A0A060WAN7_ONCMY Loading...

Ankyrin repeat domain 37

AlphaFold DB , UniProt , Accession A0A060WAN7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 170 aa.

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

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
1M36.5Very low48.9Very low225 Ų225116.8 Ų116.8100%1.10861%0.612SS**  092.40-170.8161.8-17800106.1L3M1-L3 PolarHBondContact O-N 3.23Å; M1-L3 VanDerWaalsContact O-N 3.09Å
2F36.8Very low49.5Very low190 Ų190109.8 Ų109.883%0.83358%0.579SS**  trans-71.595.8-178.1-86.9-87.7000108.7L4F2-L4 HydrophobicContact CB-CD1 4.49Å; F2-L4 HydrophobicContact CB-CG 4.23Å; F2-L4 HydrophobicContact CD1-CD1 4.27Å; F2-L4 HydrophobicContact CD1-CD2 4.19Å; F2-L4 HydrophobicContact CD1-CG 4.07Å; F2-L4 PolarHBondContact O-N 3.49Å; F2-L4 VanDerWaalsContact O-N 3.16Å
3L36.9Very low50.2Low158 Ų158104 Ų10483%0.82755%0.548SS*.  trans-79.877.5161.8-67.7172.5000106.7M1 D5M1-L3 PolarHBondContact O-N 3.23Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.3Å; L3-D5 VanDerWaalsContact O-N 3.07Å
4L39.6Very low50.8Low105 Ų105100.5 Ų100.555%0.5554%0.536SS..  trans-77.492.6172.5-73170.3000108.3F2 S6F2-L4 HydrophobicContact CB-CD1 4.49Å; F2-L4 HydrophobicContact CB-CG 4.23Å; F2-L4 HydrophobicContact CD1-CD1 4.27Å; F2-L4 HydrophobicContact CD1-CD2 4.19Å; F2-L4 HydrophobicContact CD1-CG 4.07Å; F2-L4 PolarHBondContact O-N 3.49Å; F2-L4 VanDerWaalsContact O-N 3.16Å; L4-S6 PolarHBondContact O-N 3.47Å
5D52.3Low51.1Low94 Ų94102.3 Ų102.350%0.50355%0.546SS..  trans38.868.5138.5-131.6-79.5000115.7L3 D7 S8 Q9L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.3Å; L3-D5 VanDerWaalsContact O-N 3.07Å; D5-D7 PolarHBondContact O-N 3.46Å; D5-S8 WeakPolarHBondContact OD1-CA 3.3Å; D5-S8 WeakPolarHBondContact OD1-CB 3.4Å; D5-S8 PolarHBondContact OD1-N 2.69Å; D5-Q9 WeakPolarHBondContact O-CG 3.3Å; D5-Q9 PolarHBondContact O-N 3.04Å; D5-Q9 PolarHBondContact O-NE2 3.43Å
6S53.5Low51.4Low80 Ų8099.3 Ų99.356%0.55953%0.529SS*.Hα-helixtrans-64.8-26.5168.233.60000111.7L4 L10L4-S6 PolarHBondContact O-N 3.47Å; S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 WeakPolarHBondContact O-CD1 3.38Å; S6-L10 WeakPolarHBondContact O-CG 3.38Å; S6-L10 PolarHBondContact O-N 3.25Å; S6-L10 VanDerWaalsContact O-N 3.08Å
7D55.7Low51.6Low114 Ų114102.3 Ų102.361%0.6154%0.537SS*.Hα-helixtrans-74.3-47.1-179.6-67.4-53.2000112D5 Q9 L10 D11D5-D7 PolarHBondContact O-N 3.46Å; D7-Q9 VanDerWaalsContact C-N 3.32Å; D7-Q9 PolarHBondContact O-N 3.17Å; D7-L10 PolarHBondContact O-N 3.06Å; D7-D11 WeakPolarHBondContact O-CB 3.44Å; D7-D11 VanDerWaalsContact O-CG 3.3Å; D7-D11 PolarHBondContact O-N 3.36Å
8S57.3Low51.5Low51 Ų51106.4 Ų106.436%0.35755%0.553SS.*Hα-helixtrans-65.4-35.2175.6-176.90000112D5 D11 C12D5-S8 WeakPolarHBondContact OD1-CA 3.3Å; D5-S8 WeakPolarHBondContact OD1-CB 3.4Å; D5-S8 PolarHBondContact OD1-N 2.69Å; S8-D11 PolarHBondContact O-N 3.28Å; S8-C12 PolarHBondContact O-N 3.07Å; S8-C12 PolarHBondContact O-SG 3.47Å
9Q53.7Low51.3Low62 Ų62103.6 Ų103.629%0.2955%0.553SS.*Hα-helixtrans-67-39.4175.7-74.9176.956.800112.4D5 D7 C12 I13D5-Q9 WeakPolarHBondContact O-CG 3.3Å; D5-Q9 PolarHBondContact O-N 3.04Å; D5-Q9 PolarHBondContact O-NE2 3.43Å; D7-Q9 VanDerWaalsContact C-N 3.32Å; D7-Q9 PolarHBondContact O-N 3.17Å; Q9-C12 PolarHBondContact O-N 3.46Å; Q9-I13 WeakPolarHBondContact O-CG1 3.4Å; Q9-I13 PolarHBondContact O-N 3.25Å
10L55.8Low51Low106 Ų106102 Ų10256%0.55556%0.562SS**Hα-helixtrans-67.8-38.4175.1-74.6168.3000111.7S6 D7 C12 I13 S14S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 WeakPolarHBondContact O-CD1 3.38Å; S6-L10 WeakPolarHBondContact O-CG 3.38Å; S6-L10 PolarHBondContact O-N 3.25Å; S6-L10 VanDerWaalsContact O-N 3.08Å; D7-L10 PolarHBondContact O-N 3.06Å; L10-C12 PolarHBondContact O-N 2.76Å; L10-I13 PolarHBondContact O-N 2.87Å; L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.98Å
11D59.5Low51.3Low100 Ų100104.7 Ų104.754%0.53558%0.576SS.*Hα-helixtrans-61.5-31.8177.7-77.9-21000112.6D7 S8 S14 N15D7-D11 WeakPolarHBondContact O-CB 3.44Å; D7-D11 VanDerWaalsContact O-CG 3.3Å; D7-D11 PolarHBondContact O-N 3.36Å; S8-D11 PolarHBondContact O-N 3.28Å; D11-S14 WeakPolarHBondContact CA-OG 3.4Å; D11-S14 PolarHBondContact O-OG 3.23Å; D11-N15 VanDerWaalsContact O-CB 3.3Å; D11-N15 WeakPolarHBondContact O-CB 3.23Å; D11-N15 PolarHBondContact O-N 2.9Å
12C56.4Low52.5Low32 Ų3295.8 Ų95.822%0.21654%0.538CS..Hα-helixtrans-77-33.5179.9-61.70000112S8 Q9 L10 L16 Q42 C45S8-C12 PolarHBondContact O-N 3.07Å; S8-C12 PolarHBondContact O-SG 3.47Å; Q9-C12 PolarHBondContact O-N 3.46Å; L10-C12 PolarHBondContact O-N 2.76Å; C12-L16 VanDerWaalsContact O-CB 3.24Å; C12-L16 WeakPolarHBondContact O-CB 3.43Å; C12-L16 PolarHBondContact O-N 3.44Å; C12-Q42 VanDerWaalsContact CB-OE1 3.24Å; C12-Q42 PolarHBondContact SG-NE2 3.25Å; C12-Q42 PolarHBondContact SG-OE1 3.36Å; C12-C45 HydrophobicContact CB-CB 4.5Å; C12-C45 WeakPolarHBondContact CB-SG 3.44Å
13I58.7Low53.9Low35 Ų3588.3 Ų88.318%0.17951%0.508CS..Hα-helixtrans-72.5-39.7172.9-61.3167.8000110.1Q9 L10 L16 F17 F44Q9-I13 WeakPolarHBondContact O-CG1 3.4Å; Q9-I13 PolarHBondContact O-N 3.25Å; L10-I13 PolarHBondContact O-N 2.87Å; I13-L16 PolarHBondContact O-N 3.17Å; I13-F17 PolarHBondContact O-N 3.43Å; I13-F44 HydrophobicContact CD1-CD1 4.16Å; I13-F44 HydrophobicContact CD1-CE1 3.88Å
14S58.5Low55.4Low55 Ų5583.8 Ų83.839%0.38548%0.484SS..Hα-helixtrans-70.3-44.117961.10000112.4L10 D11 L16 F17 E18L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.98Å; D11-S14 WeakPolarHBondContact CA-OG 3.4Å; D11-S14 PolarHBondContact O-OG 3.23Å; S14-L16 PolarHBondContact O-N 2.9Å; S14-F17 PolarHBondContact O-N 3.45Å; S14-E18 PolarHBondContact O-N 3.23Å; S14-E18 VanDerWaalsContact O-N 3.13Å
15N55.9Low57.2Low128 Ų12882.4 Ų82.468%0.68448%0.483SS*.Hα-helixtrans-60.4-31.1172.6-104.722.6000112.4D11D11-N15 VanDerWaalsContact O-CB 3.3Å; D11-N15 WeakPolarHBondContact O-CB 3.23Å; D11-N15 PolarHBondContact O-N 2.9Å
16L55.8Low58.5Low53 Ų5381.3 Ų81.328%0.27748%0.483SS..Hα-helixtrans-74.9-31.8176.6-175.767.9000112.2C12 I13 S14 P33 W48 L49C12-L16 VanDerWaalsContact O-CB 3.24Å; C12-L16 WeakPolarHBondContact O-CB 3.43Å; C12-L16 PolarHBondContact O-N 3.44Å; I13-L16 PolarHBondContact O-N 3.17Å; S14-L16 PolarHBondContact O-N 2.9Å; L16-P33 HydrophobicContact CD1-CB 3.57Å; L16-P33 HydrophobicContact CD1-CG 3.61Å; L16-W48 HydrophobicContact CD2-CZ3 4.14Å; L16-L49 HydrophobicContact CD2-CD1 4.33Å; L16-L49 HydrophobicContact CD2-CD2 3.4Å; L16-L49 HydrophobicContact CD2-CG 3.95Å
17F53.7Low59.9Low151 Ų15180.4 Ų80.466%0.66247%0.472SS*.Hα-helixtrans-82-25-177.8-124.4-88.1000114.1I13 S14 G19 W48I13-F17 PolarHBondContact O-N 3.43Å; S14-F17 PolarHBondContact O-N 3.45Å; F17-G19 PolarHBondContact O-N 2.98Å; F17-W48 HydrophobicContact CD2-CH2 4.29Å; F17-W48 AromaticContact CE2-CH2 3.78Å; F17-W48 HydrophobicContact CE2-CH2 3.78Å; F17-W48 HydrophobicContact CE2-CZ2 4.2Å
18E50.7Low61.2Low176 Ų17681.6 Ų81.682%0.82248%0.483SS*.SBendtrans-68.9-20.3176.2-74.8-165.2150.400113S14S14-E18 PolarHBondContact O-N 3.23Å; S14-E18 VanDerWaalsContact O-N 3.13Å
19G46.8Very low62.3Low53 Ų5383.9 Ų83.955%0.54649%0.491SS..SBendtrans-99.583.7173.400000111.4F17 D21F17-G19 PolarHBondContact O-N 2.98Å; G19-D21 PolarHBondContact O-N 3.29Å; G19-D21 VanDerWaalsContact O-N 3.08Å
20G45.8Very low63.8Low72 Ų7281.3 Ų81.374%0.74248%0.481SS*.  trans-28.1107.9-178.300000116.1
21D57Low65.2Low158 Ų15877.5 Ų77.585%0.84546%0.46SS*.SBendtrans48.569.5146.5-140.5-10.6000118.1G19G19-D21 PolarHBondContact O-N 3.29Å; G19-D21 VanDerWaalsContact O-N 3.08Å
22A61.2Low66.6Low38 Ų3872.7 Ų72.731%0.31444%0.435SS..  trans-150.991149.400000110.1N24 S25A22-N24 PolarHBondContact O-N 2.79Å; A22-S25 WeakPolarHBondContact CB-OG 3.14Å; A22-S25 WeakPolarHBondContact O-CB 3.08Å; A22-S25 PolarHBondContact O-N 3.38Å
23V66.9Low67.9Low33 Ų3372 Ų7220%0.243%0.429CS..THydrogen-bonded Turntrans-49.5-20.7170-77.80000113.9P33 L49 A54V23-P33 WeakPolarHBondContact O-CD 3.5Å; V23-L49 HydrophobicContact CG1-CD2 4.25Å; V23-A54 HydrophobicContact CB-CB 4.37Å
24N67.9Low69.3Low64 Ų6470.3 Ų70.334%0.34242%0.421SS..THydrogen-bonded Turntrans-112.54.8176.7-65.5-48.3000114.2A22 S26 G53 A54 D55 Q58A22-N24 PolarHBondContact O-N 2.79Å; N24-S26 PolarHBondContact O-N 3.12Å; N24-G53 PolarHBondContact ND2-O 3.07Å; N24-A54 VanDerWaalsContact OD1-CA 3.32Å; N24-A54 WeakPolarHBondContact OD1-CA 3.28Å; N24-D55 PolarHBondContact OD1-N 2.91Å; N24-Q58 PolarHBondContact O-NE2 3.36Å
25S77.2Confident70.8Confident75 Ų7567.7 Ų67.752%0.52440%0.403SS..  trans-64.8122.2177.9-99.90000110.4A22 P33A22-S25 WeakPolarHBondContact CB-OG 3.14Å; A22-S25 WeakPolarHBondContact O-CB 3.08Å; A22-S25 PolarHBondContact O-N 3.38Å; S25-P33 WeakPolarHBondContact O-CD 3.44Å
26S81.1Confident72.2Confident71 Ų7165.3 Ų65.350%0.49739%0.389SS..  trans-88.3140.8177.452.40000111.7N24 G30 Q31N24-S26 PolarHBondContact O-N 3.12Å; S26-G30 VanDerWaalsContact CB-C 3.45Å; S26-G30 WeakPolarHBondContact CB-O 3.35Å; S26-Q31 CarbonylContact C-O 3.58Å; S26-Q31 WeakPolarHBondContact CA-O 3.33Å
27N81.7Confident73.7Confident61 Ų6163 Ų6333%0.32638%0.378SS..  trans-70.9-176.5167.371.78.3000111.6L29 G30 Q31N27-L29 PolarHBondContact O-N 3.3Å; N27-L29 WeakPolarHBondContact OD1-CA 3.42Å; N27-L29 WeakPolarHBondContact OD1-CB 3.34Å; N27-L29 PolarHBondContact OD1-N 3.37Å; N27-G30 PolarHBondContact O-N 2.72Å; N27-G30 PolarHBondContact OD1-N 3.22Å; N27-Q31 PolarHBondContact N-O 3.15Å; N27-Q31 PolarHBondContact ND2-OE1 3.06Å; N27-Q31 WeakPolarHBondContact OD1-CB 3.35Å; N27-Q31 PolarHBondContact OD1-N 2.9Å
28V83.3Confident75.4Confident140 Ų14055.8 Ų55.885%0.84835%0.347SS*.THydrogen-bonded Turntrans-58.8-18.2178.3-62.20000114.4N61V28-N61 PolarHBondContact O-ND2 2.82Å
29L81.3Confident77.1Confident99 Ų9950.6 Ų50.652%0.51833%0.329SS..THydrogen-bonded Turntrans-94.35.3176.4-58177.7000112.7N27 Q31 N61N27-L29 PolarHBondContact O-N 3.3Å; N27-L29 WeakPolarHBondContact OD1-CA 3.42Å; N27-L29 WeakPolarHBondContact OD1-CB 3.34Å; N27-L29 PolarHBondContact OD1-N 3.37Å; L29-Q31 HydrophobicContact CB-CG 4Å; L29-Q31 PolarHBondContact O-N 2.93Å; L29-N61 VanDerWaalsContact O-CB 3.29Å; L29-N61 WeakPolarHBondContact O-CB 3.32Å; L29-N61 PolarHBondContact O-N 2.92Å; L29-N61 PolarHBondContact O-ND2 3.28Å
30G85.4Confident78.8Confident8 Ų851.8 Ų51.88%0.08233%0.329CS..SBendtrans78.74.4-175.500000113.4S26 N27 D60 N61S26-G30 VanDerWaalsContact CB-C 3.45Å; S26-G30 WeakPolarHBondContact CB-O 3.35Å; N27-G30 PolarHBondContact O-N 2.72Å; N27-G30 PolarHBondContact OD1-N 3.22Å; G30-D60 WeakPolarHBondContact O-CA 3.45Å; G30-N61 WeakPolarHBondContact CA-OD1 3.24Å
31Q85.2Confident80.7Confident25 Ų2549.5 Ų49.512%0.11731%0.305CS..  trans-84122.2-174.1-57.3176.7-68.500110.9S26 N27 L29 H35 L36 D60S26-Q31 CarbonylContact C-O 3.58Å; S26-Q31 WeakPolarHBondContact CA-O 3.33Å; N27-Q31 PolarHBondContact N-O 3.15Å; N27-Q31 PolarHBondContact ND2-OE1 3.06Å; N27-Q31 WeakPolarHBondContact OD1-CB 3.35Å; N27-Q31 PolarHBondContact OD1-N 2.9Å; L29-Q31 HydrophobicContact CB-CG 4Å; L29-Q31 PolarHBondContact O-N 2.93Å; Q31-H35 HydrophobicContact CB-CB 3.88Å; Q31-H35 HydrophobicContact CG-CB 4.38Å; Q31-L36 HydrophobicContact CB-CD2 4.37Å; Q31-D60 HydrophobicContact CG-CB 3.94Å
32S87.5Confident82Confident0 Ų044.2 Ų44.20%028%0.275CS..  trans-77.7166169.470.30000112.1A34 H35 L36 Q58S32-A34 PolarHBondContact O-N 3.49Å; S32-A34 VanDerWaalsContact O-N 3.11Å; S32-H35 PolarHBondContact N-ND1 3.46Å; S32-H35 VanDerWaalsContact N-ND1 3.17Å; S32-H35 VanDerWaalsContact O-CB 3.31Å; S32-H35 WeakPolarHBondContact O-CB 3.49Å; S32-H35 PolarHBondContact O-N 2.9Å; S32-H35 PolarHBondContact OG-ND1 2.97Å; S32-L36 PolarHBondContact O-N 3.49Å; S32-Q58 PolarHBondContact OG-OE1 3.38Å
33P84.7Confident83.2Confident16 Ų1643.1 Ų43.110%0.10427%0.266CS..Hα-helixtrans-50-36.1173.4-31.337.3000113.7L16 V23 S25 H35 L36 A37 L49L16-P33 HydrophobicContact CD1-CB 3.57Å; L16-P33 HydrophobicContact CD1-CG 3.61Å; V23-P33 WeakPolarHBondContact O-CD 3.5Å; S25-P33 WeakPolarHBondContact O-CD 3.44Å; P33-H35 VanDerWaalsContact C-N 3.32Å; P33-H35 PolarHBondContact O-N 2.88Å; P33-L36 PolarHBondContact O-N 2.84Å; P33-A37 WeakPolarHBondContact O-CB 3.32Å; P33-A37 PolarHBondContact O-N 3.43Å; P33-L49 HydrophobicContact CB-CD1 3.71Å; P33-L49 HydrophobicContact CB-CD2 3.65Å; P33-L49 HydrophobicContact CB-CG 4.35Å; P33-L49 HydrophobicContact CG-CD2 4.48Å
34A88.3Confident84.1Confident0 Ų046.7 Ų46.70%028%0.279CS..Hα-helixtrans-63.2-36.3177.100000112.4S32 A38 L46 A54 P66S32-A34 PolarHBondContact O-N 3.49Å; S32-A34 VanDerWaalsContact O-N 3.11Å; A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.91Å; A34-L46 HydrophobicContact CB-CD1 3.88Å; A34-L46 WeakPolarHBondContact O-CD1 3.4Å; A34-A54 HydrophobicContact CB-CB 4.45Å; A34-P66 HydrophobicContact CB-CB 4.38Å; A34-P66 HydrophobicContact CB-CG 3.88Å
35H89.2Confident84.8Confident0 Ų043.9 Ų43.90%027%0.265CS..Hα-helixtrans-65-42.4174.1-67.982.6000111.7Q31 S32 P33 C39 Q58 E64 K69Q31-H35 HydrophobicContact CB-CB 3.88Å; Q31-H35 HydrophobicContact CG-CB 4.38Å; S32-H35 PolarHBondContact N-ND1 3.46Å; S32-H35 VanDerWaalsContact N-ND1 3.17Å; S32-H35 VanDerWaalsContact O-CB 3.31Å; S32-H35 WeakPolarHBondContact O-CB 3.49Å; S32-H35 PolarHBondContact O-N 2.9Å; S32-H35 PolarHBondContact OG-ND1 2.97Å; P33-H35 VanDerWaalsContact C-N 3.32Å; P33-H35 PolarHBondContact O-N 2.88Å; H35-C39 VanDerWaalsContact O-CB 3.25Å; H35-C39 WeakPolarHBondContact O-CB 3.42Å; H35-C39 PolarHBondContact O-N 3.35Å; H35-Q58 PolarHBondContact CE1-O 2.97Å; H35-Q58 PolarHBondContact NE2-O 3.32Å; H35-Q58 VanDerWaalsContact NE2-O 3.08Å; H35-E64 PolarHBondContact CD2-O 2.82Å; H35-E64 PolarHBondContact NE2-O 3.13Å; H35-K69 HydrophobicContact CB-CG 4.29Å
36L85.9Confident85.2Confident78 Ų7840.3 Ų40.341%0.40824%0.24SC..Hα-helixtrans-67.5-47-178.9-60.1177.5000110.6Q31 S32 P33 A38 C39 S40Q31-L36 HydrophobicContact CB-CD2 4.37Å; S32-L36 PolarHBondContact O-N 3.49Å; P33-L36 PolarHBondContact O-N 2.84Å; L36-A38 VanDerWaalsContact C-N 3.35Å; L36-A38 PolarHBondContact O-N 3.19Å; L36-C39 PolarHBondContact O-N 3.17Å; L36-S40 WeakPolarHBondContact O-CB 3.14Å; L36-S40 PolarHBondContact O-N 3.18Å; L36-S40 PolarHBondContact O-OG 2.82Å; L36-S40 VanDerWaalsContact O-OG 3.08Å
37A86.6Confident85.5Confident5 Ų539.7 Ų39.74%0.04123%0.231CC..Hα-helixtrans-59.6-43.9176.200000112.1P33 S40 G41 Q42 C45 L46 L49P33-A37 WeakPolarHBondContact O-CB 3.32Å; P33-A37 PolarHBondContact O-N 3.43Å; A37-S40 PolarHBondContact O-N 3.35Å; A37-G41 PolarHBondContact O-N 3.46Å; A37-G41 VanDerWaalsContact O-N 3.15Å; A37-Q42 PolarHBondContact O-N 3.25Å; A37-C45 HydrophobicContact CB-CB 4.25Å; A37-L46 HydrophobicContact CB-CB 4.05Å; A37-L46 HydrophobicContact CB-CD1 4.36Å; A37-L49 HydrophobicContact CB-CD1 4Å
38A89.2Confident85.7Confident0 Ų040.5 Ų40.50%023%0.229CC..Hα-helixtrans-65.8-38.3176.700000112.9A34 L36 S40 G41 L46 P66 K69 A70A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.91Å; L36-A38 VanDerWaalsContact C-N 3.35Å; L36-A38 PolarHBondContact O-N 3.19Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-G41 PolarHBondContact O-N 3.01Å; A38-L46 HydrophobicContact CB-CD1 4.43Å; A38-L46 HydrophobicContact CB-CD2 4.05Å; A38-P66 HydrophobicContact CB-CB 4.19Å; A38-P66 VanDerWaalsContact CB-O 3.24Å; A38-P66 WeakPolarHBondContact CB-O 3.38Å; A38-K69 HydrophobicContact CB-CB 4.14Å; A38-A70 HydrophobicContact CB-CB 4.18Å
39C87.4Confident85.8Confident67 Ų6734 Ų3445%0.45319%0.19SC..Hα-helixtrans-67.6-35.5176.4-168.80000112.2H35 L36 G41 K69 A73H35-C39 VanDerWaalsContact O-CB 3.25Å; H35-C39 WeakPolarHBondContact O-CB 3.42Å; H35-C39 PolarHBondContact O-N 3.35Å; L36-C39 PolarHBondContact O-N 3.17Å; C39-G41 VanDerWaalsContact C-N 3.27Å; C39-K69 HydrophobicContact CB-CB 4.13Å; C39-A73 WeakPolarHBondContact O-CB 3.49Å
40S82.9Confident86Confident78 Ų7830.3 Ų30.355%0.54517%0.171SC..THydrogen-bonded Turntrans-80.7-5.7177.5-59.20000113.4L36 A37 A38 Q42L36-S40 WeakPolarHBondContact O-CB 3.14Å; L36-S40 PolarHBondContact O-N 3.18Å; L36-S40 PolarHBondContact O-OG 2.82Å; L36-S40 VanDerWaalsContact O-OG 3.08Å; A37-S40 PolarHBondContact O-N 3.35Å; A38-S40 VanDerWaalsContact C-N 3.34Å; S40-Q42 VanDerWaalsContact C-N 3.29Å; S40-Q42 PolarHBondContact O-N 3.22Å
41G84.1Confident86Confident24 Ų2436.9 Ų36.925%0.24720%0.199CC..THydrogen-bonded Turntrans7318-177.300000114.3A37 A38 C39 A43 C78A37-G41 PolarHBondContact O-N 3.46Å; A37-G41 VanDerWaalsContact O-N 3.15Å; A38-G41 PolarHBondContact O-N 3.01Å; C39-G41 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 3.2Å; G41-A43 VanDerWaalsContact O-N 3.16Å; G41-C78 VanDerWaalsContact CA-SG 3.55Å
42Q84.9Confident85.9Confident46 Ų4638.4 Ų38.422%0.21521%0.21CC..  trans-88.779-174.8-66169.93.200111.5C12 A37 S40 F44 C45 L46C12-Q42 VanDerWaalsContact CB-OE1 3.24Å; C12-Q42 PolarHBondContact SG-NE2 3.25Å; C12-Q42 PolarHBondContact SG-OE1 3.36Å; A37-Q42 PolarHBondContact O-N 3.25Å; S40-Q42 VanDerWaalsContact C-N 3.29Å; S40-Q42 PolarHBondContact O-N 3.22Å; Q42-F44 VanDerWaalsContact C-N 3.29Å; Q42-F44 PolarHBondContact O-N 3.05Å; Q42-C45 HydrophobicContact CB-CB 4.03Å; Q42-C45 PolarHBondContact O-N 3.31Å; Q42-L46 WeakPolarHBondContact O-CB 3.31Å; Q42-L46 PolarHBondContact O-N 3.19Å
43A86.8Confident85.7Confident15 Ų1540.7 Ų40.712%0.12423%0.233CC..Hα-helixtrans-58.6-37-17500000113.5G41 L46 L47 E77 V81G41-A43 PolarHBondContact O-N 3.2Å; G41-A43 VanDerWaalsContact O-N 3.16Å; A43-L46 PolarHBondContact O-N 3.16Å; A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 PolarHBondContact O-N 2.89Å; A43-E77 HydrophobicContact CB-CB 3.64Å; A43-V81 HydrophobicContact CB-CG2 4.12Å
44F85.3Confident85.7Confident108 Ų10840.3 Ų40.347%0.47423%0.232SC..Hα-helixtrans-67-45178.9-172.4-96.9000112.6I13 Q42 L46 L47 W48I13-F44 HydrophobicContact CD1-CD1 4.16Å; I13-F44 HydrophobicContact CD1-CE1 3.88Å; Q42-F44 VanDerWaalsContact C-N 3.29Å; Q42-F44 PolarHBondContact O-N 3.05Å; F44-L46 VanDerWaalsContact C-N 3.31Å; F44-L46 PolarHBondContact O-N 3.49Å; F44-L47 PolarHBondContact O-N 2.92Å; F44-W48 PolarHBondContact O-N 3.35Å
45C82.6Confident85.6Confident6 Ų644 Ų444%0.04125%0.252CS..Hα-helixtrans-63.8-40.9176.5-65.50000110.9C12 A37 Q42 W48 L49C12-C45 HydrophobicContact CB-CB 4.5Å; C12-C45 WeakPolarHBondContact CB-SG 3.44Å; A37-C45 HydrophobicContact CB-CB 4.25Å; Q42-C45 HydrophobicContact CB-CB 4.03Å; Q42-C45 PolarHBondContact O-N 3.31Å; C45-W48 PolarHBondContact O-N 2.92Å; C45-L49 WeakPolarHBondContact O-CB 3.38Å; C45-L49 VanDerWaalsContact O-CG 3.31Å; C45-L49 WeakPolarHBondContact O-CG 3.34Å; C45-L49 PolarHBondContact O-N 3.41Å
46L86.9Confident85.6Confident0 Ų044.4 Ų44.40%026%0.255CS..Hα-helixtrans-61.4-45.1174.9-174.960.4000111.8A34 A37 A38 Q42 A43 F44 W48 L49 L50 C78 V81 L82A34-L46 HydrophobicContact CB-CD1 3.88Å; A34-L46 WeakPolarHBondContact O-CD1 3.4Å; A37-L46 HydrophobicContact CB-CB 4.05Å; A37-L46 HydrophobicContact CB-CD1 4.36Å; A38-L46 HydrophobicContact CB-CD1 4.43Å; A38-L46 HydrophobicContact CB-CD2 4.05Å; Q42-L46 WeakPolarHBondContact O-CB 3.31Å; Q42-L46 PolarHBondContact O-N 3.19Å; A43-L46 PolarHBondContact O-N 3.16Å; F44-L46 VanDerWaalsContact C-N 3.31Å; F44-L46 PolarHBondContact O-N 3.49Å; L46-W48 PolarHBondContact O-N 3.4Å; L46-L49 WeakPolarHBondContact O-CB 3.47Å; L46-L49 PolarHBondContact O-N 3.29Å; L46-L50 HydrophobicContact CD1-CD1 4.39Å; L46-L50 HydrophobicContact CG-CD1 4.16Å; L46-L50 VanDerWaalsContact O-CG 3.24Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.46Å; L46-C78 HydrophobicContact CD2-CB 3.84Å; L46-V81 HydrophobicContact CB-CG1 4.44Å; L46-V81 HydrophobicContact CD2-CG1 4.36Å; L46-V81 HydrophobicContact CG-CG1 4.14Å; L46-L82 HydrophobicContact CD1-CD2 4.38Å; L46-L82 HydrophobicContact CD2-CD1 4.02Å; L46-L82 HydrophobicContact CD2-CD2 4.19Å; L46-L82 HydrophobicContact CD2-CG 3.79Å; L46-L82 HydrophobicContact CG-CD2 4.5Å
47L87.1Confident85.8Confident58 Ų5842.6 Ų42.630%0.30425%0.246SC..Hα-helixtrans-60.6-46.5177.5177.563.6000111.3A43 F44 L49 L50 Q51 V81A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 PolarHBondContact O-N 2.89Å; F44-L47 PolarHBondContact O-N 2.92Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-L49 PolarHBondContact O-N 3.04Å; L47-L50 PolarHBondContact O-N 3.33Å; L47-Q51 HydrophobicContact CD1-CG 4.38Å; L47-Q51 WeakPolarHBondContact O-CB 3.49Å; L47-Q51 WeakPolarHBondContact O-CG 3.33Å; L47-Q51 PolarHBondContact O-N 2.9Å; L47-V81 HydrophobicContact CB-CG1 3.75Å; L47-V81 HydrophobicContact CB-CG2 4.28Å; L47-V81 HydrophobicContact CD1-CG1 4.08Å
48W85Confident85.9Confident77 Ų7744.3 Ų44.329%0.29225%0.253SS..Hα-helixtrans-63-41.3179.1-171.689.8000111.9L16 F17 F44 C45 L46 L50 Q51 T52L16-W48 HydrophobicContact CD2-CZ3 4.14Å; F17-W48 HydrophobicContact CD2-CH2 4.29Å; F17-W48 AromaticContact CE2-CH2 3.78Å; F17-W48 HydrophobicContact CE2-CH2 3.78Å; F17-W48 HydrophobicContact CE2-CZ2 4.2Å; F44-W48 PolarHBondContact O-N 3.35Å; C45-W48 PolarHBondContact O-N 2.92Å; L46-W48 PolarHBondContact O-N 3.4Å; W48-L50 PolarHBondContact O-N 2.94Å; W48-Q51 PolarHBondContact O-N 3.04Å; W48-T52 HydrophobicContact CD2-CG2 4Å; W48-T52 HydrophobicContact CE3-CG2 4.01Å; W48-T52 HydrophobicContact CH2-CG2 3.71Å; W48-T52 HydrophobicContact CZ2-CG2 3.7Å; W48-T52 HydrophobicContact CZ3-CG2 3.87Å; W48-T52 WeakPolarHBondContact O-CG2 3.22Å; W48-T52 PolarHBondContact O-N 3.17Å; W48-T52 PolarHBondContact O-OG1 2.82Å
49L85Confident86Confident4 Ų448.9 Ų48.92%0.02127%0.274CS..Hα-helixtrans-58.7-46173.4-82.1167.2000112.2L16 V23 P33 A37 C45 L46 L47 Q51 T52 G53 A54L16-L49 HydrophobicContact CD2-CD1 4.33Å; L16-L49 HydrophobicContact CD2-CD2 3.4Å; L16-L49 HydrophobicContact CD2-CG 3.95Å; V23-L49 HydrophobicContact CG1-CD2 4.25Å; P33-L49 HydrophobicContact CB-CD1 3.71Å; P33-L49 HydrophobicContact CB-CD2 3.65Å; P33-L49 HydrophobicContact CB-CG 4.35Å; P33-L49 HydrophobicContact CG-CD2 4.48Å; A37-L49 HydrophobicContact CB-CD1 4Å; C45-L49 WeakPolarHBondContact O-CB 3.38Å; C45-L49 VanDerWaalsContact O-CG 3.31Å; C45-L49 WeakPolarHBondContact O-CG 3.34Å; C45-L49 PolarHBondContact O-N 3.41Å; L46-L49 WeakPolarHBondContact O-CB 3.47Å; L46-L49 PolarHBondContact O-N 3.29Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-L49 PolarHBondContact O-N 3.04Å; L49-Q51 VanDerWaalsContact C-N 3.35Å; L49-Q51 PolarHBondContact O-N 3.39Å; L49-T52 VanDerWaalsContact CA-OG1 3.32Å; L49-T52 WeakPolarHBondContact CA-OG1 3.45Å; L49-T52 PolarHBondContact O-N 2.83Å; L49-T52 PolarHBondContact O-OG1 3.1Å; L49-G53 PolarHBondContact O-N 2.86Å; L49-A54 HydrophobicContact CB-CB 4.05Å; L49-A54 WeakPolarHBondContact O-CB 3.45Å; L49-A54 PolarHBondContact O-N 3.4Å
50L86.5Confident86.2Confident22 Ų2246.1 Ų46.112%0.11526%0.255CS..Hα-helixtrans-66.4-38.4178.7-66171.7000111.7L46 L47 W48 T52 G53 A54 A56 V81 L82 S85L46-L50 HydrophobicContact CD1-CD1 4.39Å; L46-L50 HydrophobicContact CG-CD1 4.16Å; L46-L50 VanDerWaalsContact O-CG 3.24Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.46Å; L47-L50 PolarHBondContact O-N 3.33Å; W48-L50 PolarHBondContact O-N 2.94Å; L50-T52 VanDerWaalsContact C-N 3.28Å; L50-T52 PolarHBondContact O-N 3.37Å; L50-G53 PolarHBondContact O-N 3.36Å; L50-A54 HydrophobicContact CD2-CB 4.46Å; L50-A56 HydrophobicContact CD2-CB 3.57Å; L50-V81 HydrophobicContact CD1-CG1 3.91Å; L50-L82 HydrophobicContact CD1-CD2 3.88Å; L50-S85 VanDerWaalsContact CD1-OG 3.31Å; L50-S85 WeakPolarHBondContact CD1-OG 3.29Å
51Q85.5Confident86.6Confident145 Ų14547.3 Ų47.368%0.67826%0.255SS*.Hα-helixtrans-66.4-28.3174.9-74.2178.7-12.800113.3L47 W48 L49 G53L47-Q51 HydrophobicContact CD1-CG 4.38Å; L47-Q51 WeakPolarHBondContact O-CB 3.49Å; L47-Q51 WeakPolarHBondContact O-CG 3.33Å; L47-Q51 PolarHBondContact O-N 2.9Å; W48-Q51 PolarHBondContact O-N 3.04Å; L49-Q51 VanDerWaalsContact C-N 3.35Å; L49-Q51 PolarHBondContact O-N 3.39Å; Q51-G53 VanDerWaalsContact C-N 3.26Å
52T82.8Confident86.8Confident58 Ų5850.7 Ų50.736%0.35627%0.267SS..THydrogen-bonded Turntrans-85.53.5176.548.90000113.4W48 L49 L50W48-T52 HydrophobicContact CD2-CG2 4Å; W48-T52 HydrophobicContact CE3-CG2 4.01Å; W48-T52 HydrophobicContact CH2-CG2 3.71Å; W48-T52 HydrophobicContact CZ2-CG2 3.7Å; W48-T52 HydrophobicContact CZ3-CG2 3.87Å; W48-T52 WeakPolarHBondContact O-CG2 3.22Å; W48-T52 PolarHBondContact O-N 3.17Å; W48-T52 PolarHBondContact O-OG1 2.82Å; L49-T52 VanDerWaalsContact CA-OG1 3.32Å; L49-T52 WeakPolarHBondContact CA-OG1 3.45Å; L49-T52 PolarHBondContact O-N 2.83Å; L49-T52 PolarHBondContact O-OG1 3.1Å; L50-T52 VanDerWaalsContact C-N 3.28Å; L50-T52 PolarHBondContact O-N 3.37Å
53G82.4Confident87.1Confident47 Ų4748.6 Ų48.649%0.48526%0.259SS..THydrogen-bonded Turntrans9619.517500000114.6N24 L49 L50 Q51N24-G53 PolarHBondContact ND2-O 3.07Å; L49-G53 PolarHBondContact O-N 2.86Å; L50-G53 PolarHBondContact O-N 3.36Å; Q51-G53 VanDerWaalsContact C-N 3.26Å
54A86.1Confident87.4Confident9 Ų948.1 Ų48.17%0.07425%0.254CS..  trans-64.7140.1167.500000110.8V23 N24 A34 L49 L50 A56V23-A54 HydrophobicContact CB-CB 4.37Å; N24-A54 VanDerWaalsContact OD1-CA 3.32Å; N24-A54 WeakPolarHBondContact OD1-CA 3.28Å; A34-A54 HydrophobicContact CB-CB 4.45Å; L49-A54 HydrophobicContact CB-CB 4.05Å; L49-A54 WeakPolarHBondContact O-CB 3.45Å; L49-A54 PolarHBondContact O-N 3.4Å; L50-A54 HydrophobicContact CD2-CB 4.46Å; A54-A56 PolarHBondContact O-N 2.87Å
55D86.2Confident87.8Confident77 Ų7743 Ų4341%0.41223%0.231SC..  trans-79.7112.7177.2-177.72.5000111N24 N57 Q58N24-D55 PolarHBondContact OD1-N 2.91Å; D55-N57 PolarHBondContact O-N 2.89Å; D55-N57 WeakPolarHBondContact OD1-CA 3.39Å; D55-N57 WeakPolarHBondContact OD1-CB 3.43Å; D55-N57 PolarHBondContact OD1-N 3.38Å; D55-Q58 HydrophobicContact CB-CB 4.07Å; D55-Q58 PolarHBondContact O-N 3.06Å; D55-Q58 PolarHBondContact OD1-N 3.31Å
56A88.3Confident88.3Confident8 Ų842.7 Ų42.77%0.06623%0.229CC..THydrogen-bonded Turntrans-64.4-16.7177.300000113.9L50 A54 P66 L82 A87L50-A56 HydrophobicContact CD2-CB 3.57Å; A54-A56 PolarHBondContact O-N 2.87Å; A56-P66 WeakPolarHBondContact O-CD 3.31Å; A56-L82 HydrophobicContact CB-CD2 4.15Å; A56-A87 HydrophobicContact CB-CB 3.96Å
57N89.7Confident88.6Confident41 Ų4142.8 Ų42.822%0.21923%0.23CC..THydrogen-bonded Turntrans-111.72-175.9-57.1-57.2000113D55 Q59 Q88 L91D55-N57 PolarHBondContact O-N 2.89Å; D55-N57 WeakPolarHBondContact OD1-CA 3.39Å; D55-N57 WeakPolarHBondContact OD1-CB 3.43Å; D55-N57 PolarHBondContact OD1-N 3.38Å; N57-Q59 PolarHBondContact O-N 3.06Å; N57-Q88 WeakPolarHBondContact OD1-CB 3.34Å; N57-Q88 PolarHBondContact OD1-N 3.47Å; N57-L91 HydrophobicContact CB-CD1 4.09Å
58Q88.9Confident88.9Confident40 Ų4040.1 Ų40.119%0.18722%0.216CC..  trans-55135.1176.2-172.1171.99.700109.4N24 S32 H35 D55 T65 P66N24-Q58 PolarHBondContact O-NE2 3.36Å; S32-Q58 PolarHBondContact OG-OE1 3.38Å; H35-Q58 PolarHBondContact CE1-O 2.97Å; H35-Q58 PolarHBondContact NE2-O 3.32Å; H35-Q58 VanDerWaalsContact NE2-O 3.08Å; D55-Q58 HydrophobicContact CB-CB 4.07Å; D55-Q58 PolarHBondContact O-N 3.06Å; D55-Q58 PolarHBondContact OD1-N 3.31Å; Q58-T65 WeakPolarHBondContact O-CA 3.42Å; Q58-P66 VanDerWaalsContact O-CD 3.31Å; Q58-P66 WeakPolarHBondContact O-CD 3.5Å
59Q91.8Very high89.3Confident96 Ų9637.3 Ų37.345%0.44921%0.206SC..  trans-101.3138.3177.1-70.8-177-61.800110.2N57 G63 E64 T65 C92N57-Q59 PolarHBondContact O-N 3.06Å; Q59-G63 PolarHBondContact NE2-O 2.95Å; Q59-E64 WeakPolarHBondContact CA-O 3.43Å; Q59-T65 HydrophobicContact CG-CG2 3.76Å; Q59-C92 PolarHBondContact NE2-O 2.89Å
60D91.1Very high89.6Confident10 Ų1037.1 Ų37.15%0.05321%0.205CC..  trans-77.3-178.1168.576.96.3000111.9G30 Q31 N62 G63 E64 K69G30-D60 WeakPolarHBondContact O-CA 3.45Å; Q31-D60 HydrophobicContact CG-CB 3.94Å; D60-N62 PolarHBondContact O-N 3.17Å; D60-N62 WeakPolarHBondContact OD1-CA 3.32Å; D60-N62 WeakPolarHBondContact OD1-CB 3.34Å; D60-N62 PolarHBondContact OD1-N 3.18Å; D60-G63 PolarHBondContact O-N 3.08Å; D60-G63 PolarHBondContact OD1-N 3.08Å; D60-E64 PolarHBondContact N-O 3.49Å; D60-E64 WeakPolarHBondContact OD1-CB 3.07Å; D60-E64 PolarHBondContact OD1-N 3.35Å; D60-K69 WeakPolarHBondContact OD2-CE 3.38Å; D60-K69 IonicContact OD2-NZ 2.82Å; D60-K69 PolarHBondContact OD2-NZ 3.39Å
61N91.6Very high89.8Confident102 Ų10236.1 Ų36.155%0.54520%0.199SC..THydrogen-bonded Turntrans-62.1-18.1-178.9-68.7-8.4000113.5V28 L29 G30 G63 N94V28-N61 PolarHBondContact O-ND2 2.82Å; L29-N61 VanDerWaalsContact O-CB 3.29Å; L29-N61 WeakPolarHBondContact O-CB 3.32Å; L29-N61 PolarHBondContact O-N 2.92Å; L29-N61 PolarHBondContact O-ND2 3.28Å; G30-N61 WeakPolarHBondContact CA-OD1 3.24Å; N61-G63 VanDerWaalsContact C-N 3.34Å; N61-N94 PolarHBondContact O-ND2 3.02Å; N61-N94 VanDerWaalsContact O-ND2 3.1Å
62N89.4Confident90Very high95 Ų9531.5 Ų31.551%0.50818%0.177SC..THydrogen-bonded Turntrans-93.76176.4-62.9-19000112.2D60 E64 N94D60-N62 PolarHBondContact O-N 3.17Å; D60-N62 WeakPolarHBondContact OD1-CA 3.32Å; D60-N62 WeakPolarHBondContact OD1-CB 3.34Å; D60-N62 PolarHBondContact OD1-N 3.18Å; N62-E64 HydrophobicContact CB-CG 3.94Å; N62-E64 PolarHBondContact O-N 3.41Å; N62-N94 WeakPolarHBondContact CA-ND2 3.46Å; N62-N94 VanDerWaalsContact O-CB 3.28Å; N62-N94 WeakPolarHBondContact O-CB 3.06Å; N62-N94 PolarHBondContact O-N 3.06Å; N62-N94 PolarHBondContact O-ND2 2.61Å
63G91.3Very high90.3Very high3 Ų330.6 Ų30.63%0.03118%0.176CC..SBendtrans73.69.1-174.100000112.9Q59 D60 N61 N93 N94Q59-G63 PolarHBondContact NE2-O 2.95Å; D60-G63 PolarHBondContact O-N 3.08Å; D60-G63 PolarHBondContact OD1-N 3.08Å; N61-G63 VanDerWaalsContact C-N 3.34Å; G63-N93 WeakPolarHBondContact O-CA 3.16Å; G63-N94 WeakPolarHBondContact CA-OD1 3.22Å
64E92.5Very high90.6Very high4 Ų429.4 Ų29.42%0.01916%0.163CC..  trans-83.8132.9-176.8-58.2-166.2147.800109.8H35 Q59 D60 N62 H68 K69 K72 N93H35-E64 PolarHBondContact CD2-O 2.82Å; H35-E64 PolarHBondContact NE2-O 3.13Å; Q59-E64 WeakPolarHBondContact CA-O 3.43Å; D60-E64 PolarHBondContact N-O 3.49Å; D60-E64 WeakPolarHBondContact OD1-CB 3.07Å; D60-E64 PolarHBondContact OD1-N 3.35Å; N62-E64 HydrophobicContact CB-CG 3.94Å; N62-E64 PolarHBondContact O-N 3.41Å; E64-H68 HydrophobicContact CB-CB 3.91Å; E64-H68 HydrophobicContact CG-CB 4.38Å; E64-K69 WeakPolarHBondContact OE2-CE 3.24Å; E64-K69 IonicContact OE2-NZ 2.61Å; E64-K69 PolarHBondContact OE2-NZ 3.47Å; E64-K72 VanDerWaalsContact OE1-CE 3.22Å; E64-K72 WeakPolarHBondContact OE1-CE 3.37Å; E64-K72 IonicContact OE1-NZ 3.07Å; E64-K72 PolarHBondContact OE1-NZ 3.22Å; E64-K72 IonicContact OE2-NZ 3.43Å; E64-K72 PolarHBondContact OE2-NZ 3.08Å; E64-N93 HydrophobicContact CG-CB 3.83Å; E64-N93 PolarHBondContact OE1-ND2 3.1Å
65T93.6Very high90.8Very high1 Ų129.8 Ų29.81%0.00617%0.165CC..  trans-90.1168.6172.768.40000111.1Q58 Q59 M67 H68 K69 L91Q58-T65 WeakPolarHBondContact O-CA 3.42Å; Q59-T65 HydrophobicContact CG-CG2 3.76Å; T65-M67 PolarHBondContact O-N 2.93Å; T65-M67 VanDerWaalsContact O-N 3.08Å; T65-M67 PolarHBondContact OG1-N 3.34Å; T65-H68 PolarHBondContact N-ND1 3.45Å; T65-H68 VanDerWaalsContact N-ND1 3.13Å; T65-H68 WeakPolarHBondContact O-CB 3.29Å; T65-H68 PolarHBondContact O-N 2.88Å; T65-H68 PolarHBondContact OG1-ND1 3.35Å; T65-K69 PolarHBondContact O-N 3.49Å; T65-L91 HydrophobicContact CG2-CB 4.24Å; T65-L91 HydrophobicContact CG2-CD1 3.71Å
66P92.6Very high90.9Very high0 Ų029.2 Ų29.20%016%0.162CC..Hα-helixtrans-51-33.8171-2936000112.9A34 A38 A56 Q58 K69 A70 L82A34-P66 HydrophobicContact CB-CB 4.38Å; A34-P66 HydrophobicContact CB-CG 3.88Å; A38-P66 HydrophobicContact CB-CB 4.19Å; A38-P66 VanDerWaalsContact CB-O 3.24Å; A38-P66 WeakPolarHBondContact CB-O 3.38Å; A56-P66 WeakPolarHBondContact O-CD 3.31Å; Q58-P66 VanDerWaalsContact O-CD 3.31Å; Q58-P66 WeakPolarHBondContact O-CD 3.5Å; P66-K69 PolarHBondContact O-N 2.76Å; P66-A70 PolarHBondContact O-N 2.91Å; P66-L82 HydrophobicContact CB-CD1 4.21Å; P66-L82 HydrophobicContact CB-CD2 3.94Å
67M93.4Very high91Very high2 Ų234.4 Ų34.41%0.0119%0.185CC..Hα-helixtrans-66.9-37.8176.2-173.2159.6-81.900113.6T65 K69 A70 A71 I79 L82 V83 A87 L89 A99 L115T65-M67 PolarHBondContact O-N 2.93Å; T65-M67 VanDerWaalsContact O-N 3.08Å; T65-M67 PolarHBondContact OG1-N 3.34Å; M67-K69 VanDerWaalsContact C-N 3.29Å; M67-K69 PolarHBondContact O-N 3.24Å; M67-A70 PolarHBondContact O-N 3Å; M67-A71 VanDerWaalsContact O-CB 3.32Å; M67-A71 WeakPolarHBondContact O-CB 3.46Å; M67-A71 PolarHBondContact O-N 2.91Å; M67-I79 HydrophobicContact CE-CG2 4.47Å; M67-L82 HydrophobicContact CB-CD1 4.01Å; M67-L82 HydrophobicContact CE-CB 3.58Å; M67-L82 HydrophobicContact CE-CD1 4.33Å; M67-V83 HydrophobicContact CE-CG2 3.9Å; M67-A87 HydrophobicContact CE-CB 4.15Å; M67-L89 HydrophobicContact CE-CD2 3.4Å; M67-L89 VanDerWaalsContact CE-CD2 3.4Å; M67-L89 HydrophobicContact SD-CB 4.42Å; M67-L89 HydrophobicContact SD-CD2 3.23Å; M67-L89 WeakPolarHBondContact SD-CD2 2.9Å; M67-L89 HydrophobicContact SD-CG 4.4Å; M67-A99 HydrophobicContact CB-CB 4.45Å; M67-A99 HydrophobicContact CG-CB 3.73Å; M67-L115 HydrophobicContact CE-CD2 4.31Å; M67-L115 HydrophobicContact CG-CD2 4.37Å; M67-L115 HydrophobicContact SD-CD2 3.81Å
68H93.2Very high91Very high1 Ų132.4 Ų32.41%0.00517%0.174CC..Hα-helixtrans-63.3-39173.5-65.983.1000110.6E64 T65 A71 K72 L91 N93 R97 L102E64-H68 HydrophobicContact CB-CB 3.91Å; E64-H68 HydrophobicContact CG-CB 4.38Å; T65-H68 PolarHBondContact N-ND1 3.45Å; T65-H68 VanDerWaalsContact N-ND1 3.13Å; T65-H68 WeakPolarHBondContact O-CB 3.29Å; T65-H68 PolarHBondContact O-N 2.88Å; T65-H68 PolarHBondContact OG1-ND1 3.35Å; H68-A71 PolarHBondContact O-N 3.08Å; H68-K72 WeakPolarHBondContact O-CG 3.47Å; H68-K72 PolarHBondContact O-N 2.9Å; H68-L91 PolarHBondContact CE1-O 3.45Å; H68-L91 PolarHBondContact NE2-O 3.3Å; H68-N93 PolarHBondContact NE2-N 3.32Å; H68-R97 PolarHBondContact NE2-O 2.85Å; H68-L102 HydrophobicContact CB-CD1 3.82Å; H68-L102 VanDerWaalsContact CD2-CD1 3.5Å; H68-L102 WeakPolarHBondContact CD2-CD1 3.31Å
69K92.6Very high91.1Very high19 Ų1930.5 Ų30.58%0.08317%0.165CC..Hα-helixtrans-66.2-45.3175.7-59-61-177.7-171.20111.9H35 A38 C39 D60 E64 T65 P66 M67 A71 K72 A73H35-K69 HydrophobicContact CB-CG 4.29Å; A38-K69 HydrophobicContact CB-CB 4.14Å; C39-K69 HydrophobicContact CB-CB 4.13Å; D60-K69 WeakPolarHBondContact OD2-CE 3.38Å; D60-K69 IonicContact OD2-NZ 2.82Å; D60-K69 PolarHBondContact OD2-NZ 3.39Å; E64-K69 WeakPolarHBondContact OE2-CE 3.24Å; E64-K69 IonicContact OE2-NZ 2.61Å; E64-K69 PolarHBondContact OE2-NZ 3.47Å; T65-K69 PolarHBondContact O-N 3.49Å; P66-K69 PolarHBondContact O-N 2.76Å; M67-K69 VanDerWaalsContact C-N 3.29Å; M67-K69 PolarHBondContact O-N 3.24Å; K69-A71 VanDerWaalsContact C-N 3.3Å; K69-A71 PolarHBondContact O-N 3.21Å; K69-K72 PolarHBondContact O-N 3.02Å; K69-A73 WeakPolarHBondContact O-CB 3.32Å; K69-A73 PolarHBondContact O-N 2.94Å
70A91.8Very high91.1Very high0 Ų028.6 Ų28.60%016%0.162CC..Hα-helixtrans-60.1-40.8176.300000112.1A38 P66 M67 A73 G74 S75 C78 I79 L82A38-A70 HydrophobicContact CB-CB 4.18Å; P66-A70 PolarHBondContact O-N 2.91Å; M67-A70 PolarHBondContact O-N 3Å; A70-A73 PolarHBondContact O-N 3.48Å; A70-G74 PolarHBondContact O-N 2.94Å; A70-S75 PolarHBondContact O-N 2.98Å; A70-S75 VanDerWaalsContact O-N 3.12Å; A70-C78 HydrophobicContact CB-CB 3.71Å; A70-I79 HydrophobicContact CB-CG1 3.91Å; A70-L82 HydrophobicContact CB-CD1 4.14Å
71A91.5Very high91Very high0 Ų029 Ų290%017%0.165CC..Hα-helixtrans-64.4-42.3175.700000112.9M67 H68 K69 A73 G74 A99 A103 F108 L115M67-A71 VanDerWaalsContact O-CB 3.32Å; M67-A71 WeakPolarHBondContact O-CB 3.46Å; M67-A71 PolarHBondContact O-N 2.91Å; H68-A71 PolarHBondContact O-N 3.08Å; K69-A71 VanDerWaalsContact C-N 3.3Å; K69-A71 PolarHBondContact O-N 3.21Å; A71-A73 VanDerWaalsContact C-N 3.31Å; A71-G74 PolarHBondContact O-N 3.04Å; A71-A99 HydrophobicContact CB-CB 4.02Å; A71-A99 WeakPolarHBondContact CB-O 3.38Å; A71-A103 HydrophobicContact CB-CB 4.05Å; A71-F108 WeakPolarHBondContact O-CD2 3.46Å; A71-L115 HydrophobicContact CB-CD1 4.23Å
72K90.2Very high91Very high49 Ų4924.1 Ų24.121%0.21314%0.139CC..Hα-helixtrans-68-28.8173.6-75.1-177.3175.8-177.50113.3E64 H68 K69 G74 L102 Y106 F108E64-K72 VanDerWaalsContact OE1-CE 3.22Å; E64-K72 WeakPolarHBondContact OE1-CE 3.37Å; E64-K72 IonicContact OE1-NZ 3.07Å; E64-K72 PolarHBondContact OE1-NZ 3.22Å; E64-K72 IonicContact OE2-NZ 3.43Å; E64-K72 PolarHBondContact OE2-NZ 3.08Å; H68-K72 WeakPolarHBondContact O-CG 3.47Å; H68-K72 PolarHBondContact O-N 2.9Å; K69-K72 PolarHBondContact O-N 3.02Å; K72-G74 VanDerWaalsContact C-N 3.31Å; K72-L102 HydrophobicContact CD-CD1 4.47Å; K72-L102 HydrophobicContact CG-CB 4.41Å; K72-L102 HydrophobicContact CG-CD1 4.24Å; K72-Y106 HydrophobicContact CD-CE2 4.17Å; K72-Y106 HydrophobicContact CG-CD2 4.16Å; K72-Y106 HydrophobicContact CG-CE2 3.8Å; K72-F108 WeakPolarHBondContact O-CE2 3.35Å
73A88.4Confident91Very high39 Ų3921.4 Ų21.432%0.32213%0.126SC..Hα-helixtrans-80.5-1417500000112.6C39 K69 A70 A71 S75C39-A73 WeakPolarHBondContact O-CB 3.49Å; K69-A73 WeakPolarHBondContact O-CB 3.32Å; K69-A73 PolarHBondContact O-N 2.94Å; A70-A73 PolarHBondContact O-N 3.48Å; A71-A73 VanDerWaalsContact C-N 3.31Å; A73-S75 VanDerWaalsContact C-N 3.25Å; A73-S75 PolarHBondContact O-N 3.33Å
74G89.4Confident90.8Very high22 Ų2225.1 Ų25.123%0.22716%0.156CC..THydrogen-bonded Turntrans68.222.3-175.300000113.8A70 A71 K72 L76 C111A70-G74 PolarHBondContact O-N 2.94Å; A71-G74 PolarHBondContact O-N 3.04Å; K72-G74 VanDerWaalsContact C-N 3.31Å; G74-L76 PolarHBondContact O-N 3.27Å; G74-C111 PolarHBondContact O-SG 3.46Å; G74-C111 VanDerWaalsContact O-SG 3.35Å
75S88.9Confident90.5Very high16 Ų1627 Ų2711%0.11217%0.17CC..  trans-91.799.1-176.4-178.40000111.5A70 A73 E77 C78 I79A70-S75 PolarHBondContact O-N 2.98Å; A70-S75 VanDerWaalsContact O-N 3.12Å; A73-S75 VanDerWaalsContact C-N 3.25Å; A73-S75 PolarHBondContact O-N 3.33Å; S75-E77 PolarHBondContact O-N 3.41Å; S75-C78 PolarHBondContact O-N 2.86Å; S75-C78 PolarHBondContact OG-N 3.36Å; S75-C78 PolarHBondContact OG-SG 2.87Å; S75-C78 VanDerWaalsContact OG-SG 3.33Å; S75-I79 WeakPolarHBondContact O-CG1 3.37Å; S75-I79 PolarHBondContact O-N 2.97Å; S75-I79 VanDerWaalsContact O-N 3.14Å
76L89.3Confident90.1Very high66 Ų6632 Ų3235%0.34620%0.196SC..Hα-helixtrans-59.8-34.4174.1-76.7173.5000112.8G74 I79 S80 E110 C111 F114G74-L76 PolarHBondContact O-N 3.27Å; L76-I79 PolarHBondContact O-N 3.24Å; L76-S80 PolarHBondContact O-N 3.26Å; L76-E110 HydrophobicContact CD1-CB 4.42Å; L76-C111 HydrophobicContact CD2-CB 4.32Å; L76-F114 HydrophobicContact CD2-CB 3.85Å; L76-F114 HydrophobicContact CD2-CD1 4.02Å; L76-F114 HydrophobicContact CD2-CG 4.01Å
77E89.8Confident89.8Confident116 Ų11632 Ų3254%0.54220%0.197SC..Hα-helixtrans-67.9-40.4179.1-64.9175.816500111.8A43 S75 I79 S80 V81A43-E77 HydrophobicContact CB-CB 3.64Å; S75-E77 PolarHBondContact O-N 3.41Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-S80 PolarHBondContact O-N 3.49Å; E77-S80 PolarHBondContact O-OG 3.34Å; E77-V81 WeakPolarHBondContact O-CG2 3.4Å; E77-V81 PolarHBondContact O-N 2.95Å; E77-V81 VanDerWaalsContact O-N 3.1Å
78C90.1Very high89.4Confident0 Ų036.9 Ų36.90%022%0.22CC..Hα-helixtrans-66.2-38.6173.3-69.90000111.4G41 L46 A70 S75 V81 L82G41-C78 VanDerWaalsContact CA-SG 3.55Å; L46-C78 HydrophobicContact CD2-CB 3.84Å; A70-C78 HydrophobicContact CB-CB 3.71Å; S75-C78 PolarHBondContact O-N 2.86Å; S75-C78 PolarHBondContact OG-N 3.36Å; S75-C78 PolarHBondContact OG-SG 2.87Å; S75-C78 VanDerWaalsContact OG-SG 3.33Å; C78-V81 PolarHBondContact O-N 2.88Å; C78-L82 WeakPolarHBondContact O-CG 3.46Å; C78-L82 PolarHBondContact O-N 3.48Å
79I91.3Very high89Confident0 Ų037.9 Ų37.90%023%0.225CC..Hα-helixtrans-62.4-45.1175.9-66.6167.4000110.4M67 A70 S75 L76 E77 V81 L82 V83 C111 F114 L115M67-I79 HydrophobicContact CE-CG2 4.47Å; A70-I79 HydrophobicContact CB-CG1 3.91Å; S75-I79 WeakPolarHBondContact O-CG1 3.37Å; S75-I79 PolarHBondContact O-N 2.97Å; S75-I79 VanDerWaalsContact O-N 3.14Å; L76-I79 PolarHBondContact O-N 3.24Å; E77-I79 VanDerWaalsContact C-N 3.32Å; I79-V81 PolarHBondContact O-N 2.99Å; I79-L82 PolarHBondContact O-N 3.14Å; I79-V83 HydrophobicContact CG2-CG2 4.12Å; I79-V83 WeakPolarHBondContact O-CB 3.41Å; I79-V83 WeakPolarHBondContact O-CG2 3.46Å; I79-V83 PolarHBondContact O-N 3.32Å; I79-C111 HydrophobicContact CD1-CB 3.8Å; I79-F114 HydrophobicContact CG2-CD1 3.84Å; I79-F114 HydrophobicContact CG2-CE1 3.95Å; I79-L115 HydrophobicContact CD1-CD1 4.14Å; I79-L115 HydrophobicContact CD1-CG 4.32Å; I79-L115 HydrophobicContact CG2-CD2 3.58Å; I79-L115 HydrophobicContact CG2-CG 4.12Å
80S90.1Very high88.5Confident55 Ų5539.4 Ų39.439%0.38525%0.245SC..Hα-helixtrans-64-39.7-179.869.30000112.3L76 E77 V83 A84L76-S80 PolarHBondContact O-N 3.26Å; E77-S80 PolarHBondContact O-N 3.49Å; E77-S80 PolarHBondContact O-OG 3.34Å; S80-V83 PolarHBondContact O-N 3.45Å; S80-A84 WeakPolarHBondContact O-CB 3.34Å; S80-A84 PolarHBondContact O-N 3.12Å
81V90.8Very high88.3Confident18 Ų1841.3 Ų41.311%0.10926%0.255CS..Hα-helixtrans-61.9-45.2174.31660000111.9A43 L46 L47 L50 E77 C78 I79 A84 S85A43-V81 HydrophobicContact CB-CG2 4.12Å; L46-V81 HydrophobicContact CB-CG1 4.44Å; L46-V81 HydrophobicContact CD2-CG1 4.36Å; L46-V81 HydrophobicContact CG-CG1 4.14Å; L47-V81 HydrophobicContact CB-CG1 3.75Å; L47-V81 HydrophobicContact CB-CG2 4.28Å; L47-V81 HydrophobicContact CD1-CG1 4.08Å; L50-V81 HydrophobicContact CD1-CG1 3.91Å; E77-V81 WeakPolarHBondContact O-CG2 3.4Å; E77-V81 PolarHBondContact O-N 2.95Å; E77-V81 VanDerWaalsContact O-N 3.1Å; C78-V81 PolarHBondContact O-N 2.88Å; I79-V81 PolarHBondContact O-N 2.99Å; V81-A84 PolarHBondContact O-N 3.48Å; V81-S85 PolarHBondContact O-N 3.29Å; V81-S85 PolarHBondContact O-OG 3.24Å
82L90.5Very high88.2Confident0 Ų043.9 Ų43.90%027%0.273CS..Hα-helixtrans-66.1-40.2178.4-73164.3000111.8L46 L50 A56 P66 M67 A70 C78 I79 S85 D86 A87L46-L82 HydrophobicContact CD1-CD2 4.38Å; L46-L82 HydrophobicContact CD2-CD1 4.02Å; L46-L82 HydrophobicContact CD2-CD2 4.19Å; L46-L82 HydrophobicContact CD2-CG 3.79Å; L46-L82 HydrophobicContact CG-CD2 4.5Å; L50-L82 HydrophobicContact CD1-CD2 3.88Å; A56-L82 HydrophobicContact CB-CD2 4.15Å; P66-L82 HydrophobicContact CB-CD1 4.21Å; P66-L82 HydrophobicContact CB-CD2 3.94Å; M67-L82 HydrophobicContact CB-CD1 4.01Å; M67-L82 HydrophobicContact CE-CB 3.58Å; M67-L82 HydrophobicContact CE-CD1 4.33Å; A70-L82 HydrophobicContact CB-CD1 4.14Å; C78-L82 WeakPolarHBondContact O-CG 3.46Å; C78-L82 PolarHBondContact O-N 3.48Å; I79-L82 PolarHBondContact O-N 3.14Å; L82-S85 CarbonylContact O-C 3.45Å; L82-S85 PolarHBondContact O-N 3.03Å; L82-S85 VanDerWaalsContact O-N 3.15Å; L82-D86 PolarHBondContact O-N 3.05Å; L82-A87 HydrophobicContact CB-CB 3.91Å; L82-A87 HydrophobicContact CD2-CB 4.39Å; L82-A87 WeakPolarHBondContact O-CB 3.39Å; L82-A87 PolarHBondContact O-N 2.99Å
83V89.3Confident88.2Confident38 Ų3842 Ų4223%0.2327%0.265CS..Hα-helixtrans-63.7-42.2175.7172.70000110.9M67 I79 S80 S85 D86 L89 L118M67-V83 HydrophobicContact CE-CG2 3.9Å; I79-V83 HydrophobicContact CG2-CG2 4.12Å; I79-V83 WeakPolarHBondContact O-CB 3.41Å; I79-V83 WeakPolarHBondContact O-CG2 3.46Å; I79-V83 PolarHBondContact O-N 3.32Å; S80-V83 PolarHBondContact O-N 3.45Å; V83-S85 PolarHBondContact O-N 3.35Å; V83-D86 PolarHBondContact O-N 3.25Å; V83-D86 VanDerWaalsContact O-N 3.12Å; V83-L89 HydrophobicContact CG2-CD2 3.93Å; V83-L118 HydrophobicContact CB-CD1 4.29Å; V83-L118 HydrophobicContact CG1-CD1 3.97Å; V83-L118 HydrophobicContact CG1-CD2 4.33Å; V83-L118 HydrophobicContact CG2-CD1 3.46Å; V83-L118 VanDerWaalsContact CG2-CD1 3.46Å
84A88.2Confident88.4Confident82 Ų8245.7 Ų45.768%0.67828%0.28SS*.Hα-helixtrans-64.6-24.2175.300000112.8S80 V81 D86S80-A84 WeakPolarHBondContact O-CB 3.34Å; S80-A84 PolarHBondContact O-N 3.12Å; V81-A84 PolarHBondContact O-N 3.48Å; A84-D86 VanDerWaalsContact C-N 3.31Å
85S86.1Confident88.3Confident42 Ų4250.6 Ų50.629%0.29430%0.296SS..THydrogen-bonded Turntrans-9418176.1-50.70000112.9L50 V81 L82 V83 A87L50-S85 VanDerWaalsContact CD1-OG 3.31Å; L50-S85 WeakPolarHBondContact CD1-OG 3.29Å; V81-S85 PolarHBondContact O-N 3.29Å; V81-S85 PolarHBondContact O-OG 3.24Å; L82-S85 CarbonylContact O-C 3.45Å; L82-S85 PolarHBondContact O-N 3.03Å; L82-S85 VanDerWaalsContact O-N 3.15Å; V83-S85 PolarHBondContact O-N 3.35Å; S85-A87 VanDerWaalsContact C-N 3.25Å; S85-A87 PolarHBondContact O-N 3.41Å
86D83.9Confident88.3Confident107 Ų10752.1 Ų52.157%0.57232%0.315SS*.THydrogen-bonded Turntrans58.230178.6-91.8-60.3000115.1L82 V83 A84 R122L82-D86 PolarHBondContact O-N 3.05Å; V83-D86 PolarHBondContact O-N 3.25Å; V83-D86 VanDerWaalsContact O-N 3.12Å; A84-D86 VanDerWaalsContact C-N 3.31Å; D86-R122 IonicContact OD1-CZ 3.78Å; D86-R122 IonicContact OD1-NH2 2.76Å; D86-R122 PolarHBondContact OD1-NH2 3.37Å
87A87.4Confident88.3Confident1 Ų152.6 Ų52.61%0.00831%0.312CS..  trans-58.7144.317400000112A56 M67 L82 S85 L89A56-A87 HydrophobicContact CB-CB 3.96Å; M67-A87 HydrophobicContact CE-CB 4.15Å; L82-A87 HydrophobicContact CB-CB 3.91Å; L82-A87 HydrophobicContact CD2-CB 4.39Å; L82-A87 WeakPolarHBondContact O-CB 3.39Å; L82-A87 PolarHBondContact O-N 2.99Å; S85-A87 VanDerWaalsContact C-N 3.25Å; S85-A87 PolarHBondContact O-N 3.41Å; A87-L89 PolarHBondContact O-N 3.28Å
88Q85.5Confident88.4Confident104 Ų10447.5 Ų47.549%0.48629%0.289SS..  trans-78.7109.9-179.5-64.4-17913.600110.5N57 G90 L91N57-Q88 WeakPolarHBondContact OD1-CB 3.34Å; N57-Q88 PolarHBondContact OD1-N 3.47Å; Q88-G90 VanDerWaalsContact C-N 3.29Å; Q88-G90 PolarHBondContact O-N 2.88Å; Q88-L91 HydrophobicContact CB-CD1 3.74Å; Q88-L91 HydrophobicContact CB-CG 3.77Å
89L83.1Confident88.3Confident22 Ų2247.6 Ų47.612%0.11529%0.29CS..THydrogen-bonded Turntrans-73.1-22.3-179.6-45.8-177.5000113.3M67 V83 A87 L115 L118M67-L89 HydrophobicContact CE-CD2 3.4Å; M67-L89 VanDerWaalsContact CE-CD2 3.4Å; M67-L89 HydrophobicContact SD-CB 4.42Å; M67-L89 HydrophobicContact SD-CD2 3.23Å; M67-L89 WeakPolarHBondContact SD-CD2 2.9Å; M67-L89 HydrophobicContact SD-CG 4.4Å; V83-L89 HydrophobicContact CG2-CD2 3.93Å; A87-L89 PolarHBondContact O-N 3.28Å; L89-L115 HydrophobicContact CD2-CD2 4.38Å; L89-L118 HydrophobicContact CD1-CB 3.85Å
90G82.8Confident88.3Confident50 Ų5049.1 Ų49.152%0.51530%0.297SS..THydrogen-bonded Turntrans-92.54.8-172.100000115Q88Q88-G90 VanDerWaalsContact C-N 3.29Å; Q88-G90 PolarHBondContact O-N 2.88Å
91L87.2Confident88.2Confident40 Ų4051.3 Ų51.321%0.20930%0.301CS..  trans-71.5139.8177.1-69.3174.7000110.2N57 T65 H68 Q88N57-L91 HydrophobicContact CB-CD1 4.09Å; T65-L91 HydrophobicContact CG2-CB 4.24Å; T65-L91 HydrophobicContact CG2-CD1 3.71Å; H68-L91 PolarHBondContact CE1-O 3.45Å; H68-L91 PolarHBondContact NE2-O 3.3Å; Q88-L91 HydrophobicContact CB-CD1 3.74Å; Q88-L91 HydrophobicContact CB-CG 3.77Å
92C90.5Very high88.2Confident55 Ų5550.4 Ų50.437%0.37230%0.296SS..BIsolated β-bridgetrans-105146.5174.2-63.20000110Q59 R97Q59-C92 PolarHBondContact NE2-O 2.89Å; C92-R97 WeakPolarHBondContact CA-O 3.45Å
93N90.6Very high88.2Confident9 Ų950.4 Ų50.45%0.04830%0.296CS..  trans-75.3-179.5167.777.1-6.2000111.9G63 E64 H68 E95 G96 R97G63-N93 WeakPolarHBondContact O-CA 3.16Å; E64-N93 HydrophobicContact CG-CB 3.83Å; E64-N93 PolarHBondContact OE1-ND2 3.1Å; H68-N93 PolarHBondContact NE2-N 3.32Å; N93-E95 PolarHBondContact ND2-OE2 3.42Å; N93-E95 PolarHBondContact O-N 3.43Å; N93-E95 WeakPolarHBondContact OD1-CB 3.34Å; N93-E95 PolarHBondContact OD1-N 2.84Å; N93-G96 PolarHBondContact O-N 3.43Å; N93-G96 PolarHBondContact OD1-N 2.88Å; N93-R97 PolarHBondContact N-O 3.36Å; N93-R97 PolarHBondContact OD1-N 3.24Å; N93-R97 PolarHBondContact OD1-O 2.86Å
94N91.2Very high88.2Confident117 Ų11752.5 Ų52.563%0.62631%0.305SS*.THydrogen-bonded Turntrans-62.3-16.1-179.4-70.8-8.9000114.1N61 N62 G63 G96N61-N94 PolarHBondContact O-ND2 3.02Å; N61-N94 VanDerWaalsContact O-ND2 3.1Å; N62-N94 WeakPolarHBondContact CA-ND2 3.46Å; N62-N94 VanDerWaalsContact O-CB 3.28Å; N62-N94 WeakPolarHBondContact O-CB 3.06Å; N62-N94 PolarHBondContact O-N 3.06Å; N62-N94 PolarHBondContact O-ND2 2.61Å; G63-N94 WeakPolarHBondContact CA-OD1 3.22Å; N94-G96 VanDerWaalsContact C-N 3.32Å
95E87.9Confident88.4Confident124 Ų12452 Ų5258%0.57930%0.297SS*.THydrogen-bonded Turntrans-91.83.1175.9-56.3162.5141.600112N93 R97N93-E95 PolarHBondContact ND2-OE2 3.42Å; N93-E95 PolarHBondContact O-N 3.43Å; N93-E95 WeakPolarHBondContact OD1-CB 3.34Å; N93-E95 PolarHBondContact OD1-N 2.84Å; E95-R97 VanDerWaalsContact C-N 3.27Å; E95-R97 HydrophobicContact CB-CG 4.2Å; E95-R97 PolarHBondContact O-N 3.17Å; E95-R97 IonicContact OE1-NH2 3.65Å; E95-R97 PolarHBondContact OE1-NH2 2.73Å; E95-R97 IonicContact OE2-CZ 2.55Å; E95-R97 IonicContact OE2-NE 3.49Å; E95-R97 PolarHBondContact OE2-NE 2.93Å; E95-R97 IonicContact OE2-NH2 2.82Å; E95-R97 PolarHBondContact OE2-NH2 2.71Å
96G89.8Confident88.4Confident49 Ų4955.8 Ų55.851%0.50531%0.306SS..SBendtrans77.49.3-176.800000114.1N93 N94N93-G96 PolarHBondContact O-N 3.43Å; N93-G96 PolarHBondContact OD1-N 2.88Å; N94-G96 VanDerWaalsContact C-N 3.32Å
97R88.5Confident88.7Confident75 Ų7553.3 Ų53.328%0.28331%0.305SS..  trans-91.3137.4-177-58.1-168.9-71.5176.2-2.1111.3H68 C92 N93 E95 E101 L102H68-R97 PolarHBondContact NE2-O 2.85Å; C92-R97 WeakPolarHBondContact CA-O 3.45Å; N93-R97 PolarHBondContact N-O 3.36Å; N93-R97 PolarHBondContact OD1-N 3.24Å; N93-R97 PolarHBondContact OD1-O 2.86Å; E95-R97 VanDerWaalsContact C-N 3.27Å; E95-R97 HydrophobicContact CB-CG 4.2Å; E95-R97 PolarHBondContact O-N 3.17Å; E95-R97 IonicContact OE1-NH2 3.65Å; E95-R97 PolarHBondContact OE1-NH2 2.73Å; E95-R97 IonicContact OE2-CZ 2.55Å; E95-R97 IonicContact OE2-NE 3.49Å; E95-R97 PolarHBondContact OE2-NE 2.93Å; E95-R97 IonicContact OE2-NH2 2.82Å; E95-R97 PolarHBondContact OE2-NH2 2.71Å; R97-E101 VanDerWaalsContact CA-OE2 3.32Å; R97-E101 WeakPolarHBondContact CA-OE2 3.46Å; R97-L102 HydrophobicContact CB-CD2 4.28Å; R97-L102 HydrophobicContact CB-CG 4.34Å
98T91.3Very high88.9Confident10 Ų1057 Ų576%0.06132%0.321CS..BIsolated β-bridgetrans-84.3162.7171.960.70000111.5E100 E101 L102T98-E100 PolarHBondContact O-N 2.96Å; T98-E101 PolarHBondContact N-OE2 3.02Å; T98-E101 PolarHBondContact O-N 2.55Å; T98-E101 WeakPolarHBondContact OG1-CG 3.4Å; T98-E101 PolarHBondContact OG1-N 3.19Å; T98-E101 PolarHBondContact OG1-OE2 3.11Å; T98-L102 WeakPolarHBondContact O-CG 3.31Å; T98-L102 PolarHBondContact O-N 2.94Å
99A89.1Confident89Confident2 Ų257 Ų572%0.01732%0.321CS..Hα-helixtrans-57.7-33.6175.200000113M67 A71 L102 A103 L115M67-A99 HydrophobicContact CB-CB 4.45Å; M67-A99 HydrophobicContact CG-CB 3.73Å; A71-A99 HydrophobicContact CB-CB 4.02Å; A71-A99 WeakPolarHBondContact CB-O 3.38Å; A99-L102 PolarHBondContact O-N 2.91Å; A99-A103 PolarHBondContact O-N 3.33Å; A99-L115 HydrophobicContact CB-CD1 4.15Å
100E90.1Very high89.3Confident32 Ų3262.9 Ų62.915%0.1535%0.348CS..Hα-helixtrans-62.9-51.7174.9179.6-174.6161.300111.8T98 L102 A103 L104 L115 N116T98-E100 PolarHBondContact O-N 2.96Å; E100-L102 PolarHBondContact O-N 2.92Å; E100-A103 PolarHBondContact O-N 3.29Å; E100-A103 VanDerWaalsContact O-N 3.16Å; E100-L104 HydrophobicContact CG-CD1 4.37Å; E100-L104 WeakPolarHBondContact O-CG 3.22Å; E100-L104 PolarHBondContact O-N 3.41Å; E100-L115 HydrophobicContact CB-CB 4.13Å; E100-L115 HydrophobicContact CG-CB 4.46Å; E100-N116 VanDerWaalsContact CD-CB 3.42Å; E100-N116 HydrophobicContact CG-CB 4.34Å; E100-N116 WeakPolarHBondContact OE1-CB 3.49Å; E100-N116 PolarHBondContact OE1-ND2 3.07Å; E100-N116 VanDerWaalsContact OE1-ND2 3.07Å; E100-N116 WeakPolarHBondContact OE2-CA 3.25Å
101E89.4Confident89.6Confident100 Ų10060.7 Ų60.747%0.46733%0.325SS..Hα-helixtrans-61.9-36.2179.7-69164.9157.400111.3R97 T98 S105R97-E101 VanDerWaalsContact CA-OE2 3.32Å; R97-E101 WeakPolarHBondContact CA-OE2 3.46Å; T98-E101 PolarHBondContact N-OE2 3.02Å; T98-E101 PolarHBondContact O-N 2.55Å; T98-E101 WeakPolarHBondContact OG1-CG 3.4Å; T98-E101 PolarHBondContact OG1-N 3.19Å; T98-E101 PolarHBondContact OG1-OE2 3.11Å; E101-S105 WeakPolarHBondContact O-CB 3.14Å; E101-S105 PolarHBondContact O-N 2.92Å; E101-S105 PolarHBondContact O-OG 3.41Å
102L89.6Confident89.6Confident0 Ų058.9 Ų58.90%032%0.315CS..Hα-helixtrans-62.1-53171.9-72.2-180000111.3H68 K72 R97 T98 A99 E100 L104 S105 Y106H68-L102 HydrophobicContact CB-CD1 3.82Å; H68-L102 VanDerWaalsContact CD2-CD1 3.5Å; H68-L102 WeakPolarHBondContact CD2-CD1 3.31Å; K72-L102 HydrophobicContact CD-CD1 4.47Å; K72-L102 HydrophobicContact CG-CB 4.41Å; K72-L102 HydrophobicContact CG-CD1 4.24Å; R97-L102 HydrophobicContact CB-CD2 4.28Å; R97-L102 HydrophobicContact CB-CG 4.34Å; T98-L102 WeakPolarHBondContact O-CG 3.31Å; T98-L102 PolarHBondContact O-N 2.94Å; A99-L102 PolarHBondContact O-N 2.91Å; E100-L102 PolarHBondContact O-N 2.92Å; L102-L104 PolarHBondContact O-N 3.24Å; L102-S105 WeakPolarHBondContact CA-OG 3.41Å; L102-S105 PolarHBondContact O-N 2.89Å; L102-S105 PolarHBondContact O-OG 3Å; L102-Y106 HydrophobicContact CD2-CE2 4.36Å; L102-Y106 VanDerWaalsContact O-CD2 3.29Å; L102-Y106 WeakPolarHBondContact O-CD2 3.39Å; L102-Y106 PolarHBondContact O-N 3.41Å
103A90.8Very high89.5Confident0 Ų063.6 Ų63.60%033%0.325CS..Hα-helixtrans-52.8-44.9179.200000111.8A71 A99 E100 Y106 G107 F108 C111A71-A103 HydrophobicContact CB-CB 4.05Å; A99-A103 PolarHBondContact O-N 3.33Å; E100-A103 PolarHBondContact O-N 3.29Å; E100-A103 VanDerWaalsContact O-N 3.16Å; A103-Y106 PolarHBondContact O-N 3.15Å; A103-G107 PolarHBondContact O-N 3.23Å; A103-F108 HydrophobicContact CB-CB 4.4Å; A103-F108 WeakPolarHBondContact O-CA 3.44Å; A103-F108 PolarHBondContact O-N 3.43Å; A103-C111 HydrophobicContact CB-CB 3.92Å
104L90.1Very high89.4Confident81 Ų8167 Ų6742%0.42434%0.34SS..Hα-helixtrans-64.8-42.6176.9-64.8176.1000112.4E100 L102 Y106 G107E100-L104 HydrophobicContact CG-CD1 4.37Å; E100-L104 WeakPolarHBondContact O-CG 3.22Å; E100-L104 PolarHBondContact O-N 3.41Å; L102-L104 PolarHBondContact O-N 3.24Å; L104-Y106 VanDerWaalsContact C-N 3.26Å; L104-Y106 PolarHBondContact O-N 3.36Å; L104-G107 PolarHBondContact O-N 2.95Å; L104-G107 VanDerWaalsContact O-N 3.08Å
105S90.5Very high89.2Confident71 Ų7161.7 Ų61.750%0.49731%0.311SS..Hα-helixtrans-65.2-27.7179.771.70000113.8E101 L102E101-S105 WeakPolarHBondContact O-CB 3.14Å; E101-S105 PolarHBondContact O-N 2.92Å; E101-S105 PolarHBondContact O-OG 3.41Å; L102-S105 WeakPolarHBondContact CA-OG 3.41Å; L102-S105 PolarHBondContact O-N 2.89Å; L102-S105 PolarHBondContact O-OG 3Å
106Y87.7Confident89.1Confident123 Ų12358.7 Ų58.748%0.48230%0.299SS..THydrogen-bonded Turntrans-89.7-1.5175.5-78.4-100000113.1K72 L102 A103 L104K72-Y106 HydrophobicContact CD-CE2 4.17Å; K72-Y106 HydrophobicContact CG-CD2 4.16Å; K72-Y106 HydrophobicContact CG-CE2 3.8Å; L102-Y106 HydrophobicContact CD2-CE2 4.36Å; L102-Y106 VanDerWaalsContact O-CD2 3.29Å; L102-Y106 WeakPolarHBondContact O-CD2 3.39Å; L102-Y106 PolarHBondContact O-N 3.41Å; A103-Y106 PolarHBondContact O-N 3.15Å; L104-Y106 VanDerWaalsContact C-N 3.26Å; L104-Y106 PolarHBondContact O-N 3.36Å
107G89Confident89Confident54 Ų5460.3 Ų60.356%0.55730%0.3SS*.THydrogen-bonded Turntrans86.58.5178.500000115A103 L104 E109A103-G107 PolarHBondContact O-N 3.23Å; L104-G107 PolarHBondContact O-N 2.95Å; L104-G107 VanDerWaalsContact O-N 3.08Å; G107-E109 VanDerWaalsContact C-N 3.26Å; G107-E109 PolarHBondContact O-N 3.26Å
108F91.3Very high88.9Confident78 Ų7858.5 Ų58.534%0.34230%0.295SS..  trans-84.967.7175.3-57.7-63.1000110.8A71 K72 A103 E110 C111 G112A71-F108 WeakPolarHBondContact O-CD2 3.46Å; K72-F108 WeakPolarHBondContact O-CE2 3.35Å; A103-F108 HydrophobicContact CB-CB 4.4Å; A103-F108 WeakPolarHBondContact O-CA 3.44Å; A103-F108 PolarHBondContact O-N 3.43Å; F108-E110 VanDerWaalsContact C-N 3.27Å; F108-E110 PolarHBondContact O-N 3.25Å; F108-C111 HydrophobicContact CB-CB 4.08Å; F108-C111 PolarHBondContact O-N 3.16Å; F108-G112 PolarHBondContact O-N 3.43Å
109E89.3Confident88.4Confident105 Ų10562.7 Ų62.749%0.49131%0.31SS..Hα-helixtrans-56.1-38.7-176.5-70.3-169.1-170.800113.2G107 G112 R113G107-E109 VanDerWaalsContact C-N 3.26Å; G107-E109 PolarHBondContact O-N 3.26Å; E109-G112 PolarHBondContact O-N 3.44Å; E109-R113 WeakPolarHBondContact O-CB 3.34Å; E109-R113 WeakPolarHBondContact O-CG 3.4Å; E109-R113 PolarHBondContact O-N 3.19Å; E109-R113 IonicContact OE2-CZ 2.73Å; E109-R113 IonicContact OE2-NH1 2.96Å; E109-R113 IonicContact OE2-NH2 2.71Å; E109-R113 PolarHBondContact OE2-NH2 3.33Å
110E89.1Confident87.7Confident146 Ų14666.8 Ų66.868%0.68233%0.33SS*.Hα-helixtrans-65.1-42.6179.8-64.4-163.212800111.9L76 F108 F114L76-E110 HydrophobicContact CD1-CB 4.42Å; F108-E110 VanDerWaalsContact C-N 3.27Å; F108-E110 PolarHBondContact O-N 3.25Å; E110-F114 VanDerWaalsContact O-CB 3.22Å; E110-F114 WeakPolarHBondContact O-CB 3.32Å; E110-F114 PolarHBondContact O-N 2.88Å
111C88.1Confident86.9Confident4 Ų468.5 Ų68.53%0.02734%0.343CS..Hα-helixtrans-64-44.6175.2-71.20000111.6G74 L76 I79 A103 F108 F114 L115G74-C111 PolarHBondContact O-SG 3.46Å; G74-C111 VanDerWaalsContact O-SG 3.35Å; L76-C111 HydrophobicContact CD2-CB 4.32Å; I79-C111 HydrophobicContact CD1-CB 3.8Å; A103-C111 HydrophobicContact CB-CB 3.92Å; F108-C111 HydrophobicContact CB-CB 4.08Å; F108-C111 PolarHBondContact O-N 3.16Å; C111-F114 PolarHBondContact O-N 3.32Å; C111-L115 WeakPolarHBondContact O-CB 3.36Å; C111-L115 WeakPolarHBondContact O-CG 3.24Å; C111-L115 PolarHBondContact O-N 3.03Å
112G87.4Confident85.9Confident1 Ų169.4 Ų69.41%0.0134%0.342CS..Hα-helixtrans-61.8-49.417700000112.1F108 E109 F114 L115 N116F108-G112 PolarHBondContact O-N 3.43Å; E109-G112 PolarHBondContact O-N 3.44Å; G112-F114 VanDerWaalsContact C-N 3.3Å; G112-F114 PolarHBondContact O-N 3.43Å; G112-L115 PolarHBondContact O-N 2.91Å; G112-N116 WeakPolarHBondContact O-CB 3.47Å; G112-N116 PolarHBondContact O-N 2.91Å
113R88.3Confident84.5Confident155 Ų15573.8 Ų73.859%0.58537%0.365SS*.Hα-helixtrans-60.3-40.1176.2-75.4-174.9-175.313316.3112E109 N116 T117E109-R113 WeakPolarHBondContact O-CB 3.34Å; E109-R113 WeakPolarHBondContact O-CG 3.4Å; E109-R113 PolarHBondContact O-N 3.19Å; E109-R113 IonicContact OE2-CZ 2.73Å; E109-R113 IonicContact OE2-NH1 2.96Å; E109-R113 IonicContact OE2-NH2 2.71Å; E109-R113 PolarHBondContact OE2-NH2 3.33Å; R113-N116 PolarHBondContact O-N 3.04Å; R113-T117 WeakPolarHBondContact O-CB 3.48Å; R113-T117 PolarHBondContact O-N 3.03Å; R113-T117 PolarHBondContact O-OG1 3.25Å
114F89.6Confident82.8Confident81 Ų8179.5 Ų79.536%0.35540%0.395SS..Hα-helixtrans-63.9-49.2177.9-173.5-109.8000111.5L76 I79 E110 C111 G112 N116 T117 L118L76-F114 HydrophobicContact CD2-CB 3.85Å; L76-F114 HydrophobicContact CD2-CD1 4.02Å; L76-F114 HydrophobicContact CD2-CG 4.01Å; I79-F114 HydrophobicContact CG2-CD1 3.84Å; I79-F114 HydrophobicContact CG2-CE1 3.95Å; E110-F114 VanDerWaalsContact O-CB 3.22Å; E110-F114 WeakPolarHBondContact O-CB 3.32Å; E110-F114 PolarHBondContact O-N 2.88Å; C111-F114 PolarHBondContact O-N 3.32Å; G112-F114 VanDerWaalsContact C-N 3.3Å; G112-F114 PolarHBondContact O-N 3.43Å; F114-N116 VanDerWaalsContact C-N 3.35Å; F114-N116 PolarHBondContact O-N 3.08Å; F114-T117 PolarHBondContact O-N 3.25Å; F114-L118 HydrophobicContact CD1-CD1 3.74Å; F114-L118 HydrophobicContact CD1-CG 4.44Å; F114-L118 HydrophobicContact CE1-CD1 3.4Å; F114-L118 HydrophobicContact CE1-CG 4.22Å; F114-L118 HydrophobicContact CG-CD1 4.47Å; F114-L118 HydrophobicContact CZ-CD1 3.85Å; F114-L118 HydrophobicContact CZ-CD2 4.38Å; F114-L118 HydrophobicContact CZ-CG 4.28Å; F114-L118 WeakPolarHBondContact O-CG 3.36Å; F114-L118 PolarHBondContact O-N 3.36Å
115L86.9Confident81Confident5 Ų580.4 Ų80.43%0.02640%0.403CS..Hα-helixtrans-60-42.4176-74.7169.1000112.3M67 A71 I79 L89 A99 E100 C111 G112 L118 R119M67-L115 HydrophobicContact CE-CD2 4.31Å; M67-L115 HydrophobicContact CG-CD2 4.37Å; M67-L115 HydrophobicContact SD-CD2 3.81Å; A71-L115 HydrophobicContact CB-CD1 4.23Å; I79-L115 HydrophobicContact CD1-CD1 4.14Å; I79-L115 HydrophobicContact CD1-CG 4.32Å; I79-L115 HydrophobicContact CG2-CD2 3.58Å; I79-L115 HydrophobicContact CG2-CG 4.12Å; L89-L115 HydrophobicContact CD2-CD2 4.38Å; A99-L115 HydrophobicContact CB-CD1 4.15Å; E100-L115 HydrophobicContact CB-CB 4.13Å; E100-L115 HydrophobicContact CG-CB 4.46Å; C111-L115 WeakPolarHBondContact O-CB 3.36Å; C111-L115 WeakPolarHBondContact O-CG 3.24Å; C111-L115 PolarHBondContact O-N 3.03Å; G112-L115 PolarHBondContact O-N 2.91Å; L115-L118 PolarHBondContact O-N 3.08Å; L115-R119 WeakPolarHBondContact O-CB 3.5Å; L115-R119 PolarHBondContact O-N 2.94Å
116N86.2Confident79.2Confident60 Ų6081.5 Ų81.532%0.32141%0.411SS..Hα-helixtrans-62-45.4175.6-163-8.5000111.6E100 G112 R113 F114 L118 R119 M120E100-N116 VanDerWaalsContact CD-CB 3.42Å; E100-N116 HydrophobicContact CG-CB 4.34Å; E100-N116 WeakPolarHBondContact OE1-CB 3.49Å; E100-N116 PolarHBondContact OE1-ND2 3.07Å; E100-N116 VanDerWaalsContact OE1-ND2 3.07Å; E100-N116 WeakPolarHBondContact OE2-CA 3.25Å; G112-N116 WeakPolarHBondContact O-CB 3.47Å; G112-N116 PolarHBondContact O-N 2.91Å; R113-N116 PolarHBondContact O-N 3.04Å; F114-N116 VanDerWaalsContact C-N 3.35Å; F114-N116 PolarHBondContact O-N 3.08Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 3.35Å; N116-R119 WeakPolarHBondContact O-CB 3.36Å; N116-R119 PolarHBondContact O-N 2.87Å; N116-R119 VanDerWaalsContact O-N 3.17Å; N116-M120 WeakPolarHBondContact O-CG 3.3Å; N116-M120 PolarHBondContact O-N 3.3Å
117T87.7Confident77.6Confident84 Ų8479.9 Ų79.952%0.51542%0.418SS..Hα-helixtrans-60.2-46.1178.3-580000110.5R113 F114 R119 M120 T121R113-T117 WeakPolarHBondContact O-CB 3.48Å; R113-T117 PolarHBondContact O-N 3.03Å; R113-T117 PolarHBondContact O-OG1 3.25Å; F114-T117 PolarHBondContact O-N 3.25Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 3.21Å; T117-M120 PolarHBondContact O-N 3.46Å; T117-T121 HydrophobicContact CG2-CG2 4.48Å; T117-T121 WeakPolarHBondContact O-CG2 3.15Å; T117-T121 PolarHBondContact O-N 3.09Å; T117-T121 PolarHBondContact O-OG1 3Å
118L86Confident75.6Confident36 Ų3681.2 Ų81.219%0.18842%0.419CS..Hα-helixtrans-62.5-37.6176.1-70.2175.7000112.8V83 L89 F114 L115 N116 T121 R122V83-L118 HydrophobicContact CB-CD1 4.29Å; V83-L118 HydrophobicContact CG1-CD1 3.97Å; V83-L118 HydrophobicContact CG1-CD2 4.33Å; V83-L118 HydrophobicContact CG2-CD1 3.46Å; V83-L118 VanDerWaalsContact CG2-CD1 3.46Å; L89-L118 HydrophobicContact CD1-CB 3.85Å; F114-L118 HydrophobicContact CD1-CD1 3.74Å; F114-L118 HydrophobicContact CD1-CG 4.44Å; F114-L118 HydrophobicContact CE1-CD1 3.4Å; F114-L118 HydrophobicContact CE1-CG 4.22Å; F114-L118 HydrophobicContact CG-CD1 4.47Å; F114-L118 HydrophobicContact CZ-CD1 3.85Å; F114-L118 HydrophobicContact CZ-CD2 4.38Å; F114-L118 HydrophobicContact CZ-CG 4.28Å; F114-L118 WeakPolarHBondContact O-CG 3.36Å; F114-L118 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 3.08Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 3.35Å; L118-T121 WeakPolarHBondContact CA-OG1 3.49Å; L118-T121 PolarHBondContact O-OG1 2.96Å; L118-R122 WeakPolarHBondContact O-CB 3.21Å; L118-R122 PolarHBondContact O-N 3.25Å; L118-R122 VanDerWaalsContact O-N 3.1Å
119R80.1Confident73.6Confident99 Ų9983.9 Ų83.937%0.37444%0.442SS..Hα-helixtrans-64.7-44.7174.9-174.2179173.3147.50.3111L115 N116 T117 R122 L123L115-R119 WeakPolarHBondContact O-CB 3.5Å; L115-R119 PolarHBondContact O-N 2.94Å; N116-R119 WeakPolarHBondContact O-CB 3.36Å; N116-R119 PolarHBondContact O-N 2.87Å; N116-R119 VanDerWaalsContact O-N 3.17Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 3.21Å; R119-R122 PolarHBondContact O-N 3.42Å; R119-L123 HydrophobicContact CG-CD1 4.45Å; R119-L123 VanDerWaalsContact O-CG 3.3Å; R119-L123 WeakPolarHBondContact O-CG 3.46Å; R119-L123 PolarHBondContact O-N 3.38Å
120M74.9Confident71.7Confident88 Ų8884.1 Ų84.143%0.43345%0.452SS..Hα-helixtrans-66.2-41.8177.9-68.1-57.6122.500112.4N116 T117 R122 L123 L124N116-M120 WeakPolarHBondContact O-CG 3.3Å; N116-M120 PolarHBondContact O-N 3.3Å; T117-M120 PolarHBondContact O-N 3.46Å; M120-R122 PolarHBondContact O-N 3.22Å; M120-L123 HydrophobicContact CE-CD1 4.04Å; M120-L123 PolarHBondContact O-N 3.42Å; M120-L123 HydrophobicContact SD-CD1 4.33Å; M120-L124 VanDerWaalsContact O-CG 3.3Å; M120-L124 WeakPolarHBondContact O-CG 2.82Å; M120-L124 PolarHBondContact O-N 3.18Å
121T73.4Confident69.2Low68 Ų6885.1 Ų85.142%0.41746%0.461SS..Hα-helixtrans-64.2-39.3177.554.90000111.9T117 L118 L123 L124 T125T117-T121 HydrophobicContact CG2-CG2 4.48Å; T117-T121 WeakPolarHBondContact O-CG2 3.15Å; T117-T121 PolarHBondContact O-N 3.09Å; T117-T121 PolarHBondContact O-OG1 3Å; L118-T121 WeakPolarHBondContact CA-OG1 3.49Å; L118-T121 PolarHBondContact O-OG1 2.96Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.47Å; T121-L124 PolarHBondContact O-N 3.07Å; T121-T125 WeakPolarHBondContact O-CG2 3.34Å; T121-T125 PolarHBondContact O-N 3.16Å; T121-T125 PolarHBondContact O-OG1 3.09Å
122R67.6Low66.8Low119 Ų11992.7 Ų92.745%0.44950%0.498SS..Hα-helixtrans-66.6-30.6176.2-159.2171.9-161.3152.910.5113.1D86 L118 R119 M120 T125 S126D86-R122 IonicContact OD1-CZ 3.78Å; D86-R122 IonicContact OD1-NH2 2.76Å; D86-R122 PolarHBondContact OD1-NH2 3.37Å; L118-R122 WeakPolarHBondContact O-CB 3.21Å; L118-R122 PolarHBondContact O-N 3.25Å; L118-R122 VanDerWaalsContact O-N 3.1Å; R119-R122 PolarHBondContact O-N 3.42Å; M120-R122 PolarHBondContact O-N 3.22Å; R122-T125 PolarHBondContact O-OG1 3.08Å; R122-T125 VanDerWaalsContact O-OG1 3.06Å; R122-S126 PolarHBondContact O-N 3.13Å
123L61.3Low64.7Low92 Ų9298.4 Ų98.448%0.48254%0.535SS..Hα-helixtrans-73.1-38.5174.1-69.7169.6000111.8R119 M120 T121 S126R119-L123 HydrophobicContact CG-CD1 4.45Å; R119-L123 VanDerWaalsContact O-CG 3.3Å; R119-L123 WeakPolarHBondContact O-CG 3.46Å; R119-L123 PolarHBondContact O-N 3.38Å; M120-L123 HydrophobicContact CE-CD1 4.04Å; M120-L123 PolarHBondContact O-N 3.42Å; M120-L123 HydrophobicContact SD-CD1 4.33Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 3.47Å; L123-S126 PolarHBondContact O-N 2.91Å; L123-S126 PolarHBondContact O-OG 2.97Å
124L54.5Low62.7Low120 Ų12094.9 Ų94.963%0.62854%0.539SS*.Hα-helixtrans-70.6-31.8178.6-66.9168.9000112.8M120 T121 S126 S127M120-L124 VanDerWaalsContact O-CG 3.3Å; M120-L124 WeakPolarHBondContact O-CG 2.82Å; M120-L124 PolarHBondContact O-N 3.18Å; T121-L124 PolarHBondContact O-N 3.07Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S127 PolarHBondContact O-N 3.15Å; L124-S127 PolarHBondContact O-OG 2.89Å
125T51.6Low60Low99 Ų9999.9 Ų99.961%0.60756%0.564SS**Hα-helixtrans-74.4-19.8174.1570000113.3T121 R122T121-T125 WeakPolarHBondContact O-CG2 3.34Å; T121-T125 PolarHBondContact O-N 3.16Å; T121-T125 PolarHBondContact O-OG1 3.09Å; R122-T125 PolarHBondContact O-OG1 3.08Å; R122-T125 VanDerWaalsContact O-OG1 3.06Å
126S52.7Low57.6Low95 Ų95106.9 Ų106.966%0.66460%0.6SS**Hα-helixtrans-78.3-20.7175.476.10000113.7R122 L123 L124R122-S126 PolarHBondContact O-N 3.13Å; L123-S126 PolarHBondContact O-N 2.91Å; L123-S126 PolarHBondContact O-OG 2.97Å; L124-S126 VanDerWaalsContact C-N 3.3Å
127S54.5Low55.5Low88 Ų88110.6 Ų110.662%0.61563%0.625SS**SBendtrans-101.9-3.1-179.264.60000114.1L124L124-S127 PolarHBondContact O-N 3.15Å; L124-S127 PolarHBondContact O-OG 2.89Å
128S46.8Very low52.8Low83 Ų83111.3 Ų111.358%0.5864%0.639SS**SBendtrans-149.5123.7173.5-83.10000111.7
129T49.4Very low50.3Low134 Ų134115.5 Ų115.582%0.82267%0.67SS**  trans-43.6151.6168.640.10000113.6
130P48.8Very low48.4Very low109 Ų109116.3 Ų116.371%0.70869%0.688SS**  trans-83133-146.633.3-33.9000112.9
131L36.8Very low46.6Very low168 Ų168120.4 Ų120.488%0.8871%0.711SS**  trans-107.5101.4142.2-88.798.8000107.5
132M38.2Very low44.9Very low162 Ų162123.2 Ų123.280%0.79873%0.728SS**  trans-54150.7142.5-58.8-65.8-171.700107.2
133P42.5Very low43.6Very low122 Ų122125.3 Ų125.379%0.79275%0.748SS**  -130.4131.199.816.42.6000112.2
134A46.4Very low42.4Very low81 Ų81125.8 Ų125.867%0.66977%0.766SS**  trans-55.5163.8144.200000110.1
135E34.2Very low41.4Very low185 Ų185128.9 Ų128.986%0.86478%0.777SS**  trans96.892.6178.4-49.9-144.1120.400113.1
136L35.5Very low40.7Very low153 Ų153129.7 Ų129.780%0.80179%0.787SS**  49.783.562.3-159.469000111.4
137V42.3Very low39.8Very low137 Ų137128.5 Ų128.583%0.8379%0.79SS**  trans25.2101.4136.2-173.70000115.7
138A32.1Very low39Very low99 Ų99133.9 Ų133.982%0.81880%0.802SS**  trans-148.298.8147.300000110
139C32.5Very low38.9Very low125 Ų125136.6 Ų136.685%0.84582%0.815SS**  trans-79.6143.8148.2-66.60000106.5
140P41Very low38.5Very low115 Ų115134.9 Ų134.975%0.74781%0.814SS**  -139.9158.65132.2-11.1000116.4T142P140-T142 PolarHBondContact O-N 2.78Å
141L37Very low38Very low174 Ų174132.9 Ų132.991%0.91181%0.813SS**  trans-56.3124.4160.2-72.3152.8000110.5
142T37.3Very low38.2Very low128 Ų128133.1 Ų133.179%0.78581%0.81SS**  trans-156.8133.9144.2-14.80000110.3P140P140-T142 PolarHBondContact O-N 2.78Å
143D40.2Very low38.4Very low162 Ų162134 Ų13487%0.86681%0.809SS**  trans-54.3141.4-174.4-57.2-77.2000114.9
144A35.4Very low38.4Very low102 Ų102139 Ų13984%0.84381%0.812SS**  trans-156.7113.3148.900000111.7
145Q34.2Very low38.3Very low185 Ų185140 Ų14086%0.86482%0.82SS**  trans-57.5151.1167.9-81-114.4-29.100114.3
146S36.3Very low38.8Very low117 Ų117138.2 Ų138.282%0.81882%0.816SS**  trans68.4121.6132.2-166.30000119.8
147G33.7Very low39.6Very low70 Ų70138.7 Ų138.772%0.72282%0.818SS**  trans147.2103.6140.800000118.5
148K38Very low39.9Very low201 Ų201136.7 Ų136.787%0.87482%0.816SS**  84.896.3129.3-126.5169-173174.20120.9
149V45.9Very low40.4Very low140 Ų140138.8 Ų138.885%0.84882%0.819SS**  25.8119.9119.2-168.10000119.4
150A40Very low40.9Very low97 Ų97136.2 Ų136.280%0.80281%0.813SS**  169.2123.2129.700000106.4
151G38.8Very low40.9Very low68 Ų68135.1 Ų135.170%0.70181%0.814SS**  101.9126.251.200000108.8
152Q40.2Very low41.3Very low173 Ų173135.7 Ų135.781%0.80881%0.812SS**  trans92.2142.4164-54.7173.7-1800117.5
153K41.9Very low41.9Very low179 Ų179135.7 Ų135.778%0.77881%0.807SS**  cis-165.4148.7-14.3-107.6164.5-175.4-179.80105.5
154R44.3Very low42.4Very low227 Ų227139.3 Ų139.386%0.85781%0.808SS**  trans-36145.5167.9-72.3161.5120.8-178.3-1.7114.9
155A42.5Very low43Very low102 Ų102143.7 Ų143.784%0.84381%0.808SS**  trans-149.598.7136.900000110.3
156L44.8Very low43.6Very low148 Ų148146.2 Ų146.278%0.77581%0.81SS**  trans-78.1127.5154.9-78.3151.7000106.9
157I52.5Low44Very low163 Ų163144.4 Ų144.484%0.83680%0.802SS**  trans-149.1110.9147.838.2172.2000109.1
158A48.7Very low44.6Very low96 Ų96151.8 Ų151.879%0.79381%0.808SS**  trans-83.8135.3160.900000108.5
159T42.6Very low44.9Very low143 Ų143149.4 Ų149.488%0.87781%0.805SS**  trans-168138.8153.25.60000112.5
160G42.9Very low44.9Very low71 Ų71158 Ų15873%0.73282%0.823SS**  trans92.493157.300000114.2
161A42.3Very low45.1Very low91 Ų91161.1 Ų161.175%0.75282%0.824SS**  61127.358.200000114.5
162Q45.6Very low45.5Very low187 Ų187165.9 Ų165.987%0.87483%0.83SS**  trans81.7136.2168.3-54.5176-63.900114.7
163D48.9Very low45.8Very low128 Ų128165.6 Ų165.668%0.68483%0.831SS**  cis-155.7140.133.3-156.3-27.7000111.5
164R50.5Low46Very low237 Ų237164.8 Ų164.889%0.89483%0.834SS**  trans-90120.6168.8-79.8176.5169.9177.2-2.6107.1
165K49.2Very low46.1Very low194 Ų194160.9 Ų160.984%0.84383%0.833SS**  trans-125.7103.1154.3-76.4-171.4-179.5174.40111.8
166R47Very low46.4Very low238 Ų238164.8 Ų164.890%0.89883%0.832SS**  trans-84.5143.7161.3-168.8179.8-171.6-138.62.6108.1
167A44.3Very low46.5Very low79 Ų79166 Ų16665%0.65384%0.836SS**  trans61.2120.9150.400000120.8
168R45.9Very low46Very low225 Ų225166.2 Ų166.285%0.84984%0.836SS**  -169.7118.1118.6-109.7174.5-87.3-176.7-8.1107.4
169D44.7Very low45.8Very low151 Ų151172.1 Ų172.181%0.80784%0.84SS**  59.397.691-57.4-37.3000112.2
170W45.3Very low46.1Very low321 Ų321174.7 Ų174.7100%1.21684%0.837SS**  trans-165.30135.6125.9-89.2000107.9

Retrieved 170 of 170 residues in 918.5 ms (Link to these results)