A0A087X0C7_HUMAN Loading...

MAGUK p55 scaffold protein 2

AlphaFold DB , UniProt , Accession A0A087X0C7, Species HUMAN (Homo sapiens, Human), Gene MPP2, Length 112 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low56.4Low229 Ų22993.6 Ų93.6100%1.12857%0.569SS**  0950-61.7-72.3-8500107.5
2P41.3Very low58.5Low132 Ų13287.8 Ų87.886%0.85753%0.532SS*.  trans-84.1133.2173.532.8-25.9000109.1
3V45.8Very low60.4Low119 Ų11988 Ų8872%0.72152%0.523SS*.  trans-80.7119.9179.8-77.70000109.1A5V3-A5 PolarHBondContact O-N 3.23Å
4A48.8Very low62.1Low82 Ų8290.5 Ų90.568%0.67853%0.527SS*.SBendtrans-72.443.8178.700000113.3
5A51.8Low63.5Low54 Ų5488.5 Ų88.545%0.44652%0.516SS..  trans-108.31.6-172.700000114.2V3V3-A5 PolarHBondContact O-N 3.23Å
6T55.8Low64.9Low85 Ų8583.8 Ų83.852%0.52149%0.488SS..Hα-helixtrans-87.7-25.8-162.7520000115.2T10T6-T10 WeakPolarHBondContact O-CB 3.28Å; T6-T10 WeakPolarHBondContact O-CG2 3.4Å; T6-T10 PolarHBondContact O-N 3.07Å; T6-T10 PolarHBondContact O-OG1 3.1Å
7N61.6Low66.1Low82 Ų8284.2 Ų84.244%0.43949%0.488SS..Hα-helixtrans-81.9-44.5-166.8-62.1-11.4000112.6E9 T10 A11 E53N7-E9 PolarHBondContact O-N 3.19Å; N7-T10 WeakPolarHBondContact CA-OG1 3.33Å; N7-T10 PolarHBondContact O-N 3.38Å; N7-T10 PolarHBondContact O-OG1 3.34Å; N7-A11 WeakPolarHBondContact O-CB 3.35Å; N7-A11 PolarHBondContact O-N 3.37Å; N7-E53 WeakPolarHBondContact CB-OE1 3.45Å
8S63Low67.1Low12 Ų1285.1 Ų85.18%0.08449%0.491CS..Hα-helixtrans-63.6-41.5175.7-122.10000114T10 M12 A49 K50 E53S8-T10 VanDerWaalsContact C-N 3.29Å; S8-M12 WeakPolarHBondContact O-CB 3.37Å; S8-M12 PolarHBondContact O-N 3.08Å; S8-A49 PolarHBondContact OG-O 2.66Å; S8-K50 WeakPolarHBondContact OG-CA 3.42Å; S8-K50 PolarHBondContact OG-N 3.48Å; S8-E53 WeakPolarHBondContact CA-OE2 3.27Å; S8-E53 WeakPolarHBondContact CB-OE2 3.22Å; S8-E53 PolarHBondContact N-OE1 3.02Å; S8-E53 PolarHBondContact N-OE2 3.19Å; S8-E53 PolarHBondContact OG-OE2 3.1Å
9E67.1Low67.9Low108 Ų10882.1 Ų82.151%0.50547%0.472SS..Hα-helixtrans-64.8-39.5177.9-70-169.8161.400110.4N7 Q13 K50N7-E9 PolarHBondContact O-N 3.19Å; E9-Q13 WeakPolarHBondContact O-CB 3.24Å; E9-Q13 PolarHBondContact O-N 3.12Å; E9-K50 WeakPolarHBondContact OE1-CE 3.37Å; E9-K50 IonicContact OE1-NZ 2.81Å; E9-K50 PolarHBondContact OE1-NZ 3.37Å
10T73.1Confident68.2Low78 Ų7881 Ų8148%0.47948%0.48SS..Hα-helixtrans-71.4-41.9177.141.40000112.7T6 N7 S8 Q13 Q14T6-T10 WeakPolarHBondContact O-CB 3.28Å; T6-T10 WeakPolarHBondContact O-CG2 3.4Å; T6-T10 PolarHBondContact O-N 3.07Å; T6-T10 PolarHBondContact O-OG1 3.1Å; N7-T10 WeakPolarHBondContact CA-OG1 3.33Å; N7-T10 PolarHBondContact O-N 3.38Å; N7-T10 PolarHBondContact O-OG1 3.34Å; S8-T10 VanDerWaalsContact C-N 3.29Å; T10-Q13 PolarHBondContact O-N 2.85Å; T10-Q14 WeakPolarHBondContact O-CB 3.43Å; T10-Q14 VanDerWaalsContact O-CG 3.23Å; T10-Q14 WeakPolarHBondContact O-CG 3.38Å; T10-Q14 PolarHBondContact O-N 3.36Å
11A78.4Confident68.5Low49 Ų4981 Ų8141%0.40548%0.484SS..Hα-helixtrans-65-44.9177.100000112.3N7 Q14 V15N7-A11 WeakPolarHBondContact O-CB 3.35Å; N7-A11 PolarHBondContact O-N 3.37Å; A11-Q14 WeakPolarHBondContact O-CB 3.25Å; A11-Q14 PolarHBondContact O-N 3.49Å; A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 3.15Å
12M81.6Confident70.3Confident24 Ų2473.7 Ų73.712%0.11845%0.449CS..Hα-helixtrans-66.6-38.5177.2-174.363.566.200111.7S8 V15 L16 M40 V45 R46 A49S8-M12 WeakPolarHBondContact O-CB 3.37Å; S8-M12 PolarHBondContact O-N 3.08Å; M12-V15 PolarHBondContact O-N 2.86Å; M12-L16 WeakPolarHBondContact O-CG 3.48Å; M12-L16 PolarHBondContact O-N 3.14Å; M12-L16 VanDerWaalsContact O-N 3.08Å; M12-M40 HydrophobicContact CE-CE 3.86Å; M12-M40 HydrophobicContact SD-CB 4.24Å; M12-M40 HydrophobicContact SD-CE 3.22Å; M12-M40 WeakPolarHBondContact SD-CE 3.34Å; M12-M40 HydrophobicContact SD-SD 4.04Å; M12-V45 HydrophobicContact CE-CG1 4.34Å; M12-R46 HydrophobicContact CG-CG 4.17Å; M12-A49 HydrophobicContact CE-CB 3.54Å
13Q82.6Confident71.3Confident90 Ų9071.4 Ų71.442%0.42143%0.434SS..Hα-helixtrans-64.5-41.7174.8-170.760.451.200111.3E9 T10 V15 L16 D17E9-Q13 WeakPolarHBondContact O-CB 3.24Å; E9-Q13 PolarHBondContact O-N 3.12Å; T10-Q13 PolarHBondContact O-N 2.85Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 3.44Å; Q13-L16 PolarHBondContact O-N 2.99Å; Q13-D17 PolarHBondContact NE2-OD1 2.81Å; Q13-D17 WeakPolarHBondContact O-CB 3.26Å; Q13-D17 PolarHBondContact O-N 3.37Å
14Q84.1Confident71.9Confident123 Ų12372 Ų7258%0.57544%0.444SS*.Hα-helixtrans-59.9-40.4174.1-76.5172.7-4.300112.4T10 A11 D17 N18T10-Q14 WeakPolarHBondContact O-CB 3.43Å; T10-Q14 VanDerWaalsContact O-CG 3.23Å; T10-Q14 WeakPolarHBondContact O-CG 3.38Å; T10-Q14 PolarHBondContact O-N 3.36Å; A11-Q14 WeakPolarHBondContact O-CB 3.25Å; A11-Q14 PolarHBondContact O-N 3.49Å; Q14-D17 PolarHBondContact O-N 3.13Å; Q14-N18 WeakPolarHBondContact O-CB 3.43Å; Q14-N18 PolarHBondContact O-N 3.49Å; Q14-N18 PolarHBondContact O-ND2 2.8Å
15V83.8Confident72.2Confident60 Ų6072.5 Ų72.536%0.36445%0.448SS..Hα-helixtrans-64.5-41.3175.6176.90000111.4A11 M12 Q13 N18 L19 M40A11-V15 WeakPolarHBondContact O-CG2 3.39Å; A11-V15 PolarHBondContact O-N 3.15Å; M12-V15 PolarHBondContact O-N 2.86Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 3.44Å; V15-N18 PolarHBondContact O-N 3.39Å; V15-L19 HydrophobicContact CG1-CD1 4.18Å; V15-L19 HydrophobicContact CG1-CG 4.43Å; V15-L19 VanDerWaalsContact O-CG 3.3Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 2.94Å; V15-M40 HydrophobicContact CB-CE 4.04Å; V15-M40 HydrophobicContact CG1-CE 3.52Å; V15-M40 HydrophobicContact CG2-CE 4.48Å
16L85.2Confident72.6Confident13 Ų1373 Ų737%0.06845%0.446CS..Hα-helixtrans-65.6-40.4176.7-71.8169.4000112.5M12 Q13 N18 L19 G20 R37 M40 E41M12-L16 WeakPolarHBondContact O-CG 3.48Å; M12-L16 PolarHBondContact O-N 3.14Å; M12-L16 VanDerWaalsContact O-N 3.08Å; Q13-L16 PolarHBondContact O-N 2.99Å; L16-N18 VanDerWaalsContact C-N 3.33Å; L16-L19 PolarHBondContact O-N 3.27Å; L16-G20 PolarHBondContact O-N 3.41Å; L16-R37 HydrophobicContact CD2-CG 4.18Å; L16-M40 HydrophobicContact CD2-CB 3.56Å; L16-M40 HydrophobicContact CG-CB 4.28Å; L16-E41 HydrophobicContact CD1-CG 4.26Å; L16-E41 HydrophobicContact CD2-CG 3.78Å
17D85.7Confident72.8Confident91 Ų9172.7 Ų72.749%0.48746%0.46SS..Hα-helixtrans-66.4-38.2176.6-64.3-16.6000111Q13 Q14 G20 S21Q13-D17 PolarHBondContact NE2-OD1 2.81Å; Q13-D17 WeakPolarHBondContact O-CB 3.26Å; Q13-D17 PolarHBondContact O-N 3.37Å; Q14-D17 PolarHBondContact O-N 3.13Å; D17-G20 PolarHBondContact O-N 2.97Å; D17-S21 WeakPolarHBondContact O-CB 3.5Å; D17-S21 PolarHBondContact O-N 2.75Å; D17-S21 VanDerWaalsContact O-N 3.12Å; D17-S21 PolarHBondContact O-OG 3.31Å
18N84.1Confident73.1Confident100 Ų10070.9 Ų70.954%0.53546%0.456SS..Hα-helixtrans-64.1-47.4172.8-71.2-22.5000111Q14 V15 L16 G20 S21 L22Q14-N18 WeakPolarHBondContact O-CB 3.43Å; Q14-N18 PolarHBondContact O-N 3.49Å; Q14-N18 PolarHBondContact O-ND2 2.8Å; V15-N18 PolarHBondContact O-N 3.39Å; L16-N18 VanDerWaalsContact C-N 3.33Å; N18-G20 VanDerWaalsContact C-N 3.27Å; N18-G20 PolarHBondContact O-N 3.06Å; N18-S21 WeakPolarHBondContact CA-OG 3.29Å; N18-S21 PolarHBondContact O-N 3.22Å; N18-S21 PolarHBondContact O-OG 2.98Å; N18-L22 WeakPolarHBondContact O-CG 3.37Å; N18-L22 PolarHBondContact O-N 2.83Å; N18-L22 VanDerWaalsContact O-N 3.09Å
19L82.3Confident73.6Confident28 Ų2872.8 Ų72.815%0.14747%0.472CS..Hα-helixtrans-59.6-36.5176.7-73172.2000112.5V15 L16 S21 L22 L36 M40V15-L19 HydrophobicContact CG1-CD1 4.18Å; V15-L19 HydrophobicContact CG1-CG 4.43Å; V15-L19 VanDerWaalsContact O-CG 3.3Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.27Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-L22 HydrophobicContact CD2-CD1 4Å; L19-L36 HydrophobicContact CD1-CD2 4.43Å; L19-L36 HydrophobicContact CD1-CG 4.14Å; L19-L36 HydrophobicContact CD2-CD2 3.7Å; L19-L36 HydrophobicContact CD2-CG 4.25Å; L19-M40 HydrophobicContact CD1-CG 4.18Å
20G74.9Confident74.1Confident60 Ų6075.1 Ų75.162%0.61948%0.483SS*.Hα-helixtrans-73.8-19176.400000114.7L16 D17 N18L16-G20 PolarHBondContact O-N 3.41Å; D17-G20 PolarHBondContact O-N 2.97Å; N18-G20 VanDerWaalsContact C-N 3.27Å; N18-G20 PolarHBondContact O-N 3.06Å
21S73.6Confident74.6Confident82 Ų8277.8 Ų77.857%0.57349%0.494SS*.Hα-helixtrans-104.2-3.2-178.957.10000114D17 N18 L19 P23D17-S21 WeakPolarHBondContact O-CB 3.5Å; D17-S21 PolarHBondContact O-N 2.75Å; D17-S21 VanDerWaalsContact O-N 3.12Å; D17-S21 PolarHBondContact O-OG 3.31Å; N18-S21 WeakPolarHBondContact CA-OG 3.29Å; N18-S21 PolarHBondContact O-N 3.22Å; N18-S21 PolarHBondContact O-OG 2.98Å; L19-S21 VanDerWaalsContact C-N 3.32Å; S21-P23 WeakPolarHBondContact O-CD 3.49Å
22L71.1Confident74.9Confident76 Ų7679.9 Ų79.940%0.39850%0.498SS..  trans-61.1125174.4-72.1172.9000109.8N18 L19 T26 L33N18-L22 WeakPolarHBondContact O-CG 3.37Å; N18-L22 PolarHBondContact O-N 2.83Å; N18-L22 VanDerWaalsContact O-N 3.09Å; L19-L22 HydrophobicContact CD2-CD1 4Å; L22-T26 HydrophobicContact CB-CG2 4.3Å; L22-T26 HydrophobicContact CD2-CG2 4.12Å; L22-L33 HydrophobicContact CD1-CD2 3.97Å
23P63.7Low75Confident83 Ų8380.7 Ų80.754%0.53950%0.503SS..  trans-63.9145.9174.623.4-29.1000109.6S21 A25 T26S21-P23 WeakPolarHBondContact O-CD 3.49Å; P23-A25 PolarHBondContact O-N 3.38Å; P23-T26 HydrophobicContact CG-CG2 4.23Å; P23-T26 WeakPolarHBondContact O-CG2 3.33Å; P23-T26 PolarHBondContact O-N 2.77Å; P23-T26 VanDerWaalsContact O-N 3.13Å; P23-T26 PolarHBondContact O-OG1 3.41Å; P23-T26 VanDerWaalsContact O-OG1 3.08Å
24S58.1Low75.1Confident131 Ų13181.7 Ų81.792%0.91651%0.51SS*.THydrogen-bonded Turntrans-57-4.7174.5-35.70000113.9
25A54.1Low75.3Confident93 Ų9382.4 Ų82.477%0.76951%0.511SS*.THydrogen-bonded Turntrans-92.55-18000000114.2P23 G27P23-A25 PolarHBondContact O-N 3.38Å; A25-G27 PolarHBondContact O-N 3.44Å; A25-G27 VanDerWaalsContact O-N 3.13Å
26T59.7Low75.5Confident65 Ų6583.3 Ų83.340%0.39951%0.514SS..SBendtrans-71.10.5-178.143.30000114.7L22 P23 A28L22-T26 HydrophobicContact CB-CG2 4.3Å; L22-T26 HydrophobicContact CD2-CG2 4.12Å; P23-T26 HydrophobicContact CG-CG2 4.23Å; P23-T26 WeakPolarHBondContact O-CG2 3.33Å; P23-T26 PolarHBondContact O-N 2.77Å; P23-T26 VanDerWaalsContact O-N 3.13Å; P23-T26 PolarHBondContact O-OG1 3.41Å; P23-T26 VanDerWaalsContact O-OG1 3.08Å; T26-A28 PolarHBondContact O-N 3.23Å
27G61.6Low75.5Confident79 Ų7988.5 Ų88.581%0.81453%0.532SS*.SBendtrans70.4-6.4178.600000114.5A25A25-G27 PolarHBondContact O-N 3.44Å; A25-G27 VanDerWaalsContact O-N 3.13Å
28A66.9Low75.7Confident44 Ų4486.1 Ų86.136%0.36453%0.529SS..SBendtrans-73.4141.7167.600000109.8T26 E30 L33T26-A28 PolarHBondContact O-N 3.23Å; A28-E30 PolarHBondContact O-N 3Å; A28-L33 HydrophobicContact CB-CD1 4.32Å; A28-L33 HydrophobicContact CB-CD2 4.1Å; A28-L33 HydrophobicContact CB-CG 4.08Å
29A74.1Confident76Confident52 Ų5284.5 Ų84.543%0.4352%0.52SS..  trans-65.4134.8172.900000109.1L31 D32 L33A29-L31 PolarHBondContact O-N 3.34Å; A29-L31 VanDerWaalsContact O-N 3.1Å; A29-D32 WeakPolarHBondContact CB-OD2 3.47Å; A29-D32 WeakPolarHBondContact O-CB 3.48Å; A29-D32 PolarHBondContact O-N 2.95Å; A29-L33 PolarHBondContact O-N 3.44Å
30E77.1Confident76.2Confident156 Ų15684.8 Ų84.873%0.72952%0.521SS*.Hα-helixtrans-52.9-35179.4-174.7177.5-17700112.1A28 D32 L33 I34A28-E30 PolarHBondContact O-N 3Å; E30-D32 VanDerWaalsContact C-N 3.35Å; E30-D32 PolarHBondContact O-N 3.48Å; E30-L33 PolarHBondContact O-N 2.88Å; E30-I34 HydrophobicContact CG-CD1 4.15Å; E30-I34 VanDerWaalsContact O-CG1 3.29Å; E30-I34 WeakPolarHBondContact O-CG1 3.42Å; E30-I34 PolarHBondContact O-N 3.39Å
31L83.6Confident76.8Confident134 Ų13485.8 Ų85.870%0.70251%0.51SS*.Hα-helixtrans-61.1-40.2175.4-166.3106.8000112.8A29 I34 F35A29-L31 PolarHBondContact O-N 3.34Å; A29-L31 VanDerWaalsContact O-N 3.1Å; L31-I34 PolarHBondContact O-N 3.08Å; L31-F35 WeakPolarHBondContact O-CB 3.41Å; L31-F35 PolarHBondContact O-N 2.96Å
32D84.3Confident77.7Confident94 Ų9483.5 Ų83.550%0.50349%0.494SS..Hα-helixtrans-70-36.9-179.4-62.2-28.1000110.9A29 E30 F35 L36A29-D32 WeakPolarHBondContact CB-OD2 3.47Å; A29-D32 WeakPolarHBondContact O-CB 3.48Å; A29-D32 PolarHBondContact O-N 2.95Å; E30-D32 VanDerWaalsContact C-N 3.35Å; E30-D32 PolarHBondContact O-N 3.48Å; D32-F35 PolarHBondContact O-N 3.4Å; D32-L36 VanDerWaalsContact O-CB 3.27Å; D32-L36 WeakPolarHBondContact O-CB 3.4Å; D32-L36 PolarHBondContact O-N 2.95Å
33L84.3Confident78.4Confident40 Ų4084.4 Ų84.421%0.20950%0.504CS..Hα-helixtrans-67.3-40.7175.5-65.4177.9000111.6L22 A28 A29 E30 F35 R37L22-L33 HydrophobicContact CD1-CD2 3.97Å; A28-L33 HydrophobicContact CB-CD1 4.32Å; A28-L33 HydrophobicContact CB-CD2 4.1Å; A28-L33 HydrophobicContact CB-CG 4.08Å; A29-L33 PolarHBondContact O-N 3.44Å; E30-L33 PolarHBondContact O-N 2.88Å; L33-F35 VanDerWaalsContact C-N 3.35Å; L33-R37 VanDerWaalsContact O-CB 3.27Å; L33-R37 WeakPolarHBondContact O-CB 3.42Å; L33-R37 PolarHBondContact O-N 3.31Å
34I84.1Confident79.6Confident111 Ų11186.1 Ų86.157%0.56951%0.508SS*.Hα-helixtrans-62.1-45173.3-68.3164.9000110.3E30 L31 R37 G38E30-I34 HydrophobicContact CG-CD1 4.15Å; E30-I34 VanDerWaalsContact O-CG1 3.29Å; E30-I34 WeakPolarHBondContact O-CG1 3.42Å; E30-I34 PolarHBondContact O-N 3.39Å; L31-I34 PolarHBondContact O-N 3.08Å; I34-R37 PolarHBondContact O-N 2.72Å; I34-G38 PolarHBondContact O-N 3.38Å
35F88.1Confident81Confident138 Ų13881.9 Ų81.961%0.60548%0.476SS*.Hα-helixtrans-64.5-47179.3-176-106.7000112L31 D32 L33 R37 G38 I39L31-F35 WeakPolarHBondContact O-CB 3.41Å; L31-F35 PolarHBondContact O-N 2.96Å; D32-F35 PolarHBondContact O-N 3.4Å; L33-F35 VanDerWaalsContact C-N 3.35Å; F35-R37 VanDerWaalsContact C-N 3.33Å; F35-R37 PolarHBondContact O-N 3.26Å; F35-G38 PolarHBondContact O-N 3.11Å; F35-G38 VanDerWaalsContact O-N 3.14Å; F35-I39 HydrophobicContact CD1-CD1 3.73Å; F35-I39 HydrophobicContact CD1-CG1 4.44Å; F35-I39 HydrophobicContact CE1-CD1 3.21Å; F35-I39 HydrophobicContact CE1-CG1 4.13Å; F35-I39 HydrophobicContact CE2-CD1 4.46Å; F35-I39 HydrophobicContact CZ-CD1 3.63Å; F35-I39 HydrophobicContact CZ-CG1 4.23Å; F35-I39 PolarHBondContact O-N 3.15Å
36L88.1Confident82.5Confident79 Ų7981.9 Ų81.941%0.41446%0.456SS..Hα-helixtrans-60.4-44.1177.5-17759000111.2L19 D32 G38 I39 M40L19-L36 HydrophobicContact CD1-CD2 4.43Å; L19-L36 HydrophobicContact CD1-CG 4.14Å; L19-L36 HydrophobicContact CD2-CD2 3.7Å; L19-L36 HydrophobicContact CD2-CG 4.25Å; D32-L36 VanDerWaalsContact O-CB 3.27Å; D32-L36 WeakPolarHBondContact O-CB 3.4Å; D32-L36 PolarHBondContact O-N 2.95Å; L36-G38 VanDerWaalsContact C-N 3.34Å; L36-G38 PolarHBondContact O-N 3.33Å; L36-I39 PolarHBondContact O-N 2.76Å; L36-M40 HydrophobicContact CD1-CG 4.46Å; L36-M40 VanDerWaalsContact O-CG 3.27Å; L36-M40 WeakPolarHBondContact O-CG 3.33Å; L36-M40 PolarHBondContact O-N 3.34Å
37R86.8Confident83.7Confident122 Ų12282.4 Ų82.446%0.4646%0.462SS..Hα-helixtrans-59.3-45.2173.7-176.7179.2170.8-168.9-1.8111.6L16 L33 I34 F35 I39 M40 E41L16-R37 HydrophobicContact CD2-CG 4.18Å; L33-R37 VanDerWaalsContact O-CB 3.27Å; L33-R37 WeakPolarHBondContact O-CB 3.42Å; L33-R37 PolarHBondContact O-N 3.31Å; I34-R37 PolarHBondContact O-N 2.72Å; F35-R37 VanDerWaalsContact C-N 3.33Å; F35-R37 PolarHBondContact O-N 3.26Å; R37-I39 VanDerWaalsContact C-N 3.33Å; R37-I39 PolarHBondContact O-N 3.41Å; R37-M40 PolarHBondContact O-N 3.18Å; R37-M40 VanDerWaalsContact O-N 3.16Å; R37-E41 HydrophobicContact CG-CG 4.39Å; R37-E41 IonicContact CZ-OE1 3.92Å; R37-E41 IonicContact NE-OE1 3.95Å; R37-E41 PolarHBondContact NE-OE1 2.96Å; R37-E41 IonicContact NH2-OE1 3.37Å; R37-E41 PolarHBondContact NH2-OE1 3.32Å; R37-E41 WeakPolarHBondContact O-CB 3.43Å; R37-E41 WeakPolarHBondContact O-CG 3.34Å; R37-E41 PolarHBondContact O-N 3.11Å
38G88.8Confident84.8Confident41 Ų4184 Ų8442%0.42345%0.451SS..Hα-helixtrans-60.7-38.9176.500000113.3I34 F35 L36 S42I34-G38 PolarHBondContact O-N 3.38Å; F35-G38 PolarHBondContact O-N 3.11Å; F35-G38 VanDerWaalsContact O-N 3.14Å; L36-G38 VanDerWaalsContact C-N 3.34Å; L36-G38 PolarHBondContact O-N 3.33Å; G38-S42 PolarHBondContact O-N 2.88Å
39I90.4Very high85.6Confident66 Ų6683.2 Ų83.234%0.33845%0.445SS..Hα-helixtrans-62.9-46.4172.7-71.9177.8000110.6F35 L36 R37 E41 S42 V45F35-I39 HydrophobicContact CD1-CD1 3.73Å; F35-I39 HydrophobicContact CD1-CG1 4.44Å; F35-I39 HydrophobicContact CE1-CD1 3.21Å; F35-I39 HydrophobicContact CE1-CG1 4.13Å; F35-I39 HydrophobicContact CE2-CD1 4.46Å; F35-I39 HydrophobicContact CZ-CD1 3.63Å; F35-I39 HydrophobicContact CZ-CG1 4.23Å; F35-I39 PolarHBondContact O-N 3.15Å; L36-I39 PolarHBondContact O-N 2.76Å; R37-I39 VanDerWaalsContact C-N 3.33Å; R37-I39 PolarHBondContact O-N 3.41Å; I39-E41 VanDerWaalsContact C-N 3.32Å; I39-E41 PolarHBondContact O-N 3.38Å; I39-S42 WeakPolarHBondContact O-CB 3.4Å; I39-S42 PolarHBondContact O-N 3.39Å; I39-S42 VanDerWaalsContact O-N 3.08Å; I39-V45 HydrophobicContact CG2-CG2 3.94Å; I39-V45 WeakPolarHBondContact O-CB 3.41Å; I39-V45 WeakPolarHBondContact O-CG2 3.41Å
40M86.7Confident85.9Confident34 Ų3484.5 Ų84.517%0.16744%0.441CS..Hα-helixtrans-70.6-26.4-177.9-64.3-58.5-85.900113.3M12 V15 L16 L19 L36 R37 S42 V45 R46M12-M40 HydrophobicContact CE-CE 3.86Å; M12-M40 HydrophobicContact SD-CB 4.24Å; M12-M40 HydrophobicContact SD-CE 3.22Å; M12-M40 WeakPolarHBondContact SD-CE 3.34Å; M12-M40 HydrophobicContact SD-SD 4.04Å; V15-M40 HydrophobicContact CB-CE 4.04Å; V15-M40 HydrophobicContact CG1-CE 3.52Å; V15-M40 HydrophobicContact CG2-CE 4.48Å; L16-M40 HydrophobicContact CD2-CB 3.56Å; L16-M40 HydrophobicContact CG-CB 4.28Å; L19-M40 HydrophobicContact CD1-CG 4.18Å; L36-M40 HydrophobicContact CD1-CG 4.46Å; L36-M40 VanDerWaalsContact O-CG 3.27Å; L36-M40 WeakPolarHBondContact O-CG 3.33Å; L36-M40 PolarHBondContact O-N 3.34Å; R37-M40 PolarHBondContact O-N 3.18Å; R37-M40 VanDerWaalsContact O-N 3.16Å; M40-S42 VanDerWaalsContact C-N 3.29Å; M40-V45 HydrophobicContact SD-CG1 4.29Å; M40-R46 PolarHBondContact O-NE 3.38Å
41E88.7Confident86Confident81 Ų8179.4 Ų79.438%0.37943%0.426SS..Hα-helixtrans-77.7-14.5171.6-71.6176.8170.700112.7L16 R37 I39L16-E41 HydrophobicContact CD1-CG 4.26Å; L16-E41 HydrophobicContact CD2-CG 3.78Å; R37-E41 HydrophobicContact CG-CG 4.39Å; R37-E41 IonicContact CZ-OE1 3.92Å; R37-E41 IonicContact NE-OE1 3.95Å; R37-E41 PolarHBondContact NE-OE1 2.96Å; R37-E41 IonicContact NH2-OE1 3.37Å; R37-E41 PolarHBondContact NH2-OE1 3.32Å; R37-E41 WeakPolarHBondContact O-CB 3.43Å; R37-E41 WeakPolarHBondContact O-CG 3.34Å; R37-E41 PolarHBondContact O-N 3.11Å; I39-E41 VanDerWaalsContact C-N 3.32Å; I39-E41 PolarHBondContact O-N 3.38Å
42S91.4Very high85.6Confident34 Ų3478.5 Ų78.524%0.23842%0.418CS..  trans-59.6128.5-179.2178.30000111.7G38 I39 M40 I44 V45 R46G38-S42 PolarHBondContact O-N 2.88Å; I39-S42 WeakPolarHBondContact O-CB 3.4Å; I39-S42 PolarHBondContact O-N 3.39Å; I39-S42 VanDerWaalsContact O-N 3.08Å; M40-S42 VanDerWaalsContact C-N 3.29Å; S42-I44 PolarHBondContact O-N 3.45Å; S42-I44 PolarHBondContact OG-N 3.46Å; S42-V45 PolarHBondContact O-N 3.46Å; S42-V45 VanDerWaalsContact O-N 3.15Å; S42-R46 WeakPolarHBondContact O-CG 3.44Å; S42-R46 PolarHBondContact O-N 3.01Å
43P85.7Confident84.9Confident96 Ų9676.3 Ų76.362%0.62341%0.405SS*.Hα-helixtrans-61.9-26.5177.424.1-32.5000112.5S47P43-S47 WeakPolarHBondContact O-CB 3.33Å; P43-S47 PolarHBondContact O-N 2.84Å; P43-S47 PolarHBondContact O-OG 3.43Å
44I89.1Confident84.2Confident119 Ų11983.5 Ų83.561%0.6143%0.429SS*.Hα-helixtrans-68.2-49.8175.9-60174.9000110S42 R46 S47 L48S42-I44 PolarHBondContact O-N 3.45Å; S42-I44 PolarHBondContact OG-N 3.46Å; I44-R46 VanDerWaalsContact C-N 3.34Å; I44-R46 PolarHBondContact O-N 3.47Å; I44-S47 PolarHBondContact O-N 2.89Å; I44-S47 VanDerWaalsContact O-N 3.16Å; I44-L48 HydrophobicContact CG2-CD1 4.08Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 3.14Å
45V88.1Confident83.2Confident41 Ų4184.6 Ų84.625%0.24844%0.435CS..Hα-helixtrans-63.7-42-179.9174.20000110.8M12 I39 M40 S42 S47 L48 A49M12-V45 HydrophobicContact CE-CG1 4.34Å; I39-V45 HydrophobicContact CG2-CG2 3.94Å; I39-V45 WeakPolarHBondContact O-CB 3.41Å; I39-V45 WeakPolarHBondContact O-CG2 3.41Å; M40-V45 HydrophobicContact SD-CG1 4.29Å; S42-V45 PolarHBondContact O-N 3.46Å; S42-V45 VanDerWaalsContact O-N 3.15Å; V45-S47 VanDerWaalsContact C-N 3.31Å; V45-S47 PolarHBondContact O-N 3.22Å; V45-L48 PolarHBondContact O-N 3.05Å; V45-A49 WeakPolarHBondContact O-CB 3.49Å; V45-A49 PolarHBondContact O-N 2.95Å
46R84.3Confident81.9Confident93 Ų9383.7 Ų83.735%0.35143%0.433SS..Hα-helixtrans-61.1-39.2174.1-70.2-179.6170.6-167-4.3112.7M12 M40 S42 I44 K50M12-R46 HydrophobicContact CG-CG 4.17Å; M40-R46 PolarHBondContact O-NE 3.38Å; S42-R46 WeakPolarHBondContact O-CG 3.44Å; S42-R46 PolarHBondContact O-N 3.01Å; I44-R46 VanDerWaalsContact C-N 3.34Å; I44-R46 PolarHBondContact O-N 3.47Å; R46-K50 WeakPolarHBondContact O-CG 3.5Å; R46-K50 PolarHBondContact O-N 3.17Å
47S85.7Confident80.4Confident76 Ų7685.6 Ų85.653%0.53144%0.439SS..Hα-helixtrans-70-38.6177.4-59.20000111.9P43 I44 V45 A51P43-S47 WeakPolarHBondContact O-CB 3.33Å; P43-S47 PolarHBondContact O-N 2.84Å; P43-S47 PolarHBondContact O-OG 3.43Å; I44-S47 PolarHBondContact O-N 2.89Å; I44-S47 VanDerWaalsContact O-N 3.16Å; V45-S47 VanDerWaalsContact C-N 3.31Å; V45-S47 PolarHBondContact O-N 3.22Å; S47-A51 WeakPolarHBondContact O-CB 3.4Å; S47-A51 PolarHBondContact O-N 3.32Å
48L85.2Confident79Confident112 Ų11284.7 Ų84.759%0.58645%0.448SS*.Hα-helixtrans-65.8-44.2175.3-74.1169.9000112.1I44 V45 K50 A51 H52I44-L48 HydrophobicContact CG2-CD1 4.08Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 3.14Å; V45-L48 PolarHBondContact O-N 3.05Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 2.92Å; L48-A51 PolarHBondContact O-N 3.28Å; L48-A51 VanDerWaalsContact O-N 3.15Å; L48-H52 WeakPolarHBondContact O-CB 3.45Å; L48-H52 PolarHBondContact O-N 3.37Å
49A83Confident77.8Confident28 Ų2891.3 Ų91.323%0.23147%0.465CS..Hα-helixtrans-58.7-45.4176.300000111.7S8 M12 V45 A51 H52 E53S8-A49 PolarHBondContact OG-O 2.66Å; M12-A49 HydrophobicContact CE-CB 3.54Å; V45-A49 WeakPolarHBondContact O-CB 3.49Å; V45-A49 PolarHBondContact O-N 2.95Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.31Å; A49-H52 PolarHBondContact O-N 3.33Å; A49-E53 PolarHBondContact O-N 2.97Å
50K81.3Confident76.8Confident79 Ų7995.9 Ų95.934%0.34349%0.489SS..Hα-helixtrans-61.1-40.2174.1-74.8175.2177.4-172.50113S8 E9 R46 L48 R54S8-K50 WeakPolarHBondContact OG-CA 3.42Å; S8-K50 PolarHBondContact OG-N 3.48Å; E9-K50 WeakPolarHBondContact OE1-CE 3.37Å; E9-K50 IonicContact OE1-NZ 2.81Å; E9-K50 PolarHBondContact OE1-NZ 3.37Å; R46-K50 WeakPolarHBondContact O-CG 3.5Å; R46-K50 PolarHBondContact O-N 3.17Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 2.92Å; K50-R54 VanDerWaalsContact O-CG 3.28Å; K50-R54 WeakPolarHBondContact O-CG 3.41Å; K50-R54 PolarHBondContact O-N 3.2Å
51A79.3Confident76.5Confident49 Ų49102.1 Ų102.141%0.40552%0.518SS..Hα-helixtrans-68.5-38.9178.300000111.5S47 L48 A49 L55S47-A51 WeakPolarHBondContact O-CB 3.4Å; S47-A51 PolarHBondContact O-N 3.32Å; L48-A51 PolarHBondContact O-N 3.28Å; L48-A51 VanDerWaalsContact O-N 3.15Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 3.04Å
52H75.2Confident76.2Confident115 Ų115100.6 Ų100.653%0.53252%0.519SS..Hα-helixtrans-65.3-49179-170.856.9000111.9L48 A49 R54 L55 E56L48-H52 WeakPolarHBondContact O-CB 3.45Å; L48-H52 PolarHBondContact O-N 3.37Å; A49-H52 PolarHBondContact O-N 3.33Å; H52-R54 VanDerWaalsContact C-N 3.34Å; H52-R54 PolarHBondContact O-N 3.23Å; H52-L55 WeakPolarHBondContact O-CA 2.81Å; H52-L55 WeakPolarHBondContact O-CB 2.97Å; H52-L55 PolarHBondContact O-N 3.01Å; H52-E56 IonicContact CD2-OE1 3Å; H52-E56 IonicContact CE1-OE1 2.64Å; H52-E56 IonicContact NE2-OE1 3.33Å; H52-E56 PolarHBondContact NE2-OE1 3.01Å; H52-E56 PolarHBondContact O-N 3.12Å; H52-E56 VanDerWaalsContact O-N 3.1Å
53E69.5Low75.8Confident49 Ų49106.1 Ų106.123%0.22955%0.551CS.*Hα-helixtrans-63.7-38.3180-170.9-178.4-159.600112.5N7 S8 A49 L55 E56 E57N7-E53 WeakPolarHBondContact CB-OE1 3.45Å; S8-E53 WeakPolarHBondContact CA-OE2 3.27Å; S8-E53 WeakPolarHBondContact CB-OE2 3.22Å; S8-E53 PolarHBondContact N-OE1 3.02Å; S8-E53 PolarHBondContact N-OE2 3.19Å; S8-E53 PolarHBondContact OG-OE2 3.1Å; A49-E53 PolarHBondContact O-N 2.97Å; E53-L55 PolarHBondContact O-N 3.47Å; E53-E56 PolarHBondContact O-N 2.88Å; E53-E57 PolarHBondContact O-N 3.45Å
54R68.7Low75.6Confident190 Ų190107.3 Ų107.372%0.71754%0.543SS*.Hα-helixtrans-62.3-24173.8-74.9179.870.1-177.41.6113.4K50 H52K50-R54 VanDerWaalsContact O-CG 3.28Å; K50-R54 WeakPolarHBondContact O-CG 3.41Å; K50-R54 PolarHBondContact O-N 3.2Å; H52-R54 VanDerWaalsContact C-N 3.34Å; H52-R54 PolarHBondContact O-N 3.23Å
55L62.5Low75.4Confident135 Ų135106 Ų10671%0.70754%0.537SS*.Hα-helixtrans-85.7-25.5174.6-67167.7000111.7A51 H52 E53A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 3.04Å; H52-L55 WeakPolarHBondContact O-CA 2.81Å; H52-L55 WeakPolarHBondContact O-CB 2.97Å; H52-L55 PolarHBondContact O-N 3.01Å; E53-L55 PolarHBondContact O-N 3.47Å
56E61.5Low75.5Confident119 Ų119108 Ų10856%0.55655%0.547SS*.Hα-helixtrans-78-28.2177.9-69.9-170.2147.900113.9H52 E53 T58 K59H52-E56 IonicContact CD2-OE1 3Å; H52-E56 IonicContact CE1-OE1 2.64Å; H52-E56 IonicContact NE2-OE1 3.33Å; H52-E56 PolarHBondContact NE2-OE1 3.01Å; H52-E56 PolarHBondContact O-N 3.12Å; H52-E56 VanDerWaalsContact O-N 3.1Å; E53-E56 PolarHBondContact O-N 2.88Å; E56-T58 PolarHBondContact O-N 2.74Å; E56-T58 VanDerWaalsContact O-N 3.15Å; E56-K59 PolarHBondContact O-N 3.1Å
57E57.3Low75.9Confident118 Ų118104.3 Ų104.355%0.55153%0.534SS*.THydrogen-bonded Turntrans-63.8-19.1-177.4-77.9-174.5168.100114.3E53E53-E57 PolarHBondContact O-N 3.45Å
58T57Low76.3Confident104 Ų104102.7 Ų102.764%0.63852%0.519SS*.THydrogen-bonded Turntrans-114.863175.451.10000110.8E56 L60E56-T58 PolarHBondContact O-N 2.74Å; E56-T58 VanDerWaalsContact O-N 3.15Å; T58-L60 VanDerWaalsContact C-N 3.27Å; T58-L60 PolarHBondContact O-N 3.05Å
59K62.3Low76.7Confident179 Ų179102.2 Ų102.278%0.77851%0.514SS*.  trans-71.187.6170.5-162.4178.5-177.7-174.40109.5E56E56-K59 PolarHBondContact O-N 3.1Å
60L71.4Confident77.2Confident163 Ų163103.2 Ų103.285%0.85352%0.515SS*.PPolyproline II helixtrans-76.4123.6167.5-70.9162.4000107.6T58T58-L60 VanDerWaalsContact C-N 3.27Å; T58-L60 PolarHBondContact O-N 3.05Å
61E78.5Confident77.9Confident165 Ų16599.9 Ų99.977%0.77150%0.501SS*.PPolyproline II helixtrans-83.5130.3173.4-65-174.1166.900109.1V63E61-V63 PolarHBondContact O-N 3.46Å
62A82.6Confident78.6Confident48 Ų48103.4 Ų103.440%0.39751%0.509SS..PPolyproline II helixtrans-64130.3172.800000109R64 A111A62-R64 PolarHBondContact O-N 2.88Å; A62-A111 HydrophobicContact CB-CB 3.47Å; A62-A111 VanDerWaalsContact CB-CB 3.47Å
63V83.1Confident79.5Confident150 Ų150101.8 Ų101.891%0.90950%0.502SS*.SBendtrans-63.6-30.9177.1178.30000110.9E61E61-V63 PolarHBondContact O-N 3.46Å
64R82.3Confident80.8Confident121 Ų121102.2 Ų102.246%0.45751%0.505SS..  trans-164.7164.7172.164.3174.5-168.7-134.3-9.2110.2A62 N67 H107A62-R64 PolarHBondContact O-N 2.88Å; R64-N67 PolarHBondContact NE-OD1 3.01Å; R64-N67 PolarHBondContact NH2-OD1 3.37Å; R64-N67 PolarHBondContact O-ND2 3.13Å; R64-H107 PolarHBondContact O-CE1 3.18Å
65D85.3Confident82Confident92 Ų9294.6 Ų94.649%0.49248%0.479SS..SBendtrans-97.6-177.7164555.8000110.8N67 A111D65-N67 VanDerWaalsContact C-N 3.35Å; D65-N67 PolarHBondContact O-N 3.15Å; D65-A111 HydrophobicContact CB-CB 4.2Å
66N90.5Very high83.6Confident83 Ų8395.6 Ų95.644%0.44447%0.473SS..  trans60.237.7172.3-151.842.3000114.7L68 E69 L70 D108N66-L68 PolarHBondContact O-N 3.04Å; N66-E69 PolarHBondContact ND2-OE2 3Å; N66-E69 PolarHBondContact O-N 3.1Å; N66-L70 PolarHBondContact O-N 2.75Å; N66-D108 WeakPolarHBondContact CA-OD2 3.28Å; N66-D108 PolarHBondContact N-OD1 3.17Å
67N92.8Very high85.1Confident15 Ų1594.4 Ų94.48%0.0847%0.47CS..Hα-helixtrans-65.6-27.3177.6-67.8-80.4000112.9R64 D65 L70 V71 L104 H107 D108R64-N67 PolarHBondContact NE-OD1 3.01Å; R64-N67 PolarHBondContact NH2-OD1 3.37Å; R64-N67 PolarHBondContact O-ND2 3.13Å; D65-N67 VanDerWaalsContact C-N 3.35Å; D65-N67 PolarHBondContact O-N 3.15Å; N67-L70 PolarHBondContact O-N 2.77Å; N67-V71 PolarHBondContact O-N 3.13Å; N67-L104 HydrophobicContact CB-CD2 3.93Å; N67-H107 PolarHBondContact ND2-CE1 3.08Å; N67-H107 VanDerWaalsContact ND2-CE1 3.34Å; N67-H107 PolarHBondContact ND2-ND1 3Å; N67-H107 VanDerWaalsContact ND2-ND1 3.18Å; N67-D108 WeakPolarHBondContact CB-OD1 3.33Å; N67-D108 VanDerWaalsContact N-CG 3.27Å; N67-D108 PolarHBondContact N-OD1 3.35Å; N67-D108 PolarHBondContact N-OD2 3.18Å; N67-D108 PolarHBondContact ND2-OD1 3.41Å
68L92.5Very high86.9Confident42 Ų4289.7 Ų89.722%0.2245%0.449CS..Hα-helixtrans-62.6-43.6177.3-150.580.2000111.8N66 V71 Q72 Q101 L104 E105 D108N66-L68 PolarHBondContact O-N 3.04Å; L68-V71 PolarHBondContact O-N 2.81Å; L68-Q72 WeakPolarHBondContact O-CG 3.43Å; L68-Q72 PolarHBondContact O-N 3.43Å; L68-Q72 VanDerWaalsContact O-N 3.15Å; L68-Q101 VanDerWaalsContact CD1-OE1 3.25Å; L68-L104 HydrophobicContact CD1-CB 4.13Å; L68-E105 HydrophobicContact CD1-CG 3.84Å; L68-E105 HydrophobicContact CD2-CG 4.36Å; L68-D108 PolarHBondContact N-OD2 3.16Å
69E93.3Very high88.5Confident102 Ų10287.6 Ų87.648%0.47744%0.442SS..Hα-helixtrans-63.8-44.3176.7-173.2169.5-172.500110.5N66 V71 Q72 E73N66-E69 PolarHBondContact ND2-OE2 3Å; N66-E69 PolarHBondContact O-N 3.1Å; E69-V71 VanDerWaalsContact C-N 3.33Å; E69-V71 PolarHBondContact O-N 3.08Å; E69-Q72 WeakPolarHBondContact O-CB 3.27Å; E69-Q72 PolarHBondContact O-N 3.28Å; E69-Q72 VanDerWaalsContact O-N 3.12Å; E69-E73 PolarHBondContact O-N 3.38Å; E69-E73 VanDerWaalsContact O-N 3.08Å
70L94.1Very high89.8Confident50 Ų5086.2 Ų86.226%0.26244%0.439SS..Hα-helixtrans-61.2-42.1176.7-175.373.6000112.2N66 N67 Q72 E73 I74N66-L70 PolarHBondContact O-N 2.75Å; N67-L70 PolarHBondContact O-N 2.77Å; L70-Q72 PolarHBondContact O-N 3.48Å; L70-E73 WeakPolarHBondContact O-CB 3.46Å; L70-E73 PolarHBondContact O-N 3.21Å; L70-E73 VanDerWaalsContact O-N 3.1Å; L70-I74 HydrophobicContact CD1-CG1 4.49Å; L70-I74 HydrophobicContact CD2-CD1 3.87Å; L70-I74 HydrophobicContact CG-CD1 3.76Å; L70-I74 HydrophobicContact CG-CG1 4.12Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 3.44Å
71V95.3Very high90.8Very high9 Ų983 Ų836%0.05542%0.422CS..Hα-helixtrans-61.7-36.3178.2165.70000111.2N67 L68 E69 E73 I74 L75 L95 L104N67-V71 PolarHBondContact O-N 3.13Å; L68-V71 PolarHBondContact O-N 2.81Å; E69-V71 VanDerWaalsContact C-N 3.33Å; E69-V71 PolarHBondContact O-N 3.08Å; V71-E73 VanDerWaalsContact C-N 3.34Å; V71-E73 PolarHBondContact O-N 3.28Å; V71-I74 PolarHBondContact O-N 2.9Å; V71-L75 HydrophobicContact CG1-CD1 3.98Å; V71-L75 HydrophobicContact CG1-CG 4.22Å; V71-L75 WeakPolarHBondContact O-CB 3.33Å; V71-L75 VanDerWaalsContact O-CG 3.24Å; V71-L75 WeakPolarHBondContact O-CG 3.42Å; V71-L75 PolarHBondContact O-N 3.44Å; V71-L95 HydrophobicContact CG1-CB 4.08Å; V71-L95 HydrophobicContact CG1-CD2 4.46Å; V71-L95 HydrophobicContact CG2-CD2 4.29Å; V71-L104 HydrophobicContact CB-CD1 4.21Å; V71-L104 HydrophobicContact CG2-CD1 3.45Å; V71-L104 VanDerWaalsContact CG2-CD1 3.45Å
72Q94.2Very high91.4Very high122 Ų12276.7 Ų76.757%0.5740%0.398SS*.Hα-helixtrans-63.4-39.6173.7-67176.814.400112.2L68 E69 L70 L75 R76L68-Q72 WeakPolarHBondContact O-CG 3.43Å; L68-Q72 PolarHBondContact O-N 3.43Å; L68-Q72 VanDerWaalsContact O-N 3.15Å; E69-Q72 WeakPolarHBondContact O-CB 3.27Å; E69-Q72 PolarHBondContact O-N 3.28Å; E69-Q72 VanDerWaalsContact O-N 3.12Å; L70-Q72 PolarHBondContact O-N 3.48Å; Q72-L75 PolarHBondContact O-N 3.19Å; Q72-R76 PolarHBondContact O-N 3.05Å; Q72-R76 VanDerWaalsContact O-N 3.13Å
73E95.8Very high91.6Very high81 Ų8183 Ų8338%0.37942%0.419SS..Hα-helixtrans-64.3-47.1173.6-62.9-169.4146.200112E69 L70 V71 L75 R76 D77E69-E73 PolarHBondContact O-N 3.38Å; E69-E73 VanDerWaalsContact O-N 3.08Å; L70-E73 WeakPolarHBondContact O-CB 3.46Å; L70-E73 PolarHBondContact O-N 3.21Å; L70-E73 VanDerWaalsContact O-N 3.1Å; V71-E73 VanDerWaalsContact C-N 3.34Å; V71-E73 PolarHBondContact O-N 3.28Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 3.15Å; E73-R76 WeakPolarHBondContact O-CB 3.33Å; E73-R76 PolarHBondContact O-N 3.3Å; E73-R76 VanDerWaalsContact O-N 3.14Å; E73-D77 PolarHBondContact O-N 2.89Å; E73-D77 VanDerWaalsContact O-N 3.07Å
74I95.1Very high92.1Very high58 Ų5884.1 Ų84.130%0.29741%0.414SS..Hα-helixtrans-58.7-43.2177.3-69.4168.4000110.6L70 V71 R76 D77 L78 L95L70-I74 HydrophobicContact CD1-CG1 4.49Å; L70-I74 HydrophobicContact CD2-CD1 3.87Å; L70-I74 HydrophobicContact CG-CD1 3.76Å; L70-I74 HydrophobicContact CG-CG1 4.12Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 3.44Å; V71-I74 PolarHBondContact O-N 2.9Å; I74-R76 VanDerWaalsContact C-N 3.32Å; I74-R76 PolarHBondContact O-N 3.35Å; I74-D77 PolarHBondContact O-N 3.46Å; I74-L78 HydrophobicContact CG2-CD1 3.61Å; I74-L78 HydrophobicContact CG2-CG 4.01Å; I74-L78 WeakPolarHBondContact O-CB 3.44Å; I74-L78 VanDerWaalsContact O-CG 3.28Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 2.87Å; I74-L95 HydrophobicContact CG2-CD1 3.76Å
75L95.6Very high92.7Very high31 Ų3180.6 Ų80.616%0.16241%0.408CS..Hα-helixtrans-63.7-37.4178.6-76.2175.8000112.2V71 Q72 E73 D77 A79 A92 L95 Q96V71-L75 HydrophobicContact CG1-CD1 3.98Å; V71-L75 HydrophobicContact CG1-CG 4.22Å; V71-L75 WeakPolarHBondContact O-CB 3.33Å; V71-L75 VanDerWaalsContact O-CG 3.24Å; V71-L75 WeakPolarHBondContact O-CG 3.42Å; V71-L75 PolarHBondContact O-N 3.44Å; Q72-L75 PolarHBondContact O-N 3.19Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 3.15Å; L75-D77 VanDerWaalsContact C-N 3.33Å; L75-A79 PolarHBondContact O-N 3Å; L75-A92 HydrophobicContact CD2-CB 3.86Å; L75-L95 HydrophobicContact CD2-CB 3.96Å; L75-L95 HydrophobicContact CD2-CD1 4.24Å; L75-L95 HydrophobicContact CG-CB 4.43Å; L75-Q96 HydrophobicContact CD1-CG 3.66Å; L75-Q96 HydrophobicContact CD2-CG 4.03Å
76R94.9Very high93.1Very high155 Ų15581 Ų8159%0.58542%0.418SS*.Hα-helixtrans-63.5-40.7174.7-179.3176.262.9-151.1-4.8111.5Q72 E73 I74Q72-R76 PolarHBondContact O-N 3.05Å; Q72-R76 VanDerWaalsContact O-N 3.13Å; E73-R76 WeakPolarHBondContact O-CB 3.33Å; E73-R76 PolarHBondContact O-N 3.3Å; E73-R76 VanDerWaalsContact O-N 3.14Å; I74-R76 VanDerWaalsContact C-N 3.32Å; I74-R76 PolarHBondContact O-N 3.35Å
77D93.8Very high93.3Very high94 Ų9481.4 Ų81.450%0.50342%0.424SS..Hα-helixtrans-73.3-40.6179-65.9-9.6000111.4E73 I74 L75 A79 Q80E73-D77 PolarHBondContact O-N 2.89Å; E73-D77 VanDerWaalsContact O-N 3.07Å; I74-D77 PolarHBondContact O-N 3.46Å; L75-D77 VanDerWaalsContact C-N 3.33Å; D77-A79 VanDerWaalsContact C-N 3.29Å; D77-A79 PolarHBondContact O-N 3.36Å; D77-Q80 PolarHBondContact O-N 3.03Å
78L94Very high93.4Very high19 Ų1981.1 Ų81.110%0.09942%0.424CS..Hα-helixtrans-65.7-29.4176.7-75.6176.2000112.8I74 Q80 L81 A82 A88 L91 A92 L95I74-L78 HydrophobicContact CG2-CD1 3.61Å; I74-L78 HydrophobicContact CG2-CG 4.01Å; I74-L78 WeakPolarHBondContact O-CB 3.44Å; I74-L78 VanDerWaalsContact O-CG 3.28Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 2.87Å; L78-Q80 PolarHBondContact O-N 2.88Å; L78-L81 HydrophobicContact CD2-CD1 4.4Å; L78-L81 CarbonylContact O-C 3.55Å; L78-L81 PolarHBondContact O-N 3.1Å; L78-A82 WeakPolarHBondContact O-CB 3.23Å; L78-A82 PolarHBondContact O-N 2.83Å; L78-A88 HydrophobicContact CD2-CB 4.03Å; L78-L91 HydrophobicContact CD1-CB 4.35Å; L78-L91 HydrophobicContact CD1-CD2 3.83Å; L78-L91 HydrophobicContact CD1-CG 3.88Å; L78-L91 HydrophobicContact CD2-CD2 4.31Å; L78-A92 HydrophobicContact CB-CB 4.42Å; L78-A92 HydrophobicContact CD1-CB 4.32Å; L78-L95 HydrophobicContact CD1-CD1 4.04Å
79A90.6Very high93.5Very high60 Ų6081.1 Ų81.150%0.49643%0.43SS..Hα-helixtrans-55.9-35.5178.600000112.3L75 D77 L81L75-A79 PolarHBondContact O-N 3Å; D77-A79 VanDerWaalsContact C-N 3.29Å; D77-A79 PolarHBondContact O-N 3.36Å; A79-L81 VanDerWaalsContact C-N 3.34Å
80Q90.7Very high93.7Very high151 Ų15182.1 Ų82.171%0.70643%0.434SS*.Hα-helixtrans-73.6-27.5177.5-57.5-17817.300112.6D77 L78D77-Q80 PolarHBondContact O-N 3.03Å; L78-Q80 PolarHBondContact O-N 2.88Å
81L91.9Very high93.8Very high95 Ų9583.5 Ų83.550%0.49744%0.441SS..Hα-helixtrans-91.5-24.8-177.1-65.5165.8000112.5L78 A79 E83 Q84 S85 A88L78-L81 HydrophobicContact CD2-CD1 4.4Å; L78-L81 CarbonylContact O-C 3.55Å; L78-L81 PolarHBondContact O-N 3.1Å; A79-L81 VanDerWaalsContact C-N 3.34Å; L81-E83 PolarHBondContact O-N 2.91Å; L81-Q84 PolarHBondContact O-N 3.42Å; L81-S85 PolarHBondContact O-N 2.91Å; L81-A88 HydrophobicContact CB-CB 3.91Å
82A90.1Very high93.8Very high32 Ų3283.6 Ų83.626%0.26444%0.443SS..Hα-helixtrans-63.4-26.9-177.100000113L78 Q84 A89L78-A82 WeakPolarHBondContact O-CB 3.23Å; L78-A82 PolarHBondContact O-N 2.83Å; A82-Q84 VanDerWaalsContact C-N 3.25Å; A82-Q84 PolarHBondContact O-N 2.85Å; A82-A89 HydrophobicContact CB-CB 4.12Å
83E88.6Confident93.9Very high180 Ų18083.7 Ų83.784%0.84144%0.443SS*.THydrogen-bonded Turntrans-68.7-25.3175.2-63.6-162.4166.300113.1L81L81-E83 PolarHBondContact O-N 2.91Å
84Q91.9Very high94Very high175 Ų17583 Ų8382%0.81844%0.442SS*.THydrogen-bonded Turntrans-111.5-15.3-172.3-59.8179.514.700112.9L81 A82L81-Q84 PolarHBondContact O-N 3.42Å; A82-Q84 VanDerWaalsContact C-N 3.25Å; A82-Q84 PolarHBondContact O-N 2.85Å
85S94.8Very high94Very high47 Ų4781 Ų8133%0.32943%0.432SS..  trans-135.8115.8-175175.40000111L81 T87 A88 A89L81-S85 PolarHBondContact O-N 2.91Å; S85-T87 PolarHBondContact O-N 2.64Å; S85-T87 PolarHBondContact OG-N 3.43Å; S85-A88 PolarHBondContact O-N 3.45Å; S85-A88 VanDerWaalsContact O-N 3.15Å; S85-A88 PolarHBondContact OG-N 2.91Å; S85-A89 PolarHBondContact O-N 3.28Å; S85-A89 VanDerWaalsContact O-N 3.08Å
86S94.4Very high94Very high99 Ų9985.1 Ų85.169%0.69245%0.45SS*.Hα-helixtrans-60.3-32.717358.80000112A89 E90S86-A89 PolarHBondContact O-N 3.09Å; S86-E90 WeakPolarHBondContact O-CB 3.44Å; S86-E90 PolarHBondContact O-N 3.07Å
87T95.7Very high94.1Very high93 Ų9381.5 Ų81.557%0.57144%0.44SS*.Hα-helixtrans-68-38.4176.5-53.40000111.8S85 E90 L91S85-T87 PolarHBondContact O-N 2.64Å; S85-T87 PolarHBondContact OG-N 3.43Å; T87-E90 PolarHBondContact O-N 3.12Å; T87-L91 WeakPolarHBondContact O-CB 3.48Å; T87-L91 PolarHBondContact O-N 3.25Å
88A94.8Very high94.3Very high9 Ų981.3 Ų81.37%0.07444%0.444CS..Hα-helixtrans-67.1-39.3175.200000111.3L78 L81 S85 A92L78-A88 HydrophobicContact CD2-CB 4.03Å; L81-A88 HydrophobicContact CB-CB 3.91Å; S85-A88 PolarHBondContact O-N 3.45Å; S85-A88 VanDerWaalsContact O-N 3.15Å; S85-A88 PolarHBondContact OG-N 2.91Å; A88-A92 WeakPolarHBondContact O-CB 3.41Å; A88-A92 PolarHBondContact O-N 2.89Å
89A94.5Very high94.4Very high42 Ų4287.5 Ų87.535%0.34747%0.472SS..Hα-helixtrans-64.5-42.4174.400000112.3A82 S85 S86 A92 H93A82-A89 HydrophobicContact CB-CB 4.12Å; S85-A89 PolarHBondContact O-N 3.28Å; S85-A89 VanDerWaalsContact O-N 3.08Å; S86-A89 PolarHBondContact O-N 3.09Å; A89-A92 PolarHBondContact O-N 3.38Å; A89-H93 WeakPolarHBondContact O-CB 3.49Å; A89-H93 PolarHBondContact O-N 3.08Å
90E96.8Very high94.7Very high123 Ų12387.7 Ų87.758%0.57546%0.462SS*.Hα-helixtrans-63.7-45.1176.3-174.8178.1-164.800111.6S86 T87 A92 H93 I94S86-E90 WeakPolarHBondContact O-CB 3.44Å; S86-E90 PolarHBondContact O-N 3.07Å; T87-E90 PolarHBondContact O-N 3.12Å; E90-A92 PolarHBondContact O-N 2.87Å; E90-H93 WeakPolarHBondContact O-CB 3.4Å; E90-H93 PolarHBondContact O-N 3.31Å; E90-I94 HydrophobicContact CG-CD1 4.18Å; E90-I94 WeakPolarHBondContact O-CG1 3.48Å; E90-I94 PolarHBondContact O-N 3.4Å
91L96.4Very high94.9Very high78 Ų7882.5 Ų82.541%0.40844%0.437SS..Hα-helixtrans-61.4-45.3175.6179.660.2000111.4L78 T87 H93 I94 L95L78-L91 HydrophobicContact CD1-CB 4.35Å; L78-L91 HydrophobicContact CD1-CD2 3.83Å; L78-L91 HydrophobicContact CD1-CG 3.88Å; L78-L91 HydrophobicContact CD2-CD2 4.31Å; T87-L91 WeakPolarHBondContact O-CB 3.48Å; T87-L91 PolarHBondContact O-N 3.25Å; L91-H93 PolarHBondContact O-N 2.96Å; L91-I94 PolarHBondContact O-N 3.33Å; L91-L95 HydrophobicContact CD1-CD1 4.2Å; L91-L95 HydrophobicContact CD1-CG 4.07Å; L91-L95 HydrophobicContact CG-CD1 4.05Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 2.96Å; L91-L95 VanDerWaalsContact O-CG 3.25Å; L91-L95 WeakPolarHBondContact O-CG 3.3Å; L91-L95 PolarHBondContact O-N 3.4Å
92A95.5Very high95.1Very high12 Ų1280.9 Ų80.910%0.09943%0.434CS..Hα-helixtrans-60.2-36.4176.500000111.9L75 L78 A88 A89 E90 Q96L75-A92 HydrophobicContact CD2-CB 3.86Å; L78-A92 HydrophobicContact CB-CB 4.42Å; L78-A92 HydrophobicContact CD1-CB 4.32Å; A88-A92 WeakPolarHBondContact O-CB 3.41Å; A88-A92 PolarHBondContact O-N 2.89Å; A89-A92 PolarHBondContact O-N 3.38Å; E90-A92 PolarHBondContact O-N 2.87Å; A92-Q96 VanDerWaalsContact O-CG 3.26Å; A92-Q96 WeakPolarHBondContact O-CG 3.43Å; A92-Q96 PolarHBondContact O-N 3.18Å
93H96.1Very high95.4Very high123 Ų12384.7 Ų84.757%0.56945%0.449SS*.Hα-helixtrans-65.3-51.3175.7-170.257.4000111.9A89 E90 L91 L95 Q96 E97A89-H93 WeakPolarHBondContact O-CB 3.49Å; A89-H93 PolarHBondContact O-N 3.08Å; E90-H93 WeakPolarHBondContact O-CB 3.4Å; E90-H93 PolarHBondContact O-N 3.31Å; L91-H93 PolarHBondContact O-N 2.96Å; H93-L95 VanDerWaalsContact C-N 3.31Å; H93-L95 PolarHBondContact O-N 3.33Å; H93-Q96 PolarHBondContact O-N 3.05Å; H93-E97 PolarHBondContact O-N 2.99Å
94I96.9Very high95.7Very high68 Ų6877.1 Ų77.135%0.34941%0.414SS..Hα-helixtrans-57.6-44.9178.4-67.5166.3000110.9E90 L91 Q96 E97 F100E90-I94 HydrophobicContact CG-CD1 4.18Å; E90-I94 WeakPolarHBondContact O-CG1 3.48Å; E90-I94 PolarHBondContact O-N 3.4Å; L91-I94 PolarHBondContact O-N 3.33Å; I94-Q96 PolarHBondContact O-N 3.32Å; I94-E97 WeakPolarHBondContact O-CB 3.18Å; I94-E97 PolarHBondContact O-N 2.93Å; I94-E97 VanDerWaalsContact O-N 3.1Å; I94-F100 HydrophobicContact CG2-CD2 4.47Å; I94-F100 WeakPolarHBondContact O-CB 3.11Å
95L96.3Very high95.8Very high15 Ų1573.9 Ų73.98%0.07940%0.399CS..Hα-helixtrans-63.2-25.4179.5-70.5178.9000112.6V71 I74 L75 L78 L91 H93 F100 Q101V71-L95 HydrophobicContact CG1-CB 4.08Å; V71-L95 HydrophobicContact CG1-CD2 4.46Å; V71-L95 HydrophobicContact CG2-CD2 4.29Å; I74-L95 HydrophobicContact CG2-CD1 3.76Å; L75-L95 HydrophobicContact CD2-CB 3.96Å; L75-L95 HydrophobicContact CD2-CD1 4.24Å; L75-L95 HydrophobicContact CG-CB 4.43Å; L78-L95 HydrophobicContact CD1-CD1 4.04Å; L91-L95 HydrophobicContact CD1-CD1 4.2Å; L91-L95 HydrophobicContact CD1-CG 4.07Å; L91-L95 HydrophobicContact CG-CD1 4.05Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 2.96Å; L91-L95 VanDerWaalsContact O-CG 3.25Å; L91-L95 WeakPolarHBondContact O-CG 3.3Å; L91-L95 PolarHBondContact O-N 3.4Å; H93-L95 VanDerWaalsContact C-N 3.31Å; H93-L95 PolarHBondContact O-N 3.33Å; L95-F100 HydrophobicContact CD2-CD1 3.98Å; L95-F100 HydrophobicContact CD2-CE1 3.29Å; L95-F100 HydrophobicContact CD2-CZ 3.77Å; L95-Q101 PolarHBondContact O-NE2 3.41Å
96Q95.6Very high95.8Very high118 Ų11875.7 Ų75.755%0.55141%0.409SS*.Hα-helixtrans-90.8-7.5177.5-70172.930.600113.5L75 A92 H93 I94L75-Q96 HydrophobicContact CD1-CG 3.66Å; L75-Q96 HydrophobicContact CD2-CG 4.03Å; A92-Q96 VanDerWaalsContact O-CG 3.26Å; A92-Q96 WeakPolarHBondContact O-CG 3.43Å; A92-Q96 PolarHBondContact O-N 3.18Å; H93-Q96 PolarHBondContact O-N 3.05Å; I94-Q96 PolarHBondContact O-N 3.32Å
97E97.8Very high95.7Very high78 Ų7874.6 Ų74.636%0.36439%0.392SS..SBendtrans-62.8140-179.7-72.8-171.8165.500111.4H93 I94 H99 F100 Q101H93-E97 PolarHBondContact O-N 2.99Å; I94-E97 WeakPolarHBondContact O-CB 3.18Å; I94-E97 PolarHBondContact O-N 2.93Å; I94-E97 VanDerWaalsContact O-N 3.1Å; E97-H99 PolarHBondContact O-N 3.4Å; E97-F100 HydrophobicContact CB-CB 4.43Å; E97-F100 PolarHBondContact O-N 3.38Å; E97-Q101 PolarHBondContact O-N 3.44Å
98P96.3Very high95.6Very high90 Ų9071.2 Ų71.258%0.58437%0.371SS*.Hα-helixtrans-59.9-35.6-174.823.2-33.8000112.3F100 Q101 S102P98-F100 VanDerWaalsContact C-N 3.35Å; P98-Q101 PolarHBondContact O-N 3.46Å; P98-S102 WeakPolarHBondContact O-CB 3.27Å; P98-S102 PolarHBondContact O-N 3.03Å; P98-S102 PolarHBondContact O-OG 2.92Å; P98-S102 VanDerWaalsContact O-OG 3.1Å
99H96.7Very high95.4Very high150 Ų15075 Ų7569%0.69440%0.397SS*.Hα-helixtrans-67.6-36.7178.3-57.8-48000112.2E97 L103E97-H99 PolarHBondContact O-N 3.4Å; H99-L103 WeakPolarHBondContact O-CB 3.44Å; H99-L103 PolarHBondContact O-N 3.14Å
100F96.1Very high95.1Very high64 Ų6478.6 Ų78.628%0.28141%0.414SS..Hα-helixtrans-70.9-42.3177.6-162.8-93.9000111I94 L95 E97 P98 L103 L104I94-F100 HydrophobicContact CG2-CD2 4.47Å; I94-F100 WeakPolarHBondContact O-CB 3.11Å; L95-F100 HydrophobicContact CD2-CD1 3.98Å; L95-F100 HydrophobicContact CD2-CE1 3.29Å; L95-F100 HydrophobicContact CD2-CZ 3.77Å; E97-F100 HydrophobicContact CB-CB 4.43Å; E97-F100 PolarHBondContact O-N 3.38Å; P98-F100 VanDerWaalsContact C-N 3.35Å; F100-L103 WeakPolarHBondContact O-CB 3.41Å; F100-L103 PolarHBondContact O-N 2.94Å; F100-L104 HydrophobicContact CD1-CD1 3.94Å; F100-L104 HydrophobicContact CD1-CG 4.29Å; F100-L104 HydrophobicContact CE1-CD1 3.6Å; F100-L104 HydrophobicContact CE1-CG 4.05Å; F100-L104 PolarHBondContact O-N 2.93Å
101Q96.1Very high94.7Very high42 Ų4274.3 Ų74.320%0.19640%0.399CS..Hα-helixtrans-60.9-48.2174.5-68.8-69.2-35.800111.5L68 L95 E97 P98 L103 L104 E105L68-Q101 VanDerWaalsContact CD1-OE1 3.25Å; L95-Q101 PolarHBondContact O-NE2 3.41Å; E97-Q101 PolarHBondContact O-N 3.44Å; P98-Q101 PolarHBondContact O-N 3.46Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 3.42Å; Q101-L104 PolarHBondContact O-N 3.46Å; Q101-L104 VanDerWaalsContact O-N 3.14Å; Q101-E105 WeakPolarHBondContact O-CG 3.29Å; Q101-E105 PolarHBondContact O-N 3.43Å
102S96.6Very high93.8Very high60 Ų6077 Ų7742%0.4243%0.425SS..Hα-helixtrans-60.3-36.3175.7-68.20000113.4P98 T106P98-S102 WeakPolarHBondContact O-CB 3.27Å; P98-S102 PolarHBondContact O-N 3.03Å; P98-S102 PolarHBondContact O-OG 2.92Å; P98-S102 VanDerWaalsContact O-OG 3.1Å; S102-T106 WeakPolarHBondContact O-CB 3.48Å; S102-T106 PolarHBondContact O-N 3.16Å; S102-T106 PolarHBondContact O-OG1 3.42Å
103L95.9Very high93.7Very high112 Ų11280.3 Ų80.359%0.58644%0.441SS*.Hα-helixtrans-64.1-44.6175.217964.8000111.3H99 F100 Q101 T106 H107H99-L103 WeakPolarHBondContact O-CB 3.44Å; H99-L103 PolarHBondContact O-N 3.14Å; F100-L103 WeakPolarHBondContact O-CB 3.41Å; F100-L103 PolarHBondContact O-N 2.94Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 3.42Å; L103-T106 PolarHBondContact O-N 2.97Å; L103-H107 WeakPolarHBondContact O-CB 3.38Å; L103-H107 PolarHBondContact O-N 3.25Å
104L94.7Very high93.6Very high21 Ų2178.1 Ų78.111%0.1144%0.435CS..Hα-helixtrans-68.6-42178.3-70.2-177.4000112.8N67 L68 V71 F100 Q101 T106 H107 D108N67-L104 HydrophobicContact CB-CD2 3.93Å; L68-L104 HydrophobicContact CD1-CB 4.13Å; V71-L104 HydrophobicContact CB-CD1 4.21Å; V71-L104 HydrophobicContact CG2-CD1 3.45Å; V71-L104 VanDerWaalsContact CG2-CD1 3.45Å; F100-L104 HydrophobicContact CD1-CD1 3.94Å; F100-L104 HydrophobicContact CD1-CG 4.29Å; F100-L104 HydrophobicContact CE1-CD1 3.6Å; F100-L104 HydrophobicContact CE1-CG 4.05Å; F100-L104 PolarHBondContact O-N 2.93Å; Q101-L104 PolarHBondContact O-N 3.46Å; Q101-L104 VanDerWaalsContact O-N 3.14Å; L104-T106 VanDerWaalsContact C-N 3.3Å; L104-T106 PolarHBondContact O-N 2.9Å; L104-H107 WeakPolarHBondContact O-CB 3.34Å; L104-H107 PolarHBondContact O-N 2.88Å; L104-D108 WeakPolarHBondContact O-CB 3.07Å; L104-D108 PolarHBondContact O-N 3.28Å
105E94.1Very high93.4Very high107 Ų10778.6 Ų78.650%0.544%0.439SS..Hα-helixtrans-58.6-44.6173.9-72.5175.6174.500111.2L68 Q101 D108 S109L68-E105 HydrophobicContact CD1-CG 3.84Å; L68-E105 HydrophobicContact CD2-CG 4.36Å; Q101-E105 WeakPolarHBondContact O-CG 3.29Å; Q101-E105 PolarHBondContact O-N 3.43Å; E105-D108 PolarHBondContact O-N 2.9Å; E105-S109 WeakPolarHBondContact O-CB 3.48Å; E105-S109 PolarHBondContact O-N 3.02Å
106T94.6Very high93.3Very high86 Ų8682.4 Ų82.453%0.52846%0.461SS..Hα-helixtrans-65.4-41.8177.3-55.90000111S102 L103 L104 S109 V110S102-T106 WeakPolarHBondContact O-CB 3.48Å; S102-T106 PolarHBondContact O-N 3.16Å; S102-T106 PolarHBondContact O-OG1 3.42Å; L103-T106 PolarHBondContact O-N 2.97Å; L104-T106 VanDerWaalsContact C-N 3.3Å; L104-T106 PolarHBondContact O-N 2.9Å; T106-S109 PolarHBondContact O-N 3.46Å; T106-V110 WeakPolarHBondContact O-CG2 3.45Å; T106-V110 PolarHBondContact O-N 3.39Å; T106-V110 VanDerWaalsContact O-N 3.12Å
107H93.5Very high93.1Very high75 Ų7580.1 Ų80.135%0.34746%0.455SS..Hα-helixtrans-60.1-51.1176176.1-74.4000111.3R64 N67 L103 L104 S109 V110 A111R64-H107 PolarHBondContact O-CE1 3.18Å; N67-H107 PolarHBondContact ND2-CE1 3.08Å; N67-H107 VanDerWaalsContact ND2-CE1 3.34Å; N67-H107 PolarHBondContact ND2-ND1 3Å; N67-H107 VanDerWaalsContact ND2-ND1 3.18Å; L103-H107 WeakPolarHBondContact O-CB 3.38Å; L103-H107 PolarHBondContact O-N 3.25Å; L104-H107 WeakPolarHBondContact O-CB 3.34Å; L104-H107 PolarHBondContact O-N 2.88Å; H107-S109 VanDerWaalsContact C-N 3.29Å; H107-S109 PolarHBondContact O-N 3.23Å; H107-V110 PolarHBondContact O-N 3.15Å; H107-V110 VanDerWaalsContact O-N 3.11Å; H107-A111 VanDerWaalsContact O-CB 3.29Å; H107-A111 WeakPolarHBondContact O-CB 3.38Å; H107-A111 PolarHBondContact O-N 2.85Å
108D92.6Very high92.8Very high23 Ų2380.3 Ų80.312%0.12346%0.461CS..Hα-helixtrans-62.6-36.7-178.8-73.4-12.7000111.9N66 N67 L68 L104 E105 V110 A111 S112N66-D108 WeakPolarHBondContact CA-OD2 3.28Å; N66-D108 PolarHBondContact N-OD1 3.17Å; N67-D108 WeakPolarHBondContact CB-OD1 3.33Å; N67-D108 VanDerWaalsContact N-CG 3.27Å; N67-D108 PolarHBondContact N-OD1 3.35Å; N67-D108 PolarHBondContact N-OD2 3.18Å; N67-D108 PolarHBondContact ND2-OD1 3.41Å; L68-D108 PolarHBondContact N-OD2 3.16Å; L104-D108 WeakPolarHBondContact O-CB 3.07Å; L104-D108 PolarHBondContact O-N 3.28Å; E105-D108 PolarHBondContact O-N 2.9Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 2.7Å; D108-A111 PolarHBondContact O-N 2.88Å; D108-S112 PolarHBondContact O-N 2.64Å; D108-S112 VanDerWaalsContact O-N 3.11Å; D108-S112 PolarHBondContact O-OG 3Å
109S91.5Very high92.6Very high88 Ų8879.6 Ų79.662%0.61545%0.452SS*.Hα-helixtrans-64.9-32.6174.2-176.80000113.7E105 T106 H107 S112E105-S109 WeakPolarHBondContact O-CB 3.48Å; E105-S109 PolarHBondContact O-N 3.02Å; T106-S109 PolarHBondContact O-N 3.46Å; H107-S109 VanDerWaalsContact C-N 3.29Å; H107-S109 PolarHBondContact O-N 3.23Å; S109-S112 PolarHBondContact O-OG 2.81Å
110V88.2Confident92.2Very high118 Ų11874.2 Ų74.272%0.71543%0.434SS*.Hα-helixtrans-84.4-26.3176.9174.80000111.7T106 H107 D108T106-V110 WeakPolarHBondContact O-CG2 3.45Å; T106-V110 PolarHBondContact O-N 3.39Å; T106-V110 VanDerWaalsContact O-N 3.12Å; H107-V110 PolarHBondContact O-N 3.15Å; H107-V110 VanDerWaalsContact O-N 3.11Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 2.7Å
111A86.8Confident91.9Very high32 Ų3275 Ų7526%0.26445%0.446SS..Hα-helixtrans-82.4-25-178.100000114.1A62 D65 H107 D108A62-A111 HydrophobicContact CB-CB 3.47Å; A62-A111 VanDerWaalsContact CB-CB 3.47Å; D65-A111 HydrophobicContact CB-CB 4.2Å; H107-A111 VanDerWaalsContact O-CB 3.29Å; H107-A111 WeakPolarHBondContact O-CB 3.38Å; H107-A111 PolarHBondContact O-N 2.85Å; D108-A111 PolarHBondContact O-N 2.88Å
112S78.6Confident91.6Very high136 Ų13678 Ų7895%0.95147%0.469SS*.  trans-78.50179.1680000113.5D108 S109D108-S112 PolarHBondContact O-N 2.64Å; D108-S112 VanDerWaalsContact O-N 3.11Å; D108-S112 PolarHBondContact O-OG 3Å; S109-S112 PolarHBondContact O-OG 2.81Å

Retrieved 112 of 112 residues in 219.7 ms (Link to these results)