A0A087WR71_MOUSE Loading...

Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 2

AlphaFold DB , UniProt , Accession A0A087WR71, Species MOUSE (Mus musculus, Mouse), Gene Nmnat2, Length 184 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M70.6Confident84.5Confident134 Ų13477.2 Ų77.266%0.6635%0.352SS*.  0-54.80-153.9174.9-172.200113.1I3 K4 K5 I56M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.36Å; M1-K4 PolarHBondContact O-N 3.3Å; M1-K4 VanDerWaalsContact O-N 3.1Å; M1-K5 PolarHBondContact O-N 2.94Å; M1-I56 HydrophobicContact CE-CD1 4.5Å; M1-I56 HydrophobicContact CG-CD1 4.2Å
2L82.1Confident84.6Confident109 Ų10978.4 Ų78.457%0.57136%0.359SS*.Hα-helixtrans-49.1-43.8-175.2-175.862.4000115.5K4 K5 R6L2-K4 PolarHBondContact O-N 3.35Å; L2-K5 WeakPolarHBondContact O-CB 3.28Å; L2-K5 PolarHBondContact O-N 2.91Å; L2-K5 VanDerWaalsContact O-N 3.17Å; L2-R6 PolarHBondContact O-N 3.49Å
3I81.9Confident84.7Confident77 Ų7786.8 Ų86.840%0.39539%0.394SS..Hα-helixtrans-53-49.3177.8-63.5-175.8000112M1 K5 R6 A7 L180M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.36Å; I3-K5 VanDerWaalsContact C-N 3.34Å; I3-K5 PolarHBondContact O-N 3.43Å; I3-R6 PolarHBondContact O-N 2.93Å; I3-A7 PolarHBondContact O-N 2.96Å; I3-L180 HydrophobicContact CB-CD1 4.26Å; I3-L180 HydrophobicContact CD1-CD1 4.43Å; I3-L180 HydrophobicContact CG1-CD1 3.89Å; I3-L180 HydrophobicContact CG2-CD1 4.03Å; I3-L180 HydrophobicContact CG2-CD2 4.37Å; I3-L180 HydrophobicContact CG2-CG 4.5Å
4K84.1Confident84.8Confident53 Ų5383.8 Ų83.823%0.2339%0.385CS..Hα-helixtrans-64-39.7-179.3-67.5-91169.3166.90110.7M1 L2 A7 R8 I23 W55 I56 L174M1-K4 PolarHBondContact O-N 3.3Å; M1-K4 VanDerWaalsContact O-N 3.1Å; L2-K4 PolarHBondContact O-N 3.35Å; K4-A7 PolarHBondContact O-N 3.2Å; K4-R8 WeakPolarHBondContact O-CB 3.28Å; K4-R8 PolarHBondContact O-N 2.92Å; K4-I23 PolarHBondContact NZ-O 3.22Å; K4-W55 HydrophobicContact CB-CH2 3.9Å; K4-W55 HydrophobicContact CB-CZ2 4.22Å; K4-W55 WeakPolarHBondContact O-CH2 3.32Å; K4-I56 HydrophobicContact CB-CD1 3.98Å; K4-L174 HydrophobicContact CD-CD1 3.81Å
5K85.9Confident84.6Confident111 Ų11183.1 Ų83.148%0.48341%0.41SS..Hα-helixtrans-60.7-51.3174.4-177.9176.9177.7-177.80111.7M1 L2 I3 A7 R8 D9M1-K5 PolarHBondContact O-N 2.94Å; L2-K5 WeakPolarHBondContact O-CB 3.28Å; L2-K5 PolarHBondContact O-N 2.91Å; L2-K5 VanDerWaalsContact O-N 3.17Å; I3-K5 VanDerWaalsContact C-N 3.34Å; I3-K5 PolarHBondContact O-N 3.43Å; K5-A7 VanDerWaalsContact C-N 3.34Å; K5-A7 PolarHBondContact O-N 3.3Å; K5-R8 WeakPolarHBondContact O-CB 3.21Å; K5-R8 PolarHBondContact O-N 3.44Å; K5-D9 WeakPolarHBondContact CE-OD2 3.18Å; K5-D9 VanDerWaalsContact CG-OD2 3.32Å; K5-D9 WeakPolarHBondContact CG-OD2 3.1Å; K5-D9 WeakPolarHBondContact O-CB 3.08Å; K5-D9 PolarHBondContact O-N 2.89Å
6R88.8Confident84.3Confident139 Ų13989.3 Ų89.353%0.52543%0.427SS..Hα-helixtrans-56.8-46.1178.2-71.9-175.1177.7178.3-1.3112.2L2 I3 R8 D9 Y10 L180L2-R6 PolarHBondContact O-N 3.49Å; I3-R6 PolarHBondContact O-N 2.93Å; R6-R8 PolarHBondContact O-N 2.97Å; R6-D9 PolarHBondContact O-N 3.04Å; R6-Y10 WeakPolarHBondContact O-CB 3.13Å; R6-Y10 PolarHBondContact O-N 3.44Å; R6-L180 HydrophobicContact CB-CD2 4.39Å
7A86.9Confident84Confident2 Ų287 Ų872%0.01742%0.415CS..Hα-helixtrans-61.8-42177.500000113I3 K4 K5 L11 L174I3-A7 PolarHBondContact O-N 2.96Å; K4-A7 PolarHBondContact O-N 3.2Å; K5-A7 VanDerWaalsContact C-N 3.34Å; K5-A7 PolarHBondContact O-N 3.3Å; A7-L11 WeakPolarHBondContact O-CB 3.43Å; A7-L11 VanDerWaalsContact O-CG 3.28Å; A7-L11 WeakPolarHBondContact O-CG 3.44Å; A7-L11 PolarHBondContact O-N 3.01Å; A7-L174 HydrophobicContact CB-CD1 3.64Å; A7-L174 HydrophobicContact CB-CD2 3.46Å; A7-L174 VanDerWaalsContact CB-CD2 3.46Å; A7-L174 HydrophobicContact CB-CG 4.19Å
8R88.3Confident84Confident50 Ų5090.6 Ų90.619%0.18944%0.435CS..Hα-helixtrans-60.9-51.1175.3-175.8-170.369165.88.2111.4K4 K5 R6 Y10 L11 H12 V19 W55K4-R8 WeakPolarHBondContact O-CB 3.28Å; K4-R8 PolarHBondContact O-N 2.92Å; K5-R8 WeakPolarHBondContact O-CB 3.21Å; K5-R8 PolarHBondContact O-N 3.44Å; R6-R8 PolarHBondContact O-N 2.97Å; R8-Y10 VanDerWaalsContact C-N 3.3Å; R8-Y10 PolarHBondContact O-N 3.33Å; R8-L11 PolarHBondContact O-N 2.98Å; R8-H12 PolarHBondContact O-N 3.23Å; R8-V19 HydrophobicContact CB-CG1 4.41Å; R8-V19 HydrophobicContact CG-CB 3.81Å; R8-V19 HydrophobicContact CG-CG1 3.88Å; R8-V19 HydrophobicContact CG-CG2 4.24Å; R8-W55 HydrophobicContact CB-CH2 3.7Å; R8-W55 HydrophobicContact CB-CZ2 4.07Å; R8-W55 HydrophobicContact CB-CZ3 4.2Å; R8-W55 HydrophobicContact CG-CH2 4.18Å; R8-W55 HydrophobicContact CG-CZ2 4.45Å; R8-W55 HydrophobicContact CG-CZ3 4.3Å; R8-W55 VanDerWaalsContact NH1-CD1 3.31Å
9D88.5Confident84.1Confident61 Ų6187.4 Ų87.433%0.32642%0.422SS..Hα-helixtrans-65.8-35.2-175.7-58.1-12.8000110.4K5 R6 K13K5-D9 WeakPolarHBondContact CE-OD2 3.18Å; K5-D9 VanDerWaalsContact CG-OD2 3.32Å; K5-D9 WeakPolarHBondContact CG-OD2 3.1Å; K5-D9 WeakPolarHBondContact O-CB 3.08Å; K5-D9 PolarHBondContact O-N 2.89Å; R6-D9 PolarHBondContact O-N 3.04Å; D9-K13 WeakPolarHBondContact O-CB 3.24Å; D9-K13 PolarHBondContact O-N 3.07Å
10Y87.1Confident84.2Confident83 Ų8388.1 Ų88.133%0.32543%0.426SS..Hα-helixtrans-62.5-52.2169.1174.4-88.3000112.6R6 R8 H12 K13 T14 F183R6-Y10 WeakPolarHBondContact O-CB 3.13Å; R6-Y10 PolarHBondContact O-N 3.44Å; R8-Y10 VanDerWaalsContact C-N 3.3Å; R8-Y10 PolarHBondContact O-N 3.33Å; Y10-H12 VanDerWaalsContact C-N 3.31Å; Y10-H12 PolarHBondContact O-N 2.88Å; Y10-K13 WeakPolarHBondContact O-CA 3.35Å; Y10-K13 WeakPolarHBondContact O-CB 3.41Å; Y10-K13 PolarHBondContact O-N 3.38Å; Y10-T14 HydrophobicContact CD1-CG2 4.3Å; Y10-T14 HydrophobicContact CE1-CG2 3.84Å; Y10-T14 WeakPolarHBondContact O-CG2 3.49Å; Y10-T14 PolarHBondContact O-N 3.34Å; Y10-T14 VanDerWaalsContact O-N 3.13Å; Y10-F183 AromaticContact CD1-CD1 3.77Å; Y10-F183 HydrophobicContact CD1-CD1 3.77Å; Y10-F183 AromaticContact CD1-CE1 3.86Å; Y10-F183 HydrophobicContact CD1-CE1 3.86Å; Y10-F183 HydrophobicContact CD1-CG 4.16Å; Y10-F183 HydrophobicContact CD1-CZ 4.34Å; Y10-F183 HydrophobicContact CD2-CB 3.76Å; Y10-F183 AromaticContact CD2-CD1 3.85Å; Y10-F183 HydrophobicContact CD2-CD1 3.85Å; Y10-F183 AromaticContact CD2-CG 3.96Å; Y10-F183 HydrophobicContact CD2-CG 3.96Å; Y10-F183 AromaticContact CE1-CD1 3.46Å; Y10-F183 HydrophobicContact CE1-CD1 3.46Å; Y10-F183 VanDerWaalsContact CE1-CD1 3.46Å; Y10-F183 AromaticContact CE1-CE1 3.42Å; Y10-F183 HydrophobicContact CE1-CE1 3.42Å; Y10-F183 VanDerWaalsContact CE1-CE1 3.42Å; Y10-F183 HydrophobicContact CE1-CG 4.3Å; Y10-F183 HydrophobicContact CE1-CZ 4.23Å; Y10-F183 HydrophobicContact CE2-CB 4.04Å; Y10-F183 AromaticContact CE2-CD1 3.53Å; Y10-F183 HydrophobicContact CE2-CD1 3.53Å; Y10-F183 HydrophobicContact CE2-CE1 4.33Å; Y10-F183 HydrophobicContact CE2-CG 4.08Å; Y10-F183 HydrophobicContact CG-CB 4.17Å; Y10-F183 AromaticContact CG-CD1 3.98Å; Y10-F183 HydrophobicContact CG-CD1 3.98Å; Y10-F183 HydrophobicContact CG-CG 4.01Å; Y10-F183 AromaticContact CZ-CD1 3.33Å; Y10-F183 AromaticContact CZ-CE1 3.69Å
11L85.3Confident84.4Confident30 Ų3085.3 Ų85.316%0.15742%0.421CS..Hα-helixtrans-59-43.3-177.5-75.6168.5000111.5A7 R8 T14 F17 V19 L172A7-L11 WeakPolarHBondContact O-CB 3.43Å; A7-L11 VanDerWaalsContact O-CG 3.28Å; A7-L11 WeakPolarHBondContact O-CG 3.44Å; A7-L11 PolarHBondContact O-N 3.01Å; R8-L11 PolarHBondContact O-N 2.98Å; L11-T14 PolarHBondContact O-N 3.28Å; L11-T14 PolarHBondContact O-OG1 3.46Å; L11-F17 HydrophobicContact CB-CB 4.24Å; L11-F17 HydrophobicContact CD2-CD2 3.64Å; L11-F17 HydrophobicContact CD2-CE2 4.1Å; L11-F17 HydrophobicContact CD2-CG 4.19Å; L11-V19 HydrophobicContact CB-CG2 3.66Å; L11-V19 HydrophobicContact CD1-CG2 3.67Å; L11-V19 HydrophobicContact CG-CG2 4.33Å; L11-L172 HydrophobicContact CD1-CD1 3.95Å; L11-L172 HydrophobicContact CD2-CD1 3.96Å
12H85.3Confident85.4Confident92 Ų9279.3 Ų79.343%0.42639%0.394SS..Hα-helixtrans-61-44172.1-70169.4000112.4R8 Y10 T14 G15 F17 V19R8-H12 PolarHBondContact O-N 3.23Å; Y10-H12 VanDerWaalsContact C-N 3.31Å; Y10-H12 PolarHBondContact O-N 2.88Å; H12-T14 PolarHBondContact O-N 3.48Å; H12-G15 PolarHBondContact O-N 2.76Å; H12-F17 PolarHBondContact CD2-O 2.79Å; H12-V19 PolarHBondContact CD2-N 3.19Å
13K86.4Confident85.9Confident188 Ų18876.8 Ų76.882%0.81738%0.38SS*.Hα-helixtrans-59.9-25.9178-173.5-178.9176.8-171.80113D9 Y10 G15D9-K13 WeakPolarHBondContact O-CB 3.24Å; D9-K13 PolarHBondContact O-N 3.07Å; Y10-K13 WeakPolarHBondContact O-CA 3.35Å; Y10-K13 WeakPolarHBondContact O-CB 3.41Å; Y10-K13 PolarHBondContact O-N 3.38Å; K13-G15 PolarHBondContact O-N 3.15Å
14T85.7Confident86.4Confident44 Ų4475 Ų7527%0.2737%0.373SS..THydrogen-bonded Turntrans-69.5-15.4174.674.60000114.2Y10 L11 H12 R16Y10-T14 HydrophobicContact CD1-CG2 4.3Å; Y10-T14 HydrophobicContact CE1-CG2 3.84Å; Y10-T14 WeakPolarHBondContact O-CG2 3.49Å; Y10-T14 PolarHBondContact O-N 3.34Å; Y10-T14 VanDerWaalsContact O-N 3.13Å; L11-T14 PolarHBondContact O-N 3.28Å; L11-T14 PolarHBondContact O-OG1 3.46Å; H12-T14 PolarHBondContact O-N 3.48Å; T14-R16 PolarHBondContact O-N 2.95Å; T14-R16 PolarHBondContact OG1-N 2.99Å
15G81.8Confident86.9Confident73 Ų7374.2 Ų74.275%0.75337%0.374SS*.SBendtrans68.9-7.2-17400000115.4H12 K13H12-G15 PolarHBondContact O-N 2.76Å; K13-G15 PolarHBondContact O-N 3.15Å
16R80.2Confident87.4Confident183 Ų18369.4 Ų69.469%0.69135%0.354SS*.SBendtrans-93.1-14.1-175.9-62.3-176.3-62.2151.9-1.7114.5T14T14-R16 PolarHBondContact O-N 2.95Å; T14-R16 PolarHBondContact OG1-N 2.99Å
17F79.5Confident87.7Confident50 Ų5064.5 Ų64.522%0.21934%0.339CS..  trans-136.2137.3-172-59.8-70.8000111.2L11 H12L11-F17 HydrophobicContact CB-CB 4.24Å; L11-F17 HydrophobicContact CD2-CD2 3.64Å; L11-F17 HydrophobicContact CD2-CE2 4.1Å; L11-F17 HydrophobicContact CD2-CG 4.19Å; H12-F17 PolarHBondContact CD2-O 2.79Å
18I83.3Confident88.1Confident151 Ų15165.7 Ų65.777%0.77434%0.344SS*.  trans-108.2113165.6-58.7175.3000106.8I20I18-I20 HydrophobicContact CG2-CG2 4.3Å; I18-I20 PolarHBondContact O-N 2.93Å
19V85.4Confident88.5Confident30 Ų3066 Ų6618%0.18235%0.35CS..  trans-84.5103.3179.1179.40000108.6R8 L11 H12 W55R8-V19 HydrophobicContact CB-CG1 4.41Å; R8-V19 HydrophobicContact CG-CB 3.81Å; R8-V19 HydrophobicContact CG-CG1 3.88Å; R8-V19 HydrophobicContact CG-CG2 4.24Å; L11-V19 HydrophobicContact CB-CG2 3.66Å; L11-V19 HydrophobicContact CD1-CG2 3.67Å; L11-V19 HydrophobicContact CG-CG2 4.33Å; H12-V19 PolarHBondContact CD2-N 3.19Å; V19-W55 HydrophobicContact CG1-CE3 4.33Å; V19-W55 HydrophobicContact CG1-CZ3 3.94Å
20I86.1Confident88.8Confident101 Ų10166.2 Ų66.252%0.51836%0.356SS..  trans-80.9-13.5-17761.5172.9000114.4I18 M82 L169I18-I20 HydrophobicContact CG2-CG2 4.3Å; I18-I20 PolarHBondContact O-N 2.93Å; I20-M82 HydrophobicContact CD1-CE 4.16Å; I20-L169 HydrophobicContact CD1-CD1 4.23Å
21G89.3Confident89.1Confident30 Ų3067.9 Ų67.931%0.30936%0.363SS..  trans-179.6170.8-176.600000113.4W55G21-W55 CarbonylContact C-O 3.41Å; G21-W55 WeakPolarHBondContact CA-O 3.39Å
22G90.8Very high89.2Confident9 Ų969.5 Ų69.59%0.09339%0.387CS..EExtended strand (participates in β ladder)trans-140.3129.9176.600000111.7W55 I56 R57G22-W55 PolarHBondContact N-O 3.36Å; G22-I56 CarbonylContact O-C 3.56Å; G22-I56 VanDerWaalsContact O-CA 3.28Å; G22-I56 WeakPolarHBondContact O-CA 3.42Å; G22-I56 WeakPolarHBondContact O-CG2 3.18Å; G22-R57 PolarHBondContact O-N 3.28Å
23I92.9Very high89.6Confident56 Ų5671.8 Ų71.829%0.28740%0.395SS..EExtended strand (participates in β ladder)trans-103.4142.3178.7-57.3173000110.3K4 D59 H78K4-I23 PolarHBondContact NZ-O 3.22Å; I23-D59 HydrophobicContact CG2-CB 3.69Å; I23-H78 HydrophobicContact CD1-CB 4.26Å
24V93.9Very high89.9Confident40 Ų4071.8 Ų71.824%0.24240%0.398CS..EExtended strand (participates in β ladder)trans-114.9111.6163.1178.20000107.2C46 I56 R57 V58 D59V24-C46 HydrophobicContact CG1-CB 4.28Å; V24-I56 HydrophobicContact CG2-CG2 4.04Å; V24-R57 PolarHBondContact N-O 3.13Å; V24-V58 HydrophobicContact CB-CG2 4.45Å; V24-V58 WeakPolarHBondContact O-CA 3.28Å; V24-V58 WeakPolarHBondContact O-CG1 3.23Å; V24-D59 PolarHBondContact O-N 3.45Å
25S94.3Very high90.3Very high36 Ų3673.6 Ų73.625%0.25243%0.426SS..  trans-102.5110.9169.9-177.40000108.3E62S25-E62 PolarHBondContact OG-OE2 3.46Å
26P94.8Very high90.9Very high10 Ų1072.7 Ų72.77%0.06540%0.403CS..PPolyproline II helixtrans-74.7138.5171-17.634.6000110.4R42 L43 C46 V58 D59 C63P26-R42 HydrophobicContact CB-CB 4.41Å; P26-L43 HydrophobicContact CG-CD2 3.79Å; P26-L43 HydrophobicContact CG-CG 4.35Å; P26-C46 HydrophobicContact CG-CB 4.41Å; P26-V58 HydrophobicContact CG-CG1 4.03Å; P26-D59 WeakPolarHBondContact CD-O 3.49Å; P26-C63 PolarHBondContact O-SG 3.12Å
27V95.3Very high91.7Very high35 Ų3567.5 Ų67.521%0.21239%0.392CS..PPolyproline II helixtrans-60.1150.9-176.671.10000113.1Y31 L36 R42 E62V27-Y31 HydrophobicContact CG1-CD1 4.3Å; V27-Y31 HydrophobicContact CG2-CD1 4.07Å; V27-Y31 HydrophobicContact CG2-CD2 4.15Å; V27-Y31 HydrophobicContact CG2-CG 3.69Å; V27-L36 HydrophobicContact CG1-CD1 4.42Å; V27-L36 HydrophobicContact CG1-CD2 3.96Å; V27-R42 PolarHBondContact O-NH1 3.28Å; V27-R42 PolarHBondContact O-NH2 2.96Å; V27-E62 WeakPolarHBondContact CA-OE1 3.36Å; V27-E62 VanDerWaalsContact CG2-OE1 3.27Å; V27-E62 WeakPolarHBondContact CG2-OE1 3.48Å
28H96.9Very high92.5Very high27 Ų2767.3 Ų67.313%0.12540%0.397CS..PPolyproline II helixtrans-62.8155.4170.4-170.6-116.5000112.7S30 Y31 E62 Q65 W68H28-S30 WeakPolarHBondContact ND1-CB 3.49Å; H28-S30 PolarHBondContact ND1-N 3.46Å; H28-S30 VanDerWaalsContact ND1-N 3.16Å; H28-S30 PolarHBondContact ND1-OG 3.18Å; H28-Y31 VanDerWaalsContact O-CB 3.29Å; H28-Y31 WeakPolarHBondContact O-CB 3.32Å; H28-Y31 PolarHBondContact O-N 3.15Å; H28-E62 PolarHBondContact N-OE1 3.46Å; H28-Q65 PolarHBondContact CD2-O 2.73Å; H28-Q65 PolarHBondContact NE2-O 2.68Å; H28-W68 HydrophobicContact CB-CB 4.21Å; H28-W68 PolarHBondContact ND1-N 2.84Å
29D95.6Very high93.1Very high56 Ų5661 Ų6130%0.29937%0.366SS..G310 helixtrans-70.8-30.3-179.7-76.7-29000113.4Y31 G32 S38 S39 R42D29-Y31 PolarHBondContact O-N 3.21Å; D29-G32 PolarHBondContact O-N 2.9Å; D29-S38 WeakPolarHBondContact OD1-CA 3.33Å; D29-S39 PolarHBondContact OD1-N 3.16Å; D29-S39 WeakPolarHBondContact OD2-CB 3.43Å; D29-S39 PolarHBondContact OD2-N 2.97Å; D29-S39 PolarHBondContact OD2-OG 2.86Å; D29-R42 IonicContact OD1-CZ 3.77Å; D29-R42 IonicContact OD1-NH2 2.72Å; D29-R42 PolarHBondContact OD1-NH2 3.49Å
30S95.4Very high93.5Very high66 Ų6668.4 Ų68.446%0.46239%0.391SS..G310 helixtrans-70.65.5175.386.80000113.9H28 G32 W68H28-S30 WeakPolarHBondContact ND1-CB 3.49Å; H28-S30 PolarHBondContact ND1-N 3.46Å; H28-S30 VanDerWaalsContact ND1-N 3.16Å; H28-S30 PolarHBondContact ND1-OG 3.18Å; S30-G32 PolarHBondContact O-N 3.33Å; S30-W68 WeakPolarHBondContact OG-CB 3.37Å; S30-W68 PolarHBondContact OG-N 2.98Å
31Y93.4Very high94.1Very high119 Ų11968.5 Ų68.547%0.46739%0.389SS..G310 helixtrans-62.7-20166.8178.9-117.7000112.1V27 H28 D29 K33 L36 W68V27-Y31 HydrophobicContact CG1-CD1 4.3Å; V27-Y31 HydrophobicContact CG2-CD1 4.07Å; V27-Y31 HydrophobicContact CG2-CD2 4.15Å; V27-Y31 HydrophobicContact CG2-CG 3.69Å; H28-Y31 VanDerWaalsContact O-CB 3.29Å; H28-Y31 WeakPolarHBondContact O-CB 3.32Å; H28-Y31 PolarHBondContact O-N 3.15Å; D29-Y31 PolarHBondContact O-N 3.21Å; Y31-K33 HydrophobicContact CD1-CB 3.74Å; Y31-K33 HydrophobicContact CE1-CB 3.73Å; Y31-K33 HydrophobicContact CE1-CD 4.23Å; Y31-K33 PolarHBondContact O-N 2.91Å; Y31-K33 VanDerWaalsContact O-N 3.12Å; Y31-L36 HydrophobicContact CD1-CD2 4.38Å; Y31-W68 AromaticContact CD2-CD1 3.76Å; Y31-W68 HydrophobicContact CD2-CD2 4.32Å; Y31-W68 AromaticContact CD2-CE2 3.9Å; Y31-W68 HydrophobicContact CD2-CG 4.22Å; Y31-W68 AromaticContact CD2-NE1 3.52Å
32G86.6Confident94.5Very high64 Ų6468.4 Ų68.466%0.6638%0.379SS*.  trans72.67.516500000115.9D29 S30 Q34D29-G32 PolarHBondContact O-N 2.9Å; S30-G32 PolarHBondContact O-N 3.33Å; G32-Q34 PolarHBondContact O-N 3.29Å
33K93.1Very high94.7Very high139 Ų13968.6 Ų68.660%0.60438%0.378SS*.  trans-61.4123173.5178.4170.8-178.81740110.3Y31 G35 L36Y31-K33 HydrophobicContact CD1-CB 3.74Å; Y31-K33 HydrophobicContact CE1-CB 3.73Å; Y31-K33 HydrophobicContact CE1-CD 4.23Å; Y31-K33 PolarHBondContact O-N 2.91Å; Y31-K33 VanDerWaalsContact O-N 3.12Å; K33-G35 PolarHBondContact O-N 2.82Å; K33-L36 HydrophobicContact CB-CB 4.29Å; K33-L36 WeakPolarHBondContact O-CB 3.45Å; K33-L36 PolarHBondContact O-N 3.26Å; K33-L36 VanDerWaalsContact O-N 3.08Å
34Q94.5Very high94.9Very high188 Ų18869.6 Ų69.688%0.87938%0.383SS*.THydrogen-bonded Turntrans-56.9138177.3-69.7-170.1-12.300111.6G32 L36G32-Q34 PolarHBondContact O-N 3.29Å; Q34-L36 PolarHBondContact O-N 3.17Å
35G94.2Very high95Very high82 Ų8272.8 Ų72.885%0.84540%0.396SS*.THydrogen-bonded Turntrans71.67-176.500000115.2K33 V37K33-G35 PolarHBondContact O-N 2.82Å; G35-V37 PolarHBondContact O-N 3.02Å; G35-V37 VanDerWaalsContact O-N 3.17Å
36L93.7Very high95.1Very high54 Ų5472.6 Ų72.628%0.28340%0.395SS..  trans-66.9113.8174.3-17565000110.2V27 Y31 K33 Q34V27-L36 HydrophobicContact CG1-CD1 4.42Å; V27-L36 HydrophobicContact CG1-CD2 3.96Å; Y31-L36 HydrophobicContact CD1-CD2 4.38Å; K33-L36 HydrophobicContact CB-CB 4.29Å; K33-L36 WeakPolarHBondContact O-CB 3.45Å; K33-L36 PolarHBondContact O-N 3.26Å; K33-L36 VanDerWaalsContact O-N 3.08Å; Q34-L36 PolarHBondContact O-N 3.17Å
37V95.9Very high95.1Very high75 Ų7576.8 Ų76.846%0.45541%0.414SS..  trans-60.7145.4171.2-174.80000109.5G35 H41 R42G35-V37 PolarHBondContact O-N 3.02Å; G35-V37 VanDerWaalsContact O-N 3.17Å; V37-H41 HydrophobicContact CG1-CB 3.77Å; V37-R42 HydrophobicContact CB-CG 4.43Å; V37-R42 VanDerWaalsContact O-CD 3.3Å; V37-R42 WeakPolarHBondContact O-CD 3.5Å; V37-R42 PolarHBondContact O-NE 3.29Å
38S96.7Very high95.2Very high45 Ų4579.7 Ų79.732%0.31543%0.428SS..  trans-55.4146.7-177.861.50000114.5D29 R40 H41 R42D29-S38 WeakPolarHBondContact OD1-CA 3.33Å; S38-R40 VanDerWaalsContact C-N 3.27Å; S38-R40 PolarHBondContact O-N 2.99Å; S38-H41 PolarHBondContact O-N 3.02Å; S38-H41 PolarHBondContact OG-ND1 2.96Å; S38-R42 PolarHBondContact O-N 3.37Å
39S95.4Very high95.1Very high19 Ų1981.4 Ų81.413%0.13345%0.446CS..Hα-helixtrans-47.8-46.5178.252.20000112D29 H41 R42 L43D29-S39 PolarHBondContact OD1-N 3.16Å; D29-S39 WeakPolarHBondContact OD2-CB 3.43Å; D29-S39 PolarHBondContact OD2-N 2.97Å; D29-S39 PolarHBondContact OD2-OG 2.86Å; S39-H41 PolarHBondContact O-N 2.88Å; S39-R42 PolarHBondContact O-N 3.3Å; S39-R42 VanDerWaalsContact O-N 3.17Å; S39-L43 WeakPolarHBondContact O-CB 3.49Å; S39-L43 WeakPolarHBondContact O-CG 3.35Å; S39-L43 PolarHBondContact O-N 2.95Å
40R95.6Very high95Very high185 Ų18579.6 Ų79.670%0.69844%0.437SS*.Hα-helixtrans-53.2-49175.7-178.5174.9176.7159.4-0.3112.8S38 I44S38-R40 VanDerWaalsContact C-N 3.27Å; S38-R40 PolarHBondContact O-N 2.99Å; R40-I44 HydrophobicContact CG-CD1 4.23Å; R40-I44 WeakPolarHBondContact O-CD1 3.49Å; R40-I44 VanDerWaalsContact O-CG1 3.31Å; R40-I44 WeakPolarHBondContact O-CG1 3.4Å; R40-I44 PolarHBondContact O-N 3.12Å
41H97.4Very high94.9Very high103 Ų10382.5 Ų82.548%0.47744%0.443SS..Hα-helixtrans-69.9-40.2178.2-65.1133.1000111.5V37 S38 S39 L43 I44 M45V37-H41 HydrophobicContact CG1-CB 3.77Å; S38-H41 PolarHBondContact O-N 3.02Å; S38-H41 PolarHBondContact OG-ND1 2.96Å; S39-H41 PolarHBondContact O-N 2.88Å; H41-L43 PolarHBondContact O-N 3.36Å; H41-I44 PolarHBondContact O-N 3.23Å; H41-M45 WeakPolarHBondContact O-CB 3.32Å; H41-M45 WeakPolarHBondContact O-CG 3.48Å; H41-M45 PolarHBondContact O-N 2.84Å
42R97.3Very high94.9Very high29 Ų2984 Ų8411%0.10946%0.46CS..Hα-helixtrans-61.6-42.3177-69.8-174.7-72.1110.6-7.5112.2P26 V27 D29 V37 S38 S39 M45 C46P26-R42 HydrophobicContact CB-CB 4.41Å; V27-R42 PolarHBondContact O-NH1 3.28Å; V27-R42 PolarHBondContact O-NH2 2.96Å; D29-R42 IonicContact OD1-CZ 3.77Å; D29-R42 IonicContact OD1-NH2 2.72Å; D29-R42 PolarHBondContact OD1-NH2 3.49Å; V37-R42 HydrophobicContact CB-CG 4.43Å; V37-R42 VanDerWaalsContact O-CD 3.3Å; V37-R42 WeakPolarHBondContact O-CD 3.5Å; V37-R42 PolarHBondContact O-NE 3.29Å; S38-R42 PolarHBondContact O-N 3.37Å; S39-R42 PolarHBondContact O-N 3.3Å; S39-R42 VanDerWaalsContact O-N 3.17Å; R42-M45 HydrophobicContact CG-CE 4.19Å; R42-M45 PolarHBondContact O-N 3.17Å; R42-C46 WeakPolarHBondContact O-CB 3.28Å; R42-C46 PolarHBondContact O-N 3.41Å; R42-C46 PolarHBondContact O-SG 3.44Å
43L95.5Very high95.1Very high12 Ų1281.3 Ų81.36%0.06343%0.431CS..Hα-helixtrans-58.1-51.2174.2-78167.1000111.6P26 S39 H41 M45 C46 Q47 V58 P60 C63 Y64P26-L43 HydrophobicContact CG-CD2 3.79Å; P26-L43 HydrophobicContact CG-CG 4.35Å; S39-L43 WeakPolarHBondContact O-CB 3.49Å; S39-L43 WeakPolarHBondContact O-CG 3.35Å; S39-L43 PolarHBondContact O-N 2.95Å; H41-L43 PolarHBondContact O-N 3.36Å; L43-M45 PolarHBondContact O-N 3.44Å; L43-C46 PolarHBondContact O-N 3.5Å; L43-Q47 WeakPolarHBondContact O-CB 3.45Å; L43-Q47 VanDerWaalsContact O-CG 3.27Å; L43-Q47 WeakPolarHBondContact O-CG 3.46Å; L43-Q47 PolarHBondContact O-N 2.94Å; L43-V58 HydrophobicContact CD2-CG1 3.93Å; L43-P60 HydrophobicContact CD1-CB 4.22Å; L43-P60 HydrophobicContact CD2-CB 3.82Å; L43-C63 HydrophobicContact CD1-CB 3.75Å; L43-C63 HydrophobicContact CG-CB 4.38Å; L43-Y64 HydrophobicContact CD1-CE1 4.46Å
44I96.6Very high95Very high77 Ų7780.8 Ų80.840%0.39544%0.435SS..Hα-helixtrans-61.1-46.4179.3-65.7164000110.8R40 H41 C46 Q47 L48R40-I44 HydrophobicContact CG-CD1 4.23Å; R40-I44 WeakPolarHBondContact O-CD1 3.49Å; R40-I44 VanDerWaalsContact O-CG1 3.31Å; R40-I44 WeakPolarHBondContact O-CG1 3.4Å; R40-I44 PolarHBondContact O-N 3.12Å; H41-I44 PolarHBondContact O-N 3.23Å; I44-C46 PolarHBondContact O-N 2.99Å; I44-Q47 PolarHBondContact O-N 3.38Å; I44-L48 HydrophobicContact CG2-CD1 4Å; I44-L48 HydrophobicContact CG2-CG 4.49Å; I44-L48 WeakPolarHBondContact O-CG 3.46Å; I44-L48 PolarHBondContact O-N 3.38Å
45M97.4Very high94.8Very high107 Ų10773.7 Ų73.753%0.52740%0.4SS..Hα-helixtrans-60.6-42.7176.2-72.3-172.6-66.600112.2H41 R42 L43 A49H41-M45 WeakPolarHBondContact O-CB 3.32Å; H41-M45 WeakPolarHBondContact O-CG 3.48Å; H41-M45 PolarHBondContact O-N 2.84Å; R42-M45 HydrophobicContact CG-CE 4.19Å; R42-M45 PolarHBondContact O-N 3.17Å; L43-M45 PolarHBondContact O-N 3.44Å; M45-A49 VanDerWaalsContact O-CB 3.23Å; M45-A49 WeakPolarHBondContact O-CB 3.16Å; M45-A49 PolarHBondContact O-N 3.05Å
46C95.5Very high94.6Very high33 Ų3370 Ų7022%0.22336%0.36CS..Hα-helixtrans-64.6-40.4175.7-730000112.1V24 P26 R42 L43 I44 A49 V50 V58V24-C46 HydrophobicContact CG1-CB 4.28Å; P26-C46 HydrophobicContact CG-CB 4.41Å; R42-C46 WeakPolarHBondContact O-CB 3.28Å; R42-C46 PolarHBondContact O-N 3.41Å; R42-C46 PolarHBondContact O-SG 3.44Å; L43-C46 PolarHBondContact O-N 3.5Å; I44-C46 PolarHBondContact O-N 2.99Å; C46-A49 PolarHBondContact O-N 2.91Å; C46-V50 PolarHBondContact O-N 2.99Å; C46-V58 VanDerWaalsContact C-CG2 3.49Å; C46-V58 HydrophobicContact CB-CG1 3.99Å; C46-V58 HydrophobicContact CB-CG2 3.71Å; C46-V58 WeakPolarHBondContact O-CG2 3.28Å
47Q95.5Very high94.5Very high98 Ų9872.1 Ų72.146%0.45837%0.365SS..Hα-helixtrans-63.6-49.5178.9-75.8168.8-1300110.7L43 I44 A49 V50 Q51 V58L43-Q47 WeakPolarHBondContact O-CB 3.45Å; L43-Q47 VanDerWaalsContact O-CG 3.27Å; L43-Q47 WeakPolarHBondContact O-CG 3.46Å; L43-Q47 PolarHBondContact O-N 2.94Å; I44-Q47 PolarHBondContact O-N 3.38Å; Q47-A49 VanDerWaalsContact C-N 3.29Å; Q47-A49 PolarHBondContact O-N 2.89Å; Q47-V50 CarbonylContact O-C 3.55Å; Q47-V50 PolarHBondContact O-N 3.19Å; Q47-V50 VanDerWaalsContact O-N 3.12Å; Q47-Q51 PolarHBondContact O-N 3.48Å; Q47-V58 HydrophobicContact CG-CB 4.07Å; Q47-V58 HydrophobicContact CG-CG1 4.49Å; Q47-V58 HydrophobicContact CG-CG2 4.01Å
48L96.9Very high94.5Very high96 Ų9669.7 Ų69.750%0.50335%0.35SS..Hα-helixtrans-59.2-39.3174.2-67.8170.9000112I44 V50 Q51I44-L48 HydrophobicContact CG2-CD1 4Å; I44-L48 HydrophobicContact CG2-CG 4.49Å; I44-L48 WeakPolarHBondContact O-CG 3.46Å; I44-L48 PolarHBondContact O-N 3.38Å; L48-V50 PolarHBondContact O-N 2.93Å; L48-Q51 VanDerWaalsContact O-CG 3.24Å; L48-Q51 WeakPolarHBondContact O-CG 3.36Å; L48-Q51 PolarHBondContact O-N 3.42Å; L48-Q51 PolarHBondContact O-NE2 3.22Å
49A95.1Very high94.4Very high63 Ų6368.4 Ų68.452%0.52134%0.34SS..Hα-helixtrans-69.1-15.8178.400000114.5M45 C46 Q47M45-A49 VanDerWaalsContact O-CB 3.23Å; M45-A49 WeakPolarHBondContact O-CB 3.16Å; M45-A49 PolarHBondContact O-N 3.05Å; C46-A49 PolarHBondContact O-N 2.91Å; Q47-A49 VanDerWaalsContact C-N 3.29Å; Q47-A49 PolarHBondContact O-N 2.89Å
50V93.6Very high94.4Very high17 Ų1768.5 Ų68.510%0.10334%0.34CS..Hα-helixtrans-118.44.9176.6-51.10000113.7C46 Q47 L48 N52 S53 I56 V58C46-V50 PolarHBondContact O-N 2.99Å; Q47-V50 CarbonylContact O-C 3.55Å; Q47-V50 PolarHBondContact O-N 3.19Å; Q47-V50 VanDerWaalsContact O-N 3.12Å; L48-V50 PolarHBondContact O-N 2.93Å; V50-N52 PolarHBondContact O-N 2.97Å; V50-N52 VanDerWaalsContact O-N 3.15Å; V50-S53 WeakPolarHBondContact O-CA 3.44Å; V50-S53 WeakPolarHBondContact O-CB 3.27Å; V50-S53 PolarHBondContact O-N 2.72Å; V50-I56 HydrophobicContact CB-CB 4.39Å; V50-I56 HydrophobicContact CB-CG2 4.23Å; V50-I56 HydrophobicContact CG1-CB 4.32Å; V50-I56 HydrophobicContact CG1-CG2 3.73Å; V50-V58 HydrophobicContact CG2-CG2 3.69Å
51Q93.9Very high94.5Very high127 Ų12762.2 Ų62.259%0.59332%0.316SS*.THydrogen-bonded Turntrans-55.7-35.8-174.771.5-169.4-24.900113.6Q47 L48 S53Q47-Q51 PolarHBondContact O-N 3.48Å; L48-Q51 VanDerWaalsContact O-CG 3.24Å; L48-Q51 WeakPolarHBondContact O-CG 3.36Å; L48-Q51 PolarHBondContact O-N 3.42Å; L48-Q51 PolarHBondContact O-NE2 3.22Å; Q51-S53 VanDerWaalsContact C-N 3.31Å
52N92.6Very high94.4Very high151 Ų15157.9 Ų57.981%0.80730%0.296SS*.THydrogen-bonded Turntrans-91.713.9178.2-64.2-23.2000112.9V50V50-N52 PolarHBondContact O-N 2.97Å; V50-N52 VanDerWaalsContact O-N 3.15Å
53S90.8Very high94.3Very high8 Ų857 Ų576%0.05629%0.294CS..  trans-95.7130.6175.3-157.90000110.5V50 Q51 I56 R57V50-S53 WeakPolarHBondContact O-CA 3.44Å; V50-S53 WeakPolarHBondContact O-CB 3.27Å; V50-S53 PolarHBondContact O-N 2.72Å; Q51-S53 VanDerWaalsContact C-N 3.31Å; S53-I56 WeakPolarHBondContact OG-CB 3.37Å; S53-I56 WeakPolarHBondContact OG-CG1 3.29Å; S53-I56 PolarHBondContact OG-N 3.03Å; S53-R57 PolarHBondContact O-NH1 3.31Å
54D90.4Very high94.3Very high128 Ų12863.7 Ų63.768%0.68432%0.32SS*.SBendtrans-73.1-39.5168.756.4-30.7000112.4R57D54-R57 PolarHBondContact O-NH2 3.05Å; D54-R57 VanDerWaalsContact O-NH2 3.07Å
55W90.1Very high94.2Very high38 Ų3862.7 Ų62.714%0.14431%0.313CS..SBendtrans-108.4-13.1-170.476.2-80.1000116.3K4 R8 V19 G21 G22K4-W55 HydrophobicContact CB-CH2 3.9Å; K4-W55 HydrophobicContact CB-CZ2 4.22Å; K4-W55 WeakPolarHBondContact O-CH2 3.32Å; R8-W55 HydrophobicContact CB-CH2 3.7Å; R8-W55 HydrophobicContact CB-CZ2 4.07Å; R8-W55 HydrophobicContact CB-CZ3 4.2Å; R8-W55 HydrophobicContact CG-CH2 4.18Å; R8-W55 HydrophobicContact CG-CZ2 4.45Å; R8-W55 HydrophobicContact CG-CZ3 4.3Å; R8-W55 VanDerWaalsContact NH1-CD1 3.31Å; V19-W55 HydrophobicContact CG1-CE3 4.33Å; V19-W55 HydrophobicContact CG1-CZ3 3.94Å; G21-W55 CarbonylContact C-O 3.41Å; G21-W55 WeakPolarHBondContact CA-O 3.39Å; G22-W55 PolarHBondContact N-O 3.36Å
56I91.6Very high94.1Very high4 Ų465.3 Ų65.32%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-101.4135.4178.5-51.7177.5000110.5M1 K4 G22 V24 V50 S53M1-I56 HydrophobicContact CE-CD1 4.5Å; M1-I56 HydrophobicContact CG-CD1 4.2Å; K4-I56 HydrophobicContact CB-CD1 3.98Å; G22-I56 CarbonylContact O-C 3.56Å; G22-I56 VanDerWaalsContact O-CA 3.28Å; G22-I56 WeakPolarHBondContact O-CA 3.42Å; G22-I56 WeakPolarHBondContact O-CG2 3.18Å; V24-I56 HydrophobicContact CG2-CG2 4.04Å; V50-I56 HydrophobicContact CB-CB 4.39Å; V50-I56 HydrophobicContact CB-CG2 4.23Å; V50-I56 HydrophobicContact CG1-CB 4.32Å; V50-I56 HydrophobicContact CG1-CG2 3.73Å; S53-I56 WeakPolarHBondContact OG-CB 3.37Å; S53-I56 WeakPolarHBondContact OG-CG1 3.29Å; S53-I56 PolarHBondContact OG-N 3.03Å
57R91.6Very high94.1Very high99 Ų9967.7 Ų67.737%0.37434%0.344SS..EExtended strand (participates in β ladder)trans-128.2157.5174.5-60.9-67.7170.5-111.73.8110.9G22 V24 S53 D54G22-R57 PolarHBondContact O-N 3.28Å; V24-R57 PolarHBondContact N-O 3.13Å; S53-R57 PolarHBondContact O-NH1 3.31Å; D54-R57 PolarHBondContact O-NH2 3.05Å; D54-R57 VanDerWaalsContact O-NH2 3.07Å
58V95Very high94.1Very high25 Ų2568 Ų6815%0.15234%0.341CS..EExtended strand (participates in β ladder)trans-100.3131.8168.3-172.10000107.7V24 P26 L43 C46 Q47 V50V24-V58 HydrophobicContact CB-CG2 4.45Å; V24-V58 WeakPolarHBondContact O-CA 3.28Å; V24-V58 WeakPolarHBondContact O-CG1 3.23Å; P26-V58 HydrophobicContact CG-CG1 4.03Å; L43-V58 HydrophobicContact CD2-CG1 3.93Å; C46-V58 VanDerWaalsContact C-CG2 3.49Å; C46-V58 HydrophobicContact CB-CG1 3.99Å; C46-V58 HydrophobicContact CB-CG2 3.71Å; C46-V58 WeakPolarHBondContact O-CG2 3.28Å; Q47-V58 HydrophobicContact CG-CB 4.07Å; Q47-V58 HydrophobicContact CG-CG1 4.49Å; Q47-V58 HydrophobicContact CG-CG2 4.01Å; V50-V58 HydrophobicContact CG2-CG2 3.69Å
59D95.2Very high94.1Very high17 Ų1765.5 Ų65.59%0.09133%0.326CS..  trans-108.4124.9173.5-165.4-48.2000108.9I23 V24 P26 W61 H78I23-D59 HydrophobicContact CG2-CB 3.69Å; V24-D59 PolarHBondContact O-N 3.45Å; P26-D59 WeakPolarHBondContact CD-O 3.49Å; D59-W61 WeakPolarHBondContact OD1-CB 3.44Å; D59-W61 PolarHBondContact OD1-N 2.85Å; D59-H78 VanDerWaalsContact CG-CE1 3.46Å; D59-H78 IonicContact OD2-CE1 2.74Å; D59-H78 PolarHBondContact OD2-CE1 3.29Å; D59-H78 VanDerWaalsContact OD2-CE1 3.29Å; D59-H78 IonicContact OD2-ND1 3.37Å
60P95.5Very high94Very high22 Ų2265.8 Ų65.814%0.14332%0.321CS..  trans-86.9-2.1-179.436.7-36.9000114.1L43 E62 C63 Y64L43-P60 HydrophobicContact CD1-CB 4.22Å; L43-P60 HydrophobicContact CD2-CB 3.82Å; P60-E62 VanDerWaalsContact C-N 3.33Å; P60-E62 PolarHBondContact O-N 2.88Å; P60-C63 WeakPolarHBondContact O-CA 3.31Å; P60-C63 WeakPolarHBondContact O-CB 3.34Å; P60-C63 PolarHBondContact O-N 3.19Å; P60-Y64 HydrophobicContact CB-CD2 4Å; P60-Y64 HydrophobicContact CB-CE1 4.3Å; P60-Y64 HydrophobicContact CB-CE2 3.6Å; P60-Y64 HydrophobicContact CG-CD2 4.06Å; P60-Y64 HydrophobicContact CG-CE2 3.6Å; P60-Y64 PolarHBondContact O-N 2.74Å
61W96.6Very high93.7Very high52 Ų5268.6 Ų68.620%0.19734%0.339CS..G310 helixtrans-50.7-47.3-167.7175.780.9000113.7D59 C63 Y64 Q65 Q69 V74 H77D59-W61 WeakPolarHBondContact OD1-CB 3.44Å; D59-W61 PolarHBondContact OD1-N 2.85Å; W61-C63 VanDerWaalsContact C-N 3.33Å; W61-C63 PolarHBondContact O-N 2.88Å; W61-Y64 PolarHBondContact O-N 2.86Å; W61-Y64 VanDerWaalsContact O-N 3.11Å; W61-Q65 HydrophobicContact CD2-CG 4.45Å; W61-Q65 HydrophobicContact CH2-CG 4.24Å; W61-Q65 HydrophobicContact CZ2-CG 4.09Å; W61-Q65 HydrophobicContact CZ3-CG 4.48Å; W61-Q65 PolarHBondContact O-N 3.38Å; W61-Q65 PolarHBondContact O-NE2 3.39Å; W61-Q69 HydrophobicContact CH2-CG 3.97Å; W61-Q69 HydrophobicContact CZ3-CB 4.31Å; W61-Q69 HydrophobicContact CZ3-CG 4.03Å; W61-V74 HydrophobicContact CE3-CG2 4.48Å; W61-V74 HydrophobicContact CZ3-CB 4.45Å; W61-V74 HydrophobicContact CZ3-CG2 3.98Å; W61-H77 AromaticContact CD1-CE1 3.37Å; W61-H77 AromaticContact CD1-ND1 3.71Å; W61-H77 AromaticContact CD1-NE2 3.62Å; W61-H77 HydrophobicContact CD2-CB 4.09Å; W61-H77 AromaticContact CD2-CD2 3.44Å; W61-H77 VanDerWaalsContact CD2-CD2 3.44Å; W61-H77 AromaticContact CD2-CE1 3.97Å; W61-H77 AromaticContact CD2-CG 3.43Å; W61-H77 VanDerWaalsContact CD2-CG 3.43Å; W61-H77 AromaticContact CD2-ND1 3.77Å; W61-H77 AromaticContact CD2-NE2 3.83Å; W61-H77 AromaticContact CE2-CE1 3.99Å; W61-H77 AromaticContact CE2-CG 3.52Å; W61-H77 AromaticContact CE2-ND1 3.51Å; W61-H77 HydrophobicContact CE3-CB 3.98Å; W61-H77 AromaticContact CE3-CD2 3.72Å; W61-H77 AromaticContact CE3-CG 3.75Å; W61-H77 AromaticContact CG-CD2 3.51Å; W61-H77 AromaticContact CG-CE1 3.6Å; W61-H77 AromaticContact CG-CG 3.86Å; W61-H77 AromaticContact CG-ND1 3.9Å; W61-H77 AromaticContact CG-NE2 3.38Å; W61-H77 HydrophobicContact CH2-CB 3.87Å; W61-H77 HydrophobicContact CZ2-CB 3.96Å; W61-H77 AromaticContact CZ2-CG 3.95Å; W61-H77 HydrophobicContact CZ3-CB 3.88Å; W61-H77 AromaticContact NE1-CE1 3.6Å; W61-H77 AromaticContact NE1-CG 3.93Å; W61-H77 AromaticContact NE1-ND1 3.45Å; W61-H77 PolarHBondContact NE1-ND1 3.43Å
62E96.1Very high93.5Very high13 Ų1366.1 Ų66.16%0.06134%0.335CS..G310 helixtrans-64.3-37.8179.6-162.5-162.1144.800112.3S25 V27 H28 P60 Y64 Q65 Q69 V74S25-E62 PolarHBondContact OG-OE2 3.46Å; V27-E62 WeakPolarHBondContact CA-OE1 3.36Å; V27-E62 VanDerWaalsContact CG2-OE1 3.27Å; V27-E62 WeakPolarHBondContact CG2-OE1 3.48Å; H28-E62 PolarHBondContact N-OE1 3.46Å; P60-E62 VanDerWaalsContact C-N 3.33Å; P60-E62 PolarHBondContact O-N 2.88Å; E62-Y64 PolarHBondContact O-N 2.92Å; E62-Q65 PolarHBondContact O-N 3.37Å; E62-Q69 HydrophobicContact CG-CB 4.11Å; E62-Q69 HydrophobicContact CG-CG 4.33Å; E62-V74 HydrophobicContact CB-CG2 4.28Å; E62-V74 HydrophobicContact CG-CG2 3.89Å
63C94.4Very high93.4Very high10 Ų1060.3 Ų60.37%0.06831%0.306CS..G310 helixtrans-69.3-13.8176.3-72.60000113.6P26 L43 P60 W61P26-C63 PolarHBondContact O-SG 3.12Å; L43-C63 HydrophobicContact CD1-CB 3.75Å; L43-C63 HydrophobicContact CG-CB 4.38Å; P60-C63 WeakPolarHBondContact O-CA 3.31Å; P60-C63 WeakPolarHBondContact O-CB 3.34Å; P60-C63 PolarHBondContact O-N 3.19Å; W61-C63 VanDerWaalsContact C-N 3.33Å; W61-C63 PolarHBondContact O-N 2.88Å
64Y95.1Very high93.4Very high152 Ų15260.5 Ų60.560%0.59631%0.307SS*.G310 helixtrans-106.65.1179.3-65.1-18.1000113.6L43 P60 W61 E62L43-Y64 HydrophobicContact CD1-CE1 4.46Å; P60-Y64 HydrophobicContact CB-CD2 4Å; P60-Y64 HydrophobicContact CB-CE1 4.3Å; P60-Y64 HydrophobicContact CB-CE2 3.6Å; P60-Y64 HydrophobicContact CG-CD2 4.06Å; P60-Y64 HydrophobicContact CG-CE2 3.6Å; P60-Y64 PolarHBondContact O-N 2.74Å; W61-Y64 PolarHBondContact O-N 2.86Å; W61-Y64 VanDerWaalsContact O-N 3.11Å; E62-Y64 PolarHBondContact O-N 2.92Å
65Q96.3Very high93.3Very high56 Ų5656.5 Ų56.526%0.26229%0.285SS..SBendtrans-80.3152.8169.4-57.2-44.3-75.100110.2H28 W61 E62 T67 Q69H28-Q65 PolarHBondContact CD2-O 2.73Å; H28-Q65 PolarHBondContact NE2-O 2.68Å; W61-Q65 HydrophobicContact CD2-CG 4.45Å; W61-Q65 HydrophobicContact CH2-CG 4.24Å; W61-Q65 HydrophobicContact CZ2-CG 4.09Å; W61-Q65 HydrophobicContact CZ3-CG 4.48Å; W61-Q65 PolarHBondContact O-N 3.38Å; W61-Q65 PolarHBondContact O-NE2 3.39Å; E62-Q65 PolarHBondContact O-N 3.37Å; Q65-T67 WeakPolarHBondContact CB-O 3.27Å; Q65-T67 PolarHBondContact O-N 3.17Å; Q65-Q69 HydrophobicContact CB-CG 4.12Å; Q65-Q69 HydrophobicContact CG-CG 3.71Å
66D95.1Very high93.2Very high162 Ų16259.5 Ų59.587%0.86630%0.301SS*.SBendtrans-62.4-25.1177.9-58.9-45.8000112.8
67T95.4Very high93.2Very high84 Ų8461.6 Ų61.652%0.51531%0.31SS..SBendtrans-143.7162.6-177.656.20000111.6Q65 Q69Q65-T67 WeakPolarHBondContact CB-O 3.27Å; Q65-T67 PolarHBondContact O-N 3.17Å; T67-Q69 PolarHBondContact O-NE2 3.17Å
68W95.4Very high93Very high105 Ų10557.3 Ų57.340%0.39829%0.294SS..  trans-57.2137.1175.4166.773.4000112.4H28 S30 Y31 T70H28-W68 HydrophobicContact CB-CB 4.21Å; H28-W68 PolarHBondContact ND1-N 2.84Å; S30-W68 WeakPolarHBondContact OG-CB 3.37Å; S30-W68 PolarHBondContact OG-N 2.98Å; Y31-W68 AromaticContact CD2-CD1 3.76Å; Y31-W68 HydrophobicContact CD2-CD2 4.32Å; Y31-W68 AromaticContact CD2-CE2 3.9Å; Y31-W68 HydrophobicContact CD2-CG 4.22Å; Y31-W68 AromaticContact CD2-NE1 3.52Å; W68-T70 HydrophobicContact CH2-CG2 3.96Å; W68-T70 HydrophobicContact CZ3-CG2 4.27Å
69Q95.9Very high92.5Very high42 Ų4262.4 Ų62.420%0.19631%0.311CS..  trans-107.9145.3179.5-57.3-55.1-52.800111.2W61 E62 Q65 T67 V74W61-Q69 HydrophobicContact CH2-CG 3.97Å; W61-Q69 HydrophobicContact CZ3-CB 4.31Å; W61-Q69 HydrophobicContact CZ3-CG 4.03Å; E62-Q69 HydrophobicContact CG-CB 4.11Å; E62-Q69 HydrophobicContact CG-CG 4.33Å; Q65-Q69 HydrophobicContact CB-CG 4.12Å; Q65-Q69 HydrophobicContact CG-CG 3.71Å; T67-Q69 PolarHBondContact O-NE2 3.17Å; Q69-V74 HydrophobicContact CB-CG2 4.14Å
70T92.4Very high92.1Very high69 Ų6964.8 Ų64.842%0.42332%0.324SS..  trans-66.1151.5171.669.30000110.4W68 C72 S73 V74W68-T70 HydrophobicContact CH2-CG2 3.96Å; W68-T70 HydrophobicContact CZ3-CG2 4.27Å; T70-C72 PolarHBondContact O-N 3.01Å; T70-C72 VanDerWaalsContact O-N 3.1Å; T70-S73 WeakPolarHBondContact O-CB 3.43Å; T70-S73 PolarHBondContact O-N 3.35Å; T70-S73 PolarHBondContact OG1-N 3.22Å; T70-V74 PolarHBondContact O-N 3.44Å; T70-V74 VanDerWaalsContact O-N 3.1Å
71T88.8Confident91.6Very high77 Ų7765.9 Ų65.947%0.47233%0.328SS..Hα-helixtrans-56.2-29.1174-42.50000112.3L75 L173T71-L75 HydrophobicContact CG2-CD1 4.29Å; T71-L75 WeakPolarHBondContact O-CB 3.47Å; T71-L75 WeakPolarHBondContact O-CD1 3.38Å; T71-L75 WeakPolarHBondContact O-CG 3.32Å; T71-L75 PolarHBondContact O-N 2.86Å; T71-L173 HydrophobicContact CG2-CD1 3.72Å; T71-L173 HydrophobicContact CG2-CD2 3.65Å; T71-L173 HydrophobicContact CG2-CG 4.36Å
72C89.1Confident90.9Very high74 Ų7464.8 Ų64.850%0.533%0.325SS..Hα-helixtrans-64-48.9174.5-157.30000111.2T70 V74 L75 E76T70-C72 PolarHBondContact O-N 3.01Å; T70-C72 VanDerWaalsContact O-N 3.1Å; C72-V74 VanDerWaalsContact C-N 3.34Å; C72-V74 PolarHBondContact O-N 3.24Å; C72-L75 PolarHBondContact O-N 3.48Å; C72-L75 VanDerWaalsContact O-N 3.13Å; C72-E76 WeakPolarHBondContact O-CB 3.44Å; C72-E76 WeakPolarHBondContact O-CG 3.35Å; C72-E76 PolarHBondContact O-N 2.92Å; C72-E76 PolarHBondContact SG-OE1 3.1Å
73S91.2Very high90Very high29 Ų2969.5 Ų69.520%0.20335%0.346CS..Hα-helixtrans-60.7-40.5177.2-179.60000112.4T70 L75 E76 H77T70-S73 WeakPolarHBondContact O-CB 3.43Å; T70-S73 PolarHBondContact O-N 3.35Å; T70-S73 PolarHBondContact OG1-N 3.22Å; S73-L75 PolarHBondContact O-N 3.43Å; S73-E76 PolarHBondContact O-N 3.25Å; S73-H77 WeakPolarHBondContact O-CB 3.44Å; S73-H77 PolarHBondContact O-N 3.03Å
74V90.4Very high89.3Confident13 Ų1377.8 Ų77.88%0.07938%0.376CS..Hα-helixtrans-62.8-41.7174.4178.80000111.6W61 E62 Q69 T70 C72 H78W61-V74 HydrophobicContact CE3-CG2 4.48Å; W61-V74 HydrophobicContact CZ3-CB 4.45Å; W61-V74 HydrophobicContact CZ3-CG2 3.98Å; E62-V74 HydrophobicContact CB-CG2 4.28Å; E62-V74 HydrophobicContact CG-CG2 3.89Å; Q69-V74 HydrophobicContact CB-CG2 4.14Å; T70-V74 PolarHBondContact O-N 3.44Å; T70-V74 VanDerWaalsContact O-N 3.1Å; C72-V74 VanDerWaalsContact C-N 3.34Å; C72-V74 PolarHBondContact O-N 3.24Å; V74-H78 PolarHBondContact O-CD2 3.18Å; V74-H78 VanDerWaalsContact O-CD2 3.24Å; V74-H78 PolarHBondContact O-N 2.93Å; V74-H78 VanDerWaalsContact O-N 3.08Å
75L88.3Confident88.2Confident44 Ų4473 Ų7323%0.2336%0.362CS..Hα-helixtrans-68.7-37.3176.8-71167.2000112.6T71 C72 S73 R79 I171 L173T71-L75 HydrophobicContact CG2-CD1 4.29Å; T71-L75 WeakPolarHBondContact O-CB 3.47Å; T71-L75 WeakPolarHBondContact O-CD1 3.38Å; T71-L75 WeakPolarHBondContact O-CG 3.32Å; T71-L75 PolarHBondContact O-N 2.86Å; C72-L75 PolarHBondContact O-N 3.48Å; C72-L75 VanDerWaalsContact O-N 3.13Å; S73-L75 PolarHBondContact O-N 3.43Å; L75-R79 VanDerWaalsContact O-CB 3.24Å; L75-R79 WeakPolarHBondContact O-CB 3.35Å; L75-R79 PolarHBondContact O-N 3.2Å; L75-I171 HydrophobicContact CD2-CG2 3.73Å; L75-L173 HydrophobicContact CD1-CB 4.07Å; L75-L173 HydrophobicContact CD1-CD2 4.23Å; L75-L173 HydrophobicContact CD2-CB 4.2Å; L75-L173 HydrophobicContact CD2-CD1 4.38Å
76E87.3Confident87Confident101 Ų10172 Ų7247%0.47236%0.36SS..Hα-helixtrans-66-46.3174.1-75.3163.7-167.200111.3C72 S73 H78 R79 D80C72-E76 WeakPolarHBondContact O-CB 3.44Å; C72-E76 WeakPolarHBondContact O-CG 3.35Å; C72-E76 PolarHBondContact O-N 2.92Å; C72-E76 PolarHBondContact SG-OE1 3.1Å; S73-E76 PolarHBondContact O-N 3.25Å; E76-H78 PolarHBondContact O-N 2.78Å; E76-R79 WeakPolarHBondContact O-CB 3.44Å; E76-R79 PolarHBondContact O-N 2.86Å; E76-R79 VanDerWaalsContact O-N 3.12Å; E76-D80 PolarHBondContact O-N 3.39Å
77H91.1Very high85.1Confident47 Ų4765.7 Ų65.722%0.21833%0.333CS..Hα-helixtrans-54-52.8174.2167.167000111.3W61 S73 R79 D80 L81W61-H77 AromaticContact CD1-CE1 3.37Å; W61-H77 AromaticContact CD1-ND1 3.71Å; W61-H77 AromaticContact CD1-NE2 3.62Å; W61-H77 HydrophobicContact CD2-CB 4.09Å; W61-H77 AromaticContact CD2-CD2 3.44Å; W61-H77 VanDerWaalsContact CD2-CD2 3.44Å; W61-H77 AromaticContact CD2-CE1 3.97Å; W61-H77 AromaticContact CD2-CG 3.43Å; W61-H77 VanDerWaalsContact CD2-CG 3.43Å; W61-H77 AromaticContact CD2-ND1 3.77Å; W61-H77 AromaticContact CD2-NE2 3.83Å; W61-H77 AromaticContact CE2-CE1 3.99Å; W61-H77 AromaticContact CE2-CG 3.52Å; W61-H77 AromaticContact CE2-ND1 3.51Å; W61-H77 HydrophobicContact CE3-CB 3.98Å; W61-H77 AromaticContact CE3-CD2 3.72Å; W61-H77 AromaticContact CE3-CG 3.75Å; W61-H77 AromaticContact CG-CD2 3.51Å; W61-H77 AromaticContact CG-CE1 3.6Å; W61-H77 AromaticContact CG-CG 3.86Å; W61-H77 AromaticContact CG-ND1 3.9Å; W61-H77 AromaticContact CG-NE2 3.38Å; W61-H77 HydrophobicContact CH2-CB 3.87Å; W61-H77 HydrophobicContact CZ2-CB 3.96Å; W61-H77 AromaticContact CZ2-CG 3.95Å; W61-H77 HydrophobicContact CZ3-CB 3.88Å; W61-H77 AromaticContact NE1-CE1 3.6Å; W61-H77 AromaticContact NE1-CG 3.93Å; W61-H77 AromaticContact NE1-ND1 3.45Å; W61-H77 PolarHBondContact NE1-ND1 3.43Å; S73-H77 WeakPolarHBondContact O-CB 3.44Å; S73-H77 PolarHBondContact O-N 3.03Å; H77-R79 VanDerWaalsContact C-N 3.32Å; H77-R79 PolarHBondContact O-N 3.32Å; H77-D80 PolarHBondContact O-N 3.18Å; H77-L81 VanDerWaalsContact O-CB 3.29Å; H77-L81 WeakPolarHBondContact O-CB 3.23Å; H77-L81 PolarHBondContact O-N 2.78Å
78H88.4Confident82.8Confident9 Ų966.9 Ų66.94%0.04234%0.344CS..Hα-helixtrans-66.1-34.1178-64.1-40000112.3I23 D59 V74 E76 M82 I171I23-H78 HydrophobicContact CD1-CB 4.26Å; D59-H78 VanDerWaalsContact CG-CE1 3.46Å; D59-H78 IonicContact OD2-CE1 2.74Å; D59-H78 PolarHBondContact OD2-CE1 3.29Å; D59-H78 VanDerWaalsContact OD2-CE1 3.29Å; D59-H78 IonicContact OD2-ND1 3.37Å; V74-H78 PolarHBondContact O-CD2 3.18Å; V74-H78 VanDerWaalsContact O-CD2 3.24Å; V74-H78 PolarHBondContact O-N 2.93Å; V74-H78 VanDerWaalsContact O-N 3.08Å; E76-H78 PolarHBondContact O-N 2.78Å; H78-M82 WeakPolarHBondContact O-CB 3.18Å; H78-M82 VanDerWaalsContact O-CG 3.27Å; H78-M82 WeakPolarHBondContact O-CG 3.32Å; H78-M82 PolarHBondContact O-N 2.94Å; H78-I171 HydrophobicContact CB-CD1 3.6Å; H78-I171 WeakPolarHBondContact O-CD1 3.3Å
79R85.4Confident80.4Confident133 Ų13368.1 Ų68.150%0.50236%0.356SS..Hα-helixtrans-62-47.4177-179.2-167.6-64.1-131.64.6110.2L75 E76 H77 M82 K83 I171L75-R79 VanDerWaalsContact O-CB 3.24Å; L75-R79 WeakPolarHBondContact O-CB 3.35Å; L75-R79 PolarHBondContact O-N 3.2Å; E76-R79 WeakPolarHBondContact O-CB 3.44Å; E76-R79 PolarHBondContact O-N 2.86Å; E76-R79 VanDerWaalsContact O-N 3.12Å; H77-R79 VanDerWaalsContact C-N 3.32Å; H77-R79 PolarHBondContact O-N 3.32Å; R79-M82 PolarHBondContact O-N 3.24Å; R79-K83 HydrophobicContact CG-CD 4.33Å; R79-K83 WeakPolarHBondContact O-CB 3.06Å; R79-K83 VanDerWaalsContact O-CG 3.28Å; R79-K83 WeakPolarHBondContact O-CG 3.24Å; R79-K83 PolarHBondContact O-N 3.44Å; R79-I171 VanDerWaalsContact CA-CD1 3.5Å; R79-I171 HydrophobicContact CB-CD1 4.19Å; R79-I171 VanDerWaalsContact N-CD1 3.28Å
80D85.1Confident77.8Confident67 Ų6770.3 Ų70.336%0.35837%0.369SS..Hα-helixtrans-75.8-31.8-178.3-76.5-2000112.5E76 H77 K83 R84E76-D80 PolarHBondContact O-N 3.39Å; H77-D80 PolarHBondContact O-N 3.18Å; D80-K83 IonicContact OD1-NZ 3.17Å; D80-K83 PolarHBondContact OD1-NZ 3.11Å; D80-K83 VanDerWaalsContact OD1-NZ 3.17Å; D80-R84 WeakPolarHBondContact O-CB 3.44Å; D80-R84 WeakPolarHBondContact O-CD 3.35Å; D80-R84 WeakPolarHBondContact O-CG 3.49Å; D80-R84 PolarHBondContact O-N 3.45Å
81L85.8Confident75Confident45 Ų4571.5 Ų71.524%0.23638%0.38CS..Hα-helixtrans-60.2-51.4168.2178.461.4000110.7H77 R84 V85H77-L81 VanDerWaalsContact O-CB 3.29Å; H77-L81 WeakPolarHBondContact O-CB 3.23Å; H77-L81 PolarHBondContact O-N 2.78Å; L81-R84 PolarHBondContact O-N 2.84Å; L81-R84 VanDerWaalsContact O-N 3.16Å; L81-V85 HydrophobicContact CD1-CG2 4.45Å; L81-V85 WeakPolarHBondContact O-CG2 3.47Å; L81-V85 PolarHBondContact O-N 3.17Å
82M81.3Confident72.4Confident28 Ų2873.9 Ų73.914%0.13839%0.39CS..Hα-helixtrans-62.7-45178.3-70.9-55.4-61.400111.5I20 H78 R79 R84 V85 T86 L169 I171I20-M82 HydrophobicContact CD1-CE 4.16Å; H78-M82 WeakPolarHBondContact O-CB 3.18Å; H78-M82 VanDerWaalsContact O-CG 3.27Å; H78-M82 WeakPolarHBondContact O-CG 3.32Å; H78-M82 PolarHBondContact O-N 2.94Å; R79-M82 PolarHBondContact O-N 3.24Å; M82-R84 VanDerWaalsContact C-N 3.26Å; M82-R84 PolarHBondContact O-N 2.85Å; M82-V85 PolarHBondContact O-N 3.02Å; M82-T86 HydrophobicContact CE-CG2 4.39Å; M82-T86 PolarHBondContact O-N 3.48Å; M82-T86 PolarHBondContact O-OG1 3.08Å; M82-L169 HydrophobicContact CB-CD1 4.06Å; M82-L169 HydrophobicContact CB-CD2 3.7Å; M82-L169 HydrophobicContact CE-CD1 3.77Å; M82-L169 HydrophobicContact CG-CD2 4.2Å; M82-I171 HydrophobicContact CG-CD1 4.25Å
83K78.6Confident70.1Confident113 Ų11376.5 Ų76.549%0.49140%0.404SS..Hα-helixtrans-58.3-32.2173.4-78.2172.8179.5170.90113.5R79 D80 G87R79-K83 HydrophobicContact CG-CD 4.33Å; R79-K83 WeakPolarHBondContact O-CB 3.06Å; R79-K83 VanDerWaalsContact O-CG 3.28Å; R79-K83 WeakPolarHBondContact O-CG 3.24Å; R79-K83 PolarHBondContact O-N 3.44Å; D80-K83 IonicContact OD1-NZ 3.17Å; D80-K83 PolarHBondContact OD1-NZ 3.11Å; D80-K83 VanDerWaalsContact OD1-NZ 3.17Å; K83-G87 WeakPolarHBondContact O-CA 3.2Å; K83-G87 PolarHBondContact O-N 3.32Å
84R78.4Confident67.4Low184 Ų18482.4 Ų82.469%0.69443%0.433SS*.Hα-helixtrans-71.9-46.8174.6-72164.2-166.7-138.24.9110.5D80 L81 M82 G87 C88D80-R84 WeakPolarHBondContact O-CB 3.44Å; D80-R84 WeakPolarHBondContact O-CD 3.35Å; D80-R84 WeakPolarHBondContact O-CG 3.49Å; D80-R84 PolarHBondContact O-N 3.45Å; L81-R84 PolarHBondContact O-N 2.84Å; L81-R84 VanDerWaalsContact O-N 3.16Å; M82-R84 VanDerWaalsContact C-N 3.26Å; M82-R84 PolarHBondContact O-N 2.85Å; R84-G87 PolarHBondContact O-N 2.91Å; R84-C88 PolarHBondContact O-N 3.36Å; R84-C88 PolarHBondContact O-SG 3.02Å; R84-C88 VanDerWaalsContact O-SG 3.38Å
85V73.6Confident64.7Low52 Ų5287.1 Ų87.132%0.31546%0.461SS..Hα-helixtrans-64.9-43-179.91750000112.1L81 M82L81-V85 HydrophobicContact CD1-CG2 4.45Å; L81-V85 WeakPolarHBondContact O-CG2 3.47Å; L81-V85 PolarHBondContact O-N 3.17Å; M82-V85 PolarHBondContact O-N 3.02Å
86T69.7Low62Low35 Ų3590.2 Ų90.222%0.21548%0.484CS..Hα-helixtrans-87.4-21.317765.10000113.3M82 C88 I89 L90 L169M82-T86 HydrophobicContact CE-CG2 4.39Å; M82-T86 PolarHBondContact O-N 3.48Å; M82-T86 PolarHBondContact O-OG1 3.08Å; T86-C88 VanDerWaalsContact C-N 3.28Å; T86-C88 PolarHBondContact O-N 3.38Å; T86-I89 CarbonylContact O-C 3.55Å; T86-I89 WeakPolarHBondContact O-CA 3.41Å; T86-I89 VanDerWaalsContact O-CB 3.28Å; T86-I89 WeakPolarHBondContact O-CB 3.2Å; T86-I89 PolarHBondContact O-N 3.46Å; T86-L90 PolarHBondContact O-N 3.02Å; T86-L169 HydrophobicContact CG2-CD1 3.69Å
87G56.4Low59.4Low28 Ų2890.2 Ų90.229%0.28950%0.495SS..Hα-helixtrans-66.6-29.1171.400000112.4K83 R84 I89 L90 S91K83-G87 WeakPolarHBondContact O-CA 3.2Å; K83-G87 PolarHBondContact O-N 3.32Å; R84-G87 PolarHBondContact O-N 2.91Å; G87-I89 PolarHBondContact O-N 3.34Å; G87-L90 CarbonylContact O-C 3.49Å; G87-L90 PolarHBondContact O-N 3.45Å; G87-S91 WeakPolarHBondContact O-CB 3.47Å; G87-S91 PolarHBondContact O-N 3.01Å
88C47Very low56.6Low110 Ų11096 Ų9674%0.74352%0.524SS*.THydrogen-bonded Turntrans-66.4-13.3165.4-67.70000113.9R84 T86R84-C88 PolarHBondContact O-N 3.36Å; R84-C88 PolarHBondContact O-SG 3.02Å; R84-C88 VanDerWaalsContact O-SG 3.38Å; T86-C88 VanDerWaalsContact C-N 3.28Å; T86-C88 PolarHBondContact O-N 3.38Å
89I44.9Very low54Low130 Ų130101.1 Ų101.167%0.66756%0.557SS**THydrogen-bonded Turntrans-98.5-24.7173.1-53.9176.5000110.7T86 G87T86-I89 CarbonylContact O-C 3.55Å; T86-I89 WeakPolarHBondContact O-CA 3.41Å; T86-I89 VanDerWaalsContact O-CB 3.28Å; T86-I89 WeakPolarHBondContact O-CB 3.2Å; T86-I89 PolarHBondContact O-N 3.46Å; G87-I89 PolarHBondContact O-N 3.34Å
90L41.6Very low51.5Low89 Ų89100.3 Ų100.347%0.46657%0.569SS.*SBendtrans-119.229-175.9-62.8179.2000114T86 G87 N92T86-L90 PolarHBondContact O-N 3.02Å; G87-L90 CarbonylContact O-C 3.49Å; G87-L90 PolarHBondContact O-N 3.45Å; L90-N92 PolarHBondContact O-N 3.26Å
91S32.2Very low48.8Very low93 Ų93102.7 Ų102.765%0.6559%0.586SS**  trans-92.396.3176.561.90000112.3G87G87-S91 WeakPolarHBondContact O-CB 3.47Å; G87-S91 PolarHBondContact O-N 3.01Å
92N34.1Very low46.3Very low128 Ų128108.3 Ų108.368%0.68461%0.614SS**  -157.196.1122.1-158.29.4000112.1L90L90-N92 PolarHBondContact O-N 3.26Å
93V42.1Very low43.8Very low129 Ų129110.7 Ų110.778%0.78265%0.645SS**  trans-139.2117.9162.8-107.30000107.9
94N33.8Very low41.4Very low153 Ų153114.4 Ų114.482%0.81867%0.665SS**  trans100.556.8178.7-55-15000117.9
95T33Very low39.3Very low111 Ų111111 Ų11168%0.68167%0.666SS**  trans-92.3106.5130.348.80000108.8S97T95-S97 PolarHBondContact O-N 2.85Å
96P31.7Very low37Very low109 Ų109117.1 Ų117.171%0.70869%0.691SS**  trans-64119.916626.7-31.6000108.3M98P96-M98 VanDerWaalsContact C-N 3.33Å; P96-M98 PolarHBondContact O-N 2.61Å
97S33.5Very low34.9Very low101 Ų101122.4 Ų122.471%0.70671%0.713SS**  trans-72.48817959.50000110.3T95 T99T95-S97 PolarHBondContact O-N 2.85Å; S97-T99 VanDerWaalsContact C-N 3.32Å; S97-T99 PolarHBondContact O-N 2.75Å
98M32.5Very low33.3Very low168 Ų168127.9 Ų127.983%0.82873%0.732SS**  trans-73.989.6165.1-72.1-83.78500109.1P96 P100P96-M98 VanDerWaalsContact C-N 3.33Å; P96-M98 PolarHBondContact O-N 2.61Å; M98-P100 WeakPolarHBondContact O-CD 3.46Å
99T34.1Very low32.2Very low118 Ų118129 Ų12972%0.72473%0.73SS**  trans-91.3104164.646.90000110.6S97S97-T99 VanDerWaalsContact C-N 3.32Å; S97-T99 PolarHBondContact O-N 2.75Å
100P32.9Very low31.2Very low115 Ų115128.7 Ų128.775%0.74774%0.735SS**  trans-82.4111143.432-26.7000107.5M98M98-P100 WeakPolarHBondContact O-CD 3.46Å
101V28.3Very low30.4Very low118 Ų118131.9 Ų131.972%0.71575%0.747SS**  73.6102.881.51730000112.9
102I32.2Very low30.6Very low163 Ų163132.6 Ų132.684%0.83675%0.749SS**  trans50.1116.5139.1-53.4173.5000118.3
103G29.5Very low30Very low77 Ų77132.2 Ų132.279%0.79475%0.746SS**  trans-148.4125156.700000111.2
104Q27.9Very low29.1Very low192 Ų192136.7 Ų136.790%0.89775%0.75SS**  trans-82.7168.5168.6-102.8179.6-83.900110.8
105P35.1Very low28.7Very low112 Ų112136.8 Ų136.873%0.72775%0.746SS**  trans-96.2155-144.136.3-38.9000117.2
106Q25Very low28.3Very low180 Ų180137.7 Ų137.784%0.84175%0.747SS**  trans-160146.8138.1-74.4-154.4-15.800107.3
107H25.6Very low28Very low146 Ų146135.9 Ų135.968%0.67674%0.736SS**  cis-150.2-156.2-11.4-142.9-112000110.4
108E22.8Very low27.6Very low144 Ų144137.9 Ų137.967%0.67374%0.739SS**  trans-50.1160.8170.4-68.2164.1143.500116.3
109N23.3Very low27.5Very low134 Ų134136 Ų13672%0.71774%0.737SS**  cis-162.715526.4-131.2-19.2000115.7
110T23.8Very low27.6Very low123 Ų123135.3 Ų135.376%0.75574%0.735SS**  trans73.6139.7149-41.50000123.9
111Q25.6Very low27.2Very low156 Ų156136.4 Ų136.473%0.72974%0.739SS**  trans-91.9-167.6-175-73.2-81.5-15.500112.8
112P35.5Very low27.1Very low108 Ų108140 Ų14070%0.70175%0.746SS**  cis-146.4158.29.542.8-21.6000121.4
113I22.8Very low27.1Very low119 Ų119138.4 Ų138.461%0.6175%0.745SS**  33.4134.9128.3-55163.7000121.7
114Y23.1Very low27Very low223 Ų223141.4 Ų141.488%0.87575%0.749SS**  -169173.1125.8-107-68000115.3
115Q24.1Very low27.7Very low155 Ų155137.1 Ų137.172%0.72475%0.746SS**  trans-140.8-178.1-164.1-51173.1-75.100109.8
116N24.1Very low27.7Very low130 Ų130135.9 Ų135.970%0.69575%0.745SS**  cis-161.3167.512.7-158.37.2000113.2
117S25.8Very low28Very low71 Ų71136.7 Ų136.750%0.49775%0.746SS.*  trans36.6124.8143.564.10000122.9
118N24.7Very low28.7Very low143 Ų143137.8 Ų137.877%0.76576%0.755SS**  171.1113.7103.6-87.2-37.6000116.7
119V31.1Very low29.4Very low129 Ų129139 Ų13978%0.78277%0.765SS**  trans3.4164.5138.6-1230000121.9
120P36Very low29.8Very low104 Ų104135.1 Ų135.168%0.67576%0.756SS**  -126.3-179.8-81.443-28000114.6
121T25.1Very low30.3Very low137 Ų137137.6 Ų137.684%0.8476%0.757SS**  -174.9134.8128.419.40000115.3
122K25.2Very low31.1Very low195 Ų195134.8 Ų134.885%0.84875%0.75SS**  trans48.8123158.7-90.8-177.5174.5176.50122
123P32.3Very low31.1Very low128 Ų128132 Ų13283%0.83174%0.741SS**  trans-83.8143.216834.9-32.6000112.3
124T29.2Very low31.9Very low141 Ų141132.5 Ų132.587%0.86574%0.741SS**  trans-117.5111.7163.9-60.90000108.6A126T124-A126 PolarHBondContact O-N 2.73Å
125A41.4Very low32.8Very low102 Ų102124.9 Ų124.984%0.84372%0.721SS**  trans-76.7120.6179.100000111.3
126A36Very low33.7Very low85 Ų85119.8 Ų119.870%0.70270%0.698SS**  trans-170.7159154.800000112.8T124T124-A126 PolarHBondContact O-N 2.73Å
127K30.2Very low34.5Very low198 Ų198117.3 Ų117.386%0.86169%0.691SS**  trans83.256.2161.6-53.1-178.4-177.7178.60119.5
128I39.7Very low35.2Very low169 Ų169123.7 Ų123.787%0.86770%0.704SS**SBendtrans-89.8-18.8157.1-67.1177.4000112.4G130I128-G130 PolarHBondContact O-N 3.43Å
129L39.3Very low36.3Very low170 Ų170120.8 Ų120.889%0.8969%0.688SS**SBendtrans-78.6-6.7-170.3-16655.1000115.9
130G30.3Very low36.4Very low51 Ų51119.5 Ų119.553%0.52668%0.683SS.*SBendtrans-80.7-41.4-172.100000116I128I128-G130 PolarHBondContact O-N 3.43Å
131K34.5Very low36.8Very low175 Ų175119.3 Ų119.376%0.76168%0.683SS**THydrogen-bonded Turntrans-82.9-18.6-162-84.6-176171-179.40116.3
132V41.6Very low37Very low97 Ų97118.6 Ų118.659%0.58868%0.678SS**THydrogen-bonded Turntrans-75.2-37.4-176-176.30000111.5E134 S135V132-E134 VanDerWaalsContact C-N 3.34Å; V132-E134 PolarHBondContact O-N 3.04Å; V132-S135 PolarHBondContact O-N 3.31Å
133G37.2Very low37.6Very low51 Ų51120.7 Ų120.753%0.52668%0.681SS.*THydrogen-bonded Turntrans-65.1-34.3178.400000113.8S135G133-S135 VanDerWaalsContact C-N 3.29Å; G133-S135 PolarHBondContact O-N 3.19Å
134E38.3Very low37.6Very low128 Ų128119.6 Ų119.660%0.59867%0.674SS**THydrogen-bonded Turntrans-76-11.6178.8-63.3-178.1157.300114.1V132 S137V132-E134 VanDerWaalsContact C-N 3.34Å; V132-E134 PolarHBondContact O-N 3.04Å; E134-S137 PolarHBondContact O-OG 3.43Å
135S42.1Very low37.5Very low64 Ų64118.4 Ų118.445%0.44867%0.669SS.*THydrogen-bonded Turntrans-79.7-34.1176.1-160.20000111.5V132 G133 S137 R138V132-S135 PolarHBondContact O-N 3.31Å; G133-S135 VanDerWaalsContact C-N 3.29Å; G133-S135 PolarHBondContact O-N 3.19Å; S135-S137 VanDerWaalsContact C-N 3.29Å; S135-S137 PolarHBondContact O-N 3.22Å; S135-R138 PolarHBondContact O-N 3.38Å
136L44.5Very low37.3Very low48 Ų48120.6 Ų120.625%0.25167%0.671SS.*G310 helixtrans-72.3-18.4-177.3-60.6178.1000113.8R138 I139L136-R138 VanDerWaalsContact C-N 3.26Å; L136-R138 PolarHBondContact O-N 3.28Å; L136-I139 HydrophobicContact CD2-CD1 4.22Å
137S40.1Very low36.8Very low78 Ų78124.1 Ų124.155%0.54567%0.673SS.*G310 helixtrans-77.2-7.3176.449.20000114E134 S135E134-S137 PolarHBondContact O-OG 3.43Å; S135-S137 VanDerWaalsContact C-N 3.29Å; S135-S137 PolarHBondContact O-N 3.22Å
138R40.8Very low36.9Very low204 Ų204125.1 Ų125.177%0.7767%0.671SS**G310 helixtrans-99.714.5175.3-90.5-178.1-78.8-165.3-6.2114.8S135 L136 C140S135-R138 PolarHBondContact O-N 3.38Å; L136-R138 VanDerWaalsContact C-N 3.26Å; L136-R138 PolarHBondContact O-N 3.28Å; R138-C140 PolarHBondContact O-N 3.1Å
139I47.7Very low36.3Very low83 Ų83125.7 Ų125.743%0.42667%0.668SS.*  trans-78.872.2169.5-55.3177000108.8L136L136-I139 HydrophobicContact CD2-CD1 4.22Å
140C32.2Very low35.7Very low101 Ų101122.7 Ų122.768%0.68266%0.657SS**  trans-115.9131.5165.4-72.10000107.8R138 V142R138-C140 PolarHBondContact O-N 3.1Å; C140-V142 VanDerWaalsContact C-N 3.34Å; C140-V142 PolarHBondContact O-N 3.4Å
141C44.5Very low35.7Very low101 Ų101129.9 Ų129.968%0.68267%0.674SS**SBendtrans-7280.2-169.2-550000113.1
142V30.9Very low35.6Very low121 Ų121127.2 Ų127.273%0.73367%0.672SS**  trans-135.2129.5160.4-173.70000107.9C140 P144C140-V142 VanDerWaalsContact C-N 3.34Å; C140-V142 PolarHBondContact O-N 3.4Å; V142-P144 WeakPolarHBondContact O-CD 3.46Å
143R36.1Very low35.2Very low239 Ų239128.9 Ų128.990%0.90268%0.678SS**  trans-67.6109.1176.3-176.2178.4-173.5163.50.4108.8
144P33.3Very low35.3Very low106 Ų106135 Ų13569%0.68869%0.693SS**  trans-71.4143-176.8-15.932.2000110.5V142V142-P144 WeakPolarHBondContact O-CD 3.46Å
145P27.3Very low35.3Very low116 Ų116135.7 Ų135.775%0.75370%0.7SS**  trans-59.5147.8163.4-19.332.5000110.3E147P145-E147 PolarHBondContact O-N 3.03Å
146V35.9Very low35.3Very low148 Ų148137 Ų13790%0.89772%0.716SS**  trans-79.984.1-176.3-173.30000110.1
147E26.9Very low35.4Very low158 Ų158142 Ų14274%0.73874%0.743SS**  trans-92118.9164.2-72.8-166.5165.500110.8P145 F149P145-E147 PolarHBondContact O-N 3.03Å; E147-F149 PolarHBondContact O-N 3.49Å
148R30.7Very low35.4Very low219 Ų219145.9 Ų145.983%0.82676%0.756SS**  trans-84.589.5-170.7-172.1-175.4-162.6164.53.7109.6T150R148-T150 HydrophobicContact CG-CG2 4.34Å; R148-T150 PolarHBondContact O-N 3.13Å
149F28.1Very low35.3Very low181 Ų181140.1 Ų140.179%0.79476%0.761SS**  trans-6696.4171.9-73.5-80000110.8E147 F151E147-F149 PolarHBondContact O-N 3.49Å; F149-F151 PolarHBondContact O-N 3.18Å
150T26.3Very low34.8Very low107 Ų107141 Ų14166%0.65677%0.77SS**  trans-79.2104.8171.749.60000110R148R148-T150 HydrophobicContact CG-CG2 4.34Å; R148-T150 PolarHBondContact O-N 3.13Å
151F31Very low35Very low203 Ų203142.6 Ų142.689%0.8978%0.776SS**  trans-86.1114155.4-94.8-92.3000108.2F149F149-F151 PolarHBondContact O-N 3.18Å
152V31.3Very low34.6Very low118 Ų118143.8 Ų143.872%0.71577%0.773SS**  trans-87.2119.5165.6-178.30000106.3
153D34.7Very low34.7Very low133 Ų133149.1 Ų149.171%0.71178%0.78SS**  trans-93.4113.8167.8-176.523.7000108.3N155D153-N155 VanDerWaalsContact C-N 3.29Å; D153-N155 PolarHBondContact O-N 3.25Å
154E38.1Very low35Very low179 Ų179146.4 Ų146.484%0.83677%0.771SS**THydrogen-bonded Turntrans-90.414.9-165.5-147.1174.2-16300113
155N39.3Very low35.4Very low142 Ų142150 Ų15076%0.75978%0.779SS**THydrogen-bonded Turntrans-147.240.8-173.4-112-29.8000115.8D153 N157D153-N155 VanDerWaalsContact C-N 3.29Å; D153-N155 PolarHBondContact O-N 3.25Å; N155-N157 PolarHBondContact O-N 3.17Å
156A41.7Very low36.5Very low93 Ų93152.7 Ų152.777%0.76978%0.781SS**  trans-77.464.1174.400000113.2
157N45.9Very low37.5Very low153 Ų153152.5 Ų152.582%0.81877%0.774SS**  trans-129.662.6176.8-131.5-5000112N155N155-N157 PolarHBondContact O-N 3.17Å
158L39.9Very low39.3Very low158 Ų158150.7 Ų150.783%0.82777%0.765SS**  trans-147.4124.6160.6-164.459.2000112.5T160L158-T160 PolarHBondContact O-N 3.38Å
159G38.5Very low41.3Very low84 Ų84143 Ų14387%0.86674%0.74SS**  trans-73.982.6-179.800000112.9
160T37.1Very low43.7Very low102 Ų102141.2 Ų141.263%0.62673%0.728SS**  trans-136.6113.9162.1-56.30000108.8L158 M162L158-T160 PolarHBondContact O-N 3.38Å; T160-M162 PolarHBondContact O-N 3.34Å
161V37.2Very low46.3Very low133 Ų133138.5 Ų138.581%0.80671%0.709SS**  trans-67.199.3176.2176.60000108.1R163V161-R163 PolarHBondContact O-N 3.49Å
162M35.6Very low48.7Very low126 Ų126133.3 Ų133.362%0.62169%0.69SS**  trans-64.599.1172.3-70.1-67.2-75.900108.7T160 Y164T160-M162 PolarHBondContact O-N 3.34Å; M162-Y164 VanDerWaalsContact C-N 3.31Å; M162-Y164 HydrophobicContact CB-CD2 4.26Å; M162-Y164 HydrophobicContact CB-CE2 3.74Å; M162-Y164 VanDerWaalsContact O-CD2 3.28Å; M162-Y164 WeakPolarHBondContact O-CD2 3.37Å; M162-Y164 PolarHBondContact O-N 2.71Å
163R33.8Very low51.1Low233 Ų233131.6 Ų131.688%0.87968%0.676SS**  trans-67.591.3165.9-77.5-79.4-162.1100.52.1107.7V161 E165V161-R163 PolarHBondContact O-N 3.49Å; R163-E165 PolarHBondContact O-N 2.72Å; R163-E165 VanDerWaalsContact O-N 3.15Å
164Y42.3Very low53.2Low183 Ų183127.6 Ų127.672%0.71866%0.655SS**  trans-67108.7165.3-65.2-83.6000108M162 E166M162-Y164 VanDerWaalsContact C-N 3.31Å; M162-Y164 HydrophobicContact CB-CD2 4.26Å; M162-Y164 HydrophobicContact CB-CE2 3.74Å; M162-Y164 VanDerWaalsContact O-CD2 3.28Å; M162-Y164 WeakPolarHBondContact O-CD2 3.37Å; M162-Y164 PolarHBondContact O-N 2.71Å; Y164-E166 PolarHBondContact O-N 2.74Å
165E42.1Very low54Low182 Ų182122.5 Ų122.585%0.8564%0.638SS**  trans-69.9124167.8-165.9165.7-150.300107.6R163 I167R163-E165 PolarHBondContact O-N 2.72Å; R163-E165 VanDerWaalsContact O-N 3.15Å; E165-I167 PolarHBondContact O-N 3.16Å
166E50Low54.8Low171 Ų171118 Ų11880%0.79963%0.625SS**  trans-68103.7-174.4-172.3178.3176.200109.7Y164 E168Y164-E166 PolarHBondContact O-N 2.74Å; E166-E168 VanDerWaalsContact C-N 3.34Å; E166-E168 PolarHBondContact O-N 3.48Å
167I56Low55Low145 Ų145117.1 Ų117.174%0.74461%0.614SS**  trans-71.292.5177.9-55.8179.2000108.3E165 L169E165-I167 PolarHBondContact O-N 3.16Å; I167-L169 PolarHBondContact O-N 2.94Å
168E66.3Low54.7Low120 Ų120115.2 Ų115.256%0.56160%0.603SS**  trans-63.6105.5-178.1-164.4-155.8139.800111.2E166 R170E166-E168 VanDerWaalsContact C-N 3.34Å; E166-E168 PolarHBondContact O-N 3.48Å; E168-R170 HydrophobicContact CG-CG 4.43Å; E168-R170 PolarHBondContact O-N 3.33Å; E168-R170 WeakPolarHBondContact OE1-CG 3.4Å; E168-R170 IonicContact OE1-CZ 3.56Å; E168-R170 IonicContact OE1-NE 3.43Å; E168-R170 PolarHBondContact OE1-NE 2.88Å; E168-R170 IonicContact OE1-NH2 2.68Å; E168-R170 PolarHBondContact OE1-NH2 2.93Å; E168-R170 IonicContact OE2-CZ 3.29Å; E168-R170 IonicContact OE2-NE 3.35Å; E168-R170 PolarHBondContact OE2-NE 3.31Å; E168-R170 IonicContact OE2-NH2 3.19Å; E168-R170 PolarHBondContact OE2-NH2 2.84Å
169L73.1Confident55Low56 Ų56110.8 Ų110.829%0.29358%0.58SS.*  trans-77.6111178.9-167.9151.4000110.6I20 M82 T86 I167 I171I20-L169 HydrophobicContact CD1-CD1 4.23Å; M82-L169 HydrophobicContact CB-CD1 4.06Å; M82-L169 HydrophobicContact CB-CD2 3.7Å; M82-L169 HydrophobicContact CE-CD1 3.77Å; M82-L169 HydrophobicContact CG-CD2 4.2Å; T86-L169 HydrophobicContact CG2-CD1 3.69Å; I167-L169 PolarHBondContact O-N 2.94Å; L169-I171 HydrophobicContact CD2-CG1 4.11Å
170R76.6Confident55.2Low144 Ų144107.8 Ų107.854%0.54354%0.544SS..  trans-105.1132178.9-64.3-177177-169.94.8111.8E168E168-R170 HydrophobicContact CG-CG 4.43Å; E168-R170 PolarHBondContact O-N 3.33Å; E168-R170 WeakPolarHBondContact OE1-CG 3.4Å; E168-R170 IonicContact OE1-CZ 3.56Å; E168-R170 IonicContact OE1-NE 3.43Å; E168-R170 PolarHBondContact OE1-NE 2.88Å; E168-R170 IonicContact OE1-NH2 2.68Å; E168-R170 PolarHBondContact OE1-NH2 2.93Å; E168-R170 IonicContact OE2-CZ 3.29Å; E168-R170 IonicContact OE2-NE 3.35Å; E168-R170 PolarHBondContact OE2-NE 3.31Å; E168-R170 IonicContact OE2-NH2 3.19Å; E168-R170 PolarHBondContact OE2-NH2 2.84Å
171I81.9Confident55.5Low51 Ų51110.7 Ų110.726%0.26255%0.551SS.*  trans-101124.2168.7-59.2-168.2000108.6L75 H78 R79 M82 L169L75-I171 HydrophobicContact CD2-CG2 3.73Å; H78-I171 HydrophobicContact CB-CD1 3.6Å; H78-I171 WeakPolarHBondContact O-CD1 3.3Å; R79-I171 VanDerWaalsContact CA-CD1 3.5Å; R79-I171 HydrophobicContact CB-CD1 4.19Å; R79-I171 VanDerWaalsContact N-CD1 3.28Å; M82-I171 HydrophobicContact CG-CD1 4.25Å; L169-I171 HydrophobicContact CD2-CG1 4.11Å
172L81.9Confident55.8Low93 Ų93108.6 Ų108.649%0.48754%0.542SS..  trans-110.6123.1-178.8-58178.9000109.8L11L11-L172 HydrophobicContact CD1-CD1 3.95Å; L11-L172 HydrophobicContact CD2-CD1 3.96Å
173L81.6Confident56.3Low82 Ų82105.5 Ų105.543%0.42953%0.525SS..  trans-73.8131.9170.4-175.763.8000109.5T71 L75 C175T71-L173 HydrophobicContact CG2-CD1 3.72Å; T71-L173 HydrophobicContact CG2-CD2 3.65Å; T71-L173 HydrophobicContact CG2-CG 4.36Å; L75-L173 HydrophobicContact CD1-CB 4.07Å; L75-L173 HydrophobicContact CD1-CD2 4.23Å; L75-L173 HydrophobicContact CD2-CB 4.2Å; L75-L173 HydrophobicContact CD2-CD1 4.38Å; L173-C175 WeakPolarHBondContact CD2-SG 3.29Å
174L77.7Confident56.4Low50 Ų50102.3 Ų102.326%0.26254%0.537SS..  trans-100.593.4171.1-83.2159.7000108.9K4 A7 G176 L179K4-L174 HydrophobicContact CD-CD1 3.81Å; A7-L174 HydrophobicContact CB-CD1 3.64Å; A7-L174 HydrophobicContact CB-CD2 3.46Å; A7-L174 VanDerWaalsContact CB-CD2 3.46Å; A7-L174 HydrophobicContact CB-CG 4.19Å; L174-G176 PolarHBondContact O-N 3.01Å; L174-L179 HydrophobicContact CD2-CD2 4.22Å
175C55.8Low57.1Low71 Ų7198.3 Ų98.348%0.4853%0.527SS..  trans-77.9110177.9-54.20000110.7L173L173-C175 WeakPolarHBondContact CD2-SG 3.29Å
176G56Low57.9Low48 Ų4893.8 Ų93.850%0.49551%0.51SS..THydrogen-bonded Turntrans58.8-161.4161.700000117L174L174-G176 PolarHBondContact O-N 3.01Å
177S46.2Very low58.3Low75 Ų7589.6 Ų89.652%0.52449%0.494SS..THydrogen-bonded Turntrans-73.9-34.4170.928.50000112.3L179 L180S177-L179 VanDerWaalsContact C-N 3.34Å; S177-L179 PolarHBondContact O-N 3.1Å; S177-L180 VanDerWaalsContact O-CB 3.23Å; S177-L180 WeakPolarHBondContact O-CB 3.27Å; S177-L180 PolarHBondContact O-N 3.08Å
178D40Very low58.4Low112 Ų11286.3 Ų86.360%0.59948%0.48SS*.Hα-helixtrans-76.4-27.8-155-35.4-30.9000111.5L180 E181D178-L180 PolarHBondContact O-N 3.46Å; D178-E181 PolarHBondContact O-N 3.32Å
179L45.2Very low57.9Low66 Ų6684.2 Ų84.235%0.34648%0.475SS..Hα-helixtrans-66.5-22.1170.7-155.676.1000112.4L174 S177 S182 F183L174-L179 HydrophobicContact CD2-CD2 4.22Å; S177-L179 VanDerWaalsContact C-N 3.34Å; S177-L179 PolarHBondContact O-N 3.1Å; L179-S182 WeakPolarHBondContact O-CB 3.41Å; L179-S182 PolarHBondContact O-N 3.3Å; L179-F183 HydrophobicContact CD2-CE2 3.91Å; L179-F183 HydrophobicContact CD2-CZ 3.96Å; L179-F183 HydrophobicContact CG-CE2 3.83Å; L179-F183 HydrophobicContact CG-CZ 3.9Å; L179-F183 WeakPolarHBondContact O-CD2 3.47Å; L179-F183 WeakPolarHBondContact O-CE2 3.11Å; L179-F183 WeakPolarHBondContact O-CG 3.35Å
180L43.8Very low56.9Low21 Ų2186.1 Ų86.111%0.1149%0.487CS..Hα-helixtrans-79.2-30.5177.6-59.8176.5000113I3 R6 S177 D178 S182 F183 C184I3-L180 HydrophobicContact CB-CD1 4.26Å; I3-L180 HydrophobicContact CD1-CD1 4.43Å; I3-L180 HydrophobicContact CG1-CD1 3.89Å; I3-L180 HydrophobicContact CG2-CD1 4.03Å; I3-L180 HydrophobicContact CG2-CD2 4.37Å; I3-L180 HydrophobicContact CG2-CG 4.5Å; R6-L180 HydrophobicContact CB-CD2 4.39Å; S177-L180 VanDerWaalsContact O-CB 3.23Å; S177-L180 WeakPolarHBondContact O-CB 3.27Å; S177-L180 PolarHBondContact O-N 3.08Å; D178-L180 PolarHBondContact O-N 3.46Å; L180-S182 PolarHBondContact O-N 3.12Å; L180-F183 HydrophobicContact CD2-CD2 4.19Å; L180-F183 PolarHBondContact O-N 3.01Å; L180-C184 PolarHBondContact O-N 3.26Å
181E42.3Very low55.5Low162 Ų16281.9 Ų81.976%0.75748%0.483SS*.Hα-helixtrans-65.9-23.5172.4-63.2-167.6158.800111.1D178 F183D178-E181 PolarHBondContact O-N 3.32Å; E181-F183 VanDerWaalsContact C-N 3.28Å; E181-F183 PolarHBondContact O-N 3.32Å
182S44.4Very low53.5Low89 Ų8984.3 Ų84.362%0.62250%0.5SS*.THydrogen-bonded Turntrans-78.8-2.8170.9-52.70000114.4L179 L180L179-S182 WeakPolarHBondContact O-CB 3.41Å; L179-S182 PolarHBondContact O-N 3.3Å; L180-S182 PolarHBondContact O-N 3.12Å
183F44.4Very low51.1Low62 Ų6283.6 Ų83.627%0.27250%0.501SS..THydrogen-bonded Turntrans-118-0-177.6-63.5-37.6000114.2Y10 L179 L180 E181Y10-F183 AromaticContact CD1-CD1 3.77Å; Y10-F183 HydrophobicContact CD1-CD1 3.77Å; Y10-F183 AromaticContact CD1-CE1 3.86Å; Y10-F183 HydrophobicContact CD1-CE1 3.86Å; Y10-F183 HydrophobicContact CD1-CG 4.16Å; Y10-F183 HydrophobicContact CD1-CZ 4.34Å; Y10-F183 HydrophobicContact CD2-CB 3.76Å; Y10-F183 AromaticContact CD2-CD1 3.85Å; Y10-F183 HydrophobicContact CD2-CD1 3.85Å; Y10-F183 AromaticContact CD2-CG 3.96Å; Y10-F183 HydrophobicContact CD2-CG 3.96Å; Y10-F183 AromaticContact CE1-CD1 3.46Å; Y10-F183 HydrophobicContact CE1-CD1 3.46Å; Y10-F183 VanDerWaalsContact CE1-CD1 3.46Å; Y10-F183 AromaticContact CE1-CE1 3.42Å; Y10-F183 HydrophobicContact CE1-CE1 3.42Å; Y10-F183 VanDerWaalsContact CE1-CE1 3.42Å; Y10-F183 HydrophobicContact CE1-CG 4.3Å; Y10-F183 HydrophobicContact CE1-CZ 4.23Å; Y10-F183 HydrophobicContact CE2-CB 4.04Å; Y10-F183 AromaticContact CE2-CD1 3.53Å; Y10-F183 HydrophobicContact CE2-CD1 3.53Å; Y10-F183 HydrophobicContact CE2-CE1 4.33Å; Y10-F183 HydrophobicContact CE2-CG 4.08Å; Y10-F183 HydrophobicContact CG-CB 4.17Å; Y10-F183 AromaticContact CG-CD1 3.98Å; Y10-F183 HydrophobicContact CG-CD1 3.98Å; Y10-F183 HydrophobicContact CG-CG 4.01Å; Y10-F183 AromaticContact CZ-CD1 3.33Å; Y10-F183 AromaticContact CZ-CE1 3.69Å; L179-F183 HydrophobicContact CD2-CE2 3.91Å; L179-F183 HydrophobicContact CD2-CZ 3.96Å; L179-F183 HydrophobicContact CG-CE2 3.83Å; L179-F183 HydrophobicContact CG-CZ 3.9Å; L179-F183 WeakPolarHBondContact O-CD2 3.47Å; L179-F183 WeakPolarHBondContact O-CE2 3.11Å; L179-F183 WeakPolarHBondContact O-CG 3.35Å; L180-F183 HydrophobicContact CD2-CD2 4.19Å; L180-F183 PolarHBondContact O-N 3.01Å; E181-F183 VanDerWaalsContact C-N 3.28Å; E181-F183 PolarHBondContact O-N 3.32Å
184C36Very low48.3Very low165 Ų16583.7 Ų83.7100%1.11551%0.507SS*.  trans-970174.4-73.80000110.9L180L180-C184 PolarHBondContact O-N 3.26Å

Retrieved 184 of 184 residues in 42.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).