A0A087Y2M5_POEFO Loading...

Ferritin

Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation.

AlphaFold DB , UniProt , Accession A0A087Y2M5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 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
1M67.2Low94.1Very high241 Ų241111.1 Ų111.1100%1.18755%0.55SS**  0130.80-66.6179-153.100107.9
2T86.4Confident94.4Very high121 Ų121108.1 Ų108.174%0.74254%0.538SS*.  trans-71.6140.6177.3-50.20000109.8R6T2-R6 HydrophobicContact CG2-CB 4.13Å
3S97Very high94.7Very high24 Ų2499.8 Ų99.817%0.16850%0.496CS..  trans-62.8140.1177.5-167.60000111.1I5 R6 G74S3-I5 PolarHBondContact O-N 3.18Å; S3-I5 VanDerWaalsContact O-N 3.16Å; S3-R6 WeakPolarHBondContact O-CB 3.21Å; S3-R6 PolarHBondContact O-N 3.11Å; S3-R6 VanDerWaalsContact O-N 3.11Å; S3-G74 WeakPolarHBondContact CB-O 3.33Å
4Q97.8Very high95Very high196 Ų19694.4 Ų94.492%0.91647%0.469SS*.THydrogen-bonded Turntrans-61-24.9-178.269.6-173.7-7.500114.3
5I97.9Very high95.2Very high93 Ų9390.6 Ų90.648%0.47746%0.458SS..THydrogen-bonded Turntrans-95.7-2.8-178.764.4177.7000113.2S3 Q7 N71S3-I5 PolarHBondContact O-N 3.18Å; S3-I5 VanDerWaalsContact O-N 3.16Å; I5-Q7 PolarHBondContact O-N 3.07Å; I5-N71 WeakPolarHBondContact CD1-O 3.4Å
6R98.4Very high95.4Very high57 Ų5785.4 Ų85.422%0.21543%0.433CS..  trans-75.6118.5-173.7-169.6-177.9-167.2119.8-5.8110.1T2 S3 F9 H10 E14T2-R6 HydrophobicContact CG2-CB 4.13Å; S3-R6 WeakPolarHBondContact O-CB 3.21Å; S3-R6 PolarHBondContact O-N 3.11Å; S3-R6 VanDerWaalsContact O-N 3.11Å; R6-F9 HydrophobicContact CG-CB 4.14Å; R6-F9 VanDerWaalsContact CZ-O 3.24Å; R6-F9 PolarHBondContact NE-O 3.36Å; R6-F9 PolarHBondContact NH2-O 3.27Å; R6-H10 PolarHBondContact NH2-O 3.09Å; R6-E14 IonicContact CZ-OE2 3.63Å; R6-E14 VanDerWaalsContact NH1-CD 3.3Å; R6-E14 IonicContact NH1-OE1 3.95Å; R6-E14 PolarHBondContact NH1-OE1 3.17Å; R6-E14 IonicContact NH1-OE2 2.71Å; R6-E14 PolarHBondContact NH1-OE2 3.45Å; R6-E14 IonicContact NH2-OE2 3.29Å; R6-E14 PolarHBondContact NH2-OE2 3.36Å
7Q98Very high95.6Very high162 Ų16280.4 Ų80.476%0.75741%0.408SS*.  trans-143.1131.7175.8-171.6175.64.100110I5 F9 R73I5-Q7 PolarHBondContact O-N 3.07Å; Q7-F9 VanDerWaalsContact C-N 3.26Å; Q7-F9 PolarHBondContact O-N 3.49Å; Q7-R73 PolarHBondContact O-NH2 2.87Å; Q7-R73 VanDerWaalsContact O-NH2 3.17Å
8N97.6Very high95.8Very high92 Ų9277 Ų7749%0.49239%0.391SS..SBendtrans48.743.6179.8-162.444.6000113.9R73 N122 D123N8-R73 PolarHBondContact O-NH2 2.95Å; N8-N122 PolarHBondContact ND2-O 3.48Å; N8-D123 VanDerWaalsContact O-OD2 3.08Å
9F98.3Very high96Very high11 Ų1180.4 Ų80.45%0.04840%0.399CS..  trans-128.697.5-177-171.9-129000109.5R6 Q7 C13 E14 I17 R73 M126R6-F9 HydrophobicContact CG-CB 4.14Å; R6-F9 VanDerWaalsContact CZ-O 3.24Å; R6-F9 PolarHBondContact NE-O 3.36Å; R6-F9 PolarHBondContact NH2-O 3.27Å; Q7-F9 VanDerWaalsContact C-N 3.26Å; Q7-F9 PolarHBondContact O-N 3.49Å; F9-C13 HydrophobicContact CD2-CB 4.22Å; F9-C13 HydrophobicContact CE2-CB 3.88Å; F9-E14 HydrophobicContact CD1-CB 4.41Å; F9-E14 HydrophobicContact CE1-CB 3.61Å; F9-E14 HydrophobicContact CE1-CG 4.02Å; F9-E14 HydrophobicContact CZ-CB 3.78Å; F9-E14 HydrophobicContact CZ-CG 4.45Å; F9-I17 HydrophobicContact CE2-CD1 3.94Å; F9-I17 HydrophobicContact CZ-CD1 3.87Å; F9-R73 HydrophobicContact CB-CB 4.46Å; F9-R73 HydrophobicContact CD1-CB 3.75Å; F9-R73 HydrophobicContact CD2-CB 4.08Å; F9-R73 HydrophobicContact CD2-CG 4.46Å; F9-R73 HydrophobicContact CE1-CB 3.94Å; F9-R73 HydrophobicContact CE2-CB 4.26Å; F9-R73 HydrophobicContact CG-CB 3.84Å; F9-R73 HydrophobicContact CZ-CB 4.19Å; F9-M126 HydrophobicContact CE2-SD 4.12Å
10H98.4Very high96.1Very high80 Ų8076.5 Ų76.537%0.3738%0.379SS..  trans-68.4154.1-174.6-164.9-100000111.8R6 D12 C13 E14 H121R6-H10 PolarHBondContact NH2-O 3.09Å; H10-D12 VanDerWaalsContact C-N 3.29Å; H10-D12 VanDerWaalsContact CE1-CG 3.47Å; H10-D12 IonicContact CE1-OD1 3.29Å; H10-D12 IonicContact CE1-OD2 3.71Å; H10-D12 PolarHBondContact CE1-OD2 2.87Å; H10-D12 WeakPolarHBondContact ND1-CB 3.44Å; H10-D12 PolarHBondContact ND1-N 3.46Å; H10-D12 VanDerWaalsContact ND1-N 3.17Å; H10-D12 IonicContact ND1-OD1 3.61Å; H10-D12 IonicContact ND1-OD2 3.43Å; H10-D12 PolarHBondContact ND1-OD2 2.86Å; H10-D12 PolarHBondContact O-N 2.67Å; H10-C13 PolarHBondContact O-N 3.35Å; H10-E14 PolarHBondContact O-N 3.28Å; H10-E14 VanDerWaalsContact O-N 3.12Å; H10-H121 HydrophobicContact CB-CB 4.04Å; H10-H121 AromaticContact CD2-CE1 3.8Å; H10-H121 AromaticContact CD2-ND1 3.66Å; H10-H121 AromaticContact CE1-CE1 3.36Å; H10-H121 PolarHBondContact CE1-CE1 2.92Å; H10-H121 AromaticContact CE1-ND1 3.99Å; H10-H121 AromaticContact CE1-NE2 3.78Å; H10-H121 AromaticContact CG-CE1 3.51Å; H10-H121 AromaticContact CG-CG 3.77Å; H10-H121 AromaticContact CG-ND1 3.43Å; H10-H121 AromaticContact CG-NE2 3.85Å; H10-H121 AromaticContact ND1-CD2 3.82Å; H10-H121 AromaticContact ND1-CE1 3.2Å; H10-H121 PolarHBondContact ND1-CE1 3.26Å; H10-H121 AromaticContact ND1-ND1 3.63Å; H10-H121 AromaticContact ND1-NE2 3.29Å; H10-H121 PolarHBondContact ND1-NE2 3.31Å; H10-H121 AromaticContact NE2-CE1 3.76Å
11Q97.9Very high96.2Very high145 Ų14573 Ų7368%0.67836%0.362SS*.Hα-helixtrans-66.1-33.1-179.8-69.1-178.1-2.400112.1E14 A15Q11-E14 WeakPolarHBondContact O-CB 3.13Å; Q11-E14 PolarHBondContact O-N 2.74Å; Q11-A15 WeakPolarHBondContact O-CB 3.27Å; Q11-A15 PolarHBondContact O-N 3.12Å
12D98.2Very high97.8Very high75 Ų7563.3 Ų63.340%0.40132%0.315SS..Hα-helixtrans-64.2-43.4175.8-59.7-23.7000111.3H10 A15 A16 M117 H121H10-D12 VanDerWaalsContact C-N 3.29Å; H10-D12 VanDerWaalsContact CE1-CG 3.47Å; H10-D12 IonicContact CE1-OD1 3.29Å; H10-D12 IonicContact CE1-OD2 3.71Å; H10-D12 PolarHBondContact CE1-OD2 2.87Å; H10-D12 WeakPolarHBondContact ND1-CB 3.44Å; H10-D12 PolarHBondContact ND1-N 3.46Å; H10-D12 VanDerWaalsContact ND1-N 3.17Å; H10-D12 IonicContact ND1-OD1 3.61Å; H10-D12 IonicContact ND1-OD2 3.43Å; H10-D12 PolarHBondContact ND1-OD2 2.86Å; H10-D12 PolarHBondContact O-N 2.67Å; D12-A15 PolarHBondContact O-N 3.22Å; D12-A16 VanDerWaalsContact O-CB 3.27Å; D12-A16 WeakPolarHBondContact O-CB 3.5Å; D12-A16 PolarHBondContact O-N 3.41Å; D12-M117 HydrophobicContact CB-CG 4.42Å; D12-M117 HydrophobicContact CB-SD 3.67Å; D12-M117 VanDerWaalsContact O-SD 3.39Å; D12-H121 IonicContact OD2-CE1 3.06Å; D12-H121 IonicContact OD2-NE2 3.56Å; D12-H121 PolarHBondContact OD2-NE2 3.11Å; D12-H121 VanDerWaalsContact OD2-NE2 3.11Å
13C98.2Very high98.3Very high0 Ų059.5 Ų59.50%029%0.29CS..Hα-helixtrans-61.2-44.3175.4-63.50000111.5F9 H10 A15 A16 I17 M126F9-C13 HydrophobicContact CD2-CB 4.22Å; F9-C13 HydrophobicContact CE2-CB 3.88Å; H10-C13 PolarHBondContact O-N 3.35Å; C13-A15 PolarHBondContact O-N 3.29Å; C13-A16 PolarHBondContact O-N 3.2Å; C13-I17 WeakPolarHBondContact O-CG1 3.18Å; C13-I17 PolarHBondContact O-N 3.4Å; C13-M126 HydrophobicContact CB-CE 4.11Å; C13-M126 HydrophobicContact CB-SD 3.65Å
14E98.6Very high98.4Very high25 Ų2558.3 Ų58.312%0.11728%0.282CS..Hα-helixtrans-59.4-46.5174.9178177.8-160.200112.1R6 F9 H10 Q11 A16 I17 N18 Q70 G75 R76R6-E14 IonicContact CZ-OE2 3.63Å; R6-E14 VanDerWaalsContact NH1-CD 3.3Å; R6-E14 IonicContact NH1-OE1 3.95Å; R6-E14 PolarHBondContact NH1-OE1 3.17Å; R6-E14 IonicContact NH1-OE2 2.71Å; R6-E14 PolarHBondContact NH1-OE2 3.45Å; R6-E14 IonicContact NH2-OE2 3.29Å; R6-E14 PolarHBondContact NH2-OE2 3.36Å; F9-E14 HydrophobicContact CD1-CB 4.41Å; F9-E14 HydrophobicContact CE1-CB 3.61Å; F9-E14 HydrophobicContact CE1-CG 4.02Å; F9-E14 HydrophobicContact CZ-CB 3.78Å; F9-E14 HydrophobicContact CZ-CG 4.45Å; H10-E14 PolarHBondContact O-N 3.28Å; H10-E14 VanDerWaalsContact O-N 3.12Å; Q11-E14 WeakPolarHBondContact O-CB 3.13Å; Q11-E14 PolarHBondContact O-N 2.74Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-I17 PolarHBondContact O-N 2.81Å; E14-N18 PolarHBondContact O-N 3.36Å; E14-N18 VanDerWaalsContact O-N 3.16Å; E14-N18 PolarHBondContact O-ND2 3.35Å; E14-Q70 PolarHBondContact O-NE2 2.94Å; E14-G75 WeakPolarHBondContact OE1-CA 3.44Å; E14-R76 PolarHBondContact OE1-N 3.44Å
15A98.6Very high98.5Very high37 Ų3749.6 Ų49.631%0.30624%0.241SC..Hα-helixtrans-65.9-37177.300000111.9Q11 D12 C13 N18 R19Q11-A15 WeakPolarHBondContact O-CB 3.27Å; Q11-A15 PolarHBondContact O-N 3.12Å; D12-A15 PolarHBondContact O-N 3.22Å; C13-A15 PolarHBondContact O-N 3.29Å; A15-N18 PolarHBondContact O-N 3.49Å; A15-R19 PolarHBondContact O-N 2.98Å; A15-R19 VanDerWaalsContact O-N 3.08Å; A15-R19 PolarHBondContact O-NH1 3.28Å
16A98.6Very high98.5Very high7 Ų747.8 Ų47.86%0.05823%0.229CC..Hα-helixtrans-67.2-40.4177.300000112.2D12 C13 E14 N18 R19 Q20 L114 M117D12-A16 VanDerWaalsContact O-CB 3.27Å; D12-A16 WeakPolarHBondContact O-CB 3.5Å; D12-A16 PolarHBondContact O-N 3.41Å; C13-A16 PolarHBondContact O-N 3.2Å; E14-A16 VanDerWaalsContact C-N 3.33Å; A16-N18 VanDerWaalsContact C-N 3.32Å; A16-N18 PolarHBondContact O-N 3.06Å; A16-R19 PolarHBondContact O-N 2.97Å; A16-R19 VanDerWaalsContact O-N 3.16Å; A16-Q20 PolarHBondContact O-N 3.49Å; A16-L114 HydrophobicContact CB-CD1 3.37Å; A16-M117 HydrophobicContact CB-CE 4.43Å; A16-M117 HydrophobicContact CB-SD 3.63Å
17I98.8Very high98.5Very high0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-60.3-42.4171.8-70.6-180000110.8F9 C13 E14 R19 Q20 I21 L66 L69 Q70 L114 M126F9-I17 HydrophobicContact CE2-CD1 3.94Å; F9-I17 HydrophobicContact CZ-CD1 3.87Å; C13-I17 WeakPolarHBondContact O-CG1 3.18Å; C13-I17 PolarHBondContact O-N 3.4Å; E14-I17 PolarHBondContact O-N 2.81Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 2.72Å; I17-Q20 PolarHBondContact O-N 3.22Å; I17-I21 HydrophobicContact CG2-CD1 3.77Å; I17-I21 HydrophobicContact CG2-CG1 4.26Å; I17-I21 VanDerWaalsContact O-CG1 3.25Å; I17-I21 WeakPolarHBondContact O-CG1 3.47Å; I17-I21 PolarHBondContact O-N 3.32Å; I17-L66 HydrophobicContact CG2-CB 4.39Å; I17-L69 HydrophobicContact CD1-CD2 3.62Å; I17-L69 HydrophobicContact CD1-CG 4.21Å; I17-Q70 HydrophobicContact CG2-CB 4.01Å; I17-Q70 HydrophobicContact CG2-CG 4.42Å; I17-L114 HydrophobicContact CG1-CD1 4.33Å; I17-M126 HydrophobicContact CD1-CE 3.89Å; I17-M126 HydrophobicContact CD1-SD 4.12Å; I17-M126 HydrophobicContact CG1-CE 3.68Å
18N98.8Very high98.6Very high20 Ų2037.6 Ų37.611%0.10718%0.184CC..Hα-helixtrans-61.6-37.2176.1-75.8-34.6000112.7E14 A15 A16 N22 Q70 R76 I77 F78E14-N18 PolarHBondContact O-N 3.36Å; E14-N18 VanDerWaalsContact O-N 3.16Å; E14-N18 PolarHBondContact O-ND2 3.35Å; A15-N18 PolarHBondContact O-N 3.49Å; A16-N18 VanDerWaalsContact C-N 3.32Å; A16-N18 PolarHBondContact O-N 3.06Å; N18-N22 PolarHBondContact O-N 3.32Å; N18-Q70 PolarHBondContact ND2-NE2 3.27Å; N18-Q70 PolarHBondContact OD1-NE2 3.42Å; N18-R76 PolarHBondContact ND2-O 3.01Å; N18-R76 PolarHBondContact OD1-O 3.47Å; N18-I77 WeakPolarHBondContact OD1-CA 3.39Å; N18-F78 PolarHBondContact OD1-N 3.15Å
19R98.8Very high98.6Very high142 Ų14238 Ų3854%0.53618%0.18SC..Hα-helixtrans-67.3-44.4173.6-69.9-173.1-64.3-87.83.5111.6A15 A16 I17 I21 N22 L23A15-R19 PolarHBondContact O-N 2.98Å; A15-R19 VanDerWaalsContact O-N 3.08Å; A15-R19 PolarHBondContact O-NH1 3.28Å; A16-R19 PolarHBondContact O-N 2.97Å; A16-R19 VanDerWaalsContact O-N 3.16Å; I17-R19 VanDerWaalsContact C-N 3.29Å; I17-R19 PolarHBondContact O-N 2.72Å; R19-I21 PolarHBondContact O-N 3.16Å; R19-N22 PolarHBondContact O-N 3.01Å; R19-L23 PolarHBondContact O-N 3.18Å
20Q98.8Very high98.7Very high2 Ų237.8 Ų37.81%0.00918%0.179CC..Hα-helixtrans-62.6-42.6178.1-167.766.328.600111.3A16 I17 N22 L23 E24 L66 S110 L111 L114A16-Q20 PolarHBondContact O-N 3.49Å; I17-Q20 PolarHBondContact O-N 3.22Å; Q20-N22 VanDerWaalsContact C-N 3.27Å; Q20-N22 PolarHBondContact O-N 3.08Å; Q20-L23 WeakPolarHBondContact O-CA 3.39Å; Q20-L23 WeakPolarHBondContact O-CB 3.37Å; Q20-L23 PolarHBondContact O-N 3.3Å; Q20-E24 HydrophobicContact CG-CG 4.49Å; Q20-E24 PolarHBondContact NE2-OE1 2.87Å; Q20-E24 WeakPolarHBondContact O-CG 3.39Å; Q20-E24 PolarHBondContact O-N 2.85Å; Q20-L66 HydrophobicContact CB-CD1 3.99Å; Q20-L66 HydrophobicContact CG-CD1 3.5Å; Q20-L66 VanDerWaalsContact CG-CD1 3.5Å; Q20-S110 VanDerWaalsContact OE1-CB 3.25Å; Q20-S110 PolarHBondContact OE1-OG 3.16Å; Q20-L111 HydrophobicContact CG-CD2 4.09Å; Q20-L114 HydrophobicContact CB-CD2 4.28Å; Q20-L114 HydrophobicContact CG-CD2 4.26Å
21I98.9Very high98.7Very high2 Ų234 Ų341%0.0116%0.161CC..Hα-helixtrans-53-46.8173.7-71.2161.9000110.7I17 R19 L23 E24 L25 L66 M67 L79I17-I21 HydrophobicContact CG2-CD1 3.77Å; I17-I21 HydrophobicContact CG2-CG1 4.26Å; I17-I21 VanDerWaalsContact O-CG1 3.25Å; I17-I21 WeakPolarHBondContact O-CG1 3.47Å; I17-I21 PolarHBondContact O-N 3.32Å; R19-I21 PolarHBondContact O-N 3.16Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.32Å; I21-E24 PolarHBondContact O-N 3.49Å; I21-L25 HydrophobicContact CG2-CD1 3.89Å; I21-L25 HydrophobicContact CG2-CG 4.48Å; I21-L25 WeakPolarHBondContact O-CB 3.36Å; I21-L25 WeakPolarHBondContact O-CD1 3.44Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.37Å; I21-L66 HydrophobicContact CD1-CB 4.22Å; I21-L66 HydrophobicContact CG1-CB 3.5Å; I21-L66 HydrophobicContact CG1-CD1 4.33Å; I21-M67 HydrophobicContact CD1-CB 4.44Å; I21-M67 HydrophobicContact CD1-CG 3.72Å; I21-M67 HydrophobicContact CG1-CG 4.03Å; I21-M67 HydrophobicContact CG2-CG 3.87Å; I21-M67 HydrophobicContact CG2-SD 4.25Å; I21-L79 HydrophobicContact CG2-CD2 4.18Å
22N98.8Very high98.7Very high38 Ų3830 Ų3020%0.20314%0.144CC..Hα-helixtrans-67.1-34.1178.9-174.2-106.3000112.4N18 R19 Q20 L25 Y26 Q80 D81N18-N22 PolarHBondContact O-N 3.32Å; R19-N22 PolarHBondContact O-N 3.01Å; Q20-N22 VanDerWaalsContact C-N 3.27Å; Q20-N22 PolarHBondContact O-N 3.08Å; N22-L25 PolarHBondContact O-N 3.16Å; N22-Y26 WeakPolarHBondContact O-CB 3.41Å; N22-Y26 PolarHBondContact O-N 3.27Å; N22-Q80 PolarHBondContact ND2-O 2.87Å; N22-D81 PolarHBondContact ND2-O 2.95Å
23L98.8Very high98.7Very high41 Ų4127.8 Ų27.822%0.21514%0.135CC..Hα-helixtrans-67.2-43.2176.3-173.760000112.3R19 Q20 I21 L25 Y26 A27 V107 S110R19-L23 PolarHBondContact O-N 3.18Å; Q20-L23 WeakPolarHBondContact O-CA 3.39Å; Q20-L23 WeakPolarHBondContact O-CB 3.37Å; Q20-L23 PolarHBondContact O-N 3.3Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.32Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.43Å; L23-Y26 HydrophobicContact CD1-CD1 4.28Å; L23-Y26 WeakPolarHBondContact O-CB 3.02Å; L23-Y26 PolarHBondContact O-N 2.86Å; L23-A27 PolarHBondContact O-N 3.16Å; L23-V107 HydrophobicContact CD2-CG2 4.37Å; L23-V107 HydrophobicContact CG-CG2 4.19Å; L23-S110 VanDerWaalsContact CD2-CB 3.48Å
24E98.8Very high98.8Very high0 Ų027.8 Ų27.80%014%0.135CC..Hα-helixtrans-65.1-39.4174.8-53.7-47.917700111.3Q20 I21 Y26 A27 S28 H62 A63 L66 V107Q20-E24 HydrophobicContact CG-CG 4.49Å; Q20-E24 PolarHBondContact NE2-OE1 2.87Å; Q20-E24 WeakPolarHBondContact O-CG 3.39Å; Q20-E24 PolarHBondContact O-N 2.85Å; I21-E24 PolarHBondContact O-N 3.49Å; E24-Y26 VanDerWaalsContact C-N 3.29Å; E24-Y26 PolarHBondContact O-N 3.43Å; E24-A27 PolarHBondContact O-N 3.45Å; E24-S28 WeakPolarHBondContact O-CB 3.5Å; E24-S28 PolarHBondContact O-N 3.41Å; E24-H62 HydrophobicContact CB-CB 4.33Å; E24-H62 HydrophobicContact CG-CB 4.03Å; E24-A63 HydrophobicContact CB-CB 3.81Å; E24-L66 HydrophobicContact CG-CD1 3.69Å; E24-V107 WeakPolarHBondContact OE2-CG1 3.25Å
25L98.9Very high98.8Very high13 Ų1326.8 Ų26.87%0.06813%0.13CC..Hα-helixtrans-63.2-36.2173.9-70.2171.7000112.4I21 N22 L23 Y29 A63 L79 I82I21-L25 HydrophobicContact CG2-CD1 3.89Å; I21-L25 HydrophobicContact CG2-CG 4.48Å; I21-L25 WeakPolarHBondContact O-CB 3.36Å; I21-L25 WeakPolarHBondContact O-CD1 3.44Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.37Å; N22-L25 PolarHBondContact O-N 3.16Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.43Å; L25-Y29 PolarHBondContact O-N 3.26Å; L25-Y29 VanDerWaalsContact O-N 3.11Å; L25-A63 HydrophobicContact CD2-CB 3.74Å; L25-A63 HydrophobicContact CG-CB 3.78Å; L25-L79 HydrophobicContact CD1-CD2 4.43Å; L25-I82 HydrophobicContact CB-CD1 3.82Å; L25-I82 HydrophobicContact CB-CG1 4.01Å; L25-I82 HydrophobicContact CD1-CD1 4.25Å; L25-I82 HydrophobicContact CD1-CG1 4.49Å; L25-I82 HydrophobicContact CD2-CD1 4.5Å; L25-I82 HydrophobicContact CG-CD1 4.43Å
26Y98.8Very high98.8Very high55 Ų5531.6 Ų31.622%0.21614%0.142CC..Hα-helixtrans-67.7-45.7173.5171.7-101.5000111.2N22 L23 E24 S28 Y29 V30 K83 L103N22-Y26 WeakPolarHBondContact O-CB 3.41Å; N22-Y26 PolarHBondContact O-N 3.27Å; L23-Y26 HydrophobicContact CD1-CD1 4.28Å; L23-Y26 WeakPolarHBondContact O-CB 3.02Å; L23-Y26 PolarHBondContact O-N 2.86Å; E24-Y26 VanDerWaalsContact C-N 3.29Å; E24-Y26 PolarHBondContact O-N 3.43Å; Y26-S28 VanDerWaalsContact C-N 3.35Å; Y26-S28 PolarHBondContact O-N 3.3Å; Y26-Y29 WeakPolarHBondContact O-CA 3.29Å; Y26-Y29 WeakPolarHBondContact O-CB 3.5Å; Y26-Y29 PolarHBondContact O-N 2.9Å; Y26-V30 HydrophobicContact CD1-CG2 4.18Å; Y26-V30 HydrophobicContact CD2-CG2 4.3Å; Y26-V30 HydrophobicContact CE1-CG2 3.69Å; Y26-V30 HydrophobicContact CE2-CG2 3.82Å; Y26-V30 HydrophobicContact CG-CG2 4.46Å; Y26-V30 VanDerWaalsContact CZ-CG2 3.48Å; Y26-V30 WeakPolarHBondContact O-CG2 3.16Å; Y26-V30 PolarHBondContact O-N 3.17Å; Y26-K83 HydrophobicContact CD2-CB 4.31Å; Y26-K83 VanDerWaalsContact CD2-O 3.29Å; Y26-K83 WeakPolarHBondContact CD2-O 3.42Å; Y26-K83 HydrophobicContact CE2-CB 4.35Å; Y26-L103 HydrophobicContact CD1-CD1 4.26Å; Y26-L103 HydrophobicContact CE1-CD1 4.06Å
27A98.8Very high98.8Very high0 Ų031.7 Ų31.70%014%0.141CC..Hα-helixtrans-58.8-46.6176.400000111.4L23 E24 Y29 V30 Y31 E59 L103 V107L23-A27 PolarHBondContact O-N 3.16Å; E24-A27 PolarHBondContact O-N 3.45Å; A27-Y29 PolarHBondContact O-N 2.83Å; A27-V30 PolarHBondContact O-N 3.29Å; A27-Y31 WeakPolarHBondContact O-CD2 3.37Å; A27-Y31 PolarHBondContact O-N 2.85Å; A27-E59 HydrophobicContact CB-CB 4.36Å; A27-E59 HydrophobicContact CB-CG 3.95Å; A27-L103 HydrophobicContact CB-CD1 4.19Å; A27-L103 HydrophobicContact CB-CD2 4.01Å; A27-L103 HydrophobicContact CB-CG 4.26Å; A27-V107 HydrophobicContact CB-CG2 4.26Å
28S98.9Very high98.7Very high4 Ų431.7 Ų31.73%0.02814%0.141CC..Hα-helixtrans-52.6-42.2171.2176.50000112.1E24 Y26 L32 S56 R60E24-S28 WeakPolarHBondContact O-CB 3.5Å; E24-S28 PolarHBondContact O-N 3.41Å; Y26-S28 VanDerWaalsContact C-N 3.35Å; Y26-S28 PolarHBondContact O-N 3.3Å; S28-L32 WeakPolarHBondContact O-CB 3.3Å; S28-L32 PolarHBondContact O-N 3.02Å; S28-S56 WeakPolarHBondContact CB-O 3.49Å; S28-S56 WeakPolarHBondContact O-CB 3.39Å; S28-S56 PolarHBondContact O-OG 2.94Å; S28-S56 PolarHBondContact OG-O 3.4Å; S28-R60 PolarHBondContact OG-NH2 3.42Å
29Y98.8Very high98.7Very high102 Ų10235.8 Ų35.840%0.416%0.163SC..Hα-helixtrans-74.5-34.9-179-166.3-153.8000113.4L25 Y26 A27 L32 S33 I82 K83 K84L25-Y29 PolarHBondContact O-N 3.26Å; L25-Y29 VanDerWaalsContact O-N 3.11Å; Y26-Y29 WeakPolarHBondContact O-CA 3.29Å; Y26-Y29 WeakPolarHBondContact O-CB 3.5Å; Y26-Y29 PolarHBondContact O-N 2.9Å; A27-Y29 PolarHBondContact O-N 2.83Å; Y29-L32 HydrophobicContact CD2-CD2 4.31Å; Y29-L32 PolarHBondContact O-N 2.86Å; Y29-S33 PolarHBondContact O-N 2.88Å; Y29-S33 VanDerWaalsContact O-N 3.09Å; Y29-I82 HydrophobicContact CD1-CG2 3.86Å; Y29-I82 HydrophobicContact CG-CG2 4.37Å; Y29-K83 WeakPolarHBondContact CD1-O 3.44Å; Y29-K84 HydrophobicContact CE1-CB 4.37Å
30V98.8Very high98.7Very high5 Ų532.8 Ų32.83%0.0315%0.151CC..Hα-helixtrans-63.1-48.9172.5171.80000110.5Y26 A27 L32 S33 M34 P85 W90 L103Y26-V30 HydrophobicContact CD1-CG2 4.18Å; Y26-V30 HydrophobicContact CD2-CG2 4.3Å; Y26-V30 HydrophobicContact CE1-CG2 3.69Å; Y26-V30 HydrophobicContact CE2-CG2 3.82Å; Y26-V30 HydrophobicContact CG-CG2 4.46Å; Y26-V30 VanDerWaalsContact CZ-CG2 3.48Å; Y26-V30 WeakPolarHBondContact O-CG2 3.16Å; Y26-V30 PolarHBondContact O-N 3.17Å; A27-V30 PolarHBondContact O-N 3.29Å; V30-L32 VanDerWaalsContact C-N 3.29Å; V30-L32 PolarHBondContact O-N 3.5Å; V30-S33 WeakPolarHBondContact O-CB 3.48Å; V30-S33 PolarHBondContact O-N 3.49Å; V30-S33 VanDerWaalsContact O-N 3.12Å; V30-M34 HydrophobicContact CG1-CE 3.78Å; V30-M34 HydrophobicContact CG1-SD 4.45Å; V30-M34 PolarHBondContact O-N 3.36Å; V30-P85 HydrophobicContact CB-CG 4.49Å; V30-P85 HydrophobicContact CG2-CB 4.07Å; V30-P85 HydrophobicContact CG2-CG 4.04Å; V30-W90 HydrophobicContact CG1-CH2 3.71Å; V30-W90 HydrophobicContact CG1-CZ2 4.2Å; V30-W90 HydrophobicContact CG1-CZ3 4.45Å; V30-L103 HydrophobicContact CB-CD2 3.96Å; V30-L103 HydrophobicContact CG1-CD2 3.81Å
31Y98.8Very high98.6Very high0 Ų040.1 Ų40.10%019%0.19CC..Hα-helixtrans-62.5-36.1176.6-79.2-52000113A27 S33 M34 A35 F52 Q55 E59 A100 L103 E104A27-Y31 WeakPolarHBondContact O-CD2 3.37Å; A27-Y31 PolarHBondContact O-N 2.85Å; Y31-S33 VanDerWaalsContact C-N 3.32Å; Y31-S33 PolarHBondContact O-N 3.16Å; Y31-M34 HydrophobicContact CD1-SD 4Å; Y31-M34 HydrophobicContact CE1-SD 4.31Å; Y31-M34 PolarHBondContact O-N 2.86Å; Y31-A35 WeakPolarHBondContact O-CB 3.44Å; Y31-A35 PolarHBondContact O-N 2.97Å; Y31-F52 HydrophobicContact CD1-CB 4.5Å; Y31-F52 AromaticContact CD1-CD1 3.55Å; Y31-F52 HydrophobicContact CD1-CD1 3.55Å; Y31-F52 HydrophobicContact CD1-CE1 4.22Å; Y31-F52 HydrophobicContact CD1-CG 4.43Å; Y31-F52 AromaticContact CE1-CD1 3.8Å; Y31-F52 HydrophobicContact CE1-CD1 3.8Å; Y31-F52 HydrophobicContact CE1-CE1 4.08Å; Y31-Q55 HydrophobicContact CD1-CB 3.97Å; Y31-Q55 HydrophobicContact CD2-CB 3.83Å; Y31-Q55 HydrophobicContact CE1-CB 4.12Å; Y31-Q55 HydrophobicContact CE2-CB 3.99Å; Y31-Q55 HydrophobicContact CG-CB 3.82Å; Y31-E59 HydrophobicContact CD2-CG 3.86Å; Y31-E59 HydrophobicContact CE2-CG 3.96Å; Y31-A100 HydrophobicContact CE1-CB 3.74Å; Y31-L103 HydrophobicContact CD2-CD2 4.44Å; Y31-L103 HydrophobicContact CE2-CD2 4.08Å; Y31-E104 VanDerWaalsContact CE2-OE1 3.28Å; Y31-E104 WeakPolarHBondContact CE2-OE1 3.31Å; Y31-E104 VanDerWaalsContact CZ-OE1 3.32Å; Y31-E104 WeakPolarHBondContact OH-CG 3.16Å; Y31-E104 PolarHBondContact OH-OE1 3.23Å
32L98.8Very high98.4Very high61 Ų6144.2 Ų44.232%0.31921%0.213SC..Hα-helixtrans-61.3-42.9173.8-168.965000111.5S28 Y29 V30 A35 Y36S28-L32 WeakPolarHBondContact O-CB 3.3Å; S28-L32 PolarHBondContact O-N 3.02Å; Y29-L32 HydrophobicContact CD2-CD2 4.31Å; Y29-L32 PolarHBondContact O-N 2.86Å; V30-L32 VanDerWaalsContact C-N 3.29Å; V30-L32 PolarHBondContact O-N 3.5Å; L32-A35 PolarHBondContact O-N 3.15Å; L32-Y36 HydrophobicContact CD1-CD2 3.95Å; L32-Y36 HydrophobicContact CD1-CE2 3.62Å; L32-Y36 HydrophobicContact CG-CD2 4.2Å; L32-Y36 HydrophobicContact CG-CE2 4.27Å; L32-Y36 WeakPolarHBondContact O-CD2 3.47Å; L32-Y36 PolarHBondContact O-N 3.47Å
33S98.8Very high98.3Very high30 Ų3045.8 Ų45.821%0.2122%0.218CC..Hα-helixtrans-62.1-44.8175.7-179.60000111.7Y29 V30 Y31 A35 Y37 W90Y29-S33 PolarHBondContact O-N 2.88Å; Y29-S33 VanDerWaalsContact O-N 3.09Å; V30-S33 WeakPolarHBondContact O-CB 3.48Å; V30-S33 PolarHBondContact O-N 3.49Å; V30-S33 VanDerWaalsContact O-N 3.12Å; Y31-S33 VanDerWaalsContact C-N 3.32Å; Y31-S33 PolarHBondContact O-N 3.16Å; S33-A35 PolarHBondContact O-N 3.35Å; S33-Y37 WeakPolarHBondContact O-CB 3.46Å; S33-Y37 PolarHBondContact O-N 2.86Å; S33-Y37 VanDerWaalsContact O-N 3.08Å; S33-W90 PolarHBondContact OG-NE1 3.12Å
34M98.7Very high98Very high0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-61.1-43.9175.5-68.2176.5177.900111.9V30 Y31 Y36 Y37 F38 F52 W90 C99 A100V30-M34 HydrophobicContact CG1-CE 3.78Å; V30-M34 HydrophobicContact CG1-SD 4.45Å; V30-M34 PolarHBondContact O-N 3.36Å; Y31-M34 HydrophobicContact CD1-SD 4Å; Y31-M34 HydrophobicContact CE1-SD 4.31Å; Y31-M34 PolarHBondContact O-N 2.86Å; M34-Y36 PolarHBondContact O-N 3.12Å; M34-Y37 WeakPolarHBondContact O-CB 3.47Å; M34-Y37 PolarHBondContact O-N 2.9Å; M34-F38 WeakPolarHBondContact O-CD2 3.39Å; M34-F38 PolarHBondContact O-N 2.91Å; M34-F52 HydrophobicContact CB-CB 4.09Å; M34-F52 HydrophobicContact CB-CD1 4.21Å; M34-F52 HydrophobicContact CB-CD2 3.81Å; M34-F52 HydrophobicContact CB-CE2 4.24Å; M34-F52 HydrophobicContact CB-CG 3.79Å; M34-F52 HydrophobicContact SD-CD1 4Å; M34-F52 HydrophobicContact SD-CE1 3.78Å; M34-F52 HydrophobicContact SD-CZ 4.14Å; M34-W90 HydrophobicContact CE-CD2 4.16Å; M34-W90 HydrophobicContact CE-CE3 3.49Å; M34-W90 VanDerWaalsContact CE-CE3 3.49Å; M34-W90 HydrophobicContact CE-CH2 3.79Å; M34-W90 HydrophobicContact CE-CZ2 4.38Å; M34-W90 HydrophobicContact CE-CZ3 3.3Å; M34-W90 HydrophobicContact CG-CD2 3.57Å; M34-W90 HydrophobicContact CG-CE3 3.92Å; M34-W90 HydrophobicContact CG-CG 4Å; M34-W90 HydrophobicContact CG-CH2 4.33Å; M34-W90 HydrophobicContact CG-CZ2 3.97Å; M34-W90 HydrophobicContact CG-CZ3 4.3Å; M34-C99 HydrophobicContact CE-CB 3.71Å; M34-A100 HydrophobicContact CE-CB 4.5Å; M34-A100 HydrophobicContact SD-CB 4.45Å
35A98.6Very high97.9Very high3 Ų348.7 Ų48.73%0.02524%0.24CC..Hα-helixtrans-57.4-52.2-178.800000112Y31 L32 S33 Y37 F38 D39 A49 F52 N53Y31-A35 WeakPolarHBondContact O-CB 3.44Å; Y31-A35 PolarHBondContact O-N 2.97Å; L32-A35 PolarHBondContact O-N 3.15Å; S33-A35 PolarHBondContact O-N 3.35Å; A35-Y37 VanDerWaalsContact C-N 3.27Å; A35-Y37 PolarHBondContact O-N 3.4Å; A35-F38 PolarHBondContact O-N 3.28Å; A35-D39 PolarHBondContact O-N 3.4Å; A35-A49 WeakPolarHBondContact CB-O 3.39Å; A35-A49 WeakPolarHBondContact O-CB 3.44Å; A35-F52 HydrophobicContact CB-CB 3.88Å; A35-N53 HydrophobicContact CB-CB 4.03Å
36Y98.4Very high97.8Very high139 Ų13952.8 Ų52.855%0.54526%0.259SS..Hα-helixtrans-74.9-16.5-178.8-78-76.4000113.8L32 M34L32-Y36 HydrophobicContact CD1-CD2 3.95Å; L32-Y36 HydrophobicContact CD1-CE2 3.62Å; L32-Y36 HydrophobicContact CG-CD2 4.2Å; L32-Y36 HydrophobicContact CG-CE2 4.27Å; L32-Y36 WeakPolarHBondContact O-CD2 3.47Å; L32-Y36 PolarHBondContact O-N 3.47Å; M34-Y36 PolarHBondContact O-N 3.12Å
37Y98.7Very high97.7Very high8 Ų850.9 Ų50.93%0.03125%0.252CS..Hα-helixtrans-67.7-44.3168.6173.9-97.5000112S33 M34 A35 D39 R40 K43 E89 W90 G91S33-Y37 WeakPolarHBondContact O-CB 3.46Å; S33-Y37 PolarHBondContact O-N 2.86Å; S33-Y37 VanDerWaalsContact O-N 3.08Å; M34-Y37 WeakPolarHBondContact O-CB 3.47Å; M34-Y37 PolarHBondContact O-N 2.9Å; A35-Y37 VanDerWaalsContact C-N 3.27Å; A35-Y37 PolarHBondContact O-N 3.4Å; Y37-D39 VanDerWaalsContact C-N 3.28Å; Y37-D39 PolarHBondContact O-N 3.17Å; Y37-R40 WeakPolarHBondContact O-CB 3.45Å; Y37-R40 WeakPolarHBondContact O-CD 3.5Å; Y37-R40 PolarHBondContact O-N 2.9Å; Y37-K43 HydrophobicContact CD1-CG 4.47Å; Y37-K43 HydrophobicContact CE1-CD 3.92Å; Y37-K43 HydrophobicContact CE1-CG 4.08Å; Y37-K43 HydrophobicContact CE2-CG 4.49Å; Y37-K43 VanDerWaalsContact CZ-CE 3.41Å; Y37-K43 WeakPolarHBondContact O-CG 3.44Å; Y37-K43 WeakPolarHBondContact OH-CE 3.42Å; Y37-K43 PolarHBondContact OH-NZ 3.08Å; Y37-E89 HydrophobicContact CE2-CB 4.39Å; Y37-E89 WeakPolarHBondContact CE2-OE2 3.26Å; Y37-W90 HydrophobicContact CD1-CB 3.69Å; Y37-W90 HydrophobicContact CD1-CG 4.28Å; Y37-W90 HydrophobicContact CE1-CB 3.77Å; Y37-W90 HydrophobicContact CG-CB 4.08Å; Y37-W90 AromaticContact CG-CD1 3.6Å; Y37-W90 HydrophobicContact CG-CG 4.24Å; Y37-G91 VanDerWaalsContact OH-C 3.27Å; Y37-G91 VanDerWaalsContact OH-CA 3.24Å; Y37-G91 WeakPolarHBondContact OH-CA 3.49Å; Y37-G91 PolarHBondContact OH-N 3.19Å; Y37-G91 PolarHBondContact OH-O 3.02Å
38F98.2Very high97.6Very high1 Ų150.9 Ų50.90%0.00425%0.252CS..Hα-helixtrans-75.9-15.7178.4-71.6-71.1000114M34 A35 R40 K43 S44 L45 F48 A49 F52 A96M34-F38 WeakPolarHBondContact O-CD2 3.39Å; M34-F38 PolarHBondContact O-N 2.91Å; A35-F38 PolarHBondContact O-N 3.28Å; F38-R40 VanDerWaalsContact C-N 3.32Å; F38-K43 HydrophobicContact CD1-CB 4.49Å; F38-S44 PolarHBondContact O-N 3.03Å; F38-L45 HydrophobicContact CB-CB 4.44Å; F38-L45 HydrophobicContact CD1-CB 4.03Å; F38-L45 HydrophobicContact CD1-CD1 3.9Å; F38-L45 HydrophobicContact CD1-CG 4.38Å; F38-L45 HydrophobicContact CE1-CD1 4.01Å; F38-L45 PolarHBondContact O-N 3.49Å; F38-L45 VanDerWaalsContact O-N 3.17Å; F38-F48 HydrophobicContact CB-CB 4.09Å; F38-F48 HydrophobicContact CD1-CB 4.2Å; F38-F48 HydrophobicContact CD2-CB 4.1Å; F38-F48 HydrophobicContact CE2-CD1 4.47Å; F38-F48 HydrophobicContact CG-CB 3.86Å; F38-F48 HydrophobicContact CZ-CD1 4.43Å; F38-A49 HydrophobicContact CB-CB 4.07Å; F38-F52 AromaticContact CD2-CD2 3.78Å; F38-F52 HydrophobicContact CD2-CD2 3.78Å; F38-F52 AromaticContact CD2-CE2 3.69Å; F38-F52 HydrophobicContact CD2-CE2 3.69Å; F38-F52 AromaticContact CE2-CD2 3.99Å; F38-F52 HydrophobicContact CE2-CD2 3.99Å; F38-F52 AromaticContact CE2-CE2 3.44Å; F38-F52 HydrophobicContact CE2-CE2 3.44Å; F38-F52 VanDerWaalsContact CE2-CE2 3.44Å; F38-F52 HydrophobicContact CE2-CZ 4.44Å; F38-F52 HydrophobicContact CZ-CE2 4.44Å; F38-A96 HydrophobicContact CE2-CB 3.5Å; F38-A96 HydrophobicContact CZ-CB 3.56Å
39D98.3Very high97.6Very high106 Ų10651.2 Ų51.257%0.56726%0.255SS*.THydrogen-bonded Turntrans-78-11.4173.4-165.653.6000113.7A35 Y37 A49A35-D39 PolarHBondContact O-N 3.4Å; Y37-D39 VanDerWaalsContact C-N 3.28Å; Y37-D39 PolarHBondContact O-N 3.17Å; D39-A49 HydrophobicContact CB-CB 4.31Å
40R98.4Very high97.6Very high78 Ų7850.7 Ų50.729%0.29426%0.255SS..SBendtrans-63.9150.4176.3-69.716451.1167.9-3.5111.9Y37 F38 D42 K43 S44 E89Y37-R40 WeakPolarHBondContact O-CB 3.45Å; Y37-R40 WeakPolarHBondContact O-CD 3.5Å; Y37-R40 PolarHBondContact O-N 2.9Å; F38-R40 VanDerWaalsContact C-N 3.32Å; R40-D42 WeakPolarHBondContact CB-OD1 3.37Å; R40-D42 IonicContact CZ-OD1 3.58Å; R40-D42 IonicContact CZ-OD2 3.07Å; R40-D42 IonicContact NE-OD1 3.82Å; R40-D42 PolarHBondContact NE-OD1 3.28Å; R40-D42 IonicContact NE-OD2 2.83Å; R40-D42 IonicContact NH2-OD1 3.89Å; R40-D42 PolarHBondContact NH2-OD1 3.48Å; R40-D42 IonicContact NH2-OD2 3.29Å; R40-D42 PolarHBondContact NH2-OD2 2.93Å; R40-D42 PolarHBondContact O-N 3.18Å; R40-K43 HydrophobicContact CB-CG 4.49Å; R40-K43 PolarHBondContact O-N 3.27Å; R40-K43 VanDerWaalsContact O-N 3.08Å; R40-S44 PolarHBondContact O-N 2.95Å; R40-E89 IonicContact CZ-OE1 3.18Å; R40-E89 VanDerWaalsContact NH1-CD 3.33Å; R40-E89 IonicContact NH1-OE1 2.74Å; R40-E89 PolarHBondContact NH1-OE1 3.49Å; R40-E89 IonicContact NH1-OE2 3.15Å; R40-E89 PolarHBondContact NH1-OE2 3.36Å; R40-E89 IonicContact NH2-OE1 2.86Å; R40-E89 IonicContact NH2-OE2 3.29Å
41D97.4Very high97.5Very high156 Ų15651 Ų5183%0.83426%0.256SS*.THydrogen-bonded Turntrans-62.3-29.8178.563.5-68.5000113.3K43D41-K43 VanDerWaalsContact C-N 3.32Å
42D94.8Very high97.5Very high89 Ų8951 Ų5148%0.47626%0.256SS..THydrogen-bonded Turntrans-86.32.2178.370.4-26.8000114.3R40R40-D42 WeakPolarHBondContact CB-OD1 3.37Å; R40-D42 IonicContact CZ-OD1 3.58Å; R40-D42 IonicContact CZ-OD2 3.07Å; R40-D42 IonicContact NE-OD1 3.82Å; R40-D42 PolarHBondContact NE-OD1 3.28Å; R40-D42 IonicContact NE-OD2 2.83Å; R40-D42 IonicContact NH2-OD1 3.89Å; R40-D42 PolarHBondContact NH2-OD1 3.48Å; R40-D42 IonicContact NH2-OD2 3.29Å; R40-D42 PolarHBondContact NH2-OD2 2.93Å; R40-D42 PolarHBondContact O-N 3.18Å
43K95.4Very high97.5Very high71 Ų7150 Ų5031%0.30925%0.251SS..THydrogen-bonded Turntrans-120.5-53.5173.3-62.1-66.1164.2173.70111.9Y37 F38 R40 D41 L45 G91Y37-K43 HydrophobicContact CD1-CG 4.47Å; Y37-K43 HydrophobicContact CE1-CD 3.92Å; Y37-K43 HydrophobicContact CE1-CG 4.08Å; Y37-K43 HydrophobicContact CE2-CG 4.49Å; Y37-K43 VanDerWaalsContact CZ-CE 3.41Å; Y37-K43 WeakPolarHBondContact O-CG 3.44Å; Y37-K43 WeakPolarHBondContact OH-CE 3.42Å; Y37-K43 PolarHBondContact OH-NZ 3.08Å; F38-K43 HydrophobicContact CD1-CB 4.49Å; R40-K43 HydrophobicContact CB-CG 4.49Å; R40-K43 PolarHBondContact O-N 3.27Å; R40-K43 VanDerWaalsContact O-N 3.08Å; D41-K43 VanDerWaalsContact C-N 3.32Å; K43-L45 VanDerWaalsContact C-N 3.32Å; K43-L45 PolarHBondContact O-N 3.42Å; K43-G91 PolarHBondContact NZ-O 3.3Å
44S93.6Very high97.4Very high85 Ų8550.8 Ų50.859%0.59426%0.259SS*.  trans51.441.9169.8-172.40000115F38 R40F38-S44 PolarHBondContact O-N 3.03Å; R40-S44 PolarHBondContact O-N 2.95Å
45L95.7Very high97.4Very high16 Ų1651.5 Ų51.58%0.08426%0.262CS..  trans-10682.6173.9-64178.2000109.7F38 K43 N47 F48 A49 E164 D168F38-L45 HydrophobicContact CB-CB 4.44Å; F38-L45 HydrophobicContact CD1-CB 4.03Å; F38-L45 HydrophobicContact CD1-CD1 3.9Å; F38-L45 HydrophobicContact CD1-CG 4.38Å; F38-L45 HydrophobicContact CE1-CD1 4.01Å; F38-L45 PolarHBondContact O-N 3.49Å; F38-L45 VanDerWaalsContact O-N 3.17Å; K43-L45 VanDerWaalsContact C-N 3.32Å; K43-L45 PolarHBondContact O-N 3.42Å; L45-N47 PolarHBondContact O-N 2.9Å; L45-F48 HydrophobicContact CB-CB 3.99Å; L45-F48 HydrophobicContact CB-CD2 3.97Å; L45-F48 HydrophobicContact CB-CG 4.29Å; L45-F48 HydrophobicContact CD1-CD2 4.03Å; L45-F48 HydrophobicContact CD1-CE2 4.3Å; L45-F48 HydrophobicContact CD1-CG 4.47Å; L45-F48 WeakPolarHBondContact O-CB 3.41Å; L45-F48 PolarHBondContact O-N 3.48Å; L45-A49 PolarHBondContact O-N 2.85Å; L45-E164 HydrophobicContact CD1-CB 4.22Å; L45-D168 HydrophobicContact CD2-CB 4.06Å
46E96.3Very high97.4Very high100 Ų10051.7 Ų51.747%0.46726%0.264SS..Hα-helixtrans-59.7-39.1-169.9-171.6-170.216300113.7A49 K50E46-A49 WeakPolarHBondContact O-CB 3.36Å; E46-A49 PolarHBondContact O-N 2.86Å; E46-K50 WeakPolarHBondContact O-CG 3.35Å; E46-K50 PolarHBondContact O-N 3.23Å; E46-K50 WeakPolarHBondContact OE1-CE 3.48Å; E46-K50 IonicContact OE1-NZ 2.68Å; E46-K50 PolarHBondContact OE1-NZ 3.48Å
47N97.7Very high97.5Very high15 Ų1551 Ų518%0.0826%0.264CS..Hα-helixtrans-79.2-28.4-177.2-61.6-32.6000111.5L45 F51 D168 M172 G173L45-N47 PolarHBondContact O-N 2.9Å; N47-F51 VanDerWaalsContact O-CB 3.28Å; N47-F51 WeakPolarHBondContact O-CB 3.39Å; N47-F51 PolarHBondContact O-N 3.47Å; N47-D168 WeakPolarHBondContact CA-OD1 3.37Å; N47-D168 WeakPolarHBondContact CB-O 3.39Å; N47-D168 VanDerWaalsContact CB-OD1 3.3Å; N47-D168 WeakPolarHBondContact CB-OD1 3.48Å; N47-D168 PolarHBondContact N-OD1 3Å; N47-D168 PolarHBondContact ND2-O 2.99Å; N47-M172 HydrophobicContact CB-CB 3.72Å; N47-G173 WeakPolarHBondContact ND2-CA 3.49Å
48F97.4Very high97.4Very high0 Ų053.7 Ų53.70%028%0.277CS..Hα-helixtrans-60.6-46.6164-85-97.8000111.6F38 L45 K50 F51 F52 L97 L152 F167 D168 M172F38-F48 HydrophobicContact CB-CB 4.09Å; F38-F48 HydrophobicContact CD1-CB 4.2Å; F38-F48 HydrophobicContact CD2-CB 4.1Å; F38-F48 HydrophobicContact CE2-CD1 4.47Å; F38-F48 HydrophobicContact CG-CB 3.86Å; F38-F48 HydrophobicContact CZ-CD1 4.43Å; L45-F48 HydrophobicContact CB-CB 3.99Å; L45-F48 HydrophobicContact CB-CD2 3.97Å; L45-F48 HydrophobicContact CB-CG 4.29Å; L45-F48 HydrophobicContact CD1-CD2 4.03Å; L45-F48 HydrophobicContact CD1-CE2 4.3Å; L45-F48 HydrophobicContact CD1-CG 4.47Å; L45-F48 WeakPolarHBondContact O-CB 3.41Å; L45-F48 PolarHBondContact O-N 3.48Å; F48-K50 PolarHBondContact O-N 2.95Å; F48-F51 PolarHBondContact O-N 3.06Å; F48-F52 HydrophobicContact CB-CE2 4.5Å; F48-F52 AromaticContact CD1-CE2 3.88Å; F48-F52 HydrophobicContact CD1-CE2 3.88Å; F48-F52 HydrophobicContact CD1-CZ 4.46Å; F48-F52 WeakPolarHBondContact O-CD2 3.4Å; F48-F52 PolarHBondContact O-N 2.99Å; F48-L97 HydrophobicContact CE1-CD1 3.84Å; F48-L97 HydrophobicContact CE1-CG 4.11Å; F48-L97 HydrophobicContact CZ-CD1 4.32Å; F48-L152 HydrophobicContact CZ-CD1 4.24Å; F48-F167 AromaticContact CE2-CD1 3.87Å; F48-F167 HydrophobicContact CE2-CD1 3.87Å; F48-F167 AromaticContact CZ-CD1 3.75Å; F48-F167 HydrophobicContact CZ-CD1 3.75Å; F48-F167 HydrophobicContact CZ-CE1 4.24Å; F48-D168 HydrophobicContact CD2-CB 3.96Å; F48-D168 HydrophobicContact CE2-CB 4.1Å; F48-D168 PolarHBondContact N-OD1 3.28Å; F48-D168 VanDerWaalsContact N-OD1 3.11Å; F48-M172 VanDerWaalsContact CA-SD 3.55Å; F48-M172 HydrophobicContact CB-SD 4.08Å; F48-M172 HydrophobicContact CD1-CE 3.39Å; F48-M172 HydrophobicContact CD1-SD 3.74Å; F48-M172 HydrophobicContact CD2-CE 4.06Å; F48-M172 HydrophobicContact CD2-SD 3.48Å; F48-M172 WeakPolarHBondContact CD2-SD 3.37Å; F48-M172 HydrophobicContact CE1-CE 3.24Å; F48-M172 HydrophobicContact CE1-SD 4.02Å; F48-M172 HydrophobicContact CE2-CE 3.93Å; F48-M172 HydrophobicContact CE2-SD 3.77Å; F48-M172 HydrophobicContact CG-CE 3.81Å; F48-M172 HydrophobicContact CG-SD 3.47Å; F48-M172 WeakPolarHBondContact CG-SD 3.49Å; F48-M172 HydrophobicContact CZ-CE 3.54Å; F48-M172 HydrophobicContact CZ-SD 4.03Å
49A97.9Very high97.4Very high10 Ų1053.7 Ų53.78%0.08328%0.277CS..Hα-helixtrans-60.3-45.5177.700000111.6A35 F38 D39 L45 E46 N53A35-A49 WeakPolarHBondContact CB-O 3.39Å; A35-A49 WeakPolarHBondContact O-CB 3.44Å; F38-A49 HydrophobicContact CB-CB 4.07Å; D39-A49 HydrophobicContact CB-CB 4.31Å; L45-A49 PolarHBondContact O-N 2.85Å; E46-A49 WeakPolarHBondContact O-CB 3.36Å; E46-A49 PolarHBondContact O-N 2.86Å; A49-N53 VanDerWaalsContact O-CB 3.28Å; A49-N53 WeakPolarHBondContact O-CB 3.45Å; A49-N53 PolarHBondContact O-N 2.76Å
50K98Very high97.5Very high91 Ų9153.1 Ų53.140%0.39627%0.266SS..Hα-helixtrans-60.9-47.2175.4-74.4174-174.61630112.4E46 F48 N53 A54 T176E46-K50 WeakPolarHBondContact O-CG 3.35Å; E46-K50 PolarHBondContact O-N 3.23Å; E46-K50 WeakPolarHBondContact OE1-CE 3.48Å; E46-K50 IonicContact OE1-NZ 2.68Å; E46-K50 PolarHBondContact OE1-NZ 3.48Å; F48-K50 PolarHBondContact O-N 2.95Å; K50-N53 PolarHBondContact O-N 3.06Å; K50-A54 PolarHBondContact O-N 3.41Å; K50-T176 HydrophobicContact CB-CG2 4.43Å
51F97.9Very high97.5Very high12 Ų1255.4 Ų55.45%0.05328%0.28CS..Hα-helixtrans-56.9-55178.7168.5-104.1000111.1N47 F48 N53 A54 Q55 L97 L145 W148 M172 T176N47-F51 VanDerWaalsContact O-CB 3.28Å; N47-F51 WeakPolarHBondContact O-CB 3.39Å; N47-F51 PolarHBondContact O-N 3.47Å; F48-F51 PolarHBondContact O-N 3.06Å; F51-N53 VanDerWaalsContact C-N 3.27Å; F51-N53 PolarHBondContact O-N 2.77Å; F51-A54 WeakPolarHBondContact O-CB 3.28Å; F51-A54 PolarHBondContact O-N 3.1Å; F51-Q55 HydrophobicContact CD1-CG 4.5Å; F51-Q55 HydrophobicContact CD2-CG 4.25Å; F51-Q55 HydrophobicContact CE1-CG 4.01Å; F51-Q55 HydrophobicContact CE2-CG 3.73Å; F51-Q55 HydrophobicContact CZ-CG 3.6Å; F51-Q55 WeakPolarHBondContact O-CG 3.41Å; F51-Q55 PolarHBondContact O-N 2.99Å; F51-L97 HydrophobicContact CE1-CD2 4.13Å; F51-L145 HydrophobicContact CE1-CD2 4.2Å; F51-L145 HydrophobicContact CZ-CD2 4.02Å; F51-W148 AromaticContact CD1-CZ3 3.97Å; F51-W148 HydrophobicContact CD1-CZ3 3.97Å; F51-W148 AromaticContact CD2-CH2 3.64Å; F51-W148 HydrophobicContact CD2-CH2 3.64Å; F51-W148 AromaticContact CD2-CZ3 3.64Å; F51-W148 HydrophobicContact CD2-CZ3 3.64Å; F51-W148 AromaticContact CE1-CZ3 3.79Å; F51-W148 HydrophobicContact CE1-CZ3 3.79Å; F51-W148 AromaticContact CE2-CH2 3.57Å; F51-W148 HydrophobicContact CE2-CH2 3.57Å; F51-W148 AromaticContact CE2-CZ3 3.44Å; F51-W148 HydrophobicContact CE2-CZ3 3.44Å; F51-W148 VanDerWaalsContact CE2-CZ3 3.44Å; F51-W148 HydrophobicContact CG-CH2 4.25Å; F51-W148 AromaticContact CG-CZ3 3.9Å; F51-W148 HydrophobicContact CG-CZ3 3.9Å; F51-W148 HydrophobicContact CZ-CE3 4.4Å; F51-W148 HydrophobicContact CZ-CH2 4.14Å; F51-W148 AromaticContact CZ-CZ3 3.52Å; F51-W148 HydrophobicContact CZ-CZ3 3.52Å; F51-M172 HydrophobicContact CB-SD 4.17Å; F51-M172 HydrophobicContact CD1-CE 4.24Å; F51-T176 HydrophobicContact CB-CG2 4.34Å
52F98.4Very high97.5Very high0 Ų048.2 Ų48.20%024%0.242CC..Hα-helixtrans-65.9-30.3180-67.7-54000112.7Y31 M34 A35 F38 F48 Q55 S56 A96 L97 A100Y31-F52 HydrophobicContact CD1-CB 4.5Å; Y31-F52 AromaticContact CD1-CD1 3.55Å; Y31-F52 HydrophobicContact CD1-CD1 3.55Å; Y31-F52 HydrophobicContact CD1-CE1 4.22Å; Y31-F52 HydrophobicContact CD1-CG 4.43Å; Y31-F52 AromaticContact CE1-CD1 3.8Å; Y31-F52 HydrophobicContact CE1-CD1 3.8Å; Y31-F52 HydrophobicContact CE1-CE1 4.08Å; M34-F52 HydrophobicContact CB-CB 4.09Å; M34-F52 HydrophobicContact CB-CD1 4.21Å; M34-F52 HydrophobicContact CB-CD2 3.81Å; M34-F52 HydrophobicContact CB-CE2 4.24Å; M34-F52 HydrophobicContact CB-CG 3.79Å; M34-F52 HydrophobicContact SD-CD1 4Å; M34-F52 HydrophobicContact SD-CE1 3.78Å; M34-F52 HydrophobicContact SD-CZ 4.14Å; A35-F52 HydrophobicContact CB-CB 3.88Å; F38-F52 AromaticContact CD2-CD2 3.78Å; F38-F52 HydrophobicContact CD2-CD2 3.78Å; F38-F52 AromaticContact CD2-CE2 3.69Å; F38-F52 HydrophobicContact CD2-CE2 3.69Å; F38-F52 AromaticContact CE2-CD2 3.99Å; F38-F52 HydrophobicContact CE2-CD2 3.99Å; F38-F52 AromaticContact CE2-CE2 3.44Å; F38-F52 HydrophobicContact CE2-CE2 3.44Å; F38-F52 VanDerWaalsContact CE2-CE2 3.44Å; F38-F52 HydrophobicContact CE2-CZ 4.44Å; F38-F52 HydrophobicContact CZ-CE2 4.44Å; F48-F52 HydrophobicContact CB-CE2 4.5Å; F48-F52 AromaticContact CD1-CE2 3.88Å; F48-F52 HydrophobicContact CD1-CE2 3.88Å; F48-F52 HydrophobicContact CD1-CZ 4.46Å; F48-F52 WeakPolarHBondContact O-CD2 3.4Å; F48-F52 PolarHBondContact O-N 2.99Å; F52-Q55 PolarHBondContact O-N 2.61Å; F52-S56 WeakPolarHBondContact O-CB 3.34Å; F52-S56 PolarHBondContact O-N 3.29Å; F52-A96 HydrophobicContact CE2-CB 4.12Å; F52-A96 HydrophobicContact CZ-CB 3.96Å; F52-L97 HydrophobicContact CE1-CD2 4.24Å; F52-L97 HydrophobicContact CZ-CD2 3.97Å; F52-L97 HydrophobicContact CZ-CG 4.35Å; F52-A100 HydrophobicContact CE1-CB 4.19Å
53N98.4Very high97.7Very high40 Ų4044 Ų4421%0.21422%0.219CC..Hα-helixtrans-66.1-38.8172.5-169.2-90.4000112A35 A49 K50 F51 S56 K57A35-N53 HydrophobicContact CB-CB 4.03Å; A49-N53 VanDerWaalsContact O-CB 3.28Å; A49-N53 WeakPolarHBondContact O-CB 3.45Å; A49-N53 PolarHBondContact O-N 2.76Å; K50-N53 PolarHBondContact O-N 3.06Å; F51-N53 VanDerWaalsContact C-N 3.27Å; F51-N53 PolarHBondContact O-N 2.77Å; N53-S56 PolarHBondContact O-N 3.46Å; N53-K57 WeakPolarHBondContact O-CG 3.42Å; N53-K57 PolarHBondContact O-N 3.28Å; N53-K57 WeakPolarHBondContact OD1-CE 3.47Å; N53-K57 PolarHBondContact OD1-NZ 3.09Å
54A98.1Very high97.9Very high47 Ų4746 Ų4639%0.38823%0.23SC..Hα-helixtrans-65-47.1174.900000110.9K50 F51 S56 K57 E58K50-A54 PolarHBondContact O-N 3.41Å; F51-A54 WeakPolarHBondContact O-CB 3.28Å; F51-A54 PolarHBondContact O-N 3.1Å; A54-S56 VanDerWaalsContact C-N 3.31Å; A54-S56 PolarHBondContact O-N 3.4Å; A54-K57 WeakPolarHBondContact O-CB 3.5Å; A54-K57 PolarHBondContact O-N 2.89Å; A54-E58 PolarHBondContact O-N 2.87Å
55Q98.4Very high98.1Very high14 Ų1444.8 Ų44.87%0.06521%0.214CC..Hα-helixtrans-59.3-40.8175.1-64-61.2-77.600111.9Y31 F51 F52 K57 E58 E59Y31-Q55 HydrophobicContact CD1-CB 3.97Å; Y31-Q55 HydrophobicContact CD2-CB 3.83Å; Y31-Q55 HydrophobicContact CE1-CB 4.12Å; Y31-Q55 HydrophobicContact CE2-CB 3.99Å; Y31-Q55 HydrophobicContact CG-CB 3.82Å; F51-Q55 HydrophobicContact CD1-CG 4.5Å; F51-Q55 HydrophobicContact CD2-CG 4.25Å; F51-Q55 HydrophobicContact CE1-CG 4.01Å; F51-Q55 HydrophobicContact CE2-CG 3.73Å; F51-Q55 HydrophobicContact CZ-CG 3.6Å; F51-Q55 WeakPolarHBondContact O-CG 3.41Å; F51-Q55 PolarHBondContact O-N 2.99Å; F52-Q55 PolarHBondContact O-N 2.61Å; Q55-K57 PolarHBondContact O-N 3.4Å; Q55-E58 PolarHBondContact NE2-OE2 2.96Å; Q55-E58 PolarHBondContact O-N 3.19Å; Q55-E59 WeakPolarHBondContact O-CG 3.42Å; Q55-E59 PolarHBondContact O-N 3.4Å
56S98.8Very high98.3Very high8 Ų844 Ų446%0.05621%0.21CC..Hα-helixtrans-57.9-36.5174.8-177.60000113.4S28 F52 N53 A54 R60S28-S56 WeakPolarHBondContact CB-O 3.49Å; S28-S56 WeakPolarHBondContact O-CB 3.39Å; S28-S56 PolarHBondContact O-OG 2.94Å; S28-S56 PolarHBondContact OG-O 3.4Å; F52-S56 WeakPolarHBondContact O-CB 3.34Å; F52-S56 PolarHBondContact O-N 3.29Å; N53-S56 PolarHBondContact O-N 3.46Å; A54-S56 VanDerWaalsContact C-N 3.31Å; A54-S56 PolarHBondContact O-N 3.4Å; S56-R60 PolarHBondContact O-N 3.1Å
57K98.6Very high98.4Very high125 Ų12541.6 Ų41.654%0.54320%0.199SC..Hα-helixtrans-75.1-43.6176.5-69.8165.8176157.40111.5N53 A54 Q55 E59 R60 E61N53-K57 WeakPolarHBondContact O-CG 3.42Å; N53-K57 PolarHBondContact O-N 3.28Å; N53-K57 WeakPolarHBondContact OD1-CE 3.47Å; N53-K57 PolarHBondContact OD1-NZ 3.09Å; A54-K57 WeakPolarHBondContact O-CB 3.5Å; A54-K57 PolarHBondContact O-N 2.89Å; Q55-K57 PolarHBondContact O-N 3.4Å; K57-E59 VanDerWaalsContact C-N 3.34Å; K57-E59 PolarHBondContact O-N 2.92Å; K57-R60 WeakPolarHBondContact O-CA 3.31Å; K57-R60 VanDerWaalsContact O-CB 3.26Å; K57-R60 WeakPolarHBondContact O-CB 3.35Å; K57-R60 PolarHBondContact O-N 3.19Å; K57-E61 PolarHBondContact O-N 3.31Å
58E98Very high98.4Very high64 Ų6443.4 Ų43.430%0.29921%0.213SC..Hα-helixtrans-57.4-46.8176.2-171.5170.7-174.300111.1A54 Q55 R60 E61 H62A54-E58 PolarHBondContact O-N 2.87Å; Q55-E58 PolarHBondContact NE2-OE2 2.96Å; Q55-E58 PolarHBondContact O-N 3.19Å; E58-R60 VanDerWaalsContact C-N 3.25Å; E58-R60 PolarHBondContact O-N 3.06Å; E58-E61 CarbonylContact O-C 3.6Å; E58-E61 WeakPolarHBondContact O-CA 3.43Å; E58-E61 WeakPolarHBondContact O-CB 3.44Å; E58-E61 PolarHBondContact O-N 3.4Å; E58-H62 PolarHBondContact O-CD2 2.87Å; E58-H62 PolarHBondContact O-N 3Å
59E98.5Very high98.5Very high1 Ų143.6 Ų43.61%0.00521%0.214CC..Hα-helixtrans-65.1-28.5175.5-65.3-49.8153.100113.6A27 Y31 Q55 K57 H62 A63A27-E59 HydrophobicContact CB-CB 4.36Å; A27-E59 HydrophobicContact CB-CG 3.95Å; Y31-E59 HydrophobicContact CD2-CG 3.86Å; Y31-E59 HydrophobicContact CE2-CG 3.96Å; Q55-E59 WeakPolarHBondContact O-CG 3.42Å; Q55-E59 PolarHBondContact O-N 3.4Å; K57-E59 VanDerWaalsContact C-N 3.34Å; K57-E59 PolarHBondContact O-N 2.92Å; E59-H62 WeakPolarHBondContact O-CB 3.34Å; E59-H62 PolarHBondContact O-N 3.12Å; E59-H62 IonicContact OE1-ND1 2.72Å; E59-H62 IonicContact OE2-CE1 3.99Å; E59-H62 IonicContact OE2-CG 3.9Å; E59-H62 IonicContact OE2-ND1 3.65Å; E59-H62 PolarHBondContact OE2-ND1 3.46Å; E59-A63 PolarHBondContact O-N 3.46Å
60R98.7Very high98.5Very high93 Ų9343.1 Ų43.135%0.35121%0.21SC..Hα-helixtrans-67-42.9171.6-175.958.554146.90.5110.8S28 S56 K57 E58 H62 A63 E64S28-R60 PolarHBondContact OG-NH2 3.42Å; S56-R60 PolarHBondContact O-N 3.1Å; K57-R60 WeakPolarHBondContact O-CA 3.31Å; K57-R60 VanDerWaalsContact O-CB 3.26Å; K57-R60 WeakPolarHBondContact O-CB 3.35Å; K57-R60 PolarHBondContact O-N 3.19Å; E58-R60 VanDerWaalsContact C-N 3.25Å; E58-R60 PolarHBondContact O-N 3.06Å; R60-H62 VanDerWaalsContact C-N 3.32Å; R60-A63 WeakPolarHBondContact O-CB 3.44Å; R60-A63 PolarHBondContact O-N 2.99Å; R60-E64 WeakPolarHBondContact O-CG 3.46Å; R60-E64 PolarHBondContact O-N 3.09Å
61E98.6Very high98.6Very high126 Ų12643 Ų4359%0.58921%0.214SC*.Hα-helixtrans-63.8-37.9175.8-67.1179.9-171.100111.3K57 E58 E64 K65K57-E61 PolarHBondContact O-N 3.31Å; E58-E61 CarbonylContact O-C 3.6Å; E58-E61 WeakPolarHBondContact O-CA 3.43Å; E58-E61 WeakPolarHBondContact O-CB 3.44Å; E58-E61 PolarHBondContact O-N 3.4Å; E61-E64 PolarHBondContact O-N 3.42Å; E61-K65 VanDerWaalsContact O-CB 3.31Å; E61-K65 WeakPolarHBondContact O-CB 3.29Å; E61-K65 PolarHBondContact O-N 3.11Å
62H98.7Very high98.6Very high6 Ų649.6 Ų49.63%0.02824%0.242CC..Hα-helixtrans-58.1-48.7171.8-67.5169.1000112.3E24 E58 E59 R60 E64 K65 L66 F134 E137E24-H62 HydrophobicContact CB-CB 4.33Å; E24-H62 HydrophobicContact CG-CB 4.03Å; E58-H62 PolarHBondContact O-CD2 2.87Å; E58-H62 PolarHBondContact O-N 3Å; E59-H62 WeakPolarHBondContact O-CB 3.34Å; E59-H62 PolarHBondContact O-N 3.12Å; E59-H62 IonicContact OE1-ND1 2.72Å; E59-H62 IonicContact OE2-CE1 3.99Å; E59-H62 IonicContact OE2-CG 3.9Å; E59-H62 IonicContact OE2-ND1 3.65Å; E59-H62 PolarHBondContact OE2-ND1 3.46Å; R60-H62 VanDerWaalsContact C-N 3.32Å; H62-E64 VanDerWaalsContact C-N 3.33Å; H62-E64 PolarHBondContact O-N 3.18Å; H62-K65 WeakPolarHBondContact O-CB 3.38Å; H62-K65 PolarHBondContact O-N 3.25Å; H62-L66 PolarHBondContact O-N 2.92Å; H62-L66 VanDerWaalsContact O-N 3.08Å; H62-F134 HydrophobicContact CB-CE1 3.96Å; H62-E137 IonicContact CD2-OE2 3.46Å; H62-E137 IonicContact CE1-OE2 3.81Å; H62-E137 IonicContact NE2-OE2 2.67Å; H62-E137 PolarHBondContact NE2-OE2 3.48Å
63A98.8Very high98.6Very high0 Ų050.8 Ų50.80%025%0.247CC..Hα-helixtrans-57.8-45.9175.600000111.8E24 L25 E59 R60 L66 M67E24-A63 HydrophobicContact CB-CB 3.81Å; L25-A63 HydrophobicContact CD2-CB 3.74Å; L25-A63 HydrophobicContact CG-CB 3.78Å; E59-A63 PolarHBondContact O-N 3.46Å; R60-A63 WeakPolarHBondContact O-CB 3.44Å; R60-A63 PolarHBondContact O-N 2.99Å; A63-L66 PolarHBondContact O-N 2.99Å; A63-M67 VanDerWaalsContact O-CG 3.31Å; A63-M67 WeakPolarHBondContact O-CG 3.3Å; A63-M67 PolarHBondContact O-N 3.41Å
64E98.8Very high98.6Very high113 Ų11348.9 Ų48.953%0.52824%0.237SC..Hα-helixtrans-66.3-36.9179.4-71177.9-173.200112.4R60 E61 H62 L66 M67 S68R60-E64 WeakPolarHBondContact O-CG 3.46Å; R60-E64 PolarHBondContact O-N 3.09Å; E61-E64 PolarHBondContact O-N 3.42Å; H62-E64 VanDerWaalsContact C-N 3.33Å; H62-E64 PolarHBondContact O-N 3.18Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 2.88Å; E64-M67 PolarHBondContact O-N 3.3Å; E64-S68 WeakPolarHBondContact O-CB 3.35Å; E64-S68 PolarHBondContact O-N 2.86Å
65K98.8Very high98.6Very high59 Ų5946.7 Ų46.726%0.25722%0.218SC..Hα-helixtrans-59.5-43.7174.2-161.8-171.9-67.4165.60110.4E61 H62 S68 L69 F129 H133 F134 E137E61-K65 VanDerWaalsContact O-CB 3.31Å; E61-K65 WeakPolarHBondContact O-CB 3.29Å; E61-K65 PolarHBondContact O-N 3.11Å; H62-K65 WeakPolarHBondContact O-CB 3.38Å; H62-K65 PolarHBondContact O-N 3.25Å; K65-S68 WeakPolarHBondContact O-CB 3.21Å; K65-S68 PolarHBondContact O-N 3.42Å; K65-L69 PolarHBondContact O-N 3.46Å; K65-F129 HydrophobicContact CD-CZ 4.39Å; K65-F129 HydrophobicContact CG-CE2 4.45Å; K65-F129 HydrophobicContact CG-CZ 4.03Å; K65-H133 HydrophobicContact CD-CB 3.82Å; K65-H133 PolarHBondContact NZ-O 3.02Å; K65-F134 HydrophobicContact CB-CZ 4.28Å; K65-F134 HydrophobicContact CD-CE2 3.89Å; K65-F134 HydrophobicContact CD-CZ 3.84Å; K65-F134 HydrophobicContact CG-CZ 4.35Å; K65-E137 IonicContact NZ-OE1 3.83Å; K65-E137 IonicContact NZ-OE2 2.83Å
66L98.8Very high98.6Very high0 Ų051.7 Ų51.70%024%0.237CC..Hα-helixtrans-68.2-40.7174.9-70.3165.3000112.9I17 Q20 I21 E24 H62 A63 E64 S68 L69 Q70 F129 F134I17-L66 HydrophobicContact CG2-CB 4.39Å; Q20-L66 HydrophobicContact CB-CD1 3.99Å; Q20-L66 HydrophobicContact CG-CD1 3.5Å; Q20-L66 VanDerWaalsContact CG-CD1 3.5Å; I21-L66 HydrophobicContact CD1-CB 4.22Å; I21-L66 HydrophobicContact CG1-CB 3.5Å; I21-L66 HydrophobicContact CG1-CD1 4.33Å; E24-L66 HydrophobicContact CG-CD1 3.69Å; H62-L66 PolarHBondContact O-N 2.92Å; H62-L66 VanDerWaalsContact O-N 3.08Å; A63-L66 PolarHBondContact O-N 2.99Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 2.88Å; L66-S68 VanDerWaalsContact C-N 3.29Å; L66-S68 PolarHBondContact O-N 3.43Å; L66-L69 WeakPolarHBondContact O-CB 3.44Å; L66-L69 PolarHBondContact O-N 3.03Å; L66-Q70 WeakPolarHBondContact O-CB 3.34Å; L66-Q70 PolarHBondContact O-N 3.3Å; L66-F129 HydrophobicContact CD2-CE1 3.99Å; L66-F134 HydrophobicContact CD1-CE1 4.19Å; L66-F134 HydrophobicContact CD1-CZ 4.32Å; L66-F134 HydrophobicContact CD2-CE1 4.45Å; L66-F134 HydrophobicContact CD2-CE2 4.33Å; L66-F134 HydrophobicContact CD2-CZ 3.92Å; L66-F134 HydrophobicContact CG-CE1 4.1Å; L66-F134 HydrophobicContact CG-CZ 3.72Å
67M98.8Very high98.6Very high50 Ų5053.5 Ų53.525%0.24625%0.245CC..Hα-helixtrans-60.3-41.3174.1-71173.48100111.3I21 A63 E64 Q70 N71 I77 L79I21-M67 HydrophobicContact CD1-CB 4.44Å; I21-M67 HydrophobicContact CD1-CG 3.72Å; I21-M67 HydrophobicContact CG1-CG 4.03Å; I21-M67 HydrophobicContact CG2-CG 3.87Å; I21-M67 HydrophobicContact CG2-SD 4.25Å; A63-M67 VanDerWaalsContact O-CG 3.31Å; A63-M67 WeakPolarHBondContact O-CG 3.3Å; A63-M67 PolarHBondContact O-N 3.41Å; E64-M67 PolarHBondContact O-N 3.3Å; M67-Q70 PolarHBondContact O-N 3.3Å; M67-N71 PolarHBondContact O-N 3.48Å; M67-N71 PolarHBondContact O-ND2 3.44Å; M67-I77 HydrophobicContact CB-CD1 3.71Å; M67-I77 HydrophobicContact CE-CD1 4.01Å; M67-I77 HydrophobicContact CE-CG2 4.25Å; M67-I77 HydrophobicContact CG-CD1 3.99Å; M67-L79 HydrophobicContact CE-CD2 4.22Å
68S98.7Very high98.6Very high53 Ų5353.6 Ų53.637%0.37125%0.246SC..Hα-helixtrans-62.5-46.2174.2-171.80000111.5E64 K65 L66 Q70 N71 K72E64-S68 WeakPolarHBondContact O-CB 3.35Å; E64-S68 PolarHBondContact O-N 2.86Å; K65-S68 WeakPolarHBondContact O-CB 3.21Å; K65-S68 PolarHBondContact O-N 3.42Å; L66-S68 VanDerWaalsContact C-N 3.29Å; L66-S68 PolarHBondContact O-N 3.43Å; S68-Q70 PolarHBondContact O-N 2.84Å; S68-N71 PolarHBondContact O-N 3.07Å; S68-K72 WeakPolarHBondContact O-CB 3.45Å; S68-K72 VanDerWaalsContact O-CG 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.35Å; S68-K72 PolarHBondContact O-N 3.26Å
69L98.6Very high98.6Very high4 Ų455.7 Ų55.72%0.02126%0.259CS..Hα-helixtrans-57.7-48.7174.517668.7000111.8I17 K65 L66 N71 K72 R73 F129I17-L69 HydrophobicContact CD1-CD2 3.62Å; I17-L69 HydrophobicContact CD1-CG 4.21Å; K65-L69 PolarHBondContact O-N 3.46Å; L66-L69 WeakPolarHBondContact O-CB 3.44Å; L66-L69 PolarHBondContact O-N 3.03Å; L69-N71 VanDerWaalsContact C-N 3.26Å; L69-N71 PolarHBondContact O-N 3.08Å; L69-K72 WeakPolarHBondContact O-CB 3.19Å; L69-K72 PolarHBondContact O-N 3.18Å; L69-K72 VanDerWaalsContact O-N 3.08Å; L69-R73 HydrophobicContact CD1-CG 3.77Å; L69-R73 HydrophobicContact CG-CG 4.27Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.45Å; L69-F129 HydrophobicContact CB-CE1 4.17Å; L69-F129 HydrophobicContact CB-CE2 4.04Å; L69-F129 HydrophobicContact CB-CZ 3.74Å; L69-F129 HydrophobicContact CD1-CD2 4.02Å; L69-F129 HydrophobicContact CD1-CE2 4.19Å; L69-F129 HydrophobicContact CD1-CG 4.24Å; L69-F129 HydrophobicContact CD2-CD1 3.44Å; L69-F129 VanDerWaalsContact CD2-CD1 3.44Å; L69-F129 HydrophobicContact CD2-CD2 4.26Å; L69-F129 HydrophobicContact CD2-CE1 3.41Å; L69-F129 VanDerWaalsContact CD2-CE1 3.41Å; L69-F129 HydrophobicContact CD2-CE2 4.27Å; L69-F129 HydrophobicContact CD2-CG 3.86Å; L69-F129 HydrophobicContact CD2-CZ 3.85Å; L69-F129 HydrophobicContact CG-CD1 4.48Å; L69-F129 HydrophobicContact CG-CE1 4.28Å; L69-F129 HydrophobicContact CG-CE2 4.38Å; L69-F129 HydrophobicContact CG-CZ 4.23Å
70Q98.8Very high98.6Very high0 Ų061.7 Ų61.70%029%0.287CS..Hα-helixtrans-53-47.5-179.4-173.274.9-61.500110.8E14 I17 N18 L66 M67 S68 G74 G75 I77E14-Q70 PolarHBondContact O-NE2 2.94Å; I17-Q70 HydrophobicContact CG2-CB 4.01Å; I17-Q70 HydrophobicContact CG2-CG 4.42Å; N18-Q70 PolarHBondContact ND2-NE2 3.27Å; N18-Q70 PolarHBondContact OD1-NE2 3.42Å; L66-Q70 WeakPolarHBondContact O-CB 3.34Å; L66-Q70 PolarHBondContact O-N 3.3Å; M67-Q70 PolarHBondContact O-N 3.3Å; S68-Q70 PolarHBondContact O-N 2.84Å; Q70-G74 PolarHBondContact O-N 2.86Å; Q70-G75 WeakPolarHBondContact O-CA 3.4Å; Q70-G75 PolarHBondContact O-N 3.09Å; Q70-I77 HydrophobicContact CB-CG1 4.02Å; Q70-I77 HydrophobicContact CG-CG1 3.74Å
71N98.7Very high98.6Very high89 Ų8963.1 Ų63.148%0.47630%0.301SS..Hα-helixtrans-67.9-42.7177.4-73.4-29.4000112.4I5 M67 S68 L69 R73 G74I5-N71 WeakPolarHBondContact CD1-O 3.4Å; M67-N71 PolarHBondContact O-N 3.48Å; M67-N71 PolarHBondContact O-ND2 3.44Å; S68-N71 PolarHBondContact O-N 3.07Å; L69-N71 VanDerWaalsContact C-N 3.26Å; L69-N71 PolarHBondContact O-N 3.08Å; N71-R73 VanDerWaalsContact C-N 3.26Å; N71-R73 PolarHBondContact O-N 2.97Å; N71-G74 PolarHBondContact O-N 3.12Å
72K98.5Very high98.6Very high149 Ų14960.2 Ų60.265%0.64829%0.289SS*.Hα-helixtrans-58.8-35.1177.5-76.8174.4-178.3176.90112.8S68 L69 G74S68-K72 WeakPolarHBondContact O-CB 3.45Å; S68-K72 VanDerWaalsContact O-CG 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.35Å; S68-K72 PolarHBondContact O-N 3.26Å; L69-K72 WeakPolarHBondContact O-CB 3.19Å; L69-K72 PolarHBondContact O-N 3.18Å; L69-K72 VanDerWaalsContact O-N 3.08Å; K72-G74 VanDerWaalsContact C-N 3.29Å
73R98.4Very high98.6Very high25 Ų2566.5 Ų66.59%0.09432%0.316CS..THydrogen-bonded Turntrans-85.91.6178.4-60-59.5-59.2-74.4-3.6113.5Q7 N8 F9 L69 N71 G75 D123Q7-R73 PolarHBondContact O-NH2 2.87Å; Q7-R73 VanDerWaalsContact O-NH2 3.17Å; N8-R73 PolarHBondContact O-NH2 2.95Å; F9-R73 HydrophobicContact CB-CB 4.46Å; F9-R73 HydrophobicContact CD1-CB 3.75Å; F9-R73 HydrophobicContact CD2-CB 4.08Å; F9-R73 HydrophobicContact CD2-CG 4.46Å; F9-R73 HydrophobicContact CE1-CB 3.94Å; F9-R73 HydrophobicContact CE2-CB 4.26Å; F9-R73 HydrophobicContact CG-CB 3.84Å; F9-R73 HydrophobicContact CZ-CB 4.19Å; L69-R73 HydrophobicContact CD1-CG 3.77Å; L69-R73 HydrophobicContact CG-CG 4.27Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.45Å; N71-R73 VanDerWaalsContact C-N 3.26Å; N71-R73 PolarHBondContact O-N 2.97Å; R73-G75 VanDerWaalsContact C-N 3.31Å; R73-D123 IonicContact CZ-OD1 3.99Å; R73-D123 IonicContact CZ-OD2 3.73Å; R73-D123 VanDerWaalsContact CZ-OD2 3.29Å; R73-D123 IonicContact NH1-OD1 3.11Å; R73-D123 PolarHBondContact NH1-OD1 2.87Å; R73-D123 IonicContact NH1-OD2 3.78Å; R73-D123 PolarHBondContact NH1-OD2 2.98Å; R73-D123 IonicContact NH2-OD1 3.89Å; R73-D123 PolarHBondContact NH2-OD1 3.3Å; R73-D123 IonicContact NH2-OD2 3.18Å; R73-D123 PolarHBondContact NH2-OD2 3.21Å
74G98.4Very high98.6Very high1 Ų172.6 Ų72.61%0.0134%0.343CS..THydrogen-bonded Turntrans76.517.2-179.600000114.3S3 Q70 N71 K72 R76S3-G74 WeakPolarHBondContact CB-O 3.33Å; Q70-G74 PolarHBondContact O-N 2.86Å; N71-G74 PolarHBondContact O-N 3.12Å; K72-G74 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-NH1 3.49Å; G74-R76 VanDerWaalsContact O-NH1 3.09Å
75G98.4Very high98.6Very high0 Ų067.5 Ų67.50%032%0.32CS..  trans-73.2-179.6169.800000112.9E14 Q70 R73E14-G75 WeakPolarHBondContact OE1-CA 3.44Å; Q70-G75 WeakPolarHBondContact O-CA 3.4Å; Q70-G75 PolarHBondContact O-N 3.09Å; R73-G75 VanDerWaalsContact C-N 3.31Å
76R98.5Very high98.3Very high119 Ų11969.6 Ų69.645%0.44933%0.334SS..  trans-127.7130.4176.1-64.5-64.2178.5-85.20.5109.6E14 N18 G74 F78E14-R76 PolarHBondContact OE1-N 3.44Å; N18-R76 PolarHBondContact ND2-O 3.01Å; N18-R76 PolarHBondContact OD1-O 3.47Å; G74-R76 PolarHBondContact O-NH1 3.49Å; G74-R76 VanDerWaalsContact O-NH1 3.09Å; R76-F78 HydrophobicContact CB-CD2 4.31Å; R76-F78 HydrophobicContact CB-CE2 3.59Å; R76-F78 HydrophobicContact CB-CZ 3.85Å; R76-F78 WeakPolarHBondContact O-CD2 3.36Å
77I98.8Very high98.1Very high46 Ų4674.4 Ų74.424%0.23635%0.352CS..  trans-80.2124.4176.9-58.3165.7000108.5N18 M67 Q70 L79N18-I77 WeakPolarHBondContact OD1-CA 3.39Å; M67-I77 HydrophobicContact CB-CD1 3.71Å; M67-I77 HydrophobicContact CE-CD1 4.01Å; M67-I77 HydrophobicContact CE-CG2 4.25Å; M67-I77 HydrophobicContact CG-CD1 3.99Å; Q70-I77 HydrophobicContact CB-CG1 4.02Å; Q70-I77 HydrophobicContact CG-CG1 3.74Å; I77-L79 HydrophobicContact CG2-CD2 3.73Å; I77-L79 HydrophobicContact CG2-CG 3.94Å
78F98.4Very high98Very high127 Ų12777 Ų7756%0.55737%0.367SS*.  trans-12187173.3-64.5-76000109.2N18 R76 Q80N18-F78 PolarHBondContact OD1-N 3.15Å; R76-F78 HydrophobicContact CB-CD2 4.31Å; R76-F78 HydrophobicContact CB-CE2 3.59Å; R76-F78 HydrophobicContact CB-CZ 3.85Å; R76-F78 WeakPolarHBondContact O-CD2 3.36Å; F78-Q80 PolarHBondContact O-NE2 3.42Å
79L98.6Very high98Very high108 Ų10879.6 Ų79.657%0.56537%0.373SS*.  trans-61.9145.5179.6-62.7178.7000111.3I21 L25 M67 I77I21-L79 HydrophobicContact CG2-CD2 4.18Å; L25-L79 HydrophobicContact CD1-CD2 4.43Å; M67-L79 HydrophobicContact CE-CD2 4.22Å; I77-L79 HydrophobicContact CG2-CD2 3.73Å; I77-L79 HydrophobicContact CG2-CG 3.94Å
80Q98.5Very high97.9Very high128 Ų12879.6 Ų79.660%0.59837%0.373SS*.  trans-122.2167.8176.4-57.7-57-51.200109.6N22 F78 I82N22-Q80 PolarHBondContact ND2-O 2.87Å; F78-Q80 PolarHBondContact O-NE2 3.42Å; Q80-I82 PolarHBondContact O-N 3.18Å
81D98.7Very high97.8Very high123 Ų12380.8 Ų80.866%0.65839%0.385SS*.  trans-53.7132.7171.1-64.1-11.2000110.5N22 K83N22-D81 PolarHBondContact ND2-O 2.95Å; D81-K83 PolarHBondContact O-N 3.11Å
82I98.8Very high97.7Very high64 Ų6477.2 Ų77.233%0.32837%0.367SS..  trans-85113.5168.1-54.1167.5000105.9L25 Y29 Q80L25-I82 HydrophobicContact CB-CD1 3.82Å; L25-I82 HydrophobicContact CB-CG1 4.01Å; L25-I82 HydrophobicContact CD1-CD1 4.25Å; L25-I82 HydrophobicContact CD1-CG1 4.49Å; L25-I82 HydrophobicContact CD2-CD1 4.5Å; L25-I82 HydrophobicContact CG-CD1 4.43Å; Y29-I82 HydrophobicContact CD1-CG2 3.86Å; Y29-I82 HydrophobicContact CG-CG2 4.37Å; Q80-I82 PolarHBondContact O-N 3.18Å
83K98.4Very high97.6Very high138 Ų13870.1 Ų70.160%0.634%0.336SS*.PPolyproline II helixtrans-64144.7177.7-65.6-59.8-177.4-168.30109.6Y26 Y29 D81Y26-K83 HydrophobicContact CD2-CB 4.31Å; Y26-K83 VanDerWaalsContact CD2-O 3.29Å; Y26-K83 WeakPolarHBondContact CD2-O 3.42Å; Y26-K83 HydrophobicContact CE2-CB 4.35Å; Y29-K83 WeakPolarHBondContact CD1-O 3.44Å; D81-K83 PolarHBondContact O-N 3.11Å
84K98.3Very high97.6Very high128 Ų12869.4 Ų69.456%0.55733%0.334SS*.PPolyproline II helixtrans-63.6154.7169.671.9162.6-162.4155.70110.1Y29 D88Y29-K84 HydrophobicContact CE1-CB 4.37Å; K84-D88 IonicContact NZ-OD2 3.99Å
85P98.1Very high97.6Very high6 Ų673.5 Ų73.54%0.03935%0.353CS..PPolyproline II helixtrans-54.5156.3171.6-25.636.9000112.3V30 R87 W90V30-P85 HydrophobicContact CB-CG 4.49Å; V30-P85 HydrophobicContact CG2-CB 4.07Å; V30-P85 HydrophobicContact CG2-CG 4.04Å; P85-R87 PolarHBondContact O-N 3.33Å; P85-W90 HydrophobicContact CB-CH2 4.05Å; P85-W90 HydrophobicContact CB-CZ2 3.83Å
86D93.6Very high97.6Very high104 Ų10473.5 Ų73.556%0.55635%0.353SS*.SBendtrans-65.3-22.8-178.666.4-39.9000113.1
87R94.9Very high97.6Very high101 Ų10167.9 Ų67.938%0.38133%0.332SS..  trans-142.6155.717967.8-166.474.2-172.91.5112.2P85 E89 W90P85-R87 PolarHBondContact O-N 3.33Å; R87-E89 VanDerWaalsContact CD-O 3.28Å; R87-E89 WeakPolarHBondContact CD-O 3.45Å; R87-E89 WeakPolarHBondContact CG-O 3.38Å; R87-W90 HydrophobicContact CG-CD2 3.99Å; R87-W90 HydrophobicContact CG-CE3 3.71Å; R87-W90 HydrophobicContact CG-CH2 3.77Å; R87-W90 HydrophobicContact CG-CZ2 4.07Å; R87-W90 HydrophobicContact CG-CZ3 3.58Å
88D96.4Very high97.6Very high104 Ų10468.6 Ų68.656%0.55633%0.334SS*.SBendtrans-101.9-20.3176.2-55.7-59.9000111.7K84K84-D88 IonicContact NZ-OD2 3.99Å
89E97.9Very high97.6Very high108 Ų10863.9 Ų63.951%0.50532%0.317SS..  trans-112.2127.5175.8-65-74.114300109.7Y37 R40 R87Y37-E89 HydrophobicContact CE2-CB 4.39Å; Y37-E89 WeakPolarHBondContact CE2-OE2 3.26Å; R40-E89 IonicContact CZ-OE1 3.18Å; R40-E89 VanDerWaalsContact NH1-CD 3.33Å; R40-E89 IonicContact NH1-OE1 2.74Å; R40-E89 PolarHBondContact NH1-OE1 3.49Å; R40-E89 IonicContact NH1-OE2 3.15Å; R40-E89 PolarHBondContact NH1-OE2 3.36Å; R40-E89 IonicContact NH2-OE1 2.86Å; R40-E89 IonicContact NH2-OE2 3.29Å; R87-E89 VanDerWaalsContact CD-O 3.28Å; R87-E89 WeakPolarHBondContact CD-O 3.45Å; R87-E89 WeakPolarHBondContact CG-O 3.38Å
90W97.8Very high97.6Very high3 Ų358.8 Ų58.81%0.01129%0.29CS..  trans-103.23.2-175.3-59.994.9000114.4V30 S33 M34 Y37 P85 R87 S92 A96 C99V30-W90 HydrophobicContact CG1-CH2 3.71Å; V30-W90 HydrophobicContact CG1-CZ2 4.2Å; V30-W90 HydrophobicContact CG1-CZ3 4.45Å; S33-W90 PolarHBondContact OG-NE1 3.12Å; M34-W90 HydrophobicContact CE-CD2 4.16Å; M34-W90 HydrophobicContact CE-CE3 3.49Å; M34-W90 VanDerWaalsContact CE-CE3 3.49Å; M34-W90 HydrophobicContact CE-CH2 3.79Å; M34-W90 HydrophobicContact CE-CZ2 4.38Å; M34-W90 HydrophobicContact CE-CZ3 3.3Å; M34-W90 HydrophobicContact CG-CD2 3.57Å; M34-W90 HydrophobicContact CG-CE3 3.92Å; M34-W90 HydrophobicContact CG-CG 4Å; M34-W90 HydrophobicContact CG-CH2 4.33Å; M34-W90 HydrophobicContact CG-CZ2 3.97Å; M34-W90 HydrophobicContact CG-CZ3 4.3Å; Y37-W90 HydrophobicContact CD1-CB 3.69Å; Y37-W90 HydrophobicContact CD1-CG 4.28Å; Y37-W90 HydrophobicContact CE1-CB 3.77Å; Y37-W90 HydrophobicContact CG-CB 4.08Å; Y37-W90 AromaticContact CG-CD1 3.6Å; Y37-W90 HydrophobicContact CG-CG 4.24Å; P85-W90 HydrophobicContact CB-CH2 4.05Å; P85-W90 HydrophobicContact CB-CZ2 3.83Å; R87-W90 HydrophobicContact CG-CD2 3.99Å; R87-W90 HydrophobicContact CG-CE3 3.71Å; R87-W90 HydrophobicContact CG-CH2 3.77Å; R87-W90 HydrophobicContact CG-CZ2 4.07Å; R87-W90 HydrophobicContact CG-CZ3 3.58Å; W90-S92 PolarHBondContact O-N 2.89Å; W90-A96 HydrophobicContact CB-CB 4.22Å; W90-C99 HydrophobicContact CE3-CB 4.33Å; W90-C99 HydrophobicContact CZ3-CB 4.1Å
91G96.1Very high97.6Very high25 Ų2553.6 Ų53.626%0.25827%0.266SS..  trans70.4-108.4177.200000113.2Y37 K43 E95Y37-G91 VanDerWaalsContact OH-C 3.27Å; Y37-G91 VanDerWaalsContact OH-CA 3.24Å; Y37-G91 WeakPolarHBondContact OH-CA 3.49Å; Y37-G91 PolarHBondContact OH-N 3.19Å; Y37-G91 PolarHBondContact OH-O 3.02Å; K43-G91 PolarHBondContact NZ-O 3.3Å; G91-E95 WeakPolarHBondContact CA-OE2 3.37Å
92S96.9Very high97.6Very high14 Ų1453 Ų5310%0.09826%0.26CS..SBendtrans-112.3168.7-177.9100.80000112.2W90 L94 E95 A96 E164W90-S92 PolarHBondContact O-N 2.89Å; S92-L94 PolarHBondContact O-N 2.85Å; S92-L94 PolarHBondContact OG-N 3.08Å; S92-E95 PolarHBondContact O-N 3.29Å; S92-E95 PolarHBondContact OG-N 3.12Å; S92-A96 WeakPolarHBondContact O-CB 3.45Å; S92-A96 PolarHBondContact O-N 2.71Å; S92-E164 WeakPolarHBondContact CB-OE1 3.45Å; S92-E164 PolarHBondContact OG-OE1 3.48Å
93G96.6Very high97.5Very high0 Ų050.8 Ų50.80%025%0.248CC..Hα-helixtrans-55.4-40.8173.300000112.8L97 E164G93-L97 WeakPolarHBondContact O-CG 3.37Å; G93-L97 PolarHBondContact O-N 2.87Å; G93-L97 VanDerWaalsContact O-N 3.08Å; G93-E164 VanDerWaalsContact N-CD 3.27Å; G93-E164 PolarHBondContact N-OE1 3.29Å; G93-E164 PolarHBondContact N-OE2 2.99Å
94L97.8Very high97.6Very high10 Ų1044.2 Ų44.25%0.05222%0.22CC..Hα-helixtrans-61.9-48.9174.6177.961000112.4S92 A96 L97 E98 I149 L152 R153 A157 E164S92-L94 PolarHBondContact O-N 2.85Å; S92-L94 PolarHBondContact OG-N 3.08Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 3.22Å; L94-L97 PolarHBondContact O-N 3.38Å; L94-E98 HydrophobicContact CD1-CG 4.32Å; L94-E98 WeakPolarHBondContact O-CG 3.28Å; L94-E98 PolarHBondContact O-N 2.69Å; L94-I149 HydrophobicContact CD1-CB 4.31Å; L94-I149 HydrophobicContact CD1-CG1 4.36Å; L94-I149 HydrophobicContact CD1-CG2 3.92Å; L94-L152 HydrophobicContact CB-CD1 4.36Å; L94-L152 HydrophobicContact CD1-CB 4.05Å; L94-L152 HydrophobicContact CD1-CD1 4.49Å; L94-R153 HydrophobicContact CD1-CG 4Å; L94-R153 HydrophobicContact CD2-CG 3.9Å; L94-A157 HydrophobicContact CB-CB 4.33Å; L94-A157 HydrophobicContact CD2-CB 4.39Å; L94-A157 WeakPolarHBondContact CD2-O 3.42Å; L94-E164 PolarHBondContact N-OE1 3.46Å; L94-E164 VanDerWaalsContact N-OE1 3.13Å
95E98.1Very high97.6Very high88 Ų8842.6 Ų42.641%0.41121%0.213SC..Hα-helixtrans-64.2-39.1-178.7-67.5-178.417800111.8G91 S92 E98 C99G91-E95 WeakPolarHBondContact CA-OE2 3.37Å; S92-E95 PolarHBondContact O-N 3.29Å; S92-E95 PolarHBondContact OG-N 3.12Å; E95-E98 PolarHBondContact O-N 3.46Å; E95-C99 PolarHBondContact O-N 3.29Å; E95-C99 PolarHBondContact O-SG 3.25Å
96A98.1Very high97.6Very high0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-63.9-44.317600000112.2F38 F52 W90 S92 L94 E98 C99 A100F38-A96 HydrophobicContact CE2-CB 3.5Å; F38-A96 HydrophobicContact CZ-CB 3.56Å; F52-A96 HydrophobicContact CE2-CB 4.12Å; F52-A96 HydrophobicContact CZ-CB 3.96Å; W90-A96 HydrophobicContact CB-CB 4.22Å; S92-A96 WeakPolarHBondContact O-CB 3.45Å; S92-A96 PolarHBondContact O-N 2.71Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 3.22Å; A96-E98 VanDerWaalsContact C-N 3.33Å; A96-E98 PolarHBondContact O-N 2.89Å; A96-C99 WeakPolarHBondContact O-CB 3.46Å; A96-C99 PolarHBondContact O-N 3.25Å; A96-A100 PolarHBondContact O-N 3.37Å
97L98.3Very high97.8Very high0 Ų040.7 Ų40.70%021%0.208CC..Hα-helixtrans-65.2-36.4175.9-72.6171000112.3F48 F51 F52 G93 L94 C99 A100 L101 L145 W148 I149 L152 M172F48-L97 HydrophobicContact CE1-CD1 3.84Å; F48-L97 HydrophobicContact CE1-CG 4.11Å; F48-L97 HydrophobicContact CZ-CD1 4.32Å; F51-L97 HydrophobicContact CE1-CD2 4.13Å; F52-L97 HydrophobicContact CE1-CD2 4.24Å; F52-L97 HydrophobicContact CZ-CD2 3.97Å; F52-L97 HydrophobicContact CZ-CG 4.35Å; G93-L97 WeakPolarHBondContact O-CG 3.37Å; G93-L97 PolarHBondContact O-N 2.87Å; G93-L97 VanDerWaalsContact O-N 3.08Å; L94-L97 PolarHBondContact O-N 3.38Å; L97-C99 VanDerWaalsContact C-N 3.34Å; L97-A100 PolarHBondContact O-N 3.24Å; L97-L101 WeakPolarHBondContact O-CB 3.47Å; L97-L101 PolarHBondContact O-N 2.97Å; L97-L145 HydrophobicContact CD2-CD2 3.6Å; L97-W148 HydrophobicContact CD1-CB 4.15Å; L97-W148 HydrophobicContact CD2-CE3 3.99Å; L97-I149 HydrophobicContact CB-CD1 4.34Å; L97-I149 HydrophobicContact CB-CG1 3.82Å; L97-L152 HydrophobicContact CD1-CD1 3.51Å; L97-M172 HydrophobicContact CD1-CE 4.1Å; L97-M172 HydrophobicContact CD2-CE 4.1Å; L97-M172 HydrophobicContact CG-CE 4.5Å
98E98.6Very high98Very high61 Ų6137.1 Ų37.129%0.28520%0.196SC..Hα-helixtrans-64.1-39.8173.6-73.5178.3174.500111.8L94 E95 A96 L101 Q102 I149 R153L94-E98 HydrophobicContact CD1-CG 4.32Å; L94-E98 WeakPolarHBondContact O-CG 3.28Å; L94-E98 PolarHBondContact O-N 2.69Å; E95-E98 PolarHBondContact O-N 3.46Å; A96-E98 VanDerWaalsContact C-N 3.33Å; A96-E98 PolarHBondContact O-N 2.89Å; E98-L101 PolarHBondContact O-N 3Å; E98-Q102 WeakPolarHBondContact O-CG 3.48Å; E98-Q102 PolarHBondContact O-N 3.45Å; E98-I149 HydrophobicContact CG-CD1 3.97Å; E98-I149 HydrophobicContact CG-CG1 4.13Å; E98-I149 HydrophobicContact CG-CG2 4.18Å; E98-R153 IonicContact OE1-CZ 3.29Å; E98-R153 VanDerWaalsContact OE1-CZ 3.29Å; E98-R153 IonicContact OE1-NE 3.17Å; E98-R153 PolarHBondContact OE1-NE 3.37Å; E98-R153 IonicContact OE1-NH2 2.65Å; E98-R153 PolarHBondContact OE1-NH2 3.02Å
99C98.4Very high98.1Very high29 Ų2937 Ų3720%0.19619%0.192CC..Hα-helixtrans-64.4-45.7173.2-66.10000111.5M34 W90 E95 A96 L97 L101 Q102 L103M34-C99 HydrophobicContact CE-CB 3.71Å; W90-C99 HydrophobicContact CE3-CB 4.33Å; W90-C99 HydrophobicContact CZ3-CB 4.1Å; E95-C99 PolarHBondContact O-N 3.29Å; E95-C99 PolarHBondContact O-SG 3.25Å; A96-C99 WeakPolarHBondContact O-CB 3.46Å; A96-C99 PolarHBondContact O-N 3.25Å; L97-C99 VanDerWaalsContact C-N 3.34Å; C99-L101 VanDerWaalsContact C-N 3.34Å; C99-L101 PolarHBondContact O-N 3.05Å; C99-Q102 PolarHBondContact O-N 3.05Å; C99-L103 PolarHBondContact O-N 2.93Å
100A98.5Very high98.1Very high0 Ų033.5 Ų33.50%018%0.18CC..Hα-helixtrans-57.5-45.117500000111.6Y31 M34 F52 A96 L97 Q102 L103 E104 L145Y31-A100 HydrophobicContact CE1-CB 3.74Å; M34-A100 HydrophobicContact CE-CB 4.5Å; M34-A100 HydrophobicContact SD-CB 4.45Å; F52-A100 HydrophobicContact CE1-CB 4.19Å; A96-A100 PolarHBondContact O-N 3.37Å; L97-A100 PolarHBondContact O-N 3.24Å; A100-Q102 VanDerWaalsContact C-N 3.28Å; A100-Q102 PolarHBondContact O-N 2.71Å; A100-L103 WeakPolarHBondContact O-CB 3.18Å; A100-L103 PolarHBondContact O-N 3.18Å; A100-L103 VanDerWaalsContact O-N 3.12Å; A100-E104 WeakPolarHBondContact O-CG 3.42Å; A100-E104 PolarHBondContact O-N 3.26Å; A100-L145 HydrophobicContact CB-CD1 4.14Å; A100-L145 HydrophobicContact CB-CD2 4.21Å
101L98.7Very high98.2Very high19 Ų1933.4 Ų33.410%0.09918%0.179CC..Hα-helixtrans-59.8-37.4177.6178.563.5000112.6L97 E98 C99 K105 I142 L145 A146 I149L97-L101 WeakPolarHBondContact O-CB 3.47Å; L97-L101 PolarHBondContact O-N 2.97Å; E98-L101 PolarHBondContact O-N 3Å; C99-L101 VanDerWaalsContact C-N 3.34Å; C99-L101 PolarHBondContact O-N 3.05Å; L101-K105 HydrophobicContact CG-CD 4.48Å; L101-K105 VanDerWaalsContact O-CG 3.3Å; L101-K105 WeakPolarHBondContact O-CG 3.45Å; L101-K105 PolarHBondContact O-N 2.99Å; L101-K105 VanDerWaalsContact O-N 3.15Å; L101-I142 HydrophobicContact CD1-CB 4.39Å; L101-I142 HydrophobicContact CD1-CG2 3.86Å; L101-L145 HydrophobicContact CB-CB 4.31Å; L101-L145 HydrophobicContact CB-CD1 4.49Å; L101-L145 HydrophobicContact CD1-CB 4.13Å; L101-A146 HydrophobicContact CD2-CB 4.46Å; L101-I149 HydrophobicContact CB-CD1 3.87Å; L101-I149 HydrophobicContact CD2-CD1 3.59Å; L101-I149 HydrophobicContact CG-CD1 4.33Å
102Q98.6Very high98.3Very high112 Ų11235.7 Ų35.752%0.52319%0.185SC..Hα-helixtrans-73.3-36.5176.3-64.3-56.2-30.400112.3E98 C99 A100 K105 S106E98-Q102 WeakPolarHBondContact O-CG 3.48Å; E98-Q102 PolarHBondContact O-N 3.45Å; C99-Q102 PolarHBondContact O-N 3.05Å; A100-Q102 VanDerWaalsContact C-N 3.28Å; A100-Q102 PolarHBondContact O-N 2.71Å; Q102-K105 PolarHBondContact O-N 3.21Å; Q102-S106 WeakPolarHBondContact O-CB 3.47Å; Q102-S106 PolarHBondContact O-N 2.94Å; Q102-S106 PolarHBondContact O-OG 3.36Å
103L98.4Very high98.4Very high17 Ų1739 Ų399%0.08920%0.202CC..Hα-helixtrans-59.2-52.6172.5176.464000110.3Y26 A27 V30 Y31 C99 A100 K105 S106 V107Y26-L103 HydrophobicContact CD1-CD1 4.26Å; Y26-L103 HydrophobicContact CE1-CD1 4.06Å; A27-L103 HydrophobicContact CB-CD1 4.19Å; A27-L103 HydrophobicContact CB-CD2 4.01Å; A27-L103 HydrophobicContact CB-CG 4.26Å; V30-L103 HydrophobicContact CB-CD2 3.96Å; V30-L103 HydrophobicContact CG1-CD2 3.81Å; Y31-L103 HydrophobicContact CD2-CD2 4.44Å; Y31-L103 HydrophobicContact CE2-CD2 4.08Å; C99-L103 PolarHBondContact O-N 2.93Å; A100-L103 WeakPolarHBondContact O-CB 3.18Å; A100-L103 PolarHBondContact O-N 3.18Å; A100-L103 VanDerWaalsContact O-N 3.12Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.48Å; L103-S106 WeakPolarHBondContact O-CA 3.32Å; L103-S106 WeakPolarHBondContact O-CB 3.45Å; L103-S106 PolarHBondContact O-N 2.91Å; L103-V107 HydrophobicContact CD1-CG2 4.31Å; L103-V107 WeakPolarHBondContact O-CG2 3.46Å; L103-V107 PolarHBondContact O-N 2.97Å
104E98.6Very high98.5Very high0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-58.7-39.4179-71.3-48.3135.700113.2Y31 A100 S106 N108 Q138 I142 L145Y31-E104 VanDerWaalsContact CE2-OE1 3.28Å; Y31-E104 WeakPolarHBondContact CE2-OE1 3.31Å; Y31-E104 VanDerWaalsContact CZ-OE1 3.32Å; Y31-E104 WeakPolarHBondContact OH-CG 3.16Å; Y31-E104 PolarHBondContact OH-OE1 3.23Å; A100-E104 WeakPolarHBondContact O-CG 3.42Å; A100-E104 PolarHBondContact O-N 3.26Å; E104-S106 VanDerWaalsContact C-N 3.31Å; E104-S106 PolarHBondContact O-N 3.48Å; E104-N108 WeakPolarHBondContact O-CB 3.34Å; E104-N108 PolarHBondContact O-N 3.2Å; E104-Q138 PolarHBondContact O-NE2 3.5Å; E104-Q138 VanDerWaalsContact O-NE2 3.12Å; E104-Q138 PolarHBondContact OE2-NE2 2.92Å; E104-I142 HydrophobicContact CB-CG1 3.76Å; E104-L145 HydrophobicContact CB-CD1 4.35Å; E104-L145 HydrophobicContact CG-CD1 3.53Å
105K98.6Very high98.5Very high93 Ų9341.1 Ų41.140%0.40421%0.212SC..Hα-helixtrans-65.7-35.9174.3-76.7176176.7-179.20112.4L101 Q102 L103 Q109 I142L101-K105 HydrophobicContact CG-CD 4.48Å; L101-K105 VanDerWaalsContact O-CG 3.3Å; L101-K105 WeakPolarHBondContact O-CG 3.45Å; L101-K105 PolarHBondContact O-N 2.99Å; L101-K105 VanDerWaalsContact O-N 3.15Å; Q102-K105 PolarHBondContact O-N 3.21Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.48Å; K105-Q109 WeakPolarHBondContact O-CB 2.98Å; K105-Q109 PolarHBondContact O-N 2.88Å; K105-I142 HydrophobicContact CG-CD1 4.04Å; K105-I142 HydrophobicContact CG-CG1 4.31Å; K105-I142 HydrophobicContact CG-CG2 4.49Å
106S98.5Very high98.5Very high70 Ų7042.6 Ų42.649%0.4922%0.217SC..Hα-helixtrans-71-42.8177.9-56.80000111.4Q102 L103 E104 Q109 S110Q102-S106 WeakPolarHBondContact O-CB 3.47Å; Q102-S106 PolarHBondContact O-N 2.94Å; Q102-S106 PolarHBondContact O-OG 3.36Å; L103-S106 WeakPolarHBondContact O-CA 3.32Å; L103-S106 WeakPolarHBondContact O-CB 3.45Å; L103-S106 PolarHBondContact O-N 2.91Å; E104-S106 VanDerWaalsContact C-N 3.31Å; E104-S106 PolarHBondContact O-N 3.48Å; S106-Q109 PolarHBondContact O-N 3.45Å; S106-S110 PolarHBondContact O-N 2.55Å; S106-S110 VanDerWaalsContact O-N 3.09Å
107V98.6Very high98.5Very high0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-59.7-49.3172.5173.90000110.2L23 E24 A27 L103 Q109 S110 L111L23-V107 HydrophobicContact CD2-CG2 4.37Å; L23-V107 HydrophobicContact CG-CG2 4.19Å; E24-V107 WeakPolarHBondContact OE2-CG1 3.25Å; A27-V107 HydrophobicContact CB-CG2 4.26Å; L103-V107 HydrophobicContact CD1-CG2 4.31Å; L103-V107 WeakPolarHBondContact O-CG2 3.46Å; L103-V107 PolarHBondContact O-N 2.97Å; V107-Q109 PolarHBondContact O-N 2.86Å; V107-S110 WeakPolarHBondContact O-CB 3.49Å; V107-S110 PolarHBondContact O-N 2.73Å; V107-S110 VanDerWaalsContact O-N 3.1Å; V107-L111 HydrophobicContact CG1-CD1 4.07Å; V107-L111 PolarHBondContact O-N 3.2Å
108N98.6Very high98.5Very high27 Ų2744.7 Ų44.714%0.14423%0.227CC..Hα-helixtrans-60.7-41.8178.2-172.146.4000112.7E104 S110 L111 L112 Q138 I142E104-N108 WeakPolarHBondContact O-CB 3.34Å; E104-N108 PolarHBondContact O-N 3.2Å; N108-S110 VanDerWaalsContact C-N 3.29Å; N108-S110 PolarHBondContact O-N 3.12Å; N108-L111 PolarHBondContact O-N 3.29Å; N108-L112 WeakPolarHBondContact O-CG 3.41Å; N108-L112 PolarHBondContact O-N 3.17Å; N108-Q138 HydrophobicContact CB-CB 3.99Å; N108-Q138 HydrophobicContact CB-CG 3.97Å; N108-Q138 WeakPolarHBondContact OD1-CB 3.17Å; N108-I142 HydrophobicContact CB-CD1 3.97Å
109Q98.8Very high98.5Very high101 Ų10144 Ų4447%0.47223%0.232SC..Hα-helixtrans-60.3-41.9175.1-17658.958.400111.4K105 S106 V107 L111 L112 D113K105-Q109 WeakPolarHBondContact O-CB 2.98Å; K105-Q109 PolarHBondContact O-N 2.88Å; S106-Q109 PolarHBondContact O-N 3.45Å; V107-Q109 PolarHBondContact O-N 2.86Å; Q109-L111 VanDerWaalsContact C-N 3.33Å; Q109-L111 PolarHBondContact O-N 3.45Å; Q109-L112 PolarHBondContact O-N 3.27Å; Q109-D113 PolarHBondContact NE2-OD1 3.19Å; Q109-D113 VanDerWaalsContact NE2-OD1 3.12Å; Q109-D113 VanDerWaalsContact O-CG 3.29Å; Q109-D113 PolarHBondContact O-N 3.37Å
110S98.6Very high98.5Very high35 Ų3548.3 Ų48.325%0.24525%0.249CC..Hα-helixtrans-63.4-37.5175.9-170.90000112.4Q20 L23 S106 V107 N108 D113 L114Q20-S110 VanDerWaalsContact OE1-CB 3.25Å; Q20-S110 PolarHBondContact OE1-OG 3.16Å; L23-S110 VanDerWaalsContact CD2-CB 3.48Å; S106-S110 PolarHBondContact O-N 2.55Å; S106-S110 VanDerWaalsContact O-N 3.09Å; V107-S110 WeakPolarHBondContact O-CB 3.49Å; V107-S110 PolarHBondContact O-N 2.73Å; V107-S110 VanDerWaalsContact O-N 3.1Å; N108-S110 VanDerWaalsContact C-N 3.29Å; N108-S110 PolarHBondContact O-N 3.12Å; S110-D113 PolarHBondContact O-N 3.45Å; S110-L114 WeakPolarHBondContact O-CB 3.32Å; S110-L114 PolarHBondContact O-N 3.35Å
111L98.6Very high98.4Very high0 Ų050.9 Ų50.90%026%0.261CS..Hα-helixtrans-67.5-39.1174.4-71.3163000112.7Q20 V107 N108 Q109 D113 L114 Q115 V130 F134 L135 Q138Q20-L111 HydrophobicContact CG-CD2 4.09Å; V107-L111 HydrophobicContact CG1-CD1 4.07Å; V107-L111 PolarHBondContact O-N 3.2Å; N108-L111 PolarHBondContact O-N 3.29Å; Q109-L111 VanDerWaalsContact C-N 3.33Å; Q109-L111 PolarHBondContact O-N 3.45Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-L114 HydrophobicContact CD2-CD2 4.43Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 2.72Å; L111-Q115 WeakPolarHBondContact O-CB 3.24Å; L111-Q115 PolarHBondContact O-N 3.4Å; L111-V130 HydrophobicContact CB-CG1 4.37Å; L111-V130 HydrophobicContact CD2-CG1 4.32Å; L111-F134 HydrophobicContact CD1-CB 3.8Å; L111-F134 HydrophobicContact CD1-CD1 4.3Å; L111-F134 HydrophobicContact CD1-CG 4.44Å; L111-F134 HydrophobicContact CD2-CB 3.93Å; L111-F134 HydrophobicContact CD2-CD1 3.96Å; L111-F134 HydrophobicContact CD2-CG 3.97Å; L111-F134 HydrophobicContact CG-CB 4.46Å; L111-L135 HydrophobicContact CB-CD2 3.86Å; L111-Q138 HydrophobicContact CD1-CG 3.53Å
112L98.6Very high98.4Very high73 Ų7356 Ų5638%0.38229%0.289SS..Hα-helixtrans-63.1-42173.6-68.1173.2000111.2N108 Q109 L114 Q115 K116 L135N108-L112 WeakPolarHBondContact O-CG 3.41Å; N108-L112 PolarHBondContact O-N 3.17Å; Q109-L112 PolarHBondContact O-N 3.27Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-Q115 PolarHBondContact O-N 2.83Å; L112-K116 WeakPolarHBondContact O-CB 3.45Å; L112-K116 PolarHBondContact O-N 3.41Å; L112-L135 HydrophobicContact CD2-CD1 4.33Å; L112-L135 HydrophobicContact CD2-CD2 3.99Å; L112-L135 HydrophobicContact CG-CD2 4.44Å
113D98.6Very high98.4Very high85 Ų8550.8 Ų50.846%0.45526%0.264SS..Hα-helixtrans-66.5-35.8175.8-66.2-23.1000111.6Q109 S110 L111 K116 M117Q109-D113 PolarHBondContact NE2-OD1 3.19Å; Q109-D113 VanDerWaalsContact NE2-OD1 3.12Å; Q109-D113 VanDerWaalsContact O-CG 3.29Å; Q109-D113 PolarHBondContact O-N 3.37Å; S110-D113 PolarHBondContact O-N 3.45Å; L111-D113 VanDerWaalsContact C-N 3.34Å; D113-K116 PolarHBondContact O-N 2.91Å; D113-M117 WeakPolarHBondContact O-CB 3.21Å; D113-M117 PolarHBondContact O-N 2.87Å
114L98.2Very high98.4Very high6 Ų654.5 Ų54.53%0.03129%0.289CS..Hα-helixtrans-64.6-45.8174.1-174.766.9000111.9A16 I17 Q20 S110 L111 L112 M117 A118 M126 V130A16-L114 HydrophobicContact CB-CD1 3.37Å; I17-L114 HydrophobicContact CG1-CD1 4.33Å; Q20-L114 HydrophobicContact CB-CD2 4.28Å; Q20-L114 HydrophobicContact CG-CD2 4.26Å; S110-L114 WeakPolarHBondContact O-CB 3.32Å; S110-L114 PolarHBondContact O-N 3.35Å; L111-L114 HydrophobicContact CD2-CD2 4.43Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 2.72Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L114-M117 PolarHBondContact O-N 3.29Å; L114-A118 PolarHBondContact O-N 2.9Å; L114-M126 HydrophobicContact CD1-CE 3.21Å; L114-M126 HydrophobicContact CD2-CE 4.12Å; L114-M126 HydrophobicContact CG-CE 3.51Å; L114-V130 HydrophobicContact CD2-CG2 3.96Å; L114-V130 HydrophobicContact CG-CG2 4.32Å
115Q97.9Very high98.4Very high48 Ų4859.1 Ų59.122%0.22431%0.311CS..Hα-helixtrans-62.5-44.7176.2-169.3-81-6.900110.6L111 L112 M117 A118 A119 V130 E131L111-Q115 WeakPolarHBondContact O-CB 3.24Å; L111-Q115 PolarHBondContact O-N 3.4Å; L112-Q115 PolarHBondContact O-N 2.83Å; Q115-M117 VanDerWaalsContact C-N 3.32Å; Q115-M117 PolarHBondContact O-N 2.87Å; Q115-A118 WeakPolarHBondContact O-CB 3.28Å; Q115-A118 PolarHBondContact O-N 3.45Å; Q115-A118 VanDerWaalsContact O-N 3.15Å; Q115-A119 PolarHBondContact O-N 3.23Å; Q115-V130 HydrophobicContact CB-CB 4.46Å; Q115-V130 HydrophobicContact CB-CG1 4.04Å; Q115-E131 HydrophobicContact CG-CG 4.45Å; Q115-E131 PolarHBondContact NE2-OE1 3.39Å
116K98.3Very high98.4Very high119 Ų11954.7 Ų54.752%0.51729%0.291SS..Hα-helixtrans-58.9-44.4176.5-175.3-174.2176.7-162.70111.5L112 D113 A118 A119 E120L112-K116 WeakPolarHBondContact O-CB 3.45Å; L112-K116 PolarHBondContact O-N 3.41Å; D113-K116 PolarHBondContact O-N 2.91Å; K116-A118 VanDerWaalsContact C-N 3.33Å; K116-A118 PolarHBondContact O-N 3.25Å; K116-A119 WeakPolarHBondContact O-CB 3.42Å; K116-A119 PolarHBondContact O-N 2.8Å; K116-E120 WeakPolarHBondContact CE-OE1 3.18Å; K116-E120 IonicContact NZ-OE1 2.94Å; K116-E120 WeakPolarHBondContact O-CG 3.49Å; K116-E120 PolarHBondContact O-N 3.39Å
117M98.2Very high98.4Very high44 Ų4452.1 Ų52.122%0.21727%0.273CS..Hα-helixtrans-61.9-40.9176.6-176.7172.4-63.800112.1D12 A16 D113 L114 Q115 A119 E120 H121D12-M117 HydrophobicContact CB-CG 4.42Å; D12-M117 HydrophobicContact CB-SD 3.67Å; D12-M117 VanDerWaalsContact O-SD 3.39Å; A16-M117 HydrophobicContact CB-CE 4.43Å; A16-M117 HydrophobicContact CB-SD 3.63Å; D113-M117 WeakPolarHBondContact O-CB 3.21Å; D113-M117 PolarHBondContact O-N 2.87Å; L114-M117 PolarHBondContact O-N 3.29Å; Q115-M117 VanDerWaalsContact C-N 3.32Å; Q115-M117 PolarHBondContact O-N 2.87Å; M117-A119 VanDerWaalsContact C-N 3.34Å; M117-E120 PolarHBondContact O-N 3.03Å; M117-H121 PolarHBondContact O-CD2 3.07Å; M117-H121 VanDerWaalsContact O-CD2 3.28Å; M117-H121 PolarHBondContact O-N 2.61Å; M117-H121 VanDerWaalsContact O-N 3.16Å
118A98.2Very high98.4Very high0 Ų056.5 Ų56.50%030%0.297CS..Hα-helixtrans-62-42173.800000111.9L114 Q115 K116 H121 N122 D123 M126L114-A118 PolarHBondContact O-N 2.9Å; Q115-A118 WeakPolarHBondContact O-CB 3.28Å; Q115-A118 PolarHBondContact O-N 3.45Å; Q115-A118 VanDerWaalsContact O-N 3.15Å; K116-A118 VanDerWaalsContact C-N 3.33Å; K116-A118 PolarHBondContact O-N 3.25Å; A118-H121 CarbonylContact O-C 3.52Å; A118-H121 PolarHBondContact O-N 3.23Å; A118-N122 PolarHBondContact O-N 3.28Å; A118-N122 VanDerWaalsContact O-N 3.12Å; A118-D123 HydrophobicContact CB-CB 4.41Å; A118-D123 PolarHBondContact O-N 2.94Å; A118-M126 HydrophobicContact CB-CB 3.82Å; A118-M126 HydrophobicContact CB-CE 4.42Å; A118-M126 HydrophobicContact CB-CG 3.7Å; A118-M126 HydrophobicContact CB-SD 3.96Å
119A98.2Very high98.4Very high46 Ų4656.2 Ų56.238%0.3829%0.294SS..Hα-helixtrans-65.5-43.9177.800000112.4Q115 K116 M117 H121 N122Q115-A119 PolarHBondContact O-N 3.23Å; K116-A119 WeakPolarHBondContact O-CB 3.42Å; K116-A119 PolarHBondContact O-N 2.8Å; M117-A119 VanDerWaalsContact C-N 3.34Å; A119-H121 PolarHBondContact O-N 3.46Å; A119-N122 PolarHBondContact O-N 2.95Å
120E98.4Very high98.4Very high119 Ų11951.4 Ų51.456%0.55627%0.272SS*.Hα-helixtrans-59.5-35.5176.2-74.4175.1174.600112.3K116 M117 N122K116-E120 WeakPolarHBondContact CE-OE1 3.18Å; K116-E120 IonicContact NZ-OE1 2.94Å; K116-E120 WeakPolarHBondContact O-CG 3.49Å; K116-E120 PolarHBondContact O-N 3.39Å; M117-E120 PolarHBondContact O-N 3.03Å; E120-N122 VanDerWaalsContact C-N 3.33Å
121H98.3Very high98.3Very high55 Ų5554 Ų5426%0.25528%0.28SS..THydrogen-bonded Turntrans-89.57.5176.3-73.5-62.9000114.1H10 D12 M117 A118 A119 D123H10-H121 HydrophobicContact CB-CB 4.04Å; H10-H121 AromaticContact CD2-CE1 3.8Å; H10-H121 AromaticContact CD2-ND1 3.66Å; H10-H121 AromaticContact CE1-CE1 3.36Å; H10-H121 PolarHBondContact CE1-CE1 2.92Å; H10-H121 AromaticContact CE1-ND1 3.99Å; H10-H121 AromaticContact CE1-NE2 3.78Å; H10-H121 AromaticContact CG-CE1 3.51Å; H10-H121 AromaticContact CG-CG 3.77Å; H10-H121 AromaticContact CG-ND1 3.43Å; H10-H121 AromaticContact CG-NE2 3.85Å; H10-H121 AromaticContact ND1-CD2 3.82Å; H10-H121 AromaticContact ND1-CE1 3.2Å; H10-H121 PolarHBondContact ND1-CE1 3.26Å; H10-H121 AromaticContact ND1-ND1 3.63Å; H10-H121 AromaticContact ND1-NE2 3.29Å; H10-H121 PolarHBondContact ND1-NE2 3.31Å; H10-H121 AromaticContact NE2-CE1 3.76Å; D12-H121 IonicContact OD2-CE1 3.06Å; D12-H121 IonicContact OD2-NE2 3.56Å; D12-H121 PolarHBondContact OD2-NE2 3.11Å; D12-H121 VanDerWaalsContact OD2-NE2 3.11Å; M117-H121 PolarHBondContact O-CD2 3.07Å; M117-H121 VanDerWaalsContact O-CD2 3.28Å; M117-H121 PolarHBondContact O-N 2.61Å; M117-H121 VanDerWaalsContact O-N 3.16Å; A118-H121 CarbonylContact O-C 3.52Å; A118-H121 PolarHBondContact O-N 3.23Å; A119-H121 PolarHBondContact O-N 3.46Å; H121-D123 VanDerWaalsContact C-N 3.33Å; H121-D123 PolarHBondContact O-N 2.9Å
122N98.3Very high98.2Very high126 Ų12657.9 Ų57.967%0.67430%0.304SS*.THydrogen-bonded Turntrans53.344.4-178.5-54.8-80.5000113.2N8 A118 A119 E120 P124N8-N122 PolarHBondContact ND2-O 3.48Å; A118-N122 PolarHBondContact O-N 3.28Å; A118-N122 VanDerWaalsContact O-N 3.12Å; A119-N122 PolarHBondContact O-N 2.95Å; E120-N122 VanDerWaalsContact C-N 3.33Å; N122-P124 VanDerWaalsContact C-CD 3.48Å; N122-P124 WeakPolarHBondContact O-CD 3.43Å
123D98.6Very high98.1Very high3 Ų357.8 Ų57.82%0.01630%0.301CS..  trans-100.583.3174-169.7-16.8000111.2N8 R73 A118 H121 H125 M126 C127N8-D123 VanDerWaalsContact O-OD2 3.08Å; R73-D123 IonicContact CZ-OD1 3.99Å; R73-D123 IonicContact CZ-OD2 3.73Å; R73-D123 VanDerWaalsContact CZ-OD2 3.29Å; R73-D123 IonicContact NH1-OD1 3.11Å; R73-D123 PolarHBondContact NH1-OD1 2.87Å; R73-D123 IonicContact NH1-OD2 3.78Å; R73-D123 PolarHBondContact NH1-OD2 2.98Å; R73-D123 IonicContact NH2-OD1 3.89Å; R73-D123 PolarHBondContact NH2-OD1 3.3Å; R73-D123 IonicContact NH2-OD2 3.18Å; R73-D123 PolarHBondContact NH2-OD2 3.21Å; A118-D123 HydrophobicContact CB-CB 4.41Å; A118-D123 PolarHBondContact O-N 2.94Å; H121-D123 VanDerWaalsContact C-N 3.33Å; H121-D123 PolarHBondContact O-N 2.9Å; D123-H125 VanDerWaalsContact C-N 3.28Å; D123-H125 PolarHBondContact O-N 3.23Å; D123-H125 PolarHBondContact OD1-N 2.96Å; D123-M126 HydrophobicContact CB-CB 4.09Å; D123-M126 VanDerWaalsContact CG-CB 3.46Å; D123-M126 PolarHBondContact O-N 3.01Å; D123-M126 PolarHBondContact OD1-N 2.88Å; D123-C127 PolarHBondContact O-N 3.18Å; D123-C127 VanDerWaalsContact O-N 3.12Å; D123-C127 PolarHBondContact O-SG 3.06Å; D123-C127 VanDerWaalsContact O-SG 3.42Å
124P98.4Very high98.1Very high94 Ų9453.8 Ų53.861%0.6128%0.28SS*.Hα-helixtrans-65.7-29.9-175.427-36.4000113N122 M126 C127 D128N122-P124 VanDerWaalsContact C-CD 3.48Å; N122-P124 WeakPolarHBondContact O-CD 3.43Å; P124-M126 VanDerWaalsContact C-N 3.35Å; P124-C127 PolarHBondContact O-N 3.33Å; P124-D128 WeakPolarHBondContact O-CB 3.1Å; P124-D128 PolarHBondContact O-N 3.34Å
125H98.6Very high98.1Very high97 Ų9755 Ų5545%0.44929%0.286SS..Hα-helixtrans-66.7-40.6177174.1-66.4000110.6D123 F129D123-H125 VanDerWaalsContact C-N 3.28Å; D123-H125 PolarHBondContact O-N 3.23Å; D123-H125 PolarHBondContact OD1-N 2.96Å; H125-F129 VanDerWaalsContact O-CB 3.29Å; H125-F129 WeakPolarHBondContact O-CB 3.4Å; H125-F129 PolarHBondContact O-N 2.95Å
126M98Very high98Very high0 Ų056.9 Ų56.90%030%0.298CS..Hα-helixtrans-70.6-37.2178.1-175.9170.5168.900111.9F9 C13 I17 L114 A118 D123 P124 F129 V130F9-M126 HydrophobicContact CE2-SD 4.12Å; C13-M126 HydrophobicContact CB-CE 4.11Å; C13-M126 HydrophobicContact CB-SD 3.65Å; I17-M126 HydrophobicContact CD1-CE 3.89Å; I17-M126 HydrophobicContact CD1-SD 4.12Å; I17-M126 HydrophobicContact CG1-CE 3.68Å; L114-M126 HydrophobicContact CD1-CE 3.21Å; L114-M126 HydrophobicContact CD2-CE 4.12Å; L114-M126 HydrophobicContact CG-CE 3.51Å; A118-M126 HydrophobicContact CB-CB 3.82Å; A118-M126 HydrophobicContact CB-CE 4.42Å; A118-M126 HydrophobicContact CB-CG 3.7Å; A118-M126 HydrophobicContact CB-SD 3.96Å; D123-M126 HydrophobicContact CB-CB 4.09Å; D123-M126 VanDerWaalsContact CG-CB 3.46Å; D123-M126 PolarHBondContact O-N 3.01Å; D123-M126 PolarHBondContact OD1-N 2.88Å; P124-M126 VanDerWaalsContact C-N 3.35Å; M126-F129 PolarHBondContact O-N 3.44Å; M126-V130 WeakPolarHBondContact O-CG2 3.4Å; M126-V130 PolarHBondContact O-N 2.67Å; M126-V130 VanDerWaalsContact O-N 3.1Å
127C98.4Very high97.8Very high16 Ų1654.1 Ų54.111%0.10829%0.287CS..Hα-helixtrans-57.7-54.3171.6-630000111.4D123 P124 F129 V130 E131D123-C127 PolarHBondContact O-N 3.18Å; D123-C127 VanDerWaalsContact O-N 3.12Å; D123-C127 PolarHBondContact O-SG 3.06Å; D123-C127 VanDerWaalsContact O-SG 3.42Å; P124-C127 PolarHBondContact O-N 3.33Å; C127-F129 VanDerWaalsContact C-N 3.3Å; C127-F129 PolarHBondContact O-N 3.17Å; C127-V130 PolarHBondContact O-N 3.36Å; C127-E131 WeakPolarHBondContact O-CB 3.37Å; C127-E131 WeakPolarHBondContact O-CG 3.34Å; C127-E131 PolarHBondContact O-N 3.1Å
128D98.6Very high97.8Very high93 Ų9352 Ų5250%0.49728%0.277SS..Hα-helixtrans-58.2-41179.7176.673000112.4P124 E131 T132P124-D128 WeakPolarHBondContact O-CB 3.1Å; P124-D128 PolarHBondContact O-N 3.34Å; D128-E131 PolarHBondContact O-N 2.96Å; D128-T132 WeakPolarHBondContact O-CB 3.34Å; D128-T132 PolarHBondContact O-N 3.08Å; D128-T132 PolarHBondContact O-OG1 3.13Å
129F98.5Very high97.8Very high20 Ų2056.2 Ų56.29%0.08830%0.302CS..Hα-helixtrans-61.5-46.5177.1176.8-86.3000112.3K65 L66 L69 H125 M126 C127 H133 F134K65-F129 HydrophobicContact CD-CZ 4.39Å; K65-F129 HydrophobicContact CG-CE2 4.45Å; K65-F129 HydrophobicContact CG-CZ 4.03Å; L66-F129 HydrophobicContact CD2-CE1 3.99Å; L69-F129 HydrophobicContact CB-CE1 4.17Å; L69-F129 HydrophobicContact CB-CE2 4.04Å; L69-F129 HydrophobicContact CB-CZ 3.74Å; L69-F129 HydrophobicContact CD1-CD2 4.02Å; L69-F129 HydrophobicContact CD1-CE2 4.19Å; L69-F129 HydrophobicContact CD1-CG 4.24Å; L69-F129 HydrophobicContact CD2-CD1 3.44Å; L69-F129 VanDerWaalsContact CD2-CD1 3.44Å; L69-F129 HydrophobicContact CD2-CD2 4.26Å; L69-F129 HydrophobicContact CD2-CE1 3.41Å; L69-F129 VanDerWaalsContact CD2-CE1 3.41Å; L69-F129 HydrophobicContact CD2-CE2 4.27Å; L69-F129 HydrophobicContact CD2-CG 3.86Å; L69-F129 HydrophobicContact CD2-CZ 3.85Å; L69-F129 HydrophobicContact CG-CD1 4.48Å; L69-F129 HydrophobicContact CG-CE1 4.28Å; L69-F129 HydrophobicContact CG-CE2 4.38Å; L69-F129 HydrophobicContact CG-CZ 4.23Å; H125-F129 VanDerWaalsContact O-CB 3.29Å; H125-F129 WeakPolarHBondContact O-CB 3.4Å; H125-F129 PolarHBondContact O-N 2.95Å; M126-F129 PolarHBondContact O-N 3.44Å; C127-F129 VanDerWaalsContact C-N 3.3Å; C127-F129 PolarHBondContact O-N 3.17Å; F129-H133 AromaticContact CD2-CD2 3.46Å; F129-H133 VanDerWaalsContact CD2-CD2 3.46Å; F129-H133 WeakPolarHBondContact CD2-CD2 3.49Å; F129-H133 AromaticContact CE2-CD2 3.67Å; F129-H133 WeakPolarHBondContact O-CB 3.25Å; F129-H133 PolarHBondContact O-CD2 2.65Å; F129-H133 PolarHBondContact O-N 3.17Å; F129-H133 VanDerWaalsContact O-N 3.09Å; F129-F134 HydrophobicContact CD1-CD2 4.44Å; F129-F134 HydrophobicContact CD1-CE2 4.03Å; F129-F134 HydrophobicContact CE1-CD2 4.12Å; F129-F134 AromaticContact CE1-CE2 3.29Å; F129-F134 HydrophobicContact CE1-CE2 3.29Å; F129-F134 HydrophobicContact CE1-CZ 4.07Å; F129-F134 AromaticContact CZ-CE2 3.77Å; F129-F134 HydrophobicContact CZ-CE2 3.77Å; F129-F134 HydrophobicContact CZ-CZ 4.37Å
130V98.3Very high97.7Very high1 Ų160.1 Ų60.11%0.00631%0.31CS..Hα-helixtrans-66.6-42.2179.5174.10000110.5L111 L114 Q115 M126 C127 F134 L135L111-V130 HydrophobicContact CB-CG1 4.37Å; L111-V130 HydrophobicContact CD2-CG1 4.32Å; L114-V130 HydrophobicContact CD2-CG2 3.96Å; L114-V130 HydrophobicContact CG-CG2 4.32Å; Q115-V130 HydrophobicContact CB-CB 4.46Å; Q115-V130 HydrophobicContact CB-CG1 4.04Å; M126-V130 WeakPolarHBondContact O-CG2 3.4Å; M126-V130 PolarHBondContact O-N 2.67Å; M126-V130 VanDerWaalsContact O-N 3.1Å; C127-V130 PolarHBondContact O-N 3.36Å; V130-F134 WeakPolarHBondContact O-CB 3.48Å; V130-F134 PolarHBondContact O-N 3.33Å; V130-F134 VanDerWaalsContact O-N 3.16Å; V130-L135 HydrophobicContact CG1-CD1 4.33Å; V130-L135 HydrophobicContact CG1-CD2 4.2Å; V130-L135 HydrophobicContact CG1-CG 3.99Å; V130-L135 PolarHBondContact O-N 3.33Å; V130-L135 VanDerWaalsContact O-N 3.11Å
131E96.9Very high97.6Very high89 Ų8955.1 Ų55.142%0.41629%0.288SS..Iπ-helixtrans-62.8-48.2177.9-73167.4-156.900112.1Q115 C127 D128 L135Q115-E131 HydrophobicContact CG-CG 4.45Å; Q115-E131 PolarHBondContact NE2-OE1 3.39Å; C127-E131 WeakPolarHBondContact O-CB 3.37Å; C127-E131 WeakPolarHBondContact O-CG 3.34Å; C127-E131 PolarHBondContact O-N 3.1Å; D128-E131 PolarHBondContact O-N 2.96Å; E131-L135 HydrophobicContact CG-CD1 3.93Å
132T97.3Very high97.6Very high81 Ų8153.9 Ų53.950%0.49728%0.284SS..Iπ-helixtrans-72.1-38.7-174.4-63.10000113D128D128-T132 WeakPolarHBondContact O-CB 3.34Å; D128-T132 PolarHBondContact O-N 3.08Å; D128-T132 PolarHBondContact O-OG1 3.13Å
133H97.1Very high97.6Very high72 Ų7253.2 Ų53.233%0.33328%0.275SS..Iπ-helixtrans-109-4.6-167-65.6-59.9000115.2K65 F129K65-H133 HydrophobicContact CD-CB 3.82Å; K65-H133 PolarHBondContact NZ-O 3.02Å; F129-H133 AromaticContact CD2-CD2 3.46Å; F129-H133 VanDerWaalsContact CD2-CD2 3.46Å; F129-H133 WeakPolarHBondContact CD2-CD2 3.49Å; F129-H133 AromaticContact CE2-CD2 3.67Å; F129-H133 WeakPolarHBondContact O-CB 3.25Å; F129-H133 PolarHBondContact O-CD2 2.65Å; F129-H133 PolarHBondContact O-N 3.17Å; F129-H133 VanDerWaalsContact O-N 3.09Å
134F98.1Very high97.6Very high1 Ų155.5 Ų55.50%0.00429%0.285CS..Iπ-helixtrans-139.5-50.6-174.2-63.7-97.4000112.8H62 K65 L66 L111 F129 V130 D136 E137 Q138H62-F134 HydrophobicContact CB-CE1 3.96Å; K65-F134 HydrophobicContact CB-CZ 4.28Å; K65-F134 HydrophobicContact CD-CE2 3.89Å; K65-F134 HydrophobicContact CD-CZ 3.84Å; K65-F134 HydrophobicContact CG-CZ 4.35Å; L66-F134 HydrophobicContact CD1-CE1 4.19Å; L66-F134 HydrophobicContact CD1-CZ 4.32Å; L66-F134 HydrophobicContact CD2-CE1 4.45Å; L66-F134 HydrophobicContact CD2-CE2 4.33Å; L66-F134 HydrophobicContact CD2-CZ 3.92Å; L66-F134 HydrophobicContact CG-CE1 4.1Å; L66-F134 HydrophobicContact CG-CZ 3.72Å; L111-F134 HydrophobicContact CD1-CB 3.8Å; L111-F134 HydrophobicContact CD1-CD1 4.3Å; L111-F134 HydrophobicContact CD1-CG 4.44Å; L111-F134 HydrophobicContact CD2-CB 3.93Å; L111-F134 HydrophobicContact CD2-CD1 3.96Å; L111-F134 HydrophobicContact CD2-CG 3.97Å; L111-F134 HydrophobicContact CG-CB 4.46Å; F129-F134 HydrophobicContact CD1-CD2 4.44Å; F129-F134 HydrophobicContact CD1-CE2 4.03Å; F129-F134 HydrophobicContact CE1-CD2 4.12Å; F129-F134 AromaticContact CE1-CE2 3.29Å; F129-F134 HydrophobicContact CE1-CE2 3.29Å; F129-F134 HydrophobicContact CE1-CZ 4.07Å; F129-F134 AromaticContact CZ-CE2 3.77Å; F129-F134 HydrophobicContact CZ-CE2 3.77Å; F129-F134 HydrophobicContact CZ-CZ 4.37Å; V130-F134 WeakPolarHBondContact O-CB 3.48Å; V130-F134 PolarHBondContact O-N 3.33Å; V130-F134 VanDerWaalsContact O-N 3.16Å; F134-D136 PolarHBondContact O-N 3.47Å; F134-E137 PolarHBondContact O-N 3.28Å; F134-Q138 WeakPolarHBondContact O-CG 3.47Å; F134-Q138 PolarHBondContact O-N 2.9Å
135L97.6Very high97.6Very high31 Ų3151 Ų5116%0.16226%0.256CS..Iπ-helixtrans-64.2-39.6-169.5-65.2-176.5000113.8L111 L112 V130 E131 V139L111-L135 HydrophobicContact CB-CD2 3.86Å; L112-L135 HydrophobicContact CD2-CD1 4.33Å; L112-L135 HydrophobicContact CD2-CD2 3.99Å; L112-L135 HydrophobicContact CG-CD2 4.44Å; V130-L135 HydrophobicContact CG1-CD1 4.33Å; V130-L135 HydrophobicContact CG1-CD2 4.2Å; V130-L135 HydrophobicContact CG1-CG 3.99Å; V130-L135 PolarHBondContact O-N 3.33Å; V130-L135 VanDerWaalsContact O-N 3.11Å; E131-L135 HydrophobicContact CG-CD1 3.93Å; L135-V139 WeakPolarHBondContact O-CG2 3.31Å; L135-V139 PolarHBondContact O-N 3.11Å
136D95Very high97.6Very high88 Ų8848 Ų4847%0.47125%0.247SC..Hα-helixtrans-69-38.5176-174.667.5000112F134 V139 K140F134-D136 PolarHBondContact O-N 3.47Å; D136-V139 PolarHBondContact O-N 3.12Å; D136-K140 WeakPolarHBondContact O-CG 3.4Å; D136-K140 PolarHBondContact O-N 2.8Å; D136-K140 VanDerWaalsContact O-N 3.12Å; D136-K140 WeakPolarHBondContact OD2-CE 3.49Å; D136-K140 IonicContact OD2-NZ 2.63Å; D136-K140 PolarHBondContact OD2-NZ 2.98Å
137E95.9Very high97.6Very high61 Ų6151.1 Ų51.129%0.28526%0.264SS..Hα-helixtrans-61.3-49.9174.9-69175.8-178.900110.2H62 K65 F134 V139 K140 S141H62-E137 IonicContact CD2-OE2 3.46Å; H62-E137 IonicContact CE1-OE2 3.81Å; H62-E137 IonicContact NE2-OE2 2.67Å; H62-E137 PolarHBondContact NE2-OE2 3.48Å; K65-E137 IonicContact NZ-OE1 3.83Å; K65-E137 IonicContact NZ-OE2 2.83Å; F134-E137 PolarHBondContact O-N 3.28Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 PolarHBondContact O-N 2.63Å; E137-K140 WeakPolarHBondContact O-CB 3.39Å; E137-K140 PolarHBondContact O-N 3.04Å; E137-K140 VanDerWaalsContact O-N 3.11Å; E137-S141 PolarHBondContact O-N 3.01Å; E137-S141 PolarHBondContact O-OG 3.27Å
138Q96.7Very high97.5Very high0 Ų050.9 Ų50.90%026%0.261CS..Hα-helixtrans-56.3-44176.4-72.3-49.7116.300112.9E104 N108 L111 F134 K140 S141 I142E104-Q138 PolarHBondContact O-NE2 3.5Å; E104-Q138 VanDerWaalsContact O-NE2 3.12Å; E104-Q138 PolarHBondContact OE2-NE2 2.92Å; N108-Q138 HydrophobicContact CB-CB 3.99Å; N108-Q138 HydrophobicContact CB-CG 3.97Å; N108-Q138 WeakPolarHBondContact OD1-CB 3.17Å; L111-Q138 HydrophobicContact CD1-CG 3.53Å; F134-Q138 WeakPolarHBondContact O-CG 3.47Å; F134-Q138 PolarHBondContact O-N 2.9Å; Q138-K140 VanDerWaalsContact C-N 3.31Å; Q138-K140 PolarHBondContact O-N 3.33Å; Q138-S141 PolarHBondContact O-N 3.05Å; Q138-I142 VanDerWaalsContact O-CB 3.32Å; Q138-I142 WeakPolarHBondContact O-CB 3.3Å; Q138-I142 WeakPolarHBondContact O-CD1 3.37Å; Q138-I142 WeakPolarHBondContact O-CG1 3.49Å; Q138-I142 PolarHBondContact O-N 3.19Å
139V97.9Very high97.5Very high88 Ų8846.8 Ų46.853%0.53324%0.239SC..Hα-helixtrans-63.9-39.7-179.71700000110.9L135 D136 E137 K143L135-V139 WeakPolarHBondContact O-CG2 3.31Å; L135-V139 PolarHBondContact O-N 3.11Å; D136-V139 PolarHBondContact O-N 3.12Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 PolarHBondContact O-N 2.63Å; V139-K143 VanDerWaalsContact O-CB 3.3Å; V139-K143 WeakPolarHBondContact O-CB 3.41Å; V139-K143 PolarHBondContact O-N 3.08Å
140K96.9Very high97.5Very high127 Ų12748.5 Ų48.555%0.55225%0.253SS*.Hα-helixtrans-65.4-48.2175.6-72.9167.8175.6165.30111.6D136 E137 Q138 I142 K143 Q144D136-K140 WeakPolarHBondContact O-CG 3.4Å; D136-K140 PolarHBondContact O-N 2.8Å; D136-K140 VanDerWaalsContact O-N 3.12Å; D136-K140 WeakPolarHBondContact OD2-CE 3.49Å; D136-K140 IonicContact OD2-NZ 2.63Å; D136-K140 PolarHBondContact OD2-NZ 2.98Å; E137-K140 WeakPolarHBondContact O-CB 3.39Å; E137-K140 PolarHBondContact O-N 3.04Å; E137-K140 VanDerWaalsContact O-N 3.11Å; Q138-K140 VanDerWaalsContact C-N 3.31Å; Q138-K140 PolarHBondContact O-N 3.33Å; K140-I142 PolarHBondContact O-N 2.82Å; K140-K143 WeakPolarHBondContact O-CB 3.11Å; K140-K143 PolarHBondContact O-N 3.35Å; K140-Q144 PolarHBondContact O-N 3.27Å
141S96.4Very high97.5Very high14 Ų1451 Ų5110%0.09827%0.267CS..Hα-helixtrans-61.4-46.4179.1-57.10000111.7E137 Q138 K143 Q144 L145E137-S141 PolarHBondContact O-N 3.01Å; E137-S141 PolarHBondContact O-OG 3.27Å; Q138-S141 PolarHBondContact O-N 3.05Å; S141-K143 VanDerWaalsContact C-N 3.3Å; S141-K143 PolarHBondContact O-N 3.24Å; S141-Q144 PolarHBondContact O-N 3.04Å; S141-L145 WeakPolarHBondContact O-CB 3.48Å; S141-L145 WeakPolarHBondContact O-CG 3.47Å; S141-L145 PolarHBondContact O-N 2.92Å
142I98.4Very high97.5Very high30 Ų3046.8 Ų46.815%0.15425%0.247CC..Hα-helixtrans-58.8-42.2175.7-70.9167.7000111.1L101 E104 K105 N108 Q138 K140 A146L101-I142 HydrophobicContact CD1-CB 4.39Å; L101-I142 HydrophobicContact CD1-CG2 3.86Å; E104-I142 HydrophobicContact CB-CG1 3.76Å; K105-I142 HydrophobicContact CG-CD1 4.04Å; K105-I142 HydrophobicContact CG-CG1 4.31Å; K105-I142 HydrophobicContact CG-CG2 4.49Å; N108-I142 HydrophobicContact CB-CD1 3.97Å; Q138-I142 VanDerWaalsContact O-CB 3.32Å; Q138-I142 WeakPolarHBondContact O-CB 3.3Å; Q138-I142 WeakPolarHBondContact O-CD1 3.37Å; Q138-I142 WeakPolarHBondContact O-CG1 3.49Å; Q138-I142 PolarHBondContact O-N 3.19Å; K140-I142 PolarHBondContact O-N 2.82Å; I142-A146 VanDerWaalsContact O-CB 3.31Å; I142-A146 WeakPolarHBondContact O-CB 3.46Å; I142-A146 PolarHBondContact O-N 3.11Å; I142-A146 VanDerWaalsContact O-N 3.1Å
143K98.4Very high97.5Very high112 Ų11250 Ų5049%0.48725%0.25SS..Hα-helixtrans-65.8-46.9178.9178.159.6169.473.40111.6V139 K140 S141 A146 D147V139-K143 VanDerWaalsContact O-CB 3.3Å; V139-K143 WeakPolarHBondContact O-CB 3.41Å; V139-K143 PolarHBondContact O-N 3.08Å; K140-K143 WeakPolarHBondContact O-CB 3.11Å; K140-K143 PolarHBondContact O-N 3.35Å; S141-K143 VanDerWaalsContact C-N 3.3Å; S141-K143 PolarHBondContact O-N 3.24Å; K143-A146 PolarHBondContact O-N 2.89Å; K143-D147 IonicContact NZ-OD1 2.68Å; K143-D147 PolarHBondContact NZ-OD1 3.42Å; K143-D147 IonicContact NZ-OD2 2.58Å; K143-D147 PolarHBondContact NZ-OD2 2.99Å; K143-D147 PolarHBondContact O-N 3.34Å
144Q97.4Very high97.5Very high50 Ų5055.7 Ų55.723%0.23427%0.269CS..Hα-helixtrans-60.4-49.8-180-172.2-1774000111.1K140 S141 A146 D147 W148K140-Q144 PolarHBondContact O-N 3.27Å; S141-Q144 PolarHBondContact O-N 3.04Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.36Å; Q144-D147 PolarHBondContact O-N 3.17Å; Q144-W148 HydrophobicContact CG-CD2 4.3Å; Q144-W148 HydrophobicContact CG-CH2 4.46Å; Q144-W148 HydrophobicContact CG-CZ2 3.89Å; Q144-W148 PolarHBondContact O-N 3.13Å
145L98.3Very high97.4Very high1 Ų158.8 Ų58.81%0.00528%0.284CS..Hα-helixtrans-58.5-43.4177.4-69.9172.2000111.9F51 L97 A100 L101 E104 S141 D147 W148 I149F51-L145 HydrophobicContact CE1-CD2 4.2Å; F51-L145 HydrophobicContact CZ-CD2 4.02Å; L97-L145 HydrophobicContact CD2-CD2 3.6Å; A100-L145 HydrophobicContact CB-CD1 4.14Å; A100-L145 HydrophobicContact CB-CD2 4.21Å; L101-L145 HydrophobicContact CB-CB 4.31Å; L101-L145 HydrophobicContact CB-CD1 4.49Å; L101-L145 HydrophobicContact CD1-CB 4.13Å; E104-L145 HydrophobicContact CB-CD1 4.35Å; E104-L145 HydrophobicContact CG-CD1 3.53Å; S141-L145 WeakPolarHBondContact O-CB 3.48Å; S141-L145 WeakPolarHBondContact O-CG 3.47Å; S141-L145 PolarHBondContact O-N 2.92Å; L145-D147 PolarHBondContact O-N 3.47Å; L145-W148 PolarHBondContact O-N 3.32Å; L145-I149 WeakPolarHBondContact O-CB 3.44Å; L145-I149 WeakPolarHBondContact O-CD1 3.4Å; L145-I149 VanDerWaalsContact O-CG1 3.25Å; L145-I149 WeakPolarHBondContact O-CG1 3.45Å; L145-I149 PolarHBondContact O-N 3.35Å
146A98.5Very high97.4Very high32 Ų3258.7 Ų58.726%0.26429%0.291SS..Hα-helixtrans-65.2-36.6178.700000113.2L101 I142 K143 Q144 S150L101-A146 HydrophobicContact CD2-CB 4.46Å; I142-A146 VanDerWaalsContact O-CB 3.31Å; I142-A146 WeakPolarHBondContact O-CB 3.46Å; I142-A146 PolarHBondContact O-N 3.11Å; I142-A146 VanDerWaalsContact O-N 3.1Å; K143-A146 PolarHBondContact O-N 2.89Å; Q144-A146 VanDerWaalsContact C-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.36Å; A146-S150 WeakPolarHBondContact O-CB 3.28Å; A146-S150 PolarHBondContact O-N 2.87Å; A146-S150 PolarHBondContact O-OG 3.19Å
147D98.2Very high97.4Very high66 Ų6654.8 Ų54.835%0.35327%0.271SS..Hα-helixtrans-64.8-44.3174.8-71.6-19.8000111.3K143 Q144 L145 S150 N151K143-D147 IonicContact NZ-OD1 2.68Å; K143-D147 PolarHBondContact NZ-OD1 3.42Å; K143-D147 IonicContact NZ-OD2 2.58Å; K143-D147 PolarHBondContact NZ-OD2 2.99Å; K143-D147 PolarHBondContact O-N 3.34Å; Q144-D147 PolarHBondContact O-N 3.17Å; L145-D147 PolarHBondContact O-N 3.47Å; D147-S150 WeakPolarHBondContact O-CB 3.33Å; D147-S150 PolarHBondContact O-N 3.49Å; D147-N151 PolarHBondContact O-N 3.01Å
148W97.9Very high97.2Very high12 Ų1254.4 Ų54.45%0.04527%0.274CS..Hα-helixtrans-64.5-45.6179.3-71.14.2000112.2F51 L97 Q144 L145 S150 N151 L152 F167 M172 E175F51-W148 AromaticContact CD1-CZ3 3.97Å; F51-W148 HydrophobicContact CD1-CZ3 3.97Å; F51-W148 AromaticContact CD2-CH2 3.64Å; F51-W148 HydrophobicContact CD2-CH2 3.64Å; F51-W148 AromaticContact CD2-CZ3 3.64Å; F51-W148 HydrophobicContact CD2-CZ3 3.64Å; F51-W148 AromaticContact CE1-CZ3 3.79Å; F51-W148 HydrophobicContact CE1-CZ3 3.79Å; F51-W148 AromaticContact CE2-CH2 3.57Å; F51-W148 HydrophobicContact CE2-CH2 3.57Å; F51-W148 AromaticContact CE2-CZ3 3.44Å; F51-W148 HydrophobicContact CE2-CZ3 3.44Å; F51-W148 VanDerWaalsContact CE2-CZ3 3.44Å; F51-W148 HydrophobicContact CG-CH2 4.25Å; F51-W148 AromaticContact CG-CZ3 3.9Å; F51-W148 HydrophobicContact CG-CZ3 3.9Å; F51-W148 HydrophobicContact CZ-CE3 4.4Å; F51-W148 HydrophobicContact CZ-CH2 4.14Å; F51-W148 AromaticContact CZ-CZ3 3.52Å; F51-W148 HydrophobicContact CZ-CZ3 3.52Å; L97-W148 HydrophobicContact CD1-CB 4.15Å; L97-W148 HydrophobicContact CD2-CE3 3.99Å; Q144-W148 HydrophobicContact CG-CD2 4.3Å; Q144-W148 HydrophobicContact CG-CH2 4.46Å; Q144-W148 HydrophobicContact CG-CZ2 3.89Å; Q144-W148 PolarHBondContact O-N 3.13Å; L145-W148 PolarHBondContact O-N 3.32Å; W148-S150 VanDerWaalsContact C-N 3.28Å; W148-S150 PolarHBondContact O-N 3.18Å; W148-N151 PolarHBondContact O-N 3.45Å; W148-L152 PolarHBondContact O-N 3.44Å; W148-F167 HydrophobicContact CB-CE1 4.3Å; W148-F167 HydrophobicContact CB-CE2 4.37Å; W148-F167 HydrophobicContact CB-CZ 3.56Å; W148-F167 AromaticContact CD1-CZ 3.86Å; W148-F167 HydrophobicContact CD2-CE1 4.27Å; W148-F167 AromaticContact CD2-CZ 3.94Å; W148-F167 HydrophobicContact CD2-CZ 3.94Å; W148-F167 HydrophobicContact CE3-CE1 4.44Å; W148-F167 HydrophobicContact CG-CE1 4.25Å; W148-F167 HydrophobicContact CG-CE2 4.47Å; W148-F167 AromaticContact CG-CZ 3.51Å; W148-F167 HydrophobicContact CG-CZ 3.51Å; W148-M172 HydrophobicContact CE3-CE 3.65Å; W148-M172 HydrophobicContact CH2-CG 4.33Å; W148-M172 HydrophobicContact CZ3-CE 3.58Å; W148-M172 HydrophobicContact CZ3-CG 4.26Å; W148-M172 HydrophobicContact CZ3-SD 4.46Å; W148-E175 HydrophobicContact CZ2-CB 4.43Å; W148-E175 HydrophobicContact CZ2-CG 4.05Å
149I98.4Very high97Very high6 Ų662.3 Ų62.33%0.03131%0.31CS..Hα-helixtrans-55.7-45.2171.9-71.4162.2000110.7L94 L97 E98 L101 L145 N151 L152 R153L94-I149 HydrophobicContact CD1-CB 4.31Å; L94-I149 HydrophobicContact CD1-CG1 4.36Å; L94-I149 HydrophobicContact CD1-CG2 3.92Å; L97-I149 HydrophobicContact CB-CD1 4.34Å; L97-I149 HydrophobicContact CB-CG1 3.82Å; E98-I149 HydrophobicContact CG-CD1 3.97Å; E98-I149 HydrophobicContact CG-CG1 4.13Å; E98-I149 HydrophobicContact CG-CG2 4.18Å; L101-I149 HydrophobicContact CB-CD1 3.87Å; L101-I149 HydrophobicContact CD2-CD1 3.59Å; L101-I149 HydrophobicContact CG-CD1 4.33Å; L145-I149 WeakPolarHBondContact O-CB 3.44Å; L145-I149 WeakPolarHBondContact O-CD1 3.4Å; L145-I149 VanDerWaalsContact O-CG1 3.25Å; L145-I149 WeakPolarHBondContact O-CG1 3.45Å; L145-I149 PolarHBondContact O-N 3.35Å; I149-N151 VanDerWaalsContact C-N 3.34Å; I149-N151 PolarHBondContact O-N 3.44Å; I149-L152 PolarHBondContact O-N 3.19Å; I149-R153 WeakPolarHBondContact O-CB 3.45Å; I149-R153 WeakPolarHBondContact O-CG 3.33Å; I149-R153 PolarHBondContact O-N 3.22Å
150S98.3Very high96.7Very high56 Ų5661.6 Ų61.639%0.39230%0.304SS..Hα-helixtrans-63.7-38.9179.9-61.80000112.3A146 D147 W148 R154A146-S150 WeakPolarHBondContact O-CB 3.28Å; A146-S150 PolarHBondContact O-N 2.87Å; A146-S150 PolarHBondContact O-OG 3.19Å; D147-S150 WeakPolarHBondContact O-CB 3.33Å; D147-S150 PolarHBondContact O-N 3.49Å; W148-S150 VanDerWaalsContact C-N 3.28Å; W148-S150 PolarHBondContact O-N 3.18Å; S150-R154 WeakPolarHBondContact O-CB 3.12Å; S150-R154 PolarHBondContact O-N 3.09Å; S150-R154 VanDerWaalsContact O-N 3.09Å
151N97.4Very high96.1Very high55 Ų5558.4 Ų58.429%0.29431%0.307SS..Hα-helixtrans-68.1-47.6176.5-75.9-25.4000111.9D147 W148 I149 R153 R154 M155 F167D147-N151 PolarHBondContact O-N 3.01Å; W148-N151 PolarHBondContact O-N 3.45Å; I149-N151 VanDerWaalsContact C-N 3.34Å; I149-N151 PolarHBondContact O-N 3.44Å; N151-R153 PolarHBondContact O-N 3.19Å; N151-R154 WeakPolarHBondContact O-CB 3.35Å; N151-R154 PolarHBondContact O-N 2.93Å; N151-R154 VanDerWaalsContact O-N 3.1Å; N151-R154 PolarHBondContact OD1-NH1 2.58Å; N151-M155 VanDerWaalsContact O-CG 3.26Å; N151-M155 WeakPolarHBondContact O-CG 3.3Å; N151-M155 PolarHBondContact O-N 2.68Å; N151-F167 HydrophobicContact CB-CD2 4.5Å; N151-F167 HydrophobicContact CB-CE2 3.97Å
152L97.1Very high96Very high0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-59.7-43.8177.6-79.6170.8000112.4F48 L94 L97 W148 I149 R154 M155 G156 A157 E164 F167F48-L152 HydrophobicContact CZ-CD1 4.24Å; L94-L152 HydrophobicContact CB-CD1 4.36Å; L94-L152 HydrophobicContact CD1-CB 4.05Å; L94-L152 HydrophobicContact CD1-CD1 4.49Å; L97-L152 HydrophobicContact CD1-CD1 3.51Å; W148-L152 PolarHBondContact O-N 3.44Å; I149-L152 PolarHBondContact O-N 3.19Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.36Å; L152-M155 PolarHBondContact O-N 3.05Å; L152-G156 PolarHBondContact O-N 2.95Å; L152-G156 VanDerWaalsContact O-N 3.13Å; L152-A157 HydrophobicContact CB-CB 4.11Å; L152-A157 HydrophobicContact CD2-CB 4.18Å; L152-A157 WeakPolarHBondContact O-CB 3.45Å; L152-A157 PolarHBondContact O-N 3.13Å; L152-E164 HydrophobicContact CD2-CG 4.17Å; L152-F167 HydrophobicContact CD1-CD1 4.32Å; L152-F167 HydrophobicContact CD1-CE1 4.43Å; L152-F167 HydrophobicContact CD1-CG 4.46Å; L152-F167 HydrophobicContact CD2-CB 3.58Å; L152-F167 HydrophobicContact CD2-CD1 4.11Å; L152-F167 HydrophobicContact CD2-CD2 3.85Å; L152-F167 HydrophobicContact CD2-CG 3.55Å; L152-F167 HydrophobicContact CG-CB 4.46Å; L152-F167 HydrophobicContact CG-CD1 4.24Å; L152-F167 HydrophobicContact CG-CD2 3.85Å; L152-F167 HydrophobicContact CG-CE2 4.17Å; L152-F167 HydrophobicContact CG-CG 3.9Å
153R97.8Very high95.9Very high149 Ų14961.6 Ų61.656%0.56232%0.321SS*.Hα-helixtrans-60.4-42.2173.8-73.6174.9177.9-177.6-3111.8L94 E98 I149 N151 M155 G156L94-R153 HydrophobicContact CD1-CG 4Å; L94-R153 HydrophobicContact CD2-CG 3.9Å; E98-R153 IonicContact OE1-CZ 3.29Å; E98-R153 VanDerWaalsContact OE1-CZ 3.29Å; E98-R153 IonicContact OE1-NE 3.17Å; E98-R153 PolarHBondContact OE1-NE 3.37Å; E98-R153 IonicContact OE1-NH2 2.65Å; E98-R153 PolarHBondContact OE1-NH2 3.02Å; I149-R153 WeakPolarHBondContact O-CB 3.45Å; I149-R153 WeakPolarHBondContact O-CG 3.33Å; I149-R153 PolarHBondContact O-N 3.22Å; N151-R153 PolarHBondContact O-N 3.19Å; R153-M155 VanDerWaalsContact C-N 3.28Å; R153-M155 PolarHBondContact O-N 2.68Å; R153-G156 PolarHBondContact O-N 2.84Å; R153-G156 VanDerWaalsContact O-N 3.12Å
154R97Very high95.8Very high190 Ų19057.4 Ų57.472%0.71730%0.303SS*.Hα-helixtrans-64.9-32.6176.8-168.6-175.9-60.3129.84.6112.4S150 N151 L152 G156S150-R154 WeakPolarHBondContact O-CB 3.12Å; S150-R154 PolarHBondContact O-N 3.09Å; S150-R154 VanDerWaalsContact O-N 3.09Å; N151-R154 WeakPolarHBondContact O-CB 3.35Å; N151-R154 PolarHBondContact O-N 2.93Å; N151-R154 VanDerWaalsContact O-N 3.1Å; N151-R154 PolarHBondContact OD1-NH1 2.58Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.36Å; R154-G156 VanDerWaalsContact C-N 3.25Å; R154-G156 PolarHBondContact O-N 3.35Å
155M96.8Very high95.7Very high66 Ų6660.8 Ų60.833%0.32531%0.314SS..Hα-helixtrans-78.3-8.7176-65.5167.773.100113.2N151 L152 R153 N160 A163 L166 F167N151-M155 VanDerWaalsContact O-CG 3.26Å; N151-M155 WeakPolarHBondContact O-CG 3.3Å; N151-M155 PolarHBondContact O-N 2.68Å; L152-M155 PolarHBondContact O-N 3.05Å; R153-M155 VanDerWaalsContact C-N 3.28Å; R153-M155 PolarHBondContact O-N 2.68Å; M155-N160 PolarHBondContact O-ND2 3.39Å; M155-A163 HydrophobicContact CB-CB 3.62Å; M155-A163 HydrophobicContact CE-CB 4.45Å; M155-A163 VanDerWaalsContact CE-O 3.27Å; M155-A163 WeakPolarHBondContact CE-O 3.42Å; M155-L166 HydrophobicContact CE-CB 3.89Å; M155-F167 HydrophobicContact CE-CB 4.42Å; M155-F167 HydrophobicContact SD-CD2 4.18Å
156G95.9Very high95.6Very high29 Ų2964 Ų6430%0.29933%0.331SS..THydrogen-bonded Turntrans88.222.3177.400000114.7L152 R153 R154 Q159 N160L152-G156 PolarHBondContact O-N 2.95Å; L152-G156 VanDerWaalsContact O-N 3.13Å; R153-G156 PolarHBondContact O-N 2.84Å; R153-G156 VanDerWaalsContact O-N 3.12Å; R154-G156 VanDerWaalsContact C-N 3.25Å; R154-G156 PolarHBondContact O-N 3.35Å; G156-Q159 PolarHBondContact O-N 3.41Å; G156-Q159 PolarHBondContact O-OE1 3.38Å; G156-N160 WeakPolarHBondContact O-CB 3.32Å; G156-N160 PolarHBondContact O-N 3.41Å
157A95.8Very high95.5Very high7 Ų762.5 Ų62.56%0.05832%0.319CS..THydrogen-bonded Turntrans-68.6148.2170.700000111.2L94 L152 A163 E164L94-A157 HydrophobicContact CB-CB 4.33Å; L94-A157 HydrophobicContact CD2-CB 4.39Å; L94-A157 WeakPolarHBondContact CD2-O 3.42Å; L152-A157 HydrophobicContact CB-CB 4.11Å; L152-A157 HydrophobicContact CD2-CB 4.18Å; L152-A157 WeakPolarHBondContact O-CB 3.45Å; L152-A157 PolarHBondContact O-N 3.13Å; A157-A163 HydrophobicContact CB-CB 4.07Å; A157-E164 HydrophobicContact CB-CG 4Å
158P91.3Very high95.4Very high53 Ų5359.3 Ų59.334%0.34430%0.302SS..THydrogen-bonded Turncis-86.9-3.9-1.235.2-36.6000114.4N160P158-N160 VanDerWaalsContact C-N 3.29Å; P158-N160 PolarHBondContact O-N 2.86Å
159Q93.4Very high95.3Very high165 Ų16562.2 Ų62.277%0.77132%0.315SS*.THydrogen-bonded Turntrans-68.2-30.1-173.5-61.678.917.700112.7G156G156-Q159 PolarHBondContact O-N 3.41Å; G156-Q159 PolarHBondContact O-OE1 3.38Å
160N91.9Very high95Very high74 Ų7467.6 Ų67.640%0.39634%0.339SS..  trans-9496.2174-178.210.1000110.4M155 G156 P158 M162 A163M155-N160 PolarHBondContact O-ND2 3.39Å; G156-N160 WeakPolarHBondContact O-CB 3.32Å; G156-N160 PolarHBondContact O-N 3.41Å; P158-N160 VanDerWaalsContact C-N 3.29Å; P158-N160 PolarHBondContact O-N 2.86Å; N160-M162 PolarHBondContact O-N 3.5Å; N160-M162 VanDerWaalsContact O-N 3.13Å; N160-M162 PolarHBondContact OD1-N 2.8Å; N160-A163 HydrophobicContact CB-CB 4.16Å; N160-A163 WeakPolarHBondContact O-CB 3.37Å; N160-A163 PolarHBondContact O-N 3.45Å
161G83.8Confident94.7Very high59 Ų5966.9 Ų66.961%0.60833%0.333SS*.Hα-helixtrans-58.7-26.4-179.800000114.5A163G161-A163 PolarHBondContact O-N 3.09Å
162M94.6Very high94.3Very high110 Ų11064.2 Ų64.254%0.54232%0.319SS..Hα-helixtrans-68.9-22.2174.3-67.6-60.6-61.900112.7N160 Y165 L166N160-M162 PolarHBondContact O-N 3.5Å; N160-M162 VanDerWaalsContact O-N 3.13Å; N160-M162 PolarHBondContact OD1-N 2.8Å; M162-Y165 HydrophobicContact CE-CD1 4.35Å; M162-L166 WeakPolarHBondContact O-CB 3.44Å; M162-L166 VanDerWaalsContact O-CG 3.27Å; M162-L166 WeakPolarHBondContact O-CG 3.39Å; M162-L166 PolarHBondContact O-N 3.46Å
163A96.4Very high93.4Very high1 Ų164.7 Ų64.71%0.00832%0.324CS..Hα-helixtrans-63.6-51.4-179.400000111.4M155 A157 N160 G161 L166 F167M155-A163 HydrophobicContact CB-CB 3.62Å; M155-A163 HydrophobicContact CE-CB 4.45Å; M155-A163 VanDerWaalsContact CE-O 3.27Å; M155-A163 WeakPolarHBondContact CE-O 3.42Å; A157-A163 HydrophobicContact CB-CB 4.07Å; N160-A163 HydrophobicContact CB-CB 4.16Å; N160-A163 WeakPolarHBondContact O-CB 3.37Å; N160-A163 PolarHBondContact O-N 3.45Å; G161-A163 PolarHBondContact O-N 3.09Å; A163-L166 PolarHBondContact O-N 3.4Å; A163-F167 VanDerWaalsContact O-CB 3.26Å; A163-F167 WeakPolarHBondContact O-CB 3.12Å; A163-F167 PolarHBondContact O-N 3.43Å
164E94.8Very high92.3Very high25 Ų2565 Ų6512%0.11733%0.331CS..Hα-helixtrans-68.1-37.2-178.8-61.8-166.9163.800111.5L45 S92 G93 L94 L152 A157 F167 D168L45-E164 HydrophobicContact CD1-CB 4.22Å; S92-E164 WeakPolarHBondContact CB-OE1 3.45Å; S92-E164 PolarHBondContact OG-OE1 3.48Å; G93-E164 VanDerWaalsContact N-CD 3.27Å; G93-E164 PolarHBondContact N-OE1 3.29Å; G93-E164 PolarHBondContact N-OE2 2.99Å; L94-E164 PolarHBondContact N-OE1 3.46Å; L94-E164 VanDerWaalsContact N-OE1 3.13Å; L152-E164 HydrophobicContact CD2-CG 4.17Å; A157-E164 HydrophobicContact CB-CG 4Å; E164-F167 PolarHBondContact O-N 2.68Å; E164-D168 VanDerWaalsContact O-CB 3.32Å; E164-D168 WeakPolarHBondContact O-CB 3.27Å; E164-D168 PolarHBondContact O-N 2.88Å
165Y95.9Very high90.9Very high120 Ų12061.4 Ų61.447%0.47132%0.323SS..Hα-helixtrans-62.5-48.9174.9178.2-95.8000112.6M162 F167 D168 K169M162-Y165 HydrophobicContact CE-CD1 4.35Å; Y165-F167 VanDerWaalsContact C-N 3.3Å; Y165-F167 PolarHBondContact O-N 3.1Å; Y165-D168 PolarHBondContact O-N 3.46Å; Y165-K169 HydrophobicContact CE1-CG 4.25Å; Y165-K169 HydrophobicContact CE2-CG 4.33Å; Y165-K169 WeakPolarHBondContact O-CG 3.27Å; Y165-K169 PolarHBondContact O-N 2.96Å; Y165-K169 VanDerWaalsContact O-N 3.13Å
166L96.5Very high89Confident68 Ų6860.6 Ų60.636%0.35632%0.321SS..Hα-helixtrans-65.2-37.3178.2-71172.5000111.4M155 M162 A163 K169 H170M155-L166 HydrophobicContact CE-CB 3.89Å; M162-L166 WeakPolarHBondContact O-CB 3.44Å; M162-L166 VanDerWaalsContact O-CG 3.27Å; M162-L166 WeakPolarHBondContact O-CG 3.39Å; M162-L166 PolarHBondContact O-N 3.46Å; A163-L166 PolarHBondContact O-N 3.4Å; L166-K169 PolarHBondContact O-N 3.15Å; L166-H170 WeakPolarHBondContact O-CB 3.26Å; L166-H170 PolarHBondContact O-CD2 2.98Å; L166-H170 VanDerWaalsContact O-CD2 3.31Å; L166-H170 PolarHBondContact O-N 3.31Å
167F96.6Very high86.7Confident1 Ų166.8 Ų66.80%0.00436%0.36CS..Hα-helixtrans-64.6-45.5176.7-168.5-87000112.1F48 W148 N151 L152 M155 A163 E164 Y165 K169 T171 M172F48-F167 AromaticContact CE2-CD1 3.87Å; F48-F167 HydrophobicContact CE2-CD1 3.87Å; F48-F167 AromaticContact CZ-CD1 3.75Å; F48-F167 HydrophobicContact CZ-CD1 3.75Å; F48-F167 HydrophobicContact CZ-CE1 4.24Å; W148-F167 HydrophobicContact CB-CE1 4.3Å; W148-F167 HydrophobicContact CB-CE2 4.37Å; W148-F167 HydrophobicContact CB-CZ 3.56Å; W148-F167 AromaticContact CD1-CZ 3.86Å; W148-F167 HydrophobicContact CD2-CE1 4.27Å; W148-F167 AromaticContact CD2-CZ 3.94Å; W148-F167 HydrophobicContact CD2-CZ 3.94Å; W148-F167 HydrophobicContact CE3-CE1 4.44Å; W148-F167 HydrophobicContact CG-CE1 4.25Å; W148-F167 HydrophobicContact CG-CE2 4.47Å; W148-F167 AromaticContact CG-CZ 3.51Å; W148-F167 HydrophobicContact CG-CZ 3.51Å; N151-F167 HydrophobicContact CB-CD2 4.5Å; N151-F167 HydrophobicContact CB-CE2 3.97Å; L152-F167 HydrophobicContact CD1-CD1 4.32Å; L152-F167 HydrophobicContact CD1-CE1 4.43Å; L152-F167 HydrophobicContact CD1-CG 4.46Å; L152-F167 HydrophobicContact CD2-CB 3.58Å; L152-F167 HydrophobicContact CD2-CD1 4.11Å; L152-F167 HydrophobicContact CD2-CD2 3.85Å; L152-F167 HydrophobicContact CD2-CG 3.55Å; L152-F167 HydrophobicContact CG-CB 4.46Å; L152-F167 HydrophobicContact CG-CD1 4.24Å; L152-F167 HydrophobicContact CG-CD2 3.85Å; L152-F167 HydrophobicContact CG-CE2 4.17Å; L152-F167 HydrophobicContact CG-CG 3.9Å; M155-F167 HydrophobicContact CE-CB 4.42Å; M155-F167 HydrophobicContact SD-CD2 4.18Å; A163-F167 VanDerWaalsContact O-CB 3.26Å; A163-F167 WeakPolarHBondContact O-CB 3.12Å; A163-F167 PolarHBondContact O-N 3.43Å; E164-F167 PolarHBondContact O-N 2.68Å; Y165-F167 VanDerWaalsContact C-N 3.3Å; Y165-F167 PolarHBondContact O-N 3.1Å; F167-K169 VanDerWaalsContact C-N 3.3Å; F167-K169 PolarHBondContact O-N 2.95Å; F167-T171 HydrophobicContact CD2-CG2 4.48Å; F167-T171 HydrophobicContact CE1-CG2 4.14Å; F167-T171 HydrophobicContact CE2-CG2 3.74Å; F167-T171 HydrophobicContact CZ-CG2 3.52Å; F167-T171 WeakPolarHBondContact O-CB 3.44Å; F167-T171 PolarHBondContact O-N 3.13Å; F167-M172 HydrophobicContact CD1-CE 4.31Å; F167-M172 HydrophobicContact CD1-CG 4.09Å; F167-M172 HydrophobicContact CE1-CE 3.75Å; F167-M172 HydrophobicContact CE1-CG 3.76Å; F167-M172 HydrophobicContact CE1-SD 4.42Å; F167-M172 PolarHBondContact O-N 3.5Å; F167-M172 VanDerWaalsContact O-N 3.15Å
168D96.3Very high86.3Confident0 Ų069.8 Ų69.80%038%0.375CS..Iπ-helixtrans-54.1-46.7174.2177.780.7000110.9L45 N47 F48 E164 Y165 G173L45-D168 HydrophobicContact CD2-CB 4.06Å; N47-D168 WeakPolarHBondContact CA-OD1 3.37Å; N47-D168 WeakPolarHBondContact CB-O 3.39Å; N47-D168 VanDerWaalsContact CB-OD1 3.3Å; N47-D168 WeakPolarHBondContact CB-OD1 3.48Å; N47-D168 PolarHBondContact N-OD1 3Å; N47-D168 PolarHBondContact ND2-O 2.99Å; F48-D168 HydrophobicContact CD2-CB 3.96Å; F48-D168 HydrophobicContact CE2-CB 4.1Å; F48-D168 PolarHBondContact N-OD1 3.28Å; F48-D168 VanDerWaalsContact N-OD1 3.11Å; E164-D168 VanDerWaalsContact O-CB 3.32Å; E164-D168 WeakPolarHBondContact O-CB 3.27Å; E164-D168 PolarHBondContact O-N 2.88Å; Y165-D168 PolarHBondContact O-N 3.46Å; D168-G173 PolarHBondContact O-N 2.91Å; D168-G173 VanDerWaalsContact O-N 3.09Å
169K94.8Very high86Confident73 Ų7370.6 Ų70.632%0.31738%0.377SS..Iπ-helixtrans-77.2-40.7-176.6-61.8-52.8175.8-142.20114.7Y165 L166 F167Y165-K169 HydrophobicContact CE1-CG 4.25Å; Y165-K169 HydrophobicContact CE2-CG 4.33Å; Y165-K169 WeakPolarHBondContact O-CG 3.27Å; Y165-K169 PolarHBondContact O-N 2.96Å; Y165-K169 VanDerWaalsContact O-N 3.13Å; L166-K169 PolarHBondContact O-N 3.15Å; F167-K169 VanDerWaalsContact C-N 3.3Å; F167-K169 PolarHBondContact O-N 2.95Å
170H93.3Very high85.6Confident118 Ų11865.4 Ų65.455%0.54636%0.355SS..Iπ-helixtrans-101.5-28-169.2-66.2-64.1000114.6L166 E174L166-H170 WeakPolarHBondContact O-CB 3.26Å; L166-H170 PolarHBondContact O-CD2 2.98Å; L166-H170 VanDerWaalsContact O-CD2 3.31Å; L166-H170 PolarHBondContact O-N 3.31Å; H170-E174 WeakPolarHBondContact O-CG 3.26Å
171T91.3Very high85.2Confident41 Ų4164.9 Ų64.925%0.25235%0.353SS..Iπ-helixtrans-99.2-56.4178.7-56.10000110.4F167 G173F167-T171 HydrophobicContact CD2-CG2 4.48Å; F167-T171 HydrophobicContact CE1-CG2 4.14Å; F167-T171 HydrophobicContact CE2-CG2 3.74Å; F167-T171 HydrophobicContact CZ-CG2 3.52Å; F167-T171 WeakPolarHBondContact O-CB 3.44Å; F167-T171 PolarHBondContact O-N 3.13Å; T171-G173 PolarHBondContact O-N 3.1Å
172M88.9Confident85.3Confident0 Ų065.3 Ų65.30%034%0.337CS..Iπ-helixtrans-72.9-29.9-179.4-66.1-163.417300112.9N47 F48 F51 L97 W148 F167 E174 E175 T176N47-M172 HydrophobicContact CB-CB 3.72Å; F48-M172 VanDerWaalsContact CA-SD 3.55Å; F48-M172 HydrophobicContact CB-SD 4.08Å; F48-M172 HydrophobicContact CD1-CE 3.39Å; F48-M172 HydrophobicContact CD1-SD 3.74Å; F48-M172 HydrophobicContact CD2-CE 4.06Å; F48-M172 HydrophobicContact CD2-SD 3.48Å; F48-M172 WeakPolarHBondContact CD2-SD 3.37Å; F48-M172 HydrophobicContact CE1-CE 3.24Å; F48-M172 HydrophobicContact CE1-SD 4.02Å; F48-M172 HydrophobicContact CE2-CE 3.93Å; F48-M172 HydrophobicContact CE2-SD 3.77Å; F48-M172 HydrophobicContact CG-CE 3.81Å; F48-M172 HydrophobicContact CG-SD 3.47Å; F48-M172 WeakPolarHBondContact CG-SD 3.49Å; F48-M172 HydrophobicContact CZ-CE 3.54Å; F48-M172 HydrophobicContact CZ-SD 4.03Å; F51-M172 HydrophobicContact CB-SD 4.17Å; F51-M172 HydrophobicContact CD1-CE 4.24Å; L97-M172 HydrophobicContact CD1-CE 4.1Å; L97-M172 HydrophobicContact CD2-CE 4.1Å; L97-M172 HydrophobicContact CG-CE 4.5Å; W148-M172 HydrophobicContact CE3-CE 3.65Å; W148-M172 HydrophobicContact CH2-CG 4.33Å; W148-M172 HydrophobicContact CZ3-CE 3.58Å; W148-M172 HydrophobicContact CZ3-CG 4.26Å; W148-M172 HydrophobicContact CZ3-SD 4.46Å; F167-M172 HydrophobicContact CD1-CE 4.31Å; F167-M172 HydrophobicContact CD1-CG 4.09Å; F167-M172 HydrophobicContact CE1-CE 3.75Å; F167-M172 HydrophobicContact CE1-CG 3.76Å; F167-M172 HydrophobicContact CE1-SD 4.42Å; F167-M172 PolarHBondContact O-N 3.5Å; F167-M172 VanDerWaalsContact O-N 3.15Å; M172-E174 VanDerWaalsContact C-N 3.34Å; M172-E174 PolarHBondContact O-N 3.12Å; M172-E175 PolarHBondContact O-N 3.42Å; M172-T176 WeakPolarHBondContact O-CB 3.49Å; M172-T176 WeakPolarHBondContact O-CG2 3.36Å; M172-T176 PolarHBondContact O-N 2.99Å; M172-T176 VanDerWaalsContact O-N 3.1Å; M172-T176 PolarHBondContact O-OG1 2.66Å
173G78.2Confident84.7Confident10 Ų1062.3 Ų62.310%0.10332%0.323CS..Hα-helixtrans-63.2-35.8176.900000113.8N47 D168 T171 S177N47-G173 WeakPolarHBondContact ND2-CA 3.49Å; D168-G173 PolarHBondContact O-N 2.91Å; D168-G173 VanDerWaalsContact O-N 3.09Å; T171-G173 PolarHBondContact O-N 3.1Å; G173-S177 WeakPolarHBondContact O-CB 3.49Å; G173-S177 PolarHBondContact O-N 3.31Å; G173-S177 PolarHBondContact O-OG 2.9Å
174E75.5Confident83.9Confident154 Ų15466.6 Ų66.672%0.7235%0.345SS*.Hα-helixtrans-75.3-33.3178.1-67.1-175.9172.500112.2H170 M172H170-E174 WeakPolarHBondContact O-CG 3.26Å; M172-E174 VanDerWaalsContact C-N 3.34Å; M172-E174 PolarHBondContact O-N 3.12Å
175E66.3Low83Confident115 Ų11569.8 Ų69.854%0.53736%0.363SS..Hα-helixtrans-80.5-19-179.2-69.4-91.9-168.200113.4W148 M172W148-E175 HydrophobicContact CZ2-CB 4.43Å; W148-E175 HydrophobicContact CZ2-CG 4.05Å; M172-E175 PolarHBondContact O-N 3.42Å
176T57.7Low82Confident49 Ų4965.7 Ų65.730%0.30135%0.354SS..  trans-109.22-177.557.40000114.4K50 F51 M172K50-T176 HydrophobicContact CB-CG2 4.43Å; F51-T176 HydrophobicContact CB-CG2 4.34Å; M172-T176 WeakPolarHBondContact O-CB 3.49Å; M172-T176 WeakPolarHBondContact O-CG2 3.36Å; M172-T176 PolarHBondContact O-N 2.99Å; M172-T176 VanDerWaalsContact O-N 3.1Å; M172-T176 PolarHBondContact O-OG1 2.66Å
177S48.4Very low80.7Confident159 Ų15965.5 Ų65.5100%1.11235%0.354SS*.  trans-87.20175-66.50000111.8G173G173-S177 WeakPolarHBondContact O-CB 3.49Å; G173-S177 PolarHBondContact O-N 3.31Å; G173-S177 PolarHBondContact O-OG 2.9Å

Retrieved 177 of 177 residues in 915.5 ms (Link to these results)

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