A0A077ZQ55_TRITR Loading...

Autophagy-related protein 9

Phospholipid scramblase involved in autophagy. Cycles between the preautophagosomal structure/phagophore assembly site (PAS) and the cytoplasmic vesicle pool and supplies membrane for the growing autophagosome. Lipid scramblase activity plays a key role in preautophagosomal structure/phagophore assembly by distributing the phospholipids that arrive through ATG2 from the cytoplasmic to the luminal leaflet of the bilayer, thereby driving autophagosomal membrane expansion.

AlphaFold DB , UniProt , Accession A0A077ZQ55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1M61.2Low71.4Confident189 Ų18978.5 Ų78.593%0.93140%0.397SS*.  0-53.50-158.6174.9-179.600112.4M3 N4 T5M1-M3 PolarHBondContact O-N 3.17Å; M1-N4 PolarHBondContact O-N 3.41Å; M1-N4 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-N 2.82Å
2M73.7Confident71.1Confident156 Ų15682.3 Ų82.377%0.76841%0.405SS*.Hα-helixtrans-53.7-45.9-174-61.2-58.416600115.6N4 T5 V6M2-N4 VanDerWaalsContact C-N 3.29Å; M2-N4 PolarHBondContact O-N 3.25Å; M2-T5 WeakPolarHBondContact O-CB 3.41Å; M2-T5 PolarHBondContact O-N 2.9Å; M2-T5 VanDerWaalsContact O-N 3.15Å; M2-V6 PolarHBondContact O-N 3.14Å; M2-V6 VanDerWaalsContact O-N 3.16Å
3M74.8Confident71.2Confident33 Ų3377.1 Ų77.116%0.16338%0.38CS..Hα-helixtrans-63.4-34.7-178.8-167.8-166.1162.800112.7M1 T5 V6 L7 L13 W17 R18 A21M1-M3 PolarHBondContact O-N 3.17Å; M3-T5 VanDerWaalsContact C-N 3.31Å; M3-T5 PolarHBondContact O-N 2.86Å; M3-V6 PolarHBondContact O-N 3.08Å; M3-L7 WeakPolarHBondContact O-CB 3.44Å; M3-L7 PolarHBondContact O-N 3.11Å; M3-L13 HydrophobicContact CE-CD2 3.51Å; M3-L13 HydrophobicContact CG-CD2 4.38Å; M3-W17 VanDerWaalsContact CE-C 3.44Å; M3-W17 HydrophobicContact CE-CB 3.32Å; M3-W17 HydrophobicContact CE-CE3 4.46Å; M3-W17 HydrophobicContact CE-CG 4.5Å; M3-W17 HydrophobicContact SD-CB 4.47Å; M3-W17 VanDerWaalsContact SD-O 3.37Å; M3-R18 HydrophobicContact CE-CG 4.25Å; M3-A21 HydrophobicContact CB-CB 4.24Å; M3-A21 HydrophobicContact CG-CB 4.43Å; M3-A21 HydrophobicContact SD-CB 3.35Å; M3-A21 WeakPolarHBondContact SD-CB 3.21Å
4N69.6Low71.6Confident101 Ų10175.9 Ų75.954%0.5438%0.38SS..Hα-helixtrans-68.7-33.2177.7-68.5-7000111.5M1 M2 A8M1-N4 PolarHBondContact O-N 3.41Å; M1-N4 VanDerWaalsContact O-N 3.13Å; M2-N4 VanDerWaalsContact C-N 3.29Å; M2-N4 PolarHBondContact O-N 3.25Å; N4-A8 PolarHBondContact O-N 3.5Å
5T76.2Confident71.4Confident69 Ų6974.2 Ų74.242%0.42338%0.379SS..Hα-helixtrans-65.2-47.9173.3-52.10000110.8M1 M2 M3 L7 A8 Y9M1-T5 PolarHBondContact O-N 2.82Å; M2-T5 WeakPolarHBondContact O-CB 3.41Å; M2-T5 PolarHBondContact O-N 2.9Å; M2-T5 VanDerWaalsContact O-N 3.15Å; M3-T5 VanDerWaalsContact C-N 3.31Å; M3-T5 PolarHBondContact O-N 2.86Å; T5-L7 VanDerWaalsContact C-N 3.29Å; T5-L7 PolarHBondContact O-N 2.94Å; T5-A8 WeakPolarHBondContact O-CB 3.45Å; T5-A8 PolarHBondContact O-N 3.33Å; T5-A8 VanDerWaalsContact O-N 3.16Å; T5-Y9 HydrophobicContact CG2-CD2 4.4Å; T5-Y9 HydrophobicContact CG2-CE2 4Å; T5-Y9 VanDerWaalsContact O-CD2 3.22Å; T5-Y9 WeakPolarHBondContact O-CD2 3.3Å
6V76.8Confident71.8Confident41 Ų4172.8 Ų72.825%0.24838%0.377CS..Hα-helixtrans-59.7-42.6177.6176.60000111.4M2 M3 A8 Y9 V10 F30M2-V6 PolarHBondContact O-N 3.14Å; M2-V6 VanDerWaalsContact O-N 3.16Å; M3-V6 PolarHBondContact O-N 3.08Å; V6-A8 VanDerWaalsContact C-N 3.27Å; V6-A8 PolarHBondContact O-N 2.99Å; V6-Y9 PolarHBondContact O-N 3.02Å; V6-V10 HydrophobicContact CG1-CG2 3.94Å; V6-V10 PolarHBondContact O-N 2.97Å; V6-F30 HydrophobicContact CG1-CE2 3.9Å; V6-F30 HydrophobicContact CG1-CZ 3.96Å
7L70.8Confident72.1Confident12 Ų1269.1 Ų69.16%0.06336%0.358CS..Hα-helixtrans-58-37.3177.1168.874.2000113.2M3 T5 Y9 H11 L13 R18 L258M3-L7 WeakPolarHBondContact O-CB 3.44Å; M3-L7 PolarHBondContact O-N 3.11Å; T5-L7 VanDerWaalsContact C-N 3.29Å; T5-L7 PolarHBondContact O-N 2.94Å; L7-Y9 PolarHBondContact O-N 2.98Å; L7-H11 PolarHBondContact O-N 2.95Å; L7-L13 HydrophobicContact CB-CD1 4.12Å; L7-L13 HydrophobicContact CB-CD2 4.27Å; L7-L13 HydrophobicContact CD1-CB 4.03Å; L7-L13 HydrophobicContact CD1-CD1 3.77Å; L7-L13 HydrophobicContact CD1-CD2 4.45Å; L7-L13 HydrophobicContact CD1-CG 4.3Å; L7-R18 VanDerWaalsContact CD2-CZ 3.42Å; L7-R18 VanDerWaalsContact CD2-NH2 3.3Å; L7-L258 HydrophobicContact CD1-CD2 4.49Å; L7-L258 HydrophobicContact CD2-CD2 4.13Å; L7-L258 HydrophobicContact CG-CD2 3.97Å
8A67.7Low71.9Confident14 Ų1468.3 Ų68.312%0.11635%0.349CS..Hα-helixtrans-66.2-23.117700000113.2N4 T5 V6 H11 L250N4-A8 PolarHBondContact O-N 3.5Å; T5-A8 WeakPolarHBondContact O-CB 3.45Å; T5-A8 PolarHBondContact O-N 3.33Å; T5-A8 VanDerWaalsContact O-N 3.16Å; V6-A8 VanDerWaalsContact C-N 3.27Å; V6-A8 PolarHBondContact O-N 2.99Å; A8-H11 PolarHBondContact O-CE1 3.43Å; A8-L250 HydrophobicContact CB-CD2 3.83Å
9Y72.5Confident72Confident155 Ų15571.2 Ų71.261%0.60836%0.364SS*.Hα-helixtrans-96.4-36.9178.8-73.1-75.5000113.8T5 V6 L7 H11T5-Y9 HydrophobicContact CG2-CD2 4.4Å; T5-Y9 HydrophobicContact CG2-CE2 4Å; T5-Y9 VanDerWaalsContact O-CD2 3.22Å; T5-Y9 WeakPolarHBondContact O-CD2 3.3Å; V6-Y9 PolarHBondContact O-N 3.02Å; L7-Y9 PolarHBondContact O-N 2.98Å; Y9-H11 PolarHBondContact O-CD2 3.33Å
10V73.7Confident72.3Confident56 Ų5672.2 Ų72.234%0.33937%0.367SS..Hα-helixtrans-91-22.1-169.9178.40000113V6 Y12 L13 Y34V6-V10 HydrophobicContact CG1-CG2 3.94Å; V6-V10 PolarHBondContact O-N 2.97Å; V10-Y12 WeakPolarHBondContact O-CD2 3.38Å; V10-Y12 PolarHBondContact O-N 3.34Å; V10-L13 HydrophobicContact CB-CD1 4.04Å; V10-L13 HydrophobicContact CG1-CD1 4.27Å; V10-Y34 WeakPolarHBondContact CG2-OH 3.38Å
11H68.1Low72.5Confident37 Ų3771.1 Ų71.117%0.17137%0.369CS..  trans60.5-15.5-179.2-60.8-70000117.2L7 A8 Y9 N254 I257L7-H11 PolarHBondContact O-N 2.95Å; A8-H11 PolarHBondContact O-CE1 3.43Å; Y9-H11 PolarHBondContact O-CD2 3.33Å; H11-N254 PolarHBondContact CE1-OD1 3.19Å; H11-N254 PolarHBondContact NE2-OD1 2.97Å; H11-N254 VanDerWaalsContact NE2-OD1 3.13Å; H11-I257 HydrophobicContact CB-CD1 4.49Å; H11-I257 HydrophobicContact CB-CG2 4.06Å
12Y68.7Low73.4Confident125 Ų12570.1 Ų70.149%0.4936%0.362SS..  trans-12292.7-178.2-67-78.6000110.6V10 K119 M122V10-Y12 WeakPolarHBondContact O-CD2 3.38Å; V10-Y12 PolarHBondContact O-N 3.34Å; Y12-K119 HydrophobicContact CE1-CG 4.37Å; Y12-M122 HydrophobicContact CD1-SD 4.23Å; Y12-M122 HydrophobicContact CE1-SD 3.77Å
13L71.9Confident74Confident14 Ų1464.4 Ų64.47%0.07334%0.337CS..  trans-130136.1167.9-7581000109.7M3 L7 V10 S15 W17M3-L13 HydrophobicContact CE-CD2 3.51Å; M3-L13 HydrophobicContact CG-CD2 4.38Å; L7-L13 HydrophobicContact CB-CD1 4.12Å; L7-L13 HydrophobicContact CB-CD2 4.27Å; L7-L13 HydrophobicContact CD1-CB 4.03Å; L7-L13 HydrophobicContact CD1-CD1 3.77Å; L7-L13 HydrophobicContact CD1-CD2 4.45Å; L7-L13 HydrophobicContact CD1-CG 4.3Å; V10-L13 HydrophobicContact CB-CD1 4.04Å; V10-L13 HydrophobicContact CG1-CD1 4.27Å; L13-S15 PolarHBondContact O-N 3.12Å; L13-W17 HydrophobicContact CB-CE3 4.38Å; L13-W17 HydrophobicContact CD2-CE3 4.11Å; L13-W17 HydrophobicContact CG-CE3 4.26Å; L13-W17 HydrophobicContact CG-CZ3 4.46Å
14P76.2Confident74.5Confident60 Ų6067.9 Ų67.939%0.3935%0.353SS..  trans-54.3138.8171.9-25.434.1000111.9S16 W17P14-S16 PolarHBondContact O-N 2.77Å; P14-W17 HydrophobicContact CB-CD2 4.38Å; P14-W17 HydrophobicContact CB-CG 4.2Å; P14-W17 HydrophobicContact CG-CD2 4.06Å; P14-W17 HydrophobicContact CG-CG 4.4Å; P14-W17 HydrophobicContact CG-CZ2 4.09Å; P14-W17 WeakPolarHBondContact O-CB 3.49Å; P14-W17 PolarHBondContact O-N 3.05Å; P14-W17 VanDerWaalsContact O-N 3.09Å
15S69.2Low75.4Confident51 Ų5168.2 Ų68.236%0.35735%0.347SS..Hα-helixtrans-59.8-30.4-179.2570000113.1L13 W17 R18L13-S15 PolarHBondContact O-N 3.12Å; S15-W17 VanDerWaalsContact C-N 3.25Å; S15-W17 PolarHBondContact O-N 2.92Å; S15-R18 PolarHBondContact O-N 2.97Å
16S77.4Confident75.9Confident51 Ų5165.2 Ų65.236%0.35733%0.329SS..Hα-helixtrans-62.3-29.8177.156.60000113.3P14 R18P14-S16 PolarHBondContact O-N 2.77Å; S16-R18 PolarHBondContact O-N 3.45Å
17W77.1Confident76.4Confident11 Ų1169.4 Ų69.44%0.04234%0.34CS..Hα-helixtrans-71.4-31.1-175-67.95.6000112.9M3 L13 P14 S15 I19 Q20 A21 W25 V26 E29 F30 F33M3-W17 VanDerWaalsContact CE-C 3.44Å; M3-W17 HydrophobicContact CE-CB 3.32Å; M3-W17 HydrophobicContact CE-CE3 4.46Å; M3-W17 HydrophobicContact CE-CG 4.5Å; M3-W17 HydrophobicContact SD-CB 4.47Å; M3-W17 VanDerWaalsContact SD-O 3.37Å; L13-W17 HydrophobicContact CB-CE3 4.38Å; L13-W17 HydrophobicContact CD2-CE3 4.11Å; L13-W17 HydrophobicContact CG-CE3 4.26Å; L13-W17 HydrophobicContact CG-CZ3 4.46Å; P14-W17 HydrophobicContact CB-CD2 4.38Å; P14-W17 HydrophobicContact CB-CG 4.2Å; P14-W17 HydrophobicContact CG-CD2 4.06Å; P14-W17 HydrophobicContact CG-CG 4.4Å; P14-W17 HydrophobicContact CG-CZ2 4.09Å; P14-W17 WeakPolarHBondContact O-CB 3.49Å; P14-W17 PolarHBondContact O-N 3.05Å; P14-W17 VanDerWaalsContact O-N 3.09Å; S15-W17 VanDerWaalsContact C-N 3.25Å; S15-W17 PolarHBondContact O-N 2.92Å; W17-I19 VanDerWaalsContact C-N 3.32Å; W17-I19 PolarHBondContact O-N 3.44Å; W17-Q20 CarbonylContact O-C 3.34Å; W17-Q20 PolarHBondContact O-N 3.11Å; W17-A21 WeakPolarHBondContact O-CA 3.4Å; W17-A21 PolarHBondContact O-N 2.89Å; W17-W25 AromaticContact CD1-CZ3 3.79Å; W17-W25 AromaticContact NE1-CH2 3.94Å; W17-W25 AromaticContact NE1-CZ3 3.77Å; W17-V26 HydrophobicContact CB-CG1 3.81Å; W17-V26 HydrophobicContact CB-CG2 4.28Å; W17-V26 HydrophobicContact CD2-CG1 3.92Å; W17-V26 HydrophobicContact CE3-CG1 4.33Å; W17-V26 HydrophobicContact CG-CG1 3.71Å; W17-V26 HydrophobicContact CG-CG2 4.13Å; W17-E29 HydrophobicContact CH2-CB 4.43Å; W17-E29 HydrophobicContact CZ2-CB 3.6Å; W17-E29 HydrophobicContact CZ2-CG 3.76Å; W17-F30 HydrophobicContact CE3-CD2 4.48Å; W17-F30 HydrophobicContact CH2-CB 4.34Å; W17-F30 HydrophobicContact CH2-CD2 4.47Å; W17-F30 HydrophobicContact CZ3-CB 4.28Å; W17-F30 AromaticContact CZ3-CD2 3.79Å; W17-F30 HydrophobicContact CZ3-CD2 3.79Å; W17-F33 AromaticContact CH2-CD2 3.82Å; W17-F33 HydrophobicContact CH2-CD2 3.82Å; W17-F33 AromaticContact CH2-CE2 3.49Å; W17-F33 HydrophobicContact CH2-CE2 3.49Å; W17-F33 VanDerWaalsContact CH2-CE2 3.49Å; W17-F33 HydrophobicContact CH2-CZ 4.47Å; W17-F33 HydrophobicContact CZ2-CE2 4.12Å
18R68.4Low77.1Confident54 Ų5475.4 Ų75.420%0.20436%0.362CS..Hα-helixtrans-64.9-36.8-176.8-72.3-165-168.4170.20.5112.2M3 L7 S15 S16 H261 E262M3-R18 HydrophobicContact CE-CG 4.25Å; L7-R18 VanDerWaalsContact CD2-CZ 3.42Å; L7-R18 VanDerWaalsContact CD2-NH2 3.3Å; S15-R18 PolarHBondContact O-N 2.97Å; S16-R18 PolarHBondContact O-N 3.45Å; R18-H261 PolarHBondContact NH2-ND1 3.39Å; R18-H261 VanDerWaalsContact NH2-ND1 3.13Å; R18-E262 IonicContact NH1-OE2 2.65Å; R18-E262 PolarHBondContact NH1-OE2 3.44Å
19I74.1Confident78.1Confident123 Ų12377 Ų7763%0.63137%0.367SS*.Hα-helixtrans-75.3-33.8-179.3-56.6172.3000110.1W17W17-I19 VanDerWaalsContact C-N 3.32Å; W17-I19 PolarHBondContact O-N 3.44Å
20Q78.7Confident78.7Confident91 Ų9172.5 Ų72.543%0.42535%0.35SS..THydrogen-bonded Turntrans-11133.9-174.7-64.2-176.6-17.600112.7W17 H22 S23 V26W17-Q20 CarbonylContact O-C 3.34Å; W17-Q20 PolarHBondContact O-N 3.11Å; Q20-H22 PolarHBondContact O-N 3.35Å; Q20-S23 WeakPolarHBondContact O-CB 3.35Å; Q20-S23 PolarHBondContact O-N 2.94Å; Q20-V26 HydrophobicContact CB-CG2 3.93Å; Q20-V26 WeakPolarHBondContact O-CG2 3.42Å
21A75.6Confident79.2Confident50 Ų5071.8 Ų71.841%0.41335%0.348SS..THydrogen-bonded Turntrans-57.9-25.8-174.500000114.2M3 W17M3-A21 HydrophobicContact CB-CB 4.24Å; M3-A21 HydrophobicContact CG-CB 4.43Å; M3-A21 HydrophobicContact SD-CB 3.35Å; M3-A21 WeakPolarHBondContact SD-CB 3.21Å; W17-A21 WeakPolarHBondContact O-CA 3.4Å; W17-A21 PolarHBondContact O-N 2.89Å
22H80.4Confident80Confident169 Ų16977.5 Ų77.578%0.78237%0.368SS*.THydrogen-bonded Turntrans-90.5-2.8178.662.4-86.6000113.2Q20Q20-H22 PolarHBondContact O-N 3.35Å
23S86.3Confident80.7Confident35 Ų3578.6 Ų78.625%0.24538%0.376CS..  trans-77.2134.5-177.8-178.40000111.1Q20 W25 V26 R27Q20-S23 WeakPolarHBondContact O-CB 3.35Å; Q20-S23 PolarHBondContact O-N 2.94Å; S23-W25 PolarHBondContact O-N 3.28Å; S23-W25 PolarHBondContact OG-N 3.37Å; S23-V26 PolarHBondContact O-N 2.83Å; S23-V26 VanDerWaalsContact O-N 3.08Å; S23-R27 PolarHBondContact O-N 2.92Å
24E86Confident81.2Confident107 Ų10784 Ų8450%0.540%0.396SS..Hα-helixtrans-56.4-28.9171.8-73.1-62.1132.300112.6R27 R28E24-R27 PolarHBondContact O-N 3.1Å; E24-R27 IonicContact OE1-NE 3.44Å; E24-R27 PolarHBondContact OE1-NE 3.42Å; E24-R27 IonicContact OE2-CZ 3.13Å; E24-R27 IonicContact OE2-NE 2.79Å; E24-R27 PolarHBondContact OE2-NE 2.9Å; E24-R27 IonicContact OE2-NH2 2.9Å; E24-R27 PolarHBondContact OE2-NH2 3.11Å; E24-R28 WeakPolarHBondContact O-CB 3.24Å; E24-R28 PolarHBondContact O-N 2.91Å
25W88.6Confident81.6Confident107 Ų10785.6 Ų85.641%0.40540%0.398SS..Hα-helixtrans-64.9-49.9174.5179.178.5000111.4W17 S23 R27 R28 E29W17-W25 AromaticContact CD1-CZ3 3.79Å; W17-W25 AromaticContact NE1-CH2 3.94Å; W17-W25 AromaticContact NE1-CZ3 3.77Å; S23-W25 PolarHBondContact O-N 3.28Å; S23-W25 PolarHBondContact OG-N 3.37Å; W25-R27 VanDerWaalsContact C-N 3.3Å; W25-R27 PolarHBondContact O-N 3.48Å; W25-R28 PolarHBondContact O-N 2.84Å; W25-E29 HydrophobicContact CZ2-CG 4.5Å; W25-E29 PolarHBondContact O-N 3.32Å
26V86.9Confident82.5Confident7 Ų791 Ų914%0.04241%0.412CS..Hα-helixtrans-61-41.6176175.40000110.3W17 Q20 S23 R28 E29 F30W17-V26 HydrophobicContact CB-CG1 3.81Å; W17-V26 HydrophobicContact CB-CG2 4.28Å; W17-V26 HydrophobicContact CD2-CG1 3.92Å; W17-V26 HydrophobicContact CE3-CG1 4.33Å; W17-V26 HydrophobicContact CG-CG1 3.71Å; W17-V26 HydrophobicContact CG-CG2 4.13Å; Q20-V26 HydrophobicContact CB-CG2 3.93Å; Q20-V26 WeakPolarHBondContact O-CG2 3.42Å; S23-V26 PolarHBondContact O-N 2.83Å; S23-V26 VanDerWaalsContact O-N 3.08Å; V26-R28 PolarHBondContact O-N 3.1Å; V26-E29 PolarHBondContact O-N 3.05Å; V26-F30 WeakPolarHBondContact O-CB 3.43Å; V26-F30 PolarHBondContact O-N 3.46Å
27R85.5Confident83Confident128 Ų12898.6 Ų98.648%0.48343%0.433SS..Hα-helixtrans-59.5-43.2175.8-170.8-17668.577.9-1.2112.2S23 E24 W25 S31S23-R27 PolarHBondContact O-N 2.92Å; E24-R27 PolarHBondContact O-N 3.1Å; E24-R27 IonicContact OE1-NE 3.44Å; E24-R27 PolarHBondContact OE1-NE 3.42Å; E24-R27 IonicContact OE2-CZ 3.13Å; E24-R27 IonicContact OE2-NE 2.79Å; E24-R27 PolarHBondContact OE2-NE 2.9Å; E24-R27 IonicContact OE2-NH2 2.9Å; E24-R27 PolarHBondContact OE2-NH2 3.11Å; W25-R27 VanDerWaalsContact C-N 3.3Å; W25-R27 PolarHBondContact O-N 3.48Å; R27-S31 VanDerWaalsContact O-CB 3.32Å; R27-S31 WeakPolarHBondContact O-CB 3.42Å; R27-S31 PolarHBondContact O-N 3.47Å
28R86.5Confident83.7Confident139 Ų139104.7 Ų104.753%0.52546%0.46SS..Hα-helixtrans-66.3-46.1178.4-170.2-175.4-59.3134.53111.4E24 W25 V26 F30 S31 R32E24-R28 WeakPolarHBondContact O-CB 3.24Å; E24-R28 PolarHBondContact O-N 2.91Å; W25-R28 PolarHBondContact O-N 2.84Å; V26-R28 PolarHBondContact O-N 3.1Å; R28-F30 VanDerWaalsContact C-N 3.35Å; R28-S31 PolarHBondContact O-N 3.41Å; R28-S31 PolarHBondContact O-OG 3.48Å; R28-R32 PolarHBondContact O-N 3.16Å
29E87.3Confident84.8Confident47 Ų47104.8 Ų104.822%0.2247%0.467CS..Hα-helixtrans-62.6-43.8177.3-136.175.1-167.500110.9W17 W25 V26 S31 R32 F33W17-E29 HydrophobicContact CH2-CB 4.43Å; W17-E29 HydrophobicContact CZ2-CB 3.6Å; W17-E29 HydrophobicContact CZ2-CG 3.76Å; W25-E29 HydrophobicContact CZ2-CG 4.5Å; W25-E29 PolarHBondContact O-N 3.32Å; V26-E29 PolarHBondContact O-N 3.05Å; E29-S31 PolarHBondContact O-N 2.82Å; E29-R32 WeakPolarHBondContact O-CB 3.3Å; E29-R32 PolarHBondContact O-N 2.8Å; E29-R32 IonicContact OE1-NH1 3.79Å; E29-R32 PolarHBondContact OE1-NH1 2.81Å; E29-R32 IonicContact OE2-NH1 3.17Å; E29-F33 WeakPolarHBondContact O-CD2 3.44Å
30F86.1Confident85.6Confident60 Ų60104 Ų10426%0.26346%0.458SS..Hα-helixtrans-63.1-38.6175.4-175.1-99.3000112.5V6 W17 V26 R28 R32 F33 Y34V6-F30 HydrophobicContact CG1-CE2 3.9Å; V6-F30 HydrophobicContact CG1-CZ 3.96Å; W17-F30 HydrophobicContact CE3-CD2 4.48Å; W17-F30 HydrophobicContact CH2-CB 4.34Å; W17-F30 HydrophobicContact CH2-CD2 4.47Å; W17-F30 HydrophobicContact CZ3-CB 4.28Å; W17-F30 AromaticContact CZ3-CD2 3.79Å; W17-F30 HydrophobicContact CZ3-CD2 3.79Å; V26-F30 WeakPolarHBondContact O-CB 3.43Å; V26-F30 PolarHBondContact O-N 3.46Å; R28-F30 VanDerWaalsContact C-N 3.35Å; F30-R32 PolarHBondContact O-N 3.35Å; F30-F33 WeakPolarHBondContact O-CB 3.31Å; F30-F33 PolarHBondContact O-N 3.39Å; F30-Y34 HydrophobicContact CD1-CD2 4.09Å; F30-Y34 HydrophobicContact CD2-CD2 4.36Å; F30-Y34 HydrophobicContact CD2-CE2 4.4Å; F30-Y34 AromaticContact CE1-CD2 3.45Å; F30-Y34 HydrophobicContact CE1-CD2 3.45Å; F30-Y34 VanDerWaalsContact CE1-CD2 3.45Å; F30-Y34 AromaticContact CE1-CE2 3.9Å; F30-Y34 HydrophobicContact CE1-CE2 3.9Å; F30-Y34 HydrophobicContact CE1-CG 4.25Å; F30-Y34 AromaticContact CE2-CD2 3.77Å; F30-Y34 HydrophobicContact CE2-CD2 3.77Å; F30-Y34 AromaticContact CE2-CE2 3.49Å; F30-Y34 HydrophobicContact CE2-CE2 3.49Å; F30-Y34 VanDerWaalsContact CE2-CE2 3.49Å; F30-Y34 AromaticContact CZ-CD2 3.27Å; F30-Y34 HydrophobicContact CZ-CD2 3.27Å; F30-Y34 AromaticContact CZ-CE2 3.18Å; F30-Y34 HydrophobicContact CZ-CE2 3.18Å; F30-Y34 HydrophobicContact CZ-CG 4.33Å; F30-Y34 PolarHBondContact O-N 3.38Å
31S85.2Confident86.3Confident42 Ų42103.9 Ų103.929%0.29446%0.46SS..Hα-helixtrans-63.8-18.8178.272.90000113.9R27 R28 E29 F33 Y34 Q35R27-S31 VanDerWaalsContact O-CB 3.32Å; R27-S31 WeakPolarHBondContact O-CB 3.42Å; R27-S31 PolarHBondContact O-N 3.47Å; R28-S31 PolarHBondContact O-N 3.41Å; R28-S31 PolarHBondContact O-OG 3.48Å; E29-S31 PolarHBondContact O-N 2.82Å; S31-F33 VanDerWaalsContact C-N 3.33Å; S31-Y34 CarbonylContact O-C 3.26Å; S31-Y34 VanDerWaalsContact O-C 3.26Å; S31-Q35 PolarHBondContact O-N 2.6Å
32R84Confident87.2Confident157 Ų157104.9 Ų104.959%0.59246%0.458SS*.THydrogen-bonded Turntrans-69-31.8171.4-66.8178.8170.4155.9-1.6112.4R28 E29 F30 Q35R28-R32 PolarHBondContact O-N 3.16Å; E29-R32 WeakPolarHBondContact O-CB 3.3Å; E29-R32 PolarHBondContact O-N 2.8Å; E29-R32 IonicContact OE1-NH1 3.79Å; E29-R32 PolarHBondContact OE1-NH1 2.81Å; E29-R32 IonicContact OE2-NH1 3.17Å; F30-R32 PolarHBondContact O-N 3.35Å; R32-Q35 WeakPolarHBondContact O-CG 3.39Å
33F83.6Confident87.8Confident147 Ų147102.2 Ų102.265%0.64545%0.446SS*.THydrogen-bonded Turntrans-80.7-33.2177.7-62.2-83.1000111.9W17 E29 F30 S31W17-F33 AromaticContact CH2-CD2 3.82Å; W17-F33 HydrophobicContact CH2-CD2 3.82Å; W17-F33 AromaticContact CH2-CE2 3.49Å; W17-F33 HydrophobicContact CH2-CE2 3.49Å; W17-F33 VanDerWaalsContact CH2-CE2 3.49Å; W17-F33 HydrophobicContact CH2-CZ 4.47Å; W17-F33 HydrophobicContact CZ2-CE2 4.12Å; E29-F33 WeakPolarHBondContact O-CD2 3.44Å; F30-F33 WeakPolarHBondContact O-CB 3.31Å; F30-F33 PolarHBondContact O-N 3.39Å; S31-F33 VanDerWaalsContact C-N 3.33Å
34Y82.9Confident88.2Confident129 Ų129105.7 Ų105.751%0.50646%0.458SS..SBendtrans-114.971.4177.1-65.2-84.7000110.3V10 F30 S31V10-Y34 WeakPolarHBondContact CG2-OH 3.38Å; F30-Y34 HydrophobicContact CD1-CD2 4.09Å; F30-Y34 HydrophobicContact CD2-CD2 4.36Å; F30-Y34 HydrophobicContact CD2-CE2 4.4Å; F30-Y34 AromaticContact CE1-CD2 3.45Å; F30-Y34 HydrophobicContact CE1-CD2 3.45Å; F30-Y34 VanDerWaalsContact CE1-CD2 3.45Å; F30-Y34 AromaticContact CE1-CE2 3.9Å; F30-Y34 HydrophobicContact CE1-CE2 3.9Å; F30-Y34 HydrophobicContact CE1-CG 4.25Å; F30-Y34 AromaticContact CE2-CD2 3.77Å; F30-Y34 HydrophobicContact CE2-CD2 3.77Å; F30-Y34 AromaticContact CE2-CE2 3.49Å; F30-Y34 HydrophobicContact CE2-CE2 3.49Å; F30-Y34 VanDerWaalsContact CE2-CE2 3.49Å; F30-Y34 AromaticContact CZ-CD2 3.27Å; F30-Y34 HydrophobicContact CZ-CD2 3.27Å; F30-Y34 AromaticContact CZ-CE2 3.18Å; F30-Y34 HydrophobicContact CZ-CE2 3.18Å; F30-Y34 HydrophobicContact CZ-CG 4.33Å; F30-Y34 PolarHBondContact O-N 3.38Å; S31-Y34 CarbonylContact O-C 3.26Å; S31-Y34 VanDerWaalsContact O-C 3.26Å
35Q83Confident88.6Confident92 Ų92106.7 Ų106.743%0.4347%0.467SS..  trans-64.4150.1179.7-63.9-171.42.200112S31 R32 E43S31-Q35 PolarHBondContact O-N 2.6Å; R32-Q35 WeakPolarHBondContact O-CG 3.39Å; Q35-E43 PolarHBondContact OE1-OE2 3.48Å
36Y88.1Confident88.9Confident165 Ų165105.9 Ų105.965%0.64747%0.47SS*.  trans-64.8144.8172.1-67.7-74.2000110.4F38 T39 F40Y36-F38 PolarHBondContact O-N 3.22Å; Y36-F38 VanDerWaalsContact O-N 3.09Å; Y36-T39 PolarHBondContact N-OG1 2.92Å; Y36-T39 PolarHBondContact O-N 3.22Å; Y36-T39 PolarHBondContact O-OG1 3.33Å; Y36-F40 PolarHBondContact O-N 2.68Å; Y36-F40 VanDerWaalsContact O-N 3.17Å
37R89.7Confident89.3Confident210 Ų210108.1 Ų108.179%0.79249%0.486SS*.Hα-helixtrans-55.2-33.9178.1-172.5177.4179.291.10.7112.9I41R37-I41 HydrophobicContact CG-CD1 4.33Å; R37-I41 WeakPolarHBondContact O-CG1 3.16Å; R37-I41 PolarHBondContact O-N 3.44Å; R37-I41 VanDerWaalsContact O-N 3.16Å
38F91.9Very high89.8Confident140 Ų140106.4 Ų106.461%0.61449%0.491SS*.Hα-helixtrans-68.5-41.2177.5-178.9-105.5000112.9Y36 F40 I41 L42Y36-F38 PolarHBondContact O-N 3.22Å; Y36-F38 VanDerWaalsContact O-N 3.09Å; F38-F40 VanDerWaalsContact C-N 3.29Å; F38-F40 PolarHBondContact O-N 3.35Å; F38-I41 PolarHBondContact O-N 3.21Å; F38-L42 HydrophobicContact CD1-CD1 3.92Å; F38-L42 HydrophobicContact CD1-CG 4.41Å; F38-L42 HydrophobicContact CE1-CD1 3.35Å; F38-L42 HydrophobicContact CE1-CG 3.99Å; F38-L42 HydrophobicContact CE2-CG 4.47Å; F38-L42 HydrophobicContact CZ-CD1 3.76Å; F38-L42 HydrophobicContact CZ-CD2 4.17Å; F38-L42 HydrophobicContact CZ-CG 4.02Å; F38-L42 PolarHBondContact O-N 3.42Å
39T90.7Very high90.2Very high56 Ų56104.7 Ų104.734%0.34449%0.491SS..Hα-helixtrans-65.8-36.9177.655.50000111Y36 L42 E43Y36-T39 PolarHBondContact N-OG1 2.92Å; Y36-T39 PolarHBondContact O-N 3.22Å; Y36-T39 PolarHBondContact O-OG1 3.33Å; T39-L42 PolarHBondContact O-N 3.18Å; T39-E43 WeakPolarHBondContact O-CB 3.29Å; T39-E43 PolarHBondContact O-N 3.46Å
40F91Very high90.5Very high105 Ų105105.9 Ų105.946%0.46150%0.501SS..Hα-helixtrans-59.8-45.3172.7177-98.7000112.4Y36 F38 L42 E43 E44Y36-F40 PolarHBondContact O-N 2.68Å; Y36-F40 VanDerWaalsContact O-N 3.17Å; F38-F40 VanDerWaalsContact C-N 3.29Å; F38-F40 PolarHBondContact O-N 3.35Å; F40-L42 VanDerWaalsContact C-N 3.33Å; F40-L42 PolarHBondContact O-N 2.94Å; F40-E43 PolarHBondContact O-N 2.74Å; F40-E44 HydrophobicContact CD1-CG 4.43Å; F40-E44 HydrophobicContact CE1-CG 3.96Å; F40-E44 HydrophobicContact CE2-CG 4.26Å; F40-E44 HydrophobicContact CZ-CG 3.86Å; F40-E44 WeakPolarHBondContact O-CG 3.43Å; F40-E44 PolarHBondContact O-N 3.2Å
41I93.5Very high91Very high90 Ų90105.8 Ų105.846%0.46251%0.508SS..Hα-helixtrans-63.4-39.6177.4-67164.6000111.4R37 F38 E44 L45R37-I41 HydrophobicContact CG-CD1 4.33Å; R37-I41 WeakPolarHBondContact O-CG1 3.16Å; R37-I41 PolarHBondContact O-N 3.44Å; R37-I41 VanDerWaalsContact O-N 3.16Å; F38-I41 PolarHBondContact O-N 3.21Å; I41-E44 PolarHBondContact O-N 3.03Å; I41-L45 WeakPolarHBondContact O-CB 3.18Å; I41-L45 PolarHBondContact O-N 3.24Å
42L94.3Very high91.4Very high71 Ų71106.7 Ų106.737%0.37251%0.512SS..Hα-helixtrans-66.4-40.2175.4-71.5179.9000112.3F38 T39 F40 L45 L46F38-L42 HydrophobicContact CD1-CD1 3.92Å; F38-L42 HydrophobicContact CD1-CG 4.41Å; F38-L42 HydrophobicContact CE1-CD1 3.35Å; F38-L42 HydrophobicContact CE1-CG 3.99Å; F38-L42 HydrophobicContact CE2-CG 4.47Å; F38-L42 HydrophobicContact CZ-CD1 3.76Å; F38-L42 HydrophobicContact CZ-CD2 4.17Å; F38-L42 HydrophobicContact CZ-CG 4.02Å; F38-L42 PolarHBondContact O-N 3.42Å; T39-L42 PolarHBondContact O-N 3.18Å; F40-L42 VanDerWaalsContact C-N 3.33Å; F40-L42 PolarHBondContact O-N 2.94Å; L42-L45 PolarHBondContact O-N 3.32Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 WeakPolarHBondContact O-CG 3.36Å; L42-L46 PolarHBondContact O-N 2.9Å
43E93.1Very high91.9Very high112 Ų112105.1 Ų105.152%0.52351%0.51SS..Hα-helixtrans-62.8-43.7176.1-172.7173.9166.200110.8Q35 T39 F40 L45 L46 S47Q35-E43 PolarHBondContact OE1-OE2 3.48Å; T39-E43 WeakPolarHBondContact O-CB 3.29Å; T39-E43 PolarHBondContact O-N 3.46Å; F40-E43 PolarHBondContact O-N 2.74Å; E43-L45 PolarHBondContact O-N 3.24Å; E43-L46 PolarHBondContact O-N 2.83Å; E43-S47 WeakPolarHBondContact O-CA 3.31Å; E43-S47 WeakPolarHBondContact O-CB 3.47Å; E43-S47 PolarHBondContact O-N 2.95Å
44E93.8Very high92.5Very high108 Ų108101.3 Ų101.351%0.50550%0.499SS..Hα-helixtrans-61.5-40.5174.3-74.4-69.3148.400112.4F40 I41 S47 P48F40-E44 HydrophobicContact CD1-CG 4.43Å; F40-E44 HydrophobicContact CE1-CG 3.96Å; F40-E44 HydrophobicContact CE2-CG 4.26Å; F40-E44 HydrophobicContact CZ-CG 3.86Å; F40-E44 WeakPolarHBondContact O-CG 3.43Å; F40-E44 PolarHBondContact O-N 3.2Å; I41-E44 PolarHBondContact O-N 3.03Å; E44-S47 WeakPolarHBondContact O-CB 3.12Å; E44-P48 WeakPolarHBondContact O-CD 3.42Å
45L95.1Very high93Very high129 Ų12999.3 Ų99.368%0.67550%0.496SS*.Hα-helixtrans-68.9-37.4178.3-172.965.7000112.5I41 L42 E43I41-L45 WeakPolarHBondContact O-CB 3.18Å; I41-L45 PolarHBondContact O-N 3.24Å; L42-L45 PolarHBondContact O-N 3.32Å; E43-L45 PolarHBondContact O-N 3.24Å
46L95.3Very high93.4Very high90 Ų90100.3 Ų100.347%0.47150%0.504SS..Hα-helixtrans-85.4-21179.1-69.6170.2000113.1L42 E43 I49 V50L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 WeakPolarHBondContact O-CG 3.36Å; L42-L46 PolarHBondContact O-N 2.9Å; E43-L46 PolarHBondContact O-N 2.83Å; L46-I49 WeakPolarHBondContact O-CA 3.48Å; L46-I49 WeakPolarHBondContact O-CB 3.46Å; L46-I49 PolarHBondContact O-N 3.28Å; L46-V50 HydrophobicContact CB-CG2 4.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.38Å; L46-V50 PolarHBondContact O-N 3.22Å
47S95Very high93.7Very high54 Ų5498.2 Ų98.238%0.37850%0.503SS..Hα-helixtrans-47.2-50.8-179.3178.40000113.9E43 E44 I49 V50 C51E43-S47 WeakPolarHBondContact O-CA 3.31Å; E43-S47 WeakPolarHBondContact O-CB 3.47Å; E43-S47 PolarHBondContact O-N 2.95Å; E44-S47 WeakPolarHBondContact O-CB 3.12Å; S47-I49 PolarHBondContact O-N 3.27Å; S47-V50 PolarHBondContact O-N 3.46Å; S47-C51 WeakPolarHBondContact O-CB 3.23Å; S47-C51 PolarHBondContact O-N 3.11Å
48P94.8Very high93.9Very high91 Ų9197.4 Ų97.459%0.59150%0.5SS*.Hα-helixtrans-63.3-26.6179.724.6-35.4000113.4E44 P52E44-P48 WeakPolarHBondContact O-CD 3.42Å; P48-P52 WeakPolarHBondContact O-CD 3.15Å
49I95.3Very high94Very high104 Ų10494.5 Ų94.553%0.53349%0.491SS..Hα-helixtrans-81.9-48.4176.9-59.4174.1000109.9L46 S47 P52 F53L46-I49 WeakPolarHBondContact O-CA 3.48Å; L46-I49 WeakPolarHBondContact O-CB 3.46Å; L46-I49 PolarHBondContact O-N 3.28Å; S47-I49 PolarHBondContact O-N 3.27Å; I49-P52 VanDerWaalsContact O-CD 3.29Å; I49-P52 WeakPolarHBondContact O-CD 3.42Å; I49-P52 VanDerWaalsContact O-CG 3.26Å; I49-P52 WeakPolarHBondContact O-CG 3.35Å; I49-F53 HydrophobicContact CG2-CE2 4.1Å; I49-F53 WeakPolarHBondContact O-CD2 3.42Å; I49-F53 WeakPolarHBondContact O-CE2 3.46Å
50V95.2Very high94.1Very high71 Ų71101.1 Ų101.143%0.4351%0.51SS..Hα-helixtrans-73.4-38.5-173.4175.10000112.3L46 S47 F53 V54L46-V50 HydrophobicContact CB-CG2 4.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.38Å; L46-V50 PolarHBondContact O-N 3.22Å; S47-V50 PolarHBondContact O-N 3.46Å; V50-F53 PolarHBondContact O-N 3.47Å; V50-F53 VanDerWaalsContact O-N 3.12Å; V50-V54 HydrophobicContact CG1-CG2 3.77Å; V50-V54 WeakPolarHBondContact O-CG2 3.38Å; V50-V54 PolarHBondContact O-N 2.94Å
51C95.4Very high94.2Very high59 Ų59100.8 Ų100.840%0.39952%0.518SS..Hα-helixtrans-52.5-52.2-177.3-174.90000114S47 F53 V54 L55S47-C51 WeakPolarHBondContact O-CB 3.23Å; S47-C51 PolarHBondContact O-N 3.11Å; C51-F53 VanDerWaalsContact C-N 3.29Å; C51-F53 PolarHBondContact O-N 3.38Å; C51-V54 PolarHBondContact O-N 3.48Å; C51-L55 WeakPolarHBondContact O-CB 3.31Å; C51-L55 VanDerWaalsContact O-CG 3.29Å; C51-L55 WeakPolarHBondContact O-CG 3.48Å; C51-L55 PolarHBondContact O-N 3.32Å
52P94.4Very high94.2Very high60 Ų6098.4 Ų98.439%0.3951%0.509SS..Hα-helixtrans-61.3-35.1178.324-34.8000113P48 I49 L55 L56P48-P52 WeakPolarHBondContact O-CD 3.15Å; I49-P52 VanDerWaalsContact O-CD 3.29Å; I49-P52 WeakPolarHBondContact O-CD 3.42Å; I49-P52 VanDerWaalsContact O-CG 3.26Å; I49-P52 WeakPolarHBondContact O-CG 3.35Å; P52-L55 PolarHBondContact O-N 3.46Å; P52-L56 WeakPolarHBondContact O-CB 3.28Å; P52-L56 VanDerWaalsContact O-CG 3.3Å; P52-L56 WeakPolarHBondContact O-CG 3.14Å; P52-L56 PolarHBondContact O-N 3.25Å
53F94.7Very high94.1Very high125 Ų12597.3 Ų97.355%0.54851%0.51SS..Hα-helixtrans-67.2-42.7175.7-67.4-71.9000112I49 V50 C51 L56 L57I49-F53 HydrophobicContact CG2-CE2 4.1Å; I49-F53 WeakPolarHBondContact O-CD2 3.42Å; I49-F53 WeakPolarHBondContact O-CE2 3.46Å; V50-F53 PolarHBondContact O-N 3.47Å; V50-F53 VanDerWaalsContact O-N 3.12Å; C51-F53 VanDerWaalsContact C-N 3.29Å; C51-F53 PolarHBondContact O-N 3.38Å; F53-L56 PolarHBondContact O-N 2.82Å; F53-L57 VanDerWaalsContact O-CB 3.31Å; F53-L57 WeakPolarHBondContact O-CB 3.42Å; F53-L57 WeakPolarHBondContact O-CG 3.15Å; F53-L57 PolarHBondContact O-N 3.04Å
54V94.9Very high94.2Very high66 Ų6694 Ų9440%0.451%0.507SS..Hα-helixtrans-64.4-43.5176.2175.30000110.6V50 C51 L56 W58 L59V50-V54 HydrophobicContact CG1-CG2 3.77Å; V50-V54 WeakPolarHBondContact O-CG2 3.38Å; V50-V54 PolarHBondContact O-N 2.94Å; C51-V54 PolarHBondContact O-N 3.48Å; V54-L56 PolarHBondContact O-N 3.49Å; V54-W58 HydrophobicContact CG1-CB 4.31Å; V54-W58 WeakPolarHBondContact O-CA 3.26Å; V54-W58 VanDerWaalsContact O-CB 3.3Å; V54-W58 WeakPolarHBondContact O-CB 3.42Å; V54-W58 PolarHBondContact O-N 3.5Å; V54-L59 PolarHBondContact O-N 3.47Å
55L93.7Very high94.1Very high87 Ų8795.9 Ų95.946%0.45552%0.515SS..Iπ-helixtrans-62.4-43.7177.5-68.8175000112.2C51 P52 L59 R60C51-L55 WeakPolarHBondContact O-CB 3.31Å; C51-L55 VanDerWaalsContact O-CG 3.29Å; C51-L55 WeakPolarHBondContact O-CG 3.48Å; C51-L55 PolarHBondContact O-N 3.32Å; P52-L55 PolarHBondContact O-N 3.46Å; L55-L59 HydrophobicContact CD2-CB 4.34Å; L55-L59 HydrophobicContact CD2-CD2 3.44Å; L55-L59 VanDerWaalsContact CD2-CD2 3.44Å; L55-L59 HydrophobicContact CD2-CG 4.49Å; L55-L59 WeakPolarHBondContact O-CB 3.42Å; L55-R60 PolarHBondContact O-N 2.96Å
56L92.5Very high94Very high114 Ų11494.3 Ų94.360%0.59750%0.503SS*.Iπ-helixtrans-75.3-41.3-177.6-72.9171.6000113.5P52 F53 V54 R60P52-L56 WeakPolarHBondContact O-CB 3.28Å; P52-L56 VanDerWaalsContact O-CG 3.3Å; P52-L56 WeakPolarHBondContact O-CG 3.14Å; P52-L56 PolarHBondContact O-N 3.25Å; F53-L56 PolarHBondContact O-N 2.82Å; V54-L56 PolarHBondContact O-N 3.49Å; L56-R60 VanDerWaalsContact O-CB 3.31Å; L56-R60 WeakPolarHBondContact O-CB 3.04Å
57L93.8Very high94Very high120 Ų12093.2 Ų93.263%0.62850%0.5SS*.Iπ-helixtrans-93.8-33.7-171.9-61.6176.6000113.1F53 P61F53-L57 VanDerWaalsContact O-CB 3.31Å; F53-L57 WeakPolarHBondContact O-CB 3.42Å; F53-L57 WeakPolarHBondContact O-CG 3.15Å; F53-L57 PolarHBondContact O-N 3.04Å; L57-P61 VanDerWaalsContact O-CD 3.3Å; L57-P61 WeakPolarHBondContact O-CD 3.45Å; L57-P61 VanDerWaalsContact O-CG 3.26Å; L57-P61 WeakPolarHBondContact O-CG 3.38Å
58W92.8Very high93.9Very high193 Ų19394.6 Ų94.673%0.73150%0.503SS*.Iπ-helixtrans-107-44.1-172.5-64.256.7000112.3V54 P61 S62V54-W58 HydrophobicContact CG1-CB 4.31Å; V54-W58 WeakPolarHBondContact O-CA 3.26Å; V54-W58 VanDerWaalsContact O-CB 3.3Å; V54-W58 WeakPolarHBondContact O-CB 3.42Å; V54-W58 PolarHBondContact O-N 3.5Å; W58-P61 WeakPolarHBondContact O-CD 3.34Å; W58-P61 WeakPolarHBondContact O-CG 3.29Å; W58-S62 PolarHBondContact O-OG 2.87Å
59L93.8Very high93.7Very high79 Ų7994 Ų9441%0.41449%0.492SS..Iπ-helixtrans-72.7-43.1-177.8-168.572.5000111.6V54 L55 S62 A63 F66V54-L59 PolarHBondContact O-N 3.47Å; L55-L59 HydrophobicContact CD2-CB 4.34Å; L55-L59 HydrophobicContact CD2-CD2 3.44Å; L55-L59 VanDerWaalsContact CD2-CD2 3.44Å; L55-L59 HydrophobicContact CD2-CG 4.49Å; L55-L59 WeakPolarHBondContact O-CB 3.42Å; L59-S62 CarbonylContact O-C 3.55Å; L59-S62 PolarHBondContact O-N 3.44Å; L59-S62 VanDerWaalsContact O-N 3.11Å; L59-A63 PolarHBondContact O-N 3.08Å; L59-A63 VanDerWaalsContact O-N 3.09Å; L59-F66 HydrophobicContact CD1-CD2 4.26Å; L59-F66 HydrophobicContact CD1-CE2 3.48Å; L59-F66 VanDerWaalsContact CD1-CE2 3.48Å; L59-F66 HydrophobicContact CD1-CZ 3.87Å
60R92.6Very high93.6Very high196 Ų19695.1 Ų95.174%0.7449%0.493SS*.Hα-helixtrans-54.5-51.2-179.3-174.5178162.6123-1.8114.5L55 L56 S62 A63L55-R60 PolarHBondContact O-N 2.96Å; L56-R60 VanDerWaalsContact O-CB 3.31Å; L56-R60 WeakPolarHBondContact O-CB 3.04Å; R60-S62 PolarHBondContact O-N 3.21Å; R60-A63 VanDerWaalsContact O-CB 3.26Å; R60-A63 WeakPolarHBondContact O-CB 3.42Å; R60-A63 PolarHBondContact O-N 2.86Å
61P93.6Very high93.5Very high98 Ų98100.5 Ų100.564%0.63651%0.505SS*.Hα-helixtrans-67-25.5178.125.9-34.9000113.1L57 W58 A63L57-P61 VanDerWaalsContact O-CD 3.3Å; L57-P61 WeakPolarHBondContact O-CD 3.45Å; L57-P61 VanDerWaalsContact O-CG 3.26Å; L57-P61 WeakPolarHBondContact O-CG 3.38Å; W58-P61 WeakPolarHBondContact O-CD 3.34Å; W58-P61 WeakPolarHBondContact O-CG 3.29Å; P61-A63 VanDerWaalsContact C-N 3.33Å
62S93.1Very high93.2Very high40 Ų40102.9 Ų102.928%0.2851%0.514SS..Hα-helixtrans-84.9-5.6179.7-530000113.3W58 L59 R60 G64 Q65 F66W58-S62 PolarHBondContact O-OG 2.87Å; L59-S62 CarbonylContact O-C 3.55Å; L59-S62 PolarHBondContact O-N 3.44Å; L59-S62 VanDerWaalsContact O-N 3.11Å; R60-S62 PolarHBondContact O-N 3.21Å; S62-G64 PolarHBondContact O-N 3.48Å; S62-G64 VanDerWaalsContact O-N 3.16Å; S62-Q65 PolarHBondContact O-N 2.74Å; S62-F66 WeakPolarHBondContact O-CD2 3.34Å; S62-F66 PolarHBondContact O-N 3.12Å
63A93.2Very high93Very high47 Ų47101.5 Ų101.539%0.38850%0.502SS..Hα-helixtrans-53.8-37-176.400000113.5L59 R60 P61 Q65 F66 V67L59-A63 PolarHBondContact O-N 3.08Å; L59-A63 VanDerWaalsContact O-N 3.09Å; R60-A63 VanDerWaalsContact O-CB 3.26Å; R60-A63 WeakPolarHBondContact O-CB 3.42Å; R60-A63 PolarHBondContact O-N 2.86Å; P61-A63 VanDerWaalsContact C-N 3.33Å; A63-Q65 PolarHBondContact O-N 3.34Å; A63-F66 PolarHBondContact O-N 3.3Å; A63-V67 WeakPolarHBondContact O-CG2 3.38Å; A63-V67 PolarHBondContact O-N 2.87Å
64G94.2Very high92.9Very high44 Ų4498.2 Ų98.245%0.45449%0.492SS..Hα-helixtrans-59.7-4417700000112.9S62 F66 V67 D68S62-G64 PolarHBondContact O-N 3.48Å; S62-G64 VanDerWaalsContact O-N 3.16Å; G64-F66 VanDerWaalsContact C-N 3.31Å; G64-F66 PolarHBondContact O-N 3.05Å; G64-V67 PolarHBondContact O-N 3.05Å; G64-D68 VanDerWaalsContact O-CG 3.31Å; G64-D68 PolarHBondContact O-N 3.5Å
65Q93.4Very high92.8Very high147 Ų14797.7 Ų97.769%0.68749%0.489SS*.Hα-helixtrans-65.4-35.3179.4-61.4178.129.500112S62 A63 F69S62-Q65 PolarHBondContact O-N 2.74Å; A63-Q65 PolarHBondContact O-N 3.34Å; Q65-F69 WeakPolarHBondContact O-CB 3.43Å; Q65-F69 PolarHBondContact O-N 3.5Å
66F92.2Very high92.8Very high96 Ų96101 Ų10142%0.42150%0.503SS..Hα-helixtrans-67.8-42.8175-66.3-69.2000111.8L59 S62 A63 G64 D68 F69 F70L59-F66 HydrophobicContact CD1-CD2 4.26Å; L59-F66 HydrophobicContact CD1-CE2 3.48Å; L59-F66 VanDerWaalsContact CD1-CE2 3.48Å; L59-F66 HydrophobicContact CD1-CZ 3.87Å; S62-F66 WeakPolarHBondContact O-CD2 3.34Å; S62-F66 PolarHBondContact O-N 3.12Å; A63-F66 PolarHBondContact O-N 3.3Å; G64-F66 VanDerWaalsContact C-N 3.31Å; G64-F66 PolarHBondContact O-N 3.05Å; F66-D68 VanDerWaalsContact C-N 3.32Å; F66-D68 PolarHBondContact O-N 3.01Å; F66-F69 WeakPolarHBondContact O-CB 3.47Å; F66-F69 PolarHBondContact O-N 2.95Å; F66-F70 HydrophobicContact CB-CE2 4.43Å; F66-F70 WeakPolarHBondContact O-CD2 3.42Å; F66-F70 PolarHBondContact O-N 3Å
67V94.6Very high92.7Very high66 Ų6697.4 Ų97.440%0.449%0.485SS..Hα-helixtrans-62-42.9176.4174.10000110.6A63 G64 F69 F70 R71A63-V67 WeakPolarHBondContact O-CG2 3.38Å; A63-V67 PolarHBondContact O-N 2.87Å; G64-V67 PolarHBondContact O-N 3.05Å; V67-F69 VanDerWaalsContact C-N 3.32Å; V67-F69 PolarHBondContact O-N 2.73Å; V67-F70 PolarHBondContact O-N 3.35Å; V67-R71 HydrophobicContact CG1-CG 4.45Å; V67-R71 WeakPolarHBondContact O-CB 3.49Å; V67-R71 VanDerWaalsContact O-CG 3.29Å; V67-R71 WeakPolarHBondContact O-CG 3.49Å; V67-R71 PolarHBondContact O-N 3.26Å
68D93.2Very high92.6Very high84 Ų8497.4 Ų97.445%0.44950%0.495SS..Hα-helixtrans-64.4-38175.9-67-22.1000111.7G64 F66 R71 N72G64-D68 VanDerWaalsContact O-CG 3.31Å; G64-D68 PolarHBondContact O-N 3.5Å; F66-D68 VanDerWaalsContact C-N 3.32Å; F66-D68 PolarHBondContact O-N 3.01Å; D68-R71 PolarHBondContact O-N 3.29Å; D68-N72 WeakPolarHBondContact O-CB 3.1Å; D68-N72 VanDerWaalsContact O-CG 3.27Å; D68-N72 PolarHBondContact O-N 3.12Å; D68-N72 PolarHBondContact O-ND2 3.26Å
69F91.7Very high92.6Very high79 Ų7992.3 Ų92.335%0.34650%0.502SS..Hα-helixtrans-61.7-51.4172.6173.8-94.8000111.7Q65 F66 V67 R71 N72 F73 L86Q65-F69 WeakPolarHBondContact O-CB 3.43Å; Q65-F69 PolarHBondContact O-N 3.5Å; F66-F69 WeakPolarHBondContact O-CB 3.47Å; F66-F69 PolarHBondContact O-N 2.95Å; V67-F69 VanDerWaalsContact C-N 3.32Å; V67-F69 PolarHBondContact O-N 2.73Å; F69-R71 VanDerWaalsContact C-N 3.28Å; F69-R71 PolarHBondContact O-N 3.25Å; F69-N72 PolarHBondContact O-N 3.08Å; F69-F73 HydrophobicContact CB-CD2 4.5Å; F69-F73 HydrophobicContact CD2-CB 4.32Å; F69-F73 AromaticContact CD2-CD2 3.26Å; F69-F73 HydrophobicContact CD2-CD2 3.26Å; F69-F73 AromaticContact CD2-CE2 3.63Å; F69-F73 HydrophobicContact CD2-CE2 3.63Å; F69-F73 AromaticContact CD2-CG 3.95Å; F69-F73 HydrophobicContact CD2-CG 3.95Å; F69-F73 HydrophobicContact CE2-CB 3.97Å; F69-F73 HydrophobicContact CE2-CD1 4.38Å; F69-F73 AromaticContact CE2-CD2 3.53Å; F69-F73 HydrophobicContact CE2-CD2 3.53Å; F69-F73 AromaticContact CE2-CE2 3.99Å; F69-F73 HydrophobicContact CE2-CE2 3.99Å; F69-F73 AromaticContact CE2-CG 3.73Å; F69-F73 HydrophobicContact CE2-CG 3.73Å; F69-F73 HydrophobicContact CG-CD2 4.02Å; F69-F73 HydrophobicContact CZ-CB 4.11Å; F69-F73 HydrophobicContact CZ-CD2 4.45Å; F69-F73 HydrophobicContact CZ-CG 4.36Å; F69-F73 WeakPolarHBondContact O-CB 3.44Å; F69-F73 WeakPolarHBondContact O-CD2 3.41Å; F69-F73 PolarHBondContact O-N 3.45Å; F69-L86 HydrophobicContact CE2-CD1 4.46Å
70F92.9Very high92.5Very high127 Ų12795.1 Ų95.156%0.55752%0.517SS*.Hα-helixtrans-63-35.4179.8-74.2-65.6000112.3F66 V67 T74F66-F70 HydrophobicContact CB-CE2 4.43Å; F66-F70 WeakPolarHBondContact O-CD2 3.42Å; F66-F70 PolarHBondContact O-N 3Å; V67-F70 PolarHBondContact O-N 3.35Å; F70-T74 WeakPolarHBondContact O-CB 3.35Å; F70-T74 PolarHBondContact O-N 3.01Å; F70-T74 PolarHBondContact O-OG1 3.46Å
71R92.3Very high92.5Very high183 Ų18387.3 Ų87.369%0.69150%0.497SS*.Hα-helixtrans-67.9-41.9176.4-74.4173.9176.3172.7-1.7112.9V67 D68 F69V67-R71 HydrophobicContact CG1-CG 4.45Å; V67-R71 WeakPolarHBondContact O-CB 3.49Å; V67-R71 VanDerWaalsContact O-CG 3.29Å; V67-R71 WeakPolarHBondContact O-CG 3.49Å; V67-R71 PolarHBondContact O-N 3.26Å; D68-R71 PolarHBondContact O-N 3.29Å; F69-R71 VanDerWaalsContact C-N 3.28Å; F69-R71 PolarHBondContact O-N 3.25Å
72N90.1Very high92.5Very high110 Ų11088.7 Ų88.759%0.58850%0.499SS*.Hα-helixtrans-86.5-24.4-174.4-66.2-34.6000113.6D68 F69D68-N72 WeakPolarHBondContact O-CB 3.1Å; D68-N72 VanDerWaalsContact O-CG 3.27Å; D68-N72 PolarHBondContact O-N 3.12Å; D68-N72 PolarHBondContact O-ND2 3.26Å; F69-N72 PolarHBondContact O-N 3.08Å
73F90.3Very high92.5Very high31 Ų3188.7 Ų88.714%0.13650%0.497CS..SBendtrans-11416.6-175.2-64.6-88.7000114.1F69 C84 S85 L86 Y94 A113F69-F73 HydrophobicContact CB-CD2 4.5Å; F69-F73 HydrophobicContact CD2-CB 4.32Å; F69-F73 AromaticContact CD2-CD2 3.26Å; F69-F73 HydrophobicContact CD2-CD2 3.26Å; F69-F73 AromaticContact CD2-CE2 3.63Å; F69-F73 HydrophobicContact CD2-CE2 3.63Å; F69-F73 AromaticContact CD2-CG 3.95Å; F69-F73 HydrophobicContact CD2-CG 3.95Å; F69-F73 HydrophobicContact CE2-CB 3.97Å; F69-F73 HydrophobicContact CE2-CD1 4.38Å; F69-F73 AromaticContact CE2-CD2 3.53Å; F69-F73 HydrophobicContact CE2-CD2 3.53Å; F69-F73 AromaticContact CE2-CE2 3.99Å; F69-F73 HydrophobicContact CE2-CE2 3.99Å; F69-F73 AromaticContact CE2-CG 3.73Å; F69-F73 HydrophobicContact CE2-CG 3.73Å; F69-F73 HydrophobicContact CG-CD2 4.02Å; F69-F73 HydrophobicContact CZ-CB 4.11Å; F69-F73 HydrophobicContact CZ-CD2 4.45Å; F69-F73 HydrophobicContact CZ-CG 4.36Å; F69-F73 WeakPolarHBondContact O-CB 3.44Å; F69-F73 WeakPolarHBondContact O-CD2 3.41Å; F69-F73 PolarHBondContact O-N 3.45Å; F73-C84 CarbonylContact O-C 3.51Å; F73-C84 VanDerWaalsContact O-CA 3.29Å; F73-C84 WeakPolarHBondContact O-CA 3.5Å; F73-S85 WeakPolarHBondContact CA-OG 3.36Å; F73-S85 WeakPolarHBondContact CD1-OG 3.45Å; F73-S85 PolarHBondContact O-N 3.19Å; F73-S85 PolarHBondContact O-OG 2.62Å; F73-L86 HydrophobicContact CD1-CD1 4.21Å; F73-L86 HydrophobicContact CD1-CD2 4.28Å; F73-L86 HydrophobicContact CD1-CG 3.98Å; F73-L86 HydrophobicContact CE1-CD1 4.38Å; F73-L86 HydrophobicContact CE1-CD2 4.2Å; F73-L86 HydrophobicContact CE1-CG 4.31Å; F73-Y94 HydrophobicContact CD1-CD1 4.3Å; F73-Y94 AromaticContact CD1-CE1 3.66Å; F73-Y94 HydrophobicContact CD1-CE1 3.66Å; F73-Y94 AromaticContact CE1-CD1 3.96Å; F73-Y94 HydrophobicContact CE1-CD1 3.96Å; F73-Y94 AromaticContact CE1-CE1 3.58Å; F73-Y94 HydrophobicContact CE1-CE1 3.58Å; F73-A113 HydrophobicContact CE1-CB 3.85Å; F73-A113 WeakPolarHBondContact CE1-O 3.32Å; F73-A113 HydrophobicContact CZ-CB 3.86Å
74T92.4Very high92.5Very high56 Ų5688.6 Ų88.634%0.34449%0.494SS..EExtended strand (participates in β ladder)trans-104.4129170.8-56.80000109.6F70 D82F70-T74 WeakPolarHBondContact O-CB 3.35Å; F70-T74 PolarHBondContact O-N 3.01Å; F70-T74 PolarHBondContact O-OG1 3.46Å; T74-D82 HydrophobicContact CG2-CB 3.71Å
75V91.4Very high92.3Very high55 Ų5586.6 Ų86.633%0.33347%0.473SS..EExtended strand (participates in β ladder)trans-132.8132178.2172.20000108.2V83V75-V83 PolarHBondContact N-O 3.02Å; V75-V83 PolarHBondContact O-N 3.39Å; V75-V83 VanDerWaalsContact O-O 3.1Å
76E93.9Very high92Very high157 Ų15782 Ų8273%0.73445%0.452SS*.EExtended strand (participates in β ladder)trans-77.2124.1174.8-171.6-179.8-179.600110
77V90.5Very high91.8Very high37 Ų3780.6 Ų80.622%0.22446%0.459CS..EExtended strand (participates in β ladder)trans-111.2126.3175.5-178.70000108.9G79 L80 G81 V83 Q88V77-G79 PolarHBondContact O-N 3.49Å; V77-G79 VanDerWaalsContact O-N 3.11Å; V77-L80 HydrophobicContact CB-CB 4.31Å; V77-L80 HydrophobicContact CB-CD1 4.45Å; V77-L80 HydrophobicContact CG1-CD1 4.07Å; V77-L80 HydrophobicContact CG1-CG 4.48Å; V77-L80 PolarHBondContact O-N 2.96Å; V77-G81 PolarHBondContact N-O 3.28Å; V77-G81 PolarHBondContact O-N 3.31Å; V77-G81 VanDerWaalsContact O-N 3.08Å; V77-V83 HydrophobicContact CG2-CB 4.44Å; V77-Q88 HydrophobicContact CG2-CG 4.3Å
78S92Very high91.3Very high121 Ų12181.1 Ų81.185%0.84646%0.457SS*.THydrogen-bonded Turntrans-54.5117.1-179.556.90000111.4
79G92.3Very high90.9Very high85 Ų8577.9 Ų77.988%0.87644%0.44SS*.THydrogen-bonded Turntrans91.2-7.3179.700000116V77V77-G79 PolarHBondContact O-N 3.49Å; V77-G79 VanDerWaalsContact O-N 3.11Å
80L91.6Very high90.6Very high139 Ų13975.7 Ų75.773%0.72843%0.432SS*.THydrogen-bonded Turntrans-115.7-27.4175.5-63177000113.1V77 V83V77-L80 HydrophobicContact CB-CB 4.31Å; V77-L80 HydrophobicContact CB-CD1 4.45Å; V77-L80 HydrophobicContact CG1-CD1 4.07Å; V77-L80 HydrophobicContact CG1-CG 4.48Å; V77-L80 PolarHBondContact O-N 2.96Å; L80-V83 HydrophobicContact CB-CG2 4.04Å
81G93.5Very high90.1Very high31 Ų3170 Ų7032%0.3241%0.407SS..EExtended strand (participates in β ladder)trans89.8-151.8-174.300000112.2V77 V83V77-G81 PolarHBondContact N-O 3.28Å; V77-G81 PolarHBondContact O-N 3.31Å; V77-G81 VanDerWaalsContact O-N 3.08Å; G81-V83 PolarHBondContact O-N 3.32Å
82D94.8Very high89.5Confident127 Ų12769 Ų6968%0.67940%0.403SS*.EExtended strand (participates in β ladder)trans-72.9114.5-179.4-69.7-31000111.4T74T74-D82 HydrophobicContact CG2-CB 3.71Å
83V92.8Very high89Confident40 Ų4066.9 Ų66.924%0.24239%0.392CS..EExtended strand (participates in β ladder)trans-123.4149.5-179.5-175.40000110V75 V77 L80 G81 S85 A87V75-V83 PolarHBondContact N-O 3.02Å; V75-V83 PolarHBondContact O-N 3.39Å; V75-V83 VanDerWaalsContact O-O 3.1Å; V77-V83 HydrophobicContact CG2-CB 4.44Å; L80-V83 HydrophobicContact CB-CG2 4.04Å; G81-V83 PolarHBondContact O-N 3.32Å; V83-S85 PolarHBondContact O-N 3.46Å; V83-A87 HydrophobicContact CG1-CB 4.27Å
84C91.9Very high88.6Confident46 Ų4666.8 Ų66.831%0.31139%0.391SS..EExtended strand (participates in β ladder)trans-62.6127.7171.6-178.40000110.4F73 L86 A87F73-C84 CarbonylContact O-C 3.51Å; F73-C84 VanDerWaalsContact O-CA 3.29Å; F73-C84 WeakPolarHBondContact O-CA 3.5Å; C84-L86 PolarHBondContact O-N 2.94Å; C84-A87 HydrophobicContact CB-CB 4.2Å; C84-A87 WeakPolarHBondContact O-CB 3.26Å; C84-A87 PolarHBondContact O-N 3.33Å
85S89.8Confident88Confident2 Ų264.1 Ų64.11%0.01438%0.375CS..G310 helixtrans-60.4-31.1-178.463.50000113.2F73 V83 A87 Q88 Y94F73-S85 WeakPolarHBondContact CA-OG 3.36Å; F73-S85 WeakPolarHBondContact CD1-OG 3.45Å; F73-S85 PolarHBondContact O-N 3.19Å; F73-S85 PolarHBondContact O-OG 2.62Å; V83-S85 PolarHBondContact O-N 3.46Å; S85-A87 VanDerWaalsContact C-N 3.29Å; S85-A87 PolarHBondContact O-N 3.48Å; S85-Q88 PolarHBondContact O-N 3.35Å; S85-Y94 VanDerWaalsContact CB-CZ 3.46Å; S85-Y94 WeakPolarHBondContact CB-OH 3.27Å; S85-Y94 PolarHBondContact OG-OH 3.27Å
86L87.1Confident87.5Confident49 Ų4961.9 Ų61.926%0.25736%0.361SS..G310 helixtrans-68.3-27.1174.7-60.4172.8000112.9F69 F73 C84 Q88 V89 Y94 A115F69-L86 HydrophobicContact CE2-CD1 4.46Å; F73-L86 HydrophobicContact CD1-CD1 4.21Å; F73-L86 HydrophobicContact CD1-CD2 4.28Å; F73-L86 HydrophobicContact CD1-CG 3.98Å; F73-L86 HydrophobicContact CE1-CD1 4.38Å; F73-L86 HydrophobicContact CE1-CD2 4.2Å; F73-L86 HydrophobicContact CE1-CG 4.31Å; C84-L86 PolarHBondContact O-N 2.94Å; L86-Q88 VanDerWaalsContact C-N 3.34Å; L86-V89 PolarHBondContact O-N 2.88Å; L86-Y94 HydrophobicContact CD2-CD1 3.49Å; L86-Y94 VanDerWaalsContact CD2-CD1 3.49Å; L86-Y94 HydrophobicContact CD2-CE1 4.25Å; L86-Y94 HydrophobicContact CD2-CG 3.64Å; L86-A115 HydrophobicContact CD2-CB 4.42Å
87A87.9Confident86.7Confident67 Ų6756.6 Ų56.655%0.55434%0.34SS*.G310 helixtrans-79.4-17-178.200000113V83 C84 S85 V89V83-A87 HydrophobicContact CG1-CB 4.27Å; C84-A87 HydrophobicContact CB-CB 4.2Å; C84-A87 WeakPolarHBondContact O-CB 3.26Å; C84-A87 PolarHBondContact O-N 3.33Å; S85-A87 VanDerWaalsContact C-N 3.29Å; S85-A87 PolarHBondContact O-N 3.48Å; A87-V89 PolarHBondContact O-N 2.98Å
88Q85.9Confident86.1Confident77 Ų7757.8 Ų57.836%0.3635%0.348SS..G310 helixtrans-72.1-10.2172.8-62.1-176.643.900112.5V77 S85 L86 D90V77-Q88 HydrophobicContact CG2-CG 4.3Å; S85-Q88 PolarHBondContact O-N 3.35Å; L86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-D90 VanDerWaalsContact C-N 3.28Å; Q88-D90 PolarHBondContact O-N 2.88Å
89V84.6Confident85.3Confident16 Ų1652.8 Ų52.810%0.09731%0.31CS..THydrogen-bonded Turntrans59.939.6-179.8-160.30000111.9L86 A87 L91 V120 L124L86-V89 PolarHBondContact O-N 2.88Å; A87-V89 PolarHBondContact O-N 2.98Å; V89-L91 PolarHBondContact O-N 2.79Å; V89-V120 HydrophobicContact CG1-CG1 3.88Å; V89-V120 VanDerWaalsContact CG1-O 3.31Å; V89-V120 WeakPolarHBondContact CG1-O 3.38Å; V89-L124 HydrophobicContact CB-CD1 4.49Å; V89-L124 HydrophobicContact CG1-CB 3.44Å; V89-L124 VanDerWaalsContact CG1-CB 3.44Å; V89-L124 HydrophobicContact CG1-CD1 3.82Å; V89-L124 HydrophobicContact CG1-CG 4.13Å
90D84.2Confident84.5Confident33 Ų3349.9 Ų49.918%0.17627%0.274CS..  trans-81.7106178.4-178.68000111.4Q88 R92 N93 Y94Q88-D90 VanDerWaalsContact C-N 3.28Å; Q88-D90 PolarHBondContact O-N 2.88Å; D90-R92 VanDerWaalsContact C-N 3.3Å; D90-R92 PolarHBondContact O-N 3Å; D90-R92 WeakPolarHBondContact OD1-CB 3.34Å; D90-R92 PolarHBondContact OD1-N 2.87Å; D90-N93 PolarHBondContact OD2-ND2 3.15Å; D90-Y94 HydrophobicContact CB-CD2 4.36Å; D90-Y94 PolarHBondContact O-N 2.77Å
91L83.2Confident83.4Confident9 Ų945 Ų455%0.04725%0.248CC..Hα-helixtrans-69.9-24.1-179.9-71.2156.6000113.6V89 G95 Q100 V120 E121 L124 A140 Y143V89-L91 PolarHBondContact O-N 2.79Å; L91-G95 WeakPolarHBondContact O-CA 3.16Å; L91-G95 PolarHBondContact O-N 3.31Å; L91-Q100 PolarHBondContact O-NE2 2.84Å; L91-V120 HydrophobicContact CD2-CG1 3.93Å; L91-V120 HydrophobicContact CG-CG1 4.19Å; L91-E121 HydrophobicContact CD2-CG 3.62Å; L91-L124 HydrophobicContact CD1-CD2 3.45Å; L91-L124 VanDerWaalsContact CD1-CD2 3.45Å; L91-L124 HydrophobicContact CG-CD2 4.28Å; L91-A140 HydrophobicContact CD1-CB 4.41Å; L91-Y143 VanDerWaalsContact CD1-CB 3.4Å; L91-Y143 HydrophobicContact CD1-CD1 3.89Å; L91-Y143 HydrophobicContact CD1-CD2 4.23Å; L91-Y143 HydrophobicContact CD1-CG 3.57Å; L91-Y143 HydrophobicContact CD2-CD2 4.34Å; L91-Y143 HydrophobicContact CD2-CG 4.37Å
92R80.4Confident82Confident161 Ų16146.1 Ų46.161%0.60825%0.254SS*.Hα-helixtrans-72-42-174-173.9174.667.9169.10.5111.6D90 D139D90-R92 VanDerWaalsContact C-N 3.3Å; D90-R92 PolarHBondContact O-N 3Å; D90-R92 WeakPolarHBondContact OD1-CB 3.34Å; D90-R92 PolarHBondContact OD1-N 2.87Å; R92-D139 IonicContact NE-OD2 3.76Å
93N78.4Confident80.2Confident65 Ų6546.7 Ų46.735%0.34826%0.257SS..Hα-helixtrans-96.1-35.1-175.2-67.1-40.3000112.8D90D90-N93 PolarHBondContact OD2-ND2 3.15Å
94Y81.8Confident78.7Confident30 Ų3050 Ų5012%0.11827%0.268CS..Hα-helixtrans-119.4-1.6-169.6-57.1-76.1000114.3F73 S85 L86 D90 A113 A115F73-Y94 HydrophobicContact CD1-CD1 4.3Å; F73-Y94 AromaticContact CD1-CE1 3.66Å; F73-Y94 HydrophobicContact CD1-CE1 3.66Å; F73-Y94 AromaticContact CE1-CD1 3.96Å; F73-Y94 HydrophobicContact CE1-CD1 3.96Å; F73-Y94 AromaticContact CE1-CE1 3.58Å; F73-Y94 HydrophobicContact CE1-CE1 3.58Å; S85-Y94 VanDerWaalsContact CB-CZ 3.46Å; S85-Y94 WeakPolarHBondContact CB-OH 3.27Å; S85-Y94 PolarHBondContact OG-OH 3.27Å; L86-Y94 HydrophobicContact CD2-CD1 3.49Å; L86-Y94 VanDerWaalsContact CD2-CD1 3.49Å; L86-Y94 HydrophobicContact CD2-CE1 4.25Å; L86-Y94 HydrophobicContact CD2-CG 3.64Å; D90-Y94 HydrophobicContact CB-CD2 4.36Å; D90-Y94 PolarHBondContact O-N 2.77Å; Y94-A113 HydrophobicContact CD1-CB 4.15Å; Y94-A113 WeakPolarHBondContact CD1-O 3.24Å; Y94-A113 HydrophobicContact CE1-CB 3.98Å; Y94-A115 WeakPolarHBondContact O-CB 3.32Å; Y94-A115 PolarHBondContact O-N 3.27Å
95G79.6Confident77.1Confident0 Ų054 Ų540%029%0.294CS..  trans-66.6152.5-179.700000113.2L91 P97 E121L91-G95 WeakPolarHBondContact O-CA 3.16Å; L91-G95 PolarHBondContact O-N 3.31Å; G95-P97 WeakPolarHBondContact O-CD 3.4Å; G95-E121 WeakPolarHBondContact CA-OE1 3.47Å
96D81Confident75.7Confident8 Ų856.2 Ų56.24%0.04331%0.305CS..  trans-88.4114.7177-170.5-30.1000109.9T98 Y99 Q100 K114 E121D96-T98 PolarHBondContact O-N 3.46Å; D96-T98 WeakPolarHBondContact OD1-CB 3.41Å; D96-T98 PolarHBondContact OD1-N 3.38Å; D96-T98 PolarHBondContact OD1-OG1 2.79Å; D96-T98 PolarHBondContact OD2-OG1 3.3Å; D96-Y99 HydrophobicContact CB-CD2 3.74Å; D96-Y99 HydrophobicContact CB-CG 4.48Å; D96-Y99 WeakPolarHBondContact O-CA 3.28Å; D96-Y99 PolarHBondContact O-N 2.89Å; D96-Q100 PolarHBondContact O-N 2.63Å; D96-Q100 VanDerWaalsContact O-N 3.15Å; D96-K114 WeakPolarHBondContact OD1-CE 3.43Å; D96-K114 IonicContact OD1-NZ 2.62Å; D96-K114 PolarHBondContact OD1-NZ 3.28Å; D96-K114 WeakPolarHBondContact OD2-CE 3.07Å; D96-K114 IonicContact OD2-NZ 3.32Å; D96-K114 PolarHBondContact OD2-NZ 3.45Å; D96-E121 PolarHBondContact N-OE1 2.91Å
97P77.2Confident74.4Confident46 Ų4657.2 Ų57.230%0.29932%0.317SS..THydrogen-bonded Turntrans-58.3-21.1178.822.9-36000113.5G95 Y99G95-P97 WeakPolarHBondContact O-CD 3.4Å; P97-Y99 VanDerWaalsContact C-N 3.25Å; P97-Y99 PolarHBondContact O-N 2.94Å
98T77.3Confident73.1Confident62 Ų6263.2 Ų63.238%0.3833%0.33SS..THydrogen-bonded Turntrans-75.6-14.8175.367.10000113.4D96 H264D96-T98 PolarHBondContact O-N 3.46Å; D96-T98 WeakPolarHBondContact OD1-CB 3.41Å; D96-T98 PolarHBondContact OD1-N 3.38Å; D96-T98 PolarHBondContact OD1-OG1 2.79Å; D96-T98 PolarHBondContact OD2-OG1 3.3Å; T98-H264 PolarHBondContact O-ND1 3.18Å; T98-H264 VanDerWaalsContact O-ND1 3.15Å; T98-H264 PolarHBondContact OG1-CE1 3.12Å; T98-H264 VanDerWaalsContact OG1-CE1 3.22Å
99Y75.7Confident71.9Confident15 Ų1567.7 Ų67.76%0.05935%0.351CS..THydrogen-bonded Turntrans-107.7-9.6175.3-70.9-99.5000112.8D96 P97 M122 L260 H264D96-Y99 HydrophobicContact CB-CD2 3.74Å; D96-Y99 HydrophobicContact CB-CG 4.48Å; D96-Y99 WeakPolarHBondContact O-CA 3.28Å; D96-Y99 PolarHBondContact O-N 2.89Å; P97-Y99 VanDerWaalsContact C-N 3.25Å; P97-Y99 PolarHBondContact O-N 2.94Å; Y99-M122 HydrophobicContact CE1-CE 4.06Å; Y99-L260 HydrophobicContact CD1-CD1 4.4Å; Y99-L260 HydrophobicContact CD1-CD2 3.9Å; Y99-L260 HydrophobicContact CD1-CG 4.01Å; Y99-L260 HydrophobicContact CE1-CD2 4.23Å; Y99-L260 HydrophobicContact CE1-CG 4.45Å; Y99-H264 HydrophobicContact CD1-CB 4.12Å; Y99-H264 AromaticContact CD2-CE1 3.88Å; Y99-H264 AromaticContact CD2-ND1 3.74Å; Y99-H264 HydrophobicContact CE1-CB 3.73Å; Y99-H264 AromaticContact CE1-CG 3.62Å; Y99-H264 AromaticContact CE1-ND1 3.9Å; Y99-H264 AromaticContact CE2-CE1 3.38Å; Y99-H264 WeakPolarHBondContact CE2-CE1 3.32Å; Y99-H264 AromaticContact CE2-CG 3.94Å; Y99-H264 AromaticContact CE2-ND1 3.52Å; Y99-H264 AromaticContact CE2-NE2 3.74Å; Y99-H264 AromaticContact CZ-CD2 3.58Å; Y99-H264 AromaticContact CZ-CE1 3.72Å; Y99-H264 AromaticContact CZ-CG 3.51Å; Y99-H264 AromaticContact CZ-ND1 3.62Å; Y99-H264 AromaticContact CZ-NE2 3.72Å; Y99-H264 PolarHBondContact OH-CD2 2.98Å
100Q76.5Confident70.9Confident24 Ų2467.4 Ų67.411%0.11235%0.351CS..  trans-79.6129.4173.1-66.6-177.121.500111.1L91 D96 A102 R267L91-Q100 PolarHBondContact O-NE2 2.84Å; D96-Q100 PolarHBondContact O-N 2.63Å; D96-Q100 VanDerWaalsContact O-N 3.15Å; Q100-A102 VanDerWaalsContact C-N 3.34Å; Q100-R267 PolarHBondContact O-NH1 2.94Å
101M68.8Low69.9Low37 Ų3769.3 Ų69.318%0.18237%0.366CS..SBendtrans-74-28.5179.2-54.4-50.5161.300112.3F147 Q150 L260 L263M101-F147 HydrophobicContact CE-CD2 3.86Å; M101-Q150 HydrophobicContact CG-CB 4.5Å; M101-Q150 HydrophobicContact SD-CG 4.36Å; M101-L260 HydrophobicContact CE-CD1 4.4Å; M101-L263 HydrophobicContact CE-CD1 4.24Å; M101-L263 HydrophobicContact CE-CD2 3.34Å; M101-L263 HydrophobicContact CE-CG 4.39Å; M101-L263 HydrophobicContact SD-CD1 4.36Å; M101-L263 HydrophobicContact SD-CD2 3.56Å; M101-L263 VanDerWaalsContact SD-CD2 3.56Å
102A62.8Low69.1Low55 Ų5577.2 Ų77.246%0.45541%0.405SS..SBendtrans-95.6122.7173.400000109.2Q100 K104Q100-A102 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 3.49Å
103N58.2Low68.6Low139 Ų13970.7 Ų70.774%0.74339%0.386SS*.  trans-6881172.3-71.7-15.5000109.3R267N103-R267 PolarHBondContact OD1-NH2 2.86Å
104K60.8Low68.5Low108 Ų10870.1 Ų70.147%0.4738%0.38SS..PPolyproline II helixtrans-87.4126163.2-76.9-174.8-174.5174.80107.9A102 L106A102-K104 PolarHBondContact O-N 3.49Å; K104-L106 PolarHBondContact O-N 3.47Å; K104-L106 VanDerWaalsContact O-N 3.16Å
105P58.6Low68.2Low130 Ų13069.2 Ų69.284%0.84438%0.379SS*.PPolyproline II helixtrans-64.7117.9173.426.4-31.6000108.6
106L60.6Low68.1Low49 Ų4978.4 Ų78.426%0.25741%0.414SS..PPolyproline II helixtrans-73.6135.7173.8-164.468.6000108.6K104 A110K104-L106 PolarHBondContact O-N 3.47Å; K104-L106 VanDerWaalsContact O-N 3.16Å; L106-A110 HydrophobicContact CD1-CB 3.62Å; L106-A110 HydrophobicContact CD2-CB 3.95Å; L106-A110 HydrophobicContact CG-CB 3.53Å
107S59.6Low67.8Low71 Ų7184.1 Ų84.150%0.49744%0.44SS..PPolyproline II helixtrans-60.5150.7174.666.90000110.2E109 A110 S111S107-E109 PolarHBondContact O-N 2.91Å; S107-A110 PolarHBondContact O-N 2.96Å; S107-A110 VanDerWaalsContact O-N 3.08Å; S107-A110 WeakPolarHBondContact OG-CB 3.49Å; S107-A110 PolarHBondContact OG-N 3.21Å; S107-S111 PolarHBondContact O-N 3.4Å; S107-S111 VanDerWaalsContact O-N 3.12Å
108K59.5Low68Low193 Ų19382 Ų8284%0.83943%0.426SS*.Hα-helixtrans-55.5-37-178.5-74.1-176177.7179.20112.2S111K108-S111 WeakPolarHBondContact O-CB 3.39Å; K108-S111 PolarHBondContact O-N 2.9Å; K108-S111 PolarHBondContact O-OG 2.97Å
109E62Low68.3Low170 Ų17084.4 Ų84.479%0.79443%0.431SS*.Hα-helixtrans-66-43.1177.9-68.4175.1174.900112.1S107 S111 M112 A113S107-E109 PolarHBondContact O-N 2.91Å; E109-S111 PolarHBondContact O-N 3.4Å; E109-M112 PolarHBondContact O-N 3.3Å; E109-A113 PolarHBondContact O-N 3.22Å
110A62.4Low68.9Low11 Ų1183.8 Ų83.89%0.09143%0.429CS..Hα-helixtrans-67.1-22.2176.700000112.6L106 S107 M112 A113 K114L106-A110 HydrophobicContact CD1-CB 3.62Å; L106-A110 HydrophobicContact CD2-CB 3.95Å; L106-A110 HydrophobicContact CG-CB 3.53Å; S107-A110 PolarHBondContact O-N 2.96Å; S107-A110 VanDerWaalsContact O-N 3.08Å; S107-A110 WeakPolarHBondContact OG-CB 3.49Å; S107-A110 PolarHBondContact OG-N 3.21Å; A110-M112 VanDerWaalsContact C-N 3.32Å; A110-M112 PolarHBondContact O-N 3.22Å; A110-A113 PolarHBondContact O-N 3.38Å; A110-K114 WeakPolarHBondContact O-CB 3.29Å; A110-K114 PolarHBondContact O-N 2.97Å
111S63.1Low69.3Low73 Ų7382.7 Ų82.751%0.5142%0.424SS..Hα-helixtrans-64.1-33.2175.381.30000113.8S107 K108 E109 K114S107-S111 PolarHBondContact O-N 3.4Å; S107-S111 VanDerWaalsContact O-N 3.12Å; K108-S111 WeakPolarHBondContact O-CB 3.39Å; K108-S111 PolarHBondContact O-N 2.9Å; K108-S111 PolarHBondContact O-OG 2.97Å; E109-S111 PolarHBondContact O-N 3.4Å; S111-K114 WeakPolarHBondContact O-CB 3.44Å
112M66.2Low70Confident174 Ų17481.4 Ų81.486%0.85742%0.417SS*.Hα-helixtrans-80.9-32.1176.8-168.7166.874.500111.5E109 A110 K114E109-M112 PolarHBondContact O-N 3.3Å; A110-M112 VanDerWaalsContact C-N 3.32Å; A110-M112 PolarHBondContact O-N 3.22Å; M112-K114 VanDerWaalsContact C-N 3.32Å
113A71.2Confident71.1Confident25 Ų2580.6 Ų80.621%0.20741%0.409CS..Hα-helixtrans-81.6-11.1179.400000114.3F73 Y94 E109 A110F73-A113 HydrophobicContact CE1-CB 3.85Å; F73-A113 WeakPolarHBondContact CE1-O 3.32Å; F73-A113 HydrophobicContact CZ-CB 3.86Å; Y94-A113 HydrophobicContact CD1-CB 4.15Å; Y94-A113 WeakPolarHBondContact CD1-O 3.24Å; Y94-A113 HydrophobicContact CE1-CB 3.98Å; E109-A113 PolarHBondContact O-N 3.22Å; A110-A113 PolarHBondContact O-N 3.38Å
114K76.3Confident72.5Confident52 Ų5274 Ų7423%0.22637%0.374CS..PPolyproline II helixtrans-53.9134.9-175.6172.6-177.7163.2171.80113.9D96 A110 S111 M112 R116D96-K114 WeakPolarHBondContact OD1-CE 3.43Å; D96-K114 IonicContact OD1-NZ 2.62Å; D96-K114 PolarHBondContact OD1-NZ 3.28Å; D96-K114 WeakPolarHBondContact OD2-CE 3.07Å; D96-K114 IonicContact OD2-NZ 3.32Å; D96-K114 PolarHBondContact OD2-NZ 3.45Å; A110-K114 WeakPolarHBondContact O-CB 3.29Å; A110-K114 PolarHBondContact O-N 2.97Å; S111-K114 WeakPolarHBondContact O-CB 3.44Å; M112-K114 VanDerWaalsContact C-N 3.32Å; K114-R116 PolarHBondContact O-N 3.28Å
115A75.2Confident73.7Confident11 Ų1169.3 Ų69.39%0.09135%0.353CS..PPolyproline II helixtrans-68.5121.616900000110.7L86 Y94 K119 V120L86-A115 HydrophobicContact CD2-CB 4.42Å; Y94-A115 WeakPolarHBondContact O-CB 3.32Å; Y94-A115 PolarHBondContact O-N 3.27Å; A115-K119 HydrophobicContact CB-CB 4.47Å; A115-V120 HydrophobicContact CB-CB 4.38Å; A115-V120 HydrophobicContact CB-CG2 3.45Å; A115-V120 VanDerWaalsContact CB-CG2 3.45Å
116R76.9Confident74.9Confident194 Ų19467.6 Ų67.673%0.73233%0.334SS*.G310 helixtrans-74.2144.4178-66.3-177.1168.4179.4-3.7111.5K114 K119K114-R116 PolarHBondContact O-N 3.28Å; R116-K119 WeakPolarHBondContact O-CD 3.02Å; R116-K119 VanDerWaalsContact O-CG 3.29Å; R116-K119 WeakPolarHBondContact O-CG 3.07Å
117H75.6Confident76.2Confident128 Ų12869.1 Ų69.159%0.59334%0.339SS*.G310 helixtrans69.228174.4-47.194000115K119H117-K119 PolarHBondContact O-N 3.13Å
118G80.1Confident77.5Confident0 Ų067.7 Ų67.70%033%0.325CS..G310 helixtrans62.527.1177.900000113.9V120 E121 M122G118-V120 PolarHBondContact O-N 3.02Å; G118-E121 WeakPolarHBondContact CA-OE2 3.48Å; G118-E121 PolarHBondContact O-N 3.34Å; G118-M122 WeakPolarHBondContact O-CB 3.44Å; G118-M122 WeakPolarHBondContact O-CG 3.39Å; G118-M122 PolarHBondContact O-N 3.48Å
119K83.6Confident78.6Confident113 Ų11360.4 Ų60.449%0.49130%0.298SS..Hα-helixtrans-59.8-35.5-175.8-78.7177.7179.4-1700112.4Y12 A115 R116 H117 S123Y12-K119 HydrophobicContact CE1-CG 4.37Å; A115-K119 HydrophobicContact CB-CB 4.47Å; R116-K119 WeakPolarHBondContact O-CD 3.02Å; R116-K119 VanDerWaalsContact O-CG 3.29Å; R116-K119 WeakPolarHBondContact O-CG 3.07Å; H117-K119 PolarHBondContact O-N 3.13Å; K119-S123 WeakPolarHBondContact O-CB 3.37Å; K119-S123 PolarHBondContact O-N 2.96Å; K119-S123 PolarHBondContact O-OG 3.39Å; K119-S123 VanDerWaalsContact O-OG 3.12Å
120V88.1Confident79.7Confident3 Ų356 Ų562%0.01828%0.283CS..Hα-helixtrans-66.6-49.5178.6170.40000109.5V89 L91 A115 G118 M122 S123 L124V89-V120 HydrophobicContact CG1-CG1 3.88Å; V89-V120 VanDerWaalsContact CG1-O 3.31Å; V89-V120 WeakPolarHBondContact CG1-O 3.38Å; L91-V120 HydrophobicContact CD2-CG1 3.93Å; L91-V120 HydrophobicContact CG-CG1 4.19Å; A115-V120 HydrophobicContact CB-CB 4.38Å; A115-V120 HydrophobicContact CB-CG2 3.45Å; A115-V120 VanDerWaalsContact CB-CG2 3.45Å; G118-V120 PolarHBondContact O-N 3.02Å; V120-M122 PolarHBondContact O-N 3.06Å; V120-S123 WeakPolarHBondContact CA-OG 3.32Å; V120-S123 PolarHBondContact O-N 2.85Å; V120-S123 PolarHBondContact O-OG 3.21Å; V120-L124 WeakPolarHBondContact O-CB 3.36Å; V120-L124 PolarHBondContact O-N 3.37Å
121E86.8Confident81Confident0 Ų058.6 Ų58.60%030%0.295CS..Hα-helixtrans-60.6-47.2178.4-64.577.1-178.700111.8L91 G95 D96 G118 L124 L125 Y143 L260L91-E121 HydrophobicContact CD2-CG 3.62Å; G95-E121 WeakPolarHBondContact CA-OE1 3.47Å; D96-E121 PolarHBondContact N-OE1 2.91Å; G118-E121 WeakPolarHBondContact CA-OE2 3.48Å; G118-E121 PolarHBondContact O-N 3.34Å; E121-L124 WeakPolarHBondContact O-CB 3.5Å; E121-L124 PolarHBondContact O-N 3.32Å; E121-L125 WeakPolarHBondContact O-CG 3.48Å; E121-L125 PolarHBondContact O-N 3.21Å; E121-Y143 HydrophobicContact CB-CE1 4.44Å; E121-Y143 WeakPolarHBondContact CB-OH 3.5Å; E121-Y143 HydrophobicContact CG-CE1 4.4Å; E121-Y143 HydrophobicContact CG-CE2 3.96Å; E121-Y143 WeakPolarHBondContact CG-OH 3.3Å; E121-L260 HydrophobicContact CB-CD2 4.17Å
122M82Confident82Confident10 Ų1060.5 Ų60.55%0.04931%0.306CS..Hα-helixtrans-63-43176.5-70.4-177.5-173.200111.4Y12 Y99 G118 V120 L124 L125 H126 L260Y12-M122 HydrophobicContact CD1-SD 4.23Å; Y12-M122 HydrophobicContact CE1-SD 3.77Å; Y99-M122 HydrophobicContact CE1-CE 4.06Å; G118-M122 WeakPolarHBondContact O-CB 3.44Å; G118-M122 WeakPolarHBondContact O-CG 3.39Å; G118-M122 PolarHBondContact O-N 3.48Å; V120-M122 PolarHBondContact O-N 3.06Å; M122-L124 VanDerWaalsContact C-N 3.3Å; M122-L124 PolarHBondContact O-N 2.62Å; M122-L125 PolarHBondContact O-N 3.28Å; M122-H126 WeakPolarHBondContact O-CB 3.29Å; M122-H126 PolarHBondContact O-N 3.48Å; M122-L260 HydrophobicContact CE-CD2 4.31Å; M122-L260 HydrophobicContact CG-CD2 3.66Å
123S86.8Confident83.1Confident39 Ų3964 Ų6427%0.27331%0.31SS..Hα-helixtrans-64.4-35.6176.473.50000112K119 V120 H126 F127K119-S123 WeakPolarHBondContact O-CB 3.37Å; K119-S123 PolarHBondContact O-N 2.96Å; K119-S123 PolarHBondContact O-OG 3.39Å; K119-S123 VanDerWaalsContact O-OG 3.12Å; V120-S123 WeakPolarHBondContact CA-OG 3.32Å; V120-S123 PolarHBondContact O-N 2.85Å; V120-S123 PolarHBondContact O-OG 3.21Å; S123-H126 PolarHBondContact O-N 3.47Å; S123-F127 WeakPolarHBondContact O-CB 3.43Å; S123-F127 PolarHBondContact O-N 3.23Å
124L87.4Confident83.9Confident1 Ų167 Ų671%0.00532%0.316CS..Hα-helixtrans-63.6-51.7176.7-174.959.2000111.5V89 L91 V120 E121 M122 H126 F127 I128 W134 A140 Y143V89-L124 HydrophobicContact CB-CD1 4.49Å; V89-L124 HydrophobicContact CG1-CB 3.44Å; V89-L124 VanDerWaalsContact CG1-CB 3.44Å; V89-L124 HydrophobicContact CG1-CD1 3.82Å; V89-L124 HydrophobicContact CG1-CG 4.13Å; L91-L124 HydrophobicContact CD1-CD2 3.45Å; L91-L124 VanDerWaalsContact CD1-CD2 3.45Å; L91-L124 HydrophobicContact CG-CD2 4.28Å; V120-L124 WeakPolarHBondContact O-CB 3.36Å; V120-L124 PolarHBondContact O-N 3.37Å; E121-L124 WeakPolarHBondContact O-CB 3.5Å; E121-L124 PolarHBondContact O-N 3.32Å; M122-L124 VanDerWaalsContact C-N 3.3Å; M122-L124 PolarHBondContact O-N 2.62Å; L124-H126 VanDerWaalsContact C-N 3.31Å; L124-H126 PolarHBondContact O-N 2.98Å; L124-F127 PolarHBondContact O-N 3.35Å; L124-I128 HydrophobicContact CD1-CD1 3.74Å; L124-I128 HydrophobicContact CD1-CG1 4.24Å; L124-I128 HydrophobicContact CG-CD1 3.71Å; L124-I128 WeakPolarHBondContact O-CD1 3.11Å; L124-I128 VanDerWaalsContact O-CG1 3.3Å; L124-I128 WeakPolarHBondContact O-CG1 3.37Å; L124-I128 PolarHBondContact O-N 3.07Å; L124-W134 HydrophobicContact CD1-CH2 4.04Å; L124-W134 HydrophobicContact CD1-CZ3 3.97Å; L124-A140 HydrophobicContact CD1-CB 3.96Å; L124-A140 HydrophobicContact CD2-CB 3.79Å; L124-Y143 HydrophobicContact CD2-CD1 3.95Å
125L84.9Confident84.5Confident8 Ų872.8 Ų72.84%0.04234%0.344CS..Hα-helixtrans-60.1-44.9179.2-67.7175.1000110.4E121 M122 F127 S129 L144 F147 D256 L260E121-L125 WeakPolarHBondContact O-CG 3.48Å; E121-L125 PolarHBondContact O-N 3.21Å; M122-L125 PolarHBondContact O-N 3.28Å; L125-F127 PolarHBondContact O-N 3.22Å; L125-S129 VanDerWaalsContact O-CB 3.28Å; L125-S129 WeakPolarHBondContact O-CB 3.33Å; L125-S129 PolarHBondContact O-N 3.04Å; L125-S129 VanDerWaalsContact O-N 3.12Å; L125-S129 PolarHBondContact O-OG 3.39Å; L125-L144 HydrophobicContact CD2-CD2 3.85Å; L125-F147 HydrophobicContact CD1-CE1 4.46Å; L125-F147 HydrophobicContact CD1-CE2 4.43Å; L125-F147 HydrophobicContact CD1-CZ 4.07Å; L125-F147 HydrophobicContact CD2-CD1 4.37Å; L125-F147 HydrophobicContact CD2-CE1 4.18Å; L125-D256 HydrophobicContact CD1-CB 4.4Å; L125-L260 HydrophobicContact CD1-CB 4.18Å; L125-L260 HydrophobicContact CD1-CD1 4.2Å; L125-L260 HydrophobicContact CD1-CD2 4.13Å; L125-L260 HydrophobicContact CD1-CG 4.39Å
126H85.2Confident85Confident95 Ų9573.9 Ų73.944%0.4435%0.349SS..Hα-helixtrans-60.7-46175.6-175.563.9000112M122 S123 L124 S129 T130 I257M122-H126 WeakPolarHBondContact O-CB 3.29Å; M122-H126 PolarHBondContact O-N 3.48Å; S123-H126 PolarHBondContact O-N 3.47Å; L124-H126 VanDerWaalsContact C-N 3.31Å; L124-H126 PolarHBondContact O-N 2.98Å; H126-S129 PolarHBondContact O-N 2.91Å; H126-S129 PolarHBondContact O-OG 3.32Å; H126-T130 WeakPolarHBondContact O-CB 3.41Å; H126-T130 PolarHBondContact O-N 3.4Å; H126-T130 PolarHBondContact O-OG1 2.57Å; H126-T130 VanDerWaalsContact O-OG1 3.05Å; H126-I257 HydrophobicContact CB-CD1 4.42Å
127F88.1Confident85.6Confident81 Ų8167.8 Ų67.836%0.35534%0.335SS..Hα-helixtrans-63.6-45.8-176.9-169.7-98000112.5S123 L124 L125 S129 T130 N131 W134S123-F127 WeakPolarHBondContact O-CB 3.43Å; S123-F127 PolarHBondContact O-N 3.23Å; L124-F127 PolarHBondContact O-N 3.35Å; L125-F127 PolarHBondContact O-N 3.22Å; F127-S129 VanDerWaalsContact C-N 3.31Å; F127-S129 PolarHBondContact O-N 2.83Å; F127-T130 PolarHBondContact O-N 3.15Å; F127-N131 WeakPolarHBondContact O-CB 3.44Å; F127-N131 PolarHBondContact O-N 2.99Å; F127-N131 PolarHBondContact O-ND2 3.47Å; F127-N131 VanDerWaalsContact O-ND2 3.11Å; F127-W134 AromaticContact CD1-CD2 3.8Å; F127-W134 HydrophobicContact CD1-CD2 3.8Å; F127-W134 AromaticContact CD1-CE3 3.61Å; F127-W134 HydrophobicContact CD1-CE3 3.61Å; F127-W134 HydrophobicContact CD1-CG 4.35Å; F127-W134 HydrophobicContact CD1-CH2 4.16Å; F127-W134 HydrophobicContact CD1-CZ2 4.36Å; F127-W134 AromaticContact CD1-CZ3 3.79Å; F127-W134 HydrophobicContact CD1-CZ3 3.79Å; F127-W134 HydrophobicContact CE1-CB 4.19Å; F127-W134 AromaticContact CE1-CD1 3.9Å; F127-W134 AromaticContact CE1-CD2 3.39Å; F127-W134 HydrophobicContact CE1-CD2 3.39Å; F127-W134 AromaticContact CE1-CE2 3.6Å; F127-W134 AromaticContact CE1-CE3 3.73Å; F127-W134 HydrophobicContact CE1-CE3 3.73Å; F127-W134 AromaticContact CE1-CG 3.59Å; F127-W134 HydrophobicContact CE1-CG 3.59Å; F127-W134 HydrophobicContact CE1-CH2 4.36Å; F127-W134 HydrophobicContact CE1-CZ2 4.1Å; F127-W134 HydrophobicContact CE1-CZ3 4.19Å; F127-W134 AromaticContact CE1-NE1 3.92Å
128I86.6Confident86.2Confident41 Ų4165.5 Ų65.521%0.2134%0.338CS..Hα-helixtrans-63.6-40.9178.4-68.3161.3000110.9L124 T130 N131 W134 L144L124-I128 HydrophobicContact CD1-CD1 3.74Å; L124-I128 HydrophobicContact CD1-CG1 4.24Å; L124-I128 HydrophobicContact CG-CD1 3.71Å; L124-I128 WeakPolarHBondContact O-CD1 3.11Å; L124-I128 VanDerWaalsContact O-CG1 3.3Å; L124-I128 WeakPolarHBondContact O-CG1 3.37Å; L124-I128 PolarHBondContact O-N 3.07Å; I128-T130 VanDerWaalsContact C-N 3.32Å; I128-T130 PolarHBondContact O-N 3.2Å; I128-N131 CarbonylContact O-C 3.29Å; I128-N131 VanDerWaalsContact O-C 3.29Å; I128-N131 PolarHBondContact O-N 3.43Å; I128-W134 HydrophobicContact CD1-CZ3 4.37Å; I128-W134 HydrophobicContact CG1-CE3 3.94Å; I128-W134 HydrophobicContact CG1-CZ3 3.71Å; I128-L144 HydrophobicContact CD1-CD1 3.42Å; I128-L144 VanDerWaalsContact CD1-CD1 3.42Å; I128-L144 HydrophobicContact CD1-CD2 3.7Å; I128-L144 HydrophobicContact CD1-CG 4.05Å
129S81.8Confident86.5Confident39 Ų3968 Ų6827%0.27335%0.352SS..Hα-helixtrans-69.4-32.6-177.578.80000112.9L125 H126 F127 V253L125-S129 VanDerWaalsContact O-CB 3.28Å; L125-S129 WeakPolarHBondContact O-CB 3.33Å; L125-S129 PolarHBondContact O-N 3.04Å; L125-S129 VanDerWaalsContact O-N 3.12Å; L125-S129 PolarHBondContact O-OG 3.39Å; H126-S129 PolarHBondContact O-N 2.91Å; H126-S129 PolarHBondContact O-OG 3.32Å; F127-S129 VanDerWaalsContact C-N 3.31Å; F127-S129 PolarHBondContact O-N 2.83Å; S129-V253 WeakPolarHBondContact OG-CG1 3.26Å; S129-V253 WeakPolarHBondContact OG-CG2 3.49Å
130T86.3Confident86.6Confident78 Ų7862.7 Ų62.748%0.47933%0.329SS..Hα-helixtrans-81.8-31.5177.3-59.30000111.2H126 F127 I128 P132H126-T130 WeakPolarHBondContact O-CB 3.41Å; H126-T130 PolarHBondContact O-N 3.4Å; H126-T130 PolarHBondContact O-OG1 2.57Å; H126-T130 VanDerWaalsContact O-OG1 3.05Å; F127-T130 PolarHBondContact O-N 3.15Å; I128-T130 VanDerWaalsContact C-N 3.32Å; I128-T130 PolarHBondContact O-N 3.2Å; T130-P132 VanDerWaalsContact O-CD 3.31Å; T130-P132 WeakPolarHBondContact O-CD 3.17Å
131N88.8Confident86.6Confident66 Ų6665.2 Ų65.235%0.35334%0.344SS..  trans-120.875.3-176.7-57.7-77.5000111.3F127 I128 R133 W134F127-N131 WeakPolarHBondContact O-CB 3.44Å; F127-N131 PolarHBondContact O-N 2.99Å; F127-N131 PolarHBondContact O-ND2 3.47Å; F127-N131 VanDerWaalsContact O-ND2 3.11Å; I128-N131 CarbonylContact O-C 3.29Å; I128-N131 VanDerWaalsContact O-C 3.29Å; I128-N131 PolarHBondContact O-N 3.43Å; N131-R133 PolarHBondContact O-N 3.2Å; N131-R133 VanDerWaalsContact O-N 3.1Å; N131-W134 HydrophobicContact CB-CB 4.02Å; N131-W134 WeakPolarHBondContact O-CB 3.47Å; N131-W134 PolarHBondContact O-N 3.38Å
132P85.1Confident86.6Confident113 Ų11370.3 Ų70.373%0.73437%0.368SS*.THydrogen-bonded Turntrans-67.4-14.4-17727.4-36.2000114T130T130-P132 VanDerWaalsContact O-CD 3.31Å; T130-P132 WeakPolarHBondContact O-CD 3.17Å
133R88.1Confident86.9Confident247 Ų24770.3 Ų70.393%0.93237%0.368SS*.THydrogen-bonded Turntrans-87.7-7.5176.1-63.7-175.9-176168.31.7113.3N131N131-R133 PolarHBondContact O-N 3.2Å; N131-R133 VanDerWaalsContact O-N 3.1Å
134W88.1Confident86.8Confident88 Ų8869.2 Ų69.233%0.33336%0.359SS..  trans-78.8132.6-179.9177.873.2000110.8L124 F127 I128 N131 P136L124-W134 HydrophobicContact CD1-CH2 4.04Å; L124-W134 HydrophobicContact CD1-CZ3 3.97Å; F127-W134 AromaticContact CD1-CD2 3.8Å; F127-W134 HydrophobicContact CD1-CD2 3.8Å; F127-W134 AromaticContact CD1-CE3 3.61Å; F127-W134 HydrophobicContact CD1-CE3 3.61Å; F127-W134 HydrophobicContact CD1-CG 4.35Å; F127-W134 HydrophobicContact CD1-CH2 4.16Å; F127-W134 HydrophobicContact CD1-CZ2 4.36Å; F127-W134 AromaticContact CD1-CZ3 3.79Å; F127-W134 HydrophobicContact CD1-CZ3 3.79Å; F127-W134 HydrophobicContact CE1-CB 4.19Å; F127-W134 AromaticContact CE1-CD1 3.9Å; F127-W134 AromaticContact CE1-CD2 3.39Å; F127-W134 HydrophobicContact CE1-CD2 3.39Å; F127-W134 AromaticContact CE1-CE2 3.6Å; F127-W134 AromaticContact CE1-CE3 3.73Å; F127-W134 HydrophobicContact CE1-CE3 3.73Å; F127-W134 AromaticContact CE1-CG 3.59Å; F127-W134 HydrophobicContact CE1-CG 3.59Å; F127-W134 HydrophobicContact CE1-CH2 4.36Å; F127-W134 HydrophobicContact CE1-CZ2 4.1Å; F127-W134 HydrophobicContact CE1-CZ3 4.19Å; F127-W134 AromaticContact CE1-NE1 3.92Å; I128-W134 HydrophobicContact CD1-CZ3 4.37Å; I128-W134 HydrophobicContact CG1-CE3 3.94Å; I128-W134 HydrophobicContact CG1-CZ3 3.71Å; N131-W134 HydrophobicContact CB-CB 4.02Å; N131-W134 WeakPolarHBondContact O-CB 3.47Å; N131-W134 PolarHBondContact O-N 3.38Å; W134-P136 HydrophobicContact CE3-CB 4.13Å; W134-P136 HydrophobicContact CH2-CB 3.99Å; W134-P136 HydrophobicContact CZ3-CB 3.62Å; W134-P136 WeakPolarHBondContact O-CD 3.32Å
135E88.3Confident86.8Confident174 Ų17473.4 Ų73.481%0.81338%0.381SS*.  trans-92.1113.4176.8-170.4171.9-177.700109.9
136P87.1Confident86.8Confident33 Ų3374.7 Ų74.721%0.21439%0.391CS..  trans-71.8148.5-178.326.3-33000112.3W134 A140 V141 L144W134-P136 HydrophobicContact CE3-CB 4.13Å; W134-P136 HydrophobicContact CH2-CB 3.99Å; W134-P136 HydrophobicContact CZ3-CB 3.62Å; W134-P136 WeakPolarHBondContact O-CD 3.32Å; P136-A140 HydrophobicContact CB-CB 3.9Å; P136-V141 HydrophobicContact CB-CG2 4.19Å; P136-V141 HydrophobicContact CG-CG2 3.66Å; P136-L144 HydrophobicContact CG-CD1 4.38Å
137P88.2Confident86.8Confident66 Ų6670.5 Ų70.543%0.42937%0.371SS..  trans-63.8159.9172.826.7-33.6000111.8D139 A140 V141P137-D139 PolarHBondContact O-N 2.95Å; P137-D139 VanDerWaalsContact O-N 3.14Å; P137-A140 HydrophobicContact CG-CB 3.97Å; P137-A140 WeakPolarHBondContact O-CB 3.37Å; P137-A140 PolarHBondContact O-N 3.05Å; P137-V141 PolarHBondContact O-N 2.82Å
138A88.2Confident86.6Confident80 Ų8073.5 Ų73.566%0.66138%0.38SS*.Hα-helixtrans-53.6-38.8-174.900000113.8V141 Q142A138-V141 PolarHBondContact O-N 3.02Å; A138-Q142 PolarHBondContact O-N 3.16Å
139D86.3Confident86.5Confident52 Ų5273.6 Ų73.628%0.27839%0.387SS..Hα-helixtrans-65-40.2178.3-67.9-24.6000112R92 P137 Q142 Y143R92-D139 IonicContact NE-OD2 3.76Å; P137-D139 PolarHBondContact O-N 2.95Å; P137-D139 VanDerWaalsContact O-N 3.14Å; D139-Q142 PolarHBondContact O-N 3.48Å; D139-Y143 PolarHBondContact O-N 3.39Å; D139-Y143 VanDerWaalsContact O-N 3.11Å
140A86.5Confident86.5Confident2 Ų274.3 Ų74.32%0.01739%0.386CS..Hα-helixtrans-68-39.4174.900000112L91 L124 P136 P137 Q142 Y143 L144L91-A140 HydrophobicContact CD1-CB 4.41Å; L124-A140 HydrophobicContact CD1-CB 3.96Å; L124-A140 HydrophobicContact CD2-CB 3.79Å; P136-A140 HydrophobicContact CB-CB 3.9Å; P137-A140 HydrophobicContact CG-CB 3.97Å; P137-A140 WeakPolarHBondContact O-CB 3.37Å; P137-A140 PolarHBondContact O-N 3.05Å; A140-Q142 PolarHBondContact O-N 2.92Å; A140-Y143 PolarHBondContact O-N 3.25Å; A140-L144 WeakPolarHBondContact O-CG 3.43Å; A140-L144 PolarHBondContact O-N 3.2Å
141V87.7Confident86.2Confident56 Ų5671.7 Ų71.734%0.33937%0.372SS..Hα-helixtrans-61.3-44.4174.3176.90000111.3P136 P137 A138 Y143 L144 N145P136-V141 HydrophobicContact CB-CG2 4.19Å; P136-V141 HydrophobicContact CG-CG2 3.66Å; P137-V141 PolarHBondContact O-N 2.82Å; A138-V141 PolarHBondContact O-N 3.02Å; V141-Y143 VanDerWaalsContact C-N 3.31Å; V141-Y143 PolarHBondContact O-N 3.04Å; V141-L144 PolarHBondContact O-N 3.34Å; V141-N145 WeakPolarHBondContact O-CB 3.26Å; V141-N145 VanDerWaalsContact O-CG 3.28Å; V141-N145 PolarHBondContact O-N 3.41Å; V141-N145 PolarHBondContact O-ND2 3.13Å
142Q88.3Confident85.8Confident107 Ų10772.1 Ų72.150%0.538%0.375SS..Hα-helixtrans-58.5-45.6176.4177.4170.756.600111.1A138 D139 A140 N145 S146A138-Q142 PolarHBondContact O-N 3.16Å; D139-Q142 PolarHBondContact O-N 3.48Å; A140-Q142 PolarHBondContact O-N 2.92Å; Q142-N145 PolarHBondContact O-N 3.32Å; Q142-S146 PolarHBondContact O-N 2.78Å
143Y86.5Confident85.7Confident11 Ų1172.6 Ų72.64%0.04337%0.365CS..Hα-helixtrans-61.6-49177.1175.5-97.1000112.2L91 E121 L124 D139 A140 V141 N145 S146 F147 L260L91-Y143 VanDerWaalsContact CD1-CB 3.4Å; L91-Y143 HydrophobicContact CD1-CD1 3.89Å; L91-Y143 HydrophobicContact CD1-CD2 4.23Å; L91-Y143 HydrophobicContact CD1-CG 3.57Å; L91-Y143 HydrophobicContact CD2-CD2 4.34Å; L91-Y143 HydrophobicContact CD2-CG 4.37Å; E121-Y143 HydrophobicContact CB-CE1 4.44Å; E121-Y143 WeakPolarHBondContact CB-OH 3.5Å; E121-Y143 HydrophobicContact CG-CE1 4.4Å; E121-Y143 HydrophobicContact CG-CE2 3.96Å; E121-Y143 WeakPolarHBondContact CG-OH 3.3Å; L124-Y143 HydrophobicContact CD2-CD1 3.95Å; D139-Y143 PolarHBondContact O-N 3.39Å; D139-Y143 VanDerWaalsContact O-N 3.11Å; A140-Y143 PolarHBondContact O-N 3.25Å; V141-Y143 VanDerWaalsContact C-N 3.31Å; V141-Y143 PolarHBondContact O-N 3.04Å; Y143-N145 VanDerWaalsContact C-N 3.32Å; Y143-N145 PolarHBondContact O-N 3.16Å; Y143-S146 PolarHBondContact O-N 3.12Å; Y143-S146 VanDerWaalsContact O-N 3.1Å; Y143-S146 PolarHBondContact O-OG 2.82Å; Y143-F147 WeakPolarHBondContact O-CB 3.22Å; Y143-F147 PolarHBondContact O-N 3.13Å; Y143-L260 WeakPolarHBondContact OH-CD1 3.43Å
144L86.1Confident85.1Confident16 Ų1661.5 Ų61.58%0.08432%0.324CS..Hα-helixtrans-60.2-40.6179.2-68.9164.3000112.4L125 I128 P136 A140 V141 S146 F147 R148L125-L144 HydrophobicContact CD2-CD2 3.85Å; I128-L144 HydrophobicContact CD1-CD1 3.42Å; I128-L144 VanDerWaalsContact CD1-CD1 3.42Å; I128-L144 HydrophobicContact CD1-CD2 3.7Å; I128-L144 HydrophobicContact CD1-CG 4.05Å; P136-L144 HydrophobicContact CG-CD1 4.38Å; A140-L144 WeakPolarHBondContact O-CG 3.43Å; A140-L144 PolarHBondContact O-N 3.2Å; V141-L144 PolarHBondContact O-N 3.34Å; L144-S146 VanDerWaalsContact C-N 3.34Å; L144-F147 PolarHBondContact O-N 3.25Å; L144-R148 WeakPolarHBondContact O-CB 3.31Å; L144-R148 WeakPolarHBondContact O-CG 3.43Å; L144-R148 PolarHBondContact O-N 2.79Å
145N86.7Confident84.3Confident88 Ų8857.8 Ų57.847%0.47131%0.312SS..Hα-helixtrans-64.6-41175.8-71.9-22.4000111.3V141 Q142 Y143 F147 A149V141-N145 WeakPolarHBondContact O-CB 3.26Å; V141-N145 VanDerWaalsContact O-CG 3.28Å; V141-N145 PolarHBondContact O-N 3.41Å; V141-N145 PolarHBondContact O-ND2 3.13Å; Q142-N145 PolarHBondContact O-N 3.32Å; Y143-N145 VanDerWaalsContact C-N 3.32Å; Y143-N145 PolarHBondContact O-N 3.16Å; N145-F147 VanDerWaalsContact C-N 3.34Å; N145-A149 VanDerWaalsContact O-CB 3.24Å; N145-A149 WeakPolarHBondContact O-CB 3.3Å; N145-A149 PolarHBondContact O-N 2.95Å
146S85.9Confident83.9Confident35 Ų3558 Ų5825%0.24531%0.305CS..Hα-helixtrans-66-37.2175.377.10000112.6Q142 Y143 L144 Q150Q142-S146 PolarHBondContact O-N 2.78Å; Y143-S146 PolarHBondContact O-N 3.12Å; Y143-S146 VanDerWaalsContact O-N 3.1Å; Y143-S146 PolarHBondContact O-OG 2.82Å; L144-S146 VanDerWaalsContact C-N 3.34Å; S146-Q150 WeakPolarHBondContact O-CB 3.39Å; S146-Q150 PolarHBondContact O-N 2.85Å
147F84.1Confident83.4Confident8 Ų861.4 Ų61.44%0.03532%0.322CS..Hα-helixtrans-67.4-48.1177179-101.8000111.4M101 L125 Y143 L144 N145 Q150 A151 Y259 L260M101-F147 HydrophobicContact CE-CD2 3.86Å; L125-F147 HydrophobicContact CD1-CE1 4.46Å; L125-F147 HydrophobicContact CD1-CE2 4.43Å; L125-F147 HydrophobicContact CD1-CZ 4.07Å; L125-F147 HydrophobicContact CD2-CD1 4.37Å; L125-F147 HydrophobicContact CD2-CE1 4.18Å; Y143-F147 WeakPolarHBondContact O-CB 3.22Å; Y143-F147 PolarHBondContact O-N 3.13Å; L144-F147 PolarHBondContact O-N 3.25Å; N145-F147 VanDerWaalsContact C-N 3.34Å; F147-Q150 PolarHBondContact O-N 2.98Å; F147-A151 PolarHBondContact O-N 2.91Å; F147-Y259 HydrophobicContact CE1-CD1 4.3Å; F147-Y259 AromaticContact CE2-CD1 3.72Å; F147-Y259 HydrophobicContact CE2-CD1 3.72Å; F147-Y259 AromaticContact CE2-CE1 3.93Å; F147-Y259 HydrophobicContact CE2-CE1 3.93Å; F147-Y259 AromaticContact CZ-CD1 3.51Å; F147-Y259 HydrophobicContact CZ-CD1 3.51Å; F147-Y259 HydrophobicContact CZ-CE1 4.05Å; F147-L260 HydrophobicContact CD2-CD1 3.98Å; F147-L260 HydrophobicContact CE2-CB 4.04Å; F147-L260 HydrophobicContact CE2-CD1 3.57Å; F147-L260 HydrophobicContact CE2-CG 4.44Å; F147-L260 HydrophobicContact CZ-CB 4.4Å
148R84.1Confident82.3Confident143 Ų14360.1 Ų60.154%0.5431%0.311SS..Hα-helixtrans-60.1-47.2174.2-74.4177.5-177.8161.10.1111.9L144 Q150 A151 D152L144-R148 WeakPolarHBondContact O-CB 3.31Å; L144-R148 WeakPolarHBondContact O-CG 3.43Å; L144-R148 PolarHBondContact O-N 2.79Å; R148-Q150 PolarHBondContact O-N 3.48Å; R148-A151 WeakPolarHBondContact O-CB 3.44Å; R148-A151 PolarHBondContact O-N 3.43Å; R148-A151 VanDerWaalsContact O-N 3.11Å; R148-D152 VanDerWaalsContact O-CG 3.3Å; R148-D152 PolarHBondContact O-N 3.01Å
149A84.6Confident81.2Confident43 Ų4361.2 Ų61.236%0.35530%0.302SS..Hα-helixtrans-61.1-32177.600000112.5N145 K153N145-A149 VanDerWaalsContact O-CB 3.24Å; N145-A149 WeakPolarHBondContact O-CB 3.3Å; N145-A149 PolarHBondContact O-N 2.95Å; A149-K153 VanDerWaalsContact O-CG 3.23Å; A149-K153 WeakPolarHBondContact O-CG 3.49Å; A149-K153 PolarHBondContact O-N 3.16Å
150Q82.8Confident80.2Confident55 Ų5562.5 Ų62.526%0.25732%0.32SS..Hα-helixtrans-74.5-40.7174.4-172.157.342.600111.9M101 S146 F147 R148 D152 K153 D154 Y259 L263M101-Q150 HydrophobicContact CG-CB 4.5Å; M101-Q150 HydrophobicContact SD-CG 4.36Å; S146-Q150 WeakPolarHBondContact O-CB 3.39Å; S146-Q150 PolarHBondContact O-N 2.85Å; F147-Q150 PolarHBondContact O-N 2.98Å; R148-Q150 PolarHBondContact O-N 3.48Å; Q150-D152 VanDerWaalsContact C-N 3.34Å; Q150-D152 PolarHBondContact O-N 3.42Å; Q150-K153 PolarHBondContact O-N 3.02Å; Q150-D154 PolarHBondContact NE2-OD1 3.46Å; Q150-D154 PolarHBondContact O-N 3.46Å; Q150-Y259 PolarHBondContact O-OH 3.49Å; Q150-L263 HydrophobicContact CG-CD1 3.43Å; Q150-L263 VanDerWaalsContact CG-CD1 3.43Å
151A79.6Confident79Confident22 Ų2267.6 Ų67.618%0.18235%0.347CS..Hα-helixtrans-59.4-43.8173.100000112.1F147 R148 K153 D154 A155 Y259F147-A151 PolarHBondContact O-N 2.91Å; R148-A151 WeakPolarHBondContact O-CB 3.44Å; R148-A151 PolarHBondContact O-N 3.43Å; R148-A151 VanDerWaalsContact O-N 3.11Å; A151-K153 PolarHBondContact O-N 3.4Å; A151-D154 PolarHBondContact O-N 3.04Å; A151-A155 WeakPolarHBondContact O-CB 3.3Å; A151-A155 PolarHBondContact O-N 3.44Å; A151-Y259 VanDerWaalsContact CA-OH 3.26Å; A151-Y259 WeakPolarHBondContact CA-OH 3.15Å; A151-Y259 HydrophobicContact CB-CD1 4.47Å; A151-Y259 HydrophobicContact CB-CE1 3.71Å; A151-Y259 PolarHBondContact N-OH 3.19Å
152D79.5Confident77.4Confident76 Ų7667.6 Ų67.641%0.40635%0.353SS..Hα-helixtrans-63.9-39.4177.1-67.8-23000112R148 Q150 R156R148-D152 VanDerWaalsContact O-CG 3.3Å; R148-D152 PolarHBondContact O-N 3.01Å; Q150-D152 VanDerWaalsContact C-N 3.34Å; Q150-D152 PolarHBondContact O-N 3.42Å; D152-R156 VanDerWaalsContact O-CG 3.31Å; D152-R156 WeakPolarHBondContact O-CG 3.49Å; D152-R156 PolarHBondContact O-N 3.43Å; D152-R156 VanDerWaalsContact O-N 3.08Å
153K83Confident75.7Confident122 Ų12270.5 Ų70.553%0.5337%0.372SS..Hα-helixtrans-64-45.7174.7-74.8170-171.71770111.3A149 Q150 A151 A155 R156 L157A149-K153 VanDerWaalsContact O-CG 3.23Å; A149-K153 WeakPolarHBondContact O-CG 3.49Å; A149-K153 PolarHBondContact O-N 3.16Å; Q150-K153 PolarHBondContact O-N 3.02Å; A151-K153 PolarHBondContact O-N 3.4Å; K153-A155 VanDerWaalsContact C-N 3.33Å; K153-A155 PolarHBondContact O-N 3.09Å; K153-R156 PolarHBondContact O-N 3.34Å; K153-L157 WeakPolarHBondContact O-CG 3.29Å; K153-L157 PolarHBondContact O-N 3.28Å
154D76.8Confident74Confident14 Ų1477 Ų778%0.07541%0.406CS..Hα-helixtrans-64.8-38.9179.5-74.21.5000111.3Q150 A151 L157 L158 Y259Q150-D154 PolarHBondContact NE2-OD1 3.46Å; Q150-D154 PolarHBondContact O-N 3.46Å; A151-D154 PolarHBondContact O-N 3.04Å; D154-L157 PolarHBondContact O-N 3.4Å; D154-L158 WeakPolarHBondContact O-CB 3.06Å; D154-L158 VanDerWaalsContact O-CG 3.27Å; D154-L158 WeakPolarHBondContact O-CG 3.41Å; D154-L158 PolarHBondContact O-N 2.73Å; D154-Y259 HydrophobicContact CB-CE2 4.44Å; D154-Y259 VanDerWaalsContact CG-OH 3.31Å; D154-Y259 PolarHBondContact OD2-OH 3.39Å
155A71.3Confident72.1Confident10 Ų1082.7 Ų82.78%0.08343%0.431CS..Hα-helixtrans-59.9-47.617400000111.4A151 K153 L157 L158 E159 L177A151-A155 WeakPolarHBondContact O-CB 3.3Å; A151-A155 PolarHBondContact O-N 3.44Å; K153-A155 VanDerWaalsContact C-N 3.33Å; K153-A155 PolarHBondContact O-N 3.09Å; A155-L157 PolarHBondContact O-N 3.23Å; A155-L158 PolarHBondContact O-N 3.35Å; A155-E159 WeakPolarHBondContact O-CG 3.48Å; A155-E159 PolarHBondContact O-N 3.16Å; A155-L177 HydrophobicContact CB-CD1 4.3Å
156R78.4Confident70.4Confident178 Ų17887.5 Ų87.567%0.67245%0.451SS*.Hα-helixtrans-64.2-38.3176.9-69.6174.3-172.5-172.63.1113.2D152 K153 L158 E159 A160D152-R156 VanDerWaalsContact O-CG 3.31Å; D152-R156 WeakPolarHBondContact O-CG 3.49Å; D152-R156 PolarHBondContact O-N 3.43Å; D152-R156 VanDerWaalsContact O-N 3.08Å; K153-R156 PolarHBondContact O-N 3.34Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-E159 PolarHBondContact O-N 3.09Å; R156-A160 WeakPolarHBondContact O-CB 3.31Å; R156-A160 PolarHBondContact O-N 3.29Å
157L77Confident68.8Low106 Ų10689.3 Ų89.356%0.55546%0.457SS*.Hα-helixtrans-66.7-34.7175.8-73.3178.3000111.7K153 D154 A155 N161K153-L157 WeakPolarHBondContact O-CG 3.29Å; K153-L157 PolarHBondContact O-N 3.28Å; D154-L157 PolarHBondContact O-N 3.4Å; A155-L157 PolarHBondContact O-N 3.23Å; L157-N161 PolarHBondContact O-N 3.38Å; L157-N161 PolarHBondContact O-ND2 3.05Å
158L65.8Low67.4Low38 Ų3893.9 Ų93.920%0.19949%0.488CS..Hα-helixtrans-71.3-40.3174.5-72.2168.6000111.4D154 A155 R156 N161 A162 T170 L173D154-L158 WeakPolarHBondContact O-CB 3.06Å; D154-L158 VanDerWaalsContact O-CG 3.27Å; D154-L158 WeakPolarHBondContact O-CG 3.41Å; D154-L158 PolarHBondContact O-N 2.73Å; A155-L158 PolarHBondContact O-N 3.35Å; R156-L158 VanDerWaalsContact C-N 3.3Å; L158-N161 CarbonylContact O-C 3.43Å; L158-N161 PolarHBondContact O-N 3.1Å; L158-A162 WeakPolarHBondContact O-CA 3.49Å; L158-A162 WeakPolarHBondContact O-CB 3.35Å; L158-A162 PolarHBondContact O-N 3.29Å; L158-T170 HydrophobicContact CB-CG2 4.27Å; L158-T170 HydrophobicContact CD1-CG2 4.47Å; L158-T170 HydrophobicContact CD2-CG2 4.42Å; L158-L173 HydrophobicContact CD1-CD1 3.64Å
159E64.5Low65.9Low104 Ų10490.8 Ų90.849%0.48648%0.482SS..Hα-helixtrans-61.2-42.7173.9-73.9174.2175.400112.1A155 R156 N161 A162A155-E159 WeakPolarHBondContact O-CG 3.48Å; A155-E159 PolarHBondContact O-N 3.16Å; R156-E159 PolarHBondContact O-N 3.09Å; E159-N161 PolarHBondContact O-N 3.3Å; E159-A162 VanDerWaalsContact O-CB 3.28Å; E159-A162 WeakPolarHBondContact O-CB 3.36Å; E159-A162 PolarHBondContact O-N 3.11Å
160A66.4Low64.3Low79 Ų7990.8 Ų90.865%0.65348%0.478SS*.Hα-helixtrans-67-22.6177.300000113.7R156R156-A160 WeakPolarHBondContact O-CB 3.31Å; R156-A160 PolarHBondContact O-N 3.29Å
161N60.5Low62.6Low109 Ų10994.7 Ų94.758%0.58350%0.496SS*.THydrogen-bonded Turntrans-105.45.2177.3-67.3-53.9000112.7L157 L158 E159 D163 L164L157-N161 PolarHBondContact O-N 3.38Å; L157-N161 PolarHBondContact O-ND2 3.05Å; L158-N161 CarbonylContact O-C 3.43Å; L158-N161 PolarHBondContact O-N 3.1Å; E159-N161 PolarHBondContact O-N 3.3Å; N161-D163 PolarHBondContact O-N 3.13Å; N161-D163 VanDerWaalsContact O-N 3.13Å; N161-L164 PolarHBondContact O-N 3.17Å; N161-L164 VanDerWaalsContact O-N 3.12Å
162A53Low61.2Low56 Ų5695 Ų9546%0.46350%0.497SS..THydrogen-bonded Turntrans-66.1-17.2-169.800000113.5L158 E159 L164L158-A162 WeakPolarHBondContact O-CA 3.49Å; L158-A162 WeakPolarHBondContact O-CB 3.35Å; L158-A162 PolarHBondContact O-N 3.29Å; E159-A162 VanDerWaalsContact O-CB 3.28Å; E159-A162 WeakPolarHBondContact O-CB 3.36Å; E159-A162 PolarHBondContact O-N 3.11Å; A162-L164 PolarHBondContact O-N 3.35Å
163D52.6Low59.9Low168 Ų16892.6 Ų92.690%0.89848%0.484SS*.THydrogen-bonded Turntrans-73-4.9175.3-67.3-26.8000113.6N161N161-D163 PolarHBondContact O-N 3.13Å; N161-D163 VanDerWaalsContact O-N 3.13Å
164L52.2Low58.2Low146 Ų14694.7 Ų94.776%0.76449%0.489SS*.THydrogen-bonded Turntrans-125.7-12.9-173.3-155.868000116.3N161 A162N161-L164 PolarHBondContact O-N 3.17Å; N161-L164 VanDerWaalsContact O-N 3.12Å; A162-L164 PolarHBondContact O-N 3.35Å
165F46.5Very low56.9Low137 Ų13799 Ų9960%0.60152%0.516SS*.  trans-146.8106.8-176.6-95.6-91.4000113.7N167F165-N167 PolarHBondContact O-N 3.14Å
166E50.4Low55.6Low189 Ų189102.7 Ų102.788%0.88353%0.529SS*.  trans-66.777.6161.5-70-138.2139.400110.5
167N52.9Low54Low72 Ų7298.2 Ų98.239%0.38552%0.518SS..  trans-95.8128.6173.3-86-48.4000110F165 L169 T170F165-N167 PolarHBondContact O-N 3.14Å; N167-L169 PolarHBondContact O-N 2.98Å; N167-T170 PolarHBondContact O-N 3.04Å; N167-T170 PolarHBondContact O-OG1 3.33Å
168P54.3Low52.2Low105 Ų10597.7 Ų97.768%0.68252%0.519SS*.Hα-helixtrans-62.2-1.8-178.625.4-35.3000115.1
169L51.3Low50.8Low78 Ų78101.7 Ų101.741%0.40855%0.547SS..Hα-helixtrans-82.1-23.4171.8-73.7172.1000113.3N167 S172 L173 E262N167-L169 PolarHBondContact O-N 2.98Å; L169-S172 PolarHBondContact O-OG 3.16Å; L169-S172 VanDerWaalsContact O-OG 3.13Å; L169-L173 WeakPolarHBondContact O-CG 3.48Å; L169-L173 PolarHBondContact O-N 3.17Å; L169-E262 HydrophobicContact CD1-CG 4.47Å
170T51.1Low49.5Very low43 Ų43102.5 Ų102.526%0.26456%0.563SS.*Hα-helixtrans-73.3-37179.858.70000111.3L158 N167 S172 L173 Y174L158-T170 HydrophobicContact CB-CG2 4.27Å; L158-T170 HydrophobicContact CD1-CG2 4.47Å; L158-T170 HydrophobicContact CD2-CG2 4.42Å; N167-T170 PolarHBondContact O-N 3.04Å; N167-T170 PolarHBondContact O-OG1 3.33Å; T170-S172 PolarHBondContact O-N 2.99Å; T170-L173 PolarHBondContact O-N 3.09Å; T170-Y174 PolarHBondContact O-N 3.38Å
171Q47.2Very low48.1Very low136 Ų136102.8 Ų102.864%0.63657%0.566SS**Hα-helixtrans-69.3-30.3177.7-67.7-176-2.500113
172S51.8Low46.9Very low29 Ų29103.3 Ų103.320%0.20357%0.572CS.*Hα-helixtrans-81.4-28.2176.959.40000113.3L169 T170L169-S172 PolarHBondContact O-OG 3.16Å; L169-S172 VanDerWaalsContact O-OG 3.13Å; T170-S172 PolarHBondContact O-N 2.99Å
173L50.9Low45.8Very low26 Ų26105.7 Ų105.714%0.13658%0.583CS.*Hα-helixtrans-71.7-30.7173.7-74177.9000113L158 L169 T170 T175 Y176 L177L158-L173 HydrophobicContact CD1-CD1 3.64Å; L169-L173 WeakPolarHBondContact O-CG 3.48Å; L169-L173 PolarHBondContact O-N 3.17Å; T170-L173 PolarHBondContact O-N 3.09Å; L173-T175 PolarHBondContact O-N 3.09Å; L173-Y176 WeakPolarHBondContact O-CB 3.2Å; L173-Y176 PolarHBondContact O-N 2.9Å; L173-L177 PolarHBondContact O-N 3.01Å
174Y48.1Very low45Very low165 Ų165103.3 Ų103.365%0.64758%0.578SS**Hα-helixtrans-60.7-33.4176.4-124.8-93.3000112.8T170 Y176 L177T170-Y174 PolarHBondContact O-N 3.38Å; Y174-Y176 VanDerWaalsContact C-N 3.3Å; Y174-Y176 PolarHBondContact O-N 2.92Å; Y174-L177 PolarHBondContact O-N 3.46Å
175T48.2Very low44.1Very low104 Ų104105.4 Ų105.464%0.63858%0.581SS**Hα-helixtrans-68.8-28.5175-52.30000112.4L173L173-T175 PolarHBondContact O-N 3.09Å
176Y44.2Very low43.5Very low88 Ų88110 Ų11035%0.34560%0.595SS.*Hα-helixtrans-79.1-22.2-179.6-112.6-107.5000114L173 Y174 T178 P252 L255 D256L173-Y176 WeakPolarHBondContact O-CB 3.2Å; L173-Y176 PolarHBondContact O-N 2.9Å; Y174-Y176 VanDerWaalsContact C-N 3.3Å; Y174-Y176 PolarHBondContact O-N 2.92Å; Y176-T178 VanDerWaalsContact C-N 3.3Å; Y176-P252 HydrophobicContact CE2-CB 4.23Å; Y176-P252 PolarHBondContact OH-O 3.24Å; Y176-L255 HydrophobicContact CD2-CB 4.36Å; Y176-L255 HydrophobicContact CD2-CD2 3.18Å; Y176-L255 HydrophobicContact CD2-CG 4.34Å; Y176-L255 HydrophobicContact CE2-CB 3.63Å; Y176-L255 HydrophobicContact CE2-CD2 3.36Å; Y176-L255 HydrophobicContact CE2-CG 4.08Å; Y176-L255 HydrophobicContact CG-CD2 3.97Å; Y176-D256 WeakPolarHBondContact CE1-OD1 3.46Å; Y176-D256 VanDerWaalsContact CZ-OD1 3.29Å; Y176-D256 PolarHBondContact OH-OD1 3.48Å; Y176-D256 PolarHBondContact OH-OD2 3.28Å
177L44.4Very low42.8Very low85 Ų85109.4 Ų109.445%0.44559%0.592SS.*THydrogen-bonded Turntrans-86.1-1.5-179.1-71.3158.6000113.1A155 L173 Y174 P179A155-L177 HydrophobicContact CB-CD1 4.3Å; L173-L177 PolarHBondContact O-N 3.01Å; Y174-L177 PolarHBondContact O-N 3.46Å; L177-P179 WeakPolarHBondContact O-CD 3.34Å
178T39.9Very low42.2Very low94 Ų94111.3 Ų111.358%0.57761%0.608SS**SBendtrans-87.3116172.9-50.90000109Y176 C180Y176-T178 VanDerWaalsContact C-N 3.3Å; T178-C180 VanDerWaalsContact C-N 3.34Å; T178-C180 PolarHBondContact O-N 2.96Å
179P37.5Very low41.2Very low122 Ų122118.4 Ų118.479%0.79262%0.622SS**  trans-73.886.2-17330.6-33.3000110.1L177 A181L177-P179 WeakPolarHBondContact O-CD 3.34Å; P179-A181 PolarHBondContact O-N 3.5Å
180C36.8Very low40.7Very low122 Ų122118.2 Ų118.282%0.82464%0.639SS**  trans-72.587.2160-83.60000108.1T178 V182T178-C180 VanDerWaalsContact C-N 3.34Å; T178-C180 PolarHBondContact O-N 2.96Å; C180-V182 PolarHBondContact O-N 3.06Å; C180-V182 VanDerWaalsContact O-N 3.12Å
181A36.3Very low39.9Very low85 Ų85128.7 Ų128.770%0.70267%0.673SS**  trans-2.194160.900000115.4P179 P183P179-A181 PolarHBondContact O-N 3.5Å; A181-P183 VanDerWaalsContact O-CD 3.3Å; A181-P183 WeakPolarHBondContact O-CD 3.29Å
182V35.2Very low39.5Very low119 Ų119125.3 Ų125.372%0.72167%0.674SS**  trans-67.4117144.1-174.90000104.9C180 C184C180-V182 PolarHBondContact O-N 3.06Å; C180-V182 VanDerWaalsContact O-N 3.12Å; V182-C184 VanDerWaalsContact C-N 3.28Å; V182-C184 PolarHBondContact O-N 2.93Å
183P31Very low38.9Very low107 Ų107130.7 Ų130.770%0.69571%0.706SS**  trans-68.897.4169.5-5.722.6000106A181 F185A181-P183 VanDerWaalsContact O-CD 3.3Å; A181-P183 WeakPolarHBondContact O-CD 3.29Å; P183-F185 VanDerWaalsContact C-N 3.27Å; P183-F185 PolarHBondContact O-N 3.49Å
184C34.6Very low38.3Very low118 Ų118134.4 Ų134.480%0.79773%0.734SS**  trans-56.6102.9155-78.40000105.6V182 R186V182-C184 VanDerWaalsContact C-N 3.28Å; V182-C184 PolarHBondContact O-N 2.93Å; C184-R186 VanDerWaalsContact C-N 3.29Å; C184-R186 PolarHBondContact O-N 3.2Å
185F33.5Very low37.7Very low189 Ų189136.1 Ų136.183%0.82975%0.745SS**  trans-65.198.7177.3-149.6-87.9000107.3P183 Q187P183-F185 VanDerWaalsContact C-N 3.27Å; P183-F185 PolarHBondContact O-N 3.49Å; F185-Q187 PolarHBondContact O-N 2.89Å
186R33.3Very low37.1Very low233 Ų233136.2 Ų136.288%0.87975%0.75SS**  trans-64.7115.6177.5-153.3178.9-162.6169.54.1106.8C184 P188C184-R186 VanDerWaalsContact C-N 3.29Å; C184-R186 PolarHBondContact O-N 3.2Å; R186-P188 WeakPolarHBondContact O-CD 3.15Å
187Q36.6Very low36.8Very low177 Ų177138.2 Ų138.283%0.82777%0.771SS**  trans-50125.1170.7-71.4179.6-19.700110.2F185 R189F185-Q187 PolarHBondContact O-N 2.89Å; Q187-R189 PolarHBondContact O-N 3.5Å
188P39.9Very low36.7Very low112 Ų112142.6 Ų142.673%0.72779%0.791SS**  trans-82.9109.5162.429.4-23.2000108.2R186 G190R186-P188 WeakPolarHBondContact O-CD 3.15Å; P188-G190 PolarHBondContact O-N 3.19Å; P188-G190 VanDerWaalsContact O-N 3.17Å
189R34.7Very low36.5Very low255 Ų255143.2 Ų143.296%0.96280%0.797SS**  trans-56.6111.6153.9-90.8178.7163.7148.2-4.4107.4Q187Q187-R189 PolarHBondContact O-N 3.5Å
190G38.9Very low36.4Very low74 Ų74146 Ų14676%0.76380%0.804SS**  trans-164.5106.1178.500000112.1P188P188-G190 PolarHBondContact O-N 3.19Å; P188-G190 VanDerWaalsContact O-N 3.17Å
191R35.6Very low36.2Very low263 Ų263146.9 Ų146.999%0.99280%0.801SS**  trans-78.9140.3-179.3-177.2-171.5-129.5-153.30.9110.7
192G37.8Very low36.3Very low64 Ų64148 Ų14866%0.6680%0.804SS**  trans132.994.6166.500000112.9
193V40.5Very low36.5Very low142 Ų142146.7 Ų146.786%0.86180%0.8SS**  82.2125.188.3169.60000114.1
194S36.7Very low37.1Very low105 Ų105149.9 Ų149.973%0.73481%0.805SS**  trans90.395.8156.1-73.60000121.7
195K35.7Very low37.1Very low200 Ų200151.4 Ų151.487%0.8781%0.805SS**  15.4130.5123.7-58.9177.6178.41780118.1
196S35.6Very low37.2Very low107 Ų107147.6 Ų147.675%0.74880%0.802SS**  157.5139.5107.263.60000114.3
197V39.2Very low37.3Very low129 Ų129141.4 Ų141.478%0.78279%0.794SS**  trans73.2101.5137.2175.60000117.8
198M40.8Very low37.4Very low177 Ų177140.4 Ų140.487%0.87279%0.793SS**  99.215285.3-78.5-67156.900114
199P36.6Very low37.3Very low108 Ų108140 Ų14070%0.70179%0.794SS**  trans-98164.9-159.339.2-34.3000113.6
200L36.1Very low37.2Very low179 Ų179132.3 Ų132.394%0.93778%0.784SS**  trans-133.3129.9172.3-131.181.2000112.5
201D30.8Very low37.2Very low142 Ų142134 Ų13476%0.75978%0.784SS**  trans-86.8158.7179.3-172.813.4000111.1
202S40Very low37.1Very low109 Ų109126.4 Ų126.476%0.76277%0.771SS**  trans-168.879.1165-71.90000111.5
203S38Very low37.1Very low91 Ų91129 Ų12964%0.63677%0.774SS**  25.9114.6126.660.50000118.8
204Q43.9Very low36.8Very low173 Ų173131.3 Ų131.381%0.80877%0.773SS**  trans-162.4124.5138.9-87.6-47.9-27.100110.9
205L36.1Very low36.5Very low150 Ų150130.3 Ų130.379%0.78577%0.771SS**  trans76.983.3153.1-74.8138.6000120.5
206S34.2Very low36.2Very low110 Ų110126.6 Ų126.677%0.76977%0.771SS**  trans-61.4139.3143.147.80000113.2
207S36.9Very low36.1Very low102 Ų102125.9 Ų125.971%0.71377%0.771SS**  168.8137.3124.966.90000113.9
208L37.5Very low35.8Very low156 Ų156130.3 Ų130.382%0.81778%0.78SS**  trans81.191.7157.3-54.8162.1000116.6
209S37.5Very low35.4Very low105 Ų105130.2 Ų130.273%0.73478%0.777SS**  79.5107.574.4870000116
210A32.8Very low35.4Very low93 Ų93133.8 Ų133.877%0.76979%0.785SS**  trans41.1138.3136.800000122.5
211S38.3Very low35.1Very low109 Ų109134.5 Ų134.576%0.76278%0.775SS**  trans121.595.9146.5-47.20000111.3
212S35Very low35.3Very low103 Ų103132.7 Ų132.772%0.7277%0.774SS**  101.413981.566.50000112.3
213V37.8Very low35.1Very low119 Ų119135.3 Ų135.372%0.72177%0.773SS**  trans79.6120.1150.5-82.80000123.3
214F33.5Very low35.2Very low191 Ų191135.9 Ų135.984%0.83877%0.773SS**  trans78.1110.6140.2-84.5-80.3000121
215A30.9Very low34.7Very low83 Ų83133.5 Ų133.569%0.68677%0.773SS**  51.5115.5127.900000118.5
216S28.9Very low34.6Very low123 Ų123130.9 Ų130.986%0.8677%0.767SS**  trans151.3109.5130.4-67.80000109.5
217A33.9Very low34.7Very low92 Ų92131.6 Ų131.676%0.7677%0.766SS**  trans-179.790.514700000109.8H219A217-H219 PolarHBondContact O-N 3.3Å
218F32Very low34.4Very low221 Ų221132.1 Ų132.197%0.96977%0.765SS**  trans-62.590.6152.3-113.7-94.6000107.3
219H32.7Very low34.1Very low176 Ų176130.2 Ų130.282%0.81576%0.763SS**  trans-153.185.8171.7-136.147.5000110.8A217A217-H219 PolarHBondContact O-N 3.3Å
220Q36.5Very low33.9Very low183 Ų183132.8 Ų132.886%0.85577%0.768SS**  trans-138.788.1166.1-146.7149.5-26.500107.8
221R30.5Very low33.6Very low193 Ų193139.8 Ų139.873%0.72878%0.775SS**  89.872.491.4-163.1176.2-140.8166.33.4110.2H223R221-H223 PolarHBondContact O-CD2 3.45Å; R221-H223 PolarHBondContact O-N 3.49Å
222S34.8Very low33.5Very low105 Ų105138.8 Ų138.873%0.73477%0.773SS**  trans-70116155.344.90000107.6T224S222-T224 PolarHBondContact O-N 3.09Å; S222-T224 VanDerWaalsContact O-N 3.14Å
223H36.2Very low33.5Very low163 Ų163139.6 Ų139.676%0.75578%0.776SS**  trans-69.9103.1177.7-77.1-106.9000109.6R221R221-H223 PolarHBondContact O-CD2 3.45Å; R221-H223 PolarHBondContact O-N 3.49Å
224T38.3Very low33.1Very low103 Ų103144.4 Ų144.463%0.63279%0.788SS**  trans-95.5135.1157.554.70000108.3S222 S226S222-T224 PolarHBondContact O-N 3.09Å; S222-T224 VanDerWaalsContact O-N 3.14Å; T224-S226 PolarHBondContact O-N 3.36Å
225P35.3Very low33.2Very low124 Ų124139.8 Ų139.881%0.80578%0.784SS**  trans-81.593.4164.131.6-26000107.1V227P225-V227 PolarHBondContact O-N 3.33Å; P225-V227 VanDerWaalsContact O-N 3.09Å
226S32.4Very low33.2Very low95 Ų95140.9 Ų140.966%0.66479%0.787SS**  trans-65.4105.2165-64.20000108.4T224 V228T224-S226 PolarHBondContact O-N 3.36Å; S226-V228 PolarHBondContact O-N 3.48Å
227V36.5Very low33.4Very low125 Ų125141.7 Ų141.776%0.75879%0.787SS**  trans-65.5101167.3176.90000107.5P225 C229P225-V227 PolarHBondContact O-N 3.33Å; P225-V227 VanDerWaalsContact O-N 3.09Å; V227-C229 PolarHBondContact O-N 3.16Å; V227-C229 VanDerWaalsContact O-N 3.16Å
228V31.6Very low33.2Very low113 Ų113141 Ų14169%0.68579%0.789SS**  trans-75.297.3168.1176.20000107.2S226 L230S226-V228 PolarHBondContact O-N 3.48Å; V228-L230 HydrophobicContact CG1-CD1 4.47Å; V228-L230 HydrophobicContact CG1-CG 4.37Å; V228-L230 PolarHBondContact O-N 3.15Å
229C30.9Very low33.1Very low115 Ų115134.1 Ų134.178%0.77778%0.781SS**  trans-68.295.1164.9-77.60000108.9V227 R231V227-C229 PolarHBondContact O-N 3.16Å; V227-C229 VanDerWaalsContact O-N 3.16Å; C229-R231 PolarHBondContact O-N 3.37Å; C229-R231 VanDerWaalsContact O-N 3.09Å
230L33.5Very low33Very low160 Ų160132.1 Ų132.184%0.83879%0.786SS**  trans-69.6102166.6-100.3145.2000109.2V228 A232V228-L230 HydrophobicContact CG1-CD1 4.47Å; V228-L230 HydrophobicContact CG1-CG 4.37Å; V228-L230 PolarHBondContact O-N 3.15Å; L230-A232 PolarHBondContact O-N 3.33Å
231R26.3Very low32.9Very low239 Ų239126.5 Ų126.590%0.90277%0.771SS**  trans-49.1119.9164.8179.3179176.8106.2-3.6110.3C229C229-R231 PolarHBondContact O-N 3.37Å; C229-R231 VanDerWaalsContact O-N 3.09Å
232A36Very low33Very low88 Ų88120.9 Ų120.973%0.72777%0.773SS**  trans-112.9140.5160.100000109.1L230L230-A232 PolarHBondContact O-N 3.33Å
233P35.1Very low33.2Very low121 Ų121124.7 Ų124.779%0.78678%0.78SS**  trans-80.4148.4-162.532.3-33.7000112.9A235P233-A235 PolarHBondContact O-N 3.13Å
234F29Very low33.4Very low220 Ų220120.2 Ų120.297%0.96577%0.766SS**  trans-54.5124.5165.7-111.5-110.9000111
235A35.1Very low33.3Very low93 Ų93122.2 Ų122.277%0.76977%0.768SS**  trans-150.7126.5151.600000109.1P233P233-A235 PolarHBondContact O-N 3.13Å
236S30.9Very low33.4Very low106 Ų106122.4 Ų122.474%0.74176%0.762SS**  trans-37.8149.3171.945.90000113.4
237T33.2Very low33.9Very low140 Ų140123.2 Ų123.286%0.85976%0.758SS**  -175.6156.177.3-42.90000108.6
238G29.4Very low34Very low79 Ų79124 Ų12481%0.81476%0.758SS**  trans-57.4159.4-16200000118.9
239G30.6Very low34.4Very low76 Ų76124 Ų12478%0.78475%0.753SS**  trans169.1110.4172.200000111.6A241G239-A241 PolarHBondContact O-N 3.28Å
240S30.2Very low34.9Very low134 Ų134121.9 Ų121.994%0.93773%0.734SS**  trans-59.1112.6175.9-176.90000111.8
241A34.3Very low35.8Very low65 Ų65116.4 Ų116.454%0.53771%0.71SS.*  trans-162.265.7166.900000110.9G239 Q243G239-A241 PolarHBondContact O-N 3.28Å; A241-Q243 PolarHBondContact O-N 2.94Å
242G32.2Very low37.3Very low75 Ų75109.2 Ų109.277%0.77369%0.694SS**  trans-76.5108.7173.500000111
243Q40.2Very low38.2Very low185 Ų185106 Ų10686%0.86467%0.665SS**SBendtrans148.5-16.1149.9-83.8172.419.800113.7A241A241-Q243 PolarHBondContact O-N 2.94Å
244S39.4Very low39.4Very low68 Ų68101.2 Ų101.248%0.47663%0.633SS.*SBendtrans-86.2-17.2-175.448.30000115.4L246S244-L246 PolarHBondContact O-N 2.99Å
245H36.5Very low41.2Very low145 Ų14592.3 Ų92.367%0.67160%0.595SS**THydrogen-bonded Turntrans-74.8-23.1-175.1-87.5-80.4000115.2
246L38.4Very low42.8Very low128 Ų12889.7 Ų89.767%0.6757%0.568SS**THydrogen-bonded Turntrans-81.6-27.9-179.3-73.1-178.3000113.3S244 L249S244-L246 PolarHBondContact O-N 2.99Å; L246-L249 HydrophobicContact CD2-CD1 4.43Å; L246-L249 PolarHBondContact O-N 3.12Å
247L41.7Very low44.7Very low112 Ų11285 Ų8559%0.58653%0.534SS*.G310 helixtrans-73.8-30.7178.6-67.9179.3000112.2L249 L250L247-L249 VanDerWaalsContact C-N 3.27Å; L247-L249 PolarHBondContact O-N 2.9Å; L247-L250 HydrophobicContact CD2-CD1 4.48Å; L247-L250 PolarHBondContact O-N 3.29Å
248N39.3Very low46.5Very low141 Ų14180.3 Ų80.375%0.75450%0.504SS*.G310 helixtrans-73.2-14.2175.9-75.2-17.4000114.2
249L39.5Very low48.7Very low113 Ų11378.1 Ų78.159%0.59247%0.471SS*.G310 helixtrans-83-16.9175-85.2167.4000112.9L246 L247 S251L246-L249 HydrophobicContact CD2-CD1 4.43Å; L246-L249 PolarHBondContact O-N 3.12Å; L247-L249 VanDerWaalsContact C-N 3.27Å; L247-L249 PolarHBondContact O-N 2.9Å; L249-S251 PolarHBondContact O-N 3.39Å
250L42.7Very low50.8Low71 Ų7174.5 Ų74.537%0.37243%0.434SS..SBendtrans-83.792.1170.1-72.1134.8000107.1A8 L247 N254A8-L250 HydrophobicContact CB-CD2 3.83Å; L247-L250 HydrophobicContact CD2-CD1 4.48Å; L247-L250 PolarHBondContact O-N 3.29Å; L250-N254 HydrophobicContact CD2-CB 4.13Å
251S51.5Low52.9Low46 Ų4669.1 Ų69.132%0.32239%0.394SS..  trans-54.4152.817384.90000109.6L249 V253 N254L249-S251 PolarHBondContact O-N 3.39Å; S251-V253 PolarHBondContact O-N 2.98Å; S251-V253 VanDerWaalsContact OG-CB 3.29Å; S251-V253 WeakPolarHBondContact OG-CB 3.26Å; S251-V253 VanDerWaalsContact OG-CG2 3.26Å; S251-V253 WeakPolarHBondContact OG-CG2 3.47Å; S251-V253 PolarHBondContact OG-N 2.86Å; S251-N254 WeakPolarHBondContact O-CB 3.48Å; S251-N254 PolarHBondContact O-N 3.3Å
252P57.5Low54.9Low88 Ų8868 Ų6857%0.57138%0.378SS*.Hα-helixtrans-49.5-35.3178.818.3-31.5000111.7Y176 N254 L255 D256Y176-P252 HydrophobicContact CE2-CB 4.23Å; Y176-P252 PolarHBondContact OH-O 3.24Å; P252-N254 PolarHBondContact O-N 2.88Å; P252-L255 PolarHBondContact O-N 2.98Å; P252-D256 PolarHBondContact O-N 3.17Å
253V54.6Low57Low19 Ų1964.8 Ų64.812%0.11534%0.343CS..Hα-helixtrans-48.7-38.9174.7-168.20000113.5S129 S251 I257S129-V253 WeakPolarHBondContact OG-CG1 3.26Å; S129-V253 WeakPolarHBondContact OG-CG2 3.49Å; S251-V253 PolarHBondContact O-N 2.98Å; S251-V253 VanDerWaalsContact OG-CB 3.29Å; S251-V253 WeakPolarHBondContact OG-CB 3.26Å; S251-V253 VanDerWaalsContact OG-CG2 3.26Å; S251-V253 WeakPolarHBondContact OG-CG2 3.47Å; S251-V253 PolarHBondContact OG-N 2.86Å; V253-I257 HydrophobicContact CG1-CD1 4.25Å; V253-I257 WeakPolarHBondContact O-CG1 3.39Å
254N61.7Low58.6Low21 Ų2156.6 Ų56.611%0.11231%0.305CS..Hα-helixtrans-74.6-30.1-175.7-62.3-13.5000111.6H11 L250 S251 P252 L258H11-N254 PolarHBondContact CE1-OD1 3.19Å; H11-N254 PolarHBondContact NE2-OD1 2.97Å; H11-N254 VanDerWaalsContact NE2-OD1 3.13Å; L250-N254 HydrophobicContact CD2-CB 4.13Å; S251-N254 WeakPolarHBondContact O-CB 3.48Å; S251-N254 PolarHBondContact O-N 3.3Å; P252-N254 PolarHBondContact O-N 2.88Å; N254-L258 WeakPolarHBondContact O-CB 3.12Å; N254-L258 WeakPolarHBondContact O-CD1 3.33Å; N254-L258 WeakPolarHBondContact O-CG 3.35Å; N254-L258 PolarHBondContact O-N 3.29Å; N254-L258 VanDerWaalsContact O-N 3.16Å
255L66.9Low60.2Low34 Ų3455.9 Ų55.918%0.17829%0.293CS..Hα-helixtrans-75.6-41-178.8-15975.9000111.7Y176 P252 I257 L258 Y259Y176-L255 HydrophobicContact CD2-CB 4.36Å; Y176-L255 HydrophobicContact CD2-CD2 3.18Å; Y176-L255 HydrophobicContact CD2-CG 4.34Å; Y176-L255 HydrophobicContact CE2-CB 3.63Å; Y176-L255 HydrophobicContact CE2-CD2 3.36Å; Y176-L255 HydrophobicContact CE2-CG 4.08Å; Y176-L255 HydrophobicContact CG-CD2 3.97Å; P252-L255 PolarHBondContact O-N 2.98Å; L255-I257 VanDerWaalsContact C-N 3.33Å; L255-I257 PolarHBondContact O-N 2.87Å; L255-L258 PolarHBondContact O-N 3.46Å; L255-Y259 VanDerWaalsContact O-CB 3.24Å; L255-Y259 WeakPolarHBondContact O-CB 3.48Å; L255-Y259 PolarHBondContact O-N 2.81Å
256D68.3Low61.8Low37 Ų3753.6 Ų53.620%0.19828%0.278CS..Hα-helixtrans-60.2-43.4179-72.8-29.7000111.9L125 Y176 P252 Y259 L260L125-D256 HydrophobicContact CD1-CB 4.4Å; Y176-D256 WeakPolarHBondContact CE1-OD1 3.46Å; Y176-D256 VanDerWaalsContact CZ-OD1 3.29Å; Y176-D256 PolarHBondContact OH-OD1 3.48Å; Y176-D256 PolarHBondContact OH-OD2 3.28Å; P252-D256 PolarHBondContact O-N 3.17Å; D256-Y259 PolarHBondContact O-N 3.26Å; D256-L260 WeakPolarHBondContact O-CB 3.36Å; D256-L260 PolarHBondContact O-N 3.44Å
257I71Confident63.3Low7 Ų751.7 Ų51.74%0.03626%0.262CS..Hα-helixtrans-70.3-40.9179.7-61.5169.7000110.8H11 H126 V253 L255 L260 H261H11-I257 HydrophobicContact CB-CD1 4.49Å; H11-I257 HydrophobicContact CB-CG2 4.06Å; H126-I257 HydrophobicContact CB-CD1 4.42Å; V253-I257 HydrophobicContact CG1-CD1 4.25Å; V253-I257 WeakPolarHBondContact O-CG1 3.39Å; L255-I257 VanDerWaalsContact C-N 3.33Å; L255-I257 PolarHBondContact O-N 2.87Å; I257-L260 PolarHBondContact O-N 2.73Å; I257-H261 WeakPolarHBondContact O-CB 3.46Å; I257-H261 PolarHBondContact O-N 3.35Å
258L70.4Confident64.5Low43 Ų4350.7 Ų50.723%0.22526%0.255CS..Hα-helixtrans-64.4-41.5175.6-74.3173000111.6L7 N254 L255 H261 E262L7-L258 HydrophobicContact CD1-CD2 4.49Å; L7-L258 HydrophobicContact CD2-CD2 4.13Å; L7-L258 HydrophobicContact CG-CD2 3.97Å; N254-L258 WeakPolarHBondContact O-CB 3.12Å; N254-L258 WeakPolarHBondContact O-CD1 3.33Å; N254-L258 WeakPolarHBondContact O-CG 3.35Å; N254-L258 PolarHBondContact O-N 3.29Å; N254-L258 VanDerWaalsContact O-N 3.16Å; L255-L258 PolarHBondContact O-N 3.46Å; L258-H261 PolarHBondContact O-N 3.45Å; L258-E262 WeakPolarHBondContact O-CB 3.44Å; L258-E262 PolarHBondContact O-N 3.04Å
259Y75Confident65.4Low32 Ų3249.2 Ų49.213%0.12524%0.243CC..Hα-helixtrans-65.4-46176.9176.1-107.8000111.2F147 Q150 A151 D154 L255 D256 H261 E262 L263F147-Y259 HydrophobicContact CE1-CD1 4.3Å; F147-Y259 AromaticContact CE2-CD1 3.72Å; F147-Y259 HydrophobicContact CE2-CD1 3.72Å; F147-Y259 AromaticContact CE2-CE1 3.93Å; F147-Y259 HydrophobicContact CE2-CE1 3.93Å; F147-Y259 AromaticContact CZ-CD1 3.51Å; F147-Y259 HydrophobicContact CZ-CD1 3.51Å; F147-Y259 HydrophobicContact CZ-CE1 4.05Å; Q150-Y259 PolarHBondContact O-OH 3.49Å; A151-Y259 VanDerWaalsContact CA-OH 3.26Å; A151-Y259 WeakPolarHBondContact CA-OH 3.15Å; A151-Y259 HydrophobicContact CB-CD1 4.47Å; A151-Y259 HydrophobicContact CB-CE1 3.71Å; A151-Y259 PolarHBondContact N-OH 3.19Å; D154-Y259 HydrophobicContact CB-CE2 4.44Å; D154-Y259 VanDerWaalsContact CG-OH 3.31Å; D154-Y259 PolarHBondContact OD2-OH 3.39Å; L255-Y259 VanDerWaalsContact O-CB 3.24Å; L255-Y259 WeakPolarHBondContact O-CB 3.48Å; L255-Y259 PolarHBondContact O-N 2.81Å; D256-Y259 PolarHBondContact O-N 3.26Å; Y259-H261 VanDerWaalsContact C-N 3.29Å; Y259-H261 PolarHBondContact O-N 3.42Å; Y259-E262 PolarHBondContact O-N 3.24Å; Y259-E262 VanDerWaalsContact O-N 3.16Å; Y259-L263 HydrophobicContact CE1-CD1 4.22Å; Y259-L263 WeakPolarHBondContact O-CB 3.02Å; Y259-L263 PolarHBondContact O-N 3.17Å; Y259-L263 VanDerWaalsContact OH-CD1 3.32Å; Y259-L263 WeakPolarHBondContact OH-CD1 3.19Å
260L76.5Confident66.2Low1 Ų149.3 Ų49.31%0.00525%0.248CC..Hα-helixtrans-54.9-46.3174.4-174.885.3000111.3Y99 M101 E121 M122 L125 Y143 F147 D256 I257 L263 H264Y99-L260 HydrophobicContact CD1-CD1 4.4Å; Y99-L260 HydrophobicContact CD1-CD2 3.9Å; Y99-L260 HydrophobicContact CD1-CG 4.01Å; Y99-L260 HydrophobicContact CE1-CD2 4.23Å; Y99-L260 HydrophobicContact CE1-CG 4.45Å; M101-L260 HydrophobicContact CE-CD1 4.4Å; E121-L260 HydrophobicContact CB-CD2 4.17Å; M122-L260 HydrophobicContact CE-CD2 4.31Å; M122-L260 HydrophobicContact CG-CD2 3.66Å; L125-L260 HydrophobicContact CD1-CB 4.18Å; L125-L260 HydrophobicContact CD1-CD1 4.2Å; L125-L260 HydrophobicContact CD1-CD2 4.13Å; L125-L260 HydrophobicContact CD1-CG 4.39Å; Y143-L260 WeakPolarHBondContact OH-CD1 3.43Å; F147-L260 HydrophobicContact CD2-CD1 3.98Å; F147-L260 HydrophobicContact CE2-CB 4.04Å; F147-L260 HydrophobicContact CE2-CD1 3.57Å; F147-L260 HydrophobicContact CE2-CG 4.44Å; F147-L260 HydrophobicContact CZ-CB 4.4Å; D256-L260 WeakPolarHBondContact O-CB 3.36Å; D256-L260 PolarHBondContact O-N 3.44Å; I257-L260 PolarHBondContact O-N 2.73Å; L260-L263 PolarHBondContact O-N 3.5Å; L260-H264 WeakPolarHBondContact O-CB 3.41Å; L260-H264 PolarHBondContact O-N 2.95Å
261H73.3Confident66.3Low21 Ų2148.4 Ų48.410%0.09726%0.256CS..Hα-helixtrans-66.9-39.3179.2-175.4-87.4000112.3R18 I257 L258 Y259 K265R18-H261 PolarHBondContact NH2-ND1 3.39Å; R18-H261 VanDerWaalsContact NH2-ND1 3.13Å; I257-H261 WeakPolarHBondContact O-CB 3.46Å; I257-H261 PolarHBondContact O-N 3.35Å; L258-H261 PolarHBondContact O-N 3.45Å; Y259-H261 VanDerWaalsContact C-N 3.29Å; Y259-H261 PolarHBondContact O-N 3.42Å; H261-K265 PolarHBondContact O-N 3.36Å
262E77.2Confident66Low41 Ų4151.3 Ų51.319%0.19227%0.272CS..Hα-helixtrans-66.8-42.2177.2-167.958-14900111.7R18 L169 L258 Y259 K265 R266R18-E262 IonicContact NH1-OE2 2.65Å; R18-E262 PolarHBondContact NH1-OE2 3.44Å; L169-E262 HydrophobicContact CD1-CG 4.47Å; L258-E262 WeakPolarHBondContact O-CB 3.44Å; L258-E262 PolarHBondContact O-N 3.04Å; Y259-E262 PolarHBondContact O-N 3.24Å; Y259-E262 VanDerWaalsContact O-N 3.16Å; E262-K265 WeakPolarHBondContact O-CB 3.35Å; E262-K265 PolarHBondContact O-N 3.08Å; E262-R266 WeakPolarHBondContact O-CG 3.39Å; E262-R266 PolarHBondContact O-N 3.16Å
263L74.8Confident64.7Low8 Ų857.1 Ų57.14%0.04228%0.284CS..Hα-helixtrans-63.6-43.8176.2-177.4139.8000111.6M101 Q150 Y259 L260 K265 R266 R267M101-L263 HydrophobicContact CE-CD1 4.24Å; M101-L263 HydrophobicContact CE-CD2 3.34Å; M101-L263 HydrophobicContact CE-CG 4.39Å; M101-L263 HydrophobicContact SD-CD1 4.36Å; M101-L263 HydrophobicContact SD-CD2 3.56Å; M101-L263 VanDerWaalsContact SD-CD2 3.56Å; Q150-L263 HydrophobicContact CG-CD1 3.43Å; Q150-L263 VanDerWaalsContact CG-CD1 3.43Å; Y259-L263 HydrophobicContact CE1-CD1 4.22Å; Y259-L263 WeakPolarHBondContact O-CB 3.02Å; Y259-L263 PolarHBondContact O-N 3.17Å; Y259-L263 VanDerWaalsContact OH-CD1 3.32Å; Y259-L263 WeakPolarHBondContact OH-CD1 3.19Å; L260-L263 PolarHBondContact O-N 3.5Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.32Å; L263-R266 PolarHBondContact O-N 3.45Å; L263-R267 HydrophobicContact CD2-CG 4.42Å; L263-R267 PolarHBondContact O-N 3.18Å
264H74.8Confident63.8Low13 Ų1359.3 Ų59.36%0.0631%0.311CS..Hα-helixtrans-58.6-42.9175.2179.171.6000111.6T98 Y99 L260 R266 R267 Q268T98-H264 PolarHBondContact O-ND1 3.18Å; T98-H264 VanDerWaalsContact O-ND1 3.15Å; T98-H264 PolarHBondContact OG1-CE1 3.12Å; T98-H264 VanDerWaalsContact OG1-CE1 3.22Å; Y99-H264 HydrophobicContact CD1-CB 4.12Å; Y99-H264 AromaticContact CD2-CE1 3.88Å; Y99-H264 AromaticContact CD2-ND1 3.74Å; Y99-H264 HydrophobicContact CE1-CB 3.73Å; Y99-H264 AromaticContact CE1-CG 3.62Å; Y99-H264 AromaticContact CE1-ND1 3.9Å; Y99-H264 AromaticContact CE2-CE1 3.38Å; Y99-H264 WeakPolarHBondContact CE2-CE1 3.32Å; Y99-H264 AromaticContact CE2-CG 3.94Å; Y99-H264 AromaticContact CE2-ND1 3.52Å; Y99-H264 AromaticContact CE2-NE2 3.74Å; Y99-H264 AromaticContact CZ-CD2 3.58Å; Y99-H264 AromaticContact CZ-CE1 3.72Å; Y99-H264 AromaticContact CZ-CG 3.51Å; Y99-H264 AromaticContact CZ-ND1 3.62Å; Y99-H264 AromaticContact CZ-NE2 3.72Å; Y99-H264 PolarHBondContact OH-CD2 2.98Å; L260-H264 WeakPolarHBondContact O-CB 3.41Å; L260-H264 PolarHBondContact O-N 2.95Å; H264-R266 PolarHBondContact O-N 3.04Å; H264-R267 PolarHBondContact O-N 3.09Å; H264-Q268 PolarHBondContact NE2-NE2 3.41Å; H264-Q268 PolarHBondContact O-N 2.95Å
265K72.9Confident62.3Low52 Ų5262.9 Ų62.923%0.22634%0.338CS..Hα-helixtrans-60.5-43.8176-174.6-171.9173.5-163.90112.1H261 E262 L263 R267 Q268 Q269H261-K265 PolarHBondContact O-N 3.36Å; E262-K265 WeakPolarHBondContact O-CB 3.35Å; E262-K265 PolarHBondContact O-N 3.08Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.32Å; K265-R267 VanDerWaalsContact C-N 3.31Å; K265-R267 PolarHBondContact O-N 2.87Å; K265-Q268 PolarHBondContact O-N 3.48Å; K265-Q269 WeakPolarHBondContact O-CG 3.4Å; K265-Q269 PolarHBondContact O-N 2.94Å; K265-Q269 VanDerWaalsContact O-N 3.1Å
266R70.5Confident60.6Low97 Ų9768.2 Ų68.237%0.36637%0.365SS..Hα-helixtrans-59.6-42.1175.6-70.2179.1-179.2-168.9-2.3111.3E262 L263 H264 Q269 V270E262-R266 WeakPolarHBondContact O-CG 3.39Å; E262-R266 PolarHBondContact O-N 3.16Å; L263-R266 PolarHBondContact O-N 3.45Å; H264-R266 PolarHBondContact O-N 3.04Å; R266-Q269 PolarHBondContact O-N 3.32Å; R266-V270 WeakPolarHBondContact O-CG2 3.4Å; R266-V270 PolarHBondContact O-N 2.89Å
267R70Confident58.9Low89 Ų8972.2 Ų72.234%0.33639%0.393SS..Hα-helixtrans-67.1-37.2178-68-167.473.3178.6-1.1113.3Q100 N103 L263 H264 K265 Q269 V270 G271Q100-R267 PolarHBondContact O-NH1 2.94Å; N103-R267 PolarHBondContact OD1-NH2 2.86Å; L263-R267 HydrophobicContact CD2-CG 4.42Å; L263-R267 PolarHBondContact O-N 3.18Å; H264-R267 PolarHBondContact O-N 3.09Å; K265-R267 VanDerWaalsContact C-N 3.31Å; K265-R267 PolarHBondContact O-N 2.87Å; R267-Q269 VanDerWaalsContact C-N 3.33Å; R267-V270 PolarHBondContact O-N 3.04Å; R267-G271 PolarHBondContact O-N 2.65Å
268Q65.2Low57.1Low91 Ų9176.9 Ų76.943%0.42543%0.426SS..Hα-helixtrans-63.7-39.3173.7-71.7-169.3-12.300112H264 K265 G271 T272H264-Q268 PolarHBondContact NE2-NE2 3.41Å; H264-Q268 PolarHBondContact O-N 2.95Å; K265-Q268 PolarHBondContact O-N 3.48Å; Q268-G271 PolarHBondContact O-N 3.26Å; Q268-T272 PolarHBondContact O-N 3.3Å; Q268-T272 PolarHBondContact O-OG1 3.02Å
269Q58.8Low55.2Low109 Ų10980.4 Ų80.451%0.50945%0.454SS..Hα-helixtrans-65-41176-71.1-179.4-14.800111.8K265 R266 R267 T272K265-Q269 WeakPolarHBondContact O-CG 3.4Å; K265-Q269 PolarHBondContact O-N 2.94Å; K265-Q269 VanDerWaalsContact O-N 3.1Å; R266-Q269 PolarHBondContact O-N 3.32Å; R267-Q269 VanDerWaalsContact C-N 3.33Å; Q269-T272 PolarHBondContact O-N 2.8Å
270V55.5Low53.4Low115 Ų11584 Ų8470%0.69748%0.484SS*.Hα-helixtrans-66.7-37.1176.5175.90000112R266 R267 T272R266-V270 WeakPolarHBondContact O-CG2 3.4Å; R266-V270 PolarHBondContact O-N 2.89Å; R267-V270 PolarHBondContact O-N 3.04Å; V270-T272 VanDerWaalsContact C-N 3.32Å; V270-T272 PolarHBondContact O-N 3.05Å
271G46.4Very low51.4Low53 Ų5387.7 Ų87.755%0.54651%0.514SS..Hα-helixtrans-69.3-25.4178.100000114.7R267 Q268R267-G271 PolarHBondContact O-N 2.65Å; Q268-G271 PolarHBondContact O-N 3.26Å
272T43.7Very low49.9Very low106 Ų10694 Ų9465%0.6555%0.549SS*.Hα-helixtrans-86.8-15.6-173.4-46.80000113Q268 Q269 V270Q268-T272 PolarHBondContact O-N 3.3Å; Q268-T272 PolarHBondContact O-OG1 3.02Å; Q269-T272 PolarHBondContact O-N 2.8Å; V270-T272 VanDerWaalsContact C-N 3.32Å; V270-T272 PolarHBondContact O-N 3.05Å
273Y32.2Very low48.2Very low210 Ų210100.2 Ų100.282%0.82458%0.578SS**SBendtrans-106.45.2177.5-75.9-83.6000114.3
274G33.9Very low46.6Very low66 Ų66106.8 Ų106.868%0.6861%0.613SS**SBendtrans-104.73.5-176.100000116.4
275S31.4Very low44.8Very low96 Ų96111.8 Ų111.867%0.67165%0.646SS**  trans-114.169.6176.649.80000111P277S275-P277 WeakPolarHBondContact O-CD 3.49Å
276I30.3Very low43.1Very low146 Ų146118.1 Ų118.175%0.74967%0.674SS**  trans-73.8121.9159.7-60.6176.2000105.9S278I276-S278 PolarHBondContact O-N 2.65Å
277P32.2Very low41.6Very low121 Ų121118.9 Ų118.979%0.78669%0.685SS**  trans-65.4104.3168.526.8-28.6000106.5S275 S279S275-P277 WeakPolarHBondContact O-CD 3.49Å; P277-S279 PolarHBondContact O-N 2.79Å
278S33.7Very low40.4Very low104 Ų104124.1 Ų124.173%0.72771%0.705SS**  trans-62.5101172.351.30000108.1I276 S280I276-S278 PolarHBondContact O-N 2.65Å; S278-S280 PolarHBondContact O-N 3.44Å; S278-S280 VanDerWaalsContact O-N 3.09Å
279S30Very low39.4Very low117 Ų117130.2 Ų130.282%0.81872%0.724SS**  trans-39.9109.4158.2132.90000109.9P277P277-S279 PolarHBondContact O-N 2.79Å
280S38.4Very low38.9Very low107 Ų107131.5 Ų131.575%0.74874%0.74SS**  trans-115.8103150.934.80000103.1S278S278-S280 PolarHBondContact O-N 3.44Å; S278-S280 VanDerWaalsContact O-N 3.09Å
281A35.2Very low38.5Very low79 Ų79131.6 Ų131.665%0.65375%0.745SS**  44.282.171.600000110.1
282D39.9Very low38.9Very low155 Ų155133.4 Ų133.483%0.82976%0.755SS**  trans-172.9121.6141.8-86.1-28.3000109.9
283E42.5Very low39.2Very low170 Ų170141 Ų14179%0.79479%0.787SS**  trans57.1132.7148.2-58.3-150.812100120.5
284L41.9Very low39.5Very low147 Ų147137.6 Ų137.677%0.7779%0.785SS**  cis-170149.83.3-94.7166.6000105.9
285P35.2Very low39.8Very low117 Ų117141.3 Ų141.376%0.7679%0.79SS**  trans-111.2121.7175.835.1-22.4000112.8
286F37.9Very low40.3Very low185 Ų185143.8 Ų143.881%0.81180%0.797SS**  trans-165.998.2159.8-148.7-105.3000109.8
287D40.1Very low40.9Very low113 Ų113143.7 Ų143.760%0.60480%0.8SS**  85.8141.493.3-163.326.9000115
288R44.8Very low41.4Very low199 Ų199145.1 Ų145.175%0.75180%0.801SS**  trans81.4103.2172.2-60.6-173.9-166.6-178.54.6117.8
289R43.8Very low41.9Very low219 Ų219147.9 Ų147.983%0.82681%0.805SS**  80.1136.676.7-91.4-170-169.9178.44.6113.2
290T47.2Very low42.8Very low137 Ų137150.1 Ų150.184%0.8481%0.805SS**  trans72139.4158.253.70000115.9
291S48.4Very low43.1Very low116 Ų116153.4 Ų153.481%0.81181%0.809SS**  cis-165.8166.2-0.8-170.20000106.8
292A53.9Low43.8Very low92 Ų92159.6 Ų159.676%0.7682%0.822SS**  trans-47.3147.9-178.200000117.5
293M49.9Very low44.1Very low265 Ų265160 Ų160100%1.30582%0.821SS**  -138.40128-111.2-175.5157.300108.6

Retrieved 293 of 293 residues in 573.4 ms (Link to these results)

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