 HydrophobicContact CD1-CD2 4.18Å; I14-L428 HydrophobicContact CG2-CD1 4.38Å; I14-L428 HydrophobicContact CG2-CD2 4.06Å; I14-L428 HydrophobicContact CG2-CG 4.34Å; V398-L428 HydrophobicContact CG1-CD1 3.69Å; M399-L428 HydrophobicContact CE-CB 4.43Å; M399-L428 HydrophobicContact SD-CB 4.25Å; M399-L428 HydrophobicContact SD-CD1 4.07Å; R425-L428 HydrophobicContact CG-CD1 4.45Å; R425-L428 WeakPolarHBondContact O-CA 3.47Å; R425-L428 WeakPolarHBondContact O-CB 3.4Å; R425-L428 PolarHBondContact O-N 3.43Å; E426-L428 PolarHBondContact O-N 2.84Å; L428-V430 PolarHBondContact O-N 3.04Å; L428-F431 HydrophobicContact CD2-CD2 4.46Å; L428-F431 HydrophobicContact CD2-CE2 4.13Å; L428-F431 WeakPolarHBondContact O-CB 3.35Å; L428-F431 WeakPolarHBondContact O-CD2 3.27Å; L428-F431 PolarHBondContact O-N 3.42Å; L428-F431 VanDerWaalsContact O-N 3.12Å; L428-A435 HydrophobicContact CB-CB 3.99Å
429D90.7Very high91.2Very high45 Ų4545.2 Ų45.224%0.24124%0.242CC..G310 helixtrans-66.1-20.5-179.1-72-28.7000113.1R425 E426 F431 G432 E434 A435 S436R425-D429 PolarHBondContact O-N 3.37Å; E426-D429 WeakPolarHBondContact O-CB 3.43Å; E426-D429 PolarHBondContact O-N 3.39Å; E426-D429 VanDerWaalsContact O-N 3.16Å; D429-F431 PolarHBondContact O-N 3.25Å; D429-G432 PolarHBondContact O-N 3.39Å; D429-E434 VanDerWaalsContact OD1-C 3.27Å; D429-E434 WeakPolarHBondContact OD1-CA 3.3Å; D429-A435 WeakPolarHBondContact OD1-CA 3.48Å; D429-A435 PolarHBondContact OD1-N 2.88Å; D429-S436 PolarHBondContact OD1-N 3.27Å; D429-S436 WeakPolarHBondContact OD2-CB 3.47Å; D429-S436 PolarHBondContact OD2-OG 3.01Å
430V89.4Confident90.6Very high100 Ų10052.6 Ų52.661%0.60628%0.276SS*.G310 helixtrans-54.8-23171.970.50000112.8I7 L427 L428 G432I7-V430 HydrophobicContact CD1-CG1 3.46Å; I7-V430 VanDerWaalsContact CD1-CG1 3.46Å; I7-V430 HydrophobicContact CG1-CG1 3.73Å; L427-V430 WeakPolarHBondContact O-CG1 3.43Å; L428-V430 PolarHBondContact O-N 3.04Å; V430-G432 VanDerWaalsContact C-N 3.29Å; V430-G432 PolarHBondContact O-N 3.38Å
431F89.8Confident89.8Confident18 Ų1854.7 Ų54.78%0.07930%0.3CS..G310 helixtrans-82.5-0.2176-58.8-45000114.3S5 I7 P97 M399 L428 D429S5-F431 WeakPolarHBondContact O-CE1 3.42Å; S5-F431 WeakPolarHBondContact OG-CD1 3.36Å; S5-F431 VanDerWaalsContact OG-CE1 3.24Å; S5-F431 WeakPolarHBondContact OG-CE1 3.35Å; I7-F431 HydrophobicContact CD1-CD2 4.05Å; I7-F431 HydrophobicContact CD1-CE1 4.04Å; I7-F431 HydrophobicContact CD1-CE2 3.28Å; I7-F431 HydrophobicContact CD1-CZ 3.29Å; I7-F431 HydrophobicContact CG1-CE1 4.06Å; I7-F431 HydrophobicContact CG1-CE2 4.1Å; I7-F431 HydrophobicContact CG1-CZ 3.56Å; P97-F431 HydrophobicContact CB-CD1 4.27Å; P97-F431 HydrophobicContact CB-CD2 4.38Å; P97-F431 HydrophobicContact CB-CG 4.16Å; P97-F431 HydrophobicContact CG-CD1 3.53Å; P97-F431 HydrophobicContact CG-CD2 4.43Å; P97-F431 HydrophobicContact CG-CE1 3.62Å; P97-F431 HydrophobicContact CG-CE2 4.48Å; P97-F431 HydrophobicContact CG-CG 3.93Å; P97-F431 HydrophobicContact CG-CZ 4.08Å; M399-F431 HydrophobicContact CE-CB 3.77Å; M399-F431 HydrophobicContact CE-CD2 3.48Å; M399-F431 VanDerWaalsContact CE-CD2 3.48Å; M399-F431 HydrophobicContact CE-CE2 4.45Å; M399-F431 HydrophobicContact CE-CG 4.06Å; M399-F431 HydrophobicContact SD-CD2 4.49Å; L428-F431 HydrophobicContact CD2-CD2 4.46Å; L428-F431 HydrophobicContact CD2-CE2 4.13Å; L428-F431 WeakPolarHBondContact O-CB 3.35Å; L428-F431 WeakPolarHBondContact O-CD2 3.27Å; L428-F431 PolarHBondContact O-N 3.42Å; L428-F431 VanDerWaalsContact O-N 3.12Å; D429-F431 PolarHBondContact O-N 3.25Å
432G87.4Confident89.5Confident67 Ų6756.8 Ų56.869%0.69131%0.305SS*.SBendtrans73.325174.800000114.6D429 V430D429-G432 PolarHBondContact O-N 3.39Å; V430-G432 VanDerWaalsContact C-N 3.29Å; V430-G432 PolarHBondContact O-N 3.38Å
433T86.3Confident89.1Confident23 Ų2356.7 Ų56.714%0.14131%0.306CS..SBendtrans-101.5-4.1-178.3530000114.1M399 E400 Q402 A435M399-T433 HydrophobicContact CB-CG2 4.42Å; M399-T433 HydrophobicContact CE-CG2 4Å; M399-T433 WeakPolarHBondContact CE-OG1 3.47Å; M399-T433 PolarHBondContact O-OG1 3.1Å; E400-T433 HydrophobicContact CG-CG2 4.27Å; Q402-T433 PolarHBondContact NE2-O 3.14Å; T433-A435 VanDerWaalsContact C-N 3.26Å; T433-A435 PolarHBondContact O-N 2.77Å
434E89.6Confident88.8Confident104 Ų10456.5 Ų56.549%0.48631%0.306SS..  trans52.544.5-173.5-51.2-178159.400112.1D429 S436 R437D429-E434 VanDerWaalsContact OD1-C 3.27Å; D429-E434 WeakPolarHBondContact OD1-CA 3.3Å; E434-S436 PolarHBondContact O-N 2.73Å; E434-R437 HydrophobicContact CB-CB 4.12Å; E434-R437 WeakPolarHBondContact O-CB 3.43Å; E434-R437 PolarHBondContact O-N 3.22Å; E434-R437 VanDerWaalsContact O-N 3.16Å; E434-R437 VanDerWaalsContact OE2-CD 3.32Å; E434-R437 WeakPolarHBondContact OE2-CD 2.88Å; E434-R437 IonicContact OE2-CZ 3.88Å; E434-R437 IonicContact OE2-NE 2.88Å; E434-R437 IonicContact OE2-NH1 3.75Å; E434-R437 PolarHBondContact OE2-NH1 3.1Å
435A91.1Very high88.5Confident1 Ų162.2 Ų62.21%0.00833%0.334CS..THydrogen-bonded Turntrans-57.9-36.4-177.800000112.2M399 R425 L428 D429 T433 R437M399-A435 WeakPolarHBondContact O-CA 3.39Å; M399-A435 WeakPolarHBondContact O-CB 3.2Å; R425-A435 HydrophobicContact CB-CB 4.02Å; R425-A435 VanDerWaalsContact CD-O 3.3Å; R425-A435 WeakPolarHBondContact CD-O 2.96Å; R425-A435 HydrophobicContact CG-CB 4.42Å; L428-A435 HydrophobicContact CB-CB 3.99Å; D429-A435 WeakPolarHBondContact OD1-CA 3.48Å; D429-A435 PolarHBondContact OD1-N 2.88Å; T433-A435 VanDerWaalsContact C-N 3.26Å; T433-A435 PolarHBondContact O-N 2.77Å; A435-R437 VanDerWaalsContact C-N 3.32Å; A435-R437 PolarHBondContact O-N 3.15Å
436S91.6Very high88.4Confident30 Ų3062.9 Ų62.921%0.2134%0.338CS..THydrogen-bonded Turntrans-78.8-9.8-17974.20000114.8D429 E434 N438 F439D429-S436 PolarHBondContact OD1-N 3.27Å; D429-S436 WeakPolarHBondContact OD2-CB 3.47Å; D429-S436 PolarHBondContact OD2-OG 3.01Å; E434-S436 PolarHBondContact O-N 2.73Å; S436-N438 VanDerWaalsContact C-N 3.29Å; S436-N438 PolarHBondContact O-N 3.33Å; S436-F439 PolarHBondContact O-N 3.48Å
437R90.2Very high88.3Confident149 Ų14960.1 Ų60.156%0.56233%0.326SS*.THydrogen-bonded Turntrans-48.6-42.5-167.1178.2172.8173.4172.9-0.8115.2E434 A435E434-R437 HydrophobicContact CB-CB 4.12Å; E434-R437 WeakPolarHBondContact O-CB 3.43Å; E434-R437 PolarHBondContact O-N 3.22Å; E434-R437 VanDerWaalsContact O-N 3.16Å; E434-R437 VanDerWaalsContact OE2-CD 3.32Å; E434-R437 WeakPolarHBondContact OE2-CD 2.88Å; E434-R437 IonicContact OE2-CZ 3.88Å; E434-R437 IonicContact OE2-NE 2.88Å; E434-R437 IonicContact OE2-NH1 3.75Å; E434-R437 PolarHBondContact OE2-NH1 3.1Å; A435-R437 VanDerWaalsContact C-N 3.32Å; A435-R437 PolarHBondContact O-N 3.15Å
438N88.6Confident88.2Confident90 Ų9062.5 Ų62.548%0.48134%0.343SS..THydrogen-bonded Turntrans-92.46.3-176.5-71.7-17.8000114.1S436S436-N438 VanDerWaalsContact C-N 3.29Å; S436-N438 PolarHBondContact O-N 3.33Å
439F87.6Confident88Confident34 Ų3471.7 Ų71.715%0.14938%0.378CS..THydrogen-bonded Turntrans-112.817.8-171-67-89.4000114V401 W409 A421 S436 G441 F442V401-F439 HydrophobicContact CB-CE2 4.2Å; V401-F439 HydrophobicContact CG1-CZ 4.47Å; V401-F439 HydrophobicContact CG2-CE2 3.88Å; V401-F439 HydrophobicContact CG2-CZ 4.05Å; W409-F439 HydrophobicContact CH2-CZ 4.02Å; W409-F439 AromaticContact CZ2-CE1 3.93Å; W409-F439 HydrophobicContact CZ2-CE1 3.93Å; W409-F439 AromaticContact CZ2-CZ 3.6Å; W409-F439 HydrophobicContact CZ2-CZ 3.6Å; A421-F439 HydrophobicContact CB-CE1 4.05Å; S436-F439 PolarHBondContact O-N 3.48Å; F439-G441 PolarHBondContact O-N 3.32Å; F439-F442 HydrophobicContact CB-CB 4.33Å; F439-F442 VanDerWaalsContact O-CB 3.3Å; F439-F442 WeakPolarHBondContact O-CB 2.87Å; F439-F442 PolarHBondContact O-N 3.02Å
440K83.1Confident87.9Confident213 Ų21375.5 Ų75.593%0.92639%0.39SS*.THydrogen-bonded Turntrans48.735.9171.3-59.3-176.1178.7-179.80114.8F442K440-F442 VanDerWaalsContact C-N 3.34Å; K440-F442 PolarHBondContact O-N 3.09Å
441G78.1Confident87.7Confident54 Ų5472.2 Ų72.256%0.55737%0.37SS*.THydrogen-bonded Turntrans65.834-177.500000113.7F439 V443F439-G441 PolarHBondContact O-N 3.32Å; G441-V443 PolarHBondContact O-N 2.81Å
442F87.1Confident87.1Confident70 Ų7074.9 Ų74.931%0.30739%0.388SS..  trans-55.7121.6174168.9-96.5000111.1L422 F439 K440 P444L422-F442 HydrophobicContact CB-CZ 4.27Å; L422-F442 HydrophobicContact CD2-CE2 4.12Å; L422-F442 HydrophobicContact CD2-CZ 3.97Å; L422-F442 VanDerWaalsContact O-CE1 3.23Å; L422-F442 WeakPolarHBondContact O-CE1 3.07Å; F439-F442 HydrophobicContact CB-CB 4.33Å; F439-F442 VanDerWaalsContact O-CB 3.3Å; F439-F442 WeakPolarHBondContact O-CB 2.87Å; F439-F442 PolarHBondContact O-N 3.02Å; K440-F442 VanDerWaalsContact C-N 3.34Å; K440-F442 PolarHBondContact O-N 3.09Å; F442-P444 HydrophobicContact CE1-CB 4.05Å; F442-P444 HydrophobicContact CE1-CG 4.49Å; F442-P444 HydrophobicContact CZ-CB 4.04Å
443V86Confident86Confident55 Ų5574.6 Ų74.633%0.33337%0.373SS..  trans-114.8121.9172.7176.10000108.4G441 T457G441-V443 PolarHBondContact O-N 2.81Å; V443-T457 HydrophobicContact CG1-CG2 3.66Å
444P89.3Confident84.4Confident4 Ų481.5 Ų81.53%0.02641%0.407CS..  trans-70.3143.8177.130.5-36.6000111.6T17 N424 F442 L446T17-P444 HydrophobicContact CG2-CB 3.71Å; T17-P444 HydrophobicContact CG2-CG 3.87Å; N424-P444 HydrophobicContact CB-CG 3.9Å; F442-P444 HydrophobicContact CE1-CB 4.05Å; F442-P444 HydrophobicContact CE1-CG 4.49Å; F442-P444 HydrophobicContact CZ-CB 4.04Å; P444-L446 HydrophobicContact CB-CD2 4Å; P444-L446 HydrophobicContact CB-CG 4.19Å; P444-L446 HydrophobicContact CG-CD1 4.15Å; P444-L446 HydrophobicContact CG-CD2 4.11Å; P444-L446 HydrophobicContact CG-CG 4Å; P444-L446 PolarHBondContact O-N 2.66Å
445M87.8Confident82.5Confident121 Ų12178.1 Ų78.160%0.59640%0.395SS*.  trans-79.9106.2168-61.1-177.587.900108.9
446L90.2Very high80.4Confident16 Ų1690.2 Ų90.28%0.08444%0.44CS..  trans-105.4140.3-177.3-59.1175.5000111Y12 E13 T17 P444 P448 T451Y12-L446 HydrophobicContact CD1-CD2 4.3Å; Y12-L446 HydrophobicContact CD2-CD2 4.41Å; Y12-L446 HydrophobicContact CE1-CB 4.05Å; Y12-L446 HydrophobicContact CE1-CD2 3.86Å; Y12-L446 HydrophobicContact CE2-CD2 3.98Å; Y12-L446 WeakPolarHBondContact OH-CA 3.37Å; E13-L446 HydrophobicContact CB-CD1 4.2Å; E13-L446 HydrophobicContact CG-CD1 3.86Å; T17-L446 HydrophobicContact CG2-CD2 4.19Å; P444-L446 HydrophobicContact CB-CD2 4Å; P444-L446 HydrophobicContact CB-CG 4.19Å; P444-L446 HydrophobicContact CG-CD1 4.15Å; P444-L446 HydrophobicContact CG-CD2 4.11Å; P444-L446 HydrophobicContact CG-CG 4Å; P444-L446 PolarHBondContact O-N 2.66Å; L446-P448 VanDerWaalsContact O-CD 3.32Å; L446-P448 WeakPolarHBondContact O-CD 3.29Å; L446-T451 HydrophobicContact CB-CG2 3.87Å; L446-T451 HydrophobicContact CD1-CG2 4.24Å
447D88.9Confident78.5Confident41 Ų4189.5 Ų89.522%0.21943%0.434CS..  trans-73.3116.5171.2-178.1-20.3000109.5Y12 R449 Y450Y12-D447 PolarHBondContact OH-N 3.29Å; D447-R449 PolarHBondContact O-N 3.33Å; D447-R449 VanDerWaalsContact OD1-CB 3.3Å; D447-R449 WeakPolarHBondContact OD1-CB 3.38Å; D447-R449 WeakPolarHBondContact OD1-CG 3.19Å; D447-R449 PolarHBondContact OD1-N 2.91Å; D447-R449 IonicContact OD1-NE 3.54Å; D447-R449 PolarHBondContact OD1-NE 3.42Å; D447-R449 VanDerWaalsContact OD1-NE 3.14Å; D447-R449 IonicContact OD2-CZ 3.14Å; D447-R449 IonicContact OD2-NE 2.72Å; D447-R449 PolarHBondContact OD2-NE 2.65Å; D447-R449 VanDerWaalsContact OD2-NE 3.11Å; D447-R449 IonicContact OD2-NH2 3.33Å; D447-R449 PolarHBondContact OD2-NH2 3.19Å; D447-Y450 HydrophobicContact CB-CD2 3.92Å; D447-Y450 PolarHBondContact O-N 2.98Å; D447-Y450 WeakPolarHBondContact OD2-CE2 3.39Å
448P87Confident76.4Confident77 Ų7784.9 Ų84.950%0.542%0.423SS..G310 helixtrans-58-23.4-176.4-25.235.3000114.2L446 Y450 T451 V458L446-P448 VanDerWaalsContact O-CD 3.32Å; L446-P448 WeakPolarHBondContact O-CD 3.29Å; P448-Y450 PolarHBondContact O-N 2.79Å; P448-T451 PolarHBondContact O-N 2.78Å; P448-T451 PolarHBondContact O-OG1 3.48Å; P448-V458 HydrophobicContact CG-CG1 3.9Å
449R88.6Confident74.3Confident194 Ų19486 Ų8673%0.73243%0.428SS*.G310 helixtrans-65.7-20177.9-63.5178.5-68.5-179-0.5113.1D447D447-R449 PolarHBondContact O-N 3.33Å; D447-R449 VanDerWaalsContact OD1-CB 3.3Å; D447-R449 WeakPolarHBondContact OD1-CB 3.38Å; D447-R449 WeakPolarHBondContact OD1-CG 3.19Å; D447-R449 PolarHBondContact OD1-N 2.91Å; D447-R449 IonicContact OD1-NE 3.54Å; D447-R449 PolarHBondContact OD1-NE 3.42Å; D447-R449 VanDerWaalsContact OD1-NE 3.14Å; D447-R449 IonicContact OD2-CZ 3.14Å; D447-R449 IonicContact OD2-NE 2.72Å; D447-R449 PolarHBondContact OD2-NE 2.65Å; D447-R449 VanDerWaalsContact OD2-NE 3.11Å; D447-R449 IonicContact OD2-NH2 3.33Å; D447-R449 PolarHBondContact OD2-NH2 3.19Å
450Y87.9Confident71.9Confident124 Ų12488.8 Ų88.849%0.48645%0.45SS..G310 helixtrans-116.89.4-176.2-57.6-79000113.2P20 D447 P448P20-Y450 HydrophobicContact CB-CD1 3.93Å; P20-Y450 HydrophobicContact CB-CD2 3.76Å; P20-Y450 HydrophobicContact CB-CE1 4.42Å; P20-Y450 HydrophobicContact CB-CE2 4.26Å; P20-Y450 HydrophobicContact CB-CG 3.56Å; P20-Y450 HydrophobicContact CG-CD2 3.89Å; P20-Y450 HydrophobicContact CG-CE2 3.97Å; P20-Y450 HydrophobicContact CG-CG 4.19Å; D447-Y450 HydrophobicContact CB-CD2 3.92Å; D447-Y450 PolarHBondContact O-N 2.98Å; D447-Y450 WeakPolarHBondContact OD2-CE2 3.39Å; P448-Y450 PolarHBondContact O-N 2.79Å
451T86Confident69.6Low32 Ų3285.3 Ų85.320%0.19645%0.449CS..  trans-93.3140.917854.50000111.6E13 L446 P448E13-T451 HydrophobicContact CG-CG2 4.06Å; L446-T451 HydrophobicContact CB-CG2 3.87Å; L446-T451 HydrophobicContact CD1-CG2 4.24Å; P448-T451 PolarHBondContact O-N 2.78Å; P448-T451 PolarHBondContact O-OG1 3.48Å
452T75.8Confident67.8Low73 Ų7386.5 Ų86.545%0.44846%0.461SS..SBendtrans-91.1-20.8-177.553.90000113.9P8 S10 E13P8-T452 PolarHBondContact O-OG1 3.2Å; S10-T452 PolarHBondContact N-OG1 3.48Å; E13-T452 PolarHBondContact OE1-N 3.17Å; E13-T452 PolarHBondContact OE1-OG1 2.72Å; E13-T452 PolarHBondContact OE2-N 3.12Å; E13-T452 PolarHBondContact OE2-OG1 3.41Å
453V64.9Low65.4Low62 Ų6284.7 Ų84.738%0.37646%0.462SS..SBendtrans-134.7132.6178.3-176.10000108.2S455V453-S455 PolarHBondContact O-N 3.37Å
454I53.3Low62.9Low167 Ų16790 Ų9086%0.85649%0.489SS*.  trans-69.985.7171-56.1173.5000107.2
455S49.3Very low60.4Low34 Ų3493.7 Ų93.724%0.23852%0.52CS..  trans-94.1157.7176.6-171.10000110.3V453 T457 V458V453-S455 PolarHBondContact O-N 3.37Å; S455-T457 PolarHBondContact O-N 3.27Å; S455-V458 PolarHBondContact O-N 3.39Å
456R48Very low57.7Low254 Ų25497.9 Ų97.996%0.95853%0.534SS*.THydrogen-bonded Turntrans-54.4-9.1176.2-84.2-178173.5175.9-2.2114.5V458R456-V458 PolarHBondContact O-N 2.96Å
457T49.8Very low54.9Low15 Ų15105.8 Ų105.89%0.09258%0.576CS.*THydrogen-bonded Turntrans-76.10.8178.549.20000114.8V443 S455 L459V443-T457 HydrophobicContact CG1-CG2 3.66Å; S455-T457 PolarHBondContact O-N 3.27Å; T457-L459 PolarHBondContact O-N 3.31Å
458V47.4Very low52.2Low53 Ų53111 Ų11132%0.32164%0.639SS.*  trans-87.293.9170.1-175.30000108.6P448 S455 R456P448-V458 HydrophobicContact CG-CG1 3.9Å; S455-V458 PolarHBondContact O-N 3.39Å; R456-V458 PolarHBondContact O-N 2.96Å
459L44.4Very low50.5Low112 Ų112112.7 Ų112.759%0.58665%0.646SS**PPolyproline II helixtrans-66.2134.6161.6-87.2163.3000108.3T457T457-L459 PolarHBondContact O-N 3.31Å
460P36.8Very low48.5Very low93 Ų93108.4 Ų108.460%0.60464%0.642SS**PPolyproline II helixtrans-60.8154.7174.725.4-31.5000110.4G462P460-G462 PolarHBondContact O-N 2.94Å; P460-G462 VanDerWaalsContact O-N 3.08Å
461P35.8Very low46.3Very low141 Ų141107.6 Ų107.692%0.91665%0.65SS**THydrogen-bonded Turntrans-60.2116.5-177.624-31.4000110.1
462G40.3Very low44Very low78 Ų78112 Ų11280%0.80468%0.677SS**THydrogen-bonded Turntrans135.40.3176.700000117.2P460 D464P460-G462 PolarHBondContact O-N 2.94Å; P460-G462 VanDerWaalsContact O-N 3.08Å; G462-D464 PolarHBondContact O-N 3.45Å
463G35.8Very low42Very low32 Ų32114.4 Ų114.433%0.3369%0.691SS.*  trans-88.6101.3177.900000113.6A465G463-A465 PolarHBondContact O-N 3.3Å
464D33.2Very low40.4Very low167 Ų167117.9 Ų117.989%0.89371%0.712SS**  trans-68.8120.5171.7-75.3-30000111.5G462G462-D464 PolarHBondContact O-N 3.45Å
465A36.9Very low39.5Very low82 Ų82114.4 Ų114.468%0.67870%0.702SS**  trans-102.4110.7166.600000110G463 L467G463-A465 PolarHBondContact O-N 3.3Å; A465-L467 PolarHBondContact O-N 3.14Å
466K31.2Very low38.8Very low208 Ų208120.6 Ų120.690%0.90474%0.738SS**  trans-68.4115.6169-75.1-177.2177.8177.40109.6G468K466-G468 PolarHBondContact O-N 3.44Å
467L30.9Very low38Very low183 Ų183109.5 Ų109.596%0.95872%0.719SS**  trans-66112.7163.3-77.7153.3000108.6A465A465-L467 PolarHBondContact O-N 3.14Å
468G33.6Very low36.9Very low150 Ų150118.1 Ų118.1100%1.54678%0.776SS**  trans-115.30172.200000111.6K466K466-G468 PolarHBondContact O-N 3.44Å

Retrieved 468 of 468 residues in 170.7 ms (Link to these results)

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