A0A087XT20_POEFO Loading...

ORM1-like protein

Plays an essential role in the homeostatic regulation of sphingolipid de novo biosynthesis by modulating the activity of the serine palmitoyltransferase (SPT) in response to ceramide levels. When complexed to SPT, the binding of ceramides to its N-terminus stabilizes a conformation that block SPT substrate entry, hence preventing SPT catalytic activity. Through this mechanism, maintains ceramide levels at sufficient concentrations for the production of complex sphingolipids, but which prevents the accumulation of ceramides to levels that trigger apoptosis.

AlphaFold DB , UniProt , Accession A0A087XT20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 157 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
1T46.2Very low54.9Low196 Ų196142.2 Ų142.2100%1.20283%0.828SS**  0108.20-39.20000107.2E3T1-E3 PolarHBondContact O-N 3.05Å
2Q47.4Very low54.7Low200 Ų200144.8 Ų144.894%0.93583%0.826SS**  trans-80.3109.6178.9-76.6-169-0.500108.7G4Q2-G4 PolarHBondContact O-N 3.32Å; Q2-G4 VanDerWaalsContact O-N 3.15Å
3E51.7Low55.4Low190 Ų190141.2 Ų141.289%0.88882%0.815SS**  trans-65.5107.5165.5-95.8-177.4148.600108.4T1 K5T1-E3 PolarHBondContact O-N 3.05Å; E3-K5 PolarHBondContact O-N 3.25Å
4G54.8Low56.4Low71 Ų71136 Ų13673%0.73278%0.78SS**  trans-62.7105.8168.300000109.1Q2 M6Q2-G4 PolarHBondContact O-N 3.32Å; Q2-G4 VanDerWaalsContact O-N 3.15Å; G4-M6 PolarHBondContact O-N 3.11Å
5K57Low57.9Low194 Ų194131.1 Ų131.184%0.84375%0.753SS**  trans-60.7100.4163.2-86.6-178.2174.1178.60107.8E3 N7E3-K5 PolarHBondContact O-N 3.25Å; K5-N7 PolarHBondContact O-N 3.31Å
6M61.7Low59.6Low168 Ų168123.9 Ų123.983%0.82871%0.711SS**  trans-64105.4163.9-78.3-168.7-67.100107.9G4 V8G4-M6 PolarHBondContact O-N 3.11Å; M6-V8 PolarHBondContact O-N 2.77Å
7N60.7Low61.2Low156 Ų156119.6 Ų119.683%0.83469%0.689SS**  trans-70.184.6162.7-80-15.3000107.5K5 G9K5-N7 PolarHBondContact O-N 3.31Å; N7-G9 PolarHBondContact O-N 3.23Å
8V61.8Low62.8Low123 Ų123114.4 Ų114.475%0.74566%0.658SS**  trans-6791163.4-105.20000106.6M6 V10M6-V8 PolarHBondContact O-N 2.77Å; V8-V10 PolarHBondContact O-N 3.02Å
9G52.9Low64.1Low70 Ų70108.8 Ų108.872%0.72263%0.626SS**  trans-57.3110.1167.400000107.5N7 A11N7-G9 PolarHBondContact O-N 3.23Å; G9-A11 PolarHBondContact O-N 3.3Å
10V57.4Low65.2Low109 Ų109110.1 Ų110.166%0.66162%0.62SS**  trans-67.9106.3171.1-175.20000105.4V8 H12V8-V10 PolarHBondContact O-N 3.02Å; V10-H12 PolarHBondContact O-N 3.45Å
11A51.7Low66.1Low87 Ų87107.5 Ų107.572%0.71961%0.607SS**  trans-61.8105.3168.500000106.8G9 S13G9-A11 PolarHBondContact O-N 3.3Å; A11-S13 PolarHBondContact O-N 3.03Å
12H53.5Low68.1Low174 Ų17498.8 Ų98.881%0.80655%0.553SS**  trans-7182169.2-67.4-77000107.4V10V10-H12 PolarHBondContact O-N 3.45Å
13S63.8Low70Confident98 Ų9892.6 Ų92.669%0.68553%0.526SS*.  trans-66.3132.7165.954.80000108.1A11 V15A11-S13 PolarHBondContact O-N 3.03Å; S13-V15 PolarHBondContact O-N 3.22Å; S13-V15 VanDerWaalsContact O-N 3.14Å
14E68.3Low71.9Confident68 Ų6886.5 Ų86.532%0.31850%0.504SS..  trans-56.7120172.7-69.2-65.5169.800109.6N16 R20 Y96E14-N16 PolarHBondContact O-N 3.09Å; E14-R20 VanDerWaalsContact CD-CD 3.49Å; E14-R20 WeakPolarHBondContact OE1-CD 3.48Å; E14-R20 IonicContact OE1-CZ 3.77Å; E14-R20 IonicContact OE1-NE 3.78Å; E14-R20 IonicContact OE1-NH1 2.96Å; E14-R20 PolarHBondContact OE1-NH1 2.96Å; E14-Y96 PolarHBondContact OE1-OH 3.39Å; E14-Y96 PolarHBondContact OE2-OH 3.42Å
15V79.2Confident73.5Confident63 Ų6393.7 Ų93.738%0.38251%0.509SS..SBendtrans-68.4-26.4179172.30000111.5S13 P80 D81S13-V15 PolarHBondContact O-N 3.22Å; S13-V15 VanDerWaalsContact O-N 3.14Å; V15-P80 HydrophobicContact CG1-CB 3.87Å; V15-P80 HydrophobicContact CG2-CB 4.38Å; V15-D81 HydrophobicContact CG1-CB 4.01Å
16N86.1Confident75.3Confident15 Ų1586.2 Ų86.28%0.0849%0.487CS..  trans-130.1105.4176.5176.9-16.2000109.2E14 N18 T19 T75 Q93E14-N16 PolarHBondContact O-N 3.09Å; N16-N18 VanDerWaalsContact C-N 3.26Å; N16-N18 PolarHBondContact O-N 3.24Å; N16-N18 WeakPolarHBondContact OD1-CA 3.35Å; N16-N18 WeakPolarHBondContact OD1-CB 3.41Å; N16-N18 PolarHBondContact OD1-N 3.27Å; N16-T19 HydrophobicContact CB-CG2 3.91Å; N16-T19 WeakPolarHBondContact O-CB 3.44Å; N16-T19 WeakPolarHBondContact O-CG2 3.39Å; N16-T19 PolarHBondContact O-N 3.1Å; N16-T19 PolarHBondContact O-OG1 3.34Å; N16-T75 HydrophobicContact CB-CG2 4.19Å; N16-T75 WeakPolarHBondContact OD1-CG2 3.42Å; N16-Q93 PolarHBondContact ND2-OE1 3.48Å; N16-Q93 PolarHBondContact OD1-OE1 2.99Å
17P86.2Confident76.8Confident51 Ų5181 Ų8133%0.33146%0.462SS..G310 helixtrans-68-23.2-178.626.9-33.5000113.3T19 R20 V21 E78P17-T19 PolarHBondContact O-N 2.86Å; P17-R20 PolarHBondContact O-N 2.88Å; P17-R20 VanDerWaalsContact O-N 3.11Å; P17-V21 WeakPolarHBondContact O-CB 3.44Å; P17-V21 PolarHBondContact O-N 2.83Å; P17-E78 HydrophobicContact CG-CG 4.34Å
18N89Confident78.4Confident26 Ų2676.7 Ų76.714%0.13943%0.434CS..G310 helixtrans-64.8-20.5178.1-61.8-26.4000112.5N16 R20 G74 T75 H90 Q93N16-N18 VanDerWaalsContact C-N 3.26Å; N16-N18 PolarHBondContact O-N 3.24Å; N16-N18 WeakPolarHBondContact OD1-CA 3.35Å; N16-N18 WeakPolarHBondContact OD1-CB 3.41Å; N16-N18 PolarHBondContact OD1-N 3.27Å; N18-R20 PolarHBondContact O-N 2.91Å; N18-G74 PolarHBondContact ND2-O 3.45Å; N18-T75 HydrophobicContact CB-CG2 4.48Å; N18-T75 VanDerWaalsContact ND2-CG2 3.3Å; N18-T75 WeakPolarHBondContact ND2-CG2 3.26Å; N18-H90 VanDerWaalsContact CG-CE1 3.43Å; N18-H90 VanDerWaalsContact CG-ND1 3.3Å; N18-H90 PolarHBondContact OD1-CE1 2.92Å; N18-H90 PolarHBondContact OD1-ND1 3.38Å; N18-Q93 HydrophobicContact CB-CB 4.1Å; N18-Q93 PolarHBondContact ND2-OE1 3.31Å
19T88Confident80Confident8 Ų875.7 Ų75.75%0.04942%0.424CS..G310 helixtrans-65.9-29.1175.863.30000112N16 P17 D95 Y96N16-T19 HydrophobicContact CB-CG2 3.91Å; N16-T19 WeakPolarHBondContact O-CB 3.44Å; N16-T19 WeakPolarHBondContact O-CG2 3.39Å; N16-T19 PolarHBondContact O-N 3.1Å; N16-T19 PolarHBondContact O-OG1 3.34Å; P17-T19 PolarHBondContact O-N 2.86Å; T19-D95 VanDerWaalsContact O-CA 3.29Å; T19-D95 WeakPolarHBondContact O-CA 3.45Å; T19-D95 PolarHBondContact O-N 3.38Å; T19-Y96 HydrophobicContact CG2-CD1 3.65Å; T19-Y96 HydrophobicContact CG2-CE1 3.72Å; T19-Y96 HydrophobicContact CG2-CG 4.29Å
20R87Confident82Confident134 Ų13475.8 Ų75.851%0.50641%0.411SS..THydrogen-bonded Turntrans-127.3-10.1-172.2-68.4-176.168.1-155.3-2.4115.3E14 P17 N18 M22 N23 Y96E14-R20 VanDerWaalsContact CD-CD 3.49Å; E14-R20 WeakPolarHBondContact OE1-CD 3.48Å; E14-R20 IonicContact OE1-CZ 3.77Å; E14-R20 IonicContact OE1-NE 3.78Å; E14-R20 IonicContact OE1-NH1 2.96Å; E14-R20 PolarHBondContact OE1-NH1 2.96Å; P17-R20 PolarHBondContact O-N 2.88Å; P17-R20 VanDerWaalsContact O-N 3.11Å; N18-R20 PolarHBondContact O-N 2.91Å; R20-M22 PolarHBondContact O-N 3.44Å; R20-M22 VanDerWaalsContact O-N 3.15Å; R20-N23 WeakPolarHBondContact O-CB 3.34Å; R20-N23 PolarHBondContact O-N 3.37Å; R20-Y96 WeakPolarHBondContact CD-OH 3.35Å; R20-Y96 HydrophobicContact CG-CE2 4.26Å
21V83.6Confident83.9Confident57 Ų5772 Ų7235%0.34539%0.385SS..G310 helixtrans-47.4-47.4179.4125.50000111.2P17 N23 S24 I27P17-V21 WeakPolarHBondContact O-CB 3.44Å; P17-V21 PolarHBondContact O-N 2.83Å; V21-N23 PolarHBondContact O-N 2.92Å; V21-N23 VanDerWaalsContact O-N 3.12Å; V21-S24 PolarHBondContact O-N 3.26Å; V21-I27 HydrophobicContact CG1-CD1 4.13Å; V21-I27 HydrophobicContact CG2-CD1 4.49Å; V21-I27 WeakPolarHBondContact O-CD1 3.26Å
22M87.4Confident86Confident13 Ų1371.8 Ų71.86%0.06437%0.371CS..G310 helixtrans-72.8-7.5-175.8-155.660.267.900114.1R20 S24 I27 W28 F68 M94 S103 L107R20-M22 PolarHBondContact O-N 3.44Å; R20-M22 VanDerWaalsContact O-N 3.15Å; M22-S24 VanDerWaalsContact C-N 3.3Å; M22-S24 PolarHBondContact O-N 3.03Å; M22-I27 HydrophobicContact CE-CG2 4.39Å; M22-I27 HydrophobicContact SD-CG2 3.45Å; M22-I27 WeakPolarHBondContact SD-CG2 3.44Å; M22-W28 PolarHBondContact O-NE1 3.45Å; M22-F68 HydrophobicContact CE-CE1 4.16Å; M22-M94 HydrophobicContact CB-CG 4.26Å; M22-M94 HydrophobicContact CB-SD 3.49Å; M22-M94 WeakPolarHBondContact CB-SD 3.45Å; M22-M94 HydrophobicContact CG-SD 3.71Å; M22-S103 PolarHBondContact O-OG 2.74Å; M22-S103 VanDerWaalsContact O-OG 3.11Å; M22-L107 HydrophobicContact CE-CD1 3.89Å; M22-L107 HydrophobicContact CE-CD2 4.49Å; M22-L107 HydrophobicContact CG-CD1 3.71Å; M22-L107 HydrophobicContact CG-CG 4.25Å; M22-L107 HydrophobicContact SD-CD1 4.02Å; M22-L107 HydrophobicContact SD-CD2 4.17Å; M22-L107 HydrophobicContact SD-CG 4.39Å
23N88.2Confident88.2Confident70 Ų7067.9 Ų67.937%0.37436%0.356SS..G310 helixtrans-80.2-9.6-180-70.7-41.1000113.9R20 V21 D95 S103R20-N23 WeakPolarHBondContact O-CB 3.34Å; R20-N23 PolarHBondContact O-N 3.37Å; V21-N23 PolarHBondContact O-N 2.92Å; V21-N23 VanDerWaalsContact O-N 3.12Å; N23-D95 PolarHBondContact ND2-OD1 3.37Å; N23-D95 PolarHBondContact OD1-OD1 3.25Å; N23-S103 PolarHBondContact OD1-OG 3.3Å
24S90.7Very high89.8Confident61 Ų6168.7 Ų68.743%0.42735%0.352SS..  trans-76.8130.8177.6178.80000112.1V21 M22 G26 I27 W28V21-S24 PolarHBondContact O-N 3.26Å; M22-S24 VanDerWaalsContact C-N 3.3Å; M22-S24 PolarHBondContact O-N 3.03Å; S24-G26 PolarHBondContact O-N 3.08Å; S24-G26 PolarHBondContact OG-N 2.86Å; S24-I27 PolarHBondContact O-N 2.69Å; S24-I27 VanDerWaalsContact O-N 3.08Å; S24-W28 PolarHBondContact O-N 3.41Å
25R89.9Confident91.2Very high222 Ų22266.6 Ų66.684%0.83834%0.344SS*.Hα-helixtrans-58.1-32.5171.9-65.5-175.9-177.8176.40.5112.5I27 W28 L29R25-I27 VanDerWaalsContact C-N 3.29Å; R25-I27 PolarHBondContact O-N 2.82Å; R25-W28 PolarHBondContact O-N 3.14Å; R25-L29 PolarHBondContact O-N 3.13Å
26G93.4Very high92.1Very high37 Ų3767.5 Ų67.538%0.38135%0.349SS..Hα-helixtrans-63.9-35.8177.600000112.3S24 T30S24-G26 PolarHBondContact O-N 3.08Å; S24-G26 PolarHBondContact OG-N 2.86Å; G26-T30 WeakPolarHBondContact O-CB 3.29Å; G26-T30 PolarHBondContact O-N 2.85Å; G26-T30 PolarHBondContact O-OG1 2.86Å
27I93.3Very high92.7Very high58 Ų5870.6 Ų70.630%0.29737%0.369SS..Hα-helixtrans-71-39.8176.5-77.9166000110.9V21 M22 S24 R25 L29 T30 Y31V21-I27 HydrophobicContact CG1-CD1 4.13Å; V21-I27 HydrophobicContact CG2-CD1 4.49Å; V21-I27 WeakPolarHBondContact O-CD1 3.26Å; M22-I27 HydrophobicContact CE-CG2 4.39Å; M22-I27 HydrophobicContact SD-CG2 3.45Å; M22-I27 WeakPolarHBondContact SD-CG2 3.44Å; S24-I27 PolarHBondContact O-N 2.69Å; S24-I27 VanDerWaalsContact O-N 3.08Å; R25-I27 VanDerWaalsContact C-N 3.29Å; R25-I27 PolarHBondContact O-N 2.82Å; I27-L29 VanDerWaalsContact C-N 3.35Å; I27-L29 PolarHBondContact O-N 3.08Å; I27-T30 PolarHBondContact O-N 3.44Å; I27-Y31 WeakPolarHBondContact O-CB 3.25Å; I27-Y31 PolarHBondContact O-N 3.47Å
28W94.2Very high93.3Very high67 Ų6770.2 Ų70.225%0.25436%0.364SS..Hα-helixtrans-61.7-44.9175-66.413.5000111.5M22 S24 R25 Y31 L32 F106M22-W28 PolarHBondContact O-NE1 3.45Å; S24-W28 PolarHBondContact O-N 3.41Å; R25-W28 PolarHBondContact O-N 3.14Å; W28-Y31 PolarHBondContact O-N 3.5Å; W28-L32 WeakPolarHBondContact O-CG 3.26Å; W28-L32 PolarHBondContact O-N 3.49Å; W28-F106 HydrophobicContact CB-CE1 4.07Å; W28-F106 HydrophobicContact CB-CE2 4.46Å; W28-F106 HydrophobicContact CB-CZ 3.94Å; W28-F106 HydrophobicContact CD2-CD1 4.16Å; W28-F106 HydrophobicContact CD2-CD2 4.27Å; W28-F106 HydrophobicContact CD2-CE1 4.4Å; W28-F106 HydrophobicContact CD2-CG 4.08Å; W28-F106 HydrophobicContact CE3-CD2 4.09Å; W28-F106 HydrophobicContact CE3-CE2 4.38Å; W28-F106 HydrophobicContact CE3-CG 4.28Å; W28-F106 HydrophobicContact CG-CD1 4.09Å; W28-F106 AromaticContact CG-CE1 3.94Å; W28-F106 HydrophobicContact CG-CE1 3.94Å; W28-F106 HydrophobicContact CG-CG 4.46Å; W28-F106 HydrophobicContact CG-CZ 4.18Å; W28-F106 HydrophobicContact CH2-CB 4.41Å; W28-F106 HydrophobicContact CZ2-CB 4.27Å; W28-F106 HydrophobicContact CZ3-CD2 4.49Å
29L96Very high93.8Very high101 Ų10170.2 Ų70.253%0.52936%0.363SS..Hα-helixtrans-61.3-46.8175.8178.761.3000111.3R25 I27 Y31 L32 L33R25-L29 PolarHBondContact O-N 3.13Å; I27-L29 VanDerWaalsContact C-N 3.35Å; I27-L29 PolarHBondContact O-N 3.08Å; L29-Y31 VanDerWaalsContact C-N 3.33Å; L29-Y31 PolarHBondContact O-N 2.92Å; L29-L32 PolarHBondContact O-N 3.42Å; L29-L33 HydrophobicContact CD1-CD1 4.19Å; L29-L33 HydrophobicContact CD1-CG 4.17Å; L29-L33 HydrophobicContact CG-CD1 3.96Å; L29-L33 HydrophobicContact CG-CG 4.37Å; L29-L33 WeakPolarHBondContact O-CB 3.35Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.46Å
30T95.7Very high94.2Very high73 Ų7374.3 Ų74.345%0.44838%0.383SS..Hα-helixtrans-59.9-44.1179-57.90000111.3G26 I27 L32 L33 L34G26-T30 WeakPolarHBondContact O-CB 3.29Å; G26-T30 PolarHBondContact O-N 2.85Å; G26-T30 PolarHBondContact O-OG1 2.86Å; I27-T30 PolarHBondContact O-N 3.44Å; T30-L32 PolarHBondContact O-N 3.02Å; T30-L33 PolarHBondContact O-N 3.15Å; T30-L34 HydrophobicContact CG2-CD1 4.03Å; T30-L34 HydrophobicContact CG2-CG 4.32Å; T30-L34 WeakPolarHBondContact O-CB 3.46Å; T30-L34 VanDerWaalsContact O-CG 3.29Å; T30-L34 WeakPolarHBondContact O-CG 3.34Å; T30-L34 PolarHBondContact O-N 3.49Å
31Y96.3Very high94.8Very high28 Ų2872 Ų7211%0.1138%0.384CS..Hα-helixtrans-59.1-45.4175.9162.7-93.3000112.6I27 W28 L29 L34 T35 H61 M65 F106 S110I27-Y31 WeakPolarHBondContact O-CB 3.25Å; I27-Y31 PolarHBondContact O-N 3.47Å; W28-Y31 PolarHBondContact O-N 3.5Å; L29-Y31 VanDerWaalsContact C-N 3.33Å; L29-Y31 PolarHBondContact O-N 2.92Å; Y31-L34 PolarHBondContact O-N 2.8Å; Y31-T35 PolarHBondContact O-N 3.22Å; Y31-T35 VanDerWaalsContact O-N 3.08Å; Y31-T35 PolarHBondContact O-OG1 3.41Å; Y31-H61 AromaticContact CE2-NE2 3.38Å; Y31-H61 WeakPolarHBondContact CE2-NE2 3.25Å; Y31-H61 AromaticContact CZ-NE2 3.34Å; Y31-H61 VanDerWaalsContact CZ-NE2 3.34Å; Y31-H61 PolarHBondContact OH-CE1 3.16Å; Y31-H61 VanDerWaalsContact OH-CE1 3.24Å; Y31-H61 PolarHBondContact OH-NE2 3Å; Y31-M65 HydrophobicContact CD2-SD 4.1Å; Y31-M65 HydrophobicContact CE2-CE 4.15Å; Y31-M65 HydrophobicContact CE2-CG 4.32Å; Y31-M65 HydrophobicContact CE2-SD 3.6Å; Y31-M65 VanDerWaalsContact CE2-SD 3.6Å; Y31-F106 AromaticContact CD1-CE1 3.47Å; Y31-F106 HydrophobicContact CD1-CE1 3.47Å; Y31-F106 VanDerWaalsContact CD1-CE1 3.47Å; Y31-F106 AromaticContact CD1-CZ 3.51Å; Y31-F106 HydrophobicContact CD1-CZ 3.51Å; Y31-F106 AromaticContact CE1-CE1 3.78Å; Y31-F106 HydrophobicContact CE1-CE1 3.78Å; Y31-F106 AromaticContact CE1-CZ 3.8Å; Y31-F106 HydrophobicContact CE1-CZ 3.8Å; Y31-F106 HydrophobicContact CG-CE1 4.24Å; Y31-S110 WeakPolarHBondContact OH-CB 3.4Å
32L97.1Very high95.5Very high83 Ų8370 Ų7044%0.43537%0.371SS..Hα-helixtrans-63.9-44.7176.6-68174.3000111.3W28 L29 T30 L34 T35 V36 F106W28-L32 WeakPolarHBondContact O-CG 3.26Å; W28-L32 PolarHBondContact O-N 3.49Å; L29-L32 PolarHBondContact O-N 3.42Å; T30-L32 PolarHBondContact O-N 3.02Å; L32-L34 PolarHBondContact O-N 2.97Å; L32-T35 WeakPolarHBondContact O-CB 3.37Å; L32-T35 PolarHBondContact O-N 3.12Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 3.38Å; L32-F106 HydrophobicContact CD1-CZ 4.45Å; L32-F106 HydrophobicContact CD2-CE2 4.44Å; L32-F106 HydrophobicContact CD2-CZ 4.16Å; L32-F106 HydrophobicContact CG-CZ 4.1Å
33L97.9Very high96Very high93 Ų9373.3 Ų73.349%0.48739%0.389SS..Hα-helixtrans-61.3-44.7177.7-72174.1000111.8L29 T30 T35 V36 V37L29-L33 HydrophobicContact CD1-CD1 4.19Å; L29-L33 HydrophobicContact CD1-CG 4.17Å; L29-L33 HydrophobicContact CG-CD1 3.96Å; L29-L33 HydrophobicContact CG-CG 4.37Å; L29-L33 WeakPolarHBondContact O-CB 3.35Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.46Å; T30-L33 PolarHBondContact O-N 3.15Å; L33-T35 VanDerWaalsContact C-N 3.28Å; L33-T35 PolarHBondContact O-N 3.14Å; L33-V36 PolarHBondContact O-N 3.1Å; L33-V37 WeakPolarHBondContact O-CB 3.47Å; L33-V37 VanDerWaalsContact O-CG2 3.26Å; L33-V37 WeakPolarHBondContact O-CG2 3.16Å; L33-V37 PolarHBondContact O-N 3.47Å
34L98.1Very high96.5Very high115 Ų11574.2 Ų74.260%0.60240%0.4SS*.Hα-helixtrans-60.8-38.9176.6-73.1173.6000111.8T30 Y31 L32 V37 L38T30-L34 HydrophobicContact CG2-CD1 4.03Å; T30-L34 HydrophobicContact CG2-CG 4.32Å; T30-L34 WeakPolarHBondContact O-CB 3.46Å; T30-L34 VanDerWaalsContact O-CG 3.29Å; T30-L34 WeakPolarHBondContact O-CG 3.34Å; T30-L34 PolarHBondContact O-N 3.49Å; Y31-L34 PolarHBondContact O-N 2.8Å; L32-L34 PolarHBondContact O-N 2.97Å; L34-V37 PolarHBondContact O-N 3.38Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 PolarHBondContact O-N 2.95Å
35T98.2Very high96.8Very high24 Ų2474.1 Ų74.115%0.14740%0.395CS..Hα-helixtrans-65.4-43176.4-55.80000111.5Y31 L32 L33 H39 L114Y31-T35 PolarHBondContact O-N 3.22Å; Y31-T35 VanDerWaalsContact O-N 3.08Å; Y31-T35 PolarHBondContact O-OG1 3.41Å; L32-T35 WeakPolarHBondContact O-CB 3.37Å; L32-T35 PolarHBondContact O-N 3.12Å; L33-T35 VanDerWaalsContact C-N 3.28Å; L33-T35 PolarHBondContact O-N 3.14Å; T35-H39 PolarHBondContact O-N 2.98Å; T35-H39 VanDerWaalsContact O-N 3.12Å; T35-L114 HydrophobicContact CG2-CD2 4.27Å
36V98.3Very high97Very high81 Ų8168.9 Ų68.949%0.49139%0.39SS..Hα-helixtrans-67-43.7176.8171.60000111.3L32 L33 L38 H39 I40L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 3.38Å; L33-V36 PolarHBondContact O-N 3.1Å; V36-L38 PolarHBondContact O-N 2.93Å; V36-H39 WeakPolarHBondContact O-CB 3.29Å; V36-H39 PolarHBondContact O-N 3.39Å; V36-H39 VanDerWaalsContact O-N 3.14Å; V36-I40 HydrophobicContact CG1-CD1 3.77Å; V36-I40 HydrophobicContact CG1-CG1 4.37Å; V36-I40 WeakPolarHBondContact O-CG1 3.34Å; V36-I40 PolarHBondContact O-N 3.41Å
37V98.6Very high97.1Very high81 Ų8175.9 Ų75.949%0.49141%0.41SS..Hα-helixtrans-60.8-45.8177.1168.20000110.5L33 L34 H39 I40 V41L33-V37 WeakPolarHBondContact O-CB 3.47Å; L33-V37 VanDerWaalsContact O-CG2 3.26Å; L33-V37 WeakPolarHBondContact O-CG2 3.16Å; L33-V37 PolarHBondContact O-N 3.47Å; L34-V37 PolarHBondContact O-N 3.38Å; V37-H39 VanDerWaalsContact C-N 3.28Å; V37-H39 PolarHBondContact O-N 3.46Å; V37-I40 PolarHBondContact O-N 3.31Å; V37-V41 HydrophobicContact CG1-CG2 4.22Å; V37-V41 WeakPolarHBondContact O-CB 3.4Å; V37-V41 VanDerWaalsContact O-CG2 3.26Å; V37-V41 WeakPolarHBondContact O-CG2 3.42Å; V37-V41 PolarHBondContact O-N 2.96Å
38L98.5Very high97.3Very high43 Ų4376.7 Ų76.723%0.22541%0.411CS..Hα-helixtrans-52.6-48.1172.9170.364.6000111.2L34 V36 V41 L42 T57 I60L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 PolarHBondContact O-N 2.95Å; V36-L38 PolarHBondContact O-N 2.93Å; L38-V41 PolarHBondContact O-N 3.5Å; L38-L42 HydrophobicContact CD1-CD1 3.99Å; L38-L42 HydrophobicContact CD1-CG 4.24Å; L38-L42 HydrophobicContact CG-CD1 4.15Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 2.9Å; L38-T57 HydrophobicContact CD2-CG2 4.38Å; L38-I60 HydrophobicContact CD1-CD1 4.42Å; L38-I60 HydrophobicContact CD1-CG2 4Å; L38-I60 HydrophobicContact CD2-CB 4.11Å; L38-I60 HydrophobicContact CD2-CG2 3.75Å
39H98.4Very high97.5Very high26 Ų2676.5 Ų76.512%0.1242%0.42CS..Hα-helixtrans-62.2-45.1-179.8-169.267.9000112.5T35 V36 V37 L42 L43 W54 T57T35-H39 PolarHBondContact O-N 2.98Å; T35-H39 VanDerWaalsContact O-N 3.12Å; V36-H39 WeakPolarHBondContact O-CB 3.29Å; V36-H39 PolarHBondContact O-N 3.39Å; V36-H39 VanDerWaalsContact O-N 3.14Å; V37-H39 VanDerWaalsContact C-N 3.28Å; V37-H39 PolarHBondContact O-N 3.46Å; H39-L42 PolarHBondContact O-N 2.9Å; H39-L43 WeakPolarHBondContact O-CG 3.45Å; H39-L43 PolarHBondContact O-N 2.93Å; H39-W54 AromaticContact CE1-CD2 3.55Å; H39-W54 AromaticContact CE1-CE2 3.44Å; H39-W54 VanDerWaalsContact CE1-CE2 3.44Å; H39-W54 AromaticContact CE1-CE3 3.97Å; H39-W54 AromaticContact CE1-CG 3.92Å; H39-W54 AromaticContact CE1-CZ2 3.81Å; H39-W54 AromaticContact CE1-NE1 3.74Å; H39-W54 AromaticContact NE2-CE2 3.59Å; H39-W54 AromaticContact NE2-CZ2 3.59Å; H39-W54 AromaticContact NE2-NE1 3.86Å; H39-T57 HydrophobicContact CB-CG2 3.97Å; H39-T57 PolarHBondContact ND1-OG1 3.22Å
40I98.4Very high97.6Very high94 Ų9475.4 Ų75.448%0.48242%0.417SS..Hα-helixtrans-63.6-42.6178-68.3169.8000111.2V36 V37 L42 L43 S44V36-I40 HydrophobicContact CG1-CD1 3.77Å; V36-I40 HydrophobicContact CG1-CG1 4.37Å; V36-I40 WeakPolarHBondContact O-CG1 3.34Å; V36-I40 PolarHBondContact O-N 3.41Å; V37-I40 PolarHBondContact O-N 3.31Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.33Å; I40-L43 PolarHBondContact O-N 3.39Å; I40-S44 PolarHBondContact O-N 3.43Å; I40-S44 PolarHBondContact O-OG 3.35Å
41V98.6Very high97.7Very high85 Ų8573.9 Ų73.952%0.51541%0.409SS..Hα-helixtrans-59.4-45.1176.4168.40000110.4V37 L38 S44V37-V41 HydrophobicContact CG1-CG2 4.22Å; V37-V41 WeakPolarHBondContact O-CB 3.4Å; V37-V41 VanDerWaalsContact O-CG2 3.26Å; V37-V41 WeakPolarHBondContact O-CG2 3.42Å; V37-V41 PolarHBondContact O-N 2.96Å; L38-V41 PolarHBondContact O-N 3.5Å; V41-S44 WeakPolarHBondContact O-CB 3.49Å; V41-S44 PolarHBondContact O-N 2.9Å
42L98.4Very high97.8Very high15 Ų1575.3 Ų75.38%0.07942%0.418CS..Hα-helixtrans-66.4-39.2177.1-68.6170.6000112.7L38 H39 I40 S44 I45 F48 V53 L56 T57 I60L38-L42 HydrophobicContact CD1-CD1 3.99Å; L38-L42 HydrophobicContact CD1-CG 4.24Å; L38-L42 HydrophobicContact CG-CD1 4.15Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 2.9Å; H39-L42 PolarHBondContact O-N 2.9Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.33Å; L42-S44 PolarHBondContact O-N 3.23Å; L42-I45 HydrophobicContact CD2-CD1 4.29Å; L42-I45 WeakPolarHBondContact O-CB 3.26Å; L42-I45 PolarHBondContact O-N 2.92Å; L42-F48 HydrophobicContact CD2-CE2 4.1Å; L42-V53 HydrophobicContact CB-CB 4.47Å; L42-V53 HydrophobicContact CB-CG1 3.56Å; L42-V53 HydrophobicContact CB-CG2 4.36Å; L42-L56 HydrophobicContact CD1-CB 3.97Å; L42-L56 HydrophobicContact CD2-CD1 4.49Å; L42-T57 WeakPolarHBondContact CD1-OG1 3.33Å; L42-I60 HydrophobicContact CD1-CD1 4.25Å; L42-I60 HydrophobicContact CD2-CD1 4.36Å
43L98.3Very high97.8Very high82 Ų8271.4 Ų71.443%0.42940%0.398SS..Hα-helixtrans-63.1-26174.5-78.7175.5000112.7H39 I40 I45 V50 V53H39-L43 WeakPolarHBondContact O-CG 3.45Å; H39-L43 PolarHBondContact O-N 2.93Å; I40-L43 PolarHBondContact O-N 3.39Å; L43-I45 PolarHBondContact O-N 3.03Å; L43-V50 HydrophobicContact CD2-CG2 4.44Å; L43-V53 HydrophobicContact CD2-CB 4.08Å; L43-V53 HydrophobicContact CD2-CG1 3.83Å; L43-V53 HydrophobicContact CD2-CG2 4.15Å; L43-V53 HydrophobicContact CG-CG1 3.79Å
44S97.7Very high97.9Very high89 Ų8968.4 Ų68.462%0.62238%0.38SS*.THydrogen-bonded Turntrans-76.6-4.4-179.5-55.60000113.1I40 V41 L42I40-S44 PolarHBondContact O-N 3.43Å; I40-S44 PolarHBondContact O-OG 3.35Å; V41-S44 WeakPolarHBondContact O-CB 3.49Å; V41-S44 PolarHBondContact O-N 2.9Å; L42-S44 PolarHBondContact O-N 3.23Å
45I97.8Very high97.9Very high60 Ų6063.3 Ų63.331%0.30835%0.354SS..SBendtrans-86.3116.2179.4-60.5172.1000109.2L42 L43 F47 F48L42-I45 HydrophobicContact CD2-CD1 4.29Å; L42-I45 WeakPolarHBondContact O-CB 3.26Å; L42-I45 PolarHBondContact O-N 2.92Å; L43-I45 PolarHBondContact O-N 3.03Å; I45-F47 PolarHBondContact O-N 3.12Å; I45-F48 HydrophobicContact CB-CB 4.4Å; I45-F48 HydrophobicContact CB-CD2 3.88Å; I45-F48 HydrophobicContact CB-CE2 4.33Å; I45-F48 HydrophobicContact CB-CG 4.04Å; I45-F48 HydrophobicContact CD1-CD2 3.8Å; I45-F48 HydrophobicContact CD1-CE2 3.48Å; I45-F48 VanDerWaalsContact CD1-CE2 3.48Å; I45-F48 HydrophobicContact CD1-CZ 4.14Å; I45-F48 HydrophobicContact CG1-CD2 4.39Å; I45-F48 HydrophobicContact CG1-CE2 4.49Å; I45-F48 HydrophobicContact CG2-CD1 3.95Å; I45-F48 HydrophobicContact CG2-CD2 4.04Å; I45-F48 HydrophobicContact CG2-CE1 4.17Å; I45-F48 HydrophobicContact CG2-CE2 4.26Å; I45-F48 HydrophobicContact CG2-CG 3.89Å; I45-F48 HydrophobicContact CG2-CZ 4.33Å; I45-F48 PolarHBondContact O-N 3.39Å; I45-F48 VanDerWaalsContact O-N 3.11Å
46P94.1Very high97.9Very high112 Ų11264.4 Ų64.473%0.72736%0.358SS*.THydrogen-bonded Turntrans-66.3-17.5-16624.1-34.6000115.4
47F95.3Very high97.9Very high183 Ų18360.6 Ų60.680%0.80334%0.335SS*.THydrogen-bonded Turntrans-101.41-178.8-50.4-65.2000113.3I45I45-F47 PolarHBondContact O-N 3.12Å
48F97.8Very high97.9Very high75 Ų7556.8 Ų56.833%0.32931%0.312SS..  trans-91.6128178.6-74.31.3000111.1L42 I45 L52 V53 L56L42-F48 HydrophobicContact CD2-CE2 4.1Å; I45-F48 HydrophobicContact CB-CB 4.4Å; I45-F48 HydrophobicContact CB-CD2 3.88Å; I45-F48 HydrophobicContact CB-CE2 4.33Å; I45-F48 HydrophobicContact CB-CG 4.04Å; I45-F48 HydrophobicContact CD1-CD2 3.8Å; I45-F48 HydrophobicContact CD1-CE2 3.48Å; I45-F48 VanDerWaalsContact CD1-CE2 3.48Å; I45-F48 HydrophobicContact CD1-CZ 4.14Å; I45-F48 HydrophobicContact CG1-CD2 4.39Å; I45-F48 HydrophobicContact CG1-CE2 4.49Å; I45-F48 HydrophobicContact CG2-CD1 3.95Å; I45-F48 HydrophobicContact CG2-CD2 4.04Å; I45-F48 HydrophobicContact CG2-CE1 4.17Å; I45-F48 HydrophobicContact CG2-CE2 4.26Å; I45-F48 HydrophobicContact CG2-CG 3.89Å; I45-F48 HydrophobicContact CG2-CZ 4.33Å; I45-F48 PolarHBondContact O-N 3.39Å; I45-F48 VanDerWaalsContact O-N 3.11Å; F48-L52 HydrophobicContact CB-CD2 4.4Å; F48-L52 HydrophobicContact CD1-CD2 3.81Å; F48-L52 HydrophobicContact CE1-CD2 4.24Å; F48-L52 HydrophobicContact CG-CD2 4.1Å; F48-V53 HydrophobicContact CB-CG2 3.62Å; F48-V53 HydrophobicContact CD2-CG2 4.14Å; F48-V53 HydrophobicContact CG-CG2 4.39Å; F48-L56 HydrophobicContact CD2-CD1 3.83Å; F48-L56 HydrophobicContact CE2-CD1 3.36Å; F48-L56 HydrophobicContact CZ-CD1 3.82Å
49S97.6Very high97.9Very high64 Ų6457 Ų5745%0.44832%0.315SS..  trans-75.4152.3170.570.60000110.6L52 V53S49-L52 WeakPolarHBondContact O-CB 3.41Å; S49-L52 PolarHBondContact O-N 2.94Å; S49-L52 VanDerWaalsContact O-N 3.09Å; S49-L52 WeakPolarHBondContact OG-CB 3.36Å; S49-L52 PolarHBondContact OG-N 3.04Å; S49-V53 WeakPolarHBondContact O-CG2 3.36Å; S49-V53 PolarHBondContact O-N 2.88Å
50V97.8Very high97.9Very high77 Ų7758.9 Ų58.947%0.46733%0.325SS..Hα-helixtrans-54.5-46178.3175.40000112.7L43 L52 V53 W54L43-V50 HydrophobicContact CD2-CG2 4.44Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 3.5Å; V50-V53 PolarHBondContact O-N 3.39Å; V50-W54 VanDerWaalsContact O-CD1 3.28Å; V50-W54 PolarHBondContact O-N 3.47Å; V50-W54 VanDerWaalsContact O-N 3.1Å
51P98.2Very high97.9Very high42 Ų4254.8 Ų54.827%0.27330%0.304SS..Hα-helixtrans-59.4-39.9175.3-26.537000113.9W54 T55 T122P51-W54 PolarHBondContact O-N 3.33Å; P51-T55 PolarHBondContact O-N 3.24Å; P51-T55 VanDerWaalsContact O-N 3.13Å; P51-T55 PolarHBondContact O-OG1 3.17Å; P51-T122 HydrophobicContact CB-CG2 3.92Å; P51-T122 WeakPolarHBondContact O-CG2 3.45Å
52L98.3Very high97.9Very high58 Ų5850.8 Ų50.830%0.30428%0.28SS..Hα-helixtrans-63-45.3176.117762.5000110.7F48 S49 V50 W54 T55 L56F48-L52 HydrophobicContact CB-CD2 4.4Å; F48-L52 HydrophobicContact CD1-CD2 3.81Å; F48-L52 HydrophobicContact CE1-CD2 4.24Å; F48-L52 HydrophobicContact CG-CD2 4.1Å; S49-L52 WeakPolarHBondContact O-CB 3.41Å; S49-L52 PolarHBondContact O-N 2.94Å; S49-L52 VanDerWaalsContact O-N 3.09Å; S49-L52 WeakPolarHBondContact OG-CB 3.36Å; S49-L52 PolarHBondContact OG-N 3.04Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 3.5Å; L52-W54 VanDerWaalsContact C-N 3.35Å; L52-W54 PolarHBondContact O-N 2.94Å; L52-T55 WeakPolarHBondContact O-CB 3.47Å; L52-T55 PolarHBondContact O-N 2.89Å; L52-T55 VanDerWaalsContact O-N 3.14Å; L52-L56 HydrophobicContact CD1-CD1 4.11Å; L52-L56 HydrophobicContact CD1-CG 4.01Å; L52-L56 HydrophobicContact CD2-CD1 4.45Å; L52-L56 HydrophobicContact CG-CD1 3.89Å; L52-L56 HydrophobicContact CG-CG 4.23Å; L52-L56 WeakPolarHBondContact O-CG 3.35Å; L52-L56 PolarHBondContact O-N 2.9Å
53V98.6Very high97.9Very high1 Ų154.8 Ų54.81%0.00630%0.301CS..Hα-helixtrans-60-43.7179174.10000111.8L42 L43 F48 S49 V50 T55 L56 T57L42-V53 HydrophobicContact CB-CB 4.47Å; L42-V53 HydrophobicContact CB-CG1 3.56Å; L42-V53 HydrophobicContact CB-CG2 4.36Å; L43-V53 HydrophobicContact CD2-CB 4.08Å; L43-V53 HydrophobicContact CD2-CG1 3.83Å; L43-V53 HydrophobicContact CD2-CG2 4.15Å; L43-V53 HydrophobicContact CG-CG1 3.79Å; F48-V53 HydrophobicContact CB-CG2 3.62Å; F48-V53 HydrophobicContact CD2-CG2 4.14Å; F48-V53 HydrophobicContact CG-CG2 4.39Å; S49-V53 WeakPolarHBondContact O-CG2 3.36Å; S49-V53 PolarHBondContact O-N 2.88Å; V50-V53 PolarHBondContact O-N 3.39Å; V53-T55 VanDerWaalsContact C-N 3.3Å; V53-T55 PolarHBondContact O-N 3.3Å; V53-L56 PolarHBondContact O-N 3.32Å; V53-T57 WeakPolarHBondContact O-CB 3.33Å; V53-T57 PolarHBondContact O-N 3.08Å; V53-T57 PolarHBondContact O-OG1 3.38Å
54W98.6Very high97.9Very high30 Ų3053.5 Ų53.511%0.11430%0.302CS..Hα-helixtrans-60.5-40.4175.4-84102.2000112.6H39 V50 P51 L52 N58 L114 L117 A118 Y121 T122H39-W54 AromaticContact CE1-CD2 3.55Å; H39-W54 AromaticContact CE1-CE2 3.44Å; H39-W54 VanDerWaalsContact CE1-CE2 3.44Å; H39-W54 AromaticContact CE1-CE3 3.97Å; H39-W54 AromaticContact CE1-CG 3.92Å; H39-W54 AromaticContact CE1-CZ2 3.81Å; H39-W54 AromaticContact CE1-NE1 3.74Å; H39-W54 AromaticContact NE2-CE2 3.59Å; H39-W54 AromaticContact NE2-CZ2 3.59Å; H39-W54 AromaticContact NE2-NE1 3.86Å; V50-W54 VanDerWaalsContact O-CD1 3.28Å; V50-W54 PolarHBondContact O-N 3.47Å; V50-W54 VanDerWaalsContact O-N 3.1Å; P51-W54 PolarHBondContact O-N 3.33Å; L52-W54 VanDerWaalsContact C-N 3.35Å; L52-W54 PolarHBondContact O-N 2.94Å; W54-N58 WeakPolarHBondContact O-CB 3.34Å; W54-N58 PolarHBondContact O-N 3Å; W54-N58 VanDerWaalsContact O-N 3.08Å; W54-L114 HydrophobicContact CE3-CD1 4.4Å; W54-L114 HydrophobicContact CZ3-CD1 3.99Å; W54-L117 HydrophobicContact CE3-CB 4.26Å; W54-L117 HydrophobicContact CH2-CB 4.01Å; W54-L117 HydrophobicContact CH2-CD1 4.29Å; W54-L117 HydrophobicContact CZ3-CB 3.62Å; W54-L117 HydrophobicContact CZ3-CD1 4.27Å; W54-A118 HydrophobicContact CB-CB 4.14Å; W54-A118 HydrophobicContact CE3-CB 4.29Å; W54-Y121 AromaticContact CD1-CG 3.78Å; W54-Y121 AromaticContact CD2-CD2 3.89Å; W54-Y121 HydrophobicContact CD2-CD2 3.89Å; W54-Y121 HydrophobicContact CD2-CG 4.22Å; W54-Y121 AromaticContact CE2-CD2 3.24Å; W54-Y121 AromaticContact CE2-CE2 3.82Å; W54-Y121 AromaticContact CE2-CG 3.58Å; W54-Y121 HydrophobicContact CE3-CD2 4.46Å; W54-Y121 HydrophobicContact CG-CD2 4.46Å; W54-Y121 HydrophobicContact CG-CG 4.34Å; W54-Y121 AromaticContact CH2-CD2 3.96Å; W54-Y121 HydrophobicContact CH2-CD2 3.96Å; W54-Y121 AromaticContact CH2-CE2 3.95Å; W54-Y121 HydrophobicContact CH2-CE2 3.95Å; W54-Y121 AromaticContact CZ2-CD2 3.29Å; W54-Y121 HydrophobicContact CZ2-CD2 3.29Å; W54-Y121 AromaticContact CZ2-CE2 3.36Å; W54-Y121 HydrophobicContact CZ2-CE2 3.36Å; W54-Y121 HydrophobicContact CZ2-CG 4.03Å; W54-Y121 HydrophobicContact CZ3-CD2 4.49Å; W54-Y121 AromaticContact NE1-CD1 3.81Å; W54-Y121 AromaticContact NE1-CD2 3.49Å; W54-Y121 AromaticContact NE1-CG 3.26Å; W54-Y121 VanDerWaalsContact NE1-CG 3.26Å; W54-T122 HydrophobicContact CB-CG2 4.48Å
55T98.6Very high97.8Very high8 Ų850.1 Ų50.15%0.04928%0.276CS..Hα-helixtrans-67.1-47.1177-59.20000111.6P51 L52 V53 T57 N58 V59 H128 I131 N132P51-T55 PolarHBondContact O-N 3.24Å; P51-T55 VanDerWaalsContact O-N 3.13Å; P51-T55 PolarHBondContact O-OG1 3.17Å; L52-T55 WeakPolarHBondContact O-CB 3.47Å; L52-T55 PolarHBondContact O-N 2.89Å; L52-T55 VanDerWaalsContact O-N 3.14Å; V53-T55 VanDerWaalsContact C-N 3.3Å; V53-T55 PolarHBondContact O-N 3.3Å; T55-T57 VanDerWaalsContact C-N 3.34Å; T55-T57 PolarHBondContact O-N 3.36Å; T55-N58 PolarHBondContact O-N 3.3Å; T55-V59 HydrophobicContact CG2-CG2 4.49Å; T55-V59 WeakPolarHBondContact O-CG2 3.4Å; T55-V59 PolarHBondContact O-N 3.41Å; T55-H128 PolarHBondContact OG1-ND1 2.7Å; T55-I131 HydrophobicContact CG2-CB 4.41Å; T55-I131 HydrophobicContact CG2-CG2 3.86Å; T55-N132 WeakPolarHBondContact CA-OD1 3.33Å
56L98.6Very high97.7Very high47 Ų4750.2 Ų50.225%0.24627%0.273CS..Hα-helixtrans-62-41.6176.7-71176.5000111.8L42 F48 L52 V53 N58 V59 I60L42-L56 HydrophobicContact CD1-CB 3.97Å; L42-L56 HydrophobicContact CD2-CD1 4.49Å; F48-L56 HydrophobicContact CD2-CD1 3.83Å; F48-L56 HydrophobicContact CE2-CD1 3.36Å; F48-L56 HydrophobicContact CZ-CD1 3.82Å; L52-L56 HydrophobicContact CD1-CD1 4.11Å; L52-L56 HydrophobicContact CD1-CG 4.01Å; L52-L56 HydrophobicContact CD2-CD1 4.45Å; L52-L56 HydrophobicContact CG-CD1 3.89Å; L52-L56 HydrophobicContact CG-CG 4.23Å; L52-L56 WeakPolarHBondContact O-CG 3.35Å; L52-L56 PolarHBondContact O-N 2.9Å; V53-L56 PolarHBondContact O-N 3.32Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.06Å; L56-V59 PolarHBondContact O-N 2.91Å; L56-I60 HydrophobicContact CB-CD1 4.43Å; L56-I60 VanDerWaalsContact O-CB 3.29Å; L56-I60 WeakPolarHBondContact O-CB 3.38Å; L56-I60 VanDerWaalsContact O-CG1 3.25Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.46Å
57T98.7Very high97.8Very high1 Ų148.9 Ų48.91%0.00626%0.26CS..Hα-helixtrans-58.1-47.8176.4-55.90000110.2L38 H39 L42 V53 T55 H61 L114L38-T57 HydrophobicContact CD2-CG2 4.38Å; H39-T57 HydrophobicContact CB-CG2 3.97Å; H39-T57 PolarHBondContact ND1-OG1 3.22Å; L42-T57 WeakPolarHBondContact CD1-OG1 3.33Å; V53-T57 WeakPolarHBondContact O-CB 3.33Å; V53-T57 PolarHBondContact O-N 3.08Å; V53-T57 PolarHBondContact O-OG1 3.38Å; T55-T57 VanDerWaalsContact C-N 3.34Å; T55-T57 PolarHBondContact O-N 3.36Å; T57-H61 WeakPolarHBondContact O-CB 3.46Å; T57-H61 PolarHBondContact O-N 2.96Å; T57-L114 HydrophobicContact CG2-CD1 4.22Å; T57-L114 HydrophobicContact CG2-CD2 4.44Å
58N98.4Very high97.7Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-64.4-46.9179.9-163.52.4000111.9W54 T55 L56 N62 L114 H115 A118 N132W54-N58 WeakPolarHBondContact O-CB 3.34Å; W54-N58 PolarHBondContact O-N 3Å; W54-N58 VanDerWaalsContact O-N 3.08Å; T55-N58 PolarHBondContact O-N 3.3Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.06Å; N58-N62 WeakPolarHBondContact O-CB 3.49Å; N58-N62 PolarHBondContact O-N 2.74Å; N58-N62 PolarHBondContact O-ND2 2.87Å; N58-N62 VanDerWaalsContact O-ND2 3.12Å; N58-N62 PolarHBondContact OD1-ND2 3.4Å; N58-L114 HydrophobicContact CB-CD2 4.5Å; N58-L114 HydrophobicContact CB-CG 4.42Å; N58-H115 WeakPolarHBondContact ND2-CA 3.27Å; N58-A118 HydrophobicContact CB-CB 4.45Å; N58-N132 WeakPolarHBondContact ND2-CB 3.31Å; N58-N132 PolarHBondContact ND2-OD1 3.27Å
59V98.6Very high97.5Very high47 Ų4740.8 Ų40.829%0.28522%0.224SC..Hα-helixtrans-63.9-49.3-1801720000112T55 L56 N62 L63 I131 S135T55-V59 HydrophobicContact CG2-CG2 4.49Å; T55-V59 WeakPolarHBondContact O-CG2 3.4Å; T55-V59 PolarHBondContact O-N 3.41Å; L56-V59 PolarHBondContact O-N 2.91Å; V59-N62 PolarHBondContact O-N 3.42Å; V59-L63 WeakPolarHBondContact O-CB 3.4Å; V59-L63 PolarHBondContact O-N 2.88Å; V59-I131 HydrophobicContact CG2-CG2 3.83Å; V59-S135 WeakPolarHBondContact CA-OG 3.32Å
60I98.6Very high97.3Very high66 Ų6638.2 Ų38.234%0.33821%0.205SC..Hα-helixtrans-64.4-44180-67.7166.8000110.2L38 L42 L56 L63 A64L38-I60 HydrophobicContact CD1-CD1 4.42Å; L38-I60 HydrophobicContact CD1-CG2 4Å; L38-I60 HydrophobicContact CD2-CB 4.11Å; L38-I60 HydrophobicContact CD2-CG2 3.75Å; L42-I60 HydrophobicContact CD1-CD1 4.25Å; L42-I60 HydrophobicContact CD2-CD1 4.36Å; L56-I60 HydrophobicContact CB-CD1 4.43Å; L56-I60 VanDerWaalsContact O-CB 3.29Å; L56-I60 WeakPolarHBondContact O-CB 3.38Å; L56-I60 VanDerWaalsContact O-CG1 3.25Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.46Å; I60-L63 PolarHBondContact O-N 3.3Å; I60-A64 WeakPolarHBondContact O-CB 3.01Å; I60-A64 PolarHBondContact O-N 2.9Å
61H98.6Very high97Very high9 Ų936.9 Ų36.94%0.04220%0.197CC..Hα-helixtrans-56-52.5174.8169-86.6000111.3Y31 T57 L63 A64 M65 L114Y31-H61 AromaticContact CE2-NE2 3.38Å; Y31-H61 WeakPolarHBondContact CE2-NE2 3.25Å; Y31-H61 AromaticContact CZ-NE2 3.34Å; Y31-H61 VanDerWaalsContact CZ-NE2 3.34Å; Y31-H61 PolarHBondContact OH-CE1 3.16Å; Y31-H61 VanDerWaalsContact OH-CE1 3.24Å; Y31-H61 PolarHBondContact OH-NE2 3Å; T57-H61 WeakPolarHBondContact O-CB 3.46Å; T57-H61 PolarHBondContact O-N 2.96Å; H61-L63 VanDerWaalsContact C-N 3.34Å; H61-L63 PolarHBondContact O-N 3.47Å; H61-A64 PolarHBondContact O-N 3.23Å; H61-M65 WeakPolarHBondContact O-CB 3.21Å; H61-M65 VanDerWaalsContact O-CG 3.25Å; H61-M65 WeakPolarHBondContact O-CG 3.26Å; H61-M65 PolarHBondContact O-N 3.13Å; H61-L114 HydrophobicContact CB-CD2 3.71Å
62N98.4Very high96.6Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-66-36.7-177.6-67.5-23.9000112.2N58 V59 M65 Y66 P111 S135 V139N58-N62 WeakPolarHBondContact O-CB 3.49Å; N58-N62 PolarHBondContact O-N 2.74Å; N58-N62 PolarHBondContact O-ND2 2.87Å; N58-N62 VanDerWaalsContact O-ND2 3.12Å; N58-N62 PolarHBondContact OD1-ND2 3.4Å; V59-N62 PolarHBondContact O-N 3.42Å; N62-M65 PolarHBondContact O-N 2.59Å; N62-Y66 VanDerWaalsContact O-CB 3.26Å; N62-Y66 WeakPolarHBondContact O-CB 3.38Å; N62-Y66 PolarHBondContact O-N 3.46Å; N62-P111 WeakPolarHBondContact OD1-CB 3.26Å; N62-S135 VanDerWaalsContact CB-OG 3.27Å; N62-S135 WeakPolarHBondContact CB-OG 3.35Å; N62-S135 PolarHBondContact ND2-O 3.14Å; N62-S135 PolarHBondContact ND2-OG 2.62Å; N62-V139 HydrophobicContact CB-CB 4.48Å; N62-V139 HydrophobicContact CB-CG1 4.25Å
63L97.9Very high96.2Very high99 Ų9938.1 Ų38.152%0.51820%0.202SC..Hα-helixtrans-63-50.1174.2177.561.3000111.2V59 I60 H61 M65 Y66 L67V59-L63 WeakPolarHBondContact O-CB 3.4Å; V59-L63 PolarHBondContact O-N 2.88Å; I60-L63 PolarHBondContact O-N 3.3Å; H61-L63 VanDerWaalsContact C-N 3.34Å; H61-L63 PolarHBondContact O-N 3.47Å; L63-M65 VanDerWaalsContact C-N 3.31Å; L63-M65 PolarHBondContact O-N 3.03Å; L63-Y66 PolarHBondContact O-N 3.3Å; L63-L67 HydrophobicContact CD1-CD1 4.28Å; L63-L67 HydrophobicContact CD1-CG 4.3Å; L63-L67 HydrophobicContact CG-CD1 4.28Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.91Å
64A97.4Very high95.6Very high55 Ų5538.6 Ų38.646%0.45521%0.207SC..Hα-helixtrans-59.8-43.817800000111.4I60 H61 L67 F68I60-A64 WeakPolarHBondContact O-CB 3.01Å; I60-A64 PolarHBondContact O-N 2.9Å; H61-A64 PolarHBondContact O-N 3.23Å; A64-L67 PolarHBondContact O-N 3.07Å; A64-F68 WeakPolarHBondContact O-CB 3.35Å; A64-F68 PolarHBondContact O-N 3.44Å
65M96.7Very high94.9Very high18 Ų1838.1 Ų38.19%0.08921%0.207CC..Hα-helixtrans-65.9-38.6177-70.5-50.2-61.400112.6Y31 H61 N62 L63 L69 L107 V139Y31-M65 HydrophobicContact CD2-SD 4.1Å; Y31-M65 HydrophobicContact CE2-CE 4.15Å; Y31-M65 HydrophobicContact CE2-CG 4.32Å; Y31-M65 HydrophobicContact CE2-SD 3.6Å; Y31-M65 VanDerWaalsContact CE2-SD 3.6Å; H61-M65 WeakPolarHBondContact O-CB 3.21Å; H61-M65 VanDerWaalsContact O-CG 3.25Å; H61-M65 WeakPolarHBondContact O-CG 3.26Å; H61-M65 PolarHBondContact O-N 3.13Å; N62-M65 PolarHBondContact O-N 2.59Å; L63-M65 VanDerWaalsContact C-N 3.31Å; L63-M65 PolarHBondContact O-N 3.03Å; M65-L69 HydrophobicContact CE-CD1 3.42Å; M65-L69 VanDerWaalsContact CE-CD1 3.42Å; M65-L69 HydrophobicContact CE-CD2 4.37Å; M65-L69 HydrophobicContact CE-CG 3.76Å; M65-L69 WeakPolarHBondContact O-CB 3.37Å; M65-L69 WeakPolarHBondContact O-CG 3.48Å; M65-L69 PolarHBondContact O-N 3.32Å; M65-L107 HydrophobicContact CE-CD2 3.88Å; M65-V139 HydrophobicContact CB-CG2 3.99Å
66Y95.7Very high93.3Very high62 Ų6242.3 Ų42.324%0.24324%0.235CC..Hα-helixtrans-62.2-48.7174.7177.3-93.8000111.1N62 L63 H70 T71 T138 P142N62-Y66 VanDerWaalsContact O-CB 3.26Å; N62-Y66 WeakPolarHBondContact O-CB 3.38Å; N62-Y66 PolarHBondContact O-N 3.46Å; L63-Y66 PolarHBondContact O-N 3.3Å; Y66-H70 HydrophobicContact CD2-CB 4.16Å; Y66-H70 HydrophobicContact CE2-CB 4.16Å; Y66-H70 WeakPolarHBondContact O-CA 3.26Å; Y66-H70 VanDerWaalsContact O-CB 3.32Å; Y66-H70 WeakPolarHBondContact O-CB 3.48Å; Y66-H70 PolarHBondContact O-N 2.77Å; Y66-T71 HydrophobicContact CD1-CG2 4.18Å; Y66-T71 HydrophobicContact CE1-CG2 3.72Å; Y66-T71 PolarHBondContact O-N 3.34Å; Y66-T138 WeakPolarHBondContact CD2-O 3.23Å; Y66-P142 HydrophobicContact CD2-CG 4.45Å; Y66-P142 HydrophobicContact CE2-CG 4.11Å
67L94.7Very high91.8Very high85 Ų8549.6 Ų49.645%0.44527%0.265SS..Hα-helixtrans-59.7-53.6178.7-68174.2000110.7L63 A64 T71 V72L63-L67 HydrophobicContact CD1-CD1 4.28Å; L63-L67 HydrophobicContact CD1-CG 4.3Å; L63-L67 HydrophobicContact CG-CD1 4.28Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.91Å; A64-L67 PolarHBondContact O-N 3.07Å; L67-T71 VanDerWaalsContact C-OG1 3.27Å; L67-T71 VanDerWaalsContact CA-OG1 3.26Å; L67-T71 WeakPolarHBondContact CA-OG1 3.46Å; L67-T71 HydrophobicContact CD2-CG2 4.24Å; L67-T71 WeakPolarHBondContact O-CA 3.5Å; L67-T71 WeakPolarHBondContact O-CB 3.32Å; L67-T71 PolarHBondContact O-N 3.24Å; L67-T71 PolarHBondContact O-OG1 3.29Å; L67-V72 PolarHBondContact O-N 2.88Å; L67-V72 VanDerWaalsContact O-N 3.13Å
68F93.7Very high90.5Very high88 Ų8852.9 Ų52.939%0.38628%0.28SS..Hα-helixtrans-62.9-49.1-177.5-179.4-106.6000112.9M22 A64 V72 H90M22-F68 HydrophobicContact CE-CE1 4.16Å; A64-F68 WeakPolarHBondContact O-CB 3.35Å; A64-F68 PolarHBondContact O-N 3.44Å; F68-V72 WeakPolarHBondContact O-CB 3.2Å; F68-H90 AromaticContact CE1-CD2 3.5Å; F68-H90 VanDerWaalsContact CE1-CD2 3.5Å; F68-H90 WeakPolarHBondContact CE1-CD2 3.37Å; F68-H90 AromaticContact CE1-NE2 3.75Å; F68-H90 AromaticContact CZ-CD2 3.7Å; F68-H90 AromaticContact CZ-NE2 3.63Å
69L94.6Very high88.8Confident0 Ų058.9 Ų58.90%032%0.317CS..Hα-helixtrans-81.4-33.9-173.1-67.3-178.3000113.6M65 T89 H90 W91 L107M65-L69 HydrophobicContact CE-CD1 3.42Å; M65-L69 VanDerWaalsContact CE-CD1 3.42Å; M65-L69 HydrophobicContact CE-CD2 4.37Å; M65-L69 HydrophobicContact CE-CG 3.76Å; M65-L69 WeakPolarHBondContact O-CB 3.37Å; M65-L69 WeakPolarHBondContact O-CG 3.48Å; M65-L69 PolarHBondContact O-N 3.32Å; L69-T89 WeakPolarHBondContact O-CB 3.33Å; L69-H90 PolarHBondContact O-N 3.35Å; L69-W91 HydrophobicContact CB-CB 4.2Å; L69-W91 HydrophobicContact CD1-CE3 4.1Å; L69-W91 VanDerWaalsContact O-CB 3.27Å; L69-W91 WeakPolarHBondContact O-CB 3.37Å; L69-W91 PolarHBondContact O-N 3.3Å; L69-L107 HydrophobicContact CD1-CD1 4.17Å; L69-L107 HydrophobicContact CD2-CD1 4.14Å
70H92.9Very high87.6Confident9 Ų960.3 Ų60.34%0.04233%0.327CS..Hα-helixtrans-119.2-3-166.7-59-62.4000114.2Y66 T89 W91 N156Y66-H70 HydrophobicContact CD2-CB 4.16Å; Y66-H70 HydrophobicContact CE2-CB 4.16Å; Y66-H70 WeakPolarHBondContact O-CA 3.26Å; Y66-H70 VanDerWaalsContact O-CB 3.32Å; Y66-H70 WeakPolarHBondContact O-CB 3.48Å; Y66-H70 PolarHBondContact O-N 2.77Å; H70-T89 WeakPolarHBondContact O-CG2 3.45Å; H70-W91 AromaticContact CE1-CD1 3.7Å; H70-W91 AromaticContact CE1-CD2 3.99Å; H70-W91 AromaticContact CE1-CG 3.47Å; H70-W91 VanDerWaalsContact CE1-CG 3.47Å; H70-W91 AromaticContact ND1-CG 3.98Å; H70-N156 PolarHBondContact O-ND2 2.93Å
71T90.5Very high86.6Confident49 Ų4958 Ų5830%0.30132%0.316SS..THydrogen-bonded Turntrans-120-32.8172.869.90000113.6Y66 L67 K73Y66-T71 HydrophobicContact CD1-CG2 4.18Å; Y66-T71 HydrophobicContact CE1-CG2 3.72Å; Y66-T71 PolarHBondContact O-N 3.34Å; L67-T71 VanDerWaalsContact C-OG1 3.27Å; L67-T71 VanDerWaalsContact CA-OG1 3.26Å; L67-T71 WeakPolarHBondContact CA-OG1 3.46Å; L67-T71 HydrophobicContact CD2-CG2 4.24Å; L67-T71 WeakPolarHBondContact O-CA 3.5Å; L67-T71 WeakPolarHBondContact O-CB 3.32Å; L67-T71 PolarHBondContact O-N 3.24Å; L67-T71 PolarHBondContact O-OG1 3.29Å; T71-K73 PolarHBondContact O-N 3.19Å
72V90.4Very high85.7Confident73 Ų7365.7 Ų65.744%0.44235%0.351SS..  trans-69.8129.2173.8-178.80000109.6L67 F68 T89 H90L67-V72 PolarHBondContact O-N 2.88Å; L67-V72 VanDerWaalsContact O-N 3.13Å; F68-V72 WeakPolarHBondContact O-CB 3.2Å; V72-T89 CarbonylContact O-C 3.52Å; V72-T89 VanDerWaalsContact O-CA 3.25Å; V72-T89 WeakPolarHBondContact O-CA 3.39Å; V72-H90 PolarHBondContact O-N 2.94Å
73K89.6Confident84.8Confident54 Ų5467.8 Ų67.824%0.23537%0.373CS..BIsolated β-bridgetrans-126.6161.4-176.4-67.4173.7176.6179.10112.7T71 L88 T89 N156 K157T71-K73 PolarHBondContact O-N 3.19Å; K73-L88 VanDerWaalsContact CA-O 3.24Å; K73-L88 WeakPolarHBondContact CA-O 3.42Å; K73-L88 WeakPolarHBondContact CB-O 3.22Å; K73-T89 HydrophobicContact CG-CG2 4.16Å; K73-N156 WeakPolarHBondContact CE-O 3.29Å; K73-N156 VanDerWaalsContact NZ-CA 3.26Å; K73-N156 PolarHBondContact NZ-O 3.15Å; K73-K157 PolarHBondContact NZ-O 3.39Å
74G86.3Confident84.1Confident10 Ų1070.6 Ų70.610%0.10338%0.381CS..SBendtrans72.6-173.5173.600000113.8N18 A85 L88 Q93N18-G74 PolarHBondContact ND2-O 3.45Å; G74-A85 VanDerWaalsContact CA-O 3.31Å; G74-A85 WeakPolarHBondContact CA-O 3.28Å; G74-A85 PolarHBondContact N-O 3.16Å; G74-L88 PolarHBondContact N-O 3.02Å; G74-L88 VanDerWaalsContact N-O 3.1Å; G74-Q93 VanDerWaalsContact N-NE2 3.17Å; G74-Q93 PolarHBondContact O-NE2 3.26Å; G74-Q93 VanDerWaalsContact O-NE2 3.12Å
75T83.6Confident83.5Confident20 Ų2068 Ų6812%0.12336%0.359CS..  trans-130.590.8174.5380000107.4N16 N18 F77 E78N16-T75 HydrophobicContact CB-CG2 4.19Å; N16-T75 WeakPolarHBondContact OD1-CG2 3.42Å; N18-T75 HydrophobicContact CB-CG2 4.48Å; N18-T75 VanDerWaalsContact ND2-CG2 3.3Å; N18-T75 WeakPolarHBondContact ND2-CG2 3.26Å; T75-F77 PolarHBondContact O-N 3.39Å; T75-E78 HydrophobicContact CG2-CG 4.4Å; T75-E78 PolarHBondContact O-N 2.9Å
76P64.3Low83Confident97 Ų9775.8 Ų75.863%0.6339%0.388SS*.THydrogen-bonded Turntrans-54.4131.2178.1-2232.5000109.2E78P76-E78 VanDerWaalsContact C-N 3.35Å; P76-E78 PolarHBondContact O-N 3.24Å
77F67.1Low82.7Confident199 Ų19977 Ų7787%0.87340%0.398SS*.THydrogen-bonded Turntrans76.21175.1-39.4-71000117.5T75 T79T75-F77 PolarHBondContact O-N 3.39Å; F77-T79 PolarHBondContact O-N 2.83Å
78E71.8Confident82.5Confident70 Ų7075.9 Ų75.933%0.32739%0.392SS..  trans-87.385.2172.3-65.4-61.2161.900111.5P17 T75 P76 D81P17-E78 HydrophobicContact CG-CG 4.34Å; T75-E78 HydrophobicContact CG2-CG 4.4Å; T75-E78 PolarHBondContact O-N 2.9Å; P76-E78 VanDerWaalsContact C-N 3.35Å; P76-E78 PolarHBondContact O-N 3.24Å; E78-D81 PolarHBondContact O-N 2.87Å
79T63.9Low82.5Confident127 Ų12771.8 Ų71.878%0.77937%0.374SS*.G310 helixtrans-60.7-31.1177.658.40000115.1F77 D81F77-T79 PolarHBondContact O-N 2.83Å; T79-D81 VanDerWaalsContact C-N 3.28Å; T79-D81 PolarHBondContact O-N 3.09Å
80P72.9Confident82.4Confident77 Ų7772.1 Ų72.150%0.538%0.376SS..G310 helixtrans-75-12-178-12.528.5000114.4V15 Q82V15-P80 HydrophobicContact CG1-CB 3.87Å; V15-P80 HydrophobicContact CG2-CB 4.38Å; P80-Q82 PolarHBondContact O-N 2.98Å
81D77.4Confident82.5Confident18 Ų1872 Ų7210%0.09638%0.375CS..G310 helixtrans-69.3-12.8-178.8-176.766.8000113.2V15 E78 T79 G83 K84 A85V15-D81 HydrophobicContact CG1-CB 4.01Å; E78-D81 PolarHBondContact O-N 2.87Å; T79-D81 VanDerWaalsContact C-N 3.28Å; T79-D81 PolarHBondContact O-N 3.09Å; D81-G83 PolarHBondContact O-N 3.5Å; D81-K84 WeakPolarHBondContact O-CB 3.3Å; D81-K84 WeakPolarHBondContact O-CG 3.5Å; D81-K84 PolarHBondContact O-N 2.92Å; D81-K84 VanDerWaalsContact O-N 3.07Å; D81-K84 PolarHBondContact OD2-N 2.87Å; D81-K84 VanDerWaalsContact OD2-N 3.11Å; D81-A85 VanDerWaalsContact OD2-CB 3.26Å; D81-A85 WeakPolarHBondContact OD2-CB 3.32Å; D81-A85 PolarHBondContact OD2-N 3.44Å
82Q79.5Confident82.6Confident170 Ų17070.1 Ų70.179%0.79436%0.363SS*.THydrogen-bonded Turntrans51.924-178.9-61.6-175.3-40.700113.7P80P80-Q82 PolarHBondContact O-N 2.98Å
83G79.8Confident82.7Confident43 Ų4366.9 Ų66.944%0.44334%0.343SS..THydrogen-bonded Turntrans79.111.417900000115.4D81 A85 R86D81-G83 PolarHBondContact O-N 3.5Å; G83-A85 VanDerWaalsContact C-N 3.29Å; G83-A85 PolarHBondContact O-N 2.89Å; G83-R86 WeakPolarHBondContact O-CB 3.5Å; G83-R86 PolarHBondContact O-N 2.74Å; G83-R86 VanDerWaalsContact O-N 3.14Å
84K82.7Confident82.9Confident158 Ų15864.3 Ų64.369%0.68733%0.332SS*.THydrogen-bonded Turntrans-59.3-39.2177.7-71175.7-178.1175.10112.2D81D81-K84 WeakPolarHBondContact O-CB 3.3Å; D81-K84 WeakPolarHBondContact O-CG 3.5Å; D81-K84 PolarHBondContact O-N 2.92Å; D81-K84 VanDerWaalsContact O-N 3.07Å; D81-K84 PolarHBondContact OD2-N 2.87Å; D81-K84 VanDerWaalsContact OD2-N 3.11Å
85A86Confident83.3Confident1 Ų164.4 Ų64.41%0.00833%0.33CS..THydrogen-bonded Turntrans-85.2-5.6179.100000113.8G74 D81 G83 L87 L88 Q93G74-A85 VanDerWaalsContact CA-O 3.31Å; G74-A85 WeakPolarHBondContact CA-O 3.28Å; G74-A85 PolarHBondContact N-O 3.16Å; D81-A85 VanDerWaalsContact OD2-CB 3.26Å; D81-A85 WeakPolarHBondContact OD2-CB 3.32Å; D81-A85 PolarHBondContact OD2-N 3.44Å; G83-A85 VanDerWaalsContact C-N 3.29Å; G83-A85 PolarHBondContact O-N 2.89Å; A85-L87 PolarHBondContact O-N 3.33Å; A85-L87 VanDerWaalsContact O-N 3.08Å; A85-L88 PolarHBondContact O-N 3.24Å; A85-Q93 HydrophobicContact CB-CG 4.22Å
86R86.2Confident83.6Confident182 Ų18270.1 Ų70.169%0.68735%0.35SS*.THydrogen-bonded Turntrans-53.1-39-169.9-175.917668.6171.20.9113.7G83G83-R86 WeakPolarHBondContact O-CB 3.5Å; G83-R86 PolarHBondContact O-N 2.74Å; G83-R86 VanDerWaalsContact O-N 3.14Å
87L88.4Confident84.9Confident88 Ų8866.4 Ų66.446%0.46133%0.33SS..THydrogen-bonded Turntrans-97.7-8.3-178.6-60.1-178.5000113.4A85 R151A85-L87 PolarHBondContact O-N 3.33Å; A85-L87 VanDerWaalsContact O-N 3.08Å; L87-R151 PolarHBondContact O-NH2 2.63Å
88L91Very high86.1Confident60 Ų6061 Ų6131%0.31431%0.312SS..  trans-84.7133.7-177.2-60-178.4000110.1K73 G74 A85 E92 Q93K73-L88 VanDerWaalsContact CA-O 3.24Å; K73-L88 WeakPolarHBondContact CA-O 3.42Å; K73-L88 WeakPolarHBondContact CB-O 3.22Å; G74-L88 PolarHBondContact N-O 3.02Å; G74-L88 VanDerWaalsContact N-O 3.1Å; A85-L88 PolarHBondContact O-N 3.24Å; L88-E92 WeakPolarHBondContact CA-OE2 3.38Å; L88-E92 HydrophobicContact CB-CB 4.16Å; L88-E92 HydrophobicContact CD2-CB 4.26Å; L88-Q93 HydrophobicContact CB-CG 3.59Å; L88-Q93 HydrophobicContact CD1-CG 4.3Å; L88-Q93 PolarHBondContact O-NE2 3.35Å
89T93.1Very high87.1Confident3 Ų360 Ų602%0.01831%0.308CS..BIsolated β-bridgetrans-70.5162.917160.50000111L69 H70 V72 K73 W91 E92 Q93L69-T89 WeakPolarHBondContact O-CB 3.33Å; H70-T89 WeakPolarHBondContact O-CG2 3.45Å; V72-T89 CarbonylContact O-C 3.52Å; V72-T89 VanDerWaalsContact O-CA 3.25Å; V72-T89 WeakPolarHBondContact O-CA 3.39Å; K73-T89 HydrophobicContact CG-CG2 4.16Å; T89-W91 PolarHBondContact O-N 3.23Å; T89-E92 PolarHBondContact N-OE2 2.93Å; T89-E92 PolarHBondContact O-N 3.39Å; T89-E92 VanDerWaalsContact OG1-CD 3.26Å; T89-E92 VanDerWaalsContact OG1-CG 3.26Å; T89-E92 WeakPolarHBondContact OG1-CG 3.45Å; T89-E92 PolarHBondContact OG1-N 2.88Å; T89-E92 PolarHBondContact OG1-OE2 2.91Å; T89-Q93 WeakPolarHBondContact O-CG 3.38Å; T89-Q93 PolarHBondContact O-N 3.23Å
90H92.8Very high88.5Confident7 Ų760.4 Ų60.43%0.03230%0.299CS..Hα-helixtrans-57.6-38.1177.9-162.279.2000112.3N18 F68 L69 V72 E92 Q93 M94N18-H90 VanDerWaalsContact CG-CE1 3.43Å; N18-H90 VanDerWaalsContact CG-ND1 3.3Å; N18-H90 PolarHBondContact OD1-CE1 2.92Å; N18-H90 PolarHBondContact OD1-ND1 3.38Å; F68-H90 AromaticContact CE1-CD2 3.5Å; F68-H90 VanDerWaalsContact CE1-CD2 3.5Å; F68-H90 WeakPolarHBondContact CE1-CD2 3.37Å; F68-H90 AromaticContact CE1-NE2 3.75Å; F68-H90 AromaticContact CZ-CD2 3.7Å; F68-H90 AromaticContact CZ-NE2 3.63Å; L69-H90 PolarHBondContact O-N 3.35Å; V72-H90 PolarHBondContact O-N 2.94Å; H90-E92 VanDerWaalsContact C-N 3.33Å; H90-E92 PolarHBondContact O-N 3.48Å; H90-Q93 PolarHBondContact O-N 3.08Å; H90-M94 PolarHBondContact O-N 2.98Å; H90-M94 VanDerWaalsContact O-N 3.11Å
91W94.8Very high89.5Confident6 Ų658.2 Ų58.22%0.02328%0.284CS..Hα-helixtrans-61.6-38.3173.4179.1-104.9000113.3L69 H70 T89 M94 R104 L107 K143L69-W91 HydrophobicContact CB-CB 4.2Å; L69-W91 HydrophobicContact CD1-CE3 4.1Å; L69-W91 VanDerWaalsContact O-CB 3.27Å; L69-W91 WeakPolarHBondContact O-CB 3.37Å; L69-W91 PolarHBondContact O-N 3.3Å; H70-W91 AromaticContact CE1-CD1 3.7Å; H70-W91 AromaticContact CE1-CD2 3.99Å; H70-W91 AromaticContact CE1-CG 3.47Å; H70-W91 VanDerWaalsContact CE1-CG 3.47Å; H70-W91 AromaticContact ND1-CG 3.98Å; T89-W91 PolarHBondContact O-N 3.23Å; W91-M94 HydrophobicContact CD2-CE 4.17Å; W91-M94 HydrophobicContact CE3-CE 3.34Å; W91-M94 HydrophobicContact CH2-CE 4.2Å; W91-M94 HydrophobicContact CZ3-CE 3.37Å; W91-R104 HydrophobicContact CH2-CB 3.76Å; W91-R104 HydrophobicContact CH2-CG 3.74Å; W91-R104 HydrophobicContact CZ2-CB 4.4Å; W91-R104 HydrophobicContact CZ2-CG 4.15Å; W91-R104 HydrophobicContact CZ3-CB 4.35Å; W91-R104 HydrophobicContact CZ3-CG 4.09Å; W91-R104 PolarHBondContact O-NH1 2.93Å; W91-R104 PolarHBondContact O-NH2 3.22Å; W91-L107 HydrophobicContact CZ3-CB 4.15Å; W91-L107 HydrophobicContact CZ3-CD1 4.31Å; W91-K143 HydrophobicContact CD2-CG 4.07Å; W91-K143 HydrophobicContact CE3-CG 4.24Å; W91-K143 HydrophobicContact CH2-CB 4.08Å; W91-K143 HydrophobicContact CH2-CD 3.92Å; W91-K143 HydrophobicContact CH2-CG 3.82Å; W91-K143 HydrophobicContact CZ2-CB 3.55Å; W91-K143 HydrophobicContact CZ2-CD 4.24Å; W91-K143 HydrophobicContact CZ2-CG 3.62Å; W91-K143 HydrophobicContact CZ3-CD 4.11Å; W91-K143 HydrophobicContact CZ3-CG 4.12Å
92E93.3Very high90.4Very high10 Ų1061.3 Ų61.35%0.04731%0.307CS..Hα-helixtrans-73.8-36.5-178.3-71165.8145.100111.6L88 T89 H90 G149 R151L88-E92 WeakPolarHBondContact CA-OE2 3.38Å; L88-E92 HydrophobicContact CB-CB 4.16Å; L88-E92 HydrophobicContact CD2-CB 4.26Å; T89-E92 PolarHBondContact N-OE2 2.93Å; T89-E92 PolarHBondContact O-N 3.39Å; T89-E92 VanDerWaalsContact OG1-CD 3.26Å; T89-E92 VanDerWaalsContact OG1-CG 3.26Å; T89-E92 WeakPolarHBondContact OG1-CG 3.45Å; T89-E92 PolarHBondContact OG1-N 2.88Å; T89-E92 PolarHBondContact OG1-OE2 2.91Å; H90-E92 VanDerWaalsContact C-N 3.33Å; H90-E92 PolarHBondContact O-N 3.48Å; E92-G149 WeakPolarHBondContact OE1-CA 3.07Å; E92-G149 PolarHBondContact OE1-N 2.95Å; E92-R151 IonicContact OE1-CZ 3.49Å; E92-R151 IonicContact OE1-NH1 2.7Å; E92-R151 PolarHBondContact OE1-NH1 3.33Å; E92-R151 IonicContact OE1-NH2 3.35Å; E92-R151 PolarHBondContact OE1-NH2 3.11Å; E92-R151 IonicContact OE2-CZ 3.58Å; E92-R151 IonicContact OE2-NH1 3.51Å; E92-R151 IonicContact OE2-NH2 2.77Å; E92-R151 PolarHBondContact OE2-NH2 3.11Å
93Q93.2Very high91.1Very high5 Ų553.3 Ų53.32%0.02327%0.27CS..Hα-helixtrans-70.5-33.2178.2-64.2176.748.400113N16 N18 G74 A85 L88 T89 H90 Y96N16-Q93 PolarHBondContact ND2-OE1 3.48Å; N16-Q93 PolarHBondContact OD1-OE1 2.99Å; N18-Q93 HydrophobicContact CB-CB 4.1Å; N18-Q93 PolarHBondContact ND2-OE1 3.31Å; G74-Q93 VanDerWaalsContact N-NE2 3.17Å; G74-Q93 PolarHBondContact O-NE2 3.26Å; G74-Q93 VanDerWaalsContact O-NE2 3.12Å; A85-Q93 HydrophobicContact CB-CG 4.22Å; L88-Q93 HydrophobicContact CB-CG 3.59Å; L88-Q93 HydrophobicContact CD1-CG 4.3Å; L88-Q93 PolarHBondContact O-NE2 3.35Å; T89-Q93 WeakPolarHBondContact O-CG 3.38Å; T89-Q93 PolarHBondContact O-N 3.23Å; H90-Q93 PolarHBondContact O-N 3.08Å; Q93-Y96 PolarHBondContact O-N 3.44Å
94M93.5Very high91.8Very high0 Ų051.4 Ų51.40%025%0.249CC..G310 helixtrans-54.9138.9-174.5-176172.452.200112.7M22 H90 W91 Y96 G97 R104 L107M22-M94 HydrophobicContact CB-CG 4.26Å; M22-M94 HydrophobicContact CB-SD 3.49Å; M22-M94 WeakPolarHBondContact CB-SD 3.45Å; M22-M94 HydrophobicContact CG-SD 3.71Å; H90-M94 PolarHBondContact O-N 2.98Å; H90-M94 VanDerWaalsContact O-N 3.11Å; W91-M94 HydrophobicContact CD2-CE 4.17Å; W91-M94 HydrophobicContact CE3-CE 3.34Å; W91-M94 HydrophobicContact CH2-CE 4.2Å; W91-M94 HydrophobicContact CZ3-CE 3.37Å; M94-Y96 PolarHBondContact O-N 3.3Å; M94-Y96 VanDerWaalsContact O-N 3.1Å; M94-G97 PolarHBondContact O-N 3.16Å; M94-R104 HydrophobicContact CE-CB 4.36Å; M94-R104 HydrophobicContact CE-CG 3.34Å; M94-R104 PolarHBondContact O-NH2 3.46Å; M94-L107 HydrophobicContact CE-CD1 3.96Å; M94-L107 HydrophobicContact SD-CD1 3.93Å
95D93.3Very high92.5Very high12 Ų1249 Ų496%0.06424%0.239CC..G310 helixtrans49.435.2-178.8-58-45.6000113.8T19 N23 G97 V98 T101T19-D95 VanDerWaalsContact O-CA 3.29Å; T19-D95 WeakPolarHBondContact O-CA 3.45Å; T19-D95 PolarHBondContact O-N 3.38Å; N23-D95 PolarHBondContact ND2-OD1 3.37Å; N23-D95 PolarHBondContact OD1-OD1 3.25Å; D95-G97 PolarHBondContact O-N 3.14Å; D95-G97 VanDerWaalsContact O-N 3.11Å; D95-V98 VanDerWaalsContact O-CB 3.29Å; D95-V98 WeakPolarHBondContact O-CB 3.39Å; D95-V98 VanDerWaalsContact O-CG2 3.32Å; D95-V98 WeakPolarHBondContact O-CG2 3.49Å; D95-V98 PolarHBondContact O-N 2.72Å; D95-T101 HydrophobicContact CB-CG2 3.73Å; D95-T101 VanDerWaalsContact OD2-CB 3.27Å; D95-T101 WeakPolarHBondContact OD2-CB 3.49Å; D95-T101 PolarHBondContact OD2-OG1 3.22Å
96Y91.4Very high92.9Very high140 Ų14050.5 Ų50.555%0.54925%0.245SC..G310 helixtrans55.128.4-177-47.4-87.7000113.5E14 T19 R20 Q93 M94 V98E14-Y96 PolarHBondContact OE1-OH 3.39Å; E14-Y96 PolarHBondContact OE2-OH 3.42Å; T19-Y96 HydrophobicContact CG2-CD1 3.65Å; T19-Y96 HydrophobicContact CG2-CE1 3.72Å; T19-Y96 HydrophobicContact CG2-CG 4.29Å; R20-Y96 WeakPolarHBondContact CD-OH 3.35Å; R20-Y96 HydrophobicContact CG-CE2 4.26Å; Q93-Y96 PolarHBondContact O-N 3.44Å; M94-Y96 PolarHBondContact O-N 3.3Å; M94-Y96 VanDerWaalsContact O-N 3.1Å; Y96-V98 VanDerWaalsContact C-N 3.27Å; Y96-V98 PolarHBondContact O-N 3.02Å
97G91.1Very high93.4Very high19 Ų1941.9 Ų41.920%0.19621%0.213CC..G310 helixtrans79.5-0.2-176.800000115M94 D95 Q99M94-G97 PolarHBondContact O-N 3.16Å; D95-G97 PolarHBondContact O-N 3.14Å; D95-G97 VanDerWaalsContact O-N 3.11Å; G97-Q99 PolarHBondContact O-N 2.86Å; G97-Q99 PolarHBondContact O-NE2 3.47Å
98V93.2Very high93.8Very high84 Ų8439.6 Ų39.651%0.50920%0.203SC..  trans-63.3126.8176.2178.40000109.5D95 Y96 T101 R104D95-V98 VanDerWaalsContact O-CB 3.29Å; D95-V98 WeakPolarHBondContact O-CB 3.39Å; D95-V98 VanDerWaalsContact O-CG2 3.32Å; D95-V98 WeakPolarHBondContact O-CG2 3.49Å; D95-V98 PolarHBondContact O-N 2.72Å; Y96-V98 VanDerWaalsContact C-N 3.27Å; Y96-V98 PolarHBondContact O-N 3.02Å; V98-T101 HydrophobicContact CB-CG2 4.06Å; V98-T101 HydrophobicContact CG1-CG2 3.81Å; V98-R104 WeakPolarHBondContact O-CD 3.24Å; V98-R104 PolarHBondContact O-NE 3.2Å
99Q92.7Very high94.1Very high49 Ų4941.1 Ų41.123%0.22921%0.21CC..THydrogen-bonded Turntrans-82.1157.9-177.6-58-57.5-41.600111.9G97 T101 P145 H148G97-Q99 PolarHBondContact O-N 2.86Å; G97-Q99 PolarHBondContact O-NE2 3.47Å; Q99-T101 PolarHBondContact O-N 3.1Å; Q99-T101 VanDerWaalsContact O-N 3.11Å; Q99-P145 HydrophobicContact CG-CB 4.21Å; Q99-P145 HydrophobicContact CG-CG 4.37Å; Q99-H148 PolarHBondContact NE2-ND1 2.93Å
100F91.8Very high94.4Very high137 Ų13741.9 Ų41.960%0.60122%0.216SC*.THydrogen-bonded Turntrans57.923.8172.8-53.2-69.2000116.5K105 P145F100-K105 WeakPolarHBondContact O-CE 3.32Å; F100-K105 PolarHBondContact O-NZ 2.81Å; F100-P145 HydrophobicContact CE1-CG 4.45Å; F100-P145 HydrophobicContact CE2-CG 3.93Å; F100-P145 HydrophobicContact CZ-CG 3.65Å
101T95.4Very high94.6Very high31 Ų3141.6 Ų41.619%0.1921%0.214CC..  trans-64.7164.9168.2610000111.7D95 V98 Q99 S103 R104 K105D95-T101 HydrophobicContact CB-CG2 3.73Å; D95-T101 VanDerWaalsContact OD2-CB 3.27Å; D95-T101 WeakPolarHBondContact OD2-CB 3.49Å; D95-T101 PolarHBondContact OD2-OG1 3.22Å; V98-T101 HydrophobicContact CB-CG2 4.06Å; V98-T101 HydrophobicContact CG1-CG2 3.81Å; Q99-T101 PolarHBondContact O-N 3.1Å; Q99-T101 VanDerWaalsContact O-N 3.11Å; T101-S103 VanDerWaalsContact C-N 3.3Å; T101-S103 PolarHBondContact O-N 2.74Å; T101-R104 PolarHBondContact O-N 3.02Å; T101-R104 WeakPolarHBondContact OG1-CB 3.39Å; T101-R104 WeakPolarHBondContact OG1-CG 3.5Å; T101-R104 PolarHBondContact OG1-N 3.37Å; T101-K105 WeakPolarHBondContact O-CB 3.38Å; T101-K105 WeakPolarHBondContact O-CG 3.18Å; T101-K105 PolarHBondContact O-N 2.81Å
102S95.3Very high94.8Very high83 Ų8344 Ų4458%0.5823%0.227SC*.Hα-helixtrans-57.6-42.7179-54.90000112.2K105 F106S102-K105 PolarHBondContact O-N 3.31Å; S102-F106 WeakPolarHBondContact O-CB 3.37Å; S102-F106 PolarHBondContact O-N 2.9Å
103S94.3Very high95Very high1 Ų147.1 Ų47.11%0.00725%0.247CC..Hα-helixtrans-66.5-43.1178.6-600000112.4M22 N23 T101 F106 L107M22-S103 PolarHBondContact O-OG 2.74Å; M22-S103 VanDerWaalsContact O-OG 3.11Å; N23-S103 PolarHBondContact OD1-OG 3.3Å; T101-S103 VanDerWaalsContact C-N 3.3Å; T101-S103 PolarHBondContact O-N 2.74Å; S103-F106 PolarHBondContact O-N 3.35Å; S103-L107 WeakPolarHBondContact O-CG 3.19Å; S103-L107 PolarHBondContact O-N 3.47Å
104R95.1Very high95.3Very high3 Ų347.7 Ų47.71%0.01125%0.25CC..Hα-helixtrans-63.6-41.6174-75.2179-177.7-80.31.7112.4W91 M94 V98 T101 T108W91-R104 HydrophobicContact CH2-CB 3.76Å; W91-R104 HydrophobicContact CH2-CG 3.74Å; W91-R104 HydrophobicContact CZ2-CB 4.4Å; W91-R104 HydrophobicContact CZ2-CG 4.15Å; W91-R104 HydrophobicContact CZ3-CB 4.35Å; W91-R104 HydrophobicContact CZ3-CG 4.09Å; W91-R104 PolarHBondContact O-NH1 2.93Å; W91-R104 PolarHBondContact O-NH2 3.22Å; M94-R104 HydrophobicContact CE-CB 4.36Å; M94-R104 HydrophobicContact CE-CG 3.34Å; M94-R104 PolarHBondContact O-NH2 3.46Å; V98-R104 WeakPolarHBondContact O-CD 3.24Å; V98-R104 PolarHBondContact O-NE 3.2Å; T101-R104 PolarHBondContact O-N 3.02Å; T101-R104 WeakPolarHBondContact OG1-CB 3.39Å; T101-R104 WeakPolarHBondContact OG1-CG 3.5Å; T101-R104 PolarHBondContact OG1-N 3.37Å; R104-T108 VanDerWaalsContact O-CB 3.3Å; R104-T108 WeakPolarHBondContact O-CB 3.34Å; R104-T108 PolarHBondContact O-N 3.12Å; R104-T108 PolarHBondContact O-OG1 2.9Å
105K96.1Very high95.5Very high107 Ų10748.5 Ų48.547%0.46525%0.253SS..Hα-helixtrans-63.5-47.1176.1-77.1173.4177.1162.20110.7F100 T101 S102 T108 I109F100-K105 WeakPolarHBondContact O-CE 3.32Å; F100-K105 PolarHBondContact O-NZ 2.81Å; T101-K105 WeakPolarHBondContact O-CB 3.38Å; T101-K105 WeakPolarHBondContact O-CG 3.18Å; T101-K105 PolarHBondContact O-N 2.81Å; S102-K105 PolarHBondContact O-N 3.31Å; K105-T108 PolarHBondContact O-N 2.95Å; K105-T108 VanDerWaalsContact O-N 3.16Å; K105-I109 HydrophobicContact CB-CD1 4.28Å; K105-I109 WeakPolarHBondContact O-CB 3.25Å; K105-I109 WeakPolarHBondContact O-CD1 3.4Å; K105-I109 WeakPolarHBondContact O-CG1 3.37Å; K105-I109 PolarHBondContact O-N 2.98Å
106F96.3Very high95.8Very high33 Ų3352.8 Ų52.815%0.14528%0.275CS..Hα-helixtrans-53.5-57.8175.8175.6-102.4000111.1W28 Y31 L32 S102 S103 T108 I109 S110W28-F106 HydrophobicContact CB-CE1 4.07Å; W28-F106 HydrophobicContact CB-CE2 4.46Å; W28-F106 HydrophobicContact CB-CZ 3.94Å; W28-F106 HydrophobicContact CD2-CD1 4.16Å; W28-F106 HydrophobicContact CD2-CD2 4.27Å; W28-F106 HydrophobicContact CD2-CE1 4.4Å; W28-F106 HydrophobicContact CD2-CG 4.08Å; W28-F106 HydrophobicContact CE3-CD2 4.09Å; W28-F106 HydrophobicContact CE3-CE2 4.38Å; W28-F106 HydrophobicContact CE3-CG 4.28Å; W28-F106 HydrophobicContact CG-CD1 4.09Å; W28-F106 AromaticContact CG-CE1 3.94Å; W28-F106 HydrophobicContact CG-CE1 3.94Å; W28-F106 HydrophobicContact CG-CG 4.46Å; W28-F106 HydrophobicContact CG-CZ 4.18Å; W28-F106 HydrophobicContact CH2-CB 4.41Å; W28-F106 HydrophobicContact CZ2-CB 4.27Å; W28-F106 HydrophobicContact CZ3-CD2 4.49Å; Y31-F106 AromaticContact CD1-CE1 3.47Å; Y31-F106 HydrophobicContact CD1-CE1 3.47Å; Y31-F106 VanDerWaalsContact CD1-CE1 3.47Å; Y31-F106 AromaticContact CD1-CZ 3.51Å; Y31-F106 HydrophobicContact CD1-CZ 3.51Å; Y31-F106 AromaticContact CE1-CE1 3.78Å; Y31-F106 HydrophobicContact CE1-CE1 3.78Å; Y31-F106 AromaticContact CE1-CZ 3.8Å; Y31-F106 HydrophobicContact CE1-CZ 3.8Å; Y31-F106 HydrophobicContact CG-CE1 4.24Å; L32-F106 HydrophobicContact CD1-CZ 4.45Å; L32-F106 HydrophobicContact CD2-CE2 4.44Å; L32-F106 HydrophobicContact CD2-CZ 4.16Å; L32-F106 HydrophobicContact CG-CZ 4.1Å; S102-F106 WeakPolarHBondContact O-CB 3.37Å; S102-F106 PolarHBondContact O-N 2.9Å; S103-F106 PolarHBondContact O-N 3.35Å; F106-T108 PolarHBondContact O-N 3.27Å; F106-T108 VanDerWaalsContact O-N 3.13Å; F106-I109 PolarHBondContact O-N 2.86Å; F106-I109 VanDerWaalsContact O-N 3.13Å; F106-S110 WeakPolarHBondContact O-CB 3.33Å; F106-S110 PolarHBondContact O-N 3.38Å; F106-S110 PolarHBondContact O-OG 3.03Å
107L96.2Very high96.1Very high1 Ų149.4 Ų49.41%0.00527%0.267CS..Hα-helixtrans-64.7-19.8-179.6-67.5178.7000114.3M22 M65 L69 W91 M94 S103 P111 K143M22-L107 HydrophobicContact CE-CD1 3.89Å; M22-L107 HydrophobicContact CE-CD2 4.49Å; M22-L107 HydrophobicContact CG-CD1 3.71Å; M22-L107 HydrophobicContact CG-CG 4.25Å; M22-L107 HydrophobicContact SD-CD1 4.02Å; M22-L107 HydrophobicContact SD-CD2 4.17Å; M22-L107 HydrophobicContact SD-CG 4.39Å; M65-L107 HydrophobicContact CE-CD2 3.88Å; L69-L107 HydrophobicContact CD1-CD1 4.17Å; L69-L107 HydrophobicContact CD2-CD1 4.14Å; W91-L107 HydrophobicContact CZ3-CB 4.15Å; W91-L107 HydrophobicContact CZ3-CD1 4.31Å; M94-L107 HydrophobicContact CE-CD1 3.96Å; M94-L107 HydrophobicContact SD-CD1 3.93Å; S103-L107 WeakPolarHBondContact O-CG 3.19Å; S103-L107 PolarHBondContact O-N 3.47Å; L107-P111 VanDerWaalsContact O-CD 3.22Å; L107-P111 WeakPolarHBondContact O-CD 3.27Å; L107-K143 PolarHBondContact O-NZ 3.23Å
108T96.9Very high96.4Very high40 Ų4048.5 Ų48.525%0.24526%0.257CS..Hα-helixtrans-82.7-43.2173.3-59.20000111.5R104 K105 F106 P111 I112 L140R104-T108 VanDerWaalsContact O-CB 3.3Å; R104-T108 WeakPolarHBondContact O-CB 3.34Å; R104-T108 PolarHBondContact O-N 3.12Å; R104-T108 PolarHBondContact O-OG1 2.9Å; K105-T108 PolarHBondContact O-N 2.95Å; K105-T108 VanDerWaalsContact O-N 3.16Å; F106-T108 PolarHBondContact O-N 3.27Å; F106-T108 VanDerWaalsContact O-N 3.13Å; T108-P111 WeakPolarHBondContact O-CD 3.3Å; T108-P111 WeakPolarHBondContact O-CG 3.25Å; T108-I112 HydrophobicContact CG2-CD1 4.41Å; T108-I112 WeakPolarHBondContact O-CD1 3.03Å; T108-I112 WeakPolarHBondContact O-CG1 3.3Å; T108-L140 HydrophobicContact CG2-CD2 4.04Å
109I97.7Very high96.6Very high92 Ų9244.8 Ų44.847%0.47224%0.235SC..Hα-helixtrans-75.3-38.4-175.5-68.5165.8000111.3K105 F106 I112 V113K105-I109 HydrophobicContact CB-CD1 4.28Å; K105-I109 WeakPolarHBondContact O-CB 3.25Å; K105-I109 WeakPolarHBondContact O-CD1 3.4Å; K105-I109 WeakPolarHBondContact O-CG1 3.37Å; K105-I109 PolarHBondContact O-N 2.98Å; F106-I109 PolarHBondContact O-N 2.86Å; F106-I109 VanDerWaalsContact O-N 3.13Å; I109-I112 WeakPolarHBondContact O-CA 3.28Å; I109-I112 WeakPolarHBondContact O-CB 3.26Å; I109-I112 PolarHBondContact O-N 2.96Å; I109-V113 HydrophobicContact CG2-CG2 3.84Å; I109-V113 PolarHBondContact O-N 3.18Å
110S97.6Very high96.9Very high19 Ų1948.3 Ų48.313%0.13325%0.249CC..Hα-helixtrans-53.9-50.7-177.4-60.70000114.8Y31 F106 I112 V113 L114Y31-S110 WeakPolarHBondContact OH-CB 3.4Å; F106-S110 WeakPolarHBondContact O-CB 3.33Å; F106-S110 PolarHBondContact O-N 3.38Å; F106-S110 PolarHBondContact O-OG 3.03Å; S110-I112 VanDerWaalsContact C-N 3.27Å; S110-I112 PolarHBondContact O-N 3.14Å; S110-V113 PolarHBondContact O-N 3.46Å; S110-L114 PolarHBondContact O-N 3.4Å
111P97.8Very high97.2Very high1 Ų147 Ų471%0.00624%0.241CC..Hα-helixtrans-64.9-28.7175.524.5-34000113.2N62 L107 T108 H115 L136 V139 L140N62-P111 WeakPolarHBondContact OD1-CB 3.26Å; L107-P111 VanDerWaalsContact O-CD 3.22Å; L107-P111 WeakPolarHBondContact O-CD 3.27Å; T108-P111 WeakPolarHBondContact O-CD 3.3Å; T108-P111 WeakPolarHBondContact O-CG 3.25Å; P111-H115 WeakPolarHBondContact O-CB 3.35Å; P111-H115 PolarHBondContact O-N 3.01Å; P111-L136 HydrophobicContact CB-CD1 3.81Å; P111-L136 HydrophobicContact CG-CD1 4.38Å; P111-V139 HydrophobicContact CB-CG1 4.16Å; P111-V139 HydrophobicContact CG-CG1 4.27Å; P111-L140 HydrophobicContact CG-CD2 4.45Å
112I98.5Very high97.3Very high58 Ų5845.7 Ų45.730%0.29723%0.234SC..Hα-helixtrans-67.4-46.7175.5-61.8169.5000110T108 I109 S110 L114 H115 I116 L136 L140T108-I112 HydrophobicContact CG2-CD1 4.41Å; T108-I112 WeakPolarHBondContact O-CD1 3.03Å; T108-I112 WeakPolarHBondContact O-CG1 3.3Å; I109-I112 WeakPolarHBondContact O-CA 3.28Å; I109-I112 WeakPolarHBondContact O-CB 3.26Å; I109-I112 PolarHBondContact O-N 2.96Å; S110-I112 VanDerWaalsContact C-N 3.27Å; S110-I112 PolarHBondContact O-N 3.14Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.4Å; I112-H115 PolarHBondContact O-N 3.31Å; I112-I116 HydrophobicContact CG2-CD1 4.01Å; I112-I116 WeakPolarHBondContact O-CG1 3.45Å; I112-I116 PolarHBondContact O-N 3.16Å; I112-L136 HydrophobicContact CG1-CD1 4.22Å; I112-L136 HydrophobicContact CG1-CD2 4.48Å; I112-L140 HydrophobicContact CD1-CD1 4.12Å; I112-L140 HydrophobicContact CD1-CD2 4.25Å; I112-L140 HydrophobicContact CG1-CD1 3.94Å; I112-L140 HydrophobicContact CG1-CD2 4.2Å
113V98.5Very high97.4Very high74 Ų7450.5 Ų50.545%0.44824%0.244SC..Hα-helixtrans-61-44.6176.1173.40000110.6I109 S110 H115 I116 L117I109-V113 HydrophobicContact CG2-CG2 3.84Å; I109-V113 PolarHBondContact O-N 3.18Å; S110-V113 PolarHBondContact O-N 3.46Å; V113-H115 VanDerWaalsContact C-N 3.3Å; V113-H115 PolarHBondContact O-N 3.11Å; V113-I116 PolarHBondContact O-N 3Å; V113-L117 HydrophobicContact CG1-CD1 4.2Å; V113-L117 HydrophobicContact CG1-CG 4.5Å; V113-L117 WeakPolarHBondContact O-CG 3.19Å; V113-L117 PolarHBondContact O-N 3.37Å
114L98.3Very high97.4Very high17 Ų1757.6 Ų57.69%0.08927%0.272CS..Hα-helixtrans-60.1-40.6176.5-175.960.3000111.9T35 W54 T57 N58 H61 S110 I112 L117 A118T35-L114 HydrophobicContact CG2-CD2 4.27Å; W54-L114 HydrophobicContact CE3-CD1 4.4Å; W54-L114 HydrophobicContact CZ3-CD1 3.99Å; T57-L114 HydrophobicContact CG2-CD1 4.22Å; T57-L114 HydrophobicContact CG2-CD2 4.44Å; N58-L114 HydrophobicContact CB-CD2 4.5Å; N58-L114 HydrophobicContact CB-CG 4.42Å; H61-L114 HydrophobicContact CB-CD2 3.71Å; S110-L114 PolarHBondContact O-N 3.4Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.4Å; L114-L117 PolarHBondContact O-N 2.86Å; L114-A118 WeakPolarHBondContact O-CB 3.43Å; L114-A118 PolarHBondContact O-N 3.13Å
115H98.4Very high97.6Very high17 Ų1760.8 Ų60.88%0.07929%0.289CS..Hα-helixtrans-65.3-41.3175.3175.192.5000113.1N58 P111 I112 V113 A118 S119 F129 N132 T133 L136N58-H115 WeakPolarHBondContact ND2-CA 3.27Å; P111-H115 WeakPolarHBondContact O-CB 3.35Å; P111-H115 PolarHBondContact O-N 3.01Å; I112-H115 PolarHBondContact O-N 3.31Å; V113-H115 VanDerWaalsContact C-N 3.3Å; V113-H115 PolarHBondContact O-N 3.11Å; H115-A118 PolarHBondContact O-N 2.74Å; H115-S119 WeakPolarHBondContact O-CB 3.39Å; H115-S119 PolarHBondContact O-N 3.15Å; H115-S119 PolarHBondContact O-OG 3.12Å; H115-F129 AromaticContact NE2-CE2 3.85Å; H115-N132 VanDerWaalsContact ND1-C 3.33Å; H115-N132 WeakPolarHBondContact ND1-CB 3.14Å; H115-N132 PolarHBondContact ND1-O 3.05Å; H115-N132 VanDerWaalsContact ND1-O 3.16Å; H115-T133 PolarHBondContact CE1-N 3.4Å; H115-T133 PolarHBondContact CE1-OG1 2.66Å; H115-L136 HydrophobicContact CB-CD2 3.99Å
116I98.5Very high97.7Very high102 Ų10259.2 Ų59.252%0.52330%0.296SS..Hα-helixtrans-62.8-45.8176-69.1166.3000110.2I112 V113 S119 F120I112-I116 HydrophobicContact CG2-CD1 4.01Å; I112-I116 WeakPolarHBondContact O-CG1 3.45Å; I112-I116 PolarHBondContact O-N 3.16Å; V113-I116 PolarHBondContact O-N 3Å; I116-S119 PolarHBondContact O-N 3.11Å; I116-F120 PolarHBondContact O-N 3Å
117L98.2Very high97.7Very high70 Ų7062 Ų6237%0.36632%0.315SS..Hα-helixtrans-60.4-47.2175.2-69.2173.4000111.1W54 V113 L114 S119 F120 Y121W54-L117 HydrophobicContact CE3-CB 4.26Å; W54-L117 HydrophobicContact CH2-CB 4.01Å; W54-L117 HydrophobicContact CH2-CD1 4.29Å; W54-L117 HydrophobicContact CZ3-CB 3.62Å; W54-L117 HydrophobicContact CZ3-CD1 4.27Å; V113-L117 HydrophobicContact CG1-CD1 4.2Å; V113-L117 HydrophobicContact CG1-CG 4.5Å; V113-L117 WeakPolarHBondContact O-CG 3.19Å; V113-L117 PolarHBondContact O-N 3.37Å; L114-L117 PolarHBondContact O-N 2.86Å; L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 3.45Å; L117-F120 WeakPolarHBondContact O-CB 3.44Å; L117-F120 PolarHBondContact O-N 3.4Å; L117-F120 VanDerWaalsContact O-N 3.16Å; L117-Y121 VanDerWaalsContact O-CD2 3.23Å; L117-Y121 WeakPolarHBondContact O-CD2 3.34Å; L117-Y121 PolarHBondContact O-N 2.91Å
118A97.9Very high97.8Very high0 Ų063.8 Ų63.80%032%0.324CS..Hα-helixtrans-57.5-44.9177.400000111.4W54 N58 L114 H115 F120 Y121 T122W54-A118 HydrophobicContact CB-CB 4.14Å; W54-A118 HydrophobicContact CE3-CB 4.29Å; N58-A118 HydrophobicContact CB-CB 4.45Å; L114-A118 WeakPolarHBondContact O-CB 3.43Å; L114-A118 PolarHBondContact O-N 3.13Å; H115-A118 PolarHBondContact O-N 2.74Å; A118-F120 VanDerWaalsContact C-N 3.33Å; A118-F120 PolarHBondContact O-N 2.92Å; A118-Y121 PolarHBondContact O-N 2.9Å; A118-T122 WeakPolarHBondContact O-CB 3.46Å; A118-T122 WeakPolarHBondContact O-CG2 3.34Å; A118-T122 PolarHBondContact O-N 3.13Å; A118-T122 PolarHBondContact O-OG1 3.46Å
119S97.9Very high97.9Very high5 Ų566.4 Ų66.44%0.03533%0.332CS..Hα-helixtrans-60.7-41.1177.4-60.40000112.6H115 I116 L117 T122 K123 Y124H115-S119 WeakPolarHBondContact O-CB 3.39Å; H115-S119 PolarHBondContact O-N 3.15Å; H115-S119 PolarHBondContact O-OG 3.12Å; I116-S119 PolarHBondContact O-N 3.11Å; L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 3.45Å; S119-T122 PolarHBondContact O-OG1 3.11Å; S119-K123 PolarHBondContact O-N 2.69Å; S119-Y124 PolarHBondContact O-N 2.98Å
120F98.1Very high97.9Very high123 Ų12367.4 Ų67.454%0.53934%0.338SS..Hα-helixtrans-63.6-49.1176-179-99.2000111.7I116 L117 A118 T122 K123I116-F120 PolarHBondContact O-N 3Å; L117-F120 WeakPolarHBondContact O-CB 3.44Å; L117-F120 PolarHBondContact O-N 3.4Å; L117-F120 VanDerWaalsContact O-N 3.16Å; A118-F120 VanDerWaalsContact C-N 3.33Å; A118-F120 PolarHBondContact O-N 2.92Å; F120-T122 VanDerWaalsContact C-N 3.33Å; F120-T122 PolarHBondContact O-N 2.86Å; F120-K123 PolarHBondContact O-N 3.49Å
121Y97.6Very high97.9Very high109 Ų10970.1 Ų70.143%0.42735%0.35SS..Hα-helixtrans-75.5-18.8-178.3-75.8-74.1000114.2W54 L117 A118W54-Y121 AromaticContact CD1-CG 3.78Å; W54-Y121 AromaticContact CD2-CD2 3.89Å; W54-Y121 HydrophobicContact CD2-CD2 3.89Å; W54-Y121 HydrophobicContact CD2-CG 4.22Å; W54-Y121 AromaticContact CE2-CD2 3.24Å; W54-Y121 AromaticContact CE2-CE2 3.82Å; W54-Y121 AromaticContact CE2-CG 3.58Å; W54-Y121 HydrophobicContact CE3-CD2 4.46Å; W54-Y121 HydrophobicContact CG-CD2 4.46Å; W54-Y121 HydrophobicContact CG-CG 4.34Å; W54-Y121 AromaticContact CH2-CD2 3.96Å; W54-Y121 HydrophobicContact CH2-CD2 3.96Å; W54-Y121 AromaticContact CH2-CE2 3.95Å; W54-Y121 HydrophobicContact CH2-CE2 3.95Å; W54-Y121 AromaticContact CZ2-CD2 3.29Å; W54-Y121 HydrophobicContact CZ2-CD2 3.29Å; W54-Y121 AromaticContact CZ2-CE2 3.36Å; W54-Y121 HydrophobicContact CZ2-CE2 3.36Å; W54-Y121 HydrophobicContact CZ2-CG 4.03Å; W54-Y121 HydrophobicContact CZ3-CD2 4.49Å; W54-Y121 AromaticContact NE1-CD1 3.81Å; W54-Y121 AromaticContact NE1-CD2 3.49Å; W54-Y121 AromaticContact NE1-CG 3.26Å; W54-Y121 VanDerWaalsContact NE1-CG 3.26Å; L117-Y121 VanDerWaalsContact O-CD2 3.23Å; L117-Y121 WeakPolarHBondContact O-CD2 3.34Å; L117-Y121 PolarHBondContact O-N 2.91Å; A118-Y121 PolarHBondContact O-N 2.9Å
122T97.7Very high98Very high5 Ų570.1 Ų70.13%0.03135%0.35CS..THydrogen-bonded Turntrans-87.97.9168.765.40000112.3P51 W54 A118 S119 F120 Y124 D125 H128P51-T122 HydrophobicContact CB-CG2 3.92Å; P51-T122 WeakPolarHBondContact O-CG2 3.45Å; W54-T122 HydrophobicContact CB-CG2 4.48Å; A118-T122 WeakPolarHBondContact O-CB 3.46Å; A118-T122 WeakPolarHBondContact O-CG2 3.34Å; A118-T122 PolarHBondContact O-N 3.13Å; A118-T122 PolarHBondContact O-OG1 3.46Å; S119-T122 PolarHBondContact O-OG1 3.11Å; F120-T122 VanDerWaalsContact C-N 3.33Å; F120-T122 PolarHBondContact O-N 2.86Å; T122-Y124 PolarHBondContact O-N 2.82Å; T122-Y124 VanDerWaalsContact O-N 3.15Å; T122-D125 WeakPolarHBondContact O-CB 3.49Å; T122-D125 PolarHBondContact O-N 3.24Å; T122-H128 HydrophobicContact CG2-CB 3.66Å
123K97.1Very high97.9Very high184 Ų18469.2 Ų69.280%0.835%0.347SS*.THydrogen-bonded Turntrans52.834.4-179.4-54.7179.8-178.1178.10113S119 F120 D125S119-K123 PolarHBondContact O-N 2.69Å; F120-K123 PolarHBondContact O-N 3.49Å; K123-D125 PolarHBondContact O-N 3.14Å; K123-D125 VanDerWaalsContact O-N 3.17Å
124Y95.8Very high97.9Very high149 Ų14969.2 Ų69.258%0.58435%0.35SS*.THydrogen-bonded Turntrans57.525.8-178-50.2-86.8000114.2S119 T122 A126S119-Y124 PolarHBondContact O-N 2.98Å; T122-Y124 PolarHBondContact O-N 2.82Å; T122-Y124 VanDerWaalsContact O-N 3.15Å; Y124-A126 PolarHBondContact O-N 3.07Å
125D98.1Very high97.9Very high71 Ų7169.1 Ų69.138%0.3835%0.351SS..  trans-53.3131170.4175-94.9000110.8T122 K123 T127 H128 F129T122-D125 WeakPolarHBondContact O-CB 3.49Å; T122-D125 PolarHBondContact O-N 3.24Å; K123-D125 PolarHBondContact O-N 3.14Å; K123-D125 VanDerWaalsContact O-N 3.17Å; D125-T127 VanDerWaalsContact C-N 3.3Å; D125-T127 PolarHBondContact O-N 2.94Å; D125-T127 WeakPolarHBondContact OD1-CA 3.44Å; D125-T127 VanDerWaalsContact OD1-CB 3.26Å; D125-T127 WeakPolarHBondContact OD1-CB 3.33Å; D125-T127 PolarHBondContact OD1-N 2.76Å; D125-H128 HydrophobicContact CB-CB 4.4Å; D125-H128 PolarHBondContact O-N 2.77Å; D125-H128 IonicContact OD1-CD2 3.3Å; D125-H128 PolarHBondContact OD1-CD2 3.35Å; D125-H128 VanDerWaalsContact OD1-CD2 3.3Å; D125-H128 IonicContact OD1-CG 3.86Å; D125-H128 PolarHBondContact OD1-N 3.11Å; D125-H128 VanDerWaalsContact OD1-N 3.08Å; D125-F129 VanDerWaalsContact O-CB 3.26Å; D125-F129 WeakPolarHBondContact O-CB 2.96Å; D125-F129 PolarHBondContact O-N 2.9Å
126A97.8Very high97.9Very high74 Ų7469.1 Ų69.161%0.61235%0.351SS*.Hα-helixtrans-63.5-35-171.500000112.8Y124 L130Y124-A126 PolarHBondContact O-N 3.07Å; A126-L130 WeakPolarHBondContact O-CB 3.34Å; A126-L130 PolarHBondContact O-N 3.38Å
127T97.8Very high97.9Very high90 Ų9068.4 Ų68.455%0.55235%0.346SS*.Hα-helixtrans-68.7-50.8-179.1-52.70000110D125 F129 L130 I131D125-T127 VanDerWaalsContact C-N 3.3Å; D125-T127 PolarHBondContact O-N 2.94Å; D125-T127 WeakPolarHBondContact OD1-CA 3.44Å; D125-T127 VanDerWaalsContact OD1-CB 3.26Å; D125-T127 WeakPolarHBondContact OD1-CB 3.33Å; D125-T127 PolarHBondContact OD1-N 2.76Å; T127-F129 VanDerWaalsContact C-N 3.33Å; T127-F129 PolarHBondContact O-N 3.08Å; T127-L130 PolarHBondContact O-N 3.4Å; T127-I131 HydrophobicContact CG2-CD1 4.03Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 3.08Å; T127-I131 VanDerWaalsContact O-N 3.1Å
128H98.1Very high97.7Very high40 Ų4068.6 Ų68.619%0.18535%0.35CS..Hα-helixtrans-61.3-42.8176.5-72-68.4000111.8T55 T122 D125 L130 I131 N132T55-H128 PolarHBondContact OG1-ND1 2.7Å; T122-H128 HydrophobicContact CG2-CB 3.66Å; D125-H128 HydrophobicContact CB-CB 4.4Å; D125-H128 PolarHBondContact O-N 2.77Å; D125-H128 IonicContact OD1-CD2 3.3Å; D125-H128 PolarHBondContact OD1-CD2 3.35Å; D125-H128 VanDerWaalsContact OD1-CD2 3.3Å; D125-H128 IonicContact OD1-CG 3.86Å; D125-H128 PolarHBondContact OD1-N 3.11Å; D125-H128 VanDerWaalsContact OD1-N 3.08Å; H128-L130 PolarHBondContact O-N 2.88Å; H128-I131 PolarHBondContact O-N 3.08Å; H128-N132 WeakPolarHBondContact O-CB 3.44Å; H128-N132 PolarHBondContact O-N 3.44Å; H128-N132 PolarHBondContact O-ND2 2.71Å
129F97.9Very high97.6Very high95 Ų9568.6 Ų68.642%0.41735%0.35SS..Hα-helixtrans-60.3-46.4178.1-176.4-96.7000112H115 D125 T127 N132 T133H115-F129 AromaticContact NE2-CE2 3.85Å; D125-F129 VanDerWaalsContact O-CB 3.26Å; D125-F129 WeakPolarHBondContact O-CB 2.96Å; D125-F129 PolarHBondContact O-N 2.9Å; T127-F129 VanDerWaalsContact C-N 3.33Å; T127-F129 PolarHBondContact O-N 3.08Å; F129-N132 PolarHBondContact O-N 3.44Å; F129-T133 VanDerWaalsContact O-CB 3.28Å; F129-T133 WeakPolarHBondContact O-CB 3.32Å; F129-T133 PolarHBondContact O-N 3.21Å; F129-T133 PolarHBondContact O-OG1 2.75Å
130L98.4Very high97.5Very high112 Ų11269.9 Ų69.959%0.58636%0.357SS*.Hα-helixtrans-62.8-48.7179.4-177.662.8000111.5A126 T127 H128 N132 T133 C134A126-L130 WeakPolarHBondContact O-CB 3.34Å; A126-L130 PolarHBondContact O-N 3.38Å; T127-L130 PolarHBondContact O-N 3.4Å; H128-L130 PolarHBondContact O-N 2.88Å; L130-N132 PolarHBondContact O-N 3.15Å; L130-T133 PolarHBondContact O-N 3.36Å; L130-C134 PolarHBondContact O-N 2.96Å; L130-C134 PolarHBondContact O-SG 2.78Å; L130-C134 VanDerWaalsContact O-SG 3.34Å
131I98.4Very high97.3Very high77 Ų7767.5 Ų67.540%0.39535%0.349SS..Hα-helixtrans-58.9-48.9178.7-67.8167.9000110.6T55 V59 T127 H128 T133 C134 S135T55-I131 HydrophobicContact CG2-CB 4.41Å; T55-I131 HydrophobicContact CG2-CG2 3.86Å; V59-I131 HydrophobicContact CG2-CG2 3.83Å; T127-I131 HydrophobicContact CG2-CD1 4.03Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 3.08Å; T127-I131 VanDerWaalsContact O-N 3.1Å; H128-I131 PolarHBondContact O-N 3.08Å; I131-T133 VanDerWaalsContact C-N 3.28Å; I131-T133 PolarHBondContact O-N 3.33Å; I131-C134 PolarHBondContact O-N 3.21Å; I131-S135 WeakPolarHBondContact O-CB 3.19Å; I131-S135 PolarHBondContact O-N 2.77Å
132N98.2Very high97.1Very high0 Ų063.9 Ų63.90%034%0.339CS..Hα-helixtrans-64.1-34.1179.6-73.4-31.6000112T55 N58 H115 H128 F129 L130 L136T55-N132 WeakPolarHBondContact CA-OD1 3.33Å; N58-N132 WeakPolarHBondContact ND2-CB 3.31Å; N58-N132 PolarHBondContact ND2-OD1 3.27Å; H115-N132 VanDerWaalsContact ND1-C 3.33Å; H115-N132 WeakPolarHBondContact ND1-CB 3.14Å; H115-N132 PolarHBondContact ND1-O 3.05Å; H115-N132 VanDerWaalsContact ND1-O 3.16Å; H128-N132 WeakPolarHBondContact O-CB 3.44Å; H128-N132 PolarHBondContact O-N 3.44Å; H128-N132 PolarHBondContact O-ND2 2.71Å; F129-N132 PolarHBondContact O-N 3.44Å; L130-N132 PolarHBondContact O-N 3.15Å; N132-L136 WeakPolarHBondContact O-CB 3.47Å; N132-L136 PolarHBondContact O-N 2.96Å
133T98.3Very high96.9Very high40 Ų4064.1 Ų64.125%0.24534%0.34CS..Hα-helixtrans-71.1-49.3177.3-60.60000110.6H115 F129 L130 I131 S135 L136 M137H115-T133 PolarHBondContact CE1-N 3.4Å; H115-T133 PolarHBondContact CE1-OG1 2.66Å; F129-T133 VanDerWaalsContact O-CB 3.28Å; F129-T133 WeakPolarHBondContact O-CB 3.32Å; F129-T133 PolarHBondContact O-N 3.21Å; F129-T133 PolarHBondContact O-OG1 2.75Å; L130-T133 PolarHBondContact O-N 3.36Å; I131-T133 VanDerWaalsContact C-N 3.28Å; I131-T133 PolarHBondContact O-N 3.33Å; T133-S135 VanDerWaalsContact C-N 3.27Å; T133-S135 PolarHBondContact O-N 2.71Å; T133-L136 WeakPolarHBondContact O-CB 3.26Å; T133-L136 PolarHBondContact O-N 2.91Å; T133-L136 VanDerWaalsContact O-N 3.09Å; T133-M137 HydrophobicContact CG2-CG 4.45Å; T133-M137 WeakPolarHBondContact O-CG 3.45Å; T133-M137 PolarHBondContact O-N 3.18Å
134C98.1Very high96.7Very high74 Ų7459.3 Ų59.350%0.532%0.322SS..Hα-helixtrans-55.5-45.5176.2-69.90000111.2L130 I131 M137 T138L130-C134 PolarHBondContact O-N 2.96Å; L130-C134 PolarHBondContact O-SG 2.78Å; L130-C134 VanDerWaalsContact O-SG 3.34Å; I131-C134 PolarHBondContact O-N 3.21Å; C134-M137 PolarHBondContact O-N 3.1Å; C134-T138 PolarHBondContact O-N 2.89Å
135S98Very high96.5Very high15 Ų1554.3 Ų54.311%0.10531%0.308CS..Hα-helixtrans-63.8-38.5176.2-179.50000113.4V59 N62 I131 T133 T138V59-S135 WeakPolarHBondContact CA-OG 3.32Å; N62-S135 VanDerWaalsContact CB-OG 3.27Å; N62-S135 WeakPolarHBondContact CB-OG 3.35Å; N62-S135 PolarHBondContact ND2-O 3.14Å; N62-S135 PolarHBondContact ND2-OG 2.62Å; I131-S135 WeakPolarHBondContact O-CB 3.19Å; I131-S135 PolarHBondContact O-N 2.77Å; T133-S135 VanDerWaalsContact C-N 3.27Å; T133-S135 PolarHBondContact O-N 2.71Å; S135-T138 PolarHBondContact O-N 2.8Å; S135-T138 PolarHBondContact O-OG1 3.3Å
136L98.3Very high96.1Very high16 Ų1657.9 Ų57.98%0.08432%0.322CS..Hα-helixtrans-64.9-41.6175.4-179.963.8000111.1P111 I112 H115 N132 T133 T138 V139 L140P111-L136 HydrophobicContact CB-CD1 3.81Å; P111-L136 HydrophobicContact CG-CD1 4.38Å; I112-L136 HydrophobicContact CG1-CD1 4.22Å; I112-L136 HydrophobicContact CG1-CD2 4.48Å; H115-L136 HydrophobicContact CB-CD2 3.99Å; N132-L136 WeakPolarHBondContact O-CB 3.47Å; N132-L136 PolarHBondContact O-N 2.96Å; T133-L136 WeakPolarHBondContact O-CB 3.26Å; T133-L136 PolarHBondContact O-N 2.91Å; T133-L136 VanDerWaalsContact O-N 3.09Å; L136-T138 VanDerWaalsContact C-N 3.3Å; L136-T138 PolarHBondContact O-N 3.29Å; L136-V139 HydrophobicContact CD1-CG1 4.37Å; L136-V139 VanDerWaalsContact O-CG1 3.3Å; L136-V139 WeakPolarHBondContact O-CG1 3.3Å; L136-V139 PolarHBondContact O-N 3.36Å; L136-V139 VanDerWaalsContact O-N 3.14Å; L136-L140 HydrophobicContact CD1-CD1 3.81Å; L136-L140 HydrophobicContact CD1-CD2 4.31Å; L136-L140 HydrophobicContact CD1-CG 3.79Å; L136-L140 HydrophobicContact CD2-CD1 4Å; L136-L140 HydrophobicContact CG-CD1 3.63Å; L136-L140 HydrophobicContact CG-CG 3.95Å; L136-L140 WeakPolarHBondContact O-CG 2.98Å; L136-L140 PolarHBondContact O-N 2.87Å
137M97.6Very high95.6Very high87 Ų8756.6 Ų56.643%0.42931%0.305SS..Hα-helixtrans-62.7-35.8-179.7-66.1-53.1-66.900112.3T133 C134 V139 L140 I141T133-M137 HydrophobicContact CG2-CG 4.45Å; T133-M137 WeakPolarHBondContact O-CG 3.45Å; T133-M137 PolarHBondContact O-N 3.18Å; C134-M137 PolarHBondContact O-N 3.1Å; M137-V139 PolarHBondContact O-N 2.78Å; M137-L140 PolarHBondContact O-N 2.53Å; M137-I141 HydrophobicContact CB-CD1 4.1Å; M137-I141 HydrophobicContact CE-CD1 3.89Å; M137-I141 HydrophobicContact CE-CG1 3.81Å; M137-I141 WeakPolarHBondContact O-CB 3.43Å; M137-I141 VanDerWaalsContact O-CG1 3.25Å; M137-I141 WeakPolarHBondContact O-CG1 3.49Å; M137-I141 PolarHBondContact O-N 3.16Å
138T94.1Very high95.1Very high74 Ų7455.5 Ų55.545%0.45429%0.293SS..Hα-helixtrans-61.5-28.3177.8590000112.9Y66 C134 S135 L136 P142Y66-T138 WeakPolarHBondContact CD2-O 3.23Å; C134-T138 PolarHBondContact O-N 2.89Å; S135-T138 PolarHBondContact O-N 2.8Å; S135-T138 PolarHBondContact O-OG1 3.3Å; L136-T138 VanDerWaalsContact C-N 3.3Å; L136-T138 PolarHBondContact O-N 3.29Å; T138-P142 WeakPolarHBondContact O-CD 3.36Å; T138-P142 WeakPolarHBondContact O-CG 3.38Å
139V95.4Very high94.4Very high0 Ų055.5 Ų55.50%031%0.305CS..Hα-helixtrans-99.6-22.8-179.7780000113.3N62 M65 P111 L136 M137 K143N62-V139 HydrophobicContact CB-CB 4.48Å; N62-V139 HydrophobicContact CB-CG1 4.25Å; M65-V139 HydrophobicContact CB-CG2 3.99Å; P111-V139 HydrophobicContact CB-CG1 4.16Å; P111-V139 HydrophobicContact CG-CG1 4.27Å; L136-V139 HydrophobicContact CD1-CG1 4.37Å; L136-V139 VanDerWaalsContact O-CG1 3.3Å; L136-V139 WeakPolarHBondContact O-CG1 3.3Å; L136-V139 PolarHBondContact O-N 3.36Å; L136-V139 VanDerWaalsContact O-N 3.14Å; M137-V139 PolarHBondContact O-N 2.78Å; V139-K143 VanDerWaalsContact O-CD 3.26Å; V139-K143 WeakPolarHBondContact O-CD 3.09Å; V139-K143 VanDerWaalsContact O-CE 3.28Å; V139-K143 WeakPolarHBondContact O-CE 3.34Å; V139-K143 VanDerWaalsContact O-CG 3.3Å; V139-K143 WeakPolarHBondContact O-CG 3.5Å
140L96.5Very high93.7Very high32 Ų3254.3 Ų54.317%0.16831%0.305CS..Hα-helixtrans-84.4-40.3177.5-69.4-171.1000113.1T108 P111 I112 L136 M137 K143T108-L140 HydrophobicContact CG2-CD2 4.04Å; P111-L140 HydrophobicContact CG-CD2 4.45Å; I112-L140 HydrophobicContact CD1-CD1 4.12Å; I112-L140 HydrophobicContact CD1-CD2 4.25Å; I112-L140 HydrophobicContact CG1-CD1 3.94Å; I112-L140 HydrophobicContact CG1-CD2 4.2Å; L136-L140 HydrophobicContact CD1-CD1 3.81Å; L136-L140 HydrophobicContact CD1-CD2 4.31Å; L136-L140 HydrophobicContact CD1-CG 3.79Å; L136-L140 HydrophobicContact CD2-CD1 4Å; L136-L140 HydrophobicContact CG-CD1 3.63Å; L136-L140 HydrophobicContact CG-CG 3.95Å; L136-L140 WeakPolarHBondContact O-CG 2.98Å; L136-L140 PolarHBondContact O-N 2.87Å; M137-L140 PolarHBondContact O-N 2.53Å; L140-K143 WeakPolarHBondContact O-CB 3.41Å; L140-K143 PolarHBondContact O-N 2.66Å
141I95.1Very high93Very high73 Ų7351.8 Ų51.837%0.37429%0.287SS..G310 helixtrans-55.6-51-178.2-68.6169.1000110.8M137 K143 L144 L147M137-I141 HydrophobicContact CB-CD1 4.1Å; M137-I141 HydrophobicContact CE-CD1 3.89Å; M137-I141 HydrophobicContact CE-CG1 3.81Å; M137-I141 WeakPolarHBondContact O-CB 3.43Å; M137-I141 VanDerWaalsContact O-CG1 3.25Å; M137-I141 WeakPolarHBondContact O-CG1 3.49Å; M137-I141 PolarHBondContact O-N 3.16Å; I141-K143 PolarHBondContact O-N 3.39Å; I141-K143 VanDerWaalsContact O-N 3.08Å; I141-L144 WeakPolarHBondContact O-CB 3.29Å; I141-L144 VanDerWaalsContact O-CG 3.32Å; I141-L144 WeakPolarHBondContact O-CG 3.27Å; I141-L144 PolarHBondContact O-N 2.86Å; I141-L144 VanDerWaalsContact O-N 3.08Å; I141-L147 HydrophobicContact CG2-CD1 3.45Å; I141-L147 VanDerWaalsContact CG2-CD1 3.45Å; I141-L147 WeakPolarHBondContact O-CD1 3.22Å
142P92.6Very high91.6Very high34 Ų3452 Ų5222%0.22129%0.288CS..G310 helixtrans-67.6-12.3-178.7-18.833.7000114.4Y66 T138Y66-P142 HydrophobicContact CD2-CG 4.45Å; Y66-P142 HydrophobicContact CE2-CG 4.11Å; T138-P142 WeakPolarHBondContact O-CD 3.36Å; T138-P142 WeakPolarHBondContact O-CG 3.38Å
143K94.2Very high89.9Confident10 Ų1061.3 Ų61.34%0.04333%0.329CS..G310 helixtrans-84.1-13.1176.2-67.4176.7-175.9163.10113.1W91 L107 V139 L140 I141W91-K143 HydrophobicContact CD2-CG 4.07Å; W91-K143 HydrophobicContact CE3-CG 4.24Å; W91-K143 HydrophobicContact CH2-CB 4.08Å; W91-K143 HydrophobicContact CH2-CD 3.92Å; W91-K143 HydrophobicContact CH2-CG 3.82Å; W91-K143 HydrophobicContact CZ2-CB 3.55Å; W91-K143 HydrophobicContact CZ2-CD 4.24Å; W91-K143 HydrophobicContact CZ2-CG 3.62Å; W91-K143 HydrophobicContact CZ3-CD 4.11Å; W91-K143 HydrophobicContact CZ3-CG 4.12Å; L107-K143 PolarHBondContact O-NZ 3.23Å; V139-K143 VanDerWaalsContact O-CD 3.26Å; V139-K143 WeakPolarHBondContact O-CD 3.09Å; V139-K143 VanDerWaalsContact O-CE 3.28Å; V139-K143 WeakPolarHBondContact O-CE 3.34Å; V139-K143 VanDerWaalsContact O-CG 3.3Å; V139-K143 WeakPolarHBondContact O-CG 3.5Å; L140-K143 WeakPolarHBondContact O-CB 3.41Å; L140-K143 PolarHBondContact O-N 2.66Å; I141-K143 PolarHBondContact O-N 3.39Å; I141-K143 VanDerWaalsContact O-N 3.08Å
144L92.3Very high88.1Confident83 Ų8361 Ų6144%0.43533%0.334SS..SBendtrans-61.9132.2179.3-66.6177.4000110.6I141 Q146 L147I141-L144 WeakPolarHBondContact O-CB 3.29Å; I141-L144 VanDerWaalsContact O-CG 3.32Å; I141-L144 WeakPolarHBondContact O-CG 3.27Å; I141-L144 PolarHBondContact O-N 2.86Å; I141-L144 VanDerWaalsContact O-N 3.08Å; L144-Q146 PolarHBondContact O-N 3.21Å; L144-Q146 VanDerWaalsContact O-N 3.1Å; L144-L147 PolarHBondContact O-N 3.26Å
145P90.4Very high86.2Confident44 Ų4461.8 Ų61.829%0.28633%0.332SS..G310 helixtrans-54.1-32.7179-28.535.2000113.9Q99 F100 L147 H148Q99-P145 HydrophobicContact CG-CB 4.21Å; Q99-P145 HydrophobicContact CG-CG 4.37Å; F100-P145 HydrophobicContact CE1-CG 4.45Å; F100-P145 HydrophobicContact CE2-CG 3.93Å; F100-P145 HydrophobicContact CZ-CG 3.65Å; P145-L147 PolarHBondContact O-N 2.95Å; P145-H148 VanDerWaalsContact O-CB 3.29Å; P145-H148 WeakPolarHBondContact O-CB 3.48Å; P145-H148 PolarHBondContact O-N 3.4Å
146Q89.6Confident84.2Confident146 Ų14662.9 Ų62.968%0.68234%0.337SS*.G310 helixtrans-65.5-21.3179.1-59.386.3-17.800113.2L144L144-Q146 PolarHBondContact O-N 3.21Å; L144-Q146 VanDerWaalsContact O-N 3.1Å
147L88.3Confident82.4Confident46 Ų4671.7 Ų71.724%0.24138%0.375CS..G310 helixtrans-103.56.1179.9-63.5-175000112.8I141 L144 P145 G149 V150 I152I141-L147 HydrophobicContact CG2-CD1 3.45Å; I141-L147 VanDerWaalsContact CG2-CD1 3.45Å; I141-L147 WeakPolarHBondContact O-CD1 3.22Å; L144-L147 PolarHBondContact O-N 3.26Å; P145-L147 PolarHBondContact O-N 2.95Å; L147-G149 PolarHBondContact O-N 3.45Å; L147-V150 HydrophobicContact CD2-CB 4.49Å; L147-V150 WeakPolarHBondContact O-CB 3.29Å; L147-V150 PolarHBondContact O-N 3.1Å; L147-V150 VanDerWaalsContact O-N 3.15Å; L147-I152 HydrophobicContact CD1-CD1 4.28Å; L147-I152 HydrophobicContact CD2-CD1 4.02Å
148H86.4Confident81.6Confident67 Ų6771 Ų7131%0.3137%0.372SS..THydrogen-bonded Turntrans-64.6126.3176.4-169.786.7000111Q99 P145 V150Q99-H148 PolarHBondContact NE2-ND1 2.93Å; P145-H148 VanDerWaalsContact O-CB 3.29Å; P145-H148 WeakPolarHBondContact O-CB 3.48Å; P145-H148 PolarHBondContact O-N 3.4Å; H148-V150 PolarHBondContact O-N 2.89Å
149G83.3Confident80.9Confident41 Ų4170.8 Ų70.842%0.42337%0.368SS..THydrogen-bonded Turntrans75.9-4.9-176.900000114.5E92 L147E92-G149 WeakPolarHBondContact OE1-CA 3.07Å; E92-G149 PolarHBondContact OE1-N 2.95Å; L147-G149 PolarHBondContact O-N 3.45Å
150V84.4Confident80.1Confident69 Ų6974.7 Ų74.742%0.41839%0.388SS..  trans-80.9140.6-178.1-176.40000109.9L147 H148 I152L147-V150 HydrophobicContact CD2-CB 4.49Å; L147-V150 WeakPolarHBondContact O-CB 3.29Å; L147-V150 PolarHBondContact O-N 3.1Å; L147-V150 VanDerWaalsContact O-N 3.15Å; H148-V150 PolarHBondContact O-N 2.89Å; V150-I152 HydrophobicContact CG1-CG1 3.75Å
151R83.8Confident79.2Confident59 Ų5977.2 Ų77.222%0.22340%0.401CS..  trans-119.878.9179.7-59.7-64.1-179.3-99.14109.3L87 E92 F153 I155 N156L87-R151 PolarHBondContact O-NH2 2.63Å; E92-R151 IonicContact OE1-CZ 3.49Å; E92-R151 IonicContact OE1-NH1 2.7Å; E92-R151 PolarHBondContact OE1-NH1 3.33Å; E92-R151 IonicContact OE1-NH2 3.35Å; E92-R151 PolarHBondContact OE1-NH2 3.11Å; E92-R151 IonicContact OE2-CZ 3.58Å; E92-R151 IonicContact OE2-NH1 3.51Å; E92-R151 IonicContact OE2-NH2 2.77Å; E92-R151 PolarHBondContact OE2-NH2 3.11Å; R151-F153 PolarHBondContact O-N 3.01Å; R151-I155 WeakPolarHBondContact CD-O 3.32Å; R151-N156 VanDerWaalsContact CD-CB 3.45Å; R151-N156 WeakPolarHBondContact CD-O 3.05Å; R151-N156 PolarHBondContact NE-O 3.04Å
152I68.7Low78.2Confident81 Ų8177.5 Ų77.542%0.41540%0.403SS..G310 helixtrans-68.7132.9-178.9-46.9-179.9000108.6L147 V150 G154 I155L147-I152 HydrophobicContact CD1-CD1 4.28Å; L147-I152 HydrophobicContact CD2-CD1 4.02Å; V150-I152 HydrophobicContact CG1-CG1 3.75Å; I152-G154 PolarHBondContact O-N 3.18Å; I152-G154 VanDerWaalsContact O-N 3.14Å; I152-I155 WeakPolarHBondContact O-CB 3.43Å; I152-I155 PolarHBondContact O-N 2.9Å
153F62.9Low77.2Confident197 Ų19780.4 Ų80.486%0.86442%0.415SS*.G310 helixtrans59.518.2180-52.9-65.1000116.4R151 I155R151-F153 PolarHBondContact O-N 3.01Å; F153-I155 HydrophobicContact CB-CG1 4.48Å; F153-I155 PolarHBondContact O-N 2.91Å
154G59.9Low76Confident34 Ų3485.4 Ų85.435%0.35144%0.442SS..G310 helixtrans73.63.5-176.700000114.3I152 N156 K157I152-G154 PolarHBondContact O-N 3.18Å; I152-G154 VanDerWaalsContact O-N 3.14Å; G154-N156 PolarHBondContact O-N 2.94Å; G154-K157 PolarHBondContact O-N 3.01Å; G154-K157 VanDerWaalsContact O-N 3.16Å
155I59.2Low74.8Confident89 Ų8985.6 Ų85.646%0.45644%0.442SS..THydrogen-bonded Turntrans-59.3131.2165.7-60172.3000106.7R151 I152 F153 K157R151-I155 WeakPolarHBondContact CD-O 3.32Å; I152-I155 WeakPolarHBondContact O-CB 3.43Å; I152-I155 PolarHBondContact O-N 2.9Å; F153-I155 HydrophobicContact CB-CG1 4.48Å; F153-I155 PolarHBondContact O-N 2.91Å; I155-K157 PolarHBondContact O-N 3.04Å
156N55.5Low73.4Confident38 Ų3889.1 Ų89.120%0.20346%0.455CS..THydrogen-bonded Turntrans65.125.6-176-63.6-31.2000115.9H70 K73 R151 G154H70-N156 PolarHBondContact O-ND2 2.93Å; K73-N156 WeakPolarHBondContact CE-O 3.29Å; K73-N156 VanDerWaalsContact NZ-CA 3.26Å; K73-N156 PolarHBondContact NZ-O 3.15Å; R151-N156 VanDerWaalsContact CD-CB 3.45Å; R151-N156 WeakPolarHBondContact CD-O 3.05Å; R151-N156 PolarHBondContact NE-O 3.04Å; G154-N156 PolarHBondContact O-N 2.94Å
157K59.4Low72Confident202 Ų20283.9 Ų83.988%0.87844%0.435SS*.  trans-660153.9-80.8-174.5176.2-178.10112K73 G154 I155K73-K157 PolarHBondContact NZ-O 3.39Å; G154-K157 PolarHBondContact O-N 3.01Å; G154-K157 VanDerWaalsContact O-N 3.16Å; I155-K157 PolarHBondContact O-N 3.04Å

Retrieved 157 of 157 residues in 189.7 ms (Link to these results)

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