A0A087XHX7_POEFO Loading...

Pleckstrin homology domain-containing family A member 8

AlphaFold DB , UniProt , Accession A0A087XHX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 563 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
1M90.4Very high91Very high81 Ų8171.4 Ų71.440%0.39933%0.327SS..  0142.30174.5177177.900107.8L22 K83 W84 A87M1-L22 HydrophobicContact CB-CB 4.43Å; M1-L22 PolarHBondContact N-O 3.25Å; M1-L22 PolarHBondContact O-N 3.47Å; M1-K83 HydrophobicContact CE-CB 3.88Å; M1-W84 HydrophobicContact CE-CB 4.48Å; M1-W84 HydrophobicContact CE-CD2 3.56Å; M1-W84 HydrophobicContact CE-CE3 4.14Å; M1-W84 HydrophobicContact CE-CG 3.7Å; M1-W84 HydrophobicContact CE-CZ2 4.17Å; M1-W84 HydrophobicContact CG-CH2 4.3Å; M1-W84 HydrophobicContact CG-CZ3 4.28Å; M1-W84 HydrophobicContact SD-CD2 3.97Å; M1-W84 HydrophobicContact SD-CE3 3.92Å; M1-W84 HydrophobicContact SD-CG 4.41Å; M1-W84 HydrophobicContact SD-CZ3 4.28Å; M1-A87 HydrophobicContact CB-CB 4.18Å; M1-A87 HydrophobicContact CG-CB 4.41Å; M1-A87 HydrophobicContact SD-CB 3.36Å; M1-A87 WeakPolarHBondContact SD-CB 3.08Å
2E93.7Very high90Very high104 Ų10479.1 Ų79.149%0.48637%0.37SS..EExtended strand (participates in β ladder)trans-139.3162.7173.356.3171.6-165.600111.6W19 F20 V21E2-W19 HydrophobicContact CB-CZ2 3.84Å; E2-W19 HydrophobicContact CG-CZ2 3.74Å; E2-W19 PolarHBondContact OE2-NE1 2.89Å; E2-F20 CarbonylContact C-O 3.33Å; E2-F20 WeakPolarHBondContact CA-O 3.47Å; E2-F20 WeakPolarHBondContact CB-O 3.44Å; E2-V21 HydrophobicContact CB-CB 4.47Å; E2-V21 HydrophobicContact CB-CG1 4.49Å; E2-V21 HydrophobicContact CB-CG2 4.01Å
3G93.6Very high89.3Confident12 Ų1277.5 Ų77.512%0.12437%0.373CS..EExtended strand (participates in β ladder)trans161.1172.1-178.300000113.2F20G3-F20 PolarHBondContact N-O 3.28Å; G3-F20 PolarHBondContact O-N 3.02Å
4M93.8Very high89.5Confident55 Ų5573 Ų7327%0.27136%0.356SS..EExtended strand (participates in β ladder)trans-88.1129.9179.1-162.7-67.7-57.100111.4Y6 P17 R18 W19 I76M4-Y6 HydrophobicContact CE-CD2 4.04Å; M4-Y6 HydrophobicContact CE-CE1 4.44Å; M4-Y6 HydrophobicContact CE-CE2 3.66Å; M4-P17 HydrophobicContact CG-CB 4.3Å; M4-P17 HydrophobicContact SD-CB 3.54Å; M4-P17 VanDerWaalsContact SD-CB 3.54Å; M4-R18 WeakPolarHBondContact CA-O 3.41Å; M4-W19 HydrophobicContact CB-CE3 4.24Å; M4-W19 HydrophobicContact CB-CZ3 4.44Å; M4-I76 HydrophobicContact CE-CG2 3.42Å; M4-I76 VanDerWaalsContact CE-CG2 3.42Å
5L95.9Very high89.7Confident1 Ų173.6 Ų73.61%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-127.7145.7166.1-65.6174000109.8R18 F20 L73 A75 W84L5-R18 PolarHBondContact N-O 2.97Å; L5-R18 PolarHBondContact O-N 3.08Å; L5-F20 HydrophobicContact CB-CD2 3.65Å; L5-F20 HydrophobicContact CB-CE2 3.8Å; L5-F20 HydrophobicContact CD1-CD2 4.17Å; L5-F20 HydrophobicContact CD1-CG 4.31Å; L5-F20 HydrophobicContact CG-CD2 4.21Å; L5-L73 HydrophobicContact CD1-CB 4.39Å; L5-L73 HydrophobicContact CD1-CD1 4.04Å; L5-A75 HydrophobicContact CD2-CB 3.67Å; L5-W84 HydrophobicContact CD1-CD2 3.93Å; L5-W84 HydrophobicContact CD1-CE3 4.47Å; L5-W84 HydrophobicContact CD1-CG 4.11Å; L5-W84 HydrophobicContact CD1-CZ2 4.34Å; L5-W84 HydrophobicContact CD2-CG 4.24Å; L5-W84 HydrophobicContact CG-CD2 4.46Å; L5-W84 HydrophobicContact CG-CZ2 4.41Å
6Y95.9Very high90Very high88 Ų8873.3 Ų73.335%0.34535%0.351SS..EExtended strand (participates in β ladder)trans-77.2126.7166.6-62.3-82.7000109.3M4 W15 Q16 P17 L73 R74 I76M4-Y6 HydrophobicContact CE-CD2 4.04Å; M4-Y6 HydrophobicContact CE-CE1 4.44Å; M4-Y6 HydrophobicContact CE-CE2 3.66Å; Y6-W15 WeakPolarHBondContact O-CZ3 3.5Å; Y6-Q16 CarbonylContact C-O 3.52Å; Y6-Q16 WeakPolarHBondContact CA-O 3.29Å; Y6-P17 HydrophobicContact CD1-CB 4Å; Y6-P17 HydrophobicContact CE1-CB 3.83Å; Y6-P17 HydrophobicContact CE1-CG 4.35Å; Y6-L73 CarbonylContact O-C 3.55Å; Y6-L73 WeakPolarHBondContact O-CA 3.3Å; Y6-R74 PolarHBondContact N-O 3.48Å; Y6-R74 PolarHBondContact O-N 3.46Å; Y6-I76 HydrophobicContact CE2-CG2 4.14Å
7K94.7Very high90.2Very high22 Ų2272.5 Ų72.510%0.09635%0.354CS..EExtended strand (participates in β ladder)trans-106.4137.3172.8-172.1-171.3178.7-68.20109.6Q16 R18 F20 Y29 F71 L73K7-Q16 PolarHBondContact N-O 3.26Å; K7-Q16 PolarHBondContact O-N 2.81Å; K7-R18 HydrophobicContact CB-CG 4.09Å; K7-F20 HydrophobicContact CB-CE2 4.33Å; K7-F20 HydrophobicContact CB-CZ 4.23Å; K7-F20 HydrophobicContact CD-CZ 4.34Å; K7-F20 HydrophobicContact CG-CZ 4.46Å; K7-Y29 HydrophobicContact CD-CD2 4.34Å; K7-Y29 HydrophobicContact CD-CE1 4.42Å; K7-Y29 HydrophobicContact CD-CE2 3.88Å; K7-F71 HydrophobicContact CD-CD2 4.27Å; K7-F71 HydrophobicContact CD-CE2 4.29Å; K7-L73 HydrophobicContact CB-CD2 3.89Å; K7-L73 HydrophobicContact CG-CD2 3.78Å
8W93Very high90.5Very high73 Ų7370.9 Ų70.928%0.27734%0.343SS..EExtended strand (participates in β ladder)trans-69.8136.3166.6-173.2-101.7000110.8Y11 G14 W15 Y72W8-Y11 HydrophobicContact CZ2-CD1 4.14Å; W8-Y11 HydrophobicContact CZ2-CE1 4.45Å; W8-G14 VanDerWaalsContact CE3-C 3.44Å; W8-G14 VanDerWaalsContact CZ3-CA 3.45Å; W8-W15 HydrophobicContact CB-CD2 4.47Å; W8-W15 HydrophobicContact CB-CE3 4.27Å; W8-W15 HydrophobicContact CB-CH2 4.37Å; W8-W15 HydrophobicContact CB-CZ3 4.22Å; W8-W15 AromaticContact CE3-CD1 3.56Å; W8-W15 AromaticContact CE3-CD2 3.97Å; W8-W15 HydrophobicContact CE3-CD2 3.97Å; W8-W15 AromaticContact CE3-CE2 3.79Å; W8-W15 AromaticContact CE3-CG 3.83Å; W8-W15 HydrophobicContact CE3-CG 3.83Å; W8-W15 AromaticContact CE3-NE1 3.5Å; W8-W15 AromaticContact CZ3-CD1 3.63Å; W8-W15 HydrophobicContact CZ3-CG 4.28Å; W8-W15 AromaticContact CZ3-NE1 3.72Å; W8-Y72 HydrophobicContact CB-CD2 4.13Å; W8-Y72 HydrophobicContact CG-CD2 4.38Å; W8-Y72 PolarHBondContact N-O 3.03Å
9T87.4Confident90.7Very high54 Ų5469.4 Ų69.433%0.33133%0.334SS..  trans-113.9-65.4-175.752.80000112S13 G14 Q16T9-S13 WeakPolarHBondContact OG1-CB 3.07Å; T9-G14 PolarHBondContact N-O 2.97Å; T9-G14 PolarHBondContact OG1-O 3.1Å; T9-Q16 HydrophobicContact CG2-CB 3.91Å; T9-Q16 HydrophobicContact CG2-CG 3.87Å
10N84.7Confident90.9Very high72 Ų7265.9 Ų65.939%0.38532%0.317SS..  trans-161.2-178.917460.343.1000109.8I12 S13 G14N10-I12 PolarHBondContact O-N 2.95Å; N10-I12 WeakPolarHBondContact OD1-CA 3.5Å; N10-I12 WeakPolarHBondContact OD1-CB 3.44Å; N10-I12 PolarHBondContact OD1-N 2.73Å; N10-S13 PolarHBondContact OD1-N 2.68Å; N10-G14 WeakPolarHBondContact O-CA 3.22Å; N10-G14 PolarHBondContact O-N 2.92Å
11Y77.6Confident91.1Very high223 Ų22364.5 Ų64.588%0.87531%0.312SS*.THydrogen-bonded Turntrans-68-14.4179.6-70.2-77.9000115.5W8W8-Y11 HydrophobicContact CZ2-CD1 4.14Å; W8-Y11 HydrophobicContact CZ2-CE1 4.45Å
12I78.8Confident91.3Very high164 Ų16461.2 Ų61.284%0.84130%0.296SS*.THydrogen-bonded Turntrans-92.6-44.9-177.6-56.4173.3000110.5N10N10-I12 PolarHBondContact O-N 2.95Å; N10-I12 WeakPolarHBondContact OD1-CA 3.5Å; N10-I12 WeakPolarHBondContact OD1-CB 3.44Å; N10-I12 PolarHBondContact OD1-N 2.73Å
13S81.8Confident91.1Very high59 Ų5962.2 Ų62.241%0.41331%0.305SS..THydrogen-bonded Turntrans-98.4-17-177.9-56.30000113.5T9 N10 Q16T9-S13 WeakPolarHBondContact OG1-CB 3.07Å; N10-S13 PolarHBondContact OD1-N 2.68Å; S13-Q16 PolarHBondContact O-NE2 2.76Å
14G91.4Very high90.6Very high14 Ų1465 Ų6514%0.14433%0.333CS..  trans59.6-134.617300000114.6W8 T9 N10W8-G14 VanDerWaalsContact CE3-C 3.44Å; W8-G14 VanDerWaalsContact CZ3-CA 3.45Å; T9-G14 PolarHBondContact N-O 2.97Å; T9-G14 PolarHBondContact OG1-O 3.1Å; N10-G14 WeakPolarHBondContact O-CA 3.22Å; N10-G14 PolarHBondContact O-N 2.92Å
15W93.4Very high90.3Very high82 Ų8263 Ų6331%0.31133%0.327SS..EExtended strand (participates in β ladder)trans-78.7118.3173.6-69.5101.1000110.3Y6 W8 Y72 R74Y6-W15 WeakPolarHBondContact O-CZ3 3.5Å; W8-W15 HydrophobicContact CB-CD2 4.47Å; W8-W15 HydrophobicContact CB-CE3 4.27Å; W8-W15 HydrophobicContact CB-CH2 4.37Å; W8-W15 HydrophobicContact CB-CZ3 4.22Å; W8-W15 AromaticContact CE3-CD1 3.56Å; W8-W15 AromaticContact CE3-CD2 3.97Å; W8-W15 HydrophobicContact CE3-CD2 3.97Å; W8-W15 AromaticContact CE3-CE2 3.79Å; W8-W15 AromaticContact CE3-CG 3.83Å; W8-W15 HydrophobicContact CE3-CG 3.83Å; W8-W15 AromaticContact CE3-NE1 3.5Å; W8-W15 AromaticContact CZ3-CD1 3.63Å; W8-W15 HydrophobicContact CZ3-CG 4.28Å; W8-W15 AromaticContact CZ3-NE1 3.72Å; W15-Y72 VanDerWaalsContact CZ3-O 3.3Å; W15-Y72 WeakPolarHBondContact CZ3-O 3.35Å; W15-R74 HydrophobicContact CE3-CB 4.04Å; W15-R74 HydrophobicContact CH2-CB 4.11Å; W15-R74 HydrophobicContact CZ3-CB 3.72Å
16Q93.7Very high90.1Very high68 Ų6864.8 Ų64.832%0.31834%0.338SS..EExtended strand (participates in β ladder)trans-116.5134179.7-71.4-66.1-46.200110.4Y6 K7 T9 S13Y6-Q16 CarbonylContact C-O 3.52Å; Y6-Q16 WeakPolarHBondContact CA-O 3.29Å; K7-Q16 PolarHBondContact N-O 3.26Å; K7-Q16 PolarHBondContact O-N 2.81Å; T9-Q16 HydrophobicContact CG2-CB 3.91Å; T9-Q16 HydrophobicContact CG2-CG 3.87Å; S13-Q16 PolarHBondContact O-NE2 2.76Å
17P94.2Very high90Very high61 Ų6160.7 Ų60.740%0.39632%0.322SS..EExtended strand (participates in β ladder)trans-64.1142.2173.529.1-34.1000109.7M4 Y6M4-P17 HydrophobicContact CG-CB 4.3Å; M4-P17 HydrophobicContact SD-CB 3.54Å; M4-P17 VanDerWaalsContact SD-CB 3.54Å; Y6-P17 HydrophobicContact CD1-CB 4Å; Y6-P17 HydrophobicContact CE1-CB 3.83Å; Y6-P17 HydrophobicContact CE1-CG 4.35Å
18R94.9Very high89.9Confident44 Ų4460.7 Ų60.717%0.16633%0.325CS..EExtended strand (participates in β ladder)trans-146.5141.1179.6-64-64.7162.7160.2-18.2110.2M4 L5 K7 F20 Y29 Y30 D31M4-R18 WeakPolarHBondContact CA-O 3.41Å; L5-R18 PolarHBondContact N-O 2.97Å; L5-R18 PolarHBondContact O-N 3.08Å; K7-R18 HydrophobicContact CB-CG 4.09Å; R18-F20 HydrophobicContact CB-CD2 4.03Å; R18-F20 HydrophobicContact CB-CE2 3.67Å; R18-Y29 HydrophobicContact CB-CD2 4.07Å; R18-Y29 HydrophobicContact CG-CD2 3.88Å; R18-Y29 HydrophobicContact CG-CE2 4.27Å; R18-Y30 WeakPolarHBondContact CD-O 3.42Å; R18-D31 IonicContact CZ-OD1 2.63Å; R18-D31 IonicContact NH1-OD1 2.71Å; R18-D31 PolarHBondContact NH1-OD1 2.97Å; R18-D31 IonicContact NH2-OD1 2.65Å
19W94.4Very high90Very high41 Ų4158.8 Ų58.816%0.15532%0.318CS..EExtended strand (participates in β ladder)trans-78.8125.8167.3-167.3-109.4000109.3E2 M4 Y29 Y30 Q33E2-W19 HydrophobicContact CB-CZ2 3.84Å; E2-W19 HydrophobicContact CG-CZ2 3.74Å; E2-W19 PolarHBondContact OE2-NE1 2.89Å; M4-W19 HydrophobicContact CB-CE3 4.24Å; M4-W19 HydrophobicContact CB-CZ3 4.44Å; W19-Y29 CarbonylContact O-C 3.54Å; W19-Y29 VanDerWaalsContact O-CA 3.22Å; W19-Y29 WeakPolarHBondContact O-CA 3.43Å; W19-Y30 PolarHBondContact N-O 3.38Å; W19-Y30 PolarHBondContact O-N 3.45Å; W19-Q33 HydrophobicContact CD2-CB 3.72Å; W19-Q33 HydrophobicContact CD2-CG 4.02Å; W19-Q33 HydrophobicContact CE3-CB 4.06Å; W19-Q33 HydrophobicContact CG-CB 3.93Å; W19-Q33 HydrophobicContact CG-CG 4.37Å; W19-Q33 HydrophobicContact CH2-CG 4.43Å; W19-Q33 HydrophobicContact CZ2-CB 4.42Å; W19-Q33 HydrophobicContact CZ2-CG 3.89Å; W19-Q33 VanDerWaalsContact CZ2-NE2 3.31Å
20F95.3Very high90.2Very high0 Ų058.1 Ų58.10%031%0.309CS..EExtended strand (participates in β ladder)trans-112.3140.1176.7-82.6-94.6000110.3E2 G3 L5 K7 R18 L27 S28 Y29 F71 L73 W84E2-F20 CarbonylContact C-O 3.33Å; E2-F20 WeakPolarHBondContact CA-O 3.47Å; E2-F20 WeakPolarHBondContact CB-O 3.44Å; G3-F20 PolarHBondContact N-O 3.28Å; G3-F20 PolarHBondContact O-N 3.02Å; L5-F20 HydrophobicContact CB-CD2 3.65Å; L5-F20 HydrophobicContact CB-CE2 3.8Å; L5-F20 HydrophobicContact CD1-CD2 4.17Å; L5-F20 HydrophobicContact CD1-CG 4.31Å; L5-F20 HydrophobicContact CG-CD2 4.21Å; K7-F20 HydrophobicContact CB-CE2 4.33Å; K7-F20 HydrophobicContact CB-CZ 4.23Å; K7-F20 HydrophobicContact CD-CZ 4.34Å; K7-F20 HydrophobicContact CG-CZ 4.46Å; R18-F20 HydrophobicContact CB-CD2 4.03Å; R18-F20 HydrophobicContact CB-CE2 3.67Å; F20-L27 HydrophobicContact CB-CD1 4.2Å; F20-L27 HydrophobicContact CD1-CD1 3.8Å; F20-L27 HydrophobicContact CD1-CD2 3.99Å; F20-L27 HydrophobicContact CD1-CG 3.81Å; F20-L27 HydrophobicContact CE1-CD2 4.18Å; F20-L27 HydrophobicContact CE1-CG 4.34Å; F20-L27 HydrophobicContact CG-CD1 4.47Å; F20-S28 WeakPolarHBondContact CA-O 3.48Å; F20-Y29 VanDerWaalsContact CE1-CB 3.5Å; F20-Y29 HydrophobicContact CE1-CD1 4.4Å; F20-Y29 HydrophobicContact CE1-CG 4.06Å; F20-Y29 HydrophobicContact CZ-CD2 4.48Å; F20-Y29 HydrophobicContact CZ-CG 4.09Å; F20-F71 HydrophobicContact CE1-CD2 4.35Å; F20-F71 HydrophobicContact CE1-CE2 4.48Å; F20-L73 HydrophobicContact CE1-CD1 4.31Å; F20-L73 HydrophobicContact CE1-CD2 4.1Å; F20-L73 HydrophobicContact CE2-CD2 3.95Å; F20-L73 HydrophobicContact CZ-CD1 4.32Å; F20-L73 HydrophobicContact CZ-CD2 3.38Å; F20-W84 HydrophobicContact CB-CH2 3.62Å; F20-W84 HydrophobicContact CB-CZ2 3.9Å; F20-W84 HydrophobicContact CB-CZ3 4.44Å
21V94.5Very high90.3Very high36 Ų3657.3 Ų57.322%0.21831%0.305CS..EExtended strand (participates in β ladder)trans-130.4115.5176.1-176.20000108.6E2 D23 L27 S28 Y30E2-V21 HydrophobicContact CB-CB 4.47Å; E2-V21 HydrophobicContact CB-CG1 4.49Å; E2-V21 HydrophobicContact CB-CG2 4.01Å; V21-D23 HydrophobicContact CG1-CB 4.42Å; V21-L27 CarbonylContact O-C 3.43Å; V21-L27 WeakPolarHBondContact O-CA 3.46Å; V21-S28 PolarHBondContact N-O 3.22Å; V21-S28 PolarHBondContact O-N 3.42Å; V21-Y30 HydrophobicContact CB-CE2 4.29Å; V21-Y30 HydrophobicContact CG2-CD2 4.34Å; V21-Y30 HydrophobicContact CG2-CE2 3.86Å
22L93.9Very high90.7Very high13 Ų1348.4 Ų48.47%0.06828%0.275CS..EExtended strand (participates in β ladder)trans-97.2107.9169.7173.762.1000109.2M1 T26 L27 I46 W84 A87 L88 A91M1-L22 HydrophobicContact CB-CB 4.43Å; M1-L22 PolarHBondContact N-O 3.25Å; M1-L22 PolarHBondContact O-N 3.47Å; L22-T26 WeakPolarHBondContact CA-O 3.35Å; L22-L27 HydrophobicContact CB-CD1 3.92Å; L22-L27 HydrophobicContact CD1-CB 4.32Å; L22-I46 HydrophobicContact CD1-CG1 3.66Å; L22-W84 HydrophobicContact CB-CZ3 4.02Å; L22-A87 HydrophobicContact CD2-CB 4Å; L22-L88 HydrophobicContact CD1-CD2 4.34Å; L22-L88 HydrophobicContact CD2-CD2 3.91Å; L22-L88 HydrophobicContact CD2-CG 4.26Å; L22-A91 HydrophobicContact CD1-CB 4.24Å; L22-A91 HydrophobicContact CD2-CB 4.17Å
23D90.8Very high91.1Very high125 Ų12545 Ų4567%0.66826%0.256SS*.EExtended strand (participates in β ladder)trans-143.1149.8176.5-17738.1000111.2V21 G25 T26V21-D23 HydrophobicContact CG1-CB 4.42Å; D23-G25 PolarHBondContact O-N 3.07Å; D23-T26 PolarHBondContact N-O 3.47Å; D23-T26 WeakPolarHBondContact O-CA 3.47Å; D23-T26 PolarHBondContact O-N 3.33Å
24G81.9Confident91Very high69 Ų6948.5 Ų48.571%0.71127%0.266SS*.THydrogen-bonded Turntrans55.323.817800000115.5T26G24-T26 VanDerWaalsContact C-N 3.29Å; G24-T26 PolarHBondContact O-N 2.92Å
25G87.6Confident90.3Very high13 Ų1349.6 Ų49.613%0.13427%0.268CS..THydrogen-bonded Turntrans76.510.3-172.900000115.2D23 I46D23-G25 PolarHBondContact O-N 3.07Å; G25-I46 WeakPolarHBondContact O-CB 3.49Å; G25-I46 PolarHBondContact O-N 2.92Å
26T91.8Very high89.3Confident40 Ų4047.6 Ų47.625%0.24527%0.269CS..EExtended strand (participates in β ladder)trans-118.2132.6178.7-56.90000110.2L22 D23 G24 I44L22-T26 WeakPolarHBondContact CA-O 3.35Å; D23-T26 PolarHBondContact N-O 3.47Å; D23-T26 WeakPolarHBondContact O-CA 3.47Å; D23-T26 PolarHBondContact O-N 3.33Å; G24-T26 VanDerWaalsContact C-N 3.29Å; G24-T26 PolarHBondContact O-N 2.92Å; T26-I44 CarbonylContact C-O 3.58Å; T26-I44 WeakPolarHBondContact CA-O 3.43Å
27L93.9Very high88.3Confident1 Ų154 Ų541%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-102106.7174.5178.873.1000109.4F20 V21 L22 S43 I44 I46 L63 W84 L88F20-L27 HydrophobicContact CB-CD1 4.2Å; F20-L27 HydrophobicContact CD1-CD1 3.8Å; F20-L27 HydrophobicContact CD1-CD2 3.99Å; F20-L27 HydrophobicContact CD1-CG 3.81Å; F20-L27 HydrophobicContact CE1-CD2 4.18Å; F20-L27 HydrophobicContact CE1-CG 4.34Å; F20-L27 HydrophobicContact CG-CD1 4.47Å; V21-L27 CarbonylContact O-C 3.43Å; V21-L27 WeakPolarHBondContact O-CA 3.46Å; L22-L27 HydrophobicContact CB-CD1 3.92Å; L22-L27 HydrophobicContact CD1-CB 4.32Å; L27-S43 CarbonylContact O-C 3.6Å; L27-S43 WeakPolarHBondContact O-CA 3.34Å; L27-I44 PolarHBondContact N-O 3.21Å; L27-I44 PolarHBondContact O-N 2.86Å; L27-I46 HydrophobicContact CB-CD1 3.76Å; L27-I46 HydrophobicContact CB-CG1 4.25Å; L27-I46 HydrophobicContact CD2-CD1 4.42Å; L27-L63 HydrophobicContact CD2-CD1 3.41Å; L27-L63 VanDerWaalsContact CD2-CD1 3.41Å; L27-W84 HydrophobicContact CD1-CH2 4.21Å; L27-W84 HydrophobicContact CD1-CZ3 3.69Å; L27-L88 HydrophobicContact CD1-CD2 4.4Å; L27-L88 HydrophobicContact CD2-CD2 4.11Å
28S93.6Very high87.3Confident22 Ų2256.5 Ų56.515%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-100.6153.8176.2-62.40000111.1F20 V21 S43F20-S28 WeakPolarHBondContact CA-O 3.48Å; V21-S28 PolarHBondContact N-O 3.22Å; V21-S28 PolarHBondContact O-N 3.42Å; S28-S43 VanDerWaalsContact OG-CB 3.31Å; S28-S43 WeakPolarHBondContact OG-CB 3.31Å
29Y93.6Very high86.3Confident33 Ų3356.1 Ų56.113%0.12931%0.305CS..EExtended strand (participates in β ladder)trans-137.5156.2174.682.5-78.2000114.2K7 R18 W19 F20 C40 K41 G42 F71K7-Y29 HydrophobicContact CD-CD2 4.34Å; K7-Y29 HydrophobicContact CD-CE1 4.42Å; K7-Y29 HydrophobicContact CD-CE2 3.88Å; R18-Y29 HydrophobicContact CB-CD2 4.07Å; R18-Y29 HydrophobicContact CG-CD2 3.88Å; R18-Y29 HydrophobicContact CG-CE2 4.27Å; W19-Y29 CarbonylContact O-C 3.54Å; W19-Y29 VanDerWaalsContact O-CA 3.22Å; W19-Y29 WeakPolarHBondContact O-CA 3.43Å; F20-Y29 VanDerWaalsContact CE1-CB 3.5Å; F20-Y29 HydrophobicContact CE1-CD1 4.4Å; F20-Y29 HydrophobicContact CE1-CG 4.06Å; F20-Y29 HydrophobicContact CZ-CD2 4.48Å; F20-Y29 HydrophobicContact CZ-CG 4.09Å; Y29-C40 CarbonylContact O-C 3.53Å; Y29-C40 WeakPolarHBondContact O-CA 3.46Å; Y29-C40 WeakPolarHBondContact O-CB 3.5Å; Y29-K41 HydrophobicContact CD2-CB 4.11Å; Y29-K41 HydrophobicContact CE1-CB 4.3Å; Y29-K41 WeakPolarHBondContact CE1-O 3.4Å; Y29-K41 HydrophobicContact CE2-CB 3.63Å; Y29-K41 VanDerWaalsContact CZ-O 3.31Å; Y29-K41 PolarHBondContact O-N 3.14Å; Y29-K41 PolarHBondContact OH-O 3.2Å; Y29-G42 VanDerWaalsContact CD1-O 3.27Å; Y29-G42 WeakPolarHBondContact CD1-O 3.46Å; Y29-G42 PolarHBondContact N-O 2.97Å; Y29-F71 AromaticContact CD1-CE2 3.78Å; Y29-F71 HydrophobicContact CD1-CE2 3.78Å; Y29-F71 HydrophobicContact CD1-CZ 4.21Å; Y29-F71 AromaticContact CE1-CE2 3.71Å; Y29-F71 HydrophobicContact CE1-CE2 3.71Å; Y29-F71 AromaticContact CE1-CZ 3.69Å; Y29-F71 HydrophobicContact CE1-CZ 3.69Å
30Y92.7Very high85.9Confident40 Ų4057 Ų5716%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-135.7170.9-170.3-54.3-91.7000110.6R18 W19 V21 S32 A36 G39 C40R18-Y30 WeakPolarHBondContact CD-O 3.42Å; W19-Y30 PolarHBondContact N-O 3.38Å; W19-Y30 PolarHBondContact O-N 3.45Å; V21-Y30 HydrophobicContact CB-CE2 4.29Å; V21-Y30 HydrophobicContact CG2-CD2 4.34Å; V21-Y30 HydrophobicContact CG2-CE2 3.86Å; Y30-S32 WeakPolarHBondContact CB-O 3.47Å; Y30-A36 HydrophobicContact CD1-CB 4.07Å; Y30-A36 HydrophobicContact CE1-CB 4.18Å; Y30-A36 HydrophobicContact CG-CB 4.33Å; Y30-G39 WeakPolarHBondContact CD1-O 3.38Å; Y30-C40 HydrophobicContact CD1-CB 4.13Å; Y30-C40 HydrophobicContact CE1-CB 3.63Å
31D86.6Confident85.5Confident56 Ų5661.7 Ų61.730%0.29934%0.337SS..SBendtrans-66.2-51.5172.2-66.4-31.3000110.4R18 D35 K41R18-D31 IonicContact CZ-OD1 2.63Å; R18-D31 IonicContact NH1-OD1 2.71Å; R18-D31 PolarHBondContact NH1-OD1 2.97Å; R18-D31 IonicContact NH2-OD1 2.65Å; D31-D35 HydrophobicContact CB-CB 4.44Å; D31-K41 WeakPolarHBondContact OD1-CE 3.31Å; D31-K41 IonicContact OD1-NZ 3.04Å; D31-K41 PolarHBondContact OD1-NZ 3.21Å; D31-K41 VanDerWaalsContact OD2-CE 3.29Å; D31-K41 WeakPolarHBondContact OD2-CE 3.38Å; D31-K41 IonicContact OD2-NZ 2.95Å; D31-K41 PolarHBondContact OD2-NZ 3.27Å
32S87.1Confident85.1Confident35 Ų3561.2 Ų61.225%0.24534%0.34CS..  trans-142.7-179.7173.381.40000111.3Y30 E34 D35Y30-S32 WeakPolarHBondContact CB-O 3.47Å; S32-E34 WeakPolarHBondContact CB-OE2 3.36Å; S32-E34 PolarHBondContact OG-N 3.09Å; S32-E34 PolarHBondContact OG-OE2 3.41Å; S32-D35 PolarHBondContact OG-N 3.25Å
33Q86.4Confident84.9Confident92 Ų9263.8 Ų63.843%0.4336%0.359SS..SBendtrans-70.7-39.5176.9-172.8173.814.600111.2W19 D35 A36W19-Q33 HydrophobicContact CD2-CB 3.72Å; W19-Q33 HydrophobicContact CD2-CG 4.02Å; W19-Q33 HydrophobicContact CE3-CB 4.06Å; W19-Q33 HydrophobicContact CG-CB 3.93Å; W19-Q33 HydrophobicContact CG-CG 4.37Å; W19-Q33 HydrophobicContact CH2-CG 4.43Å; W19-Q33 HydrophobicContact CZ2-CB 4.42Å; W19-Q33 HydrophobicContact CZ2-CG 3.89Å; W19-Q33 VanDerWaalsContact CZ2-NE2 3.31Å; Q33-D35 VanDerWaalsContact C-N 3.26Å; Q33-D35 PolarHBondContact O-N 2.81Å; Q33-A36 WeakPolarHBondContact O-CB 3.22Å; Q33-A36 PolarHBondContact O-N 3.04Å
34E80.1Confident84.9Confident133 Ų13358 Ų5862%0.62133%0.328SS*.THydrogen-bonded Turntrans-70.5-23.4-179.8-49.273.1-159.300112.1S32 W37S32-E34 WeakPolarHBondContact CB-OE2 3.36Å; S32-E34 PolarHBondContact OG-N 3.09Å; S32-E34 PolarHBondContact OG-OE2 3.41Å; E34-W37 PolarHBondContact O-NE1 3.25Å
35D76.9Confident85.3Confident37 Ų3761.2 Ų61.220%0.19832%0.322CS..THydrogen-bonded Turntrans-913.7-179.8-91.86.4000114D31 S32 Q33 W37 K38D31-D35 HydrophobicContact CB-CB 4.44Å; S32-D35 PolarHBondContact OG-N 3.25Å; Q33-D35 VanDerWaalsContact C-N 3.26Å; Q33-D35 PolarHBondContact O-N 2.81Å; D35-W37 PolarHBondContact O-N 2.82Å; D35-W37 VanDerWaalsContact O-N 3.08Å; D35-K38 HydrophobicContact CB-CD 4.12Å; D35-K38 VanDerWaalsContact CG-CE 3.49Å; D35-K38 WeakPolarHBondContact O-CB 3.26Å; D35-K38 PolarHBondContact O-N 3.34Å; D35-K38 WeakPolarHBondContact OD1-CE 3.39Å; D35-K38 IonicContact OD1-NZ 2.83Å; D35-K38 PolarHBondContact OD1-NZ 2.62Å; D35-K38 IonicContact OD2-NZ 3.25Å; D35-K38 PolarHBondContact OD2-NZ 3.39Å
36A71.7Confident85.4Confident40 Ų4060.6 Ų60.633%0.33132%0.316SS..G310 helixtrans-57.6-26.9-177.400000114.3Y30 Q33 K38 G39Y30-A36 HydrophobicContact CD1-CB 4.07Å; Y30-A36 HydrophobicContact CE1-CB 4.18Å; Y30-A36 HydrophobicContact CG-CB 4.33Å; Q33-A36 WeakPolarHBondContact O-CB 3.22Å; Q33-A36 PolarHBondContact O-N 3.04Å; A36-K38 PolarHBondContact O-N 3.1Å; A36-G39 PolarHBondContact O-N 2.92Å
37W72.2Confident85.1Confident203 Ų20361.4 Ų61.477%0.76932%0.323SS*.G310 helixtrans-69.6-15.7175.362.7-89.6000114.2E34 D35 G39E34-W37 PolarHBondContact O-NE1 3.25Å; D35-W37 PolarHBondContact O-N 2.82Å; D35-W37 VanDerWaalsContact O-N 3.08Å; W37-G39 PolarHBondContact O-N 3.19Å
38K74.6Confident84.6Confident113 Ų11365 Ų6549%0.49135%0.345SS..G310 helixtrans-78.5-1.9176.1-60.9178.4-177.7163.20113.2D35 A36D35-K38 HydrophobicContact CB-CD 4.12Å; D35-K38 VanDerWaalsContact CG-CE 3.49Å; D35-K38 WeakPolarHBondContact O-CB 3.26Å; D35-K38 PolarHBondContact O-N 3.34Å; D35-K38 WeakPolarHBondContact OD1-CE 3.39Å; D35-K38 IonicContact OD1-NZ 2.83Å; D35-K38 PolarHBondContact OD1-NZ 2.62Å; D35-K38 IonicContact OD2-NZ 3.25Å; D35-K38 PolarHBondContact OD2-NZ 3.39Å; A36-K38 PolarHBondContact O-N 3.1Å
39G73.1Confident84.2Confident37 Ų3764 Ų6438%0.38134%0.338SS..  trans91.4159.2-173.700000112.9Y30 A36 W37Y30-G39 WeakPolarHBondContact CD1-O 3.38Å; A36-G39 PolarHBondContact O-N 2.92Å; W37-G39 PolarHBondContact O-N 3.19Å
40C86.1Confident84Confident60 Ų6067.7 Ų67.741%0.40536%0.356SS..  trans-75.8150.1179.460.90000111.9Y29 Y30Y29-C40 CarbonylContact O-C 3.53Å; Y29-C40 WeakPolarHBondContact O-CA 3.46Å; Y29-C40 WeakPolarHBondContact O-CB 3.5Å; Y30-C40 HydrophobicContact CD1-CB 4.13Å; Y30-C40 HydrophobicContact CE1-CB 3.63Å
41K86.8Confident84Confident97 Ų9768 Ų6842%0.42236%0.36SS..SBendtrans-86.14.2174.1-61.1-63.3171104.50113Y29 D31Y29-K41 HydrophobicContact CD2-CB 4.11Å; Y29-K41 HydrophobicContact CE1-CB 4.3Å; Y29-K41 WeakPolarHBondContact CE1-O 3.4Å; Y29-K41 HydrophobicContact CE2-CB 3.63Å; Y29-K41 VanDerWaalsContact CZ-O 3.31Å; Y29-K41 PolarHBondContact O-N 3.14Å; Y29-K41 PolarHBondContact OH-O 3.2Å; D31-K41 WeakPolarHBondContact OD1-CE 3.31Å; D31-K41 IonicContact OD1-NZ 3.04Å; D31-K41 PolarHBondContact OD1-NZ 3.21Å; D31-K41 VanDerWaalsContact OD2-CE 3.29Å; D31-K41 WeakPolarHBondContact OD2-CE 3.38Å; D31-K41 IonicContact OD2-NZ 2.95Å; D31-K41 PolarHBondContact OD2-NZ 3.27Å
42G86.3Confident84.2Confident26 Ų2670.5 Ų70.527%0.26837%0.37SS..EExtended strand (participates in β ladder)trans147.9162.6178.500000110.8Y29Y29-G42 VanDerWaalsContact CD1-O 3.27Å; Y29-G42 WeakPolarHBondContact CD1-O 3.46Å; Y29-G42 PolarHBondContact N-O 2.97Å
43S90.4Very high84.4Confident67 Ų6772.6 Ų72.647%0.46938%0.381SS..EExtended strand (participates in β ladder)trans-151.5154.1178.158.10000111.6L27 S28L27-S43 CarbonylContact O-C 3.6Å; L27-S43 WeakPolarHBondContact O-CA 3.34Å; S28-S43 VanDerWaalsContact OG-CB 3.31Å; S28-S43 WeakPolarHBondContact OG-CB 3.31Å
44I90.2Very high84.5Confident3 Ų371.2 Ų71.22%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-130.5133.9-178-64.2-174.7000109.3T26 L27 C49 I65 F71T26-I44 CarbonylContact C-O 3.58Å; T26-I44 WeakPolarHBondContact CA-O 3.43Å; L27-I44 PolarHBondContact N-O 3.21Å; L27-I44 PolarHBondContact O-N 2.86Å; I44-C49 HydrophobicContact CG2-CB 3.87Å; I44-I65 HydrophobicContact CB-CD1 4.45Å; I44-I65 HydrophobicContact CD1-CD1 4.03Å; I44-I65 HydrophobicContact CD1-CG1 4.43Å; I44-I65 HydrophobicContact CG1-CD1 4Å; I44-I65 HydrophobicContact CG2-CD1 3.86Å; I44-I65 HydrophobicContact CG2-CG1 4.17Å; I44-F71 HydrophobicContact CD1-CB 4.16Å; I44-F71 HydrophobicContact CD1-CD1 3.69Å; I44-F71 HydrophobicContact CD1-CD2 3.55Å; I44-F71 HydrophobicContact CD1-CE1 3.84Å; I44-F71 HydrophobicContact CD1-CE2 3.7Å; I44-F71 HydrophobicContact CD1-CG 3.55Å; I44-F71 HydrophobicContact CD1-CZ 3.83Å; I44-F71 HydrophobicContact CG1-CD2 4.43Å; I44-F71 HydrophobicContact CG1-CE1 4.47Å; I44-F71 HydrophobicContact CG1-CE2 4.12Å; I44-F71 HydrophobicContact CG1-CZ 4.13Å
45K89.2Confident84.7Confident137 Ų13770.6 Ų70.660%0.59639%0.385SS*.EExtended strand (participates in β ladder)trans-78.6123.3168.3-72-178.9179.1176.40110.1S47 V48 C49K45-S47 PolarHBondContact O-N 3.08Å; K45-V48 HydrophobicContact CB-CG2 4.25Å; K45-V48 VanDerWaalsContact O-CG2 3.3Å; K45-V48 WeakPolarHBondContact O-CG2 3.28Å; K45-V48 PolarHBondContact O-N 3.29Å; K45-V48 VanDerWaalsContact O-N 3.15Å; K45-C49 PolarHBondContact O-N 3.36Å
46I90.7Very high85.2Confident0 Ų073.8 Ų73.80%041%0.41CS..THydrogen-bonded Turntrans-69.6-17.8-175.5-62.8-53.5000113L22 G25 L27 V48 C49 L88 A91 K92L22-I46 HydrophobicContact CD1-CG1 3.66Å; G25-I46 WeakPolarHBondContact O-CB 3.49Å; G25-I46 PolarHBondContact O-N 2.92Å; L27-I46 HydrophobicContact CB-CD1 3.76Å; L27-I46 HydrophobicContact CB-CG1 4.25Å; L27-I46 HydrophobicContact CD2-CD1 4.42Å; I46-V48 VanDerWaalsContact C-N 3.31Å; I46-V48 PolarHBondContact O-N 2.72Å; I46-C49 VanDerWaalsContact CD1-SG 3.6Å; I46-L88 HydrophobicContact CD1-CD2 3.53Å; I46-L88 HydrophobicContact CG1-CD2 4.09Å; I46-L88 WeakPolarHBondContact CG2-O 3.43Å; I46-A91 HydrophobicContact CG2-CB 4.15Å; I46-K92 HydrophobicContact CG2-CB 3.76Å; I46-K92 HydrophobicContact CG2-CG 4.45Å; I46-K92 WeakPolarHBondContact O-CG 3.36Å
47S84.4Confident86.2Confident58 Ų5873.4 Ų73.441%0.40640%0.403SS..THydrogen-bonded Turntrans-62.7-33170.9470000113.8K45K45-S47 PolarHBondContact O-N 3.08Å
48V83.6Confident87.1Confident77 Ų7767.5 Ų67.547%0.46739%0.391SS..THydrogen-bonded Turntrans-100-18.4-175.2-57.90000114.1K45 I46 I65K45-V48 HydrophobicContact CB-CG2 4.25Å; K45-V48 VanDerWaalsContact O-CG2 3.3Å; K45-V48 WeakPolarHBondContact O-CG2 3.28Å; K45-V48 PolarHBondContact O-N 3.29Å; K45-V48 VanDerWaalsContact O-N 3.15Å; I46-V48 VanDerWaalsContact C-N 3.31Å; I46-V48 PolarHBondContact O-N 2.72Å; V48-I65 HydrophobicContact CG2-CG2 4.23Å
49C85.7Confident88Confident0 Ų063.1 Ų63.10%037%0.373CS..  trans-83.1138.8178.872.30000113.1I44 K45 I46 I64 I65 K92I44-C49 HydrophobicContact CG2-CB 3.87Å; K45-C49 PolarHBondContact O-N 3.36Å; I46-C49 VanDerWaalsContact CD1-SG 3.6Å; C49-I64 CarbonylContact C-O 3.51Å; C49-I64 VanDerWaalsContact CA-O 3.24Å; C49-I64 WeakPolarHBondContact CA-O 3.3Å; C49-I65 HydrophobicContact CB-CG1 4.27Å; C49-K92 PolarHBondContact O-NZ 3.24Å
50E89.3Confident89Confident110 Ų11064.2 Ų64.251%0.51437%0.366SS..EExtended strand (participates in β ladder)trans-81.6142161.5-59.4-170.316400110.2L63 I64 P66E50-L63 WeakPolarHBondContact O-CA 3.44Å; E50-I64 HydrophobicContact CB-CB 4.41Å; E50-I64 PolarHBondContact N-O 2.9Å; E50-I64 PolarHBondContact O-N 2.91Å; E50-P66 HydrophobicContact CG-CG 4.39Å
51I92.1Very high89.3Confident46 Ų4661.3 Ų61.324%0.23635%0.346CS..EExtended strand (participates in β ladder)trans-109.1100.8-176.7-55.4167.3000107.4L63 L85 L88 K92I51-L63 HydrophobicContact CB-CD2 4.15Å; I51-L63 HydrophobicContact CG1-CD2 3.82Å; I51-L63 HydrophobicContact CG2-CD2 4.03Å; I51-L85 HydrophobicContact CG2-CD2 3.62Å; I51-L88 HydrophobicContact CD1-CB 3.82Å; I51-K92 HydrophobicContact CD1-CD 4.47Å
52Q91.4Very high89.6Confident109 Ų10956.9 Ų56.951%0.50933%0.327SS..EExtended strand (participates in β ladder)trans-94.7123.8-178-162.6179.836.600111.4D62 I64Q52-D62 HydrophobicContact CB-CB 4.41Å; Q52-D62 PolarHBondContact N-O 2.93Å; Q52-D62 PolarHBondContact O-N 3.33Å; Q52-I64 HydrophobicContact CB-CD1 4.29Å
53V90.4Very high90Very high79 Ų7955.7 Ų55.748%0.47932%0.315SS..EExtended strand (participates in β ladder)trans-96110.3178.6-176.70000109.1S55 L85V53-S55 PolarHBondContact O-N 2.89Å; V53-L85 HydrophobicContact CG1-CD1 4.17Å; V53-L85 HydrophobicContact CG2-CD1 3.91Å; V53-L85 HydrophobicContact CG2-CD2 3.86Å
54H88.6Confident89.9Confident64 Ų6453.5 Ų53.530%0.29630%0.297SS..  trans-64.5116.6179-161.6-87.9000111.2S56 D57 R60 R81H54-S56 PolarHBondContact O-N 3.23Å; H54-D57 HydrophobicContact CB-CB 4.35Å; H54-D57 VanDerWaalsContact ND1-CB 3.3Å; H54-D57 WeakPolarHBondContact ND1-CB 3.09Å; H54-D57 PolarHBondContact ND1-N 3.44Å; H54-D57 VanDerWaalsContact ND1-N 3.19Å; H54-R60 HydrophobicContact CB-CB 4.04Å; H54-R60 HydrophobicContact CB-CG 4.13Å; H54-R81 PolarHBondContact O-NH2 3.26Å
55S84.8Confident89.8Confident119 Ų11953.8 Ų53.883%0.83230%0.299SS*.THydrogen-bonded Turntrans-64.1-39.5-171.952.50000113.5V53V53-S55 PolarHBondContact O-N 2.89Å
56S87.6Confident89.3Confident104 Ų10451 Ų5173%0.72730%0.295SS*.THydrogen-bonded Turntrans-97-5.1-174.3-45.70000115.3H54H54-S56 PolarHBondContact O-N 3.23Å
57D91.8Very high88.3Confident33 Ų3355.3 Ų55.318%0.17634%0.339CS..  trans-119.4109.8179.6-176.7-25.7000108.8H54 T59 R60 R74 R81H54-D57 HydrophobicContact CB-CB 4.35Å; H54-D57 VanDerWaalsContact ND1-CB 3.3Å; H54-D57 WeakPolarHBondContact ND1-CB 3.09Å; H54-D57 PolarHBondContact ND1-N 3.44Å; H54-D57 VanDerWaalsContact ND1-N 3.19Å; D57-T59 PolarHBondContact O-N 3.21Å; D57-T59 VanDerWaalsContact O-N 3.11Å; D57-T59 WeakPolarHBondContact OD1-CA 3.41Å; D57-T59 WeakPolarHBondContact OD1-CB 3.27Å; D57-T59 PolarHBondContact OD1-N 3.24Å; D57-T59 PolarHBondContact OD1-OG1 3.47Å; D57-R60 HydrophobicContact CB-CB 3.9Å; D57-R60 PolarHBondContact OD1-N 3.21Å; D57-R74 IonicContact OD2-NE 3.95Å; D57-R74 IonicContact OD2-NH2 3.99Å; D57-R81 VanDerWaalsContact O-CZ 3.24Å; D57-R81 PolarHBondContact O-NH2 3.15Å
58P91.2Very high87.9Confident79 Ų7959.1 Ų59.151%0.51335%0.35SS..THydrogen-bonded Turntrans-73.21.1-177.232.8-36.9000113.5A78 R81P58-A78 HydrophobicContact CB-CB 4.21Å; P58-A78 WeakPolarHBondContact O-CA 3.45Å; P58-A78 VanDerWaalsContact O-CB 3.3Å; P58-A78 WeakPolarHBondContact O-CB 3.42Å; P58-R81 VanDerWaalsContact C-CD 3.5Å; P58-R81 WeakPolarHBondContact O-CD 3.46Å
59T93.8Very high87.7Confident20 Ų2060.3 Ų60.312%0.12335%0.351CS..THydrogen-bonded Turntrans-114.9-19.3179.561.50000114.4D57 R74 A75D57-T59 PolarHBondContact O-N 3.21Å; D57-T59 VanDerWaalsContact O-N 3.11Å; D57-T59 WeakPolarHBondContact OD1-CA 3.41Å; D57-T59 WeakPolarHBondContact OD1-CB 3.27Å; D57-T59 PolarHBondContact OD1-N 3.24Å; D57-T59 PolarHBondContact OD1-OG1 3.47Å; T59-R74 PolarHBondContact OG1-NE 2.8Å; T59-R74 PolarHBondContact OG1-NH2 2.81Å; T59-A75 PolarHBondContact O-N 2.95Å
60R93.7Very high87.8Confident60 Ų6066.2 Ų66.223%0.22637%0.374CS..EExtended strand (participates in β ladder)trans-93.2137.1-173.8-178.1175.3170.8-179.2-6.1113.7H54 D57 D62 L73 R81H54-R60 HydrophobicContact CB-CB 4.04Å; H54-R60 HydrophobicContact CB-CG 4.13Å; D57-R60 HydrophobicContact CB-CB 3.9Å; D57-R60 PolarHBondContact OD1-N 3.21Å; R60-D62 WeakPolarHBondContact CG-OD1 3.33Å; R60-D62 IonicContact CZ-OD1 2.77Å; R60-D62 IonicContact CZ-OD2 3.64Å; R60-D62 VanDerWaalsContact NE-CG 3.35Å; R60-D62 IonicContact NE-OD1 2.68Å; R60-D62 PolarHBondContact NE-OD1 3.36Å; R60-D62 IonicContact NE-OD2 2.64Å; R60-D62 PolarHBondContact NE-OD2 2.78Å; R60-D62 IonicContact NH2-OD1 2.68Å; R60-D62 IonicContact NH2-OD2 3.89Å; R60-D62 PolarHBondContact NH2-OD2 3.06Å; R60-L73 WeakPolarHBondContact CA-O 3.24Å; R60-R81 PolarHBondContact O-NE 3.4Å; R60-R81 PolarHBondContact O-NH2 3.32Å
61L94.3Very high87.9Confident0 Ų061.3 Ų61.30%035%0.351CS..EExtended strand (participates in β ladder)trans-139.7131.917068.5102.1000108.2L63 L73 R81 W84 L85 L88L61-L63 HydrophobicContact CD1-CD2 4.4Å; L61-L63 HydrophobicContact CD1-CG 4.45Å; L61-L73 HydrophobicContact CD1-CB 4.21Å; L61-L73 HydrophobicContact CD1-CD1 4.1Å; L61-L73 HydrophobicContact CG-CB 4.24Å; L61-L73 PolarHBondContact N-O 3.41Å; L61-L73 CarbonylContact O-C 3.58Å; L61-L73 WeakPolarHBondContact O-CA 3.36Å; L61-L73 VanDerWaalsContact O-CB 3.24Å; L61-L73 WeakPolarHBondContact O-CB 3.34Å; L61-L73 PolarHBondContact O-N 2.87Å; L61-R81 HydrophobicContact CD2-CG 3.96Å; L61-W84 HydrophobicContact CD2-CB 4.05Å; L61-L85 HydrophobicContact CB-CD2 3.92Å; L61-L85 HydrophobicContact CB-CG 4.47Å; L61-L85 HydrophobicContact CD2-CG 4.43Å; L61-L88 HydrophobicContact CD1-CD1 4.09Å
62D92.9Very high88Confident4 Ų463 Ų632%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-114.7134.8-175.8-60.9-23.6000109.3Q52 R60 Y72Q52-D62 HydrophobicContact CB-CB 4.41Å; Q52-D62 PolarHBondContact N-O 2.93Å; Q52-D62 PolarHBondContact O-N 3.33Å; R60-D62 WeakPolarHBondContact CG-OD1 3.33Å; R60-D62 IonicContact CZ-OD1 2.77Å; R60-D62 IonicContact CZ-OD2 3.64Å; R60-D62 VanDerWaalsContact NE-CG 3.35Å; R60-D62 IonicContact NE-OD1 2.68Å; R60-D62 PolarHBondContact NE-OD1 3.36Å; R60-D62 IonicContact NE-OD2 2.64Å; R60-D62 PolarHBondContact NE-OD2 2.78Å; R60-D62 IonicContact NH2-OD1 2.68Å; R60-D62 IonicContact NH2-OD2 3.89Å; R60-D62 PolarHBondContact NH2-OD2 3.06Å; D62-Y72 HydrophobicContact CB-CD1 4.23Å; D62-Y72 WeakPolarHBondContact OD1-CA 3.49Å
63L92.9Very high88.2Confident0 Ų057.8 Ų57.80%033%0.331CS..EExtended strand (participates in β ladder)trans-105.8126.9174.4-58.2-178.9000109L27 E50 I51 L61 F71 L73 L88L27-L63 HydrophobicContact CD2-CD1 3.41Å; L27-L63 VanDerWaalsContact CD2-CD1 3.41Å; E50-L63 WeakPolarHBondContact O-CA 3.44Å; I51-L63 HydrophobicContact CB-CD2 4.15Å; I51-L63 HydrophobicContact CG1-CD2 3.82Å; I51-L63 HydrophobicContact CG2-CD2 4.03Å; L61-L63 HydrophobicContact CD1-CD2 4.4Å; L61-L63 HydrophobicContact CD1-CG 4.45Å; L63-F71 HydrophobicContact CB-CB 4.12Å; L63-F71 PolarHBondContact N-O 3.04Å; L63-F71 PolarHBondContact O-N 3.15Å; L63-L73 HydrophobicContact CD1-CD1 3.87Å; L63-L73 HydrophobicContact CG-CD1 4.14Å; L63-L88 HydrophobicContact CD2-CD1 4.37Å
64I90Very high88.4Confident21 Ų2158.9 Ų58.911%0.10833%0.326CS..EExtended strand (participates in β ladder)trans-118.1125.2-175.5-56.1175.1000107.9C49 E50 Q52 Y70C49-I64 CarbonylContact C-O 3.51Å; C49-I64 VanDerWaalsContact CA-O 3.24Å; C49-I64 WeakPolarHBondContact CA-O 3.3Å; E50-I64 HydrophobicContact CB-CB 4.41Å; E50-I64 PolarHBondContact N-O 2.9Å; E50-I64 PolarHBondContact O-N 2.91Å; Q52-I64 HydrophobicContact CB-CD1 4.29Å; I64-Y70 HydrophobicContact CB-CD1 4.42Å; I64-Y70 HydrophobicContact CB-CE1 4.25Å; I64-Y70 HydrophobicContact CD1-CD1 4.36Å; I64-Y70 HydrophobicContact CD1-CE1 3.91Å; I64-Y70 HydrophobicContact CG1-CD1 3.81Å; I64-Y70 HydrophobicContact CG1-CE1 3.76Å; I64-Y70 HydrophobicContact CG2-CD1 4.16Å; I64-Y70 HydrophobicContact CG2-CE1 3.62Å
65I86.9Confident88.8Confident10 Ų1056 Ų565%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-101110.8163.8-50.2176.5000106.7I44 V48 C49 G67 E68 Q69I44-I65 HydrophobicContact CB-CD1 4.45Å; I44-I65 HydrophobicContact CD1-CD1 4.03Å; I44-I65 HydrophobicContact CD1-CG1 4.43Å; I44-I65 HydrophobicContact CG1-CD1 4Å; I44-I65 HydrophobicContact CG2-CD1 3.86Å; I44-I65 HydrophobicContact CG2-CG1 4.17Å; V48-I65 HydrophobicContact CG2-CG2 4.23Å; C49-I65 HydrophobicContact CB-CG1 4.27Å; I65-G67 PolarHBondContact O-N 3.42Å; I65-E68 HydrophobicContact CB-CB 4.06Å; I65-E68 HydrophobicContact CG2-CB 3.89Å; I65-E68 HydrophobicContact CG2-CG 4.09Å; I65-E68 PolarHBondContact O-N 2.98Å; I65-E68 VanDerWaalsContact O-N 3.08Å; I65-Q69 HydrophobicContact CD1-CB 4.47Å; I65-Q69 PolarHBondContact N-O 3.31Å; I65-Q69 PolarHBondContact O-N 3.14Å
66P79.8Confident89.2Confident79 Ų7955.2 Ų55.251%0.51330%0.299SS..THydrogen-bonded Turntrans-56.8121-177.6-26.435.6000111.8E50E50-P66 HydrophobicContact CG-CG 4.39Å
67G68.9Low89.5Confident89 Ų8953.2 Ų53.292%0.91828%0.28SS*.THydrogen-bonded Turntrans88.4-15-179.100000116.1I65I65-G67 PolarHBondContact O-N 3.42Å
68E76.7Confident89.6Confident138 Ų13854.1 Ų54.165%0.64529%0.292SS*.THydrogen-bonded Turntrans-113.9-75.6-174.9-66.7175.9-153.700113.6I65I65-E68 HydrophobicContact CB-CB 4.06Å; I65-E68 HydrophobicContact CG2-CB 3.89Å; I65-E68 HydrophobicContact CG2-CG 4.09Å; I65-E68 PolarHBondContact O-N 2.98Å; I65-E68 VanDerWaalsContact O-N 3.08Å
69Q79.1Confident89.8Confident103 Ų10353 Ų5348%0.48129%0.289SS..EExtended strand (participates in β ladder)trans-143.4146.4-162.4-65.3-169.112.400113.8I65I65-Q69 HydrophobicContact CD1-CB 4.47Å; I65-Q69 PolarHBondContact N-O 3.31Å; I65-Q69 PolarHBondContact O-N 3.14Å
70Y87.8Confident89.8Confident123 Ų12354.4 Ų54.448%0.48230%0.295SS..EExtended strand (participates in β ladder)trans-113.5118.8174.6-72.1-100000110.6I64 Y72I64-Y70 HydrophobicContact CB-CD1 4.42Å; I64-Y70 HydrophobicContact CB-CE1 4.25Å; I64-Y70 HydrophobicContact CD1-CD1 4.36Å; I64-Y70 HydrophobicContact CD1-CE1 3.91Å; I64-Y70 HydrophobicContact CG1-CD1 3.81Å; I64-Y70 HydrophobicContact CG1-CE1 3.76Å; I64-Y70 HydrophobicContact CG2-CD1 4.16Å; I64-Y70 HydrophobicContact CG2-CE1 3.62Å; Y70-Y72 HydrophobicContact CD1-CE1 4.1Å
71F91.4Very high89.9Confident7 Ų752.9 Ų52.93%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-105.689.9171.9-88.540.8000108.6K7 F20 Y29 I44 L63 L73K7-F71 HydrophobicContact CD-CD2 4.27Å; K7-F71 HydrophobicContact CD-CE2 4.29Å; F20-F71 HydrophobicContact CE1-CD2 4.35Å; F20-F71 HydrophobicContact CE1-CE2 4.48Å; Y29-F71 AromaticContact CD1-CE2 3.78Å; Y29-F71 HydrophobicContact CD1-CE2 3.78Å; Y29-F71 HydrophobicContact CD1-CZ 4.21Å; Y29-F71 AromaticContact CE1-CE2 3.71Å; Y29-F71 HydrophobicContact CE1-CE2 3.71Å; Y29-F71 AromaticContact CE1-CZ 3.69Å; Y29-F71 HydrophobicContact CE1-CZ 3.69Å; I44-F71 HydrophobicContact CD1-CB 4.16Å; I44-F71 HydrophobicContact CD1-CD1 3.69Å; I44-F71 HydrophobicContact CD1-CD2 3.55Å; I44-F71 HydrophobicContact CD1-CE1 3.84Å; I44-F71 HydrophobicContact CD1-CE2 3.7Å; I44-F71 HydrophobicContact CD1-CG 3.55Å; I44-F71 HydrophobicContact CD1-CZ 3.83Å; I44-F71 HydrophobicContact CG1-CD2 4.43Å; I44-F71 HydrophobicContact CG1-CE1 4.47Å; I44-F71 HydrophobicContact CG1-CE2 4.12Å; I44-F71 HydrophobicContact CG1-CZ 4.13Å; L63-F71 HydrophobicContact CB-CB 4.12Å; L63-F71 PolarHBondContact N-O 3.04Å; L63-F71 PolarHBondContact O-N 3.15Å; F71-L73 HydrophobicContact CB-CD2 4.4Å; F71-L73 HydrophobicContact CB-CG 4.38Å; F71-L73 PolarHBondContact O-N 3.15Å
72Y93.6Very high89.9Confident81 Ų8158 Ų5832%0.31831%0.313SS..EExtended strand (participates in β ladder)trans-71.4117.4168-46.8-70.1000108.8W8 W15 D62 Y70W8-Y72 HydrophobicContact CB-CD2 4.13Å; W8-Y72 HydrophobicContact CG-CD2 4.38Å; W8-Y72 PolarHBondContact N-O 3.03Å; W15-Y72 VanDerWaalsContact CZ3-O 3.3Å; W15-Y72 WeakPolarHBondContact CZ3-O 3.35Å; D62-Y72 HydrophobicContact CB-CD1 4.23Å; D62-Y72 WeakPolarHBondContact OD1-CA 3.49Å; Y70-Y72 HydrophobicContact CD1-CE1 4.1Å
73L95.5Very high90Very high0 Ų063 Ų630%034%0.335CS..EExtended strand (participates in β ladder)trans-123.2147.3-175.9-52.8175.3000111.4L5 Y6 K7 F20 R60 L61 L63 F71L5-L73 HydrophobicContact CD1-CB 4.39Å; L5-L73 HydrophobicContact CD1-CD1 4.04Å; Y6-L73 CarbonylContact O-C 3.55Å; Y6-L73 WeakPolarHBondContact O-CA 3.3Å; K7-L73 HydrophobicContact CB-CD2 3.89Å; K7-L73 HydrophobicContact CG-CD2 3.78Å; F20-L73 HydrophobicContact CE1-CD1 4.31Å; F20-L73 HydrophobicContact CE1-CD2 4.1Å; F20-L73 HydrophobicContact CE2-CD2 3.95Å; F20-L73 HydrophobicContact CZ-CD1 4.32Å; F20-L73 HydrophobicContact CZ-CD2 3.38Å; R60-L73 WeakPolarHBondContact CA-O 3.24Å; L61-L73 HydrophobicContact CD1-CB 4.21Å; L61-L73 HydrophobicContact CD1-CD1 4.1Å; L61-L73 HydrophobicContact CG-CB 4.24Å; L61-L73 PolarHBondContact N-O 3.41Å; L61-L73 CarbonylContact O-C 3.58Å; L61-L73 WeakPolarHBondContact O-CA 3.36Å; L61-L73 VanDerWaalsContact O-CB 3.24Å; L61-L73 WeakPolarHBondContact O-CB 3.34Å; L61-L73 PolarHBondContact O-N 2.87Å; L63-L73 HydrophobicContact CD1-CD1 3.87Å; L63-L73 HydrophobicContact CG-CD1 4.14Å; F71-L73 HydrophobicContact CB-CD2 4.4Å; F71-L73 HydrophobicContact CB-CG 4.38Å; F71-L73 PolarHBondContact O-N 3.15Å
74R95.6Very high90.1Very high102 Ų10263.2 Ų63.239%0.38534%0.335SS..EExtended strand (participates in β ladder)trans-138.2122.6178.1-167.1-178.6-169-168.24.6110.6Y6 W15 D57 T59Y6-R74 PolarHBondContact N-O 3.48Å; Y6-R74 PolarHBondContact O-N 3.46Å; W15-R74 HydrophobicContact CE3-CB 4.04Å; W15-R74 HydrophobicContact CH2-CB 4.11Å; W15-R74 HydrophobicContact CZ3-CB 3.72Å; D57-R74 IonicContact OD2-NE 3.95Å; D57-R74 IonicContact OD2-NH2 3.99Å; T59-R74 PolarHBondContact OG1-NE 2.8Å; T59-R74 PolarHBondContact OG1-NH2 2.81Å
75A96.3Very high90.3Very high3 Ų363.2 Ų63.23%0.02534%0.335CS..  trans-81.1160.417500000111.3L5 T59 N77 E80 R81L5-A75 HydrophobicContact CD2-CB 3.67Å; T59-A75 PolarHBondContact O-N 2.95Å; A75-N77 PolarHBondContact O-N 2.99Å; A75-E80 HydrophobicContact CB-CB 4.04Å; A75-R81 HydrophobicContact CB-CB 3.9Å
76I94.3Very high90.6Very high103 Ų10366.4 Ų66.453%0.52836%0.355SS..SBendtrans-63.4-25.4178.859169000113.5M4 Y6 E80M4-I76 HydrophobicContact CE-CG2 3.42Å; M4-I76 VanDerWaalsContact CE-CG2 3.42Å; Y6-I76 HydrophobicContact CE2-CG2 4.14Å; I76-E80 HydrophobicContact CD1-CG 3.84Å; I76-E80 HydrophobicContact CG1-CB 4.1Å; I76-E80 HydrophobicContact CG1-CG 3.57Å
77N93.9Very high91.3Very high62 Ų6263.8 Ų63.833%0.33234%0.34SS..SBendtrans-160.9176.7177.664.753.9000110.6A75 A79 E80 R81A75-N77 PolarHBondContact O-N 2.99Å; N77-A79 PolarHBondContact O-N 3.36Å; N77-A79 WeakPolarHBondContact OD1-CA 3.47Å; N77-A79 WeakPolarHBondContact OD1-CB 3.46Å; N77-A79 PolarHBondContact OD1-N 3.29Å; N77-E80 PolarHBondContact OD1-N 3.13Å; N77-R81 PolarHBondContact O-N 2.92Å; N77-R81 VanDerWaalsContact O-N 3.1Å
78A93.4Very high92.4Very high52 Ų5259.6 Ų59.643%0.4330%0.297SS..Hα-helixtrans-67.5-28.8-178.500000114.8P58 Q82P58-A78 HydrophobicContact CB-CB 4.21Å; P58-A78 WeakPolarHBondContact O-CA 3.45Å; P58-A78 VanDerWaalsContact O-CB 3.3Å; P58-A78 WeakPolarHBondContact O-CB 3.42Å; A78-Q82 WeakPolarHBondContact O-CB 3.47Å; A78-Q82 PolarHBondContact O-N 2.95Å
79A94Very high93.1Very high56 Ų5654.5 Ų54.546%0.46328%0.281SS..Hα-helixtrans-72.3-43.1177.900000111.4N77 Q82 K83N77-A79 PolarHBondContact O-N 3.36Å; N77-A79 WeakPolarHBondContact OD1-CA 3.47Å; N77-A79 WeakPolarHBondContact OD1-CB 3.46Å; N77-A79 PolarHBondContact OD1-N 3.29Å; A79-Q82 PolarHBondContact O-N 3.37Å; A79-K83 WeakPolarHBondContact O-CG 3.46Å; A79-K83 PolarHBondContact O-N 3.49Å
80E95Very high93.6Very high50 Ų5053.9 Ų53.923%0.23429%0.285CS..Hα-helixtrans-65.5-39.8173.9-63.2-42.3122.600111.8A75 I76 N77 Q82 K83 W84A75-E80 HydrophobicContact CB-CB 4.04Å; I76-E80 HydrophobicContact CD1-CG 3.84Å; I76-E80 HydrophobicContact CG1-CB 4.1Å; I76-E80 HydrophobicContact CG1-CG 3.57Å; N77-E80 PolarHBondContact OD1-N 3.13Å; E80-Q82 VanDerWaalsContact C-N 3.3Å; E80-Q82 PolarHBondContact O-N 3.29Å; E80-K83 VanDerWaalsContact CD-NZ 3.31Å; E80-K83 PolarHBondContact O-N 2.81Å; E80-K83 WeakPolarHBondContact OE1-CE 3.21Å; E80-K83 IonicContact OE1-NZ 2.67Å; E80-K83 PolarHBondContact OE1-NZ 3.39Å; E80-K83 VanDerWaalsContact OE2-CD 3.27Å; E80-K83 WeakPolarHBondContact OE2-CD 3.49Å; E80-K83 IonicContact OE2-NZ 3.15Å; E80-K83 PolarHBondContact OE2-NZ 3.45Å; E80-K83 VanDerWaalsContact OE2-NZ 3.15Å; E80-W84 VanDerWaalsContact O-CD1 3.26Å; E80-W84 PolarHBondContact O-N 2.96Å
81R95.1Very high93.6Very high28 Ų2849 Ų4911%0.10627%0.27CS..Hα-helixtrans-53.9-48.7170.1179.5-168.3-171.3-149.119.2111H54 D57 P58 R60 L61 A75 N77 W84 L85H54-R81 PolarHBondContact O-NH2 3.26Å; D57-R81 VanDerWaalsContact O-CZ 3.24Å; D57-R81 PolarHBondContact O-NH2 3.15Å; P58-R81 VanDerWaalsContact C-CD 3.5Å; P58-R81 WeakPolarHBondContact O-CD 3.46Å; R60-R81 PolarHBondContact O-NE 3.4Å; R60-R81 PolarHBondContact O-NH2 3.32Å; L61-R81 HydrophobicContact CD2-CG 3.96Å; A75-R81 HydrophobicContact CB-CB 3.9Å; N77-R81 PolarHBondContact O-N 2.92Å; N77-R81 VanDerWaalsContact O-N 3.1Å; R81-W84 PolarHBondContact O-N 3.45Å; R81-L85 HydrophobicContact CG-CD1 3.98Å; R81-L85 HydrophobicContact CG-CG 4.38Å; R81-L85 WeakPolarHBondContact O-CG 3.5Å; R81-L85 PolarHBondContact O-N 2.96Å
82Q94.5Very high93.5Very high107 Ų10751.6 Ų51.650%0.528%0.281SS..Hα-helixtrans-65.5-39.9-178.2-169.559.534.900112.2A78 A79 E80 L85 V86A78-Q82 WeakPolarHBondContact O-CB 3.47Å; A78-Q82 PolarHBondContact O-N 2.95Å; A79-Q82 PolarHBondContact O-N 3.37Å; E80-Q82 VanDerWaalsContact C-N 3.3Å; E80-Q82 PolarHBondContact O-N 3.29Å; Q82-L85 PolarHBondContact O-N 3.4Å; Q82-V86 VanDerWaalsContact O-CG2 3.31Å; Q82-V86 WeakPolarHBondContact O-CG2 3.5Å; Q82-V86 PolarHBondContact O-N 2.93Å
83K95.1Very high93Very high110 Ų11049.8 Ų49.848%0.47828%0.283SS..Hα-helixtrans-58.6-47.3173.1-70.8170.4-177.8173.60111.7M1 A79 E80 V86 A87M1-K83 HydrophobicContact CE-CB 3.88Å; A79-K83 WeakPolarHBondContact O-CG 3.46Å; A79-K83 PolarHBondContact O-N 3.49Å; E80-K83 VanDerWaalsContact CD-NZ 3.31Å; E80-K83 PolarHBondContact O-N 2.81Å; E80-K83 WeakPolarHBondContact OE1-CE 3.21Å; E80-K83 IonicContact OE1-NZ 2.67Å; E80-K83 PolarHBondContact OE1-NZ 3.39Å; E80-K83 VanDerWaalsContact OE2-CD 3.27Å; E80-K83 WeakPolarHBondContact OE2-CD 3.49Å; E80-K83 IonicContact OE2-NZ 3.15Å; E80-K83 PolarHBondContact OE2-NZ 3.45Å; E80-K83 VanDerWaalsContact OE2-NZ 3.15Å; K83-V86 PolarHBondContact O-N 3.14Å; K83-A87 WeakPolarHBondContact O-CB 3.3Å; K83-A87 PolarHBondContact O-N 2.95Å
84W95.7Very high92.3Very high4 Ų452.9 Ų52.92%0.01530%0.303CS..Hα-helixtrans-63.2-45.9177.6-83.6107.3000112M1 L5 F20 L22 L27 L61 E80 R81 V86 A87 L88M1-W84 HydrophobicContact CE-CB 4.48Å; M1-W84 HydrophobicContact CE-CD2 3.56Å; M1-W84 HydrophobicContact CE-CE3 4.14Å; M1-W84 HydrophobicContact CE-CG 3.7Å; M1-W84 HydrophobicContact CE-CZ2 4.17Å; M1-W84 HydrophobicContact CG-CH2 4.3Å; M1-W84 HydrophobicContact CG-CZ3 4.28Å; M1-W84 HydrophobicContact SD-CD2 3.97Å; M1-W84 HydrophobicContact SD-CE3 3.92Å; M1-W84 HydrophobicContact SD-CG 4.41Å; M1-W84 HydrophobicContact SD-CZ3 4.28Å; L5-W84 HydrophobicContact CD1-CD2 3.93Å; L5-W84 HydrophobicContact CD1-CE3 4.47Å; L5-W84 HydrophobicContact CD1-CG 4.11Å; L5-W84 HydrophobicContact CD1-CZ2 4.34Å; L5-W84 HydrophobicContact CD2-CG 4.24Å; L5-W84 HydrophobicContact CG-CD2 4.46Å; L5-W84 HydrophobicContact CG-CZ2 4.41Å; F20-W84 HydrophobicContact CB-CH2 3.62Å; F20-W84 HydrophobicContact CB-CZ2 3.9Å; F20-W84 HydrophobicContact CB-CZ3 4.44Å; L22-W84 HydrophobicContact CB-CZ3 4.02Å; L27-W84 HydrophobicContact CD1-CH2 4.21Å; L27-W84 HydrophobicContact CD1-CZ3 3.69Å; L61-W84 HydrophobicContact CD2-CB 4.05Å; E80-W84 VanDerWaalsContact O-CD1 3.26Å; E80-W84 PolarHBondContact O-N 2.96Å; R81-W84 PolarHBondContact O-N 3.45Å; W84-V86 VanDerWaalsContact C-N 3.33Å; W84-V86 PolarHBondContact O-N 3.43Å; W84-A87 PolarHBondContact O-N 3.03Å; W84-L88 HydrophobicContact CB-CD1 4.39Å; W84-L88 HydrophobicContact CE3-CD1 4.35Å; W84-L88 HydrophobicContact CE3-CG 4.4Å; W84-L88 VanDerWaalsContact O-CB 3.29Å; W84-L88 WeakPolarHBondContact O-CB 3.39Å; W84-L88 WeakPolarHBondContact O-CD1 3.42Å; W84-L88 WeakPolarHBondContact O-CG 3.13Å; W84-L88 PolarHBondContact O-N 3.22Å
85L93.9Very high91.4Very high20 Ų2050.8 Ų50.811%0.10530%0.3CS..Hα-helixtrans-58.9-42.2176.2-72.8175.5000112.4I51 V53 L61 R81 Q82 G89I51-L85 HydrophobicContact CG2-CD2 3.62Å; V53-L85 HydrophobicContact CG1-CD1 4.17Å; V53-L85 HydrophobicContact CG2-CD1 3.91Å; V53-L85 HydrophobicContact CG2-CD2 3.86Å; L61-L85 HydrophobicContact CB-CD2 3.92Å; L61-L85 HydrophobicContact CB-CG 4.47Å; L61-L85 HydrophobicContact CD2-CG 4.43Å; R81-L85 HydrophobicContact CG-CD1 3.98Å; R81-L85 HydrophobicContact CG-CG 4.38Å; R81-L85 WeakPolarHBondContact O-CG 3.5Å; R81-L85 PolarHBondContact O-N 2.96Å; Q82-L85 PolarHBondContact O-N 3.4Å; L85-G89 PolarHBondContact O-N 3.45Å
86V93.6Very high90.2Very high78 Ų7853.7 Ų53.747%0.47332%0.317SS..Hα-helixtrans-63.2-51.4175.1169.80000110.7Q82 K83 W84 L88 G89 T90Q82-V86 VanDerWaalsContact O-CG2 3.31Å; Q82-V86 WeakPolarHBondContact O-CG2 3.5Å; Q82-V86 PolarHBondContact O-N 2.93Å; K83-V86 PolarHBondContact O-N 3.14Å; W84-V86 VanDerWaalsContact C-N 3.33Å; W84-V86 PolarHBondContact O-N 3.43Å; V86-L88 PolarHBondContact O-N 3.46Å; V86-G89 PolarHBondContact O-N 2.84Å; V86-T90 WeakPolarHBondContact O-CB 3.5Å; V86-T90 PolarHBondContact O-N 3.49Å; V86-T90 PolarHBondContact O-OG1 2.82Å; V86-T90 VanDerWaalsContact O-OG1 3.08Å
87A93.2Very high89.1Confident24 Ų2453.7 Ų53.720%0.19832%0.319CS..Hα-helixtrans-64.2-40.7-177.200000113.1M1 L22 K83 W84 A91M1-A87 HydrophobicContact CB-CB 4.18Å; M1-A87 HydrophobicContact CG-CB 4.41Å; M1-A87 HydrophobicContact SD-CB 3.36Å; M1-A87 WeakPolarHBondContact SD-CB 3.08Å; L22-A87 HydrophobicContact CD2-CB 4Å; K83-A87 WeakPolarHBondContact O-CB 3.3Å; K83-A87 PolarHBondContact O-N 2.95Å; W84-A87 PolarHBondContact O-N 3.03Å; A87-A91 VanDerWaalsContact O-CB 3.29Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.21Å
88L93.7Very high87.8Confident0 Ų055.2 Ų55.20%033%0.327CS..Hα-helixtrans-66.5-42.4175.5-67.3162.9000111L22 L27 I46 I51 L61 L63 W84 V86 A91 K92L22-L88 HydrophobicContact CD1-CD2 4.34Å; L22-L88 HydrophobicContact CD2-CD2 3.91Å; L22-L88 HydrophobicContact CD2-CG 4.26Å; L27-L88 HydrophobicContact CD1-CD2 4.4Å; L27-L88 HydrophobicContact CD2-CD2 4.11Å; I46-L88 HydrophobicContact CD1-CD2 3.53Å; I46-L88 HydrophobicContact CG1-CD2 4.09Å; I46-L88 WeakPolarHBondContact CG2-O 3.43Å; I51-L88 HydrophobicContact CD1-CB 3.82Å; L61-L88 HydrophobicContact CD1-CD1 4.09Å; L63-L88 HydrophobicContact CD2-CD1 4.37Å; W84-L88 HydrophobicContact CB-CD1 4.39Å; W84-L88 HydrophobicContact CE3-CD1 4.35Å; W84-L88 HydrophobicContact CE3-CG 4.4Å; W84-L88 VanDerWaalsContact O-CB 3.29Å; W84-L88 WeakPolarHBondContact O-CB 3.39Å; W84-L88 WeakPolarHBondContact O-CD1 3.42Å; W84-L88 WeakPolarHBondContact O-CG 3.13Å; W84-L88 PolarHBondContact O-N 3.22Å; V86-L88 PolarHBondContact O-N 3.46Å; L88-A91 PolarHBondContact O-N 3.1Å; L88-K92 PolarHBondContact O-N 3.47Å
89G90.9Very high86.7Confident31 Ų3160.2 Ų60.232%0.3233%0.334SS..Hα-helixtrans-62.8-47.1175.100000113L85 V86 A91 K92 A93L85-G89 PolarHBondContact O-N 3.45Å; V86-G89 PolarHBondContact O-N 2.84Å; G89-A91 PolarHBondContact O-N 3.27Å; G89-K92 PolarHBondContact O-N 3.27Å; G89-A93 WeakPolarHBondContact O-CB 3.28Å; G89-A93 PolarHBondContact O-N 2.89Å
90T88.8Confident85.6Confident91 Ų9161 Ų6156%0.55833%0.334SS*.Hα-helixtrans-62.5-41.2175.7-60.90000111.8V86 A93 C94V86-T90 WeakPolarHBondContact O-CB 3.5Å; V86-T90 PolarHBondContact O-N 3.49Å; V86-T90 PolarHBondContact O-OG1 2.82Å; V86-T90 VanDerWaalsContact O-OG1 3.08Å; T90-A93 PolarHBondContact O-N 3.29Å; T90-C94 WeakPolarHBondContact O-CB 3.37Å; T90-C94 PolarHBondContact O-N 2.72Å
91A88.3Confident84.6Confident20 Ų2064.1 Ų64.117%0.16535%0.346CS..Hα-helixtrans-62.7-42.8174.400000111.7L22 I46 A87 L88 G89 L95L22-A91 HydrophobicContact CD1-CB 4.24Å; L22-A91 HydrophobicContact CD2-CB 4.17Å; I46-A91 HydrophobicContact CG2-CB 4.15Å; A87-A91 VanDerWaalsContact O-CB 3.29Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.21Å; L88-A91 PolarHBondContact O-N 3.1Å; G89-A91 PolarHBondContact O-N 3.27Å; A91-L95 VanDerWaalsContact O-CG 3.28Å; A91-L95 WeakPolarHBondContact O-CG 3.3Å; A91-L95 PolarHBondContact O-N 3.38Å
92K88.4Confident83.5Confident61 Ų6168.9 Ų68.927%0.26536%0.364SS..Hα-helixtrans-63.6-47176.9-165.5166.8-176.5176.10112I46 C49 I51 L88 G89 L95 T96I46-K92 HydrophobicContact CG2-CB 3.76Å; I46-K92 HydrophobicContact CG2-CG 4.45Å; I46-K92 WeakPolarHBondContact O-CG 3.36Å; C49-K92 PolarHBondContact O-NZ 3.24Å; I51-K92 HydrophobicContact CD1-CD 4.47Å; L88-K92 PolarHBondContact O-N 3.47Å; G89-K92 PolarHBondContact O-N 3.27Å; K92-L95 PolarHBondContact O-N 3.1Å; K92-T96 PolarHBondContact O-N 3.48Å; K92-T96 VanDerWaalsContact O-N 3.14Å; K92-T96 PolarHBondContact O-OG1 3.13Å
93A84Confident82.3Confident43 Ų4367.9 Ų67.936%0.35536%0.359SS..Hα-helixtrans-60.2-46.917900000112.1G89 T90 L95 T96 D97G89-A93 WeakPolarHBondContact O-CB 3.28Å; G89-A93 PolarHBondContact O-N 2.89Å; T90-A93 PolarHBondContact O-N 3.29Å; A93-L95 PolarHBondContact O-N 3.43Å; A93-T96 WeakPolarHBondContact CA-OG1 3.44Å; A93-T96 PolarHBondContact O-N 3.19Å; A93-T96 VanDerWaalsContact O-N 3.09Å; A93-T96 PolarHBondContact O-OG1 3.15Å; A93-D97 PolarHBondContact O-N 3.16Å
94C80.1Confident81.3Confident65 Ų6568.7 Ų68.744%0.43936%0.363SS..Hα-helixtrans-60.4-34.5178.3-171.60000112.5T90 N98T90-C94 WeakPolarHBondContact O-CB 3.37Å; T90-C94 PolarHBondContact O-N 2.72Å; C94-N98 WeakPolarHBondContact O-CB 3.44Å; C94-N98 PolarHBondContact O-N 3.14Å; C94-N98 VanDerWaalsContact O-N 3.1Å; C94-N98 PolarHBondContact O-ND2 2.94Å; C94-N98 PolarHBondContact SG-ND2 2.9Å
95L76.7Confident80.5Confident58 Ų5872.6 Ų72.630%0.30438%0.382SS..Hα-helixtrans-69.9-39.2175.1-66.9167.3000112.1A91 K92 A93 R99A91-L95 VanDerWaalsContact O-CG 3.28Å; A91-L95 WeakPolarHBondContact O-CG 3.3Å; A91-L95 PolarHBondContact O-N 3.38Å; K92-L95 PolarHBondContact O-N 3.1Å; A93-L95 PolarHBondContact O-N 3.43Å; L95-R99 WeakPolarHBondContact O-CB 3.33Å; L95-R99 PolarHBondContact O-N 3.07Å
96T71.6Confident79.5Confident65 Ų6575.8 Ų75.840%0.39940%0.398SS..Hα-helixtrans-69.3-36.9174.944.20000112.9K92 A93 R99 T100K92-T96 PolarHBondContact O-N 3.48Å; K92-T96 VanDerWaalsContact O-N 3.14Å; K92-T96 PolarHBondContact O-OG1 3.13Å; A93-T96 WeakPolarHBondContact CA-OG1 3.44Å; A93-T96 PolarHBondContact O-N 3.19Å; A93-T96 VanDerWaalsContact O-N 3.09Å; A93-T96 PolarHBondContact O-OG1 3.15Å; T96-R99 PolarHBondContact O-N 3.29Å; T96-T100 WeakPolarHBondContact O-CG2 3.28Å; T96-T100 PolarHBondContact O-N 2.87Å; T96-T100 PolarHBondContact O-OG1 3.23Å
97D70.3Confident78.8Confident103 Ų10377 Ų7755%0.55140%0.399SS*.Hα-helixtrans-66.4-43.9177.9-64-14.1000110.9A93 R99 T100 K101A93-D97 PolarHBondContact O-N 3.16Å; D97-R99 VanDerWaalsContact C-N 3.34Å; D97-R99 PolarHBondContact O-N 3.12Å; D97-T100 PolarHBondContact O-OG1 3.21Å; D97-K101 WeakPolarHBondContact O-CB 3.32Å; D97-K101 PolarHBondContact O-N 2.86Å
98N67.1Low78.2Confident94 Ų9481.1 Ų81.150%0.50341%0.414SS..Hα-helixtrans-65.8-35.2174.2-78-69.6000112.5C94 R102C94-N98 WeakPolarHBondContact O-CB 3.44Å; C94-N98 PolarHBondContact O-N 3.14Å; C94-N98 VanDerWaalsContact O-N 3.1Å; C94-N98 PolarHBondContact O-ND2 2.94Å; C94-N98 PolarHBondContact SG-ND2 2.9Å; N98-R102 WeakPolarHBondContact O-CB 3.47Å; N98-R102 PolarHBondContact O-N 2.79Å
99R70.6Confident77.5Confident156 Ų15683.6 Ų83.659%0.58943%0.427SS*.Hα-helixtrans-66.6-51.8176.9-152-16890.8-167.55.1111.5L95 T96 D97 K101 R102 E103L95-R99 WeakPolarHBondContact O-CB 3.33Å; L95-R99 PolarHBondContact O-N 3.07Å; T96-R99 PolarHBondContact O-N 3.29Å; D97-R99 VanDerWaalsContact C-N 3.34Å; D97-R99 PolarHBondContact O-N 3.12Å; R99-K101 VanDerWaalsContact C-N 3.33Å; R99-K101 PolarHBondContact O-N 3.4Å; R99-R102 PolarHBondContact O-N 3.36Å; R99-R102 VanDerWaalsContact O-N 3.16Å; R99-E103 IonicContact CZ-OE1 2.69Å; R99-E103 IonicContact NE-OE1 3.47Å; R99-E103 PolarHBondContact NE-OE1 3.33Å; R99-E103 IonicContact NH2-OE1 2.82Å; R99-E103 PolarHBondContact NH2-OE1 3.12Å; R99-E103 IonicContact NH2-OE2 2.81Å; R99-E103 WeakPolarHBondContact O-CB 3.4Å; R99-E103 VanDerWaalsContact O-CG 3.31Å; R99-E103 WeakPolarHBondContact O-CG 3.35Å; R99-E103 PolarHBondContact O-N 3.23Å
100T71.5Confident76.8Confident73 Ų7384.3 Ų84.345%0.44843%0.425SS..Hα-helixtrans-65.5-34.4179.353.20000112.6T96 D97 K104T96-T100 WeakPolarHBondContact O-CG2 3.28Å; T96-T100 PolarHBondContact O-N 2.87Å; T96-T100 PolarHBondContact O-OG1 3.23Å; D97-T100 PolarHBondContact O-OG1 3.21Å; T100-K104 WeakPolarHBondContact O-CB 3.48Å; T100-K104 PolarHBondContact O-N 3.44Å
101K73.2Confident76.4Confident116 Ų11683.6 Ų83.650%0.50442%0.416SS..Hα-helixtrans-60.4-50.1168.7-180-178.4168.1-174.80111.6D97 R99 E103 K104 E105D97-K101 WeakPolarHBondContact O-CB 3.32Å; D97-K101 PolarHBondContact O-N 2.86Å; R99-K101 VanDerWaalsContact C-N 3.33Å; R99-K101 PolarHBondContact O-N 3.4Å; K101-E103 PolarHBondContact O-N 3.35Å; K101-K104 PolarHBondContact O-N 3.3Å; K101-E105 VanDerWaalsContact CE-CD 3.5Å; K101-E105 WeakPolarHBondContact CE-OE1 3.33Å; K101-E105 HydrophobicContact CG-CG 4.44Å; K101-E105 IonicContact NZ-OE1 2.92Å; K101-E105 WeakPolarHBondContact O-CG 3.32Å; K101-E105 PolarHBondContact O-N 2.9Å
102R71.6Confident76Confident128 Ų12884.4 Ų84.448%0.48342%0.422SS..Hα-helixtrans-65-37.8180-173.5174175.1175.7-3.1112.2N98 R99 L106 D179N98-R102 WeakPolarHBondContact O-CB 3.47Å; N98-R102 PolarHBondContact O-N 2.79Å; R99-R102 PolarHBondContact O-N 3.36Å; R99-R102 VanDerWaalsContact O-N 3.16Å; R102-L106 VanDerWaalsContact O-CB 3.26Å; R102-L106 WeakPolarHBondContact O-CB 3.4Å; R102-L106 PolarHBondContact O-N 3.16Å; R102-D179 IonicContact CZ-OD1 3.55Å; R102-D179 VanDerWaalsContact CZ-OD1 3.3Å; R102-D179 IonicContact CZ-OD2 3.78Å; R102-D179 IonicContact NH1-OD1 2.66Å; R102-D179 PolarHBondContact NH1-OD1 2.9Å; R102-D179 IonicContact NH1-OD2 3.73Å; R102-D179 IonicContact NH2-OD1 3.76Å; R102-D179 PolarHBondContact NH2-OD1 2.93Å; R102-D179 IonicContact NH2-OD2 3.18Å; R102-D179 PolarHBondContact NH2-OD2 2.98Å
103E69.2Low75.4Confident85 Ų8583 Ų8340%0.39742%0.418SS..Hα-helixtrans-60.3-44.9171.9-73.6165.9176.500111.3R99 K101 L106 Q107R99-E103 IonicContact CZ-OE1 2.69Å; R99-E103 IonicContact NE-OE1 3.47Å; R99-E103 PolarHBondContact NE-OE1 3.33Å; R99-E103 IonicContact NH2-OE1 2.82Å; R99-E103 PolarHBondContact NH2-OE1 3.12Å; R99-E103 IonicContact NH2-OE2 2.81Å; R99-E103 WeakPolarHBondContact O-CB 3.4Å; R99-E103 VanDerWaalsContact O-CG 3.31Å; R99-E103 WeakPolarHBondContact O-CG 3.35Å; R99-E103 PolarHBondContact O-N 3.23Å; K101-E103 PolarHBondContact O-N 3.35Å; E103-L106 PolarHBondContact O-N 3.43Å; E103-Q107 WeakPolarHBondContact O-CB 3.37Å; E103-Q107 PolarHBondContact O-N 3.45Å
104K75.9Confident74.9Confident128 Ų12886.1 Ų86.156%0.55742%0.423SS*.Hα-helixtrans-66.1-46.3177-178.7176.4170.3179.80112.7T100 K101 L106 Q107 E108T100-K104 WeakPolarHBondContact O-CB 3.48Å; T100-K104 PolarHBondContact O-N 3.44Å; K101-K104 PolarHBondContact O-N 3.3Å; K104-L106 VanDerWaalsContact C-N 3.31Å; K104-L106 PolarHBondContact O-N 3.42Å; K104-Q107 PolarHBondContact O-N 2.83Å; K104-E108 WeakPolarHBondContact CE-OE1 3.24Å; K104-E108 HydrophobicContact CG-CG 4.43Å; K104-E108 IonicContact NZ-OE1 2.69Å; K104-E108 WeakPolarHBondContact O-CG 3.31Å; K104-E108 PolarHBondContact O-N 3Å
105E77.9Confident75Confident86 Ų8686.9 Ų86.940%0.40243%0.426SS..Hα-helixtrans-62.4-38.3177.6-73.1174.1162.200111.4K101 N109K101-E105 VanDerWaalsContact CE-CD 3.5Å; K101-E105 WeakPolarHBondContact CE-OE1 3.33Å; K101-E105 HydrophobicContact CG-CG 4.44Å; K101-E105 IonicContact NZ-OE1 2.92Å; K101-E105 WeakPolarHBondContact O-CG 3.32Å; K101-E105 PolarHBondContact O-N 2.9Å; E105-N109 WeakPolarHBondContact O-CB 3.29Å; E105-N109 PolarHBondContact O-N 3.27Å; E105-N109 PolarHBondContact O-ND2 3.11Å
106L73.6Confident75Confident86 Ų8686.1 Ų86.145%0.4542%0.42SS..Hα-helixtrans-63.4-43.1173176.258.4000112R102 E103 K104 T110 T175R102-L106 VanDerWaalsContact O-CB 3.26Å; R102-L106 WeakPolarHBondContact O-CB 3.4Å; R102-L106 PolarHBondContact O-N 3.16Å; E103-L106 PolarHBondContact O-N 3.43Å; K104-L106 VanDerWaalsContact C-N 3.31Å; K104-L106 PolarHBondContact O-N 3.42Å; L106-T110 WeakPolarHBondContact O-CB 3.36Å; L106-T110 PolarHBondContact O-N 3.49Å; L106-T110 PolarHBondContact O-OG1 2.9Å; L106-T175 HydrophobicContact CD1-CG2 3.52Å
107Q77.8Confident75Confident104 Ų10487.1 Ų87.149%0.48642%0.421SS..Hα-helixtrans-65.6-45.1177.6-176.655.743.100112E103 K104 T110 E111E103-Q107 WeakPolarHBondContact O-CB 3.37Å; E103-Q107 PolarHBondContact O-N 3.45Å; K104-Q107 PolarHBondContact O-N 2.83Å; Q107-T110 WeakPolarHBondContact O-CB 3.44Å; Q107-T110 PolarHBondContact O-N 2.69Å; Q107-E111 PolarHBondContact NE2-OE1 3.05Å; Q107-E111 PolarHBondContact O-N 2.64Å
108E81.7Confident75.2Confident111 Ų11184.9 Ų84.952%0.51941%0.414SS..Hα-helixtrans-63.5-43.5177.6-72.9177.716700112K104 T110 E111 A112K104-E108 WeakPolarHBondContact CE-OE1 3.24Å; K104-E108 HydrophobicContact CG-CG 4.43Å; K104-E108 IonicContact NZ-OE1 2.69Å; K104-E108 WeakPolarHBondContact O-CG 3.31Å; K104-E108 PolarHBondContact O-N 3Å; E108-T110 VanDerWaalsContact C-N 3.3Å; E108-T110 PolarHBondContact O-N 2.87Å; E108-E111 PolarHBondContact O-N 3.37Å; E108-A112 WeakPolarHBondContact O-CB 3.32Å; E108-A112 PolarHBondContact O-N 2.91Å
109N78.6Confident75.8Confident51 Ų5182.7 Ų82.727%0.27340%0.4SS..Hα-helixtrans-63-35.6173.6-76.1-54000112.5E105 A112 L113 I171 T175E105-N109 WeakPolarHBondContact O-CB 3.29Å; E105-N109 PolarHBondContact O-N 3.27Å; E105-N109 PolarHBondContact O-ND2 3.11Å; N109-A112 PolarHBondContact O-N 3.23Å; N109-L113 WeakPolarHBondContact O-CB 3.44Å; N109-L113 PolarHBondContact O-N 3.46Å; N109-I171 HydrophobicContact CB-CG2 4.34Å; N109-I171 WeakPolarHBondContact O-CG2 3.44Å; N109-T175 WeakPolarHBondContact CB-OG1 3.33Å
110T75.6Confident75.9Confident47 Ų4775.9 Ų75.929%0.28838%0.376SS..Hα-helixtrans-67.1-43.9178.5-61.60000112L106 Q107 E108 L113 K114L106-T110 WeakPolarHBondContact O-CB 3.36Å; L106-T110 PolarHBondContact O-N 3.49Å; L106-T110 PolarHBondContact O-OG1 2.9Å; Q107-T110 WeakPolarHBondContact O-CB 3.44Å; Q107-T110 PolarHBondContact O-N 2.69Å; E108-T110 VanDerWaalsContact C-N 3.3Å; E108-T110 PolarHBondContact O-N 2.87Å; T110-L113 PolarHBondContact O-N 3.38Å; T110-K114 HydrophobicContact CG2-CD 4.49Å; T110-K114 WeakPolarHBondContact O-CG 3.46Å; T110-K114 PolarHBondContact O-N 2.83Å
111E80.8Confident75.9Confident75 Ų7580.2 Ų80.235%0.3538%0.384SS..Hα-helixtrans-69.9-34.5175.6-58.8-44.112700112.5Q107 E108 K114 T115Q107-E111 PolarHBondContact NE2-OE1 3.05Å; Q107-E111 PolarHBondContact O-N 2.64Å; E108-E111 PolarHBondContact O-N 3.37Å; E111-K114 PolarHBondContact O-N 3.44Å; E111-K114 IonicContact OE1-NZ 3.88Å; E111-K114 PolarHBondContact OE1-NZ 3.36Å; E111-K114 WeakPolarHBondContact OE2-CD 3.17Å; E111-K114 IonicContact OE2-NZ 3.25Å; E111-K114 PolarHBondContact OE2-NZ 3.24Å; E111-T115 WeakPolarHBondContact O-CB 3.34Å; E111-T115 PolarHBondContact O-N 3.17Å; E111-T115 PolarHBondContact O-OG1 2.92Å
112A79.7Confident75.9Confident37 Ų3780.3 Ų80.331%0.30639%0.389SS..Hα-helixtrans-61.2-44.2171.200000111.7E108 N109 T115 K116 I171E108-A112 WeakPolarHBondContact O-CB 3.32Å; E108-A112 PolarHBondContact O-N 2.91Å; N109-A112 PolarHBondContact O-N 3.23Å; A112-T115 WeakPolarHBondContact O-CB 3.43Å; A112-T115 PolarHBondContact O-N 3.14Å; A112-K116 WeakPolarHBondContact O-CG 3.45Å; A112-K116 PolarHBondContact O-N 3.18Å; A112-I171 HydrophobicContact CB-CD1 4.23Å
113L76.1Confident76.1Confident32 Ų3277.3 Ų77.317%0.16838%0.378CS..Hα-helixtrans-65.8-41.2177.6-174.159.5000112.3N109 T110 T115 K116 M117 C168 I171N109-L113 WeakPolarHBondContact O-CB 3.44Å; N109-L113 PolarHBondContact O-N 3.46Å; T110-L113 PolarHBondContact O-N 3.38Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.04Å; L113-K116 PolarHBondContact O-N 2.94Å; L113-M117 HydrophobicContact CD1-CE 4.42Å; L113-M117 HydrophobicContact CD1-CG 4.43Å; L113-M117 WeakPolarHBondContact O-CB 3.42Å; L113-M117 VanDerWaalsContact O-CG 3.31Å; L113-M117 WeakPolarHBondContact O-CG 3.49Å; L113-M117 PolarHBondContact O-N 3.42Å; L113-C168 HydrophobicContact CD1-CB 3.95Å; L113-I171 HydrophobicContact CB-CG2 3.92Å; L113-I171 HydrophobicContact CD1-CB 4.48Å; L113-I171 HydrophobicContact CD1-CG2 4.48Å
114K73.8Confident76.1Confident108 Ų10875.9 Ų75.947%0.4738%0.377SS..Hα-helixtrans-59.5-42172.9-75.4164.2170.2177.30112.2T110 E111 S118T110-K114 HydrophobicContact CG2-CD 4.49Å; T110-K114 WeakPolarHBondContact O-CG 3.46Å; T110-K114 PolarHBondContact O-N 2.83Å; E111-K114 PolarHBondContact O-N 3.44Å; E111-K114 IonicContact OE1-NZ 3.88Å; E111-K114 PolarHBondContact OE1-NZ 3.36Å; E111-K114 WeakPolarHBondContact OE2-CD 3.17Å; E111-K114 IonicContact OE2-NZ 3.25Å; E111-K114 PolarHBondContact OE2-NZ 3.24Å; K114-S118 PolarHBondContact O-N 3.23Å; K114-S118 PolarHBondContact O-OG 2.96Å
115T81.3Confident75.9Confident81 Ų8173.7 Ų73.750%0.49737%0.372SS..Hα-helixtrans-62-49.8177-55.10000110.3E111 A112 L113 M117 S118 E119E111-T115 WeakPolarHBondContact O-CB 3.34Å; E111-T115 PolarHBondContact O-N 3.17Å; E111-T115 PolarHBondContact O-OG1 2.92Å; A112-T115 WeakPolarHBondContact O-CB 3.43Å; A112-T115 PolarHBondContact O-N 3.14Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.04Å; T115-M117 PolarHBondContact O-N 2.93Å; T115-S118 WeakPolarHBondContact O-CA 3.35Å; T115-S118 WeakPolarHBondContact O-CB 3.48Å; T115-S118 PolarHBondContact O-N 2.87Å; T115-E119 PolarHBondContact O-N 3.27Å
116K77.1Confident75.9Confident43 Ų4372.7 Ų72.719%0.18737%0.369CS..Hα-helixtrans-66.9-35179.6-68.7-76.6157.5-173.90113.6A112 L113 S118 E119 L120 T164 E167 C168 I171A112-K116 WeakPolarHBondContact O-CG 3.45Å; A112-K116 PolarHBondContact O-N 3.18Å; L113-K116 PolarHBondContact O-N 2.94Å; K116-S118 PolarHBondContact O-N 3.12Å; K116-E119 WeakPolarHBondContact CD-OE2 3.47Å; K116-E119 WeakPolarHBondContact CE-OE1 3.43Å; K116-E119 WeakPolarHBondContact CE-OE2 3.45Å; K116-E119 VanDerWaalsContact NZ-CD 3.26Å; K116-E119 IonicContact NZ-OE1 2.66Å; K116-E119 PolarHBondContact NZ-OE1 3.37Å; K116-E119 IonicContact NZ-OE2 3.54Å; K116-E119 PolarHBondContact NZ-OE2 3.29Å; K116-E119 PolarHBondContact O-N 3.36Å; K116-L120 WeakPolarHBondContact O-CG 3.44Å; K116-L120 PolarHBondContact O-N 3.18Å; K116-T164 HydrophobicContact CB-CG2 4.32Å; K116-T164 HydrophobicContact CD-CG2 3.82Å; K116-E167 HydrophobicContact CD-CB 4.27Å; K116-E167 VanDerWaalsContact CE-OE2 3.26Å; K116-E167 WeakPolarHBondContact CE-OE2 3.15Å; K116-E167 IonicContact NZ-OE2 2.66Å; K116-E167 PolarHBondContact NZ-OE2 3.2Å; K116-C168 WeakPolarHBondContact CB-SG 3.21Å; K116-I171 HydrophobicContact CG-CD1 4.04Å
117M71Confident76Confident86 Ų8669.9 Ų69.942%0.42435%0.354SS..Hα-helixtrans-65.4-25.9169.4-76.6-70.4-178.800113.1L113 T115 L120 R121 C168L113-M117 HydrophobicContact CD1-CE 4.42Å; L113-M117 HydrophobicContact CD1-CG 4.43Å; L113-M117 WeakPolarHBondContact O-CB 3.42Å; L113-M117 VanDerWaalsContact O-CG 3.31Å; L113-M117 WeakPolarHBondContact O-CG 3.49Å; L113-M117 PolarHBondContact O-N 3.42Å; T115-M117 PolarHBondContact O-N 2.93Å; M117-L120 HydrophobicContact SD-CD1 4.09Å; M117-R121 PolarHBondContact O-N 3.34Å; M117-C168 HydrophobicContact CE-CB 4.43Å
118S75.9Confident75.8Confident56 Ų5669.6 Ų69.639%0.39236%0.355SS..Hα-helixtrans-81-39.5175.6-54.80000111.6K114 T115 K116 L120 R121 L122K114-S118 PolarHBondContact O-N 3.23Å; K114-S118 PolarHBondContact O-OG 2.96Å; T115-S118 WeakPolarHBondContact O-CA 3.35Å; T115-S118 WeakPolarHBondContact O-CB 3.48Å; T115-S118 PolarHBondContact O-N 2.87Å; K116-S118 PolarHBondContact O-N 3.12Å; S118-L120 VanDerWaalsContact C-N 3.32Å; S118-L120 PolarHBondContact O-N 3.33Å; S118-R121 PolarHBondContact O-N 3.18Å; S118-L122 WeakPolarHBondContact O-CG 3.2Å; S118-L122 PolarHBondContact O-N 3.24Å
119E78.8Confident75.5Confident47 Ų4770.7 Ų70.722%0.2236%0.36CS..Hα-helixtrans-54.9-46.2166.5-70.9175.8-149.400111.5T115 K116 R121 L122 Y123 T164T115-E119 PolarHBondContact O-N 3.27Å; K116-E119 WeakPolarHBondContact CD-OE2 3.47Å; K116-E119 WeakPolarHBondContact CE-OE1 3.43Å; K116-E119 WeakPolarHBondContact CE-OE2 3.45Å; K116-E119 VanDerWaalsContact NZ-CD 3.26Å; K116-E119 IonicContact NZ-OE1 2.66Å; K116-E119 PolarHBondContact NZ-OE1 3.37Å; K116-E119 IonicContact NZ-OE2 3.54Å; K116-E119 PolarHBondContact NZ-OE2 3.29Å; K116-E119 PolarHBondContact O-N 3.36Å; E119-R121 VanDerWaalsContact C-N 3.33Å; E119-R121 PolarHBondContact O-N 3.34Å; E119-L122 PolarHBondContact O-N 3.13Å; E119-Y123 HydrophobicContact CB-CD2 4.37Å; E119-Y123 HydrophobicContact CB-CE2 3.93Å; E119-Y123 WeakPolarHBondContact O-CD2 3.19Å; E119-Y123 PolarHBondContact O-N 3.4Å; E119-T164 HydrophobicContact CB-CG2 3.78Å; E119-T164 WeakPolarHBondContact OE2-CG2 3.48Å
120L73.6Confident75.4Confident14 Ų1468.8 Ų68.87%0.07335%0.35CS..Hα-helixtrans-59.6-38.2178.1-79.1174.7000113.8K116 M117 S118 Y123 C124 F161 T164 L165 C168K116-L120 WeakPolarHBondContact O-CG 3.44Å; K116-L120 PolarHBondContact O-N 3.18Å; M117-L120 HydrophobicContact SD-CD1 4.09Å; S118-L120 VanDerWaalsContact C-N 3.32Å; S118-L120 PolarHBondContact O-N 3.33Å; L120-Y123 PolarHBondContact O-N 2.89Å; L120-C124 WeakPolarHBondContact O-CB 3.46Å; L120-C124 PolarHBondContact O-N 3.24Å; L120-F161 HydrophobicContact CB-CE2 4.47Å; L120-F161 HydrophobicContact CD2-CD2 3.71Å; L120-F161 HydrophobicContact CD2-CE2 3.72Å; L120-F161 HydrophobicContact CD2-CG 4.14Å; L120-F161 HydrophobicContact CD2-CZ 4.16Å; L120-F161 WeakPolarHBondContact CD2-O 3.32Å; L120-T164 HydrophobicContact CD2-CG2 4.04Å; L120-T164 HydrophobicContact CG-CG2 3.82Å; L120-L165 HydrophobicContact CD1-CB 4.49Å; L120-L165 HydrophobicContact CD1-CD1 4.01Å; L120-L165 HydrophobicContact CD2-CB 4.02Å; L120-C168 HydrophobicContact CD1-CB 4.34Å; L120-C168 VanDerWaalsContact CD1-SG 3.59Å
121R69.8Low75.3Confident163 Ų16369.4 Ų69.462%0.61535%0.354SS*.Hα-helixtrans-63.8-50.6174.6-72.8-178.7-177.3116-2110.7M117 S118 E119 Y123 C124 D125M117-R121 PolarHBondContact O-N 3.34Å; S118-R121 PolarHBondContact O-N 3.18Å; E119-R121 VanDerWaalsContact C-N 3.33Å; E119-R121 PolarHBondContact O-N 3.34Å; R121-Y123 VanDerWaalsContact C-N 3.26Å; R121-Y123 PolarHBondContact O-N 2.88Å; R121-C124 CarbonylContact O-C 3.49Å; R121-C124 WeakPolarHBondContact O-CA 3.4Å; R121-C124 WeakPolarHBondContact O-CB 3.44Å; R121-C124 PolarHBondContact O-N 3.35Å; R121-D125 VanDerWaalsContact O-CG 3.26Å; R121-D125 PolarHBondContact O-N 2.81Å
122L74.7Confident74.9Confident118 Ų11869.3 Ų69.362%0.61836%0.356SS*.Hα-helixtrans-57.9-37.7177.7-65.8171000112.5S118 E119 L126S118-L122 WeakPolarHBondContact O-CG 3.2Å; S118-L122 PolarHBondContact O-N 3.24Å; E119-L122 PolarHBondContact O-N 3.13Å; L122-L126 VanDerWaalsContact O-CB 3.26Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 PolarHBondContact O-N 3.04Å
123Y75.4Confident74.6Confident65 Ų6572.7 Ų72.726%0.25536%0.363SS..Hα-helixtrans-72.2-32.5173.8-63.7-42.7000113.2E119 L120 R121 L127 T160 T164E119-Y123 HydrophobicContact CB-CD2 4.37Å; E119-Y123 HydrophobicContact CB-CE2 3.93Å; E119-Y123 WeakPolarHBondContact O-CD2 3.19Å; E119-Y123 PolarHBondContact O-N 3.4Å; L120-Y123 PolarHBondContact O-N 2.89Å; R121-Y123 VanDerWaalsContact C-N 3.26Å; R121-Y123 PolarHBondContact O-N 2.88Å; Y123-L127 WeakPolarHBondContact O-CB 3.26Å; Y123-L127 VanDerWaalsContact O-CG 3.26Å; Y123-L127 WeakPolarHBondContact O-CG 3.41Å; Y123-L127 PolarHBondContact O-N 2.86Å; Y123-T160 HydrophobicContact CD1-CG2 4.43Å; Y123-T160 HydrophobicContact CD2-CG2 4.39Å; Y123-T160 HydrophobicContact CE1-CG2 3.84Å; Y123-T160 HydrophobicContact CE2-CG2 3.79Å; Y123-T160 VanDerWaalsContact CZ-CG2 3.49Å; Y123-T164 HydrophobicContact CE2-CG2 4.44Å; Y123-T164 WeakPolarHBondContact CE2-OG1 3.33Å
124C69.2Low74.3Confident56 Ų5674.5 Ų74.538%0.37837%0.373SS..Hα-helixtrans-67.1-46.1172.8-165.90000111.4L120 R121 L126 L127 L128 F161L120-C124 WeakPolarHBondContact O-CB 3.46Å; L120-C124 PolarHBondContact O-N 3.24Å; R121-C124 CarbonylContact O-C 3.49Å; R121-C124 WeakPolarHBondContact O-CA 3.4Å; R121-C124 WeakPolarHBondContact O-CB 3.44Å; R121-C124 PolarHBondContact O-N 3.35Å; C124-L126 VanDerWaalsContact C-N 3.33Å; C124-L126 PolarHBondContact O-N 3.12Å; C124-L127 PolarHBondContact O-N 3Å; C124-L128 WeakPolarHBondContact O-CG 3.16Å; C124-L128 PolarHBondContact O-N 3.21Å; C124-F161 HydrophobicContact CB-CE2 4.25Å
125D70.8Confident73.9Confident82 Ų8275.4 Ų75.444%0.43938%0.376SS..Hα-helixtrans-60.1-43.3175.7-61.7-34.1000111.1R121 L128 Q129R121-D125 VanDerWaalsContact O-CG 3.26Å; R121-D125 PolarHBondContact O-N 2.81Å; D125-L128 PolarHBondContact O-N 3.47Å; D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 3.29Å
126L77.9Confident73.1Confident64 Ų6477.7 Ų77.734%0.33538%0.381SS..Hα-helixtrans-64.8-39.6175.8-178.258.9000112.3L122 C124 Q129 Q130 T157L122-L126 VanDerWaalsContact O-CB 3.26Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 PolarHBondContact O-N 3.04Å; C124-L126 VanDerWaalsContact C-N 3.33Å; C124-L126 PolarHBondContact O-N 3.12Å; L126-Q129 PolarHBondContact O-N 3.4Å; L126-Q130 HydrophobicContact CD1-CG 4.21Å; L126-Q130 HydrophobicContact CG-CG 4.5Å; L126-Q130 WeakPolarHBondContact O-CB 3.39Å; L126-Q130 WeakPolarHBondContact O-CG 3.46Å; L126-Q130 PolarHBondContact O-N 3.46Å; L126-T157 HydrophobicContact CB-CG2 4.22Å; L126-T157 HydrophobicContact CD2-CG2 3.79Å; L126-T157 HydrophobicContact CG-CG2 3.93Å
127L76.6Confident72.3Confident28 Ų2879.2 Ų79.215%0.14739%0.392CS..Hα-helixtrans-63.8-42.6173.6-76.4171.2000111.8Y123 C124 Q130 V131 V154 T157 C158 F161Y123-L127 WeakPolarHBondContact O-CB 3.26Å; Y123-L127 VanDerWaalsContact O-CG 3.26Å; Y123-L127 WeakPolarHBondContact O-CG 3.41Å; Y123-L127 PolarHBondContact O-N 2.86Å; C124-L127 PolarHBondContact O-N 3Å; L127-Q130 PolarHBondContact O-N 3.05Å; L127-V131 WeakPolarHBondContact O-CB 3.07Å; L127-V131 VanDerWaalsContact O-CG2 3.27Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.11Å; L127-V154 HydrophobicContact CD2-CG1 4.24Å; L127-T157 HydrophobicContact CD2-CG2 3.75Å; L127-T157 HydrophobicContact CG-CG2 3.68Å; L127-C158 HydrophobicContact CD2-CB 4.5Å; L127-C158 WeakPolarHBondContact CD2-SG 3.38Å; L127-F161 HydrophobicContact CD1-CB 4.28Å; L127-F161 HydrophobicContact CD1-CG 4.35Å
128L72.9Confident71.7Confident98 Ų9882 Ų8251%0.51341%0.408SS..Hα-helixtrans-62.3-44.1176.2-71.5167.8000111.5C124 D125 V131 N132C124-L128 WeakPolarHBondContact O-CG 3.16Å; C124-L128 PolarHBondContact O-N 3.21Å; D125-L128 PolarHBondContact O-N 3.47Å; L128-V131 PolarHBondContact O-N 3.42Å; L128-N132 WeakPolarHBondContact O-CB 3.43Å; L128-N132 VanDerWaalsContact O-CG 3.24Å; L128-N132 PolarHBondContact O-N 3.42Å; L128-N132 PolarHBondContact O-ND2 3.26Å
129Q75.9Confident70.7Confident133 Ų13387.9 Ų87.962%0.62143%0.429SS*.Hα-helixtrans-61.4-45.9174.9-73.4177.37.400112.3D125 L126 N132 K133D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 3.29Å; L126-Q129 PolarHBondContact O-N 3.4Å; Q129-N132 PolarHBondContact O-N 3.28Å; Q129-K133 WeakPolarHBondContact O-CB 3.39Å; Q129-K133 PolarHBondContact O-N 3.1Å
130Q76Confident69.5Low11 Ų1192.6 Ų92.65%0.05146%0.455CS..Hα-helixtrans-67-39.6179.5-68.2168.1-6.300112.3L126 L127 K133 I134 M153 V154 T157L126-Q130 HydrophobicContact CD1-CG 4.21Å; L126-Q130 HydrophobicContact CG-CG 4.5Å; L126-Q130 WeakPolarHBondContact O-CB 3.39Å; L126-Q130 WeakPolarHBondContact O-CG 3.46Å; L126-Q130 PolarHBondContact O-N 3.46Å; L127-Q130 PolarHBondContact O-N 3.05Å; Q130-K133 PolarHBondContact O-N 3.37Å; Q130-I134 WeakPolarHBondContact O-CG1 3.5Å; Q130-I134 PolarHBondContact O-N 3.14Å; Q130-M153 HydrophobicContact CG-CE 3.95Å; Q130-M153 HydrophobicContact CG-SD 4.35Å; Q130-V154 HydrophobicContact CB-CG2 3.62Å; Q130-V154 HydrophobicContact CG-CG2 4.47Å; Q130-T157 PolarHBondContact NE2-OG1 3.23Å; Q130-T157 PolarHBondContact OE1-OG1 2.9Å
131V74.9Confident68.7Low61 Ų6195.4 Ų95.437%0.3749%0.488SS..Hα-helixtrans-66.8-38.91761670000111.6L127 L128 I134 K135L127-V131 WeakPolarHBondContact O-CB 3.07Å; L127-V131 VanDerWaalsContact O-CG2 3.27Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.11Å; L128-V131 PolarHBondContact O-N 3.42Å; V131-I134 PolarHBondContact O-N 2.63Å; V131-K135 PolarHBondContact O-N 2.65Å
132N72.1Confident67.9Low73 Ų7396.4 Ų96.439%0.3950%0.5SS..Hα-helixtrans-67.9-42.2175.5-70.8-15.1000111.5L128 Q129 I134 K135 E136L128-N132 WeakPolarHBondContact O-CB 3.43Å; L128-N132 VanDerWaalsContact O-CG 3.24Å; L128-N132 PolarHBondContact O-N 3.42Å; L128-N132 PolarHBondContact O-ND2 3.26Å; Q129-N132 PolarHBondContact O-N 3.28Å; N132-I134 VanDerWaalsContact C-N 3.25Å; N132-I134 PolarHBondContact O-N 3.01Å; N132-K135 WeakPolarHBondContact O-CB 3.45Å; N132-K135 PolarHBondContact O-N 2.96Å; N132-E136 WeakPolarHBondContact O-CG 3.16Å; N132-E136 PolarHBondContact O-N 3.38Å
133K73.4Confident66.9Low107 Ų10794.2 Ų94.247%0.46550%0.498SS..Hα-helixtrans-59.8-32.9173.9-172.1179.3179.5-173.40113.1Q129 Q130 N137Q129-K133 WeakPolarHBondContact O-CB 3.39Å; Q129-K133 PolarHBondContact O-N 3.1Å; Q130-K133 PolarHBondContact O-N 3.37Å; K133-N137 WeakPolarHBondContact O-CB 3.36Å; K133-N137 PolarHBondContact O-N 3.48Å; K133-N137 VanDerWaalsContact O-N 3.14Å
134I70.3Confident65.9Low71 Ų7197.3 Ų97.336%0.36452%0.524SS..Hα-helixtrans-64.6-44.3172.3-71.7167.3000110.8Q130 V131 N132 N137 D138 T150 V154Q130-I134 WeakPolarHBondContact O-CG1 3.5Å; Q130-I134 PolarHBondContact O-N 3.14Å; V131-I134 PolarHBondContact O-N 2.63Å; N132-I134 VanDerWaalsContact C-N 3.25Å; N132-I134 PolarHBondContact O-N 3.01Å; I134-N137 PolarHBondContact O-N 2.86Å; I134-D138 PolarHBondContact O-N 3.17Å; I134-D138 VanDerWaalsContact O-N 3.1Å; I134-T150 HydrophobicContact CD1-CG2 3.99Å; I134-T150 HydrophobicContact CG1-CG2 3.49Å; I134-T150 VanDerWaalsContact CG1-CG2 3.49Å; I134-V154 HydrophobicContact CD1-CG2 3.78Å
135K63.6Low65.1Low127 Ų127102.8 Ų102.855%0.55254%0.544SS*.Hα-helixtrans-64-44.1178.2-64.8170.6-176.5169.60112.2V131 N132 N137 D138 E139V131-K135 PolarHBondContact O-N 2.65Å; N132-K135 WeakPolarHBondContact O-CB 3.45Å; N132-K135 PolarHBondContact O-N 2.96Å; K135-N137 VanDerWaalsContact C-N 3.29Å; K135-N137 PolarHBondContact O-N 3.15Å; K135-D138 PolarHBondContact O-N 3.44Å; K135-D138 VanDerWaalsContact O-N 3.12Å; K135-E139 PolarHBondContact O-N 3.19Å
136E65.3Low64.3Low128 Ų128101 Ų10160%0.59854%0.54SS*.Hα-helixtrans-61.2-37.1177.5-69.6168.5179.100112N132N132-E136 WeakPolarHBondContact O-CG 3.16Å; N132-E136 PolarHBondContact O-N 3.38Å
137N60.6Low63.2Low76 Ų76100.3 Ų100.341%0.40655%0.549SS..Hα-helixtrans-72.3-28174.8-76.5-2.3000113.4K133 I134 K135 E139 L140K133-N137 WeakPolarHBondContact O-CB 3.36Å; K133-N137 PolarHBondContact O-N 3.48Å; K133-N137 VanDerWaalsContact O-N 3.14Å; I134-N137 PolarHBondContact O-N 2.86Å; K135-N137 VanDerWaalsContact C-N 3.29Å; K135-N137 PolarHBondContact O-N 3.15Å; N137-E139 VanDerWaalsContact C-N 3.34Å; N137-L140 CarbonylContact O-C 3.57Å; N137-L140 PolarHBondContact O-N 2.71Å
138D57.3Low62.3Low145 Ų145104.5 Ų104.578%0.77557%0.57SS**Hα-helixtrans-74.1-26.2180-151.643.2000111.8I134 K135I134-D138 PolarHBondContact O-N 3.17Å; I134-D138 VanDerWaalsContact O-N 3.1Å; K135-D138 PolarHBondContact O-N 3.44Å; K135-D138 VanDerWaalsContact O-N 3.12Å
139E55.9Low62Low178 Ų178105.2 Ų105.283%0.83258%0.575SS**Hα-helixtrans-76.6-20.2172.2-65.6-171.3162.800113.5K135 N137K135-E139 PolarHBondContact O-N 3.19Å; N137-E139 VanDerWaalsContact C-N 3.34Å
140L54.2Low61.4Low146 Ų14699.4 Ų99.476%0.76455%0.548SS*.SBendtrans-117.864.8-178-166.371.9000111.2N137 E142N137-L140 CarbonylContact O-C 3.57Å; N137-L140 PolarHBondContact O-N 2.71Å; L140-E142 PolarHBondContact O-N 2.77Å
141G56.8Low61Low73 Ų73100.7 Ų100.775%0.75356%0.564SS**  trans-64.284.5-164.500000117.7
142E51.9Low61Low185 Ų185101.9 Ų101.986%0.86457%0.572SS**  trans-133.1162.9159.6-73.4-158.7140.200112.4L140L140-E142 PolarHBondContact O-N 2.77Å
143A53.4Low61.2Low71 Ų71101.7 Ų101.759%0.58757%0.57SS**  trans64.188169.400000118.8E145 A146A143-E145 PolarHBondContact O-N 2.68Å; A143-E145 VanDerWaalsContact O-N 3.15Å; A143-A146 HydrophobicContact CB-CB 4.36Å; A143-A146 PolarHBondContact O-N 3.48Å; A143-A146 VanDerWaalsContact O-N 3.17Å
144V55.5Low61.5Low131 Ų13197.9 Ų97.979%0.79456%0.555SS**Hα-helixtrans-55.2-29.7171.6177.50000113.9
145E52.5Low61.6Low170 Ų170101.8 Ų101.879%0.79457%0.569SS**Hα-helixtrans-70.1-33.6179.7-63.6-167.3140.300113.1A143 G147 I148A143-E145 PolarHBondContact O-N 2.68Å; A143-E145 VanDerWaalsContact O-N 3.15Å; E145-G147 VanDerWaalsContact C-N 3.33Å; E145-G147 PolarHBondContact O-N 2.64Å; E145-I148 PolarHBondContact O-N 2.79Å
146A53.2Low62.4Low44 Ų4499.2 Ų99.236%0.36457%0.568SS.*Hα-helixtrans-68.7-30.7-177.200000113A143 T150A143-A146 HydrophobicContact CB-CB 4.36Å; A143-A146 PolarHBondContact O-N 3.48Å; A143-A146 VanDerWaalsContact O-N 3.17Å; A146-T150 WeakPolarHBondContact O-CB 3.44Å; A146-T150 PolarHBondContact O-N 2.68Å; A146-T150 VanDerWaalsContact O-N 3.09Å; A146-T150 PolarHBondContact O-OG1 2.8Å
147G55.4Low63Low51 Ų5193.7 Ų93.753%0.52654%0.543SS..Hα-helixtrans-66.9-33.8176.400000113.4E145 G151E145-G147 VanDerWaalsContact C-N 3.33Å; E145-G147 PolarHBondContact O-N 2.64Å; G147-G151 PolarHBondContact O-N 3.22Å
148I58.3Low63.6Low116 Ų11692.4 Ų92.460%0.59554%0.539SS*.Hα-helixtrans-70.9-43.9-178.7-60.2174.3000110.7E145 T152E145-I148 PolarHBondContact O-N 2.79Å; I148-T152 WeakPolarHBondContact O-CB 3.44Å; I148-T152 PolarHBondContact O-N 3.49Å; I148-T152 VanDerWaalsContact O-N 3.08Å; I148-T152 PolarHBondContact O-OG1 3.46Å
149D65.9Low64.2Low113 Ų11389.7 Ų89.760%0.60453%0.528SS*.Hα-helixtrans-64.7-48.2175-175.257.9000111.2G151 T152 M153D149-G151 PolarHBondContact O-N 2.94Å; D149-T152 WeakPolarHBondContact O-CA 3.4Å; D149-T152 WeakPolarHBondContact O-CB 3.48Å; D149-T152 PolarHBondContact O-N 3.24Å; D149-M153 PolarHBondContact O-N 3.39Å
150T64Low65.2Low10 Ų1083.5 Ų83.56%0.06150%0.502CS..Hα-helixtrans-62.4-40.1-179.4-49.90000112.3I134 A146 T152 M153 V154I134-T150 HydrophobicContact CD1-CG2 3.99Å; I134-T150 HydrophobicContact CG1-CG2 3.49Å; I134-T150 VanDerWaalsContact CG1-CG2 3.49Å; A146-T150 WeakPolarHBondContact O-CB 3.44Å; A146-T150 PolarHBondContact O-N 2.68Å; A146-T150 VanDerWaalsContact O-N 3.09Å; A146-T150 PolarHBondContact O-OG1 2.8Å; T150-T152 VanDerWaalsContact C-N 3.35Å; T150-M153 HydrophobicContact CG2-CE 3.94Å; T150-M153 PolarHBondContact O-N 2.95Å; T150-V154 PolarHBondContact O-N 2.98Å
151G67.5Low66.3Low38 Ų3879 Ų7939%0.39248%0.477SS..Hα-helixtrans-66.3-33.8173.400000113.5G147 D149 K155G147-G151 PolarHBondContact O-N 3.22Å; D149-G151 PolarHBondContact O-N 2.94Å; G151-K155 WeakPolarHBondContact O-CB 3.15Å; G151-K155 PolarHBondContact O-N 3.21Å; G151-K155 VanDerWaalsContact O-N 3.1Å
152T73.9Confident66.8Low87 Ų8780.8 Ų80.853%0.53447%0.468SS..Hα-helixtrans-69.2-39.6174.5-58.30000111.4I148 D149 T150 K155 S156I148-T152 WeakPolarHBondContact O-CB 3.44Å; I148-T152 PolarHBondContact O-N 3.49Å; I148-T152 VanDerWaalsContact O-N 3.08Å; I148-T152 PolarHBondContact O-OG1 3.46Å; D149-T152 WeakPolarHBondContact O-CA 3.4Å; D149-T152 WeakPolarHBondContact O-CB 3.48Å; D149-T152 PolarHBondContact O-N 3.24Å; T150-T152 VanDerWaalsContact C-N 3.35Å; T152-K155 PolarHBondContact O-N 2.96Å; T152-S156 PolarHBondContact O-N 2.8Å
153M75.4Confident68Low69 Ų6978.1 Ų78.134%0.3445%0.454SS..Hα-helixtrans-61.3-49.6173.8178.9179.652.800111.9Q130 D149 T150 K155 S156 T157Q130-M153 HydrophobicContact CG-CE 3.95Å; Q130-M153 HydrophobicContact CG-SD 4.35Å; D149-M153 PolarHBondContact O-N 3.39Å; T150-M153 HydrophobicContact CG2-CE 3.94Å; T150-M153 PolarHBondContact O-N 2.95Å; M153-K155 VanDerWaalsContact C-N 3.31Å; M153-K155 PolarHBondContact O-N 3.36Å; M153-S156 VanDerWaalsContact O-CB 3.3Å; M153-S156 WeakPolarHBondContact O-CB 3.29Å; M153-S156 PolarHBondContact O-N 3.21Å; M153-S156 VanDerWaalsContact O-N 3.07Å; M153-T157 PolarHBondContact O-N 3Å; M153-T157 PolarHBondContact O-OG1 3.44Å
154V80Confident68.9Low26 Ų2675 Ų7516%0.15843%0.428CS..Hα-helixtrans-58.1-43.6175.8169.90000111.5L127 Q130 I134 T150 S156 T157 C158L127-V154 HydrophobicContact CD2-CG1 4.24Å; Q130-V154 HydrophobicContact CB-CG2 3.62Å; Q130-V154 HydrophobicContact CG-CG2 4.47Å; I134-V154 HydrophobicContact CD1-CG2 3.78Å; T150-V154 PolarHBondContact O-N 2.98Å; V154-S156 VanDerWaalsContact C-N 3.26Å; V154-S156 PolarHBondContact O-N 3.5Å; V154-T157 PolarHBondContact O-N 2.84Å; V154-C158 WeakPolarHBondContact O-CB 3.32Å; V154-C158 PolarHBondContact O-N 3.1Å
155K73.6Confident69.4Low153 Ų15371.8 Ų71.867%0.66541%0.406SS*.Hα-helixtrans-59.3-38176.7-173.8176.9179.2179.90112.1G151 T152 M153 T159G151-K155 WeakPolarHBondContact O-CB 3.15Å; G151-K155 PolarHBondContact O-N 3.21Å; G151-K155 VanDerWaalsContact O-N 3.1Å; T152-K155 PolarHBondContact O-N 2.96Å; M153-K155 VanDerWaalsContact C-N 3.31Å; M153-K155 PolarHBondContact O-N 3.36Å; K155-T159 WeakPolarHBondContact O-CB 3.46Å; K155-T159 PolarHBondContact O-N 3.23Å; K155-T159 PolarHBondContact O-OG1 3.14Å
156S78.9Confident70Confident74 Ų7468.3 Ų68.352%0.51739%0.389SS..Hα-helixtrans-65.3-47.3175.1-166.40000112.2T152 M153 V154 T159 T160T152-S156 PolarHBondContact O-N 2.8Å; M153-S156 VanDerWaalsContact O-CB 3.3Å; M153-S156 WeakPolarHBondContact O-CB 3.29Å; M153-S156 PolarHBondContact O-N 3.21Å; M153-S156 VanDerWaalsContact O-N 3.07Å; V154-S156 VanDerWaalsContact C-N 3.26Å; V154-S156 PolarHBondContact O-N 3.5Å; S156-T159 PolarHBondContact O-N 3.24Å; S156-T160 PolarHBondContact O-N 3.33Å; S156-T160 PolarHBondContact O-OG1 3.22Å
157T78.3Confident71Confident12 Ų1268.6 Ų68.67%0.07438%0.383CS..Hα-helixtrans-65.7-41.8178.1-56.30000111.7L126 L127 Q130 M153 V154 T159 T160 F161L126-T157 HydrophobicContact CB-CG2 4.22Å; L126-T157 HydrophobicContact CD2-CG2 3.79Å; L126-T157 HydrophobicContact CG-CG2 3.93Å; L127-T157 HydrophobicContact CD2-CG2 3.75Å; L127-T157 HydrophobicContact CG-CG2 3.68Å; Q130-T157 PolarHBondContact NE2-OG1 3.23Å; Q130-T157 PolarHBondContact OE1-OG1 2.9Å; M153-T157 PolarHBondContact O-N 3Å; M153-T157 PolarHBondContact O-OG1 3.44Å; V154-T157 PolarHBondContact O-N 2.84Å; T157-T159 VanDerWaalsContact C-N 3.34Å; T157-T159 PolarHBondContact O-N 3.12Å; T157-T160 PolarHBondContact O-N 3.3Å; T157-F161 WeakPolarHBondContact O-CB 3.34Å; T157-F161 PolarHBondContact O-N 2.61Å
158C73Confident71.6Confident48 Ų4866.3 Ų66.332%0.32436%0.359SS..Hα-helixtrans-58.3-43.6172.8-790000112.4L127 V154 T160 F161 L162L127-C158 HydrophobicContact CD2-CB 4.5Å; L127-C158 WeakPolarHBondContact CD2-SG 3.38Å; V154-C158 WeakPolarHBondContact O-CB 3.32Å; V154-C158 PolarHBondContact O-N 3.1Å; C158-T160 VanDerWaalsContact C-N 3.29Å; C158-T160 PolarHBondContact O-N 2.98Å; C158-F161 PolarHBondContact O-N 2.86Å; C158-L162 WeakPolarHBondContact O-CB 3.16Å; C158-L162 VanDerWaalsContact O-CG 3.31Å; C158-L162 WeakPolarHBondContact O-CG 3.33Å; C158-L162 PolarHBondContact O-N 3.3Å
159T71.1Confident72Confident88 Ų8865.7 Ų65.754%0.5436%0.355SS..Hα-helixtrans-63.9-37.7178.1-55.90000111.3K155 S156 T157 K163K155-T159 WeakPolarHBondContact O-CB 3.46Å; K155-T159 PolarHBondContact O-N 3.23Å; K155-T159 PolarHBondContact O-OG1 3.14Å; S156-T159 PolarHBondContact O-N 3.24Å; T157-T159 VanDerWaalsContact C-N 3.34Å; T157-T159 PolarHBondContact O-N 3.12Å; T159-K163 PolarHBondContact O-N 3.49Å; T159-K163 VanDerWaalsContact O-N 3.15Å
160T77.1Confident72.2Confident48 Ų4864 Ų6429%0.29434%0.344SS..Hα-helixtrans-71-45.8178.1-50.60000111.4Y123 S156 T157 C158 L162 K163 T164Y123-T160 HydrophobicContact CD1-CG2 4.43Å; Y123-T160 HydrophobicContact CD2-CG2 4.39Å; Y123-T160 HydrophobicContact CE1-CG2 3.84Å; Y123-T160 HydrophobicContact CE2-CG2 3.79Å; Y123-T160 VanDerWaalsContact CZ-CG2 3.49Å; S156-T160 PolarHBondContact O-N 3.33Å; S156-T160 PolarHBondContact O-OG1 3.22Å; T157-T160 PolarHBondContact O-N 3.3Å; C158-T160 VanDerWaalsContact C-N 3.29Å; C158-T160 PolarHBondContact O-N 2.98Å; T160-L162 PolarHBondContact O-N 2.89Å; T160-K163 PolarHBondContact O-N 2.87Å; T160-T164 PolarHBondContact O-N 3.28Å; T160-T164 PolarHBondContact O-OG1 3.06Å
161F77.5Confident72.7Confident53 Ų5364.7 Ų64.723%0.23235%0.346CS..Hα-helixtrans-54.6-49.3173.7177.1-87.7000112L120 C124 L127 T157 C158 K163 T164 L165L120-F161 HydrophobicContact CB-CE2 4.47Å; L120-F161 HydrophobicContact CD2-CD2 3.71Å; L120-F161 HydrophobicContact CD2-CE2 3.72Å; L120-F161 HydrophobicContact CD2-CG 4.14Å; L120-F161 HydrophobicContact CD2-CZ 4.16Å; L120-F161 WeakPolarHBondContact CD2-O 3.32Å; C124-F161 HydrophobicContact CB-CE2 4.25Å; L127-F161 HydrophobicContact CD1-CB 4.28Å; L127-F161 HydrophobicContact CD1-CG 4.35Å; T157-F161 WeakPolarHBondContact O-CB 3.34Å; T157-F161 PolarHBondContact O-N 2.61Å; C158-F161 PolarHBondContact O-N 2.86Å; F161-K163 VanDerWaalsContact C-N 3.32Å; F161-K163 PolarHBondContact O-N 3.49Å; F161-T164 PolarHBondContact O-N 3.48Å; F161-L165 HydrophobicContact CE1-CD2 4.26Å; F161-L165 WeakPolarHBondContact O-CB 3.45Å; F161-L165 PolarHBondContact O-N 2.62Å
162L66.8Low72.5Confident110 Ų11064.1 Ų64.158%0.57634%0.338SS*.Hα-helixtrans-62.3-38.1178.9-71.7170.6000112.2C158 T160 L165 E166C158-L162 WeakPolarHBondContact O-CB 3.16Å; C158-L162 VanDerWaalsContact O-CG 3.31Å; C158-L162 WeakPolarHBondContact O-CG 3.33Å; C158-L162 PolarHBondContact O-N 3.3Å; T160-L162 PolarHBondContact O-N 2.89Å; L162-L165 PolarHBondContact O-N 3.46Å; L162-E166 PolarHBondContact O-N 2.89Å
163K75.9Confident72.1Confident129 Ų12964.5 Ų64.556%0.56134%0.337SS*.Hα-helixtrans-65.1-44.6175.1-175.7176.8-178.8-77.90112T159 T160 F161 L165 E166 E167T159-K163 PolarHBondContact O-N 3.49Å; T159-K163 VanDerWaalsContact O-N 3.15Å; T160-K163 PolarHBondContact O-N 2.87Å; F161-K163 VanDerWaalsContact C-N 3.32Å; F161-K163 PolarHBondContact O-N 3.49Å; K163-L165 VanDerWaalsContact C-N 3.29Å; K163-L165 PolarHBondContact O-N 2.63Å; K163-E166 PolarHBondContact O-N 3.21Å; K163-E167 IonicContact NZ-OE1 3.61Å; K163-E167 PolarHBondContact NZ-OE1 3.07Å; K163-E167 WeakPolarHBondContact O-CG 3.43Å; K163-E167 PolarHBondContact O-N 2.91Å
164T73Confident72Confident6 Ų668.8 Ų68.84%0.03735%0.349CS..Hα-helixtrans-67.9-30.3177.1-57.60000111.9K116 E119 L120 Y123 T160 F161 E167 C168K116-T164 HydrophobicContact CB-CG2 4.32Å; K116-T164 HydrophobicContact CD-CG2 3.82Å; E119-T164 HydrophobicContact CB-CG2 3.78Å; E119-T164 WeakPolarHBondContact OE2-CG2 3.48Å; L120-T164 HydrophobicContact CD2-CG2 4.04Å; L120-T164 HydrophobicContact CG-CG2 3.82Å; Y123-T164 HydrophobicContact CE2-CG2 4.44Å; Y123-T164 WeakPolarHBondContact CE2-OG1 3.33Å; T160-T164 PolarHBondContact O-N 3.28Å; T160-T164 PolarHBondContact O-OG1 3.06Å; F161-T164 PolarHBondContact O-N 3.48Å; T164-E167 PolarHBondContact O-N 3Å; T164-C168 PolarHBondContact O-N 3.37Å
165L66.4Low71.6Confident63 Ų6368.5 Ų68.533%0.3335%0.347SS..Hα-helixtrans-68.5-43174.5-177.161.1000111.7L120 F161 L162 K163 C168 M169L120-L165 HydrophobicContact CD1-CB 4.49Å; L120-L165 HydrophobicContact CD1-CD1 4.01Å; L120-L165 HydrophobicContact CD2-CB 4.02Å; F161-L165 HydrophobicContact CE1-CD2 4.26Å; F161-L165 WeakPolarHBondContact O-CB 3.45Å; F161-L165 PolarHBondContact O-N 2.62Å; L162-L165 PolarHBondContact O-N 3.46Å; K163-L165 VanDerWaalsContact C-N 3.29Å; K163-L165 PolarHBondContact O-N 2.63Å; L165-C168 WeakPolarHBondContact O-CB 3.26Å; L165-C168 PolarHBondContact O-N 3.44Å; L165-M169 WeakPolarHBondContact O-CG 3.45Å; L165-M169 PolarHBondContact O-N 2.88Å
166E64.8Low71.2Confident96 Ų9668.2 Ų68.245%0.44935%0.346SS..Hα-helixtrans-61.1-42.8171.6179.159.2-145.300111.2L162 K163 C168 M169 Q170L162-E166 PolarHBondContact O-N 2.89Å; K163-E166 PolarHBondContact O-N 3.21Å; E166-C168 PolarHBondContact O-N 3.09Å; E166-M169 PolarHBondContact O-N 3.36Å; E166-Q170 WeakPolarHBondContact O-CG 3.37Å; E166-Q170 PolarHBondContact O-N 3.44Å; E166-Q170 WeakPolarHBondContact OE1-CG 3.35Å; E166-Q170 PolarHBondContact OE1-NE2 3.46Å
167E74Confident70.2Confident51 Ų5169 Ų6924%0.23835%0.348CS..Hα-helixtrans-59.8-43173.2-73.2171.9-164.900112.1K116 K163 T164 Q170 I171K116-E167 HydrophobicContact CD-CB 4.27Å; K116-E167 VanDerWaalsContact CE-OE2 3.26Å; K116-E167 WeakPolarHBondContact CE-OE2 3.15Å; K116-E167 IonicContact NZ-OE2 2.66Å; K116-E167 PolarHBondContact NZ-OE2 3.2Å; K163-E167 IonicContact NZ-OE1 3.61Å; K163-E167 PolarHBondContact NZ-OE1 3.07Å; K163-E167 WeakPolarHBondContact O-CG 3.43Å; K163-E167 PolarHBondContact O-N 2.91Å; T164-E167 PolarHBondContact O-N 3Å; E167-Q170 PolarHBondContact O-N 2.91Å; E167-I171 WeakPolarHBondContact O-CD1 3.43Å; E167-I171 VanDerWaalsContact O-CG1 3.28Å; E167-I171 WeakPolarHBondContact O-CG1 3.28Å; E167-I171 PolarHBondContact O-N 3.33Å
168C68.4Low68.7Low3 Ų372.8 Ų72.82%0.0237%0.371CS..Hα-helixtrans-58.4-47.2171.6-82.20000112.5L113 K116 M117 L120 T164 L165 E166 Q170 I171 A172L113-C168 HydrophobicContact CD1-CB 3.95Å; K116-C168 WeakPolarHBondContact CB-SG 3.21Å; M117-C168 HydrophobicContact CE-CB 4.43Å; L120-C168 HydrophobicContact CD1-CB 4.34Å; L120-C168 VanDerWaalsContact CD1-SG 3.59Å; T164-C168 PolarHBondContact O-N 3.37Å; L165-C168 WeakPolarHBondContact O-CB 3.26Å; L165-C168 PolarHBondContact O-N 3.44Å; E166-C168 PolarHBondContact O-N 3.09Å; C168-Q170 PolarHBondContact O-N 3.41Å; C168-I171 PolarHBondContact O-N 3.23Å; C168-A172 WeakPolarHBondContact O-CB 3.49Å; C168-A172 PolarHBondContact O-N 3.08Å
169M66.4Low67.4Low102 Ų10275.8 Ų75.850%0.50238%0.384SS..Hα-helixtrans-64.7-38.5-179.8-72.9179.962.700111.9L165 E166 A172 N173L165-M169 WeakPolarHBondContact O-CG 3.45Å; L165-M169 PolarHBondContact O-N 2.88Å; E166-M169 PolarHBondContact O-N 3.36Å; M169-A172 PolarHBondContact O-N 3.37Å; M169-N173 WeakPolarHBondContact O-CB 3.03Å; M169-N173 VanDerWaalsContact O-CG 3.28Å; M169-N173 PolarHBondContact O-N 3.06Å; M169-N173 PolarHBondContact O-ND2 2.9Å
170Q70.4Confident66Low79 Ų7980 Ų8037%0.36940%0.402SS..Hα-helixtrans-67.8-39.8175.5-70.5-177.624.600112.8E166 E167 C168 R174E166-Q170 WeakPolarHBondContact O-CG 3.37Å; E166-Q170 PolarHBondContact O-N 3.44Å; E166-Q170 WeakPolarHBondContact OE1-CG 3.35Å; E166-Q170 PolarHBondContact OE1-NE2 3.46Å; E167-Q170 PolarHBondContact O-N 2.91Å; C168-Q170 PolarHBondContact O-N 3.41Å; Q170-R174 VanDerWaalsContact O-CG 3.31Å; Q170-R174 WeakPolarHBondContact O-CG 3.2Å; Q170-R174 PolarHBondContact O-N 3.37Å; Q170-R174 VanDerWaalsContact O-N 3.1Å
171I73.8Confident64.2Low23 Ų2380.4 Ų80.412%0.11842%0.417CS..Hα-helixtrans-65.3-46.7174.5-65.5162.9000110N109 A112 L113 K116 E167 C168 N173 R174 T175N109-I171 HydrophobicContact CB-CG2 4.34Å; N109-I171 WeakPolarHBondContact O-CG2 3.44Å; A112-I171 HydrophobicContact CB-CD1 4.23Å; L113-I171 HydrophobicContact CB-CG2 3.92Å; L113-I171 HydrophobicContact CD1-CB 4.48Å; L113-I171 HydrophobicContact CD1-CG2 4.48Å; K116-I171 HydrophobicContact CG-CD1 4.04Å; E167-I171 WeakPolarHBondContact O-CD1 3.43Å; E167-I171 VanDerWaalsContact O-CG1 3.28Å; E167-I171 WeakPolarHBondContact O-CG1 3.28Å; E167-I171 PolarHBondContact O-N 3.33Å; C168-I171 PolarHBondContact O-N 3.23Å; I171-N173 PolarHBondContact O-N 3.25Å; I171-R174 PolarHBondContact O-N 2.94Å; I171-T175 WeakPolarHBondContact O-CB 3.27Å; I171-T175 PolarHBondContact O-N 3.32Å; I171-T175 PolarHBondContact O-OG1 3.44Å
172A64.9Low62.1Low26 Ų2684 Ų8422%0.21544%0.443CS..Hα-helixtrans-58-48.5177.400000111.9C168 M169 R174 T175 F176C168-A172 WeakPolarHBondContact O-CB 3.49Å; C168-A172 PolarHBondContact O-N 3.08Å; M169-A172 PolarHBondContact O-N 3.37Å; A172-R174 VanDerWaalsContact C-N 3.35Å; A172-R174 PolarHBondContact O-N 3.44Å; A172-T175 WeakPolarHBondContact O-CB 3.37Å; A172-T175 PolarHBondContact O-N 3.46Å; A172-F176 HydrophobicContact CB-CD2 4.2Å; A172-F176 HydrophobicContact CB-CE2 4.28Å; A172-F176 WeakPolarHBondContact O-CD2 3.18Å; A172-F176 PolarHBondContact O-N 2.89Å
173N64.8Low60.5Low95 Ų9587.2 Ų87.251%0.50846%0.455SS..Hα-helixtrans-60.3-40.2177.4-75.7-29.8000112.7M169 I171 T175 T177M169-N173 WeakPolarHBondContact O-CB 3.03Å; M169-N173 VanDerWaalsContact O-CG 3.28Å; M169-N173 PolarHBondContact O-N 3.06Å; M169-N173 PolarHBondContact O-ND2 2.9Å; I171-N173 PolarHBondContact O-N 3.25Å; N173-T175 VanDerWaalsContact C-N 3.3Å; N173-T175 PolarHBondContact O-N 3.03Å; N173-T177 WeakPolarHBondContact O-CB 3.4Å; N173-T177 PolarHBondContact O-N 3.47Å; N173-T177 PolarHBondContact O-OG1 3.47Å
174R72.9Confident58.3Low159 Ų15986.6 Ų86.660%0.647%0.467SS*.Hα-helixtrans-67.7-30.6174.5-70.3173.5-170.1165.19.6113Q170 I171 A172 T178Q170-R174 VanDerWaalsContact O-CG 3.31Å; Q170-R174 WeakPolarHBondContact O-CG 3.2Å; Q170-R174 PolarHBondContact O-N 3.37Å; Q170-R174 VanDerWaalsContact O-N 3.1Å; I171-R174 PolarHBondContact O-N 2.94Å; A172-R174 VanDerWaalsContact C-N 3.35Å; A172-R174 PolarHBondContact O-N 3.44Å; R174-T178 PolarHBondContact O-OG1 3Å
175T71.6Confident56.5Low20 Ų2091.9 Ų91.912%0.12350%0.501CS..Hα-helixtrans-76.2-39.3-179.5-51.80000111.9L106 N109 I171 A172 N173L106-T175 HydrophobicContact CD1-CG2 3.52Å; N109-T175 WeakPolarHBondContact CB-OG1 3.33Å; I171-T175 WeakPolarHBondContact O-CB 3.27Å; I171-T175 PolarHBondContact O-N 3.32Å; I171-T175 PolarHBondContact O-OG1 3.44Å; A172-T175 WeakPolarHBondContact O-CB 3.37Å; A172-T175 PolarHBondContact O-N 3.46Å; N173-T175 VanDerWaalsContact C-N 3.3Å; N173-T175 PolarHBondContact O-N 3.03Å
176F65.7Low54.9Low147 Ų14795.1 Ų95.165%0.64553%0.526SS*.Hα-helixtrans-112.1-14.2-167-56.2-58.8000115.8A172A172-F176 HydrophobicContact CB-CD2 4.2Å; A172-F176 HydrophobicContact CB-CE2 4.28Å; A172-F176 WeakPolarHBondContact O-CD2 3.18Å; A172-F176 PolarHBondContact O-N 2.89Å
177T56.7Low53.3Low91 Ų9194 Ų9456%0.55854%0.54SS*.SBendtrans-96.8-0.7-175.4-48.20000113.8N173 D179N173-T177 WeakPolarHBondContact O-CB 3.4Å; N173-T177 PolarHBondContact O-N 3.47Å; N173-T177 PolarHBondContact O-OG1 3.47Å; T177-D179 VanDerWaalsContact C-N 3.33Å; T177-D179 PolarHBondContact O-N 3.07Å
178T46.9Very low51.4Low91 Ų9198.1 Ų98.156%0.55857%0.569SS**THydrogen-bonded Turntrans-79.3-2.2-165.2-57.20000115.3R174R174-T178 PolarHBondContact O-OG1 3Å
179D46.3Very low49.8Very low111 Ų111103.2 Ų103.259%0.59460%0.602SS**THydrogen-bonded Turntrans-95.33.2-178.7-75.9-54.4000116.2R102 T177R102-D179 IonicContact CZ-OD1 3.55Å; R102-D179 VanDerWaalsContact CZ-OD1 3.3Å; R102-D179 IonicContact CZ-OD2 3.78Å; R102-D179 IonicContact NH1-OD1 2.66Å; R102-D179 PolarHBondContact NH1-OD1 2.9Å; R102-D179 IonicContact NH1-OD2 3.73Å; R102-D179 IonicContact NH2-OD1 3.76Å; R102-D179 PolarHBondContact NH2-OD1 2.93Å; R102-D179 IonicContact NH2-OD2 3.18Å; R102-D179 PolarHBondContact NH2-OD2 2.98Å; T177-D179 VanDerWaalsContact C-N 3.33Å; T177-D179 PolarHBondContact O-N 3.07Å
180L41.6Very low48.2Very low176 Ų176104.5 Ų104.592%0.92162%0.618SS**SBendtrans-94.717.1175.2-154.468.2000113.4
181G39.3Very low46.4Very low58 Ų58107.5 Ų107.560%0.59864%0.641SS**  trans-123.316.3-159.800000117.9H183G181-H183 PolarHBondContact O-N 3.22Å
182T33.8Very low44.3Very low128 Ų128110.4 Ų110.479%0.78567%0.669SS**  trans-9889.1-175.439.50000114.2
183H33.5Very low42.6Very low177 Ų177114 Ų11482%0.81970%0.699SS**  trans35.796.4152.2-59.9-78.7000119.2G181G181-H183 PolarHBondContact O-N 3.22Å
184S30.2Very low41.1Very low116 Ų116117.4 Ų117.481%0.81172%0.715SS**PPolyproline II helixtrans-61.9135148.7-56.20000110
185P33.5Very low39Very low117 Ų117118.5 Ų118.576%0.7672%0.724SS**PPolyproline II helixtrans-68.4151.6176.128.1-34.3000111.8
186P33.2Very low36.9Very low131 Ų131123.6 Ų123.685%0.85176%0.758SS**PPolyproline II helixtrans-74.2129.5-172.728.6-34.6000113.6
187G30.6Very low35Very low73 Ų73125.7 Ų125.775%0.75377%0.77SS**  trans14110162.700000120.3
188T35.8Very low33.7Very low138 Ų138130.9 Ų130.985%0.84778%0.784SS**PPolyproline II helixtrans-58.3139.9152.238.30000111.2
189P34.6Very low32.9Very low109 Ų109132.6 Ų132.671%0.70879%0.789SS**PPolyproline II helixtrans-67.2155175.629-35000111.9V191P189-V191 PolarHBondContact O-N 2.88Å
190P33.2Very low31.9Very low129 Ų129137.4 Ų137.484%0.83880%0.804SS**PPolyproline II helixtrans-69.4128.1-172.527.2-34.7000112.7A192P190-A192 PolarHBondContact O-N 2.96Å
191V31.2Very low31.1Very low142 Ų142136.8 Ų136.886%0.86180%0.796SS**PPolyproline II helixtrans-68.8122.6175178.30000110.1P189 A193P189-V191 PolarHBondContact O-N 2.88Å; V191-A193 PolarHBondContact O-N 3.37Å
192A30.5Very low30.5Very low85 Ų85138.8 Ų138.870%0.70281%0.807SS**PPolyproline II helixtrans-68.9129.3173.600000110.9P190 I194P190-A192 PolarHBondContact O-N 2.96Å; A192-I194 PolarHBondContact O-N 3.45Å; A192-I194 VanDerWaalsContact O-N 3.15Å
193A28.6Very low30.2Very low101 Ų101139 Ų13984%0.83580%0.804SS**  trans-71.2108-172.200000113.1V191V191-A193 PolarHBondContact O-N 3.37Å
194I33Very low29.9Very low166 Ų166139.4 Ų139.485%0.85181%0.806SS**PPolyproline II helixtrans-79.1121.7169.3-61177.2000108.9A192A192-I194 PolarHBondContact O-N 3.45Å; A192-I194 VanDerWaalsContact O-N 3.15Å
195K29.4Very low29.7Very low183 Ų183141 Ų14180%0.79680%0.804SS**PPolyproline II helixtrans-73.5141.5176.8-74.1179.9176.7175.40111.2
196P26.5Very low29.4Very low126 Ų126141.7 Ų141.782%0.81880%0.802SS**PPolyproline II helixtrans-69.8141.3171.530.1-34.7000111.4
197Q27.6Very low29.1Very low192 Ų192141.5 Ų141.590%0.89779%0.793SS**  trans-126160.9164-72.6-159.1-10.400111.1
198K28.4Very low28.8Very low199 Ų199144.7 Ų144.787%0.86579%0.792SS**  trans-89.4130.7-156.4-66.9178.1176.4179.70114.1
199I29.6Very low28.3Very low127 Ų127145.9 Ų145.965%0.65179%0.793SS**  28.2121.7127.9-50.1171.7000117.1
200K25.1Very low27.8Very low213 Ų213143.9 Ų143.993%0.92679%0.792SS**  trans-130.9122.3131-78.1-168.3176.2-179.10109.6
201H26.5Very low27.5Very low162 Ų162145.9 Ų145.975%0.7579%0.79SS**  trans-79.6146.1164.3-77.7-96.2000109.8
202A25.9Very low27.3Very low100 Ų100145.9 Ų145.983%0.82678%0.778SS**  trans-138.9132.7151.500000107.1
203N26.8Very low27Very low134 Ų134151.8 Ų151.872%0.71778%0.783SS**  trans-85149.5-177.6-54.5-34.9000109.8
204H28.2Very low27Very low185 Ų185155.1 Ų155.186%0.85678%0.779SS**  -168.6137.5108-114.1-85.6000113.8
205L26.3Very low26.7Very low148 Ų148153 Ų15378%0.77577%0.769SS**  trans-79.7163154.8-56.5157.1000107.1
206N25.6Very low26.5Very low133 Ų133151.4 Ų151.471%0.71177%0.768SS**  cis-165.2-174.318.8-153.8-12.7000111.3
207L27.8Very low26.5Very low127 Ų127151.9 Ų151.967%0.66577%0.769SS**  trans81.7111.5151.1-70.9159.2000119.5
208N24.4Very low26.4Very low139 Ų139151.1 Ų151.174%0.74377%0.765SS**  50.4151.3114.7-766.1000120.3
209L24.1Very low27.1Very low163 Ų163147.2 Ų147.285%0.85376%0.76SS**  cis156.2128.9-4.6168.869.2000101.9
210G24.9Very low26.9Very low67 Ų67147.2 Ų147.269%0.69177%0.772SS**  trans149.7107.3175.600000115.1
211E27.4Very low27Very low171 Ų171140.7 Ų140.780%0.79977%0.765SS**  trans-3.4158.9136-63.6-167.6102.800119.9
212K26.6Very low26.9Very low142 Ų142136.3 Ų136.362%0.61776%0.764SS**  cis170166.7-10.7-179.5174.1170.8179.70105.7
213W25Very low26.9Very low209 Ų209138.1 Ų138.179%0.79276%0.764SS**  trans69.5145.2-179.2-41.790.5000112.6
214K27.8Very low26.7Very low172 Ų172136.7 Ų136.775%0.74877%0.765SS**  cis65.2132.241-71.6-164.2172-1650112.8
215D26.1Very low26.6Very low120 Ų120132.4 Ų132.464%0.64276%0.755SS**  cis-142.317614.7-97.3-42.4000112.4
216L26.2Very low26.7Very low151 Ų151134 Ų13479%0.79176%0.758SS**  trans24.5134.6147.1-55.4168.6000118.6
217T26.8Very low26.7Very low136 Ų136130.8 Ų130.883%0.83476%0.757SS**  -167153.669.9-450000111
218E25.1Very low26.6Very low175 Ų175131.8 Ų131.882%0.81876%0.763SS**  trans-79.5-161.5164-37.7-179.1112.900111
219P43.2Very low27Very low117 Ų117134.3 Ų134.376%0.7677%0.77SS**  cis-126.9177.7-27.531.4-13000112.3
220S25.3Very low27.2Very low128 Ų128131.3 Ų131.390%0.89576%0.763SS**  175.1156.9127.6-164.60000111.7
221G26Very low27.7Very low76 Ų76135.4 Ų135.478%0.78477%0.768SS**  trans-64.9-177.9-168.900000118
222G25.7Very low27.7Very low70 Ų70133.6 Ų133.672%0.72276%0.764SS**  cis152.3170.5200000112.5
223V25.2Very low28.2Very low138 Ų138132 Ų13284%0.83677%0.771SS**  trans62.293.1166-169.70000117.5
224S23Very low28.4Very low104 Ų104125.3 Ų125.373%0.72777%0.767SS**  44.8130.5122.3-42.90000122.5
225S25.3Very low28.8Very low94 Ų94121.5 Ų121.566%0.65777%0.767SS**  139.6136.2102.3-101.70000118.9
226H28.6Very low29Very low181 Ų181125 Ų12584%0.83878%0.779SS**  trans69.9141.4149-60.5-50.4000123.5
227G25.3Very low29.2Very low66 Ų66120.8 Ų120.868%0.6877%0.773SS**  trans12760.8158.400000115.8
228N27.5Very low30.6Very low148 Ų148120 Ų12079%0.79177%0.77SS**  75.6150.483.5-79.89.4000117
229Q31.8Very low31Very low192 Ų192118.8 Ų118.890%0.89777%0.77SS**  trans82.2135.4177.4-52.6-179.349.600114.8
230S29.2Very low30.6Very low101 Ų101121.6 Ų121.671%0.70677%0.773SS**  cis-150.9163.7-1.7-159.60000113.8
231L35Very low31.8Very low153 Ų153121.1 Ų121.180%0.80177%0.766SS**  trans-24.3162.4164.9-53.7167.6000117.6
232D28Very low32.1Very low132 Ų132123 Ų12371%0.70676%0.758SS**  cis-156.6160.228.3-159.410.1000115.8
233S35.2Very low32.4Very low109 Ų109130 Ų13076%0.76276%0.763SS**  trans5.8152160.5-590000123.4
234G29.4Very low32.5Very low68 Ų68126.4 Ų126.470%0.70175%0.754SS**  cis150.1168.8-5.400000115.2
235A36.1Very low32.9Very low92 Ų92129.3 Ų129.376%0.7676%0.761SS**  trans68.1146.9164.500000118.9
236E31.2Very low33Very low193 Ų193133.9 Ų133.990%0.90277%0.772SS**  cis-156.9165.2-6.4-121.9165.3159.600112.6
237G30.4Very low34Very low64 Ų64130.8 Ų130.866%0.6677%0.768SS**  trans-114.4-138.3169.900000111.2
238P56.6Low35.4Very low118 Ų118133.2 Ų133.277%0.76677%0.772SS**  cis-105.7-120.42.21412.3000112
239D33.6Very low36.9Very low151 Ų151131.3 Ų131.381%0.80777%0.768SS**  cis-160.8158.35.3-124.3-23.1000112.3
240E34.9Very low37.9Very low176 Ų176127.2 Ų127.282%0.82276%0.757SS**  trans-153.6150.5174.5-164-170.1-140.500108.5
241P49.2Very low38.1Very low117 Ų117127 Ų12776%0.7676%0.756SS**  -163.1154.6117.138.9-18.2000120.6
242D33Very low38.1Very low116 Ų116126.5 Ų126.562%0.6275%0.754SS**  trans74143.8133.8-158.224.4000124.9
243R31.5Very low38.1Very low217 Ų217128.5 Ų128.582%0.81976%0.757SS**  trans61.9155.1164.9-91.7167.9-100.9-146.4-7.5121.2
244G28.7Very low37.9Very low63 Ų63131.1 Ų131.165%0.64976%0.757SS**  cis169.3167.6-6.300000115.4
245D31.2Very low37.9Very low165 Ų165132.9 Ų132.988%0.88276%0.759SS**  trans73.9163.6162-64.8-45.1000123.6
246H27.2Very low37.6Very low189 Ų189133.5 Ų133.588%0.87576%0.757SS**  trans-109.7-139.7-175.2-68.2-77.1000113.7
247P49.7Very low37.7Very low116 Ų116130.2 Ų130.275%0.75375%0.75SS**  trans-123.4-150-134.539.5-14.6000112.8
248P53.5Low37.6Very low118 Ų118133.4 Ų133.477%0.76676%0.756SS**  cis-118.9-94.2-22.2185.9000119.2
249P59.2Low36.4Very low108 Ų108135.9 Ų135.970%0.70176%0.758SS**  trans-124.6-153.5-134.944.8-24.3000113
250P53.4Low36Very low105 Ų105133.7 Ų133.768%0.68275%0.754SS**  cis-141.2-159.9-2.343.7-22.6000116.5
251S33Very low35.7Very low96 Ų96133.5 Ų133.567%0.67175%0.75SS**  trans76.1147.7148.766.10000121.1
252D34.9Very low34.6Very low143 Ų143135.7 Ų135.777%0.76575%0.75SS**  cis-168.7162.8-22.2-101-39.4000110.3
253F28.2Very low34.3Very low175 Ų175136.5 Ų136.577%0.76876%0.759SS**  177.8125.5121.3-114.5-94.8000113.9
254E32.2Very low34Very low164 Ų164133.8 Ų133.877%0.76676%0.76SS**  trans37.5140.1151.3-67.2-178.215800122.5
255S28.3Very low34.8Very low105 Ų105136.2 Ų136.273%0.73477%0.765SS**  cis-168.3-174.8-9.360.10000108.4
256S29.6Very low34.6Very low105 Ų105133 Ų13373%0.73476%0.76SS**  cis-162.1-160.912.5-146.90000114.2
257V32.7Very low34.6Very low124 Ų124127.7 Ų127.775%0.75275%0.749SS**  trans-59.4158.8177.8-117.70000115.9
258V29.6Very low33.5Very low130 Ų130130.5 Ų130.579%0.78875%0.752SS**  cis-144.9166.926.9-168.70000113.6
259H30.2Very low32.1Very low171 Ų171130.9 Ų130.979%0.79275%0.748SS**  trans-48.4170.1172.3-71.514.8000117.6
260S26Very low30.5Very low104 Ų104131.4 Ų131.473%0.72775%0.749SS**  cis-158.4176.326.1-1480000118.2
261K28.4Very low29.2Very low173 Ų173133.7 Ų133.775%0.75275%0.751SS**  trans-53.8168.5168.7-71.2164.2168-176.70114.8
262Q26.8Very low28.9Very low162 Ų162137.1 Ų137.176%0.75776%0.756SS**  cis-167.8-173.74.2-122.8169.6-66.700110.4
263V25.8Very low28.4Very low133 Ų133135 Ų13581%0.80676%0.759SS**  trans115.7129.4145.5-173.60000118.5
264L26.1Very low28.5Very low160 Ų160131 Ų13184%0.83876%0.758SS**  trans-117.9166.1158.3-72168.8000106.7
265P44.3Very low28.2Very low115 Ų115132 Ų13275%0.74776%0.763SS**  cis-147.9-163.323.943.7-22.6000115.9
266A26.7Very low28.3Very low96 Ų96134.4 Ų134.479%0.79377%0.766SS**  trans66.9168.1149.500000118.7
267A27.2Very low28.1Very low78 Ų78138.6 Ų138.665%0.64577%0.774SS**  cis-171.2171.8-36.500000108
268H27.2Very low27.8Very low175 Ų175140.5 Ų140.581%0.8177%0.774SS**  trans65.4161.6171.2-71.1-67.6000116.2
269N25.3Very low27.5Very low127 Ų127144 Ų14468%0.67978%0.775SS**  cis-162.9169.3-36.7-135.22.6000108.1
270T25.6Very low27.3Very low119 Ų119142.5 Ų142.573%0.7377%0.773SS**  trans61.4136.7165.440.40000116.8
271Q26Very low27.3Very low152 Ų152145.1 Ų145.171%0.7177%0.773SS**  cis105.5132.627.3179.2-178.7-30.700111.8
272E25.2Very low27.6Very low168 Ų168142.5 Ų142.579%0.78577%0.774SS**  trans65.3153.3174.3-78.8163.8109.600116.1
273A24.7Very low27.6Very low100 Ų100139.9 Ų139.983%0.82677%0.773SS**  cis-140.9-168.3-4.800000110.6
274A31.3Very low27.6Very low91 Ų91137.5 Ų137.575%0.75278%0.776SS**  trans-112151.2-175.200000114.1
275E24.5Very low27.4Very low184 Ų184133.6 Ų133.686%0.8678%0.775SS**  trans-167.7123.4155.5-102.9156.2-165.500104.9
276I30.8Very low26.6Very low155 Ų155137.3 Ų137.380%0.79578%0.782SS**  59.6101.262.8-55.1179.3000112.7
277E25.6Very low26.5Very low194 Ų194138.4 Ų138.491%0.90778%0.784SS**  trans-153.2178.3131.4-130.1-176.8-15900112
278H25.8Very low26.5Very low163 Ų163144.3 Ų144.376%0.75580%0.798SS**  trans-124.5-172.9-156.7-119.3-102.5000112.7
279Y23.8Very low26.4Very low204 Ų204145.5 Ų145.580%0.880%0.801SS**  trans74.3143.8172-77.1-93.2000116.2
280N26.2Very low26.3Very low140 Ų140147.6 Ų147.675%0.74981%0.81SS**  cis-145.9165.51.9-156.53.2000113.4
281Q27Very low26.3Very low158 Ų158147.2 Ų147.274%0.73881%0.811SS**  trans-88.5172.4173-147.6-179.627.200111.9
282P34Very low26.3Very low118 Ų118147 Ų14777%0.76682%0.815SS**  -147.8125.5110.434.6-17.1000117.7
283S26.8Very low26.3Very low107 Ų107147.3 Ų147.375%0.74882%0.816SS**  trans39.7133.8134.965.10000125.2
284G24.9Very low26.5Very low84 Ų84151 Ų15187%0.86682%0.816SS**  trans121121.6160.200000111.7
285G23.4Very low26.2Very low78 Ų78154.9 Ų154.980%0.80482%0.819SS**  cis121.1120.322.200000106.5
286E25.9Very low26.3Very low192 Ų192153.2 Ų153.290%0.89782%0.816SS**  cis-143.5144.944.1-63.7172.3135.100114.4
287S25Very low26Very low120 Ų120153 Ų15384%0.83982%0.816SS**  trans23.7120.8130.8-51.80000123.5
288E27.2Very low25.9Very low202 Ų202153 Ų15394%0.94482%0.816SS**  -145.7165.7124.6-136.1169.6-152.400110.7
289K25.3Very low25.8Very low199 Ų199153.5 Ų153.587%0.86582%0.819SS**  trans-99.9142.6-157.7-65.4177.1-179.8175.60114.9
290I23.7Very low25.9Very low171 Ų171151.6 Ų151.688%0.87782%0.821SS**  trans-115142.6148.9-62.9176000106.8
291C25.6Very low25.8Very low112 Ų112156.4 Ų156.476%0.75783%0.829SS**  trans-142.8146.9172.2-1730000108.6
292D26.1Very low25.8Very low147 Ų147158 Ų15879%0.78683%0.834SS**  trans-73.2154-174.4-41.7-90.7000112.6
293Q25.5Very low25.5Very low174 Ų174159.2 Ų159.281%0.81384%0.838SS**  trans-152.789.4161.4-164.769.176.700111
294E27.4Very low25.4Very low177 Ų177160.6 Ų160.683%0.82784%0.837SS**  trans-89.8175.8148.4-68.2-169.7126.500109.4
295E26.4Very low25.4Very low173 Ų173165.7 Ų165.781%0.80884%0.839SS**  trans71.2148.1176-62.1-156.8119.100120
296L25.4Very low25.6Very low150 Ų150166.1 Ų166.179%0.78583%0.829SS**  trans71136.1-176.4-81.664.7000116.8
297D25Very low25.7Very low151 Ų151165.4 Ų165.481%0.80783%0.826SS**  cis-120.9143.69.5-89.3-47.5000114.9
298Q22.8Very low25.8Very low192 Ų192169.4 Ų169.490%0.89783%0.828SS**  trans-138.578.7162-174.5-168.399.600110.6
299E24.9Very low25.8Very low175 Ų175168.7 Ų168.782%0.81883%0.825SS**  trans-158102151.5-134-178.2-165.300114.5
300L24.8Very low26Very low163 Ų163166.4 Ų166.485%0.85382%0.822SS**  trans-166.579.6153.8-118.5167000112.7
301R25.5Very low26.1Very low242 Ų242161.9 Ų161.991%0.91382%0.817SS**  trans169.2103.6148-91.9150.5-156.7-117.45.5112
302K26.3Very low26.2Very low192 Ų192166 Ų16684%0.83582%0.822SS**  trans-139.2161.3152.1-78.3-177.1-178.4163.10107.5
303V27.3Very low26.3Very low142 Ų142167.5 Ų167.586%0.86183%0.828SS**  trans70.5122.5-166.1-170.70000110.7
304D24.7Very low26.3Very low137 Ų137162.3 Ų162.373%0.73382%0.822SS**  cis-139.8150.25.9-159.33.5000112.9
305Q24.6Very low26.3Very low191 Ų191161.3 Ų161.389%0.89382%0.817SS**  trans-156.5112.5158.9-82-162.8-4.300108.2
306S28Very low26.3Very low87 Ų87161 Ų16161%0.60881%0.813SS**  trans-86143.7171.698.80000112
307E29.1Very low26.3Very low177 Ų177158.8 Ų158.883%0.82781%0.81SS**  trans59110.3145-65.3164.2128.100120
308K26.4Very low26.3Very low204 Ų204156.8 Ų156.889%0.88781%0.808SS**  trans-62.2154.8155.4-55.8172.3179.4178.80110.3
309H27.3Very low26.4Very low187 Ų187154.1 Ų154.187%0.86680%0.804SS**  trans-132.2137.8144-148-69.5000111.4
310D29.4Very low26.6Very low150 Ų150150.1 Ų150.180%0.80280%0.801SS**  trans-85.7156.8178.5-129.1-48.5000111.2
311G26.1Very low26.5Very low76 Ų76150.5 Ų150.578%0.78480%0.803SS**  trans175.988-179.200000116.9
312K28.1Very low26.5Very low199 Ų199146.8 Ų146.887%0.86580%0.796SS**  trans-84.8143.2168.2-98.2-178.7174.7175.90112.3
313I27.8Very low26.3Very low178 Ų178144 Ų14491%0.91380%0.799SS**  trans164.4148152-88.5149.8000106.6
314G25.5Very low26.2Very low65 Ų65145 Ų14567%0.6780%0.795SS**  cis157.7112.3-9.900000113.4
315E26.3Very low26.2Very low156 Ų156148.5 Ų148.573%0.72980%0.798SS**  trans65.2142.3163.1-73.3-158.3115.100123.6
316K27Very low26.2Very low167 Ų167146.4 Ų146.473%0.72679%0.788SS**  trans67.6155148.5-70.4156.6-176.4149.60119.3
317S25.7Very low26.1Very low103 Ų103146.6 Ų146.672%0.7279%0.794SS**  cis-179.7163.6-24.5-173.60000108.4
318S24Very low25.8Very low110 Ų110145.1 Ų145.177%0.76980%0.797SS**  trans70.8154.3160840000117.5
319V26.2Very low25.7Very low135 Ų135143.7 Ų143.782%0.81879%0.791SS**  cis-155.6158.4-14.6116.90000109.1
320A27.8Very low25.5Very low91 Ų91142.6 Ų142.675%0.75279%0.792SS**  trans-87.8163.7178.200000113.5
321L23Very low25.3Very low171 Ų171143.6 Ų143.690%0.89579%0.792SS**  trans-156.8129161.9-116.9164.3000111.8
322E26.7Very low25.3Very low165 Ų165149.5 Ų149.577%0.77180%0.799SS**  trans-100.6159.7171.2-61.5168.189.800110.7
323C20.8Very low25.3Very low132 Ų132149 Ų14989%0.89280%0.8SS**  trans-159.5157.2133.5-141.30000112.2
324Q26.2Very low25.1Very low164 Ų164146.4 Ų146.477%0.76680%0.797SS**  trans-122.9157.2179.5-54.8170.66.900109.8
325R24.6Very low25.2Very low211 Ų211152.4 Ų152.480%0.79681%0.808SS**  trans-174135132.5-110.3-172.8142.912115.2116.5
326E24.5Very low25.1Very low147 Ų147151.5 Ų151.569%0.68781%0.808SS**  15.3148.7124-58.4176.4144.700120.1
327A25.3Very low25.3Very low90 Ų90151.2 Ų151.274%0.74481%0.81SS**  cis-178.6-165.5-11.100000109.7
328V23.6Very low25.3Very low147 Ų147155.1 Ų155.189%0.89181%0.814SS**  trans109.6147.4158.3-173.60000117.2
329F23.7Very low25.5Very low173 Ų173157.9 Ų157.976%0.75981%0.812SS**  trans-93.6165.5-169-116.4-113.7000113.4
330D23.2Very low25.4Very low164 Ų164157.7 Ų157.788%0.87781%0.811SS**  -164.8170.3127.3-106.4-27.8000112.2
331Q26.5Very low25.5Very low171 Ų171159.7 Ų159.780%0.79982%0.816SS**  trans-121.7151.7-175.5-54.8178.2-7900112.5
332E25.5Very low25.6Very low200 Ų200156.7 Ų156.794%0.93581%0.81SS**  trans-167.7164.4135.3-114.5175.5-169.400112.6
333E27.3Very low25.9Very low189 Ų189158.1 Ų158.188%0.88382%0.817SS**  trans-102.8150.8-174.5-58.8-179.1116.300113.7
334S23.3Very low26.3Very low124 Ų124157.3 Ų157.387%0.86781%0.812SS**  trans-176.5165.9137.328.60000113.6
335Q27.2Very low26.8Very low190 Ų190155.1 Ų155.189%0.88882%0.815SS**  trans-77.5166.6179.7-65.2147.7-2.400110.7
336D26.1Very low27.2Very low138 Ų138153.3 Ų153.374%0.73882%0.816SS**  cis-157.7-171.932.2-162.2-2000111.9
337Q30.7Very low27.8Very low161 Ų161152 Ų15275%0.75282%0.823SS**  trans-72.6138.7-171.7-57.9148.275.900115.3
338F26.2Very low28.4Very low185 Ų185154.4 Ų154.481%0.81182%0.823SS**  -173164.6103.4-145.3-111.1000113.9
339K28.1Very low29.4Very low167 Ų167153.4 Ų153.473%0.72682%0.817SS**  trans-62.8133.1-171.1-57.5167.1177.3177.10116.2
340T22.9Very low31.2Very low132 Ų132151.9 Ų151.981%0.8181%0.813SS**  -162.1152.7111.718.30000110.2
341P29.9Very low33.5Very low132 Ų132148.1 Ų148.186%0.85779%0.79SS**  trans-85.5124.4-178.133-31.4000111.8
342S24.5Very low36.2Very low108 Ų108140 Ų14076%0.75575%0.752SS**  trans-116.3116.8168.356.30000110.1S344S342-S344 PolarHBondContact O-N 3.43Å
343E34.4Very low39Very low196 Ų196134 Ų13492%0.91673%0.726SS**  trans12.8101.7153.4-61.7170.215400117.3
344S28.7Very low41.9Very low115 Ų115125 Ų12580%0.80468%0.684SS**  trans-96.9101.2150.956.20000108.3S342 E346S342-S344 PolarHBondContact O-N 3.43Å; S344-E346 PolarHBondContact O-N 2.95Å
345S37.1Very low45.1Very low117 Ų117120.3 Ų120.382%0.81865%0.648SS**  trans-76.985.8-178.959.80000111.6
346E33.5Very low48Very low174 Ų174111.5 Ų111.581%0.81361%0.607SS**  trans-80.8123.9151.7-66.6-164.7134.100107.5S344 D348S344-E346 PolarHBondContact O-N 2.95Å; E346-D348 PolarHBondContact O-N 3.48Å
347S36.2Very low51Low119 Ų119107.9 Ų107.983%0.83259%0.587SS**  trans-83.364-176.763.30000110.6T349S347-T349 PolarHBondContact O-N 2.94Å; S347-T349 VanDerWaalsContact O-N 3.1Å
348D38.4Very low53.6Low140 Ų140103.5 Ų103.575%0.74957%0.572SS**  trans-59.2113.4163.3-88.7-27.6000108.1E346 E350E346-D348 PolarHBondContact O-N 3.48Å; D348-E350 PolarHBondContact O-N 3.44Å
349T44.9Very low56.6Low126 Ų12695.3 Ų95.377%0.77354%0.536SS*.  trans-68.292.115950.40000106.4S347 Q351S347-T349 PolarHBondContact O-N 2.94Å; S347-T349 VanDerWaalsContact O-N 3.1Å; T349-Q351 VanDerWaalsContact C-N 3.32Å; T349-Q351 PolarHBondContact O-N 2.95Å
350E61.1Low59.5Low142 Ų14292 Ų9266%0.66454%0.535SS*.  trans-47.692.8177.2-79.9-166128.700109.6D348 R523D348-E350 PolarHBondContact O-N 3.44Å; E350-R523 PolarHBondContact O-NH2 3.06Å
351Q71.6Confident62.8Low85 Ų8589.4 Ų89.440%0.39751%0.513SS..  trans-86.6144.7-173.3-173.5167.28.700109.8T349 D353 S529T349-Q351 VanDerWaalsContact C-N 3.32Å; T349-Q351 PolarHBondContact O-N 2.95Å; Q351-D353 PolarHBondContact O-N 2.74Å; Q351-D353 VanDerWaalsContact O-N 3.08Å; Q351-S529 WeakPolarHBondContact CG-OG 3.12Å; Q351-S529 PolarHBondContact NE2-OG 3.25Å
352V82.1Confident65.8Low1 Ų186 Ų861%0.00648%0.483CS..  trans-58.9118.1-178.6176.30000112.3T354 V515 D520 R523 D525 F526 S529V352-T354 HydrophobicContact CG1-CG2 4.5Å; V352-T354 PolarHBondContact O-N 3.4Å; V352-V515 HydrophobicContact CG1-CG1 4.27Å; V352-D520 HydrophobicContact CG1-CB 3.82Å; V352-D520 HydrophobicContact CG2-CB 4.22Å; V352-R523 HydrophobicContact CG2-CB 4.02Å; V352-R523 HydrophobicContact CG2-CG 4.37Å; V352-D525 WeakPolarHBondContact CG2-OD2 3.22Å; V352-D525 PolarHBondContact N-OD2 3.36Å; V352-F526 HydrophobicContact CB-CB 4.39Å; V352-F526 HydrophobicContact CG1-CB 4.32Å; V352-F526 HydrophobicContact CG1-CD2 3.72Å; V352-F526 HydrophobicContact CG1-CG 4.48Å; V352-F526 HydrophobicContact CG2-CB 4.14Å; V352-S529 WeakPolarHBondContact O-CB 3.41Å
353D84.9Confident69Low72 Ų7281 Ų8139%0.38545%0.447SS..  trans-76.196.2170.8-100-36.4000110.8Q351 N357 T358 S516Q351-D353 PolarHBondContact O-N 2.74Å; Q351-D353 VanDerWaalsContact O-N 3.08Å; D353-N357 PolarHBondContact OD1-ND2 3.4Å; D353-T358 HydrophobicContact CB-CG2 3.69Å; D353-S516 WeakPolarHBondContact O-CB 3.49Å; D353-S516 PolarHBondContact O-N 2.92Å; D353-S516 PolarHBondContact O-OG 2.84Å
354T88.7Confident71.7Confident1 Ų173.5 Ų73.51%0.00642%0.417CS..BIsolated β-bridgetrans-73.9157.3172.585.40000111.1V352 F356 N357 T358 F526 M530 D533V352-T354 HydrophobicContact CG1-CG2 4.5Å; V352-T354 PolarHBondContact O-N 3.4Å; T354-F356 PolarHBondContact O-N 3.09Å; T354-F356 VanDerWaalsContact O-N 3.14Å; T354-F356 PolarHBondContact OG1-N 3.31Å; T354-N357 PolarHBondContact O-N 2.84Å; T354-T358 PolarHBondContact O-N 2.87Å; T354-T358 VanDerWaalsContact O-N 3.08Å; T354-T358 PolarHBondContact O-OG1 3.26Å; T354-F526 HydrophobicContact CG2-CD2 4.23Å; T354-F526 HydrophobicContact CG2-CE2 4.15Å; T354-M530 HydrophobicContact CG2-CB 4.4Å; T354-D533 WeakPolarHBondContact CB-OD2 3.34Å; T354-D533 WeakPolarHBondContact CG2-OD2 3.44Å; T354-D533 PolarHBondContact OG1-OD2 3.24Å
355F89.6Confident74.8Confident25 Ų2572 Ų7211%0.1140%0.4CS..Hα-helixtrans-50.1-35.8172.7166.6-91.8000112.9N357 T358 M359 A385 I386 V389 L514F355-N357 VanDerWaalsContact C-N 3.27Å; F355-N357 PolarHBondContact O-N 3.5Å; F355-T358 PolarHBondContact O-N 3.36Å; F355-M359 HydrophobicContact CD1-SD 4.22Å; F355-M359 HydrophobicContact CD2-CB 4.35Å; F355-M359 HydrophobicContact CE1-CB 4.22Å; F355-M359 HydrophobicContact CE1-CE 3.79Å; F355-M359 HydrophobicContact CE1-CG 4.46Å; F355-M359 HydrophobicContact CE1-SD 3.52Å; F355-M359 VanDerWaalsContact CE1-SD 3.52Å; F355-M359 HydrophobicContact CE2-CB 3.82Å; F355-M359 HydrophobicContact CZ-CB 3.74Å; F355-M359 HydrophobicContact CZ-CE 3.7Å; F355-M359 HydrophobicContact CZ-CG 4.39Å; F355-M359 HydrophobicContact CZ-SD 3.86Å; F355-M359 VanDerWaalsContact O-CB 3.27Å; F355-M359 WeakPolarHBondContact O-CB 3.23Å; F355-M359 WeakPolarHBondContact O-CG 3.32Å; F355-M359 PolarHBondContact O-N 3.09Å; F355-A385 VanDerWaalsContact CZ-O 3.3Å; F355-A385 WeakPolarHBondContact CZ-O 3.38Å; F355-I386 HydrophobicContact CE1-CD1 3.6Å; F355-I386 HydrophobicContact CZ-CD1 4.04Å; F355-V389 HydrophobicContact CD1-CG2 3.69Å; F355-V389 HydrophobicContact CD2-CG2 3.64Å; F355-V389 HydrophobicContact CE1-CG2 3.61Å; F355-V389 HydrophobicContact CE2-CG2 3.54Å; F355-V389 HydrophobicContact CG-CG2 3.71Å; F355-V389 HydrophobicContact CZ-CG2 3.54Å; F355-L514 HydrophobicContact CB-CD2 4.32Å; F355-L514 WeakPolarHBondContact CB-O 3.28Å; F355-L514 HydrophobicContact CD1-CD2 4.23Å; F355-L514 HydrophobicContact CG-CD2 4.49Å; F355-L514 PolarHBondContact N-O 2.92Å
356F88.8Confident77.4Confident6 Ų667.1 Ų67.13%0.02636%0.364CS..Hα-helixtrans-73.4-18.3180-58.2-71.4000113.1T354 M359 R362 I386 L463 L514 D533 L534 Y537T354-F356 PolarHBondContact O-N 3.09Å; T354-F356 VanDerWaalsContact O-N 3.14Å; T354-F356 PolarHBondContact OG1-N 3.31Å; F356-M359 HydrophobicContact CD1-SD 4.21Å; F356-R362 WeakPolarHBondContact O-CD 3.46Å; F356-I386 HydrophobicContact CE1-CD1 4.4Å; F356-L463 HydrophobicContact CE1-CD1 3.89Å; F356-L463 HydrophobicContact CZ-CD1 3.86Å; F356-L463 HydrophobicContact CZ-CD2 3.9Å; F356-L514 HydrophobicContact CE2-CD1 3.97Å; F356-L514 HydrophobicContact CE2-CD2 3.74Å; F356-L514 HydrophobicContact CE2-CG 4.41Å; F356-L514 HydrophobicContact CZ-CD2 3.81Å; F356-D533 HydrophobicContact CB-CB 3.94Å; F356-L534 HydrophobicContact CD1-CD2 4.16Å; F356-L534 HydrophobicContact CD2-CD2 3.7Å; F356-L534 HydrophobicContact CD2-CG 4.08Å; F356-L534 HydrophobicContact CE1-CD2 4.02Å; F356-L534 HydrophobicContact CE2-CD2 3.54Å; F356-L534 HydrophobicContact CE2-CG 4.12Å; F356-L534 HydrophobicContact CG-CD2 4.01Å; F356-L534 HydrophobicContact CZ-CD2 3.72Å; F356-Y537 AromaticContact CD1-CD1 3.9Å; F356-Y537 HydrophobicContact CD1-CD1 3.9Å; F356-Y537 HydrophobicContact CD1-CD2 4.2Å; F356-Y537 AromaticContact CD1-CE1 3.89Å; F356-Y537 HydrophobicContact CD1-CE1 3.89Å; F356-Y537 HydrophobicContact CD1-CE2 4.18Å; F356-Y537 HydrophobicContact CD1-CG 4.05Å; F356-Y537 HydrophobicContact CE1-CD1 4.16Å; F356-Y537 AromaticContact CE1-CE1 3.85Å; F356-Y537 HydrophobicContact CE1-CE1 3.85Å
357N88.1Confident80.1Confident61 Ų6168.9 Ų68.933%0.32636%0.363SS..Hα-helixtrans-84.9-39.3167.5-164.942.6000112D353 T354 F355 R362D353-N357 PolarHBondContact OD1-ND2 3.4Å; T354-N357 PolarHBondContact O-N 2.84Å; F355-N357 VanDerWaalsContact C-N 3.27Å; F355-N357 PolarHBondContact O-N 3.5Å; N357-R362 PolarHBondContact O-NH1 3.32Å; N357-R362 PolarHBondContact OD1-NH1 3.24Å; N357-R362 VanDerWaalsContact OD1-NH1 3.1Å
358T86.7Confident82.8Confident69 Ų6965 Ų6542%0.42333%0.333SS..Hα-helixtrans-96.5-9.2-168.658.80000116.1D353 T354 F355 S516D353-T358 HydrophobicContact CB-CG2 3.69Å; T354-T358 PolarHBondContact O-N 2.87Å; T354-T358 VanDerWaalsContact O-N 3.08Å; T354-T358 PolarHBondContact O-OG1 3.26Å; F355-T358 PolarHBondContact O-N 3.36Å; T358-S516 WeakPolarHBondContact CG2-OG 3.41Å; T358-S516 PolarHBondContact OG1-OG 3.1Å
359M88.9Confident85.3Confident13 Ų1362.4 Ų62.46%0.06432%0.319CS..SBendtrans-63.5136.117567.3-167.9-64.400111.8F355 F356 H361 R362 A385 Y537F355-M359 HydrophobicContact CD1-SD 4.22Å; F355-M359 HydrophobicContact CD2-CB 4.35Å; F355-M359 HydrophobicContact CE1-CB 4.22Å; F355-M359 HydrophobicContact CE1-CE 3.79Å; F355-M359 HydrophobicContact CE1-CG 4.46Å; F355-M359 HydrophobicContact CE1-SD 3.52Å; F355-M359 VanDerWaalsContact CE1-SD 3.52Å; F355-M359 HydrophobicContact CE2-CB 3.82Å; F355-M359 HydrophobicContact CZ-CB 3.74Å; F355-M359 HydrophobicContact CZ-CE 3.7Å; F355-M359 HydrophobicContact CZ-CG 4.39Å; F355-M359 HydrophobicContact CZ-SD 3.86Å; F355-M359 VanDerWaalsContact O-CB 3.27Å; F355-M359 WeakPolarHBondContact O-CB 3.23Å; F355-M359 WeakPolarHBondContact O-CG 3.32Å; F355-M359 PolarHBondContact O-N 3.09Å; F356-M359 HydrophobicContact CD1-SD 4.21Å; M359-H361 WeakPolarHBondContact CE-O 3.27Å; M359-H361 PolarHBondContact O-N 3.35Å; M359-H361 VanDerWaalsContact O-N 3.15Å; M359-R362 HydrophobicContact CG-CG 3.56Å; M359-R362 HydrophobicContact SD-CG 4.24Å; M359-A385 HydrophobicContact CE-CB 3.58Å; M359-Y537 HydrophobicContact CE-CE2 4Å; M359-Y537 HydrophobicContact SD-CD2 4.3Å; M359-Y537 HydrophobicContact SD-CE2 3.63Å
360S88.3Confident87Confident99 Ų9964.5 Ų64.569%0.69233%0.326SS*.SBendtrans-68.6-17.3-166.662.70000115.6
361H92Very high88.2Confident76 Ų7665.1 Ų65.135%0.35233%0.334SS..SBendtrans-137.9127.3174.1-55-82.7000108.4M359 D381M359-H361 WeakPolarHBondContact CE-O 3.27Å; M359-H361 PolarHBondContact O-N 3.35Å; M359-H361 VanDerWaalsContact O-N 3.15Å; H361-D381 HydrophobicContact CB-CB 4.12Å
362R92.6Very high89.2Confident60 Ų6064.6 Ų64.623%0.22633%0.334CS..  trans-124.6138.9-177.6-60.4-178.2-61.6-175.32.7109.9F356 N357 M359 S364 D365F356-R362 WeakPolarHBondContact O-CD 3.46Å; N357-R362 PolarHBondContact O-NH1 3.32Å; N357-R362 PolarHBondContact OD1-NH1 3.24Å; N357-R362 VanDerWaalsContact OD1-NH1 3.1Å; M359-R362 HydrophobicContact CG-CG 3.56Å; M359-R362 HydrophobicContact SD-CG 4.24Å; R362-S364 VanDerWaalsContact CB-OG 3.28Å; R362-S364 WeakPolarHBondContact CB-OG 3.31Å; R362-S364 PolarHBondContact O-N 3.41Å; R362-D365 IonicContact CZ-OD1 2.72Å; R362-D365 IonicContact CZ-OD2 2.85Å; R362-D365 VanDerWaalsContact CZ-OD2 3.25Å; R362-D365 IonicContact NE-OD1 2.66Å; R362-D365 PolarHBondContact NE-OD1 3Å; R362-D365 IonicContact NE-OD2 2.97Å; R362-D365 PolarHBondContact NE-OD2 2.73Å; R362-D365 VanDerWaalsContact NH2-CG 3.32Å; R362-D365 IonicContact NH2-OD1 2.75Å; R362-D365 PolarHBondContact NH2-OD1 2.7Å; R362-D365 IonicContact NH2-OD2 3.92Å; R362-D365 PolarHBondContact NH2-OD2 2.94Å; R362-D365 PolarHBondContact O-N 3.42Å
363F92.4Very high89.7Confident3 Ų364.8 Ų64.81%0.01334%0.336CS..THydrogen-bonded Turntrans-57.2-23.1173-65.8-68.4000113.1M366 F379 S382 L456 Y537 A540 M541 Q544F363-M366 HydrophobicContact CD1-CE 3.8Å; F363-M366 HydrophobicContact CE1-CE 4.4Å; F363-F379 HydrophobicContact CD1-CD2 4.48Å; F363-F379 HydrophobicContact CE1-CD2 4.08Å; F363-F379 HydrophobicContact CE1-CE2 4.08Å; F363-S382 VanDerWaalsContact CE1-CB 3.48Å; F363-L456 HydrophobicContact CE2-CD2 4.36Å; F363-L456 HydrophobicContact CZ-CD2 3.96Å; F363-Y537 HydrophobicContact CD2-CD2 4.5Å; F363-Y537 AromaticContact CD2-CE2 3.69Å; F363-Y537 HydrophobicContact CD2-CE2 3.69Å; F363-Y537 AromaticContact CD2-CZ 3.72Å; F363-Y537 HydrophobicContact CE2-CE2 4.38Å; F363-A540 HydrophobicContact CB-CB 4.4Å; F363-M541 HydrophobicContact CB-CB 4.29Å; F363-M541 HydrophobicContact CD2-CB 4.26Å; F363-M541 HydrophobicContact CD2-CE 3.61Å; F363-M541 HydrophobicContact CD2-CG 4.33Å; F363-M541 HydrophobicContact CE2-CE 3.5Å; F363-M541 VanDerWaalsContact CE2-CE 3.5Å; F363-M541 HydrophobicContact CG-CB 4.28Å; F363-M541 HydrophobicContact CZ-CE 4.41Å; F363-Q544 PolarHBondContact O-NE2 3.03Å
364S91.9Very high90.3Very high39 Ų3961.4 Ų61.427%0.27332%0.318SS..THydrogen-bonded Turntrans-69.9-27174.154.10000115.4R362R362-S364 VanDerWaalsContact CB-OG 3.28Å; R362-S364 WeakPolarHBondContact CB-OG 3.31Å; R362-S364 PolarHBondContact O-N 3.41Å
365D92Very high90.7Very high83 Ų8362.3 Ų62.344%0.44432%0.324SS..THydrogen-bonded Turntrans-97-20.8-167.6-59.82.6000111.5R362 R367R362-D365 IonicContact CZ-OD1 2.72Å; R362-D365 IonicContact CZ-OD2 2.85Å; R362-D365 VanDerWaalsContact CZ-OD2 3.25Å; R362-D365 IonicContact NE-OD1 2.66Å; R362-D365 PolarHBondContact NE-OD1 3Å; R362-D365 IonicContact NE-OD2 2.97Å; R362-D365 PolarHBondContact NE-OD2 2.73Å; R362-D365 VanDerWaalsContact NH2-CG 3.32Å; R362-D365 IonicContact NH2-OD1 2.75Å; R362-D365 PolarHBondContact NH2-OD1 2.7Å; R362-D365 IonicContact NH2-OD2 3.92Å; R362-D365 PolarHBondContact NH2-OD2 2.94Å; R362-D365 PolarHBondContact O-N 3.42Å; D365-R367 PolarHBondContact O-N 3.32Å
366M91.9Very high91Very high15 Ų1561.2 Ų61.27%0.07432%0.319CS..PPolyproline II helixtrans-58.7124.1177.7-174.1-167.7-48.400111.5F363 L368 I374 P375 E378 F379 Q544F363-M366 HydrophobicContact CD1-CE 3.8Å; F363-M366 HydrophobicContact CE1-CE 4.4Å; M366-L368 HydrophobicContact SD-CD2 4.31Å; M366-I374 HydrophobicContact SD-CG2 3.81Å; M366-P375 HydrophobicContact CG-CG 4.41Å; M366-E378 WeakPolarHBondContact CA-OE2 3.2Å; M366-E378 HydrophobicContact CG-CB 4.09Å; M366-E378 WeakPolarHBondContact CG-OE2 3.36Å; M366-F379 HydrophobicContact CE-CB 3.87Å; M366-F379 HydrophobicContact CE-CD2 3.93Å; M366-F379 HydrophobicContact CE-CG 4.33Å; M366-F379 HydrophobicContact SD-CB 4.3Å; M366-F379 HydrophobicContact SD-CD2 4.43Å; M366-Q544 HydrophobicContact SD-CG 4.3Å
367R91.3Very high91.3Very high211 Ų21164.1 Ų64.180%0.79633%0.333SS*.PPolyproline II helixtrans-92.2124.3176.8-63.4-174.1-179.9-154.1-1.2109D365 P375D365-R367 PolarHBondContact O-N 3.32Å; R367-P375 WeakPolarHBondContact O-CD 3.38Å; R367-P375 WeakPolarHBondContact O-CG 3.41Å
368L92.4Very high91.6Very high38 Ų3865.3 Ų65.320%0.19934%0.336CS..PPolyproline II helixtrans-82.4144.3172.6-54.1-178000109.9M366 N372 G373 I374 K543 Q544 I547M366-L368 HydrophobicContact SD-CD2 4.31Å; L368-N372 HydrophobicContact CD1-CB 4.31Å; L368-G373 WeakPolarHBondContact CA-O 3.45Å; L368-G373 WeakPolarHBondContact CB-O 3.4Å; L368-G373 WeakPolarHBondContact CD2-O 3.39Å; L368-I374 HydrophobicContact CD2-CB 4.41Å; L368-I374 HydrophobicContact CD2-CG1 3.85Å; L368-K543 HydrophobicContact CD1-CD 4.28Å; L368-Q544 HydrophobicContact CD2-CG 4.33Å; L368-I547 HydrophobicContact CD1-CD1 3.51Å
369D90.1Very high92.1Very high85 Ų8562 Ų6246%0.45532%0.317SS..PPolyproline II helixtrans-68169171-59.4-46.5000111.4D371 N372 G373 T425D369-D371 VanDerWaalsContact C-N 3.26Å; D369-D371 PolarHBondContact O-N 3.18Å; D369-D371 VanDerWaalsContact O-N 3.13Å; D369-N372 VanDerWaalsContact O-CA 3.3Å; D369-N372 WeakPolarHBondContact O-CA 3.4Å; D369-N372 PolarHBondContact O-N 3.21Å; D369-G373 PolarHBondContact N-O 2.9Å; D369-T425 WeakPolarHBondContact OD2-CG2 3.27Å
370D81.2Confident92.4Very high170 Ų17061.5 Ų61.591%0.90931%0.314SS*.THydrogen-bonded Turntrans-52.4-38.4-174.5-67.9-42.9000113.8N372D370-N372 PolarHBondContact O-N 2.64Å
371D86.4Confident92.7Very high156 Ų15658.9 Ų58.983%0.83429%0.292SS*.THydrogen-bonded Turntrans-8315176.7-70.2-47.7000113.9D369 G373D369-D371 VanDerWaalsContact C-N 3.26Å; D369-D371 PolarHBondContact O-N 3.18Å; D369-D371 VanDerWaalsContact O-N 3.13Å; D371-G373 VanDerWaalsContact C-N 3.29Å
372N91.9Very high92.9Very high73 Ų7355.3 Ų55.339%0.3928%0.276SS..  trans62.930.1-165.7-53.2-99.2000113.6L368 D369 D370 I374 Q427 I547L368-N372 HydrophobicContact CD1-CB 4.31Å; D369-N372 VanDerWaalsContact O-CA 3.3Å; D369-N372 WeakPolarHBondContact O-CA 3.4Å; D369-N372 PolarHBondContact O-N 3.21Å; D370-N372 PolarHBondContact O-N 2.64Å; N372-I374 PolarHBondContact O-N 3.5Å; N372-Q427 PolarHBondContact O-NE2 3.01Å; N372-I547 HydrophobicContact CB-CD1 3.89Å; N372-I547 HydrophobicContact CB-CG1 4.28Å
373G93.8Very high92.9Very high6 Ų652.5 Ų52.56%0.06227%0.265CS..  trans-55129.8171.700000110.9L368 D369 D371 P375L368-G373 WeakPolarHBondContact CA-O 3.45Å; L368-G373 WeakPolarHBondContact CB-O 3.4Å; L368-G373 WeakPolarHBondContact CD2-O 3.39Å; D369-G373 PolarHBondContact N-O 2.9Å; D371-G373 VanDerWaalsContact C-N 3.29Å; G373-P375 WeakPolarHBondContact O-CD 3.27Å
374I97.3Very high92.9Very high0 Ų058.4 Ų58.40%029%0.288CS..  trans-97.1112.1178.1-64.4170.3000107.6M366 L368 N372 S376 F379 T425 L426 Q544 I547 L548M366-I374 HydrophobicContact SD-CG2 3.81Å; L368-I374 HydrophobicContact CD2-CB 4.41Å; L368-I374 HydrophobicContact CD2-CG1 3.85Å; N372-I374 PolarHBondContact O-N 3.5Å; I374-S376 PolarHBondContact O-N 3.02Å; I374-F379 HydrophobicContact CG2-CB 3.78Å; I374-F379 HydrophobicContact CG2-CD2 3.6Å; I374-F379 HydrophobicContact CG2-CE2 4.48Å; I374-F379 HydrophobicContact CG2-CG 3.94Å; I374-T425 CarbonylContact O-C 3.59Å; I374-T425 WeakPolarHBondContact O-CA 3.42Å; I374-T425 WeakPolarHBondContact O-CB 3.34Å; I374-L426 HydrophobicContact CB-CB 4.47Å; I374-L426 HydrophobicContact CB-CD1 4.2Å; I374-L426 HydrophobicContact CB-CG 4.32Å; I374-L426 HydrophobicContact CG2-CD1 3.64Å; I374-L426 HydrophobicContact CG2-CG 4.03Å; I374-L426 PolarHBondContact O-N 3.12Å; I374-Q544 HydrophobicContact CD1-CB 4.25Å; I374-I547 HydrophobicContact CD1-CB 4.06Å; I374-I547 HydrophobicContact CD1-CG2 3.8Å; I374-I547 HydrophobicContact CG1-CG2 4.25Å; I374-L548 HydrophobicContact CD1-CD1 4.38Å; I374-L548 HydrophobicContact CD1-CD2 3.87Å; I374-L548 HydrophobicContact CD1-CG 3.73Å
375P96.8Very high92.9Very high20 Ų2057.2 Ų57.213%0.1328%0.281CS..BIsolated β-bridgetrans-59.5122.8-177.3-23.833.2000111.9M366 R367 G373 Q377 E378 F379 P424M366-P375 HydrophobicContact CG-CG 4.41Å; R367-P375 WeakPolarHBondContact O-CD 3.38Å; R367-P375 WeakPolarHBondContact O-CG 3.41Å; G373-P375 WeakPolarHBondContact O-CD 3.27Å; P375-Q377 VanDerWaalsContact C-N 3.33Å; P375-Q377 PolarHBondContact O-N 2.92Å; P375-E378 HydrophobicContact CB-CB 4.2Å; P375-E378 HydrophobicContact CB-CG 4.16Å; P375-E378 PolarHBondContact O-N 3.47Å; P375-F379 WeakPolarHBondContact O-CB 3.33Å; P375-F379 PolarHBondContact O-N 2.87Å; P375-F379 VanDerWaalsContact O-N 3.1Å; P375-P424 WeakPolarHBondContact CA-O 3.35Å
376S95.9Very high92.6Very high2 Ų253.5 Ų53.51%0.01426%0.261CS..Hα-helixtrans-57.4-44.9-170.6-620000112.4I374 L380 F423 P424 T425 L426I374-S376 PolarHBondContact O-N 3.02Å; S376-L380 WeakPolarHBondContact O-CD1 3.4Å; S376-L380 WeakPolarHBondContact O-CG 3.42Å; S376-L380 PolarHBondContact O-N 2.64Å; S376-F423 WeakPolarHBondContact CB-O 3.3Å; S376-F423 PolarHBondContact OG-O 3.11Å; S376-P424 PolarHBondContact N-O 3.24Å; S376-P424 PolarHBondContact OG-O 3.35Å; S376-T425 WeakPolarHBondContact OG-CA 3.32Å; S376-T425 PolarHBondContact OG-N 3.27Å; S376-T425 PolarHBondContact OG-O 3.35Å; S376-L426 PolarHBondContact OG-N 3.23Å
377Q94.9Very high92.3Very high68 Ų6853 Ų5332%0.31826%0.259SS..Hα-helixtrans-73.8-49.7-175.6-170.55555.300111.5P375 F379 L380 D381 L416P375-Q377 VanDerWaalsContact C-N 3.33Å; P375-Q377 PolarHBondContact O-N 2.92Å; Q377-F379 VanDerWaalsContact C-N 3.28Å; Q377-F379 PolarHBondContact O-N 3.09Å; Q377-L380 PolarHBondContact O-N 3.37Å; Q377-L380 VanDerWaalsContact O-N 3.13Å; Q377-D381 WeakPolarHBondContact CG-OD2 3.3Å; Q377-D381 PolarHBondContact NE2-OD1 2.9Å; Q377-D381 PolarHBondContact NE2-OD2 3.2Å; Q377-D381 PolarHBondContact O-N 3.46Å; Q377-L416 HydrophobicContact CB-CD2 4.32Å
378E95.4Very high91.9Very high85 Ų8546.4 Ų46.440%0.39724%0.243SC..Hα-helixtrans-59.6-36.4179.7-60.8-176.1-173.800112.8M366 P375 S382M366-E378 WeakPolarHBondContact CA-OE2 3.2Å; M366-E378 HydrophobicContact CG-CB 4.09Å; M366-E378 WeakPolarHBondContact CG-OE2 3.36Å; P375-E378 HydrophobicContact CB-CB 4.2Å; P375-E378 HydrophobicContact CB-CG 4.16Å; P375-E378 PolarHBondContact O-N 3.47Å; E378-S382 VanDerWaalsContact O-CB 3.28Å; E378-S382 WeakPolarHBondContact O-CB 3.39Å; E378-S382 PolarHBondContact O-N 3.39Å; E378-S382 PolarHBondContact O-OG 3.33Å
379F96.5Very high91.3Very high1 Ų145 Ų450%0.00424%0.236CC..Hα-helixtrans-68.7-44.5175.2-176.3-84.4000112.3F363 M366 I374 P375 Q377 D381 S382 C383 L426 L449 L452 L456 Q544 L548F363-F379 HydrophobicContact CD1-CD2 4.48Å; F363-F379 HydrophobicContact CE1-CD2 4.08Å; F363-F379 HydrophobicContact CE1-CE2 4.08Å; M366-F379 HydrophobicContact CE-CB 3.87Å; M366-F379 HydrophobicContact CE-CD2 3.93Å; M366-F379 HydrophobicContact CE-CG 4.33Å; M366-F379 HydrophobicContact SD-CB 4.3Å; M366-F379 HydrophobicContact SD-CD2 4.43Å; I374-F379 HydrophobicContact CG2-CB 3.78Å; I374-F379 HydrophobicContact CG2-CD2 3.6Å; I374-F379 HydrophobicContact CG2-CE2 4.48Å; I374-F379 HydrophobicContact CG2-CG 3.94Å; P375-F379 WeakPolarHBondContact O-CB 3.33Å; P375-F379 PolarHBondContact O-N 2.87Å; P375-F379 VanDerWaalsContact O-N 3.1Å; Q377-F379 VanDerWaalsContact C-N 3.28Å; Q377-F379 PolarHBondContact O-N 3.09Å; F379-D381 VanDerWaalsContact C-N 3.34Å; F379-S382 PolarHBondContact O-N 3.07Å; F379-C383 WeakPolarHBondContact CE1-SG 3.37Å; F379-C383 PolarHBondContact O-N 3.49Å; F379-C383 PolarHBondContact O-SG 3.26Å; F379-L426 HydrophobicContact CB-CD1 4.15Å; F379-L426 HydrophobicContact CD1-CD1 3.6Å; F379-L426 HydrophobicContact CD2-CD1 4Å; F379-L426 HydrophobicContact CE1-CD1 3.88Å; F379-L426 HydrophobicContact CE2-CD1 4.28Å; F379-L426 HydrophobicContact CG-CD1 3.65Å; F379-L426 HydrophobicContact CZ-CD1 4.21Å; F379-L449 HydrophobicContact CE1-CD1 4.19Å; F379-L452 HydrophobicContact CE1-CD2 4.12Å; F379-L456 HydrophobicContact CE1-CD1 4.1Å; F379-L456 HydrophobicContact CE2-CD1 4.4Å; F379-L456 HydrophobicContact CZ-CD1 3.54Å; F379-Q544 HydrophobicContact CE2-CB 4.39Å; F379-L548 HydrophobicContact CE2-CD1 4.1Å; F379-L548 HydrophobicContact CZ-CD1 3.85Å
380L95.8Very high90.7Very high1 Ų142.1 Ų42.11%0.00522%0.22CC..Hα-helixtrans-66.5-36.6178.4-69.5171.2000111.9S376 Q377 C383 Y384 I409 I412 Q413 L416 L452S376-L380 WeakPolarHBondContact O-CD1 3.4Å; S376-L380 WeakPolarHBondContact O-CG 3.42Å; S376-L380 PolarHBondContact O-N 2.64Å; Q377-L380 PolarHBondContact O-N 3.37Å; Q377-L380 VanDerWaalsContact O-N 3.13Å; L380-C383 WeakPolarHBondContact O-CB 3.48Å; L380-C383 PolarHBondContact O-N 2.89Å; L380-Y384 WeakPolarHBondContact O-CB 3.18Å; L380-Y384 PolarHBondContact O-N 2.68Å; L380-I409 HydrophobicContact CB-CG2 4.48Å; L380-I409 HydrophobicContact CD2-CB 4.43Å; L380-I409 HydrophobicContact CD2-CG1 4.44Å; L380-I409 HydrophobicContact CD2-CG2 4.13Å; L380-I412 HydrophobicContact CD1-CB 4.29Å; L380-I412 HydrophobicContact CD1-CG2 3.99Å; L380-I412 HydrophobicContact CD2-CB 3.92Å; L380-I412 HydrophobicContact CD2-CD1 3.88Å; L380-I412 HydrophobicContact CD2-CG2 4.04Å; L380-I412 HydrophobicContact CG-CG2 4.47Å; L380-Q413 HydrophobicContact CD1-CB 4.07Å; L380-Q413 HydrophobicContact CD1-CG 4.36Å; L380-L416 HydrophobicContact CD1-CD2 4.24Å; L380-L452 HydrophobicContact CD2-CD2 4.31Å
381D94.8Very high90.6Very high44 Ų4436.8 Ų36.824%0.23519%0.192CC..Hα-helixtrans-69.7-41174.9-67-33.1000111.8H361 Q377 F379 C383 Y384 A385H361-D381 HydrophobicContact CB-CB 4.12Å; Q377-D381 WeakPolarHBondContact CG-OD2 3.3Å; Q377-D381 PolarHBondContact NE2-OD1 2.9Å; Q377-D381 PolarHBondContact NE2-OD2 3.2Å; Q377-D381 PolarHBondContact O-N 3.46Å; F379-D381 VanDerWaalsContact C-N 3.34Å; D381-C383 VanDerWaalsContact C-N 3.3Å; D381-C383 PolarHBondContact O-N 3.32Å; D381-Y384 PolarHBondContact O-N 2.99Å; D381-A385 WeakPolarHBondContact O-CB 3.25Å; D381-A385 PolarHBondContact O-N 2.92Å
382S94.5Very high89.9Confident2 Ų235.1 Ų35.11%0.01418%0.177CC..Hα-helixtrans-62.3-36.1172.4-59.70000112.2F363 E378 F379F363-S382 VanDerWaalsContact CE1-CB 3.48Å; E378-S382 VanDerWaalsContact O-CB 3.28Å; E378-S382 WeakPolarHBondContact O-CB 3.39Å; E378-S382 PolarHBondContact O-N 3.39Å; E378-S382 PolarHBondContact O-OG 3.33Å; F379-S382 PolarHBondContact O-N 3.07Å
383C93.6Very high88.8Confident0 Ų032.4 Ų32.40%016%0.163CC..Hα-helixtrans-64.9-52.1169.8-66.30000110.8F379 L380 D381 A385 I386 F405 I409F379-C383 WeakPolarHBondContact CE1-SG 3.37Å; F379-C383 PolarHBondContact O-N 3.49Å; F379-C383 PolarHBondContact O-SG 3.26Å; L380-C383 WeakPolarHBondContact O-CB 3.48Å; L380-C383 PolarHBondContact O-N 2.89Å; D381-C383 VanDerWaalsContact C-N 3.3Å; D381-C383 PolarHBondContact O-N 3.32Å; C383-A385 PolarHBondContact O-N 3.23Å; C383-I386 VanDerWaalsContact O-CG2 3.26Å; C383-I386 WeakPolarHBondContact O-CG2 3.19Å; C383-I386 PolarHBondContact O-N 3.14Å; C383-F405 HydrophobicContact CB-CE1 4.06Å; C383-F405 HydrophobicContact CB-CZ 4.23Å; C383-F405 WeakPolarHBondContact O-CE1 3.5Å; C383-I409 HydrophobicContact CB-CD1 3.72Å; C383-I409 HydrophobicContact CB-CG1 4.09Å
384Y92.1Very high87.5Confident128 Ų12833.1 Ų33.150%0.50217%0.17SC..Hα-helixtrans-63.6-29.3-175.7-163.5-96.3000112.8L380 D381 I386 V387 V406 I409L380-Y384 WeakPolarHBondContact O-CB 3.18Å; L380-Y384 PolarHBondContact O-N 2.68Å; D381-Y384 PolarHBondContact O-N 2.99Å; Y384-I386 PolarHBondContact O-N 3.4Å; Y384-I386 VanDerWaalsContact O-N 3.15Å; Y384-V387 HydrophobicContact CD2-CG2 4.22Å; Y384-V387 HydrophobicContact CE2-CG2 4.44Å; Y384-V387 WeakPolarHBondContact O-CB 3.16Å; Y384-V387 VanDerWaalsContact O-CG2 3.28Å; Y384-V387 WeakPolarHBondContact O-CG2 3.31Å; Y384-V387 PolarHBondContact O-N 3.1Å; Y384-V387 VanDerWaalsContact O-N 3.07Å; Y384-V406 HydrophobicContact CD2-CG2 4.46Å; Y384-V406 HydrophobicContact CE2-CG1 4.16Å; Y384-V406 HydrophobicContact CE2-CG2 4.1Å; Y384-I409 HydrophobicContact CD2-CD1 4.25Å
385A91.8Very high86Confident14 Ų1436.6 Ų36.612%0.11619%0.194CC..THydrogen-bonded Turntrans-58.3-23.8177.100000114.3F355 M359 D381 C383 V387 P388F355-A385 VanDerWaalsContact CZ-O 3.3Å; F355-A385 WeakPolarHBondContact CZ-O 3.38Å; M359-A385 HydrophobicContact CE-CB 3.58Å; D381-A385 WeakPolarHBondContact O-CB 3.25Å; D381-A385 PolarHBondContact O-N 2.92Å; C383-A385 PolarHBondContact O-N 3.23Å; A385-V387 VanDerWaalsContact C-N 3.34Å; A385-P388 WeakPolarHBondContact O-CD 3.33Å
386I86.5Confident84.3Confident5 Ų541.4 Ų41.43%0.02622%0.224CC..THydrogen-bonded Turntrans-75.9-19.3176.7-155.461.9000113.8F355 F356 C383 Y384 P388 V389 L390 F405 L459F355-I386 HydrophobicContact CE1-CD1 3.6Å; F355-I386 HydrophobicContact CZ-CD1 4.04Å; F356-I386 HydrophobicContact CE1-CD1 4.4Å; C383-I386 VanDerWaalsContact O-CG2 3.26Å; C383-I386 WeakPolarHBondContact O-CG2 3.19Å; C383-I386 PolarHBondContact O-N 3.14Å; Y384-I386 PolarHBondContact O-N 3.4Å; Y384-I386 VanDerWaalsContact O-N 3.15Å; I386-P388 VanDerWaalsContact C-CD 3.48Å; I386-V389 HydrophobicContact CD1-CB 4.45Å; I386-V389 HydrophobicContact CD1-CG2 4.4Å; I386-V389 WeakPolarHBondContact O-CB 3.39Å; I386-V389 PolarHBondContact O-N 3.49Å; I386-L390 HydrophobicContact CG2-CD1 4.29Å; I386-L390 PolarHBondContact O-N 3.2Å; I386-F405 HydrophobicContact CG2-CD1 4.46Å; I386-F405 HydrophobicContact CG2-CE1 3.73Å; I386-F405 HydrophobicContact CG2-CZ 4.09Å; I386-L459 HydrophobicContact CD1-CD2 4.4Å; I386-L459 HydrophobicContact CG1-CD2 3.91Å
387V85.3Confident82.6Confident4 Ų443.9 Ų43.92%0.02424%0.238CC..Hα-helixtrans-57.9-39.7-170.5176.20000113.6Y384 A385 V389 L390 D391 K402 V406Y384-V387 HydrophobicContact CD2-CG2 4.22Å; Y384-V387 HydrophobicContact CE2-CG2 4.44Å; Y384-V387 WeakPolarHBondContact O-CB 3.16Å; Y384-V387 VanDerWaalsContact O-CG2 3.28Å; Y384-V387 WeakPolarHBondContact O-CG2 3.31Å; Y384-V387 PolarHBondContact O-N 3.1Å; Y384-V387 VanDerWaalsContact O-N 3.07Å; A385-V387 VanDerWaalsContact C-N 3.34Å; V387-V389 VanDerWaalsContact C-N 3.26Å; V387-V389 PolarHBondContact O-N 2.9Å; V387-L390 WeakPolarHBondContact O-CB 3.27Å; V387-L390 PolarHBondContact O-N 3.37Å; V387-L390 VanDerWaalsContact O-N 3.12Å; V387-D391 PolarHBondContact O-N 3.45Å; V387-K402 HydrophobicContact CG1-CD 3.79Å; V387-K402 VanDerWaalsContact CG1-CE 3.47Å; V387-K402 HydrophobicContact CG1-CG 4.13Å; V387-V406 HydrophobicContact CG1-CG2 4.28Å; V387-V406 HydrophobicContact CG2-CG2 3.72Å
388P83.4Confident81.4Confident73 Ų7341.7 Ų41.747%0.47423%0.228SC..Hα-helixtrans-61.4-28.9175.1-24.536.1000114.2A385 I386 K392A385-P388 WeakPolarHBondContact O-CD 3.33Å; I386-P388 VanDerWaalsContact C-CD 3.48Å; P388-K392 WeakPolarHBondContact O-CG 3.34Å; P388-K392 PolarHBondContact O-N 2.66Å; P388-K392 VanDerWaalsContact O-N 3.12Å
389V79.9Confident80.2Confident7 Ų739.1 Ų39.14%0.04222%0.221CC..Hα-helixtrans-69.1-46.9172.9178.80000109.5F355 I386 V387 D391 K392 L393 L514F355-V389 HydrophobicContact CD1-CG2 3.69Å; F355-V389 HydrophobicContact CD2-CG2 3.64Å; F355-V389 HydrophobicContact CE1-CG2 3.61Å; F355-V389 HydrophobicContact CE2-CG2 3.54Å; F355-V389 HydrophobicContact CG-CG2 3.71Å; F355-V389 HydrophobicContact CZ-CG2 3.54Å; I386-V389 HydrophobicContact CD1-CB 4.45Å; I386-V389 HydrophobicContact CD1-CG2 4.4Å; I386-V389 WeakPolarHBondContact O-CB 3.39Å; I386-V389 PolarHBondContact O-N 3.49Å; V387-V389 VanDerWaalsContact C-N 3.26Å; V387-V389 PolarHBondContact O-N 2.9Å; V389-D391 PolarHBondContact O-N 3.1Å; V389-K392 PolarHBondContact O-N 3.11Å; V389-L393 HydrophobicContact CG1-CD1 4.01Å; V389-L393 HydrophobicContact CG1-CG 4.04Å; V389-L393 WeakPolarHBondContact O-CG 3.46Å; V389-L393 PolarHBondContact O-N 2.77Å; V389-L514 HydrophobicContact CG1-CD2 3.93Å; V389-L514 HydrophobicContact CG2-CD2 4.22Å
390L77.8Confident78.9Confident25 Ų2542.4 Ų42.413%0.13124%0.242CC..Hα-helixtrans-57.4-35.6176.9-58.2178.9000112.4I386 V387I386-L390 HydrophobicContact CG2-CD1 4.29Å; I386-L390 PolarHBondContact O-N 3.2Å; V387-L390 WeakPolarHBondContact O-CB 3.27Å; V387-L390 PolarHBondContact O-N 3.37Å; V387-L390 VanDerWaalsContact O-N 3.12Å
391D77.5Confident77.9Confident58 Ų5845.4 Ų45.431%0.3126%0.26SS..Hα-helixtrans-65.8-46.7172.5-74.9-51.2000112.8V387 V389 L393 G394 S395 K402V387-D391 PolarHBondContact O-N 3.45Å; V389-D391 PolarHBondContact O-N 3.1Å; D391-L393 VanDerWaalsContact C-N 3.33Å; D391-L393 PolarHBondContact O-N 2.95Å; D391-G394 PolarHBondContact O-N 2.84Å; D391-S395 PolarHBondContact O-N 3.38Å; D391-S395 VanDerWaalsContact O-N 3.11Å; D391-K402 WeakPolarHBondContact OD1-CD 3.46Å; D391-K402 IonicContact OD1-NZ 3.02Å; D391-K402 PolarHBondContact OD1-NZ 3.28Å; D391-K402 IonicContact OD2-NZ 2.89Å; D391-K402 PolarHBondContact OD2-NZ 3.31Å
392K73.1Confident77.3Confident121 Ų12146.1 Ų46.153%0.52626%0.261SS..Hα-helixtrans-63.3-35.1176.9-72.8-168.5-169.61790112.7P388 V389 G394 A513 V515P388-K392 WeakPolarHBondContact O-CG 3.34Å; P388-K392 PolarHBondContact O-N 2.66Å; P388-K392 VanDerWaalsContact O-N 3.12Å; V389-K392 PolarHBondContact O-N 3.11Å; K392-G394 VanDerWaalsContact C-N 3.29Å; K392-G394 PolarHBondContact O-N 3.48Å; K392-A513 HydrophobicContact CB-CB 3.67Å; K392-A513 HydrophobicContact CD-CB 3.83Å; K392-A513 WeakPolarHBondContact CD-O 3.47Å; K392-A513 HydrophobicContact CG-CB 4.46Å; K392-A513 PolarHBondContact NZ-O 2.93Å; K392-V515 PolarHBondContact NZ-O 3.45Å
393L67.2Low76.7Confident17 Ų1752.8 Ų52.89%0.08929%0.294CS..Hα-helixtrans-72.9-17.6-178.5-64.9-173.6000113.9V389 D391 F398 P505 F510 A513V389-L393 HydrophobicContact CG1-CD1 4.01Å; V389-L393 HydrophobicContact CG1-CG 4.04Å; V389-L393 WeakPolarHBondContact O-CG 3.46Å; V389-L393 PolarHBondContact O-N 2.77Å; D391-L393 VanDerWaalsContact C-N 3.33Å; D391-L393 PolarHBondContact O-N 2.95Å; L393-F398 HydrophobicContact CB-CD2 4.2Å; L393-F398 HydrophobicContact CB-CE2 4.14Å; L393-F398 WeakPolarHBondContact O-CE2 3.42Å; L393-P505 HydrophobicContact CB-CG 4.27Å; L393-P505 HydrophobicContact CD2-CG 3.99Å; L393-F510 HydrophobicContact CD1-CD2 3.84Å; L393-F510 HydrophobicContact CD1-CE2 3.87Å; L393-F510 HydrophobicContact CD2-CB 4.25Å; L393-F510 HydrophobicContact CD2-CD2 3.49Å; L393-F510 VanDerWaalsContact CD2-CD2 3.49Å; L393-F510 HydrophobicContact CD2-CE2 4.21Å; L393-F510 HydrophobicContact CD2-CG 4.24Å; L393-F510 HydrophobicContact CG-CD2 4.33Å; L393-A513 HydrophobicContact CD2-CB 3.62Å
394G66.8Low76.2Confident20 Ų2056.5 Ų56.521%0.20631%0.314CS..Hα-helixtrans15376.417300000113.3D391 K392 T396 V397 F398D391-G394 PolarHBondContact O-N 2.84Å; K392-G394 VanDerWaalsContact C-N 3.29Å; K392-G394 PolarHBondContact O-N 3.48Å; G394-T396 PolarHBondContact O-N 2.82Å; G394-V397 WeakPolarHBondContact O-CG2 3.45Å; G394-V397 PolarHBondContact O-N 2.99Å; G394-F398 PolarHBondContact O-N 2.85Å
395S66.1Low75.9Confident74 Ų7451 Ų5152%0.51729%0.293SS..THydrogen-bonded Turntrans-44.6-35-174.859.80000116.4D391 A399D391-S395 PolarHBondContact O-N 3.38Å; D391-S395 VanDerWaalsContact O-N 3.11Å; S395-A399 WeakPolarHBondContact O-CB 3.47Å
396T60.9Low75.8Confident121 Ų12151 Ų5174%0.74229%0.292SS*.THydrogen-bonded Turntrans-83.2-35.8177.5-49.90000113.6G394 A399G394-T396 PolarHBondContact O-N 2.82Å; T396-A399 WeakPolarHBondContact O-CB 3.47Å
397V60.8Low76Confident53 Ų5352.1 Ų52.132%0.32130%0.304SS..THydrogen-bonded Turntrans-95-29.4-169.9-64.60000112.9G394 A399 A503G394-V397 WeakPolarHBondContact O-CG2 3.45Å; G394-V397 PolarHBondContact O-N 2.99Å; V397-A399 VanDerWaalsContact C-N 3.32Å; V397-A503 HydrophobicContact CB-CB 3.96Å; V397-A503 HydrophobicContact CG1-CB 3.74Å; V397-A503 HydrophobicContact CG2-CB 3.94Å
398F69.3Low76.4Confident23 Ų2352 Ų5210%0.10130%0.303CS..SBendtrans-88.32.4166.7-65.4-77.6000112.7L393 G394 P400 V401 K402L393-F398 HydrophobicContact CB-CD2 4.2Å; L393-F398 HydrophobicContact CB-CE2 4.14Å; L393-F398 WeakPolarHBondContact O-CE2 3.42Å; G394-F398 PolarHBondContact O-N 2.85Å; F398-P400 VanDerWaalsContact C-CD 3.48Å; F398-V401 HydrophobicContact CD1-CG2 4.44Å; F398-V401 PolarHBondContact O-N 3.2Å; F398-V401 VanDerWaalsContact O-N 3.07Å; F398-K402 PolarHBondContact O-N 3.18Å
399A70.6Confident76.9Confident31 Ų3148.7 Ų48.726%0.25628%0.281SS..Hα-helixtrans-50.2-45.4176.400000113.7S395 T396 V397 V401 K402 M403S395-A399 WeakPolarHBondContact O-CB 3.47Å; T396-A399 WeakPolarHBondContact O-CB 3.47Å; V397-A399 VanDerWaalsContact C-N 3.32Å; A399-V401 PolarHBondContact O-N 2.83Å; A399-K402 PolarHBondContact O-N 3.02Å; A399-M403 VanDerWaalsContact O-CB 3.29Å; A399-M403 WeakPolarHBondContact O-CB 3.44Å; A399-M403 WeakPolarHBondContact O-CG 3.49Å; A399-M403 PolarHBondContact O-N 3.34Å
400P68.4Low77.5Confident69 Ų6954.1 Ų54.145%0.44830%0.304SS..Hα-helixtrans-63.9-39.8178.4-21.134.4000112.5F398 M403 D404 V496F398-P400 VanDerWaalsContact C-CD 3.48Å; P400-M403 PolarHBondContact O-N 3.41Å; P400-D404 PolarHBondContact O-N 3.14Å; P400-V496 HydrophobicContact CG-CG1 4.49Å
401V75.1Confident78.2Confident64 Ų6455 Ų5539%0.38831%0.307SS..Hα-helixtrans-66.3-47.1179.1-175.30000110.4F398 A399 M403 D404 F405F398-V401 HydrophobicContact CD1-CG2 4.44Å; F398-V401 PolarHBondContact O-N 3.2Å; F398-V401 VanDerWaalsContact O-N 3.07Å; A399-V401 PolarHBondContact O-N 2.83Å; V401-M403 VanDerWaalsContact C-N 3.34Å; V401-M403 PolarHBondContact O-N 3.45Å; V401-D404 PolarHBondContact O-N 3.07Å; V401-F405 VanDerWaalsContact O-CB 3.28Å; V401-F405 WeakPolarHBondContact O-CB 3.35Å; V401-F405 PolarHBondContact O-N 3.47Å
402K82Confident79.1Confident59 Ų5952.2 Ų52.226%0.25729%0.292SS..Hα-helixtrans-61.6-40.6174.4172.4173.3166.7172.90111.9V387 D391 F398 A399 V406V387-K402 HydrophobicContact CG1-CD 3.79Å; V387-K402 VanDerWaalsContact CG1-CE 3.47Å; V387-K402 HydrophobicContact CG1-CG 4.13Å; D391-K402 WeakPolarHBondContact OD1-CD 3.46Å; D391-K402 IonicContact OD1-NZ 3.02Å; D391-K402 PolarHBondContact OD1-NZ 3.28Å; D391-K402 IonicContact OD2-NZ 2.89Å; D391-K402 PolarHBondContact OD2-NZ 3.31Å; F398-K402 PolarHBondContact O-N 3.18Å; A399-K402 PolarHBondContact O-N 3.02Å; K402-V406 HydrophobicContact CG-CG2 4.21Å; K402-V406 VanDerWaalsContact O-CB 3.27Å; K402-V406 WeakPolarHBondContact O-CB 3.47Å; K402-V406 VanDerWaalsContact O-CG2 3.31Å; K402-V406 WeakPolarHBondContact O-CG2 3.22Å; K402-V406 PolarHBondContact O-N 3Å
403M82Confident80.1Confident142 Ų14249.6 Ų49.670%0.728%0.282SS*.Hα-helixtrans-65.7-42.5179.6-79.6176.962.400112.6A399 P400 V401 G407A399-M403 VanDerWaalsContact O-CB 3.29Å; A399-M403 WeakPolarHBondContact O-CB 3.44Å; A399-M403 WeakPolarHBondContact O-CG 3.49Å; A399-M403 PolarHBondContact O-N 3.34Å; P400-M403 PolarHBondContact O-N 3.41Å; V401-M403 VanDerWaalsContact C-N 3.34Å; V401-M403 PolarHBondContact O-N 3.45Å; M403-G407 WeakPolarHBondContact O-CA 3.29Å; M403-G407 PolarHBondContact O-N 2.85Å
404D83.1Confident81.3Confident78 Ų7855.6 Ų55.642%0.41731%0.309SS..Hα-helixtrans-64.2-52.8173.4177.371.7000111.2P400 V401 V406 G407 N408P400-D404 PolarHBondContact O-N 3.14Å; V401-D404 PolarHBondContact O-N 3.07Å; D404-V406 PolarHBondContact O-N 3.37Å; D404-G407 CarbonylContact O-C 3.57Å; D404-G407 WeakPolarHBondContact O-CA 3.38Å; D404-G407 PolarHBondContact O-N 3.44Å; D404-N408 PolarHBondContact O-N 2.95Å; D404-N408 PolarHBondContact O-ND2 3.25Å; D404-N408 PolarHBondContact OD1-ND2 2.84Å; D404-N408 PolarHBondContact OD2-ND2 3.44Å
405F86.7Confident82.5Confident13 Ų1356.2 Ų56.26%0.05731%0.307CS..Hα-helixtrans-58.1-48.4-176.6-161.9-93.3000112C383 I386 V401 N408 I409 L452 L456C383-F405 HydrophobicContact CB-CE1 4.06Å; C383-F405 HydrophobicContact CB-CZ 4.23Å; C383-F405 WeakPolarHBondContact O-CE1 3.5Å; I386-F405 HydrophobicContact CG2-CD1 4.46Å; I386-F405 HydrophobicContact CG2-CE1 3.73Å; I386-F405 HydrophobicContact CG2-CZ 4.09Å; V401-F405 VanDerWaalsContact O-CB 3.28Å; V401-F405 WeakPolarHBondContact O-CB 3.35Å; V401-F405 PolarHBondContact O-N 3.47Å; F405-N408 PolarHBondContact O-N 2.82Å; F405-I409 HydrophobicContact CD1-CD1 3.77Å; F405-I409 HydrophobicContact CE1-CD1 3.82Å; F405-I409 WeakPolarHBondContact O-CG1 3.34Å; F405-I409 PolarHBondContact O-N 3.32Å; F405-L452 HydrophobicContact CD1-CD1 4.23Å; F405-L452 HydrophobicContact CD2-CD1 3.73Å; F405-L452 HydrophobicContact CE1-CD1 4.03Å; F405-L452 HydrophobicContact CE2-CD1 3.5Å; F405-L452 HydrophobicContact CG-CD1 4.09Å; F405-L452 HydrophobicContact CZ-CD1 3.66Å; F405-L456 HydrophobicContact CE2-CD2 4.14Å; F405-L456 HydrophobicContact CE2-CG 4.18Å; F405-L456 HydrophobicContact CZ-CD2 3.86Å; F405-L456 HydrophobicContact CZ-CG 4.29Å
406V89.8Confident83.8Confident15 Ų1553.1 Ų53.19%0.09128%0.284CS..Hα-helixtrans-69.9-32175.1173.70000112.1Y384 V387 K402 D404 K410Y384-V406 HydrophobicContact CD2-CG2 4.46Å; Y384-V406 HydrophobicContact CE2-CG1 4.16Å; Y384-V406 HydrophobicContact CE2-CG2 4.1Å; V387-V406 HydrophobicContact CG1-CG2 4.28Å; V387-V406 HydrophobicContact CG2-CG2 3.72Å; K402-V406 HydrophobicContact CG-CG2 4.21Å; K402-V406 VanDerWaalsContact O-CB 3.27Å; K402-V406 WeakPolarHBondContact O-CB 3.47Å; K402-V406 VanDerWaalsContact O-CG2 3.31Å; K402-V406 WeakPolarHBondContact O-CG2 3.22Å; K402-V406 PolarHBondContact O-N 3Å; D404-V406 PolarHBondContact O-N 3.37Å; V406-K410 HydrophobicContact CG1-CD 4.16Å; V406-K410 WeakPolarHBondContact O-CB 3.43Å; V406-K410 VanDerWaalsContact O-CG 3.27Å; V406-K410 WeakPolarHBondContact O-CG 3.43Å; V406-K410 PolarHBondContact O-N 3.2Å; V406-K410 VanDerWaalsContact O-N 3.08Å
407G90.6Very high85.3Confident27 Ų2752.8 Ų52.828%0.27828%0.276SS..Hα-helixtrans-64-42.2174.600000112.2M403 D404 K410 K411M403-G407 WeakPolarHBondContact O-CA 3.29Å; M403-G407 PolarHBondContact O-N 2.85Å; D404-G407 CarbonylContact O-C 3.57Å; D404-G407 WeakPolarHBondContact O-CA 3.38Å; D404-G407 PolarHBondContact O-N 3.44Å; G407-K410 PolarHBondContact O-N 2.92Å; G407-K411 WeakPolarHBondContact O-CG 3.46Å; G407-K411 PolarHBondContact O-N 3Å; G407-K411 VanDerWaalsContact O-N 3.14Å
408N92.6Very high86.8Confident2 Ų253.8 Ų53.81%0.01129%0.285CS..Hα-helixtrans-73.2-41.2179.3-68.5-36.2000112D404 F405 K410 K411 I412 A448 W451 L452D404-N408 PolarHBondContact O-N 2.95Å; D404-N408 PolarHBondContact O-ND2 3.25Å; D404-N408 PolarHBondContact OD1-ND2 2.84Å; D404-N408 PolarHBondContact OD2-ND2 3.44Å; F405-N408 PolarHBondContact O-N 2.82Å; N408-K410 VanDerWaalsContact C-N 3.27Å; N408-K410 PolarHBondContact O-N 2.97Å; N408-K411 PolarHBondContact O-N 2.93Å; N408-K411 PolarHBondContact OD1-NZ 2.99Å; N408-I412 WeakPolarHBondContact O-CG1 3.26Å; N408-I412 PolarHBondContact O-N 3.46Å; N408-A448 HydrophobicContact CB-CB 4.25Å; N408-A448 WeakPolarHBondContact CB-O 3.38Å; N408-W451 WeakPolarHBondContact ND2-CB 3.36Å; N408-L452 HydrophobicContact CB-CB 4.35Å
409I94.1Very high87.8Confident4 Ų455.9 Ų55.92%0.02130%0.297CS..Hα-helixtrans-51.9-47.7168-69.5166.7000110.7L380 C383 Y384 F405 K411 I412 Q413 L452L380-I409 HydrophobicContact CB-CG2 4.48Å; L380-I409 HydrophobicContact CD2-CB 4.43Å; L380-I409 HydrophobicContact CD2-CG1 4.44Å; L380-I409 HydrophobicContact CD2-CG2 4.13Å; C383-I409 HydrophobicContact CB-CD1 3.72Å; C383-I409 HydrophobicContact CB-CG1 4.09Å; Y384-I409 HydrophobicContact CD2-CD1 4.25Å; F405-I409 HydrophobicContact CD1-CD1 3.77Å; F405-I409 HydrophobicContact CE1-CD1 3.82Å; F405-I409 WeakPolarHBondContact O-CG1 3.34Å; F405-I409 PolarHBondContact O-N 3.32Å; I409-K411 PolarHBondContact O-N 2.93Å; I409-I412 PolarHBondContact O-N 3.44Å; I409-Q413 WeakPolarHBondContact O-CB 3.47Å; I409-Q413 PolarHBondContact O-N 3.42Å; I409-L452 HydrophobicContact CG1-CD1 4.04Å; I409-L452 HydrophobicContact CG1-CD2 4.02Å
410K93.1Very high88.7Confident120 Ų12057.7 Ų57.752%0.52231%0.306SS..Hα-helixtrans-63-39.3-179.1-77.8172179.3177.50113.9V406 G407 N408 Q413 Q414V406-K410 HydrophobicContact CG1-CD 4.16Å; V406-K410 WeakPolarHBondContact O-CB 3.43Å; V406-K410 VanDerWaalsContact O-CG 3.27Å; V406-K410 WeakPolarHBondContact O-CG 3.43Å; V406-K410 PolarHBondContact O-N 3.2Å; V406-K410 VanDerWaalsContact O-N 3.08Å; G407-K410 PolarHBondContact O-N 2.92Å; N408-K410 VanDerWaalsContact C-N 3.27Å; N408-K410 PolarHBondContact O-N 2.97Å; K410-Q413 PolarHBondContact O-N 3.28Å; K410-Q414 WeakPolarHBondContact O-CB 3.37Å; K410-Q414 VanDerWaalsContact O-CG 3.23Å; K410-Q414 WeakPolarHBondContact O-CG 3.43Å; K410-Q414 PolarHBondContact O-N 3.03Å
411K92.9Very high89.7Confident43 Ų4361.8 Ų61.819%0.18732%0.324CS..Hα-helixtrans-61.5-46.4175.8-68.5168.3-172.7167.10111.2G407 N408 I409 Q414 K415 A448G407-K411 WeakPolarHBondContact O-CG 3.46Å; G407-K411 PolarHBondContact O-N 3Å; G407-K411 VanDerWaalsContact O-N 3.14Å; N408-K411 PolarHBondContact O-N 2.93Å; N408-K411 PolarHBondContact OD1-NZ 2.99Å; I409-K411 PolarHBondContact O-N 2.93Å; K411-Q414 WeakPolarHBondContact O-CB 3.36Å; K411-Q414 PolarHBondContact O-N 2.87Å; K411-K415 PolarHBondContact O-N 3.33Å; K411-A448 HydrophobicContact CB-CB 3.5Å; K411-A448 VanDerWaalsContact CB-CB 3.5Å; K411-A448 HydrophobicContact CD-CB 3.53Å; K411-A448 HydrophobicContact CG-CB 4.18Å
412I95.6Very high90.6Very high1 Ų161.5 Ų61.51%0.00533%0.325CS..Hα-helixtrans-65.4-43.9178.8-52.4159.5000109.9L380 N408 I409 Q414 K415 L416 L426 I429 A448 L449 L452L380-I412 HydrophobicContact CD1-CB 4.29Å; L380-I412 HydrophobicContact CD1-CG2 3.99Å; L380-I412 HydrophobicContact CD2-CB 3.92Å; L380-I412 HydrophobicContact CD2-CD1 3.88Å; L380-I412 HydrophobicContact CD2-CG2 4.04Å; L380-I412 HydrophobicContact CG-CG2 4.47Å; N408-I412 WeakPolarHBondContact O-CG1 3.26Å; N408-I412 PolarHBondContact O-N 3.46Å; I409-I412 PolarHBondContact O-N 3.44Å; I412-Q414 VanDerWaalsContact C-N 3.32Å; I412-Q414 PolarHBondContact O-N 3.24Å; I412-K415 PolarHBondContact O-N 3.04Å; I412-K415 VanDerWaalsContact O-N 3.09Å; I412-L416 PolarHBondContact O-N 3.03Å; I412-L426 HydrophobicContact CG2-CD2 4.24Å; I412-I429 HydrophobicContact CG2-CD1 4.04Å; I412-A448 HydrophobicContact CD1-CB 4.32Å; I412-A448 HydrophobicContact CG1-CB 3.72Å; I412-L449 HydrophobicContact CD1-CB 3.84Å; I412-L449 HydrophobicContact CD1-CD1 4.12Å; I412-L449 HydrophobicContact CG1-CB 4.24Å; I412-L452 HydrophobicContact CD1-CD2 3.57Å
413Q93.8Very high91.2Very high66 Ų6658.8 Ų58.831%0.30831%0.313SS..Hα-helixtrans-65.8-32.9178.7-157.6172.225.400112.6L380 I409 K410 K415 L416 M417L380-Q413 HydrophobicContact CD1-CB 4.07Å; L380-Q413 HydrophobicContact CD1-CG 4.36Å; I409-Q413 WeakPolarHBondContact O-CB 3.47Å; I409-Q413 PolarHBondContact O-N 3.42Å; K410-Q413 PolarHBondContact O-N 3.28Å; Q413-K415 VanDerWaalsContact C-N 3.33Å; Q413-L416 PolarHBondContact O-N 3.07Å; Q413-M417 HydrophobicContact CG-CG 4.45Å; Q413-M417 WeakPolarHBondContact O-CB 3.19Å; Q413-M417 WeakPolarHBondContact O-CG 3.44Å; Q413-M417 PolarHBondContact O-N 3.32Å
414Q93.1Very high91.8Very high142 Ų14255.7 Ų55.766%0.66430%0.304SS*.Hα-helixtrans-62.7-38.7170.6-78.8169.8-1200112.2K410 K411 I412 S418K410-Q414 WeakPolarHBondContact O-CB 3.37Å; K410-Q414 VanDerWaalsContact O-CG 3.23Å; K410-Q414 WeakPolarHBondContact O-CG 3.43Å; K410-Q414 PolarHBondContact O-N 3.03Å; K411-Q414 WeakPolarHBondContact O-CB 3.36Å; K411-Q414 PolarHBondContact O-N 2.87Å; I412-Q414 VanDerWaalsContact C-N 3.32Å; I412-Q414 PolarHBondContact O-N 3.24Å; Q414-S418 PolarHBondContact O-N 2.69Å
415K92.2Very high92.4Very high34 Ų3452.8 Ų52.815%0.14829%0.289CS..Hα-helixtrans-70.7-43.8175.7-17955.5-176.1157.40111.6K411 I412 Q413 M417 S418 F423 I429 H432 A445K411-K415 PolarHBondContact O-N 3.33Å; I412-K415 PolarHBondContact O-N 3.04Å; I412-K415 VanDerWaalsContact O-N 3.09Å; Q413-K415 VanDerWaalsContact C-N 3.33Å; K415-M417 PolarHBondContact O-N 3Å; K415-S418 WeakPolarHBondContact O-CB 3.31Å; K415-S418 PolarHBondContact O-N 3.5Å; K415-S418 PolarHBondContact O-OG 3.05Å; K415-F423 HydrophobicContact CD-CE2 4.15Å; K415-F423 HydrophobicContact CD-CZ 4.43Å; K415-F423 VanDerWaalsContact CE-CZ 3.41Å; K415-F423 VanDerWaalsContact O-CD2 3.27Å; K415-F423 WeakPolarHBondContact O-CD2 3.44Å; K415-I429 HydrophobicContact CB-CG2 4.48Å; K415-I429 HydrophobicContact CG-CG2 3.77Å; K415-H432 PolarHBondContact NZ-CE1 3.4Å; K415-H432 PolarHBondContact NZ-ND1 2.7Å; K415-H432 PolarHBondContact NZ-NE2 3.45Å; K415-A445 HydrophobicContact CB-CB 3.66Å; K415-A445 HydrophobicContact CG-CB 3.87Å
416L92.8Very high92.9Very high9 Ų952.1 Ų52.15%0.04729%0.286CS..Hα-helixtrans-54.6-48.7172.1175.759.7000111.8Q377 L380 I412 Q413 S418 D419 P420 F423 I429Q377-L416 HydrophobicContact CB-CD2 4.32Å; L380-L416 HydrophobicContact CD1-CD2 4.24Å; I412-L416 PolarHBondContact O-N 3.03Å; Q413-L416 PolarHBondContact O-N 3.07Å; L416-S418 PolarHBondContact O-N 3.37Å; L416-D419 CarbonylContact O-C 3.58Å; L416-D419 PolarHBondContact O-N 3.39Å; L416-P420 WeakPolarHBondContact O-CA 3.49Å; L416-F423 HydrophobicContact CD1-CB 3.84Å; L416-F423 WeakPolarHBondContact CD1-O 3.4Å; L416-I429 HydrophobicContact CB-CD1 4.3Å
417M91.9Very high93.2Very high114 Ų11452.8 Ų52.856%0.56229%0.288SS*.THydrogen-bonded Turntrans-71.5-6.2178.6-65.9-7099.600114.3Q413 K415 P420Q413-M417 HydrophobicContact CG-CG 4.45Å; Q413-M417 WeakPolarHBondContact O-CB 3.19Å; Q413-M417 WeakPolarHBondContact O-CG 3.44Å; Q413-M417 PolarHBondContact O-N 3.32Å; K415-M417 PolarHBondContact O-N 3Å; M417-P420 HydrophobicContact CE-CG 4.38Å
418S92.8Very high93.5Very high74 Ų7452.8 Ų52.852%0.51728%0.284SS..THydrogen-bonded Turntrans-78.6-29.3176.474.30000113.2Q414 K415 L416Q414-S418 PolarHBondContact O-N 2.69Å; K415-S418 WeakPolarHBondContact O-CB 3.31Å; K415-S418 PolarHBondContact O-N 3.5Å; K415-S418 PolarHBondContact O-OG 3.05Å; L416-S418 PolarHBondContact O-N 3.37Å
419D90.1Very high93.7Very high67 Ų6752.8 Ų52.836%0.35828%0.284SS..SBendtrans-160.882.6174.1-174.91.4000109.5L416 D421 S422 F423L416-D419 CarbonylContact O-C 3.58Å; L416-D419 PolarHBondContact O-N 3.39Å; D419-D421 VanDerWaalsContact C-N 3.3Å; D419-D421 PolarHBondContact O-N 3.1Å; D419-S422 VanDerWaalsContact CG-CB 3.49Å; D419-S422 VanDerWaalsContact CG-OG 3.23Å; D419-S422 PolarHBondContact O-N 3.08Å; D419-S422 WeakPolarHBondContact OD2-CB 3.45Å; D419-S422 PolarHBondContact OD2-OG 3.37Å; D419-F423 HydrophobicContact CB-CD2 4.17Å; D419-F423 HydrophobicContact CB-CE2 3.71Å; D419-F423 HydrophobicContact CB-CZ 4.44Å; D419-F423 WeakPolarHBondContact O-CD2 3.48Å; D419-F423 PolarHBondContact O-N 2.86Å
420P89.3Confident93.8Very high69 Ų6952.6 Ų52.645%0.44828%0.283SS..G310 helixtrans-61.3-34.3-170.7-2635.7000114.3L416 M417 S422 F423L416-P420 WeakPolarHBondContact O-CA 3.49Å; M417-P420 HydrophobicContact CE-CG 4.38Å; P420-S422 VanDerWaalsContact C-N 3.31Å; P420-S422 PolarHBondContact O-N 3.04Å; P420-F423 PolarHBondContact O-N 2.77Å
421D91.1Very high93.9Very high155 Ų15549.8 Ų49.883%0.82927%0.273SS*.G310 helixtrans-70.6-28.9-178.5-64.2-35.8000111.8D419D419-D421 VanDerWaalsContact C-N 3.3Å; D419-D421 PolarHBondContact O-N 3.1Å
422S92.5Very high94Very high58 Ų5850.8 Ų50.841%0.40628%0.278SS..G310 helixtrans-83.5-12.3175.3-66.60000114.3D419 P420 P424D419-S422 VanDerWaalsContact CG-CB 3.49Å; D419-S422 VanDerWaalsContact CG-OG 3.23Å; D419-S422 PolarHBondContact O-N 3.08Å; D419-S422 WeakPolarHBondContact OD2-CB 3.45Å; D419-S422 PolarHBondContact OD2-OG 3.37Å; P420-S422 VanDerWaalsContact C-N 3.31Å; P420-S422 PolarHBondContact O-N 3.04Å; S422-P424 WeakPolarHBondContact O-CD 3.41Å
423F94.8Very high94Very high2 Ų251.2 Ų51.21%0.00928%0.28CS..  trans-121.942.6-171.6-60-42.6000116.2S376 K415 L416 D419 P420 T425 S428 I429 H432S376-F423 WeakPolarHBondContact CB-O 3.3Å; S376-F423 PolarHBondContact OG-O 3.11Å; K415-F423 HydrophobicContact CD-CE2 4.15Å; K415-F423 HydrophobicContact CD-CZ 4.43Å; K415-F423 VanDerWaalsContact CE-CZ 3.41Å; K415-F423 VanDerWaalsContact O-CD2 3.27Å; K415-F423 WeakPolarHBondContact O-CD2 3.44Å; L416-F423 HydrophobicContact CD1-CB 3.84Å; L416-F423 WeakPolarHBondContact CD1-O 3.4Å; D419-F423 HydrophobicContact CB-CD2 4.17Å; D419-F423 HydrophobicContact CB-CE2 3.71Å; D419-F423 HydrophobicContact CB-CZ 4.44Å; D419-F423 WeakPolarHBondContact O-CD2 3.48Å; D419-F423 PolarHBondContact O-N 2.86Å; P420-F423 PolarHBondContact O-N 2.77Å; F423-T425 PolarHBondContact O-N 3.3Å; F423-S428 WeakPolarHBondContact CA-OG 3.44Å; F423-I429 HydrophobicContact CB-CD1 4.27Å; F423-I429 HydrophobicContact CB-CG1 3.68Å; F423-I429 HydrophobicContact CD1-CG1 3.87Å; F423-I429 HydrophobicContact CG-CG1 3.82Å; F423-H432 HydrophobicContact CE1-CB 3.67Å; F423-H432 AromaticContact CE1-CD2 3.62Å; F423-H432 AromaticContact CE1-CG 3.71Å; F423-H432 HydrophobicContact CZ-CB 4.31Å; F423-H432 AromaticContact CZ-CD2 3.46Å; F423-H432 VanDerWaalsContact CZ-CD2 3.46Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.4Å; F423-H432 AromaticContact CZ-CG 3.85Å; F423-H432 AromaticContact CZ-NE2 3.94Å
424P94.2Very high94Very high76 Ų7650.3 Ų50.349%0.49428%0.279SS..SBendtrans-60.7-30.1-178.927.6-35.7000113P375 S376 S422P375-P424 WeakPolarHBondContact CA-O 3.35Å; S376-P424 PolarHBondContact N-O 3.24Å; S376-P424 PolarHBondContact OG-O 3.35Å; S422-P424 WeakPolarHBondContact O-CD 3.41Å
425T97.1Very high94.1Very high17 Ų1751.4 Ų51.410%0.10428%0.284CS..BIsolated β-bridgetrans-125152.8-176.464.10000113.8D369 I374 S376 F423 Q427 S428 I429D369-T425 WeakPolarHBondContact OD2-CG2 3.27Å; I374-T425 CarbonylContact O-C 3.59Å; I374-T425 WeakPolarHBondContact O-CA 3.42Å; I374-T425 WeakPolarHBondContact O-CB 3.34Å; S376-T425 WeakPolarHBondContact OG-CA 3.32Å; S376-T425 PolarHBondContact OG-N 3.27Å; S376-T425 PolarHBondContact OG-O 3.35Å; F423-T425 PolarHBondContact O-N 3.3Å; T425-Q427 PolarHBondContact O-N 3.01Å; T425-S428 PolarHBondContact N-OG 3.44Å; T425-S428 PolarHBondContact O-N 3.44Å; T425-S428 PolarHBondContact O-OG 2.81Å; T425-S428 PolarHBondContact OG1-N 2.75Å; T425-S428 PolarHBondContact OG1-OG 3.04Å; T425-I429 PolarHBondContact O-N 2.85Å
426L97.1Very high94.1Very high0 Ų053 Ų530%030%0.297CS..Hα-helixtrans-57.8-35.4174.3-62.9-177.6000112.1I374 S376 F379 I412 I429 V430 L449 L548I374-L426 HydrophobicContact CB-CB 4.47Å; I374-L426 HydrophobicContact CB-CD1 4.2Å; I374-L426 HydrophobicContact CB-CG 4.32Å; I374-L426 HydrophobicContact CG2-CD1 3.64Å; I374-L426 HydrophobicContact CG2-CG 4.03Å; I374-L426 PolarHBondContact O-N 3.12Å; S376-L426 PolarHBondContact OG-N 3.23Å; F379-L426 HydrophobicContact CB-CD1 4.15Å; F379-L426 HydrophobicContact CD1-CD1 3.6Å; F379-L426 HydrophobicContact CD2-CD1 4Å; F379-L426 HydrophobicContact CE1-CD1 3.88Å; F379-L426 HydrophobicContact CE2-CD1 4.28Å; F379-L426 HydrophobicContact CG-CD1 3.65Å; F379-L426 HydrophobicContact CZ-CD1 4.21Å; I412-L426 HydrophobicContact CG2-CD2 4.24Å; L426-I429 HydrophobicContact CD2-CD1 4.49Å; L426-I429 PolarHBondContact O-N 3.4Å; L426-V430 PolarHBondContact O-N 3.27Å; L426-V430 VanDerWaalsContact O-N 3.12Å; L426-L449 HydrophobicContact CB-CD2 4.13Å; L426-L449 HydrophobicContact CD1-CD1 4.1Å; L426-L449 HydrophobicContact CD1-CD2 4.3Å; L426-L449 HydrophobicContact CD2-CD2 4.5Å; L426-L548 HydrophobicContact CB-CD2 4.23Å; L426-L548 HydrophobicContact CD1-CD1 4.21Å; L426-L548 HydrophobicContact CD1-CD2 4.03Å
427Q96.5Very high93.9Very high29 Ų2957.8 Ų57.814%0.13633%0.331CS..Hα-helixtrans-55.5-51171.1-68.488-22.500111.1N372 T425 I429 V430 L431 L551N372-Q427 PolarHBondContact O-NE2 3.01Å; T425-Q427 PolarHBondContact O-N 3.01Å; Q427-I429 VanDerWaalsContact C-N 3.29Å; Q427-I429 PolarHBondContact O-N 3.28Å; Q427-V430 PolarHBondContact O-N 3.43Å; Q427-L431 HydrophobicContact CB-CD1 4.42Å; Q427-L431 WeakPolarHBondContact O-CB 3.31Å; Q427-L431 WeakPolarHBondContact O-CG 3.31Å; Q427-L431 PolarHBondContact O-N 3.16Å; Q427-L551 HydrophobicContact CG-CD1 4.26Å; Q427-L551 HydrophobicContact CG-CD2 4.2Å
428S96.3Very high93.7Very high27 Ų2755 Ų5519%0.18932%0.32CS..Hα-helixtrans-60.9-34.5-179.764.60000113.6F423 T425 H432F423-S428 WeakPolarHBondContact CA-OG 3.44Å; T425-S428 PolarHBondContact N-OG 3.44Å; T425-S428 PolarHBondContact O-N 3.44Å; T425-S428 PolarHBondContact O-OG 2.81Å; T425-S428 PolarHBondContact OG1-N 2.75Å; T425-S428 PolarHBondContact OG1-OG 3.04Å; S428-H432 WeakPolarHBondContact O-CB 3.24Å; S428-H432 PolarHBondContact O-N 3.27Å; S428-H432 VanDerWaalsContact O-N 3.1Å
429I96.3Very high93.2Very high1 Ų151.7 Ų51.71%0.00530%0.298CS..Hα-helixtrans-63.2-53.2173.7-67.5174.4000111I412 K415 L416 F423 T425 L426 Q427 H432 E433 A445I412-I429 HydrophobicContact CG2-CD1 4.04Å; K415-I429 HydrophobicContact CB-CG2 4.48Å; K415-I429 HydrophobicContact CG-CG2 3.77Å; L416-I429 HydrophobicContact CB-CD1 4.3Å; F423-I429 HydrophobicContact CB-CD1 4.27Å; F423-I429 HydrophobicContact CB-CG1 3.68Å; F423-I429 HydrophobicContact CD1-CG1 3.87Å; F423-I429 HydrophobicContact CG-CG1 3.82Å; T425-I429 PolarHBondContact O-N 2.85Å; L426-I429 HydrophobicContact CD2-CD1 4.49Å; L426-I429 PolarHBondContact O-N 3.4Å; Q427-I429 VanDerWaalsContact C-N 3.29Å; Q427-I429 PolarHBondContact O-N 3.28Å; I429-H432 PolarHBondContact O-N 2.97Å; I429-E433 PolarHBondContact O-N 3.27Å; I429-E433 VanDerWaalsContact O-N 3.14Å; I429-A445 HydrophobicContact CG2-CB 3.6Å
430V96.6Very high92.6Very high0 Ų054.8 Ų54.80%031%0.31CS..Hα-helixtrans-64.7-46.5-178173.10000110.9L426 Q427 H432 E433 V434 T446 L449 L551 Y552 L557L426-V430 PolarHBondContact O-N 3.27Å; L426-V430 VanDerWaalsContact O-N 3.12Å; Q427-V430 PolarHBondContact O-N 3.43Å; V430-H432 VanDerWaalsContact C-N 3.32Å; V430-H432 PolarHBondContact O-N 2.7Å; V430-E433 PolarHBondContact O-N 3.48Å; V430-E433 VanDerWaalsContact O-N 3.09Å; V430-V434 HydrophobicContact CG1-CG2 4.31Å; V430-V434 WeakPolarHBondContact O-CG2 3.37Å; V430-V434 PolarHBondContact O-N 2.84Å; V430-T446 HydrophobicContact CG1-CG2 4.15Å; V430-T446 HydrophobicContact CG2-CG2 4.49Å; V430-L449 HydrophobicContact CG2-CD2 3.88Å; V430-L551 HydrophobicContact CB-CD2 4.03Å; V430-L551 HydrophobicContact CG1-CD2 4.13Å; V430-L551 HydrophobicContact CG1-CG 4.44Å; V430-L551 HydrophobicContact CG2-CD2 4.12Å; V430-Y552 HydrophobicContact CG2-CE2 4.41Å; V430-L557 HydrophobicContact CG1-CD1 3.38Å
431L95.5Very high92.3Very high62 Ų6255.4 Ų55.433%0.32531%0.313SS..Hα-helixtrans-60.7-39.7179.9-68.7172.1000112.1Q427 V434 Q435 Y555Q427-L431 HydrophobicContact CB-CD1 4.42Å; Q427-L431 WeakPolarHBondContact O-CB 3.31Å; Q427-L431 WeakPolarHBondContact O-CG 3.31Å; Q427-L431 PolarHBondContact O-N 3.16Å; L431-V434 PolarHBondContact O-N 3.33Å; L431-Q435 VanDerWaalsContact O-CB 3.31Å; L431-Q435 WeakPolarHBondContact O-CB 3.48Å; L431-Q435 PolarHBondContact O-N 3.23Å; L431-Y555 HydrophobicContact CD2-CD1 4.36Å; L431-Y555 HydrophobicContact CD2-CD2 4.22Å; L431-Y555 HydrophobicContact CD2-CE1 3.71Å; L431-Y555 HydrophobicContact CD2-CE2 3.57Å; L431-Y555 WeakPolarHBondContact CD2-OH 3.01Å
432H95.3Very high91.6Very high63 Ų6358 Ų5829%0.29231%0.311SS..Hα-helixtrans-60.6-49.3171.5171.1-58.4000111.4K415 F423 S428 I429 V430 V434 Q435 T436K415-H432 PolarHBondContact NZ-CE1 3.4Å; K415-H432 PolarHBondContact NZ-ND1 2.7Å; K415-H432 PolarHBondContact NZ-NE2 3.45Å; F423-H432 HydrophobicContact CE1-CB 3.67Å; F423-H432 AromaticContact CE1-CD2 3.62Å; F423-H432 AromaticContact CE1-CG 3.71Å; F423-H432 HydrophobicContact CZ-CB 4.31Å; F423-H432 AromaticContact CZ-CD2 3.46Å; F423-H432 VanDerWaalsContact CZ-CD2 3.46Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.4Å; F423-H432 AromaticContact CZ-CG 3.85Å; F423-H432 AromaticContact CZ-NE2 3.94Å; S428-H432 WeakPolarHBondContact O-CB 3.24Å; S428-H432 PolarHBondContact O-N 3.27Å; S428-H432 VanDerWaalsContact O-N 3.1Å; I429-H432 PolarHBondContact O-N 2.97Å; V430-H432 VanDerWaalsContact C-N 3.32Å; V430-H432 PolarHBondContact O-N 2.7Å; H432-V434 VanDerWaalsContact C-N 3.3Å; H432-V434 PolarHBondContact O-N 3.49Å; H432-Q435 PolarHBondContact O-N 3.17Å; H432-T436 PolarHBondContact CE1-OG1 2.91Å; H432-T436 PolarHBondContact ND1-OG1 2.91Å; H432-T436 WeakPolarHBondContact O-CB 3.39Å; H432-T436 PolarHBondContact O-N 2.9Å; H432-T436 PolarHBondContact O-OG1 3.16Å
433E95Very high91Very high11 Ų1160 Ų605%0.05132%0.317CS..Hα-helixtrans-65.8-31.2-178.7-71.1-165.8154.800112.9I429 V430 S437 V438 A439 S444 A445 T446I429-E433 PolarHBondContact O-N 3.27Å; I429-E433 VanDerWaalsContact O-N 3.14Å; V430-E433 PolarHBondContact O-N 3.48Å; V430-E433 VanDerWaalsContact O-N 3.09Å; E433-S437 PolarHBondContact O-N 3.36Å; E433-V438 HydrophobicContact CB-CG2 3.85Å; E433-V438 HydrophobicContact CG-CG2 3.83Å; E433-V438 PolarHBondContact O-N 3.28Å; E433-A439 HydrophobicContact CB-CB 4.15Å; E433-A439 PolarHBondContact O-N 3.16Å; E433-S444 WeakPolarHBondContact OE2-CB 3.35Å; E433-A445 WeakPolarHBondContact OE1-CB 3.36Å; E433-A445 PolarHBondContact OE1-N 3.14Å; E433-A445 PolarHBondContact OE2-N 2.97Å; E433-A445 VanDerWaalsContact OE2-N 3.1Å; E433-T446 WeakPolarHBondContact OE2-CB 3.45Å; E433-T446 PolarHBondContact OE2-N 3.34Å; E433-T446 PolarHBondContact OE2-OG1 3.41Å
434V94.3Very high90.8Very high47 Ų4760.3 Ų60.329%0.28532%0.319SS..Hα-helixtrans-66.4-51.6169.2172.20000110.7V430 L431 H432 T436 S437 A439 Y555 L557V430-V434 HydrophobicContact CG1-CG2 4.31Å; V430-V434 WeakPolarHBondContact O-CG2 3.37Å; V430-V434 PolarHBondContact O-N 2.84Å; L431-V434 PolarHBondContact O-N 3.33Å; H432-V434 VanDerWaalsContact C-N 3.3Å; H432-V434 PolarHBondContact O-N 3.49Å; V434-T436 VanDerWaalsContact C-N 3.25Å; V434-T436 PolarHBondContact O-N 2.93Å; V434-S437 PolarHBondContact O-N 3.23Å; V434-A439 HydrophobicContact CG2-CB 3.97Å; V434-Y555 HydrophobicContact CG1-CD1 4.14Å; V434-L557 HydrophobicContact CG2-CD1 3.9Å; V434-L557 HydrophobicContact CG2-CD2 3.94Å; V434-L557 HydrophobicContact CG2-CG 4.47Å
435Q94Very high90.8Very high164 Ų16456.8 Ų56.877%0.76630%0.297SS*.Hα-helixtrans-62.7-31.6-178.1-171.4-179.923.200113L431 H432L431-Q435 VanDerWaalsContact O-CB 3.31Å; L431-Q435 WeakPolarHBondContact O-CB 3.48Å; L431-Q435 PolarHBondContact O-N 3.23Å; H432-Q435 PolarHBondContact O-N 3.17Å
436T92.1Very high90.7Very high69 Ų6956.2 Ų56.242%0.42329%0.293SS..THydrogen-bonded Turntrans-90.74.8176.351.40000113.8H432 V434 V438H432-T436 PolarHBondContact CE1-OG1 2.91Å; H432-T436 PolarHBondContact ND1-OG1 2.91Å; H432-T436 WeakPolarHBondContact O-CB 3.39Å; H432-T436 PolarHBondContact O-N 2.9Å; H432-T436 PolarHBondContact O-OG1 3.16Å; V434-T436 VanDerWaalsContact C-N 3.25Å; V434-T436 PolarHBondContact O-N 2.93Å; T436-V438 VanDerWaalsContact C-N 3.26Å; T436-V438 PolarHBondContact O-N 3.46Å
437S88.8Confident90.5Very high108 Ų10858.7 Ų58.776%0.75531%0.305SS*.THydrogen-bonded Turntrans58.530.4179.2-57.50000114.7E433 V434E433-S437 PolarHBondContact O-N 3.36Å; V434-S437 PolarHBondContact O-N 3.23Å
438V88.6Confident90.5Very high55 Ų5557.3 Ų57.333%0.33330%0.298SS..  trans-111.8-4177.9-57.10000114.4E433 T436 Q440 V441 S444E433-V438 HydrophobicContact CB-CG2 3.85Å; E433-V438 HydrophobicContact CG-CG2 3.83Å; E433-V438 PolarHBondContact O-N 3.28Å; T436-V438 VanDerWaalsContact C-N 3.26Å; T436-V438 PolarHBondContact O-N 3.46Å; V438-Q440 PolarHBondContact O-N 2.97Å; V438-Q440 VanDerWaalsContact O-N 3.16Å; V438-V441 HydrophobicContact CB-CB 4.39Å; V438-V441 HydrophobicContact CB-CG2 4.12Å; V438-V441 HydrophobicContact CG1-CG2 4.41Å; V438-V441 VanDerWaalsContact O-CB 3.31Å; V438-V441 WeakPolarHBondContact O-CB 3.2Å; V438-V441 PolarHBondContact O-N 3.21Å; V438-S444 WeakPolarHBondContact O-CB 3.31Å
439A81.1Confident90.5Very high6 Ų656.1 Ų56.15%0.0529%0.29CS..THydrogen-bonded Turntrans-52.2-38.9179.100000113.6E433 V434 S444 T446 L557E433-A439 HydrophobicContact CB-CB 4.15Å; E433-A439 PolarHBondContact O-N 3.16Å; V434-A439 HydrophobicContact CG2-CB 3.97Å; A439-S444 WeakPolarHBondContact O-CB 3.35Å; A439-S444 PolarHBondContact O-OG 3.21Å; A439-T446 HydrophobicContact CB-CG2 4.08Å; A439-L557 HydrophobicContact CB-CD2 4.24Å
440Q79.1Confident90.4Very high131 Ų13156.4 Ų56.461%0.61229%0.291SS*.THydrogen-bonded Turntrans-93.912.6178-60-66.2-9.300113.6V438V438-Q440 PolarHBondContact O-N 2.97Å; V438-Q440 VanDerWaalsContact O-N 3.16Å
441V82.9Confident90.3Very high83 Ų8357.8 Ų57.850%0.50330%0.297SS..SBendtrans-84.7131.9173.2174.20000109.2V438 N443 S444V438-V441 HydrophobicContact CB-CB 4.39Å; V438-V441 HydrophobicContact CB-CG2 4.12Å; V438-V441 HydrophobicContact CG1-CG2 4.41Å; V438-V441 VanDerWaalsContact O-CB 3.31Å; V438-V441 WeakPolarHBondContact O-CB 3.2Å; V438-V441 PolarHBondContact O-N 3.21Å; V441-N443 PolarHBondContact O-N 2.93Å; V441-S444 WeakPolarHBondContact O-CB 3.4Å; V441-S444 PolarHBondContact O-N 3.02Å; V441-S444 PolarHBondContact O-OG 3.38Å
442R75.8Confident90.3Very high208 Ų20854.9 Ų54.979%0.78528%0.281SS*.THydrogen-bonded Turntrans-56128.3-178.4-166.6-176.7-178.9-162.50.2112.4E447R442-E447 WeakPolarHBondContact CA-OE2 3.26Å
443N79.4Confident90.2Very high101 Ų10151.9 Ų51.954%0.5427%0.268SS..THydrogen-bonded Turntrans73.522.9-169.3-42.1-85.5000115.7V441 E447V441-N443 PolarHBondContact O-N 2.93Å; N443-E447 PolarHBondContact N-OE2 3.46Å
444S90.9Very high90.2Very high8 Ų851.6 Ų51.66%0.05627%0.266CS..  trans-62.9160.5167.469.70000111.8E433 V438 A439 V441 T446 E447 A448E433-S444 WeakPolarHBondContact OE2-CB 3.35Å; V438-S444 WeakPolarHBondContact O-CB 3.31Å; A439-S444 WeakPolarHBondContact O-CB 3.35Å; A439-S444 PolarHBondContact O-OG 3.21Å; V441-S444 WeakPolarHBondContact O-CB 3.4Å; V441-S444 PolarHBondContact O-N 3.02Å; V441-S444 PolarHBondContact O-OG 3.38Å; S444-T446 PolarHBondContact O-N 3.26Å; S444-E447 WeakPolarHBondContact OG-CB 3.47Å; S444-E447 PolarHBondContact OG-N 2.9Å; S444-A448 WeakPolarHBondContact O-CB 3.44Å; S444-A448 PolarHBondContact O-N 3.39Å; S444-A448 VanDerWaalsContact O-N 3.11Å
445A93.8Very high90.1Very high3 Ų350 Ų503%0.02526%0.258CS..Hα-helixtrans-68-28.3170.800000111.6K415 I429 E433 A448 L449K415-A445 HydrophobicContact CB-CB 3.66Å; K415-A445 HydrophobicContact CG-CB 3.87Å; I429-A445 HydrophobicContact CG2-CB 3.6Å; E433-A445 WeakPolarHBondContact OE1-CB 3.36Å; E433-A445 PolarHBondContact OE1-N 3.14Å; E433-A445 PolarHBondContact OE2-N 2.97Å; E433-A445 VanDerWaalsContact OE2-N 3.1Å; A445-A448 WeakPolarHBondContact O-CB 3.43Å; A445-A448 PolarHBondContact O-N 3.27Å; A445-L449 VanDerWaalsContact O-CB 3.27Å; A445-L449 WeakPolarHBondContact O-CB 3.42Å; A445-L449 PolarHBondContact O-N 2.97Å
446T95.7Very high90.1Very high4 Ų442.2 Ų42.23%0.02522%0.222CC..Hα-helixtrans-68.2-42.2176.2-54.30000112V430 E433 A439 S444 L450 Y552 L557V430-T446 HydrophobicContact CG1-CG2 4.15Å; V430-T446 HydrophobicContact CG2-CG2 4.49Å; E433-T446 WeakPolarHBondContact OE2-CB 3.45Å; E433-T446 PolarHBondContact OE2-N 3.34Å; E433-T446 PolarHBondContact OE2-OG1 3.41Å; A439-T446 HydrophobicContact CB-CG2 4.08Å; S444-T446 PolarHBondContact O-N 3.26Å; T446-L450 WeakPolarHBondContact O-CB 3.13Å; T446-L450 PolarHBondContact O-N 2.91Å; T446-Y552 HydrophobicContact CG2-CE1 3.97Å; T446-Y552 PolarHBondContact O-OH 2.95Å; T446-L557 HydrophobicContact CG2-CD1 3.94Å
447E93.4Very high90.2Very high53 Ų5341.9 Ų41.925%0.24822%0.215CC..Hα-helixtrans-65.3-41.2171.8-171.2-157.1158.700110.4R442 N443 S444 L450 W451R442-E447 WeakPolarHBondContact CA-OE2 3.26Å; N443-E447 PolarHBondContact N-OE2 3.46Å; S444-E447 WeakPolarHBondContact OG-CB 3.47Å; S444-E447 PolarHBondContact OG-N 2.9Å; E447-L450 WeakPolarHBondContact O-CB 3.48Å; E447-L450 PolarHBondContact O-N 3.4Å; E447-W451 PolarHBondContact O-N 3.15Å
448A94.7Very high90.4Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-62.5-46.1177.800000112.7N408 K411 I412 S444 A445 L450 W451 L452N408-A448 HydrophobicContact CB-CB 4.25Å; N408-A448 WeakPolarHBondContact CB-O 3.38Å; K411-A448 HydrophobicContact CB-CB 3.5Å; K411-A448 VanDerWaalsContact CB-CB 3.5Å; K411-A448 HydrophobicContact CD-CB 3.53Å; K411-A448 HydrophobicContact CG-CB 4.18Å; I412-A448 HydrophobicContact CD1-CB 4.32Å; I412-A448 HydrophobicContact CG1-CB 3.72Å; S444-A448 WeakPolarHBondContact O-CB 3.44Å; S444-A448 PolarHBondContact O-N 3.39Å; S444-A448 VanDerWaalsContact O-N 3.11Å; A445-A448 WeakPolarHBondContact O-CB 3.43Å; A445-A448 PolarHBondContact O-N 3.27Å; A448-L450 VanDerWaalsContact C-N 3.31Å; A448-L450 PolarHBondContact O-N 2.75Å; A448-W451 PolarHBondContact O-N 3.43Å; A448-L452 WeakPolarHBondContact O-CB 3.32Å; A448-L452 PolarHBondContact O-N 2.86Å
449L96.8Very high90.6Very high1 Ų136.4 Ų36.41%0.00517%0.174CC..Hα-helixtrans-70-28.1178.6179.461.6000111.8F379 I412 L426 V430 A445 R453 L548 Y552F379-L449 HydrophobicContact CE1-CD1 4.19Å; I412-L449 HydrophobicContact CD1-CB 3.84Å; I412-L449 HydrophobicContact CD1-CD1 4.12Å; I412-L449 HydrophobicContact CG1-CB 4.24Å; L426-L449 HydrophobicContact CB-CD2 4.13Å; L426-L449 HydrophobicContact CD1-CD1 4.1Å; L426-L449 HydrophobicContact CD1-CD2 4.3Å; L426-L449 HydrophobicContact CD2-CD2 4.5Å; V430-L449 HydrophobicContact CG2-CD2 3.88Å; A445-L449 VanDerWaalsContact O-CB 3.27Å; A445-L449 WeakPolarHBondContact O-CB 3.42Å; A445-L449 PolarHBondContact O-N 2.97Å; L449-R453 WeakPolarHBondContact O-CB 3.31Å; L449-R453 PolarHBondContact O-N 2.99Å; L449-L548 HydrophobicContact CD1-CD1 4.09Å; L449-L548 HydrophobicContact CD2-CD2 4.15Å; L449-Y552 WeakPolarHBondContact CB-OH 3.43Å; L449-Y552 HydrophobicContact CD2-CE2 4.26Å; L449-Y552 HydrophobicContact CG-CE2 4.32Å
450L95.1Very high91.2Very high8 Ų837.4 Ų37.44%0.04218%0.177CC..Hα-helixtrans-59-53.7170.1179.754.9000111.3T446 E447 A448 R453 R454 Y552T446-L450 WeakPolarHBondContact O-CB 3.13Å; T446-L450 PolarHBondContact O-N 2.91Å; E447-L450 WeakPolarHBondContact O-CB 3.48Å; E447-L450 PolarHBondContact O-N 3.4Å; A448-L450 VanDerWaalsContact C-N 3.31Å; A448-L450 PolarHBondContact O-N 2.75Å; L450-R453 PolarHBondContact O-N 3.3Å; L450-R454 VanDerWaalsContact O-CG 3.3Å; L450-R454 WeakPolarHBondContact O-CG 3.49Å; L450-R454 PolarHBondContact O-N 3.19Å; L450-Y552 HydrophobicContact CB-CE1 3.81Å; L450-Y552 HydrophobicContact CD1-CD1 3.96Å; L450-Y552 HydrophobicContact CD1-CE1 3.99Å; L450-Y552 HydrophobicContact CG-CE1 4.41Å; L450-Y552 PolarHBondContact N-OH 3.08Å
451W93.9Very high92Very high29 Ų2933.2 Ų33.211%0.1116%0.158CC..Hα-helixtrans-68.7-39179.2-70.4110.1000112.5N408 E447 A448 R453 R454 G455 V563N408-W451 WeakPolarHBondContact ND2-CB 3.36Å; E447-W451 PolarHBondContact O-N 3.15Å; A448-W451 PolarHBondContact O-N 3.43Å; W451-R453 PolarHBondContact O-N 3.26Å; W451-R454 PolarHBondContact O-N 3.07Å; W451-G455 PolarHBondContact O-N 2.76Å; W451-V563 HydrophobicContact CH2-CB 4.41Å; W451-V563 HydrophobicContact CH2-CG1 3.8Å; W451-V563 HydrophobicContact CH2-CG2 3.72Å; W451-V563 HydrophobicContact CZ2-CG1 3.62Å; W451-V563 HydrophobicContact CZ2-CG2 4.35Å; W451-V563 HydrophobicContact CZ3-CG2 4.07Å
452L95.1Very high92.4Very high0 Ų029.8 Ų29.80%014%0.136CC..Hα-helixtrans-60.8-45.2175.1-174.261000111.8F379 L380 F405 N408 I409 I412 A448 R454 G455 L456F379-L452 HydrophobicContact CE1-CD2 4.12Å; L380-L452 HydrophobicContact CD2-CD2 4.31Å; F405-L452 HydrophobicContact CD1-CD1 4.23Å; F405-L452 HydrophobicContact CD2-CD1 3.73Å; F405-L452 HydrophobicContact CE1-CD1 4.03Å; F405-L452 HydrophobicContact CE2-CD1 3.5Å; F405-L452 HydrophobicContact CG-CD1 4.09Å; F405-L452 HydrophobicContact CZ-CD1 3.66Å; N408-L452 HydrophobicContact CB-CB 4.35Å; I409-L452 HydrophobicContact CG1-CD1 4.04Å; I409-L452 HydrophobicContact CG1-CD2 4.02Å; I412-L452 HydrophobicContact CD1-CD2 3.57Å; A448-L452 WeakPolarHBondContact O-CB 3.32Å; A448-L452 PolarHBondContact O-N 2.86Å; L452-R454 PolarHBondContact O-N 2.86Å; L452-G455 PolarHBondContact O-N 3.18Å; L452-L456 HydrophobicContact CG-CD1 4.26Å; L452-L456 WeakPolarHBondContact O-CB 3.48Å; L452-L456 WeakPolarHBondContact O-CG 3.22Å; L452-L456 PolarHBondContact O-N 2.99Å
453R94.8Very high93.2Very high1 Ų120 Ų200%0.00410%0.099CC..Hα-helixtrans-60.6-41.9174.2-179.8179.262.5100.93.8112L449 L450 W451 L456 K457 L545 D549 E558L449-R453 WeakPolarHBondContact O-CB 3.31Å; L449-R453 PolarHBondContact O-N 2.99Å; L450-R453 PolarHBondContact O-N 3.3Å; W451-R453 PolarHBondContact O-N 3.26Å; R453-L456 PolarHBondContact O-N 2.97Å; R453-K457 WeakPolarHBondContact O-CG 3.3Å; R453-K457 PolarHBondContact O-N 3.48Å; R453-L545 HydrophobicContact CB-CD2 4.46Å; R453-L545 HydrophobicContact CG-CD2 3.83Å; R453-D549 WeakPolarHBondContact CD-OD1 3.36Å; R453-D549 IonicContact CZ-OD1 2.75Å; R453-D549 IonicContact NE-OD1 2.71Å; R453-D549 IonicContact NH1-OD1 3.77Å; R453-D549 PolarHBondContact NH1-OD1 2.89Å; R453-E558 IonicContact CZ-OE1 3.79Å; R453-E558 IonicContact NH1-OE1 2.7Å; R453-E558 PolarHBondContact NH1-OE1 3Å; R453-E558 IonicContact NH2-OE1 2.83Å; R453-E558 PolarHBondContact NH2-OE1 3.15Å; R453-E558 IonicContact NH2-OE2 3.28Å; R453-E558 PolarHBondContact NH2-OE2 2.78Å
454R94.4Very high94Very high5 Ų516.7 Ų16.72%0.0198%0.084CC..Hα-helixtrans-63.9-41.1175.7-71.9170.1177.9-170.9-2.7111.8L450 W451 L452 K457 F458 L485 Y488 E558 S559L450-R454 VanDerWaalsContact O-CG 3.3Å; L450-R454 WeakPolarHBondContact O-CG 3.49Å; L450-R454 PolarHBondContact O-N 3.19Å; W451-R454 PolarHBondContact O-N 3.07Å; L452-R454 PolarHBondContact O-N 2.86Å; R454-K457 PolarHBondContact O-N 3.07Å; R454-F458 PolarHBondContact O-N 3.36Å; R454-L485 HydrophobicContact CB-CD2 3.88Å; R454-Y488 HydrophobicContact CG-CD2 4.15Å; R454-Y488 HydrophobicContact CG-CE2 3.9Å; R454-Y488 VanDerWaalsContact NH1-CD1 3.28Å; R454-E558 IonicContact CZ-OE2 3.2Å; R454-E558 IonicContact NE-OE2 2.87Å; R454-E558 IonicContact NH2-OE2 2.58Å; R454-E558 PolarHBondContact NH2-OE2 2.67Å; R454-S559 PolarHBondContact NH1-O 2.91Å; R454-S559 PolarHBondContact NH2-O 3.08Å
455G92Very high94.2Very high12 Ų1217.7 Ų17.712%0.1249%0.088CC..Hα-helixtrans-66.5-39.2173.600000113.8W451 L452 F458 L459W451-G455 PolarHBondContact O-N 2.76Å; L452-G455 PolarHBondContact O-N 3.18Å; G455-F458 WeakPolarHBondContact O-CB 3.46Å; G455-F458 PolarHBondContact O-N 3.3Å; G455-L459 PolarHBondContact O-N 3.32Å
456L93.6Very high94.1Very high1 Ų117.6 Ų17.61%0.0059%0.087CC..Hα-helixtrans-67.2-38.9174.6-74.1168.4000112.5F363 F379 F405 L452 R453 F458 L459 K460 M541 L545F363-L456 HydrophobicContact CE2-CD2 4.36Å; F363-L456 HydrophobicContact CZ-CD2 3.96Å; F379-L456 HydrophobicContact CE1-CD1 4.1Å; F379-L456 HydrophobicContact CE2-CD1 4.4Å; F379-L456 HydrophobicContact CZ-CD1 3.54Å; F405-L456 HydrophobicContact CE2-CD2 4.14Å; F405-L456 HydrophobicContact CE2-CG 4.18Å; F405-L456 HydrophobicContact CZ-CD2 3.86Å; F405-L456 HydrophobicContact CZ-CG 4.29Å; L452-L456 HydrophobicContact CG-CD1 4.26Å; L452-L456 WeakPolarHBondContact O-CB 3.48Å; L452-L456 WeakPolarHBondContact O-CG 3.22Å; L452-L456 PolarHBondContact O-N 2.99Å; R453-L456 PolarHBondContact O-N 2.97Å; L456-F458 VanDerWaalsContact C-N 3.33Å; L456-F458 PolarHBondContact O-N 2.69Å; L456-L459 HydrophobicContact CD2-CD2 4.44Å; L456-L459 PolarHBondContact O-N 2.91Å; L456-K460 WeakPolarHBondContact O-CB 3.12Å; L456-K460 PolarHBondContact O-N 3Å; L456-M541 HydrophobicContact CD2-CE 4.27Å; L456-M541 HydrophobicContact CD2-SD 4.47Å; L456-L545 HydrophobicContact CB-CD1 4.23Å; L456-L545 HydrophobicContact CB-CD2 3.72Å; L456-L545 HydrophobicContact CD1-CD2 4.15Å
457K94.7Very high94Very high62 Ų6219.4 Ų19.427%0.2710%0.096SC..Hα-helixtrans-58.2-44.5171.7-78.1-179.1172.3-172.90111.7R453 R454 K460 E461 T484 L545 D549R453-K457 WeakPolarHBondContact O-CG 3.3Å; R453-K457 PolarHBondContact O-N 3.48Å; R454-K457 PolarHBondContact O-N 3.07Å; K457-K460 PolarHBondContact O-N 3.43Å; K457-E461 WeakPolarHBondContact O-CB 3.42Å; K457-E461 PolarHBondContact O-N 3.36Å; K457-T484 HydrophobicContact CB-CG2 4.27Å; K457-L545 HydrophobicContact CG-CD1 4.05Å; K457-L545 HydrophobicContact CG-CD2 4.5Å; K457-D549 WeakPolarHBondContact CE-OD1 3.3Å; K457-D549 WeakPolarHBondContact CE-OD2 3.35Å; K457-D549 IonicContact NZ-OD1 2.94Å; K457-D549 PolarHBondContact NZ-OD1 3.3Å; K457-D549 IonicContact NZ-OD2 3.3Å; K457-D549 PolarHBondContact NZ-OD2 3.31Å
458F93.5Very high94.1Very high28 Ų2821.2 Ų21.212%0.12312%0.12CC..Hα-helixtrans-59.7-46.5173.8167.1-108.9000112.4R454 G455 L456 E461 F462 L477 A480 T484 L485 F497R454-F458 PolarHBondContact O-N 3.36Å; G455-F458 WeakPolarHBondContact O-CB 3.46Å; G455-F458 PolarHBondContact O-N 3.3Å; L456-F458 VanDerWaalsContact C-N 3.33Å; L456-F458 PolarHBondContact O-N 2.69Å; F458-E461 PolarHBondContact O-N 3.46Å; F458-F462 WeakPolarHBondContact O-CB 3.33Å; F458-F462 PolarHBondContact O-N 2.92Å; F458-L477 HydrophobicContact CZ-CD2 3.76Å; F458-A480 HydrophobicContact CD2-CB 3.92Å; F458-A480 HydrophobicContact CE2-CB 3.9Å; F458-T484 WeakPolarHBondContact CA-OG1 3.11Å; F458-T484 WeakPolarHBondContact CB-OG1 3.31Å; F458-L485 HydrophobicContact CB-CD1 3.6Å; F458-L485 HydrophobicContact CB-CG 3.92Å; F458-L485 HydrophobicContact CD1-CD1 3.93Å; F458-L485 HydrophobicContact CD2-CD1 4.3Å; F458-L485 HydrophobicContact CG-CD1 3.68Å; F458-L485 HydrophobicContact CG-CG 4.4Å; F458-F497 HydrophobicContact CE2-CE2 4.34Å; F458-F497 HydrophobicContact CZ-CE2 4.12Å
459L91.4Very high93.9Very high21 Ų2123.1 Ų23.111%0.1114%0.14CC..Hα-helixtrans-61.5-44.9177178.866000112.2I386 G455 L456 E461 F462 L463 M541I386-L459 HydrophobicContact CD1-CD2 4.4Å; I386-L459 HydrophobicContact CG1-CD2 3.91Å; G455-L459 PolarHBondContact O-N 3.32Å; L456-L459 HydrophobicContact CD2-CD2 4.44Å; L456-L459 PolarHBondContact O-N 2.91Å; L459-E461 VanDerWaalsContact C-N 3.33Å; L459-E461 PolarHBondContact O-N 3.07Å; L459-F462 PolarHBondContact O-N 2.99Å; L459-L463 HydrophobicContact CD1-CD1 3.88Å; L459-L463 HydrophobicContact CD1-CG 4.09Å; L459-L463 HydrophobicContact CG-CD1 4.01Å; L459-L463 WeakPolarHBondContact O-CB 3.09Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 2.92Å; L459-M541 HydrophobicContact CD2-CE 4.06Å
460K94.2Very high93.8Very high27 Ų2726.5 Ų26.512%0.11716%0.156CC..Hα-helixtrans-57.8-47.1176.9-173.6-98.8169.6168.90111L456 K457 S464 L538 M541 E542 L545L456-K460 WeakPolarHBondContact O-CB 3.12Å; L456-K460 PolarHBondContact O-N 3Å; K457-K460 PolarHBondContact O-N 3.43Å; K460-S464 WeakPolarHBondContact O-CB 3.44Å; K460-S464 PolarHBondContact O-N 2.85Å; K460-S464 PolarHBondContact O-OG 3.03Å; K460-L538 HydrophobicContact CG-CD2 4.37Å; K460-M541 HydrophobicContact CB-SD 3.73Å; K460-M541 HydrophobicContact CG-SD 4.3Å; K460-E542 VanDerWaalsContact CE-OE2 3.24Å; K460-E542 WeakPolarHBondContact CE-OE2 3.34Å; K460-E542 IonicContact NZ-OE1 2.98Å; K460-E542 PolarHBondContact NZ-OE1 2.93Å; K460-E542 IonicContact NZ-OE2 2.64Å; K460-E542 PolarHBondContact NZ-OE2 3.44Å; K460-L545 HydrophobicContact CB-CD1 4.47Å
461E95.4Very high93.7Very high43 Ų4332.4 Ų32.420%0.20118%0.181CC..Hα-helixtrans-68.8-43.5-178-163.663.3-167.900111.5K457 F458 L459 L463 S464 E465 A480 K483 T484K457-E461 WeakPolarHBondContact O-CB 3.42Å; K457-E461 PolarHBondContact O-N 3.36Å; F458-E461 PolarHBondContact O-N 3.46Å; L459-E461 VanDerWaalsContact C-N 3.33Å; L459-E461 PolarHBondContact O-N 3.07Å; E461-L463 PolarHBondContact O-N 3.38Å; E461-S464 WeakPolarHBondContact O-CB 3.14Å; E461-S464 PolarHBondContact O-N 2.99Å; E461-S464 VanDerWaalsContact O-N 3.11Å; E461-E465 WeakPolarHBondContact O-CG 3.47Å; E461-E465 PolarHBondContact O-N 3.04Å; E461-A480 HydrophobicContact CB-CB 3.97Å; E461-A480 HydrophobicContact CG-CB 4.12Å; E461-K483 HydrophobicContact CG-CB 4.39Å; E461-K483 HydrophobicContact CG-CD 3.6Å; E461-K483 WeakPolarHBondContact OE1-CD 3.43Å; E461-K483 WeakPolarHBondContact OE1-CE 3.35Å; E461-K483 IonicContact OE1-NZ 3.94Å; E461-K483 PolarHBondContact OE1-NZ 2.99Å; E461-T484 HydrophobicContact CB-CG2 4.29Å
462F92.8Very high93.7Very high10 Ų1035.1 Ų35.14%0.04420%0.198CC..Hα-helixtrans-59.1-48.8175.5165.7-116.8000112.1F458 L459 S464 E465 I466 I473 A476 L477 A480 F510F458-F462 WeakPolarHBondContact O-CB 3.33Å; F458-F462 PolarHBondContact O-N 2.92Å; L459-F462 PolarHBondContact O-N 2.99Å; F462-S464 PolarHBondContact O-N 2.79Å; F462-E465 PolarHBondContact O-N 3.37Å; F462-I466 HydrophobicContact CD2-CG1 4.48Å; F462-I466 HydrophobicContact CE2-CD1 4.14Å; F462-I466 HydrophobicContact CE2-CG1 4Å; F462-I466 HydrophobicContact CZ-CG1 4.22Å; F462-I466 PolarHBondContact O-N 3.3Å; F462-I473 HydrophobicContact CE2-CG2 4.29Å; F462-I473 HydrophobicContact CZ-CG2 4.32Å; F462-A476 HydrophobicContact CD2-CB 3.81Å; F462-A476 HydrophobicContact CE2-CB 3.86Å; F462-L477 HydrophobicContact CD1-CD2 4.18Å; F462-L477 HydrophobicContact CD2-CD2 3.62Å; F462-L477 HydrophobicContact CD2-CG 3.86Å; F462-L477 HydrophobicContact CE1-CD2 4.24Å; F462-L477 HydrophobicContact CE2-CD2 3.71Å; F462-L477 HydrophobicContact CE2-CG 3.68Å; F462-L477 HydrophobicContact CG-CD2 3.87Å; F462-L477 HydrophobicContact CZ-CD2 4.02Å; F462-L477 HydrophobicContact CZ-CG 4.28Å; F462-A480 HydrophobicContact CB-CB 3.72Å; F462-F510 AromaticContact CE1-CE2 3.56Å; F462-F510 HydrophobicContact CE1-CE2 3.56Å; F462-F510 AromaticContact CE1-CZ 3.88Å; F462-F510 HydrophobicContact CE1-CZ 3.88Å; F462-F510 HydrophobicContact CZ-CD2 4.11Å; F462-F510 AromaticContact CZ-CE2 3.47Å; F462-F510 HydrophobicContact CZ-CE2 3.47Å; F462-F510 VanDerWaalsContact CZ-CE2 3.47Å; F462-F510 AromaticContact CZ-CZ 3.81Å; F462-F510 HydrophobicContact CZ-CZ 3.81Å
463L92.4Very high93.5Very high4 Ų435.3 Ų35.32%0.02120%0.199CC..Hα-helixtrans-66.9-25.9176.3-67.6176.9000112.5F356 L459 E461 N467 F510 L534 Y537 L538F356-L463 HydrophobicContact CE1-CD1 3.89Å; F356-L463 HydrophobicContact CZ-CD1 3.86Å; F356-L463 HydrophobicContact CZ-CD2 3.9Å; L459-L463 HydrophobicContact CD1-CD1 3.88Å; L459-L463 HydrophobicContact CD1-CG 4.09Å; L459-L463 HydrophobicContact CG-CD1 4.01Å; L459-L463 WeakPolarHBondContact O-CB 3.09Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 2.92Å; E461-L463 PolarHBondContact O-N 3.38Å; L463-N467 VanDerWaalsContact O-CB 3.24Å; L463-N467 WeakPolarHBondContact O-CB 3.38Å; L463-N467 PolarHBondContact O-N 3.1Å; L463-F510 HydrophobicContact CD2-CZ 4.17Å; L463-L534 HydrophobicContact CB-CD2 4.33Å; L463-L534 HydrophobicContact CD1-CD2 4.29Å; L463-Y537 HydrophobicContact CD1-CE1 4.13Å; L463-L538 HydrophobicContact CB-CD1 4.37Å; L463-L538 HydrophobicContact CB-CD2 3.7Å; L463-L538 HydrophobicContact CD1-CD2 4.2Å
464S95.6Very high93.3Very high30 Ų3039 Ų3921%0.2122%0.216CC..Hα-helixtrans-71.3-37.1173.9-59.30000112.4K460 E461 F462 N467 A468K460-S464 WeakPolarHBondContact O-CB 3.44Å; K460-S464 PolarHBondContact O-N 2.85Å; K460-S464 PolarHBondContact O-OG 3.03Å; E461-S464 WeakPolarHBondContact O-CB 3.14Å; E461-S464 PolarHBondContact O-N 2.99Å; E461-S464 VanDerWaalsContact O-N 3.11Å; F462-S464 PolarHBondContact O-N 2.79Å; S464-N467 CarbonylContact O-C 3.48Å; S464-N467 PolarHBondContact O-N 3.24Å; S464-A468 WeakPolarHBondContact O-CB 3.47Å; S464-A468 PolarHBondContact O-N 2.93Å
465E95.2Very high93.2Very high30 Ų3040 Ų4014%0.1423%0.225CC..Hα-helixtrans-63.2-44.8173.2-58.6-96.8151.800110.5E461 F462 N467 A468 G469 E470 A476 N479 K483E461-E465 WeakPolarHBondContact O-CG 3.47Å; E461-E465 PolarHBondContact O-N 3.04Å; F462-E465 PolarHBondContact O-N 3.37Å; E465-N467 PolarHBondContact O-N 3.46Å; E465-A468 WeakPolarHBondContact O-CB 3.39Å; E465-A468 PolarHBondContact O-N 3.45Å; E465-A468 VanDerWaalsContact O-N 3.15Å; E465-G469 PolarHBondContact O-N 2.91Å; E465-E470 HydrophobicContact CB-CB 4.44Å; E465-E470 VanDerWaalsContact O-CB 3.32Å; E465-E470 WeakPolarHBondContact O-CB 3.37Å; E465-E470 PolarHBondContact O-N 2.94Å; E465-E470 VanDerWaalsContact O-N 3.14Å; E465-A476 HydrophobicContact CB-CB 3.86Å; E465-N479 HydrophobicContact CG-CB 4.47Å; E465-N479 WeakPolarHBondContact OE2-CB 3.49Å; E465-N479 PolarHBondContact OE2-ND2 2.73Å; E465-K483 IonicContact OE1-NZ 3.96Å; E465-K483 PolarHBondContact OE1-NZ 2.68Å
466I92.2Very high93.3Very high1 Ų139.4 Ų39.41%0.00522%0.219CC..Hα-helixtrans-63.3-41.6175.1-57.3-57.5000111.5F462 A468 G469 E470 I473 A476 Y507 F510 M530F462-I466 HydrophobicContact CD2-CG1 4.48Å; F462-I466 HydrophobicContact CE2-CD1 4.14Å; F462-I466 HydrophobicContact CE2-CG1 4Å; F462-I466 HydrophobicContact CZ-CG1 4.22Å; F462-I466 PolarHBondContact O-N 3.3Å; I466-A468 PolarHBondContact O-N 3.06Å; I466-G469 WeakPolarHBondContact O-CA 3.12Å; I466-G469 PolarHBondContact O-N 3.5Å; I466-E470 WeakPolarHBondContact CD1-O 3.46Å; I466-I473 HydrophobicContact CD1-CD1 3.69Å; I466-A476 HydrophobicContact CD1-CB 3.82Å; I466-A476 HydrophobicContact CG1-CB 4.49Å; I466-Y507 HydrophobicContact CG2-CE2 4.4Å; I466-F510 HydrophobicContact CG1-CE1 4.29Å; I466-F510 HydrophobicContact CG1-CZ 4.43Å; I466-F510 HydrophobicContact CG2-CE1 4.1Å; I466-M530 HydrophobicContact CG2-SD 4.16Å
467N93.1Very high93.1Very high41 Ų4139.8 Ų39.822%0.21922%0.221CC..Hα-helixtrans-71.5-11.6176.3-165.161.4000113.8L463 S464 E465 G469 H531 L534 L538L463-N467 VanDerWaalsContact O-CB 3.24Å; L463-N467 WeakPolarHBondContact O-CB 3.38Å; L463-N467 PolarHBondContact O-N 3.1Å; S464-N467 CarbonylContact O-C 3.48Å; S464-N467 PolarHBondContact O-N 3.24Å; E465-N467 PolarHBondContact O-N 3.46Å; N467-G469 VanDerWaalsContact C-N 3.33Å; N467-H531 PolarHBondContact O-CD2 2.58Å; N467-H531 PolarHBondContact O-NE2 3.4Å; N467-H531 WeakPolarHBondContact OD1-CA 3.4Å; N467-L534 HydrophobicContact CB-CB 4.37Å; N467-L534 HydrophobicContact CB-CD1 3.95Å; N467-L538 HydrophobicContact CB-CD1 4.2Å
468A94.4Very high92.9Very high92 Ų9240.6 Ų40.676%0.7623%0.229SC*.THydrogen-bonded Turntrans-87.9-3.7167.400000112.6S464 E465 I466S464-A468 WeakPolarHBondContact O-CB 3.47Å; S464-A468 PolarHBondContact O-N 2.93Å; E465-A468 WeakPolarHBondContact O-CB 3.39Å; E465-A468 PolarHBondContact O-N 3.45Å; E465-A468 VanDerWaalsContact O-N 3.15Å; I466-A468 PolarHBondContact O-N 3.06Å
469G92.3Very high93Very high40 Ų4042.4 Ų42.441%0.41224%0.239SC..THydrogen-bonded Turntrans100.18.7177.300000115.4E465 I466 N467E465-G469 PolarHBondContact O-N 2.91Å; I466-G469 WeakPolarHBondContact O-CA 3.12Å; I466-G469 PolarHBondContact O-N 3.5Å; N467-G469 VanDerWaalsContact C-N 3.33Å
470E94.7Very high93.1Very high71 Ų7141.4 Ų41.433%0.33223%0.234SC..  trans-63.9138.7173.6-175.454.3-88.400110.9E465 I466 D472 A476E465-E470 HydrophobicContact CB-CB 4.44Å; E465-E470 VanDerWaalsContact O-CB 3.32Å; E465-E470 WeakPolarHBondContact O-CB 3.37Å; E465-E470 PolarHBondContact O-N 2.94Å; E465-E470 VanDerWaalsContact O-N 3.14Å; I466-E470 WeakPolarHBondContact CD1-O 3.46Å; E470-D472 PolarHBondContact OE1-N 3.36Å; E470-A476 HydrophobicContact CG-CB 3.98Å
471K92.7Very high93Very high133 Ų13340.4 Ų40.458%0.57823%0.23SC*.  trans-120.3-19.8-178.5-63.4-175.5179.6179.80113.2I473 Y507K471-I473 PolarHBondContact O-N 2.98Å; K471-Y507 VanDerWaalsContact CA-CD2 3.5Å; K471-Y507 HydrophobicContact CB-CD2 3.88Å; K471-Y507 HydrophobicContact CB-CE2 4.2Å; K471-Y507 HydrophobicContact CB-CG 4.16Å; K471-Y507 HydrophobicContact CG-CD2 4.02Å; K471-Y507 HydrophobicContact CG-CE1 4.37Å; K471-Y507 HydrophobicContact CG-CE2 3.84Å; K471-Y507 HydrophobicContact CG-CG 4.35Å; K471-Y507 WeakPolarHBondContact O-CB 3.37Å; K471-Y507 WeakPolarHBondContact O-CD2 3.2Å
472D93.4Very high92.8Very high85 Ų8540.3 Ų40.346%0.45524%0.24SC..  trans-77101.1166.6-174.6-10000109.5E470 Q474 A475 A476E470-D472 PolarHBondContact OE1-N 3.36Å; D472-Q474 PolarHBondContact O-N 3.01Å; D472-Q474 WeakPolarHBondContact OD1-CA 3.31Å; D472-Q474 WeakPolarHBondContact OD1-CB 3.39Å; D472-Q474 PolarHBondContact OD1-N 3.4Å; D472-A475 HydrophobicContact CB-CB 3.72Å; D472-A475 PolarHBondContact O-N 3.49Å; D472-A475 VanDerWaalsContact O-N 3.14Å; D472-A475 PolarHBondContact OD1-N 3.42Å; D472-A475 VanDerWaalsContact OD1-N 3.14Å; D472-A476 PolarHBondContact O-N 3.47Å
473I90.1Very high92.9Very high4 Ų445.2 Ų45.22%0.02126%0.261CS..Hα-helixtrans-59.3-30.9176.5-55.6-57.9000111.3F462 I466 K471 L477 A504 P505 Y507 F510F462-I473 HydrophobicContact CE2-CG2 4.29Å; F462-I473 HydrophobicContact CZ-CG2 4.32Å; I466-I473 HydrophobicContact CD1-CD1 3.69Å; K471-I473 PolarHBondContact O-N 2.98Å; I473-L477 HydrophobicContact CG2-CD1 3.82Å; I473-L477 HydrophobicContact CG2-CG 4.25Å; I473-L477 VanDerWaalsContact O-CB 3.26Å; I473-L477 WeakPolarHBondContact O-CB 3.26Å; I473-L477 WeakPolarHBondContact O-CD1 3.49Å; I473-L477 WeakPolarHBondContact O-CG 3.37Å; I473-L477 PolarHBondContact O-N 2.72Å; I473-A504 HydrophobicContact CG2-CB 4.26Å; I473-P505 WeakPolarHBondContact CB-O 3.43Å; I473-P505 WeakPolarHBondContact CG1-O 3.31Å; I473-P505 HydrophobicContact CG2-CG 4.46Å; I473-Y507 HydrophobicContact CD1-CD2 3.87Å; I473-F510 HydrophobicContact CD1-CB 3.89Å; I473-F510 HydrophobicContact CD1-CD1 3.84Å; I473-F510 HydrophobicContact CD1-CD2 4.3Å; I473-F510 HydrophobicContact CD1-CE1 4.49Å; I473-F510 HydrophobicContact CD1-CG 3.74Å; I473-F510 HydrophobicContact CG1-CB 4.16Å; I473-F510 HydrophobicContact CG1-CG 4.47Å
474Q90.8Very high93Very high79 Ų7946 Ų4637%0.36927%0.266SS..Hα-helixtrans-73.4-40.8175.6-61.6-173.614.500111.2D472 N478 L501 A504D472-Q474 PolarHBondContact O-N 3.01Å; D472-Q474 WeakPolarHBondContact OD1-CA 3.31Å; D472-Q474 WeakPolarHBondContact OD1-CB 3.39Å; D472-Q474 PolarHBondContact OD1-N 3.4Å; Q474-N478 WeakPolarHBondContact O-CB 3.26Å; Q474-N478 PolarHBondContact O-N 2.95Å; Q474-L501 HydrophobicContact CB-CD1 4.12Å; Q474-L501 HydrophobicContact CB-CG 4.4Å; Q474-L501 HydrophobicContact CG-CD1 4.46Å; Q474-L501 WeakPolarHBondContact CG-O 3.48Å; Q474-L501 PolarHBondContact NE2-O 2.97Å; Q474-L501 WeakPolarHBondContact O-CD1 3.38Å; Q474-A504 HydrophobicContact CG-CB 3.94Å
475A92.8Very high92.8Very high26 Ų2645.5 Ų45.522%0.21526%0.261CS..Hα-helixtrans-60.1-52.2172.600000111.2D472 L477 N478 N479D472-A475 HydrophobicContact CB-CB 3.72Å; D472-A475 PolarHBondContact O-N 3.49Å; D472-A475 VanDerWaalsContact O-N 3.14Å; D472-A475 PolarHBondContact OD1-N 3.42Å; D472-A475 VanDerWaalsContact OD1-N 3.14Å; A475-L477 PolarHBondContact O-N 3.28Å; A475-N478 PolarHBondContact O-N 2.9Å; A475-N479 WeakPolarHBondContact O-CB 3.39Å; A475-N479 PolarHBondContact O-N 3.46Å; A475-N479 PolarHBondContact O-OD1 2.64Å
476A93.5Very high92.5Very high0 Ų050.7 Ų50.70%028%0.28CS..Hα-helixtrans-58.2-47.7179.300000112.7F462 E465 I466 E470 D472 N478 A480F462-A476 HydrophobicContact CD2-CB 3.81Å; F462-A476 HydrophobicContact CE2-CB 3.86Å; E465-A476 HydrophobicContact CB-CB 3.86Å; I466-A476 HydrophobicContact CD1-CB 3.82Å; I466-A476 HydrophobicContact CG1-CB 4.49Å; E470-A476 HydrophobicContact CG-CB 3.98Å; D472-A476 PolarHBondContact O-N 3.47Å; A476-N478 PolarHBondContact O-N 2.95Å; A476-A480 VanDerWaalsContact O-CB 3.29Å; A476-A480 WeakPolarHBondContact O-CB 3.44Å; A476-A480 PolarHBondContact O-N 2.98Å
477L90.1Very high92.4Very high9 Ų956.1 Ų56.15%0.04731%0.305CS..Hα-helixtrans-63-41.6176.9-74.4169.9000111.9F458 F462 I473 A475 Y481 F497 L501 A504F458-L477 HydrophobicContact CZ-CD2 3.76Å; F462-L477 HydrophobicContact CD1-CD2 4.18Å; F462-L477 HydrophobicContact CD2-CD2 3.62Å; F462-L477 HydrophobicContact CD2-CG 3.86Å; F462-L477 HydrophobicContact CE1-CD2 4.24Å; F462-L477 HydrophobicContact CE2-CD2 3.71Å; F462-L477 HydrophobicContact CE2-CG 3.68Å; F462-L477 HydrophobicContact CG-CD2 3.87Å; F462-L477 HydrophobicContact CZ-CD2 4.02Å; F462-L477 HydrophobicContact CZ-CG 4.28Å; I473-L477 HydrophobicContact CG2-CD1 3.82Å; I473-L477 HydrophobicContact CG2-CG 4.25Å; I473-L477 VanDerWaalsContact O-CB 3.26Å; I473-L477 WeakPolarHBondContact O-CB 3.26Å; I473-L477 WeakPolarHBondContact O-CD1 3.49Å; I473-L477 WeakPolarHBondContact O-CG 3.37Å; I473-L477 PolarHBondContact O-N 2.72Å; A475-L477 PolarHBondContact O-N 3.28Å; L477-Y481 WeakPolarHBondContact O-CB 3.44Å; L477-Y481 PolarHBondContact O-N 2.79Å; L477-F497 HydrophobicContact CB-CZ 4.47Å; L477-L501 HydrophobicContact CB-CD1 3.69Å; L477-L501 HydrophobicContact CD1-CD1 4.34Å; L477-A504 HydrophobicContact CD1-CB 3.66Å
478N91.4Very high92.2Very high79 Ų7955.9 Ų55.942%0.42230%0.301SS..Hα-helixtrans-70.9-39.1-179.1-177.168.8000112.4Q474 A475 A476 G482 L501Q474-N478 WeakPolarHBondContact O-CB 3.26Å; Q474-N478 PolarHBondContact O-N 2.95Å; A475-N478 PolarHBondContact O-N 2.9Å; A476-N478 PolarHBondContact O-N 2.95Å; N478-G482 PolarHBondContact O-N 3.21Å; N478-L501 HydrophobicContact CB-CD1 4.28Å; N478-L501 HydrophobicContact CB-CD2 4.06Å
479N94.1Very high91.7Very high65 Ų6552.7 Ų52.735%0.34827%0.271SS..Hα-helixtrans-61.2-53.6173.8-70.9-8.7000110.6E465 A475 Y481 G482 K483E465-N479 HydrophobicContact CG-CB 4.47Å; E465-N479 WeakPolarHBondContact OE2-CB 3.49Å; E465-N479 PolarHBondContact OE2-ND2 2.73Å; A475-N479 WeakPolarHBondContact O-CB 3.39Å; A475-N479 PolarHBondContact O-N 3.46Å; A475-N479 PolarHBondContact O-OD1 2.64Å; N479-Y481 VanDerWaalsContact C-N 3.34Å; N479-Y481 PolarHBondContact O-N 2.75Å; N479-G482 PolarHBondContact O-N 2.66Å; N479-K483 WeakPolarHBondContact O-CG 3.49Å; N479-K483 PolarHBondContact O-N 2.75Å; N479-K483 VanDerWaalsContact O-N 3.09Å
480A93.8Very high91Very high0 Ų051.5 Ų51.50%026%0.258CS..Hα-helixtrans-58.1-45177.500000112.1F458 E461 F462 A476 G482 K483 T484F458-A480 HydrophobicContact CD2-CB 3.92Å; F458-A480 HydrophobicContact CE2-CB 3.9Å; E461-A480 HydrophobicContact CB-CB 3.97Å; E461-A480 HydrophobicContact CG-CB 4.12Å; F462-A480 HydrophobicContact CB-CB 3.72Å; A476-A480 VanDerWaalsContact O-CB 3.29Å; A476-A480 WeakPolarHBondContact O-CB 3.44Å; A476-A480 PolarHBondContact O-N 2.98Å; A480-G482 PolarHBondContact O-N 2.94Å; A480-K483 PolarHBondContact O-N 2.71Å; A480-T484 WeakPolarHBondContact O-CB 3.28Å; A480-T484 PolarHBondContact O-N 3.01Å; A480-T484 PolarHBondContact O-OG1 2.8Å
481Y91.7Very high89.8Confident7 Ų759 Ų593%0.02728%0.283CS..Hα-helixtrans-61.7-44.9177.5179.9-112.1000112L477 N479 K483 T484 L485 R486 H489 R494 F497L477-Y481 WeakPolarHBondContact O-CB 3.44Å; L477-Y481 PolarHBondContact O-N 2.79Å; N479-Y481 VanDerWaalsContact C-N 3.34Å; N479-Y481 PolarHBondContact O-N 2.75Å; Y481-K483 VanDerWaalsContact C-N 3.27Å; Y481-K483 PolarHBondContact O-N 3.24Å; Y481-T484 PolarHBondContact O-N 3.42Å; Y481-L485 HydrophobicContact CD2-CB 3.71Å; Y481-L485 HydrophobicContact CE2-CB 3.62Å; Y481-L485 PolarHBondContact O-N 3.02Å; Y481-R486 HydrophobicContact CD1-CB 3.88Å; Y481-R486 HydrophobicContact CD1-CG 4.3Å; Y481-R486 HydrophobicContact CE1-CB 3.64Å; Y481-R486 HydrophobicContact CE1-CG 3.81Å; Y481-R486 HydrophobicContact CE2-CB 4.4Å; Y481-R486 HydrophobicContact CG-CB 4.38Å; Y481-R486 WeakPolarHBondContact O-CB 3.47Å; Y481-R486 PolarHBondContact O-N 3.07Å; Y481-H489 AromaticContact CE2-CE1 3.98Å; Y481-H489 AromaticContact CE2-ND1 3.54Å; Y481-H489 AromaticContact CZ-ND1 3.81Å; Y481-H489 VanDerWaalsContact OH-CB 3.24Å; Y481-H489 WeakPolarHBondContact OH-CB 3.38Å; Y481-H489 PolarHBondContact OH-ND1 3.47Å; Y481-H489 VanDerWaalsContact OH-ND1 3.16Å; Y481-R494 WeakPolarHBondContact OH-CG 3.47Å; Y481-F497 AromaticContact CD1-CD1 3.43Å; Y481-F497 HydrophobicContact CD1-CD1 3.43Å; Y481-F497 VanDerWaalsContact CD1-CD1 3.43Å; Y481-F497 HydrophobicContact CD1-CD2 4.41Å; Y481-F497 AromaticContact CD1-CE1 3.39Å; Y481-F497 HydrophobicContact CD1-CE1 3.39Å; Y481-F497 HydrophobicContact CD1-CE2 4.38Å; Y481-F497 AromaticContact CD1-CG 3.97Å; Y481-F497 HydrophobicContact CD1-CG 3.97Å; Y481-F497 AromaticContact CD1-CZ 3.91Å; Y481-F497 HydrophobicContact CD1-CZ 3.91Å; Y481-F497 HydrophobicContact CD2-CD1 4.21Å; Y481-F497 AromaticContact CD2-CD2 3.69Å; Y481-F497 HydrophobicContact CD2-CD2 3.69Å; Y481-F497 HydrophobicContact CD2-CE1 4.23Å; Y481-F497 AromaticContact CD2-CE2 3.71Å; Y481-F497 HydrophobicContact CD2-CE2 3.71Å; Y481-F497 AromaticContact CD2-CG 3.96Å; Y481-F497 HydrophobicContact CD2-CG 3.96Å; Y481-F497 AromaticContact CD2-CZ 4Å; Y481-F497 HydrophobicContact CD2-CZ 4Å; Y481-F497 HydrophobicContact CE1-CB 4.31Å; Y481-F497 AromaticContact CE1-CD1 3.57Å; Y481-F497 HydrophobicContact CE1-CD1 3.57Å; Y481-F497 HydrophobicContact CE1-CE1 4.05Å; Y481-F497 AromaticContact CE1-CG 3.88Å; Y481-F497 HydrophobicContact CE1-CG 3.88Å; Y481-F497 HydrophobicContact CE2-CB 4.3Å; Y481-F497 HydrophobicContact CE2-CD1 4.36Å; Y481-F497 AromaticContact CE2-CD2 3.93Å; Y481-F497 HydrophobicContact CE2-CD2 3.93Å; Y481-F497 HydrophobicContact CE2-CE2 4.41Å; Y481-F497 AromaticContact CE2-CG 3.91Å; Y481-F497 HydrophobicContact CE2-CG 3.91Å; Y481-F497 AromaticContact CG-CD1 3.78Å; Y481-F497 HydrophobicContact CG-CD1 3.78Å; Y481-F497 AromaticContact CG-CD2 3.98Å; Y481-F497 HydrophobicContact CG-CD2 3.98Å; Y481-F497 AromaticContact CG-CE1 3.5Å; Y481-F497 HydrophobicContact CG-CE1 3.5Å; Y481-F497 AromaticContact CG-CE2 3.71Å; Y481-F497 HydrophobicContact CG-CE2 3.71Å; Y481-F497 HydrophobicContact CG-CG 4.02Å; Y481-F497 AromaticContact CG-CZ 3.48Å; Y481-F497 HydrophobicContact CG-CZ 3.48Å; Y481-F497 VanDerWaalsContact CG-CZ 3.48Å; Y481-F497 AromaticContact CZ-CG 3.86Å
482G91.8Very high88.9Confident41 Ų4157 Ų5742%0.42328%0.282SS..Hα-helixtrans-59.4-35.2177.900000113.7N478 N479 A480N478-G482 PolarHBondContact O-N 3.21Å; N479-G482 PolarHBondContact O-N 2.66Å; A480-G482 PolarHBondContact O-N 2.94Å
483K94.8Very high88.2Confident112 Ų11254.9 Ų54.949%0.48727%0.273SS..Hα-helixtrans-80.3-17177.6-67.7167.8174.7178.40114.6E461 E465 N479 A480 Y481E461-K483 HydrophobicContact CG-CB 4.39Å; E461-K483 HydrophobicContact CG-CD 3.6Å; E461-K483 WeakPolarHBondContact OE1-CD 3.43Å; E461-K483 WeakPolarHBondContact OE1-CE 3.35Å; E461-K483 IonicContact OE1-NZ 3.94Å; E461-K483 PolarHBondContact OE1-NZ 2.99Å; E465-K483 IonicContact OE1-NZ 3.96Å; E465-K483 PolarHBondContact OE1-NZ 2.68Å; N479-K483 WeakPolarHBondContact O-CG 3.49Å; N479-K483 PolarHBondContact O-N 2.75Å; N479-K483 VanDerWaalsContact O-N 3.09Å; A480-K483 PolarHBondContact O-N 2.71Å; Y481-K483 VanDerWaalsContact C-N 3.27Å; Y481-K483 PolarHBondContact O-N 3.24Å
484T94.4Very high87.8Confident20 Ų2059.6 Ų59.612%0.12329%0.29CS..THydrogen-bonded Turntrans-131.6-83.3-165.659.90000114.1K457 F458 E461 A480 Y481 Q487K457-T484 HydrophobicContact CB-CG2 4.27Å; F458-T484 WeakPolarHBondContact CA-OG1 3.11Å; F458-T484 WeakPolarHBondContact CB-OG1 3.31Å; E461-T484 HydrophobicContact CB-CG2 4.29Å; A480-T484 WeakPolarHBondContact O-CB 3.28Å; A480-T484 PolarHBondContact O-N 3.01Å; A480-T484 PolarHBondContact O-OG1 2.8Å; Y481-T484 PolarHBondContact O-N 3.42Å; T484-Q487 PolarHBondContact O-NE2 3.45Å
485L90.8Very high87Confident20 Ų2057.5 Ų57.511%0.10529%0.29CS..G310 helixtrans-76.8-24.7-171.6-74.7168.8000113.8R454 F458 Y481 Q487 Y488 H489R454-L485 HydrophobicContact CB-CD2 3.88Å; F458-L485 HydrophobicContact CB-CD1 3.6Å; F458-L485 HydrophobicContact CB-CG 3.92Å; F458-L485 HydrophobicContact CD1-CD1 3.93Å; F458-L485 HydrophobicContact CD2-CD1 4.3Å; F458-L485 HydrophobicContact CG-CD1 3.68Å; F458-L485 HydrophobicContact CG-CG 4.4Å; Y481-L485 HydrophobicContact CD2-CB 3.71Å; Y481-L485 HydrophobicContact CE2-CB 3.62Å; Y481-L485 PolarHBondContact O-N 3.02Å; L485-Q487 PolarHBondContact O-N 3.03Å; L485-Q487 VanDerWaalsContact O-N 3.12Å; L485-Y488 PolarHBondContact O-N 2.77Å; L485-H489 PolarHBondContact O-CD2 2.94Å; L485-H489 PolarHBondContact O-N 3.37Å
486R90.7Very high86.2Confident139 Ų13959.4 Ų59.453%0.52530%0.298SS..G310 helixtrans-56.2-33.8-173.1-176.7174.7178-117.13.9113.8Y481 R494Y481-R486 HydrophobicContact CD1-CB 3.88Å; Y481-R486 HydrophobicContact CD1-CG 4.3Å; Y481-R486 HydrophobicContact CE1-CB 3.64Å; Y481-R486 HydrophobicContact CE1-CG 3.81Å; Y481-R486 HydrophobicContact CE2-CB 4.4Å; Y481-R486 HydrophobicContact CG-CB 4.38Å; Y481-R486 WeakPolarHBondContact O-CB 3.47Å; Y481-R486 PolarHBondContact O-N 3.07Å; R486-R494 PolarHBondContact O-NE 3.47Å; R486-R494 VanDerWaalsContact O-NE 3.08Å; R486-R494 PolarHBondContact O-NH2 3.01Å
487Q90.3Very high85.6Confident115 Ų11561 Ų6154%0.53731%0.305SS..G310 helixtrans-68.1-37.5178.965.3-161.3-14.600112.7T484 L485T484-Q487 PolarHBondContact O-NE2 3.45Å; L485-Q487 PolarHBondContact O-N 3.03Å; L485-Q487 VanDerWaalsContact O-N 3.12Å
488Y88.1Confident85.1Confident37 Ų3762.6 Ų62.615%0.14532%0.32CS..THydrogen-bonded Turntrans-87.7-4.4-179-47.3-63.8000114.2R454 L485 V562 V563R454-Y488 HydrophobicContact CG-CD2 4.15Å; R454-Y488 HydrophobicContact CG-CE2 3.9Å; R454-Y488 VanDerWaalsContact NH1-CD1 3.28Å; L485-Y488 PolarHBondContact O-N 2.77Å; Y488-V562 VanDerWaalsContact O-CA 3.31Å; Y488-V562 WeakPolarHBondContact O-CA 3.48Å; Y488-V563 PolarHBondContact O-N 3.22Å
489H84.1Confident84.4Confident25 Ų2564.2 Ų64.212%0.11633%0.328CS..  trans-102.6132.1178.6-71.9-163.2000110.7Y481 L485 V493 R494 V562 V563Y481-H489 AromaticContact CE2-CE1 3.98Å; Y481-H489 AromaticContact CE2-ND1 3.54Å; Y481-H489 AromaticContact CZ-ND1 3.81Å; Y481-H489 VanDerWaalsContact OH-CB 3.24Å; Y481-H489 WeakPolarHBondContact OH-CB 3.38Å; Y481-H489 PolarHBondContact OH-ND1 3.47Å; Y481-H489 VanDerWaalsContact OH-ND1 3.16Å; L485-H489 PolarHBondContact O-CD2 2.94Å; L485-H489 PolarHBondContact O-N 3.37Å; H489-V493 HydrophobicContact CB-CB 4.13Å; H489-V493 HydrophobicContact CB-CG1 4.22Å; H489-V493 VanDerWaalsContact ND1-CG1 3.31Å; H489-V493 WeakPolarHBondContact ND1-CG1 3.42Å; H489-R494 HydrophobicContact CB-CG 4.09Å; H489-R494 WeakPolarHBondContact O-CD 3.5Å; H489-R494 PolarHBondContact O-NE 2.97Å; H489-R494 PolarHBondContact O-NH2 3.19Å; H489-R494 VanDerWaalsContact O-NH2 3.07Å; H489-V562 VanDerWaalsContact C-CG1 3.43Å; H489-V563 CarbonylContact C-O 3.46Å
490G77.4Confident83.7Confident14 Ų1461.7 Ų61.714%0.14432%0.316CS..  trans-78.4-178.1175.600000112.8V492 V493 R494 V562 V563G490-V492 VanDerWaalsContact C-N 3.31Å; G490-V492 PolarHBondContact O-N 3.15Å; G490-V493 PolarHBondContact O-N 3.08Å; G490-R494 VanDerWaalsContact O-CB 3.3Å; G490-R494 WeakPolarHBondContact O-CB 3.4Å; G490-R494 WeakPolarHBondContact O-CG 3.27Å; G490-R494 PolarHBondContact O-N 3.39Å; G490-V562 VanDerWaalsContact CA-CG1 3.46Å; G490-V563 WeakPolarHBondContact CA-O 3.43Å; G490-V563 PolarHBondContact N-O 2.88Å
491W69.5Low83.2Confident228 Ų22863 Ų6386%0.86432%0.323SS*.Hα-helixtrans-57.4-40.9-176.5172.779.8000113.2G495W491-G495 PolarHBondContact O-N 3.18Å; W491-G495 VanDerWaalsContact O-N 3.07Å
492V73.4Confident82.8Confident92 Ų9272.1 Ų72.156%0.55836%0.357SS*.Hα-helixtrans-66-51.5179.6-177.20000111.1G490 R494 G495 V496G490-V492 VanDerWaalsContact C-N 3.31Å; G490-V492 PolarHBondContact O-N 3.15Å; V492-R494 PolarHBondContact O-N 2.86Å; V492-G495 CarbonylContact O-C 3.54Å; V492-G495 WeakPolarHBondContact O-CA 3.45Å; V492-G495 PolarHBondContact O-N 2.83Å; V492-V496 PolarHBondContact O-N 2.96Å
493V78.4Confident82.3Confident41 Ų4172.2 Ų72.225%0.24835%0.354CS..Hα-helixtrans-71.2-31.3-176.3-171.70000111.6H489 G490 G495 V496 F497 V563H489-V493 HydrophobicContact CB-CB 4.13Å; H489-V493 HydrophobicContact CB-CG1 4.22Å; H489-V493 VanDerWaalsContact ND1-CG1 3.31Å; H489-V493 WeakPolarHBondContact ND1-CG1 3.42Å; G490-V493 PolarHBondContact O-N 3.08Å; V493-G495 VanDerWaalsContact C-N 3.28Å; V493-G495 PolarHBondContact O-N 2.7Å; V493-V496 PolarHBondContact O-N 3.36Å; V493-F497 PolarHBondContact O-N 3.21Å; V493-V563 WeakPolarHBondContact CB-O 3.43Å; V493-V563 WeakPolarHBondContact CG2-O 3.44Å
494R81.9Confident81.8Confident103 Ų10367.6 Ų67.639%0.38934%0.337SS..Hα-helixtrans-59.3-38.4165.7-73.9171.3-177.2166.113.5111.8Y481 R486 H489 G490 V492 F497 A498Y481-R494 WeakPolarHBondContact OH-CG 3.47Å; R486-R494 PolarHBondContact O-NE 3.47Å; R486-R494 VanDerWaalsContact O-NE 3.08Å; R486-R494 PolarHBondContact O-NH2 3.01Å; H489-R494 HydrophobicContact CB-CG 4.09Å; H489-R494 WeakPolarHBondContact O-CD 3.5Å; H489-R494 PolarHBondContact O-NE 2.97Å; H489-R494 PolarHBondContact O-NH2 3.19Å; H489-R494 VanDerWaalsContact O-NH2 3.07Å; G490-R494 VanDerWaalsContact O-CB 3.3Å; G490-R494 WeakPolarHBondContact O-CB 3.4Å; G490-R494 WeakPolarHBondContact O-CG 3.27Å; G490-R494 PolarHBondContact O-N 3.39Å; V492-R494 PolarHBondContact O-N 2.86Å; R494-F497 PolarHBondContact O-N 3.48Å; R494-A498 PolarHBondContact O-N 2.88Å
495G74.3Confident81.4Confident35 Ų3567.7 Ų67.736%0.36134%0.338SS..Hα-helixtrans-64.7-43173.100000113.3W491 V492 V493 A498 L499W491-G495 PolarHBondContact O-N 3.18Å; W491-G495 VanDerWaalsContact O-N 3.07Å; V492-G495 CarbonylContact O-C 3.54Å; V492-G495 WeakPolarHBondContact O-CA 3.45Å; V492-G495 PolarHBondContact O-N 2.83Å; V493-G495 VanDerWaalsContact C-N 3.28Å; V493-G495 PolarHBondContact O-N 2.7Å; G495-A498 PolarHBondContact O-N 3.43Å; G495-L499 PolarHBondContact O-N 3.4Å; G495-L499 VanDerWaalsContact O-N 3.14Å
496V76.4Confident81.3Confident66 Ų6670.8 Ų70.840%0.436%0.358SS..Hα-helixtrans-62.2-43.9174.2177.90000111P400 V492 V493 A498 L499 A500P400-V496 HydrophobicContact CG-CG1 4.49Å; V492-V496 PolarHBondContact O-N 2.96Å; V493-V496 PolarHBondContact O-N 3.36Å; V496-A498 VanDerWaalsContact C-N 3.34Å; V496-A498 PolarHBondContact O-N 2.87Å; V496-L499 PolarHBondContact O-N 3.5Å; V496-L499 VanDerWaalsContact O-N 3.16Å; V496-A500 PolarHBondContact O-N 3.43Å
497F81.1Confident81.2Confident33 Ų3366.7 Ų66.715%0.14534%0.343CS..Hα-helixtrans-59.5-43.3174.3-179.3-92.5000111.9F458 L477 Y481 V493 R494 L499 A500 L501F458-F497 HydrophobicContact CE2-CE2 4.34Å; F458-F497 HydrophobicContact CZ-CE2 4.12Å; L477-F497 HydrophobicContact CB-CZ 4.47Å; Y481-F497 AromaticContact CD1-CD1 3.43Å; Y481-F497 HydrophobicContact CD1-CD1 3.43Å; Y481-F497 VanDerWaalsContact CD1-CD1 3.43Å; Y481-F497 HydrophobicContact CD1-CD2 4.41Å; Y481-F497 AromaticContact CD1-CE1 3.39Å; Y481-F497 HydrophobicContact CD1-CE1 3.39Å; Y481-F497 HydrophobicContact CD1-CE2 4.38Å; Y481-F497 AromaticContact CD1-CG 3.97Å; Y481-F497 HydrophobicContact CD1-CG 3.97Å; Y481-F497 AromaticContact CD1-CZ 3.91Å; Y481-F497 HydrophobicContact CD1-CZ 3.91Å; Y481-F497 HydrophobicContact CD2-CD1 4.21Å; Y481-F497 AromaticContact CD2-CD2 3.69Å; Y481-F497 HydrophobicContact CD2-CD2 3.69Å; Y481-F497 HydrophobicContact CD2-CE1 4.23Å; Y481-F497 AromaticContact CD2-CE2 3.71Å; Y481-F497 HydrophobicContact CD2-CE2 3.71Å; Y481-F497 AromaticContact CD2-CG 3.96Å; Y481-F497 HydrophobicContact CD2-CG 3.96Å; Y481-F497 AromaticContact CD2-CZ 4Å; Y481-F497 HydrophobicContact CD2-CZ 4Å; Y481-F497 HydrophobicContact CE1-CB 4.31Å; Y481-F497 AromaticContact CE1-CD1 3.57Å; Y481-F497 HydrophobicContact CE1-CD1 3.57Å; Y481-F497 HydrophobicContact CE1-CE1 4.05Å; Y481-F497 AromaticContact CE1-CG 3.88Å; Y481-F497 HydrophobicContact CE1-CG 3.88Å; Y481-F497 HydrophobicContact CE2-CB 4.3Å; Y481-F497 HydrophobicContact CE2-CD1 4.36Å; Y481-F497 AromaticContact CE2-CD2 3.93Å; Y481-F497 HydrophobicContact CE2-CD2 3.93Å; Y481-F497 HydrophobicContact CE2-CE2 4.41Å; Y481-F497 AromaticContact CE2-CG 3.91Å; Y481-F497 HydrophobicContact CE2-CG 3.91Å; Y481-F497 AromaticContact CG-CD1 3.78Å; Y481-F497 HydrophobicContact CG-CD1 3.78Å; Y481-F497 AromaticContact CG-CD2 3.98Å; Y481-F497 HydrophobicContact CG-CD2 3.98Å; Y481-F497 AromaticContact CG-CE1 3.5Å; Y481-F497 HydrophobicContact CG-CE1 3.5Å; Y481-F497 AromaticContact CG-CE2 3.71Å; Y481-F497 HydrophobicContact CG-CE2 3.71Å; Y481-F497 HydrophobicContact CG-CG 4.02Å; Y481-F497 AromaticContact CG-CZ 3.48Å; Y481-F497 HydrophobicContact CG-CZ 3.48Å; Y481-F497 VanDerWaalsContact CG-CZ 3.48Å; Y481-F497 AromaticContact CZ-CG 3.86Å; V493-F497 PolarHBondContact O-N 3.21Å; R494-F497 PolarHBondContact O-N 3.48Å; F497-L499 PolarHBondContact O-N 3.5Å; F497-A500 PolarHBondContact O-N 2.89Å; F497-L501 HydrophobicContact CE1-CB 4.28Å; F497-L501 HydrophobicContact CE1-CD1 4.27Å; F497-L501 HydrophobicContact CE1-CD2 4.21Å; F497-L501 HydrophobicContact CZ-CD1 4.23Å; F497-L501 WeakPolarHBondContact O-CB 3.3Å; F497-L501 PolarHBondContact O-N 3.5Å
498A78.3Confident81.1Confident42 Ų4267.3 Ų67.335%0.34735%0.345SS..Hα-helixtrans-64.2-25.7177.600000113.7R494 G495 V496 R502R494-A498 PolarHBondContact O-N 2.88Å; G495-A498 PolarHBondContact O-N 3.43Å; V496-A498 VanDerWaalsContact C-N 3.34Å; V496-A498 PolarHBondContact O-N 2.87Å; A498-R502 WeakPolarHBondContact O-CG 3.29Å; A498-R502 PolarHBondContact O-N 2.87Å
499L77.3Confident81.1Confident113 Ų11368.7 Ų68.759%0.59236%0.36SS*.Hα-helixtrans-76.4-44.1170.9-67.9174.4000111.9G495 V496 F497 L501 R502 A503G495-L499 PolarHBondContact O-N 3.4Å; G495-L499 VanDerWaalsContact O-N 3.14Å; V496-L499 PolarHBondContact O-N 3.5Å; V496-L499 VanDerWaalsContact O-N 3.16Å; F497-L499 PolarHBondContact O-N 3.5Å; L499-L501 VanDerWaalsContact C-N 3.31Å; L499-L501 PolarHBondContact O-N 3.45Å; L499-R502 PolarHBondContact O-N 2.79Å; L499-A503 PolarHBondContact O-N 3.04Å
500A79.3Confident81.3Confident12 Ų1267.6 Ų67.610%0.09936%0.355CS..Hα-helixtrans-61.2-40.3174.900000111.7V496 F497 R502 A503 A504V496-A500 PolarHBondContact O-N 3.43Å; F497-A500 PolarHBondContact O-N 2.89Å; A500-R502 PolarHBondContact O-N 3.39Å; A500-A503 CarbonylContact O-C 3.59Å; A500-A503 WeakPolarHBondContact O-CA 3.49Å; A500-A503 PolarHBondContact O-N 2.98Å; A500-A503 VanDerWaalsContact O-N 3.07Å; A500-A504 PolarHBondContact O-N 2.86Å
501L84.1Confident81.8Confident27 Ų2767.2 Ų67.214%0.14135%0.35CS..Hα-helixtrans-59.9-44.1176.8-171.869.1000112.4Q474 L477 N478 F497 L499 A503 A504Q474-L501 HydrophobicContact CB-CD1 4.12Å; Q474-L501 HydrophobicContact CB-CG 4.4Å; Q474-L501 HydrophobicContact CG-CD1 4.46Å; Q474-L501 WeakPolarHBondContact CG-O 3.48Å; Q474-L501 PolarHBondContact NE2-O 2.97Å; Q474-L501 WeakPolarHBondContact O-CD1 3.38Å; L477-L501 HydrophobicContact CB-CD1 3.69Å; L477-L501 HydrophobicContact CD1-CD1 4.34Å; N478-L501 HydrophobicContact CB-CD1 4.28Å; N478-L501 HydrophobicContact CB-CD2 4.06Å; F497-L501 HydrophobicContact CE1-CB 4.28Å; F497-L501 HydrophobicContact CE1-CD1 4.27Å; F497-L501 HydrophobicContact CE1-CD2 4.21Å; F497-L501 HydrophobicContact CZ-CD1 4.23Å; F497-L501 WeakPolarHBondContact O-CB 3.3Å; F497-L501 PolarHBondContact O-N 3.5Å; L499-L501 VanDerWaalsContact C-N 3.31Å; L499-L501 PolarHBondContact O-N 3.45Å; L501-A503 PolarHBondContact O-N 3.15Å; L501-A504 WeakPolarHBondContact O-CB 3.49Å; L501-A504 PolarHBondContact O-N 2.58Å; L501-A504 VanDerWaalsContact O-N 3.1Å
502R82.2Confident82.7Confident199 Ų19958.1 Ų58.175%0.75132%0.324SS*.Hα-helixtrans-65.3-20.3175.6-74.9171.2175174.2-1113.7A498 L499 A500A498-R502 WeakPolarHBondContact O-CG 3.29Å; A498-R502 PolarHBondContact O-N 2.87Å; L499-R502 PolarHBondContact O-N 2.79Å; A500-R502 PolarHBondContact O-N 3.39Å
503A82.1Confident83.3Confident44 Ų4454 Ų5436%0.36430%0.299SS..THydrogen-bonded Turntrans-104.212176.100000112.8V397 L499 A500 L501V397-A503 HydrophobicContact CB-CB 3.96Å; V397-A503 HydrophobicContact CG1-CB 3.74Å; V397-A503 HydrophobicContact CG2-CB 3.94Å; L499-A503 PolarHBondContact O-N 3.04Å; A500-A503 CarbonylContact O-C 3.59Å; A500-A503 WeakPolarHBondContact O-CA 3.49Å; A500-A503 PolarHBondContact O-N 2.98Å; A500-A503 VanDerWaalsContact O-N 3.07Å; L501-A503 PolarHBondContact O-N 3.15Å
504A83Confident83.7Confident14 Ų1452.1 Ų52.112%0.11629%0.288CS..PPolyproline II helixtrans-64.4144.1177.600000111.1I473 Q474 L477 A500 L501I473-A504 HydrophobicContact CG2-CB 4.26Å; Q474-A504 HydrophobicContact CG-CB 3.94Å; L477-A504 HydrophobicContact CD1-CB 3.66Å; A500-A504 PolarHBondContact O-N 2.86Å; L501-A504 WeakPolarHBondContact O-CB 3.49Å; L501-A504 PolarHBondContact O-N 2.58Å; L501-A504 VanDerWaalsContact O-N 3.1Å
505P86.1Confident83.8Confident22 Ų2247.5 Ų47.514%0.14327%0.271CS..PPolyproline II helixtrans-67159.1-177.824.8-32.2000112.6L393 I473 F510L393-P505 HydrophobicContact CB-CG 4.27Å; L393-P505 HydrophobicContact CD2-CG 3.99Å; I473-P505 WeakPolarHBondContact CB-O 3.43Å; I473-P505 WeakPolarHBondContact CG1-O 3.31Å; I473-P505 HydrophobicContact CG2-CG 4.46Å; P505-F510 HydrophobicContact CG-CB 4.39Å
506T89.1Confident84Confident86 Ų8648.6 Ų48.653%0.52827%0.273SS..PPolyproline II helixtrans-65.4159.616776.40000110.5Q508 S509 F510T506-Q508 VanDerWaalsContact C-N 3.26Å; T506-Q508 PolarHBondContact O-N 2.66Å; T506-Q508 PolarHBondContact OG1-N 3.36Å; T506-S509 PolarHBondContact O-N 2.8Å; T506-S509 VanDerWaalsContact O-N 3.12Å; T506-S509 PolarHBondContact OG1-N 2.92Å; T506-S509 VanDerWaalsContact OG1-N 3.14Å; T506-S509 PolarHBondContact OG1-OG 3.08Å; T506-F510 WeakPolarHBondContact O-CB 3.36Å; T506-F510 PolarHBondContact O-N 3.22Å
507Y89.4Confident84.2Confident53 Ų5353.1 Ų53.121%0.20828%0.283CS..Hα-helixtrans-51.9-45.1174-170-100.9000112.7I466 K471 I473 S509 F510 T511I466-Y507 HydrophobicContact CG2-CE2 4.4Å; K471-Y507 VanDerWaalsContact CA-CD2 3.5Å; K471-Y507 HydrophobicContact CB-CD2 3.88Å; K471-Y507 HydrophobicContact CB-CE2 4.2Å; K471-Y507 HydrophobicContact CB-CG 4.16Å; K471-Y507 HydrophobicContact CG-CD2 4.02Å; K471-Y507 HydrophobicContact CG-CE1 4.37Å; K471-Y507 HydrophobicContact CG-CE2 3.84Å; K471-Y507 HydrophobicContact CG-CG 4.35Å; K471-Y507 WeakPolarHBondContact O-CB 3.37Å; K471-Y507 WeakPolarHBondContact O-CD2 3.2Å; I473-Y507 HydrophobicContact CD1-CD2 3.87Å; Y507-S509 PolarHBondContact O-N 2.86Å; Y507-F510 WeakPolarHBondContact O-CB 3.41Å; Y507-F510 PolarHBondContact O-N 2.66Å; Y507-T511 HydrophobicContact CD1-CG2 3.97Å; Y507-T511 HydrophobicContact CE1-CG2 3.58Å; Y507-T511 HydrophobicContact CE2-CG2 4.37Å; Y507-T511 WeakPolarHBondContact O-CG2 3.47Å; Y507-T511 PolarHBondContact O-N 2.8Å; Y507-T511 PolarHBondContact O-OG1 3.48Å
508Q88.8Confident84.2Confident128 Ų12861 Ų6160%0.59832%0.32SS*.Hα-helixtrans-64.2-40.8179.8-173.5178.62.900112T506 F510 T511 A512T506-Q508 VanDerWaalsContact C-N 3.26Å; T506-Q508 PolarHBondContact O-N 2.66Å; T506-Q508 PolarHBondContact OG1-N 3.36Å; Q508-F510 VanDerWaalsContact C-N 3.33Å; Q508-T511 WeakPolarHBondContact CA-OG1 3.12Å; Q508-T511 PolarHBondContact O-N 3.48Å; Q508-T511 PolarHBondContact O-OG1 3.29Å; Q508-A512 VanDerWaalsContact O-CB 3.3Å; Q508-A512 WeakPolarHBondContact O-CB 3.34Å; Q508-A512 PolarHBondContact O-N 3.06Å
509S86.8Confident84.2Confident65 Ų6560.3 Ų60.346%0.45532%0.316SS..Hα-helixtrans-66.9-35.9175.6-510000111.9T506 Y507 A513T506-S509 PolarHBondContact O-N 2.8Å; T506-S509 VanDerWaalsContact O-N 3.12Å; T506-S509 PolarHBondContact OG1-N 2.92Å; T506-S509 VanDerWaalsContact OG1-N 3.14Å; T506-S509 PolarHBondContact OG1-OG 3.08Å; Y507-S509 PolarHBondContact O-N 2.86Å; S509-A513 PolarHBondContact O-N 3Å
510F87.9Confident84.6Confident3 Ų355.7 Ų55.71%0.01329%0.293CS..Hα-helixtrans-67.6-44.9174174.6-93.1000111.8L393 F462 L463 I466 I473 P505 T506 Y507 Q508 A513 L514L393-F510 HydrophobicContact CD1-CD2 3.84Å; L393-F510 HydrophobicContact CD1-CE2 3.87Å; L393-F510 HydrophobicContact CD2-CB 4.25Å; L393-F510 HydrophobicContact CD2-CD2 3.49Å; L393-F510 VanDerWaalsContact CD2-CD2 3.49Å; L393-F510 HydrophobicContact CD2-CE2 4.21Å; L393-F510 HydrophobicContact CD2-CG 4.24Å; L393-F510 HydrophobicContact CG-CD2 4.33Å; F462-F510 AromaticContact CE1-CE2 3.56Å; F462-F510 HydrophobicContact CE1-CE2 3.56Å; F462-F510 AromaticContact CE1-CZ 3.88Å; F462-F510 HydrophobicContact CE1-CZ 3.88Å; F462-F510 HydrophobicContact CZ-CD2 4.11Å; F462-F510 AromaticContact CZ-CE2 3.47Å; F462-F510 HydrophobicContact CZ-CE2 3.47Å; F462-F510 VanDerWaalsContact CZ-CE2 3.47Å; F462-F510 AromaticContact CZ-CZ 3.81Å; F462-F510 HydrophobicContact CZ-CZ 3.81Å; L463-F510 HydrophobicContact CD2-CZ 4.17Å; I466-F510 HydrophobicContact CG1-CE1 4.29Å; I466-F510 HydrophobicContact CG1-CZ 4.43Å; I466-F510 HydrophobicContact CG2-CE1 4.1Å; I473-F510 HydrophobicContact CD1-CB 3.89Å; I473-F510 HydrophobicContact CD1-CD1 3.84Å; I473-F510 HydrophobicContact CD1-CD2 4.3Å; I473-F510 HydrophobicContact CD1-CE1 4.49Å; I473-F510 HydrophobicContact CD1-CG 3.74Å; I473-F510 HydrophobicContact CG1-CB 4.16Å; I473-F510 HydrophobicContact CG1-CG 4.47Å; P505-F510 HydrophobicContact CG-CB 4.39Å; T506-F510 WeakPolarHBondContact O-CB 3.36Å; T506-F510 PolarHBondContact O-N 3.22Å; Y507-F510 WeakPolarHBondContact O-CB 3.41Å; Y507-F510 PolarHBondContact O-N 2.66Å; Q508-F510 VanDerWaalsContact C-N 3.33Å; F510-A513 WeakPolarHBondContact O-CB 3.45Å; F510-A513 PolarHBondContact O-N 3.1Å; F510-A513 VanDerWaalsContact O-N 3.16Å; F510-L514 HydrophobicContact CD1-CD1 4.05Å; F510-L514 HydrophobicContact CE1-CD1 3.35Å; F510-L514 HydrophobicContact CE1-CG 4.36Å; F510-L514 HydrophobicContact CE2-CD1 4.41Å; F510-L514 HydrophobicContact CZ-CD1 3.57Å; F510-L514 HydrophobicContact CZ-CG 4.38Å; F510-L514 PolarHBondContact O-N 3.17Å
511T89.1Confident84.8Confident6 Ų656.3 Ų56.34%0.03729%0.293CS..Hα-helixtrans-68.9-38178.552.80000112.7Y507 Q508 A513 L514 V515 F526 M530Y507-T511 HydrophobicContact CD1-CG2 3.97Å; Y507-T511 HydrophobicContact CE1-CG2 3.58Å; Y507-T511 HydrophobicContact CE2-CG2 4.37Å; Y507-T511 WeakPolarHBondContact O-CG2 3.47Å; Y507-T511 PolarHBondContact O-N 2.8Å; Y507-T511 PolarHBondContact O-OG1 3.48Å; Q508-T511 WeakPolarHBondContact CA-OG1 3.12Å; Q508-T511 PolarHBondContact O-N 3.48Å; Q508-T511 PolarHBondContact O-OG1 3.29Å; T511-A513 PolarHBondContact O-N 2.99Å; T511-L514 PolarHBondContact O-N 2.93Å; T511-V515 PolarHBondContact O-N 3.16Å; T511-F526 HydrophobicContact CG2-CE1 3.66Å; T511-F526 HydrophobicContact CG2-CZ 4.04Å; T511-M530 HydrophobicContact CG2-CE 4.01Å
512A87.8Confident84.9Confident37 Ų3761.8 Ų61.831%0.30632%0.318SS..Hα-helixtrans-62.5-26.4171.900000112.5Q508 L514 V515 E521Q508-A512 VanDerWaalsContact O-CB 3.3Å; Q508-A512 WeakPolarHBondContact O-CB 3.34Å; Q508-A512 PolarHBondContact O-N 3.06Å; A512-L514 VanDerWaalsContact C-N 3.34Å; A512-V515 WeakPolarHBondContact O-CG2 3.44Å; A512-E521 HydrophobicContact CB-CG 4.09Å
513A85.9Confident85.2Confident4 Ų456 Ų563%0.03330%0.296CS..Hα-helixtrans-70.9-30171.800000113K392 L393 S509 F510 T511K392-A513 HydrophobicContact CB-CB 3.67Å; K392-A513 HydrophobicContact CD-CB 3.83Å; K392-A513 WeakPolarHBondContact CD-O 3.47Å; K392-A513 HydrophobicContact CG-CB 4.46Å; K392-A513 PolarHBondContact NZ-O 2.93Å; L393-A513 HydrophobicContact CD2-CB 3.62Å; S509-A513 PolarHBondContact O-N 3Å; F510-A513 WeakPolarHBondContact O-CB 3.45Å; F510-A513 PolarHBondContact O-N 3.1Å; F510-A513 VanDerWaalsContact O-N 3.16Å; T511-A513 PolarHBondContact O-N 2.99Å
514L86.2Confident85.3Confident3 Ų359.5 Ų59.52%0.01632%0.318CS..THydrogen-bonded Turntrans-913.9-174.9-68.4179.3000115.3F355 F356 V389 F510 T511 A512F355-L514 HydrophobicContact CB-CD2 4.32Å; F355-L514 WeakPolarHBondContact CB-O 3.28Å; F355-L514 HydrophobicContact CD1-CD2 4.23Å; F355-L514 HydrophobicContact CG-CD2 4.49Å; F355-L514 PolarHBondContact N-O 2.92Å; F356-L514 HydrophobicContact CE2-CD1 3.97Å; F356-L514 HydrophobicContact CE2-CD2 3.74Å; F356-L514 HydrophobicContact CE2-CG 4.41Å; F356-L514 HydrophobicContact CZ-CD2 3.81Å; V389-L514 HydrophobicContact CG1-CD2 3.93Å; V389-L514 HydrophobicContact CG2-CD2 4.22Å; F510-L514 HydrophobicContact CD1-CD1 4.05Å; F510-L514 HydrophobicContact CE1-CD1 3.35Å; F510-L514 HydrophobicContact CE1-CG 4.36Å; F510-L514 HydrophobicContact CE2-CD1 4.41Å; F510-L514 HydrophobicContact CZ-CD1 3.57Å; F510-L514 HydrophobicContact CZ-CG 4.38Å; F510-L514 PolarHBondContact O-N 3.17Å; T511-L514 PolarHBondContact O-N 2.93Å; A512-L514 VanDerWaalsContact C-N 3.34Å
515V85.6Confident85.5Confident6 Ų660.7 Ų60.74%0.03632%0.323CS..BIsolated β-bridgetrans-102.5152.1174.8-69.90000113.1V352 K392 T511 A512 R517 D520 E521 F526V352-V515 HydrophobicContact CG1-CG1 4.27Å; K392-V515 PolarHBondContact NZ-O 3.45Å; T511-V515 PolarHBondContact O-N 3.16Å; A512-V515 WeakPolarHBondContact O-CG2 3.44Å; V515-R517 WeakPolarHBondContact CG2-O 3.19Å; V515-D520 HydrophobicContact CB-CB 4.05Å; V515-D520 HydrophobicContact CG1-CB 3.94Å; V515-E521 HydrophobicContact CG1-CB 3.88Å; V515-E521 HydrophobicContact CG2-CB 4.25Å; V515-F526 HydrophobicContact CG1-CD2 3.75Å; V515-F526 HydrophobicContact CG1-CE2 3.42Å; V515-F526 VanDerWaalsContact CG1-CE2 3.42Å; V515-F526 HydrophobicContact CG1-CZ 4.09Å
516S78.4Confident85.6Confident58 Ų5859.8 Ų59.841%0.40632%0.317SS..SBendtrans-79.7-27.7177.8-53.70000112.5D353 T358D353-S516 WeakPolarHBondContact O-CB 3.49Å; D353-S516 PolarHBondContact O-N 2.92Å; D353-S516 PolarHBondContact O-OG 2.84Å; T358-S516 WeakPolarHBondContact CG2-OG 3.41Å; T358-S516 PolarHBondContact OG1-OG 3.1Å
517R80.9Confident85.6Confident160 Ų16059 Ų5960%0.60431%0.311SS*.SBendtrans-127.3136.9176.5-41168.976.6169.10.4108.7V515 G519 D520V515-R517 WeakPolarHBondContact CG2-O 3.19Å; R517-G519 PolarHBondContact O-N 2.8Å; R517-D520 VanDerWaalsContact CB-OD2 3.29Å; R517-D520 WeakPolarHBondContact CB-OD2 2.79Å; R517-D520 WeakPolarHBondContact CD-OD2 3.44Å; R517-D520 WeakPolarHBondContact CG-OD2 2.78Å; R517-D520 WeakPolarHBondContact O-CB 3.35Å; R517-D520 PolarHBondContact O-N 2.88Å
518E79.7Confident85.6Confident200 Ų20060.1 Ų60.194%0.93533%0.327SS*.THydrogen-bonded Turntrans-66.5128.5178.9-173.2172.8-165.200110.5
519G79Confident85.8Confident26 Ų2654 Ų5427%0.26830%0.299SS..THydrogen-bonded Turntrans98-15.3-174.800000114.6R517 E521 Q522R517-G519 PolarHBondContact O-N 2.8Å; G519-E521 VanDerWaalsContact CA-OE2 3.26Å; G519-E521 WeakPolarHBondContact CA-OE2 3.21Å; G519-E521 PolarHBondContact N-OE2 3.37Å; G519-E521 PolarHBondContact O-N 2.91Å; G519-Q522 PolarHBondContact O-N 2.88Å
520D86.2Confident86Confident17 Ų1751 Ų519%0.09128%0.278CS..G310 helixtrans-62.7-25.7173.8-88.3-31.7000111.6V352 V515 R517 Q522 R523V352-D520 HydrophobicContact CG1-CB 3.82Å; V352-D520 HydrophobicContact CG2-CB 4.22Å; V515-D520 HydrophobicContact CB-CB 4.05Å; V515-D520 HydrophobicContact CG1-CB 3.94Å; R517-D520 VanDerWaalsContact CB-OD2 3.29Å; R517-D520 WeakPolarHBondContact CB-OD2 2.79Å; R517-D520 WeakPolarHBondContact CD-OD2 3.44Å; R517-D520 WeakPolarHBondContact CG-OD2 2.78Å; R517-D520 WeakPolarHBondContact O-CB 3.35Å; R517-D520 PolarHBondContact O-N 2.88Å; D520-Q522 PolarHBondContact O-N 3.26Å; D520-R523 WeakPolarHBondContact O-CB 3.36Å; D520-R523 WeakPolarHBondContact O-CG 3.43Å; D520-R523 PolarHBondContact O-N 2.76Å; D520-R523 VanDerWaalsContact O-N 3.14Å; D520-R523 WeakPolarHBondContact OD1-CD 3.24Å; D520-R523 IonicContact OD1-CZ 3.83Å; D520-R523 IonicContact OD1-NE 3.4Å; D520-R523 IonicContact OD1-NH1 2.97Å; D520-R523 PolarHBondContact OD1-NH1 2.83Å
521E83.3Confident86.2Confident24 Ų2454.2 Ų54.211%0.11229%0.293CS..G310 helixtrans-69.3-14.2-179.878.8-65.9155.600113.6A512 V515 G519 F526A512-E521 HydrophobicContact CB-CG 4.09Å; V515-E521 HydrophobicContact CG1-CB 3.88Å; V515-E521 HydrophobicContact CG2-CB 4.25Å; G519-E521 VanDerWaalsContact CA-OE2 3.26Å; G519-E521 WeakPolarHBondContact CA-OE2 3.21Å; G519-E521 PolarHBondContact N-OE2 3.37Å; G519-E521 PolarHBondContact O-N 2.91Å; E521-F526 HydrophobicContact CB-CD1 4.23Å; E521-F526 HydrophobicContact CB-CE1 4.06Å; E521-F526 HydrophobicContact CB-CZ 4.28Å; E521-F526 WeakPolarHBondContact O-CD1 3.43Å
522Q86.2Confident86.4Confident142 Ų14258.8 Ų58.866%0.66431%0.309SS*.G310 helixtrans-90.5-7.3177.5-65.1163.553.600112.4G519 D520G519-Q522 PolarHBondContact O-N 2.88Å; D520-Q522 PolarHBondContact O-N 3.26Å
523R87.1Confident86.6Confident78 Ų7857.6 Ų57.629%0.29430%0.298SS..SBendtrans-77.2146.7-178.6-64.2172.447.2165.8-1.8112.1E350 V352 D520 D525 F526E350-R523 PolarHBondContact O-NH2 3.06Å; V352-R523 HydrophobicContact CG2-CB 4.02Å; V352-R523 HydrophobicContact CG2-CG 4.37Å; D520-R523 WeakPolarHBondContact O-CB 3.36Å; D520-R523 WeakPolarHBondContact O-CG 3.43Å; D520-R523 PolarHBondContact O-N 2.76Å; D520-R523 VanDerWaalsContact O-N 3.14Å; D520-R523 WeakPolarHBondContact OD1-CD 3.24Å; D520-R523 IonicContact OD1-CZ 3.83Å; D520-R523 IonicContact OD1-NE 3.4Å; D520-R523 IonicContact OD1-NH1 2.97Å; D520-R523 PolarHBondContact OD1-NH1 2.83Å; R523-D525 VanDerWaalsContact C-N 3.26Å; R523-D525 WeakPolarHBondContact CB-OD1 3.1Å; R523-D525 IonicContact CZ-OD1 2.73Å; R523-D525 IonicContact CZ-OD2 3.17Å; R523-D525 IonicContact NE-OD1 3.8Å; R523-D525 PolarHBondContact NE-OD1 2.77Å; R523-D525 VanDerWaalsContact NH2-CG 3.27Å; R523-D525 IonicContact NH2-OD1 2.94Å; R523-D525 PolarHBondContact NH2-OD1 2.66Å; R523-D525 IonicContact NH2-OD2 2.7Å; R523-D525 PolarHBondContact NH2-OD2 2.74Å; R523-D525 PolarHBondContact O-N 2.98Å; R523-F526 WeakPolarHBondContact O-CB 3.4Å; R523-F526 PolarHBondContact O-N 3.47Å
524S84.6Confident86.9Confident118 Ų11857.4 Ų57.483%0.82530%0.296SS*.THydrogen-bonded Turntrans-63.9-27.3-178.4490000114
525D87.8Confident87.3Confident38 Ų3859.2 Ų59.220%0.20332%0.315CS..THydrogen-bonded Turntrans-88.8-10.5179.968.1-60.3000114.4V352 R523 T527 S528 S529V352-D525 WeakPolarHBondContact CG2-OD2 3.22Å; V352-D525 PolarHBondContact N-OD2 3.36Å; R523-D525 VanDerWaalsContact C-N 3.26Å; R523-D525 WeakPolarHBondContact CB-OD1 3.1Å; R523-D525 IonicContact CZ-OD1 2.73Å; R523-D525 IonicContact CZ-OD2 3.17Å; R523-D525 IonicContact NE-OD1 3.8Å; R523-D525 PolarHBondContact NE-OD1 2.77Å; R523-D525 VanDerWaalsContact NH2-CG 3.27Å; R523-D525 IonicContact NH2-OD1 2.94Å; R523-D525 PolarHBondContact NH2-OD1 2.66Å; R523-D525 IonicContact NH2-OD2 2.7Å; R523-D525 PolarHBondContact NH2-OD2 2.74Å; R523-D525 PolarHBondContact O-N 2.98Å; D525-T527 PolarHBondContact O-N 2.89Å; D525-S528 PolarHBondContact O-N 2.83Å; D525-S529 WeakPolarHBondContact O-CB 3.48Å; D525-S529 PolarHBondContact O-N 3.24Å; D525-S529 PolarHBondContact O-OG 2.93Å
526F88.9Confident87.7Confident4 Ų463 Ų632%0.01834%0.338CS..Hα-helixtrans-58-45.8179167.9-115.7000112.4V352 T354 T511 V515 E521 R523 S528 S529 M530V352-F526 HydrophobicContact CB-CB 4.39Å; V352-F526 HydrophobicContact CG1-CB 4.32Å; V352-F526 HydrophobicContact CG1-CD2 3.72Å; V352-F526 HydrophobicContact CG1-CG 4.48Å; V352-F526 HydrophobicContact CG2-CB 4.14Å; T354-F526 HydrophobicContact CG2-CD2 4.23Å; T354-F526 HydrophobicContact CG2-CE2 4.15Å; T511-F526 HydrophobicContact CG2-CE1 3.66Å; T511-F526 HydrophobicContact CG2-CZ 4.04Å; V515-F526 HydrophobicContact CG1-CD2 3.75Å; V515-F526 HydrophobicContact CG1-CE2 3.42Å; V515-F526 VanDerWaalsContact CG1-CE2 3.42Å; V515-F526 HydrophobicContact CG1-CZ 4.09Å; E521-F526 HydrophobicContact CB-CD1 4.23Å; E521-F526 HydrophobicContact CB-CE1 4.06Å; E521-F526 HydrophobicContact CB-CZ 4.28Å; E521-F526 WeakPolarHBondContact O-CD1 3.43Å; R523-F526 WeakPolarHBondContact O-CB 3.4Å; R523-F526 PolarHBondContact O-N 3.47Å; F526-S528 VanDerWaalsContact C-N 3.32Å; F526-S528 PolarHBondContact O-N 2.91Å; F526-S529 PolarHBondContact O-N 3.33Å; F526-M530 HydrophobicContact CD1-CE 4.43Å; F526-M530 HydrophobicContact CE1-CE 3.46Å; F526-M530 VanDerWaalsContact CE1-CE 3.46Å; F526-M530 HydrophobicContact CE2-CE 4.17Å; F526-M530 HydrophobicContact CZ-CE 3.33Å; F526-M530 WeakPolarHBondContact O-CB 3.45Å; F526-M530 PolarHBondContact O-N 2.81Å
527T87.4Confident88.5Confident68 Ų6860.4 Ų60.442%0.41732%0.319SS..Hα-helixtrans-59.8-44.2-179.9-560000111.1D525 M530 H531D525-T527 PolarHBondContact O-N 2.89Å; T527-M530 PolarHBondContact O-N 3.09Å; T527-H531 PolarHBondContact O-N 2.86Å; T527-H531 VanDerWaalsContact O-N 3.09Å; T527-H531 PolarHBondContact O-ND1 3.31Å
528S90.8Very high89.1Confident78 Ų7853.2 Ų53.255%0.54529%0.293SS..Hα-helixtrans-66.6-38.6178.7-55.30000112.2D525 F526 H531 R532D525-S528 PolarHBondContact O-N 2.83Å; F526-S528 VanDerWaalsContact C-N 3.32Å; F526-S528 PolarHBondContact O-N 2.91Å; S528-H531 PolarHBondContact O-N 3.49Å; S528-R532 PolarHBondContact O-N 3.41Å
529S91.6Very high89.9Confident0 Ų047 Ų470%027%0.27CS..Hα-helixtrans-68-43.1177.9-51.30000111Q351 V352 D525 F526 H531 R532 D533Q351-S529 WeakPolarHBondContact CG-OG 3.12Å; Q351-S529 PolarHBondContact NE2-OG 3.25Å; V352-S529 WeakPolarHBondContact O-CB 3.41Å; D525-S529 WeakPolarHBondContact O-CB 3.48Å; D525-S529 PolarHBondContact O-N 3.24Å; D525-S529 PolarHBondContact O-OG 2.93Å; F526-S529 PolarHBondContact O-N 3.33Å; S529-H531 PolarHBondContact O-N 3.14Å; S529-R532 WeakPolarHBondContact O-CB 3.29Å; S529-R532 PolarHBondContact O-N 3.4Å; S529-D533 WeakPolarHBondContact O-CB 3.42Å; S529-D533 PolarHBondContact O-N 2.96Å
530M90.9Very high90.7Very high2 Ų246.7 Ų46.71%0.0127%0.265CS..Hα-helixtrans-57.9-45.7172.9-169.9-155-62.200112.1T354 I466 T511 F526 T527 R532 D533 L534T354-M530 HydrophobicContact CG2-CB 4.4Å; I466-M530 HydrophobicContact CG2-SD 4.16Å; T511-M530 HydrophobicContact CG2-CE 4.01Å; F526-M530 HydrophobicContact CD1-CE 4.43Å; F526-M530 HydrophobicContact CE1-CE 3.46Å; F526-M530 VanDerWaalsContact CE1-CE 3.46Å; F526-M530 HydrophobicContact CE2-CE 4.17Å; F526-M530 HydrophobicContact CZ-CE 3.33Å; F526-M530 WeakPolarHBondContact O-CB 3.45Å; F526-M530 PolarHBondContact O-N 2.81Å; T527-M530 PolarHBondContact O-N 3.09Å; M530-R532 PolarHBondContact O-N 2.76Å; M530-D533 PolarHBondContact O-N 2.75Å; M530-L534 HydrophobicContact CG-CD1 3.8Å; M530-L534 HydrophobicContact CG-CG 4.31Å; M530-L534 VanDerWaalsContact O-CB 3.31Å; M530-L534 WeakPolarHBondContact O-CB 3.48Å; M530-L534 WeakPolarHBondContact O-CG 3.46Å; M530-L534 PolarHBondContact O-N 3.25Å; M530-L534 HydrophobicContact SD-CD1 4.07Å
531H92.2Very high91.2Very high70 Ų7046 Ų4632%0.32426%0.261SS..Hα-helixtrans-65.9-36.2179.1-76.274.8000112.7N467 T527 S528 S529 G535N467-H531 PolarHBondContact O-CD2 2.58Å; N467-H531 PolarHBondContact O-NE2 3.4Å; N467-H531 WeakPolarHBondContact OD1-CA 3.4Å; T527-H531 PolarHBondContact O-N 2.86Å; T527-H531 VanDerWaalsContact O-N 3.09Å; T527-H531 PolarHBondContact O-ND1 3.31Å; S528-H531 PolarHBondContact O-N 3.49Å; S529-H531 PolarHBondContact O-N 3.14Å; H531-G535 WeakPolarHBondContact O-CA 3.44Å; H531-G535 PolarHBondContact O-N 2.99Å
532R93.4Very high91.8Very high102 Ų10249.3 Ų49.339%0.38528%0.276SS..Hα-helixtrans-62.9-50.9172.4178.4-163.465.7-166.5-8.3110.8S528 S529 M530 G535 V536S528-R532 PolarHBondContact O-N 3.41Å; S529-R532 WeakPolarHBondContact O-CB 3.29Å; S529-R532 PolarHBondContact O-N 3.4Å; M530-R532 PolarHBondContact O-N 2.76Å; R532-G535 WeakPolarHBondContact O-CA 3.36Å; R532-G535 PolarHBondContact O-N 2.89Å; R532-V536 PolarHBondContact O-N 2.69Å
533D92.8Very high92.3Very high12 Ų1248.1 Ų48.16%0.06427%0.269CS..Hα-helixtrans-70.6-43.3-171.5-58.2-12.9000111T354 F356 S529 M530 G535 V536 Y537T354-D533 WeakPolarHBondContact CB-OD2 3.34Å; T354-D533 WeakPolarHBondContact CG2-OD2 3.44Å; T354-D533 PolarHBondContact OG1-OD2 3.24Å; F356-D533 HydrophobicContact CB-CB 3.94Å; S529-D533 WeakPolarHBondContact O-CB 3.42Å; S529-D533 PolarHBondContact O-N 2.96Å; M530-D533 PolarHBondContact O-N 2.75Å; D533-G535 VanDerWaalsContact C-N 3.31Å; D533-G535 PolarHBondContact O-N 3.5Å; D533-V536 PolarHBondContact O-N 2.95Å; D533-Y537 VanDerWaalsContact O-CB 3.31Å; D533-Y537 WeakPolarHBondContact O-CB 3.4Å; D533-Y537 PolarHBondContact O-N 2.81Å
534L93.1Very high92.7Very high0 Ų044.7 Ų44.70%026%0.256CS..Hα-helixtrans-64.2-34.7170.4-72.2177.9000112.3F356 L463 N467 M530 V536 Y537 L538F356-L534 HydrophobicContact CD1-CD2 4.16Å; F356-L534 HydrophobicContact CD2-CD2 3.7Å; F356-L534 HydrophobicContact CD2-CG 4.08Å; F356-L534 HydrophobicContact CE1-CD2 4.02Å; F356-L534 HydrophobicContact CE2-CD2 3.54Å; F356-L534 HydrophobicContact CE2-CG 4.12Å; F356-L534 HydrophobicContact CG-CD2 4.01Å; F356-L534 HydrophobicContact CZ-CD2 3.72Å; L463-L534 HydrophobicContact CB-CD2 4.33Å; L463-L534 HydrophobicContact CD1-CD2 4.29Å; N467-L534 HydrophobicContact CB-CB 4.37Å; N467-L534 HydrophobicContact CB-CD1 3.95Å; M530-L534 HydrophobicContact CG-CD1 3.8Å; M530-L534 HydrophobicContact CG-CG 4.31Å; M530-L534 VanDerWaalsContact O-CB 3.31Å; M530-L534 WeakPolarHBondContact O-CB 3.48Å; M530-L534 WeakPolarHBondContact O-CG 3.46Å; M530-L534 PolarHBondContact O-N 3.25Å; M530-L534 HydrophobicContact SD-CD1 4.07Å; L534-V536 PolarHBondContact O-N 2.92Å; L534-Y537 HydrophobicContact CD2-CD1 4.4Å; L534-Y537 PolarHBondContact O-N 2.91Å; L534-L538 HydrophobicContact CB-CD1 4Å; L534-L538 HydrophobicContact CB-CG 4.33Å; L534-L538 HydrophobicContact CD2-CD1 4.3Å; L534-L538 HydrophobicContact CD2-CD2 4.41Å; L534-L538 HydrophobicContact CD2-CG 4.21Å; L534-L538 WeakPolarHBondContact O-CB 3.24Å; L534-L538 WeakPolarHBondContact O-CG 3.3Å; L534-L538 PolarHBondContact O-N 2.79Å
535G94.1Very high93.3Very high40 Ų4039.4 Ų39.441%0.41222%0.219SC..Hα-helixtrans-62.1-19.6174.100000114.6H531 R532 D533 P539H531-G535 WeakPolarHBondContact O-CA 3.44Å; H531-G535 PolarHBondContact O-N 2.99Å; R532-G535 WeakPolarHBondContact O-CA 3.36Å; R532-G535 PolarHBondContact O-N 2.89Å; D533-G535 VanDerWaalsContact C-N 3.31Å; D533-G535 PolarHBondContact O-N 3.5Å; G535-P539 WeakPolarHBondContact O-CD 3.36Å; G535-P539 WeakPolarHBondContact O-CG 3.33Å
536V94Very high93.7Very high86 Ų8639.6 Ų39.652%0.52123%0.226SC..Hα-helixtrans-98.2-42.3171.8177.90000111.3R532 D533 L534R532-V536 PolarHBondContact O-N 2.69Å; D533-V536 PolarHBondContact O-N 2.95Å; L534-V536 PolarHBondContact O-N 2.92Å
537Y93.9Very high94.1Very high3 Ų340.7 Ų40.71%0.01223%0.231CC..Hα-helixtrans-68.6-45-175.4-178.1-98.3000113.5F356 M359 F363 L463 D533 L534 A540 M541F356-Y537 AromaticContact CD1-CD1 3.9Å; F356-Y537 HydrophobicContact CD1-CD1 3.9Å; F356-Y537 HydrophobicContact CD1-CD2 4.2Å; F356-Y537 AromaticContact CD1-CE1 3.89Å; F356-Y537 HydrophobicContact CD1-CE1 3.89Å; F356-Y537 HydrophobicContact CD1-CE2 4.18Å; F356-Y537 HydrophobicContact CD1-CG 4.05Å; F356-Y537 HydrophobicContact CE1-CD1 4.16Å; F356-Y537 AromaticContact CE1-CE1 3.85Å; F356-Y537 HydrophobicContact CE1-CE1 3.85Å; M359-Y537 HydrophobicContact CE-CE2 4Å; M359-Y537 HydrophobicContact SD-CD2 4.3Å; M359-Y537 HydrophobicContact SD-CE2 3.63Å; F363-Y537 HydrophobicContact CD2-CD2 4.5Å; F363-Y537 AromaticContact CD2-CE2 3.69Å; F363-Y537 HydrophobicContact CD2-CE2 3.69Å; F363-Y537 AromaticContact CD2-CZ 3.72Å; F363-Y537 HydrophobicContact CE2-CE2 4.38Å; L463-Y537 HydrophobicContact CD1-CE1 4.13Å; D533-Y537 VanDerWaalsContact O-CB 3.31Å; D533-Y537 WeakPolarHBondContact O-CB 3.4Å; D533-Y537 PolarHBondContact O-N 2.81Å; L534-Y537 HydrophobicContact CD2-CD1 4.4Å; L534-Y537 PolarHBondContact O-N 2.91Å; Y537-A540 PolarHBondContact O-N 2.81Å; Y537-M541 HydrophobicContact CD1-CE 4.38Å; Y537-M541 HydrophobicContact CE1-CE 3.47Å; Y537-M541 VanDerWaalsContact CE1-CE 3.47Å; Y537-M541 PolarHBondContact O-N 2.87Å; Y537-M541 VanDerWaalsContact O-N 3.1Å
538L95.3Very high94.6Very high9 Ų937.4 Ų37.45%0.04721%0.211CC..Hα-helixtrans-69.4-44.1-174.4-60.9172.3000113.3K460 L463 N467 L534 A540 M541 E542K460-L538 HydrophobicContact CG-CD2 4.37Å; L463-L538 HydrophobicContact CB-CD1 4.37Å; L463-L538 HydrophobicContact CB-CD2 3.7Å; L463-L538 HydrophobicContact CD1-CD2 4.2Å; N467-L538 HydrophobicContact CB-CD1 4.2Å; L534-L538 HydrophobicContact CB-CD1 4Å; L534-L538 HydrophobicContact CB-CG 4.33Å; L534-L538 HydrophobicContact CD2-CD1 4.3Å; L534-L538 HydrophobicContact CD2-CD2 4.41Å; L534-L538 HydrophobicContact CD2-CG 4.21Å; L534-L538 WeakPolarHBondContact O-CB 3.24Å; L534-L538 WeakPolarHBondContact O-CG 3.3Å; L534-L538 PolarHBondContact O-N 2.79Å; L538-A540 VanDerWaalsContact C-N 3.29Å; L538-A540 PolarHBondContact O-N 2.95Å; L538-M541 PolarHBondContact O-N 3.06Å; L538-E542 VanDerWaalsContact O-CB 3.3Å; L538-E542 WeakPolarHBondContact O-CB 3.32Å; L538-E542 PolarHBondContact O-N 2.9Å
539P96.3Very high94.8Very high71 Ų7135.1 Ų35.146%0.46119%0.193SC..Hα-helixtrans-65.7-30.5176-23.436.3000113.5G535 K543G535-P539 WeakPolarHBondContact O-CD 3.36Å; G535-P539 WeakPolarHBondContact O-CG 3.33Å; P539-K543 WeakPolarHBondContact O-CB 3.17Å; P539-K543 PolarHBondContact O-N 3.01Å
540A95.5Very high95.1Very high18 Ų1841.9 Ų41.915%0.14922%0.222CC..Hα-helixtrans-69.7-47.4176.800000111.9F363 Y537 L538 E542 K543 Q544F363-A540 HydrophobicContact CB-CB 4.4Å; Y537-A540 PolarHBondContact O-N 2.81Å; L538-A540 VanDerWaalsContact C-N 3.29Å; L538-A540 PolarHBondContact O-N 2.95Å; A540-E542 VanDerWaalsContact C-N 3.33Å; A540-E542 PolarHBondContact O-N 2.94Å; A540-K543 PolarHBondContact O-N 3.44Å; A540-Q544 PolarHBondContact O-N 2.86Å; A540-Q544 PolarHBondContact O-OE1 2.94Å
541M95.6Very high95.3Very high2 Ų242.4 Ų42.41%0.0123%0.225CC..Hα-helixtrans-58.6-44.9172.1-175.3-169.3-72.900111F363 L456 L459 K460 Y537 L538 K543 Q544 L545F363-M541 HydrophobicContact CB-CB 4.29Å; F363-M541 HydrophobicContact CD2-CB 4.26Å; F363-M541 HydrophobicContact CD2-CE 3.61Å; F363-M541 HydrophobicContact CD2-CG 4.33Å; F363-M541 HydrophobicContact CE2-CE 3.5Å; F363-M541 VanDerWaalsContact CE2-CE 3.5Å; F363-M541 HydrophobicContact CG-CB 4.28Å; F363-M541 HydrophobicContact CZ-CE 4.41Å; L456-M541 HydrophobicContact CD2-CE 4.27Å; L456-M541 HydrophobicContact CD2-SD 4.47Å; L459-M541 HydrophobicContact CD2-CE 4.06Å; K460-M541 HydrophobicContact CB-SD 3.73Å; K460-M541 HydrophobicContact CG-SD 4.3Å; Y537-M541 HydrophobicContact CD1-CE 4.38Å; Y537-M541 HydrophobicContact CE1-CE 3.47Å; Y537-M541 VanDerWaalsContact CE1-CE 3.47Å; Y537-M541 PolarHBondContact O-N 2.87Å; Y537-M541 VanDerWaalsContact O-N 3.1Å; L538-M541 PolarHBondContact O-N 3.06Å; M541-K543 PolarHBondContact O-N 2.88Å; M541-Q544 PolarHBondContact O-N 3.5Å; M541-L545 HydrophobicContact CG-CD1 3.86Å; M541-L545 HydrophobicContact CG-CG 4.31Å; M541-L545 VanDerWaalsContact O-CG 3.29Å; M541-L545 WeakPolarHBondContact O-CG 3.35Å; M541-L545 PolarHBondContact O-N 3.19Å; M541-L545 HydrophobicContact SD-CD1 4.31Å
542E96.4Very high95.5Very high95 Ų9539 Ų3944%0.44421%0.21SC..Hα-helixtrans-60.8-40.8177.8179.2150.4-126.500112.8K460 L538 A540 Q544 L545 A546K460-E542 VanDerWaalsContact CE-OE2 3.24Å; K460-E542 WeakPolarHBondContact CE-OE2 3.34Å; K460-E542 IonicContact NZ-OE1 2.98Å; K460-E542 PolarHBondContact NZ-OE1 2.93Å; K460-E542 IonicContact NZ-OE2 2.64Å; K460-E542 PolarHBondContact NZ-OE2 3.44Å; L538-E542 VanDerWaalsContact O-CB 3.3Å; L538-E542 WeakPolarHBondContact O-CB 3.32Å; L538-E542 PolarHBondContact O-N 2.9Å; A540-E542 VanDerWaalsContact C-N 3.33Å; A540-E542 PolarHBondContact O-N 2.94Å; E542-Q544 PolarHBondContact O-N 2.86Å; E542-L545 PolarHBondContact O-N 3Å; E542-A546 VanDerWaalsContact O-CB 3.31Å; E542-A546 WeakPolarHBondContact O-CB 3.29Å; E542-A546 PolarHBondContact O-N 3.28Å
543K96.5Very high95.6Very high116 Ų11640.3 Ų40.350%0.50422%0.22SC..Hα-helixtrans-58.1-46.4173.8-175.8-172.5176.2-1700111.8L368 P539 A540 M541 A546 I547L368-K543 HydrophobicContact CD1-CD 4.28Å; P539-K543 WeakPolarHBondContact O-CB 3.17Å; P539-K543 PolarHBondContact O-N 3.01Å; A540-K543 PolarHBondContact O-N 3.44Å; M541-K543 PolarHBondContact O-N 2.88Å; K543-A546 PolarHBondContact O-N 2.84Å; K543-I547 HydrophobicContact CG-CD1 4.23Å; K543-I547 WeakPolarHBondContact O-CD1 3.45Å; K543-I547 WeakPolarHBondContact O-CG1 3.44Å; K543-I547 PolarHBondContact O-N 2.83Å; K543-I547 VanDerWaalsContact O-N 3.16Å
544Q95.9Very high95.7Very high6 Ų646.5 Ų46.53%0.02825%0.248CC..Hα-helixtrans-70-40.3-178.9-71.5143.87.600111.9F363 M366 L368 I374 F379 A540 M541 E542 A546 I547 L548F363-Q544 PolarHBondContact O-NE2 3.03Å; M366-Q544 HydrophobicContact SD-CG 4.3Å; L368-Q544 HydrophobicContact CD2-CG 4.33Å; I374-Q544 HydrophobicContact CD1-CB 4.25Å; F379-Q544 HydrophobicContact CE2-CB 4.39Å; A540-Q544 PolarHBondContact O-N 2.86Å; A540-Q544 PolarHBondContact O-OE1 2.94Å; M541-Q544 PolarHBondContact O-N 3.5Å; E542-Q544 PolarHBondContact O-N 2.86Å; Q544-A546 VanDerWaalsContact C-N 3.34Å; Q544-A546 PolarHBondContact O-N 3.21Å; Q544-I547 PolarHBondContact O-N 2.84Å; Q544-L548 PolarHBondContact O-N 3.24Å
545L96.9Very high95.7Very high8 Ų851 Ų514%0.04227%0.266CS..Hα-helixtrans-61.4-42173.1-67.1171.6000111.4R453 L456 K457 K460 M541 E542 I547 L548 D549R453-L545 HydrophobicContact CB-CD2 4.46Å; R453-L545 HydrophobicContact CG-CD2 3.83Å; L456-L545 HydrophobicContact CB-CD1 4.23Å; L456-L545 HydrophobicContact CB-CD2 3.72Å; L456-L545 HydrophobicContact CD1-CD2 4.15Å; K457-L545 HydrophobicContact CG-CD1 4.05Å; K457-L545 HydrophobicContact CG-CD2 4.5Å; K460-L545 HydrophobicContact CB-CD1 4.47Å; M541-L545 HydrophobicContact CG-CD1 3.86Å; M541-L545 HydrophobicContact CG-CG 4.31Å; M541-L545 VanDerWaalsContact O-CG 3.29Å; M541-L545 WeakPolarHBondContact O-CG 3.35Å; M541-L545 PolarHBondContact O-N 3.19Å; M541-L545 HydrophobicContact SD-CD1 4.31Å; E542-L545 PolarHBondContact O-N 3Å; L545-I547 VanDerWaalsContact C-N 3.28Å; L545-I547 PolarHBondContact O-N 3.22Å; L545-L548 PolarHBondContact O-N 2.77Å; L545-D549 WeakPolarHBondContact O-CB 3.19Å; L545-D549 PolarHBondContact O-N 3.02Å
546A97.3Very high95.7Very high42 Ų4253.8 Ų53.835%0.34728%0.28SS..Hα-helixtrans-68.4-21.6177.200000114.3E542 K543 Q544 K550E542-A546 VanDerWaalsContact O-CB 3.31Å; E542-A546 WeakPolarHBondContact O-CB 3.29Å; E542-A546 PolarHBondContact O-N 3.28Å; K543-A546 PolarHBondContact O-N 2.84Å; Q544-A546 VanDerWaalsContact C-N 3.34Å; Q544-A546 PolarHBondContact O-N 3.21Å; A546-K550 WeakPolarHBondContact O-CG 3.49Å
547I96.9Very high95.6Very high26 Ų2650.2 Ų50.213%0.13326%0.257CS..Hα-helixtrans-76.9-44.9170.4-69.7156.9000110L368 N372 I374 K543 Q544 L545 K550 L551L368-I547 HydrophobicContact CD1-CD1 3.51Å; N372-I547 HydrophobicContact CB-CD1 3.89Å; N372-I547 HydrophobicContact CB-CG1 4.28Å; I374-I547 HydrophobicContact CD1-CB 4.06Å; I374-I547 HydrophobicContact CD1-CG2 3.8Å; I374-I547 HydrophobicContact CG1-CG2 4.25Å; K543-I547 HydrophobicContact CG-CD1 4.23Å; K543-I547 WeakPolarHBondContact O-CD1 3.45Å; K543-I547 WeakPolarHBondContact O-CG1 3.44Å; K543-I547 PolarHBondContact O-N 2.83Å; K543-I547 VanDerWaalsContact O-N 3.16Å; Q544-I547 PolarHBondContact O-N 2.84Å; L545-I547 VanDerWaalsContact C-N 3.28Å; L545-I547 PolarHBondContact O-N 3.22Å; I547-K550 PolarHBondContact O-N 3.4Å; I547-L551 PolarHBondContact O-N 2.89Å
548L97Very high95.5Very high0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-66.1-36.5176.1-66.3174.8000112.3I374 F379 L426 L449 Q544 L545 K550 L551 Y552I374-L548 HydrophobicContact CD1-CD1 4.38Å; I374-L548 HydrophobicContact CD1-CD2 3.87Å; I374-L548 HydrophobicContact CD1-CG 3.73Å; F379-L548 HydrophobicContact CE2-CD1 4.1Å; F379-L548 HydrophobicContact CZ-CD1 3.85Å; L426-L548 HydrophobicContact CB-CD2 4.23Å; L426-L548 HydrophobicContact CD1-CD1 4.21Å; L426-L548 HydrophobicContact CD1-CD2 4.03Å; L449-L548 HydrophobicContact CD1-CD1 4.09Å; L449-L548 HydrophobicContact CD2-CD2 4.15Å; Q544-L548 PolarHBondContact O-N 3.24Å; L545-L548 PolarHBondContact O-N 2.77Å; L548-K550 PolarHBondContact O-N 3Å; L548-L551 HydrophobicContact CD2-CD2 4.43Å; L548-L551 WeakPolarHBondContact O-CB 3.31Å; L548-L551 PolarHBondContact O-N 3.41Å; L548-Y552 VanDerWaalsContact O-CD2 3.25Å; L548-Y552 WeakPolarHBondContact O-CD2 3.44Å; L548-Y552 PolarHBondContact O-N 3.39Å
549D96.1Very high95Very high30 Ų3053.7 Ų53.716%0.1628%0.276CS..Hα-helixtrans-55.6-51.9174.7-74.1-6.1000111R453 K457 L545 L551 Y552 E553R453-D549 WeakPolarHBondContact CD-OD1 3.36Å; R453-D549 IonicContact CZ-OD1 2.75Å; R453-D549 IonicContact NE-OD1 2.71Å; R453-D549 IonicContact NH1-OD1 3.77Å; R453-D549 PolarHBondContact NH1-OD1 2.89Å; K457-D549 WeakPolarHBondContact CE-OD1 3.3Å; K457-D549 WeakPolarHBondContact CE-OD2 3.35Å; K457-D549 IonicContact NZ-OD1 2.94Å; K457-D549 PolarHBondContact NZ-OD1 3.3Å; K457-D549 IonicContact NZ-OD2 3.3Å; K457-D549 PolarHBondContact NZ-OD2 3.31Å; L545-D549 WeakPolarHBondContact O-CB 3.19Å; L545-D549 PolarHBondContact O-N 3.02Å; D549-L551 VanDerWaalsContact C-N 3.32Å; D549-L551 PolarHBondContact O-N 2.95Å; D549-Y552 PolarHBondContact O-N 2.81Å; D549-Y552 VanDerWaalsContact O-N 3.1Å; D549-E553 WeakPolarHBondContact O-CG 3.38Å; D549-E553 PolarHBondContact O-N 3.41Å
550K96.6Very high94.2Very high141 Ų14157.1 Ų57.161%0.61329%0.29SS*.Hα-helixtrans-59.8-40177.6-70.5172.9-177.4178.90112.9A546 I547 L548 Y552 E553 E554A546-K550 WeakPolarHBondContact O-CG 3.49Å; I547-K550 PolarHBondContact O-N 3.4Å; L548-K550 PolarHBondContact O-N 3Å; K550-Y552 VanDerWaalsContact C-N 3.34Å; K550-Y552 PolarHBondContact O-N 3.41Å; K550-E553 PolarHBondContact O-N 3.29Å; K550-E554 WeakPolarHBondContact O-CB 3.3Å; K550-E554 PolarHBondContact O-N 2.72Å
551L96.2Very high93.3Very high13 Ų1362.9 Ų62.97%0.06831%0.314CS..Hα-helixtrans-61.7-42175.5-177.574.3000111.6Q427 V430 I547 L548 D549 Y555Q427-L551 HydrophobicContact CG-CD1 4.26Å; Q427-L551 HydrophobicContact CG-CD2 4.2Å; V430-L551 HydrophobicContact CB-CD2 4.03Å; V430-L551 HydrophobicContact CG1-CD2 4.13Å; V430-L551 HydrophobicContact CG1-CG 4.44Å; V430-L551 HydrophobicContact CG2-CD2 4.12Å; I547-L551 PolarHBondContact O-N 2.89Å; L548-L551 HydrophobicContact CD2-CD2 4.43Å; L548-L551 WeakPolarHBondContact O-CB 3.31Å; L548-L551 PolarHBondContact O-N 3.41Å; D549-L551 VanDerWaalsContact C-N 3.32Å; D549-L551 PolarHBondContact O-N 2.95Å; L551-Y555 HydrophobicContact CD1-CD2 3.98Å; L551-Y555 HydrophobicContact CD1-CE2 4.04Å; L551-Y555 WeakPolarHBondContact O-CD2 3.2Å; L551-Y555 PolarHBondContact O-N 3.33Å
552Y95.8Very high92.5Very high0 Ų066.6 Ų66.60%034%0.337CS..Hα-helixtrans-74.5-32179.3-84.2-107.9000112.5V430 T446 L449 L450 L548 D549 K550 S556 L557V430-Y552 HydrophobicContact CG2-CE2 4.41Å; T446-Y552 HydrophobicContact CG2-CE1 3.97Å; T446-Y552 PolarHBondContact O-OH 2.95Å; L449-Y552 WeakPolarHBondContact CB-OH 3.43Å; L449-Y552 HydrophobicContact CD2-CE2 4.26Å; L449-Y552 HydrophobicContact CG-CE2 4.32Å; L450-Y552 HydrophobicContact CB-CE1 3.81Å; L450-Y552 HydrophobicContact CD1-CD1 3.96Å; L450-Y552 HydrophobicContact CD1-CE1 3.99Å; L450-Y552 HydrophobicContact CG-CE1 4.41Å; L450-Y552 PolarHBondContact N-OH 3.08Å; L548-Y552 VanDerWaalsContact O-CD2 3.25Å; L548-Y552 WeakPolarHBondContact O-CD2 3.44Å; L548-Y552 PolarHBondContact O-N 3.39Å; D549-Y552 PolarHBondContact O-N 2.81Å; D549-Y552 VanDerWaalsContact O-N 3.1Å; K550-Y552 VanDerWaalsContact C-N 3.34Å; K550-Y552 PolarHBondContact O-N 3.41Å; Y552-S556 PolarHBondContact O-N 3.11Å; Y552-L557 HydrophobicContact CD1-CB 3.5Å; Y552-L557 VanDerWaalsContact CD1-CB 3.5Å; Y552-L557 HydrophobicContact CE1-CB 3.98Å; Y552-L557 HydrophobicContact CG-CB 4.08Å; Y552-L557 PolarHBondContact O-N 3.1Å
553E95.2Very high91.3Very high128 Ų12866.7 Ų66.760%0.59834%0.344SS*.Hα-helixtrans-67.7-51.9171.6-71.9170.4-173.400111.6D549 K550 Y555 S556D549-E553 WeakPolarHBondContact O-CG 3.38Å; D549-E553 PolarHBondContact O-N 3.41Å; K550-E553 PolarHBondContact O-N 3.29Å; E553-Y555 VanDerWaalsContact C-N 3.34Å; E553-Y555 PolarHBondContact O-N 2.57Å; E553-S556 PolarHBondContact O-N 3.26Å; E553-S556 VanDerWaalsContact O-N 3.11Å
554E95.3Very high91.1Very high142 Ų14264.2 Ų64.266%0.66434%0.336SS*.Hα-helixtrans-57.6-43.5-177.1-179.6174.3-168.600112.4K550K550-E554 WeakPolarHBondContact O-CB 3.3Å; K550-E554 PolarHBondContact O-N 2.72Å
555Y93.7Very high90.8Very high94 Ų9467.3 Ų67.337%0.36935%0.352SS..THydrogen-bonded Turntrans-93.16.3-179.4-69.9-86000113.9L431 V434 L551 E553 L557L431-Y555 HydrophobicContact CD2-CD1 4.36Å; L431-Y555 HydrophobicContact CD2-CD2 4.22Å; L431-Y555 HydrophobicContact CD2-CE1 3.71Å; L431-Y555 HydrophobicContact CD2-CE2 3.57Å; L431-Y555 WeakPolarHBondContact CD2-OH 3.01Å; V434-Y555 HydrophobicContact CG1-CD1 4.14Å; L551-Y555 HydrophobicContact CD1-CD2 3.98Å; L551-Y555 HydrophobicContact CD1-CE2 4.04Å; L551-Y555 WeakPolarHBondContact O-CD2 3.2Å; L551-Y555 PolarHBondContact O-N 3.33Å; E553-Y555 VanDerWaalsContact C-N 3.34Å; E553-Y555 PolarHBondContact O-N 2.57Å; Y555-L557 PolarHBondContact O-N 2.75Å
556S92.8Very high90.5Very high100 Ų10070.6 Ų70.670%0.69937%0.369SS*.THydrogen-bonded Turntrans53.548.7-179.5-58.40000113.3Y552 E553Y552-S556 PolarHBondContact O-N 3.11Å; E553-S556 PolarHBondContact O-N 3.26Å; E553-S556 VanDerWaalsContact O-N 3.11Å
557L92.5Very high90.1Very high10 Ų1072.2 Ų72.25%0.05237%0.37CS..  trans-103.9-2.6-176.2-57174.9000113.6V430 V434 A439 T446 Y552 Y555 S559V430-L557 HydrophobicContact CG1-CD1 3.38Å; V434-L557 HydrophobicContact CG2-CD1 3.9Å; V434-L557 HydrophobicContact CG2-CD2 3.94Å; V434-L557 HydrophobicContact CG2-CG 4.47Å; A439-L557 HydrophobicContact CB-CD2 4.24Å; T446-L557 HydrophobicContact CG2-CD1 3.94Å; Y552-L557 HydrophobicContact CD1-CB 3.5Å; Y552-L557 VanDerWaalsContact CD1-CB 3.5Å; Y552-L557 HydrophobicContact CE1-CB 3.98Å; Y552-L557 HydrophobicContact CG-CB 4.08Å; Y552-L557 PolarHBondContact O-N 3.1Å; Y555-L557 PolarHBondContact O-N 2.75Å; L557-S559 PolarHBondContact O-N 3.45Å
558E91.1Very high89.7Confident63 Ų6375.1 Ų75.129%0.29439%0.385SS..  trans-63.6124166.4-73.9-70.4-174.900110R453 R454R453-E558 IonicContact CZ-OE1 3.79Å; R453-E558 IonicContact NH1-OE1 2.7Å; R453-E558 PolarHBondContact NH1-OE1 3Å; R453-E558 IonicContact NH2-OE1 2.83Å; R453-E558 PolarHBondContact NH2-OE1 3.15Å; R453-E558 IonicContact NH2-OE2 3.28Å; R453-E558 PolarHBondContact NH2-OE2 2.78Å; R454-E558 IonicContact CZ-OE2 3.2Å; R454-E558 IonicContact NE-OE2 2.87Å; R454-E558 IonicContact NH2-OE2 2.58Å; R454-E558 PolarHBondContact NH2-OE2 2.67Å
559S85Confident89.2Confident23 Ų2380.1 Ų80.116%0.16141%0.411CS..  trans-108.9122.9172.7178.10000110.2R454 L557 E561R454-S559 PolarHBondContact NH1-O 2.91Å; R454-S559 PolarHBondContact NH2-O 3.08Å; L557-S559 PolarHBondContact O-N 3.45Å; S559-E561 PolarHBondContact O-N 2.89Å; S559-E561 WeakPolarHBondContact OG-CB 3.27Å; S559-E561 VanDerWaalsContact OG-CG 3.32Å; S559-E561 WeakPolarHBondContact OG-CG 3.46Å; S559-E561 PolarHBondContact OG-N 2.96Å
560D80.1Confident88.7Confident142 Ų14283.7 Ų83.776%0.75943%0.429SS*.  trans-77.57.6172.9-70-38.2000112.9V562D560-V562 WeakPolarHBondContact O-CG2 3.39Å
561E76.4Confident88.1Confident139 Ų13979.3 Ų79.365%0.6541%0.414SS*.  trans-59.3142.6175.2-74.1-179155.400112.6S559S559-E561 PolarHBondContact O-N 2.89Å; S559-E561 WeakPolarHBondContact OG-CB 3.27Å; S559-E561 VanDerWaalsContact OG-CG 3.32Å; S559-E561 WeakPolarHBondContact OG-CG 3.46Å; S559-E561 PolarHBondContact OG-N 2.96Å
562V78.6Confident87.4Confident81 Ų8184.8 Ų84.849%0.49144%0.443SS..  trans-120.1126-170.7177.90000110Y488 H489 G490 D560Y488-V562 VanDerWaalsContact O-CA 3.31Å; Y488-V562 WeakPolarHBondContact O-CA 3.48Å; H489-V562 VanDerWaalsContact C-CG1 3.43Å; G490-V562 VanDerWaalsContact CA-CG1 3.46Å; D560-V562 WeakPolarHBondContact O-CG2 3.39Å
563V72.3Confident86.6Confident96 Ų9692.5 Ų92.558%0.58248%0.484SS*.  trans-101.10-173.5-63.90000114.9W451 Y488 H489 G490 V493W451-V563 HydrophobicContact CH2-CB 4.41Å; W451-V563 HydrophobicContact CH2-CG1 3.8Å; W451-V563 HydrophobicContact CH2-CG2 3.72Å; W451-V563 HydrophobicContact CZ2-CG1 3.62Å; W451-V563 HydrophobicContact CZ2-CG2 4.35Å; W451-V563 HydrophobicContact CZ3-CG2 4.07Å; Y488-V563 PolarHBondContact O-N 3.22Å; H489-V563 CarbonylContact C-O 3.46Å; G490-V563 WeakPolarHBondContact CA-O 3.43Å; G490-V563 PolarHBondContact N-O 2.88Å; V493-V563 WeakPolarHBondContact CB-O 3.43Å; V493-V563 WeakPolarHBondContact CG2-O 3.44Å

Retrieved 563 of 563 residues in 2020.8 ms (Link to these results)

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