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Protein kinase C and casein kinase substrate in neurons 3

Plays a role in endocytosis and regulates internalization of plasma membrane proteins. Overexpression impairs internalization of SLC2A1/GLUT1 and TRPV4 and increases the levels of SLC2A1/GLUT1 and TRPV4 at the cell membrane. Inhibits the TRPV4 calcium channel activity.

AlphaFold DB , UniProt , Accession A0A087XR98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 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
1M36.1Very low41Very low248 Ų248124.9 Ų124.9100%1.22276%0.758SS**  0117.30-75.6179.3160.300108.8
2S34.7Very low42.1Very low123 Ų123123.3 Ų123.386%0.8676%0.756SS**  trans-90.6128.1179.2-59.60000111.1N4S2-N4 PolarHBondContact O-N 2.91Å
3S41.1Very low44.1Very low120 Ų120120.1 Ų120.184%0.83974%0.742SS**  trans-89.878.6176-170.80000110.8G5S3-G5 PolarHBondContact O-N 2.64Å
4N39.4Very low47.2Very low157 Ų157115.2 Ų115.284%0.8471%0.709SS**  trans-7795.6155.6-80.62.1000107.1S2 D6S2-N4 PolarHBondContact O-N 2.91Å; N4-D6 PolarHBondContact O-N 3.44Å; N4-D6 VanDerWaalsContact O-N 3.09Å
5G40.2Very low50.4Low56 Ų56110.7 Ų110.758%0.57768%0.684SS**  trans-71.299177.800000110.8S3 V7S3-G5 PolarHBondContact O-N 2.64Å; G5-V7 VanDerWaalsContact O-CG2 3.29Å; G5-V7 WeakPolarHBondContact O-CG2 3.49Å; G5-V7 PolarHBondContact O-N 2.71Å
6D36.8Very low53.3Low136 Ų136106.8 Ų106.873%0.72766%0.655SS**  trans-78.298.2172.8-162.1-13.5000109.4N4 S8N4-D6 PolarHBondContact O-N 3.44Å; N4-D6 VanDerWaalsContact O-N 3.09Å; D6-S8 PolarHBondContact O-N 2.65Å; D6-S8 VanDerWaalsContact O-N 3.12Å; D6-S8 WeakPolarHBondContact OD1-CB 3.4Å; D6-S8 PolarHBondContact OD1-OG 2.74Å
7V50.6Low55.9Low136 Ų136105.4 Ų105.482%0.82463%0.634SS**THydrogen-bonded Turntrans-85.628.7-170.5-1560000111.9G5G5-V7 VanDerWaalsContact O-CG2 3.29Å; G5-V7 WeakPolarHBondContact O-CG2 3.49Å; G5-V7 PolarHBondContact O-N 2.71Å
8S44Very low58.2Low90 Ų90103.7 Ų103.763%0.62962%0.618SS**THydrogen-bonded Turntrans-107.5-15.3-16563.50000116.1D6D6-S8 PolarHBondContact O-N 2.65Å; D6-S8 VanDerWaalsContact O-N 3.12Å; D6-S8 WeakPolarHBondContact OD1-CB 3.4Å; D6-S8 PolarHBondContact OD1-OG 2.74Å
9D40.9Very low60.2Low143 Ų143101.4 Ų101.477%0.76561%0.607SS**  trans-140.761.8177.2-16415.8000114.1
10L44.6Very low62Low127 Ų12797.1 Ų97.167%0.66558%0.584SS**  trans-9686159.4-74.3177.2000109.6D14L10-D14 HydrophobicContact CD2-CB 4.05Å
11G42.3Very low63.7Low38 Ų3894.4 Ų94.439%0.39257%0.567SS.*  trans-52.3155.9168.900000112.7S13 D14G11-S13 PolarHBondContact O-N 3.33Å; G11-D14 PolarHBondContact O-N 2.64Å; G11-D14 VanDerWaalsContact O-N 3.14Å
12S55.3Low66.6Low105 Ų10583.2 Ų83.273%0.73451%0.511SS*.G310 helixtrans-62-8.4-165.864.50000116.3D14S12-D14 PolarHBondContact O-N 2.76Å
13S67.4Low69.6Low82 Ų8283.4 Ų83.457%0.57350%0.496SS*.G310 helixtrans-62-25.6172.4520000113.9G11 N21G11-S13 PolarHBondContact O-N 3.33Å; S13-N21 PolarHBondContact O-ND2 3.37Å
14D87.5Confident72.3Confident52 Ų5284.9 Ų84.928%0.27848%0.483SS..G310 helixtrans-104.40.7-163.3-86.257.3000114.4L10 G11 S12 R24L10-D14 HydrophobicContact CD2-CB 4.05Å; G11-D14 PolarHBondContact O-N 2.64Å; G11-D14 VanDerWaalsContact O-N 3.14Å; S12-D14 PolarHBondContact O-N 2.76Å; D14-R24 PolarHBondContact O-NH1 2.77Å; D14-R24 IonicContact OD2-CZ 3.29Å; D14-R24 VanDerWaalsContact OD2-CZ 3.25Å; D14-R24 IonicContact OD2-NH1 2.94Å; D14-R24 PolarHBondContact OD2-NH1 3.06Å; D14-R24 IonicContact OD2-NH2 2.68Å; D14-R24 PolarHBondContact OD2-NH2 3.22Å
15S95.5Very high75.1Confident48 Ų4878.1 Ų78.134%0.33645%0.448SS..  trans-59.6136.7175.9176.60000111.6W17 E18 N21S15-W17 PolarHBondContact O-N 3.01Å; S15-W17 VanDerWaalsContact O-N 3.11Å; S15-W17 PolarHBondContact OG-N 3.27Å; S15-E18 PolarHBondContact O-N 2.96Å; S15-E18 VanDerWaalsContact O-N 3.09Å; S15-N21 VanDerWaalsContact O-CB 3.22Å; S15-N21 WeakPolarHBondContact O-CB 3.38Å; S15-N21 PolarHBondContact O-ND2 2.61Å
16F97.4Very high77.9Confident48 Ų4876 Ų7621%0.21142%0.424CS..THydrogen-bonded Turntrans-52.6-31.7173.3167.4-98.7000112.9E18 F136 M224 F228F16-E18 VanDerWaalsContact C-N 3.28Å; F16-E18 PolarHBondContact O-N 3.26Å; F16-F136 HydrophobicContact CE2-CE1 4.08Å; F16-F136 HydrophobicContact CE2-CZ 4.35Å; F16-F136 HydrophobicContact CZ-CD1 4.46Å; F16-F136 AromaticContact CZ-CE1 3.83Å; F16-F136 HydrophobicContact CZ-CE1 3.83Å; F16-F136 HydrophobicContact CZ-CZ 4.47Å; F16-M224 HydrophobicContact CE1-CB 4.35Å; F16-M224 HydrophobicContact CE1-CE 3.92Å; F16-M224 HydrophobicContact CE2-CE 4.34Å; F16-M224 HydrophobicContact CZ-CE 3.71Å; F16-F228 AromaticContact CE2-CD2 3.88Å; F16-F228 HydrophobicContact CE2-CD2 3.88Å; F16-F228 HydrophobicContact CE2-CE2 4.4Å; F16-F228 HydrophobicContact CZ-CB 4.35Å; F16-F228 AromaticContact CZ-CD2 3.96Å; F16-F228 HydrophobicContact CZ-CD2 3.96Å; F16-F228 HydrophobicContact CZ-CG 4.49Å
17W97Very high80.8Confident83 Ų8374.9 Ų74.931%0.31441%0.412SS..THydrogen-bonded Turntrans-72.6-15.5-178-61.7115.5000114.6S15 Y220 M221 M224 E225S15-W17 PolarHBondContact O-N 3.01Å; S15-W17 VanDerWaalsContact O-N 3.11Å; S15-W17 PolarHBondContact OG-N 3.27Å; W17-Y220 HydrophobicContact CE3-CE1 4.07Å; W17-Y220 PolarHBondContact O-OH 2.8Å; W17-M221 HydrophobicContact CE3-CG 4.44Å; W17-M221 HydrophobicContact CH2-CB 3.94Å; W17-M221 HydrophobicContact CH2-CE 4.3Å; W17-M221 HydrophobicContact CH2-CG 3.8Å; W17-M221 HydrophobicContact CZ2-CE 4.11Å; W17-M221 HydrophobicContact CZ2-CG 4.38Å; W17-M221 HydrophobicContact CZ3-CB 4.16Å; W17-M221 HydrophobicContact CZ3-CG 3.85Å; W17-M224 HydrophobicContact CZ3-CB 3.85Å; W17-M224 HydrophobicContact CZ3-CG 4.33Å; W17-E225 HydrophobicContact CH2-CG 4Å; W17-E225 WeakPolarHBondContact CH2-OE1 3.5Å
18E96.4Very high83.1Confident74 Ų7471.8 Ų71.835%0.34639%0.386SS..SBendtrans-75.7156.1178.4-71.6-63.3155.600112.4S15 F16 G20 N21 Q140S15-E18 PolarHBondContact O-N 2.96Å; S15-E18 VanDerWaalsContact O-N 3.09Å; F16-E18 VanDerWaalsContact C-N 3.28Å; F16-E18 PolarHBondContact O-N 3.26Å; E18-G20 PolarHBondContact O-N 3.12Å; E18-N21 PolarHBondContact O-N 3.4Å; E18-Q140 PolarHBondContact O-NE2 3.49Å; E18-Q140 VanDerWaalsContact O-NE2 3.15Å
19P96.4Very high85.7Confident61 Ų6168.6 Ų68.640%0.39636%0.362SS..THydrogen-bonded Turntrans-56.6110.7-175.2-27.836.4000114.4Q140 W143 V144 L147P19-Q140 VanDerWaalsContact CA-OE1 3.31Å; P19-W143 HydrophobicContact CG-CZ3 4.28Å; P19-V144 HydrophobicContact CB-CG2 3.93Å; P19-V144 HydrophobicContact CG-CG2 3.93Å; P19-L147 HydrophobicContact CG-CD2 3.96Å
20G95.8Very high88.4Confident15 Ų1564.5 Ų64.516%0.15534%0.34CS..THydrogen-bonded Turntrans89.3-3.5176.900000116.9E18 Y22 K23E18-G20 PolarHBondContact O-N 3.12Å; G20-Y22 VanDerWaalsContact C-N 3.27Å; G20-Y22 PolarHBondContact O-N 3.37Å; G20-K23 WeakPolarHBondContact O-CB 3.42Å; G20-K23 WeakPolarHBondContact O-CD 3.41Å; G20-K23 WeakPolarHBondContact O-CG 3.22Å; G20-K23 PolarHBondContact O-N 3.39Å
21N97.8Very high90.9Very high41 Ų4160.9 Ų60.922%0.21932%0.321CS..THydrogen-bonded Turntrans-71.8-17.4-175.7-80.9-5.4000114.4S13 S15 E18 K23 R24S13-N21 PolarHBondContact O-ND2 3.37Å; S15-N21 VanDerWaalsContact O-CB 3.22Å; S15-N21 WeakPolarHBondContact O-CB 3.38Å; S15-N21 PolarHBondContact O-ND2 2.61Å; E18-N21 PolarHBondContact O-N 3.4Å; N21-K23 PolarHBondContact O-N 3.17Å; N21-R24 PolarHBondContact O-N 3.42Å
22Y98.1Very high93.6Very high13 Ų1359.1 Ų59.15%0.05130%0.303CS..THydrogen-bonded Turntrans-54.4-16.9167.462.9-102.4000114.2G20 R24 T25 V26 F136 R137 M224G20-Y22 VanDerWaalsContact C-N 3.27Å; G20-Y22 PolarHBondContact O-N 3.37Å; Y22-R24 PolarHBondContact O-N 3.3Å; Y22-R24 VanDerWaalsContact O-N 3.13Å; Y22-T25 WeakPolarHBondContact O-CA 2.85Å; Y22-T25 VanDerWaalsContact O-CB 3.3Å; Y22-T25 WeakPolarHBondContact O-CB 3.46Å; Y22-T25 PolarHBondContact O-N 3.24Å; Y22-V26 HydrophobicContact CD2-CG2 4.02Å; Y22-V26 PolarHBondContact O-N 3.01Å; Y22-V26 VanDerWaalsContact O-N 3.12Å; Y22-F136 HydrophobicContact CD1-CB 3.82Å; Y22-F136 HydrophobicContact CD1-CG 4.36Å; Y22-F136 HydrophobicContact CD2-CB 3.36Å; Y22-F136 AromaticContact CD2-CD2 3.61Å; Y22-F136 HydrophobicContact CD2-CD2 3.61Å; Y22-F136 AromaticContact CD2-CG 3.66Å; Y22-F136 HydrophobicContact CD2-CG 3.66Å; Y22-F136 HydrophobicContact CE1-CB 4Å; Y22-F136 HydrophobicContact CE2-CB 3.61Å; Y22-F136 HydrophobicContact CE2-CD2 4.45Å; Y22-F136 HydrophobicContact CE2-CG 4.38Å; Y22-F136 HydrophobicContact CG-CB 3.5Å; Y22-F136 HydrophobicContact CG-CD1 4.24Å; Y22-F136 AromaticContact CG-CD2 3.97Å; Y22-F136 HydrophobicContact CG-CD2 3.97Å; Y22-F136 AromaticContact CG-CG 3.67Å; Y22-F136 HydrophobicContact CG-CG 3.67Å; Y22-R137 VanDerWaalsContact OH-CG 3.25Å; Y22-R137 WeakPolarHBondContact OH-CG 3.44Å; Y22-M224 HydrophobicContact CD1-CE 4.07Å
23K97.9Very high95.7Very high126 Ų12655.4 Ų55.455%0.54827%0.274SS..Hα-helixtrans-55.4-27.2175.2-75.6173.6-179.2179.30113.5G20 N21 T25 V26 K27G20-K23 WeakPolarHBondContact O-CB 3.42Å; G20-K23 WeakPolarHBondContact O-CD 3.41Å; G20-K23 WeakPolarHBondContact O-CG 3.22Å; G20-K23 PolarHBondContact O-N 3.39Å; N21-K23 PolarHBondContact O-N 3.17Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-V26 PolarHBondContact O-N 3.17Å; K23-K27 WeakPolarHBondContact O-CB 3.41Å; K23-K27 PolarHBondContact O-N 3.38Å
24R97.8Very high97.1Very high151 Ų15158.5 Ų58.557%0.5727%0.273SS*.Hα-helixtrans-59.9-43.7171.6-68.4179.2172.4166.3-1.2111.1D14 N21 Y22 R28D14-R24 PolarHBondContact O-NH1 2.77Å; D14-R24 IonicContact OD2-CZ 3.29Å; D14-R24 VanDerWaalsContact OD2-CZ 3.25Å; D14-R24 IonicContact OD2-NH1 2.94Å; D14-R24 PolarHBondContact OD2-NH1 3.06Å; D14-R24 IonicContact OD2-NH2 2.68Å; D14-R24 PolarHBondContact OD2-NH2 3.22Å; N21-R24 PolarHBondContact O-N 3.42Å; Y22-R24 PolarHBondContact O-N 3.3Å; Y22-R24 VanDerWaalsContact O-N 3.13Å; R24-R28 PolarHBondContact O-N 3.28Å
25T98.3Very high97.7Very high16 Ų1659 Ų5910%0.09828%0.276CS..Hα-helixtrans-68.5-40176.4-47.40000112.3Y22 K23 R28 F136 F228 T231Y22-T25 WeakPolarHBondContact O-CA 2.85Å; Y22-T25 VanDerWaalsContact O-CB 3.3Å; Y22-T25 WeakPolarHBondContact O-CB 3.46Å; Y22-T25 PolarHBondContact O-N 3.24Å; K23-T25 VanDerWaalsContact C-N 3.33Å; T25-R28 WeakPolarHBondContact O-CB 3.44Å; T25-R28 PolarHBondContact O-N 2.95Å; T25-F136 HydrophobicContact CG2-CE2 4.31Å; T25-F136 HydrophobicContact CG2-CZ 4.18Å; T25-F228 HydrophobicContact CG2-CD2 3.96Å; T25-F228 HydrophobicContact CG2-CE2 4.11Å; T25-T231 HydrophobicContact CG2-CG2 4.27Å; T25-T231 WeakPolarHBondContact CG2-OG1 3.33Å
26V98.4Very high97.8Very high11 Ų1156.8 Ų56.87%0.06726%0.26CS..Hα-helixtrans-64.2-48.7176.7174.70000111.2Y22 K23 R28 I29 T129 A132 D133 F136Y22-V26 HydrophobicContact CD2-CG2 4.02Å; Y22-V26 PolarHBondContact O-N 3.01Å; Y22-V26 VanDerWaalsContact O-N 3.12Å; K23-V26 PolarHBondContact O-N 3.17Å; V26-R28 PolarHBondContact O-N 3.37Å; V26-I29 WeakPolarHBondContact O-CB 3.26Å; V26-I29 WeakPolarHBondContact O-CG1 3.47Å; V26-I29 PolarHBondContact O-N 3.1Å; V26-T129 HydrophobicContact CG1-CG2 3.55Å; V26-A132 HydrophobicContact CG2-CB 4.41Å; V26-D133 HydrophobicContact CG1-CB 4.06Å; V26-D133 HydrophobicContact CG2-CB 4.31Å; V26-F136 HydrophobicContact CG2-CD2 3.71Å; V26-F136 HydrophobicContact CG2-CE2 3.96Å
27K98.1Very high97.9Very high113 Ų11358.2 Ų58.249%0.49127%0.27SS..Hα-helixtrans-57.6-32.4180-172.3-170.6174.1-65.40112.7K23 I29 D30 D31K23-K27 WeakPolarHBondContact O-CB 3.41Å; K23-K27 PolarHBondContact O-N 3.38Å; K27-I29 PolarHBondContact O-N 2.94Å; K27-I29 VanDerWaalsContact O-N 3.09Å; K27-D30 PolarHBondContact O-N 2.91Å; K27-D30 VanDerWaalsContact O-N 3.08Å; K27-D31 IonicContact NZ-OD1 3.8Å; K27-D31 PolarHBondContact NZ-OD1 3.38Å; K27-D31 IonicContact NZ-OD2 2.7Å; K27-D31 PolarHBondContact NZ-OD2 3.46Å; K27-D31 PolarHBondContact O-N 3.47Å
28R98.5Very high97.9Very high70 Ų7058.1 Ų58.126%0.26427%0.273SS..Hα-helixtrans-56.1-25.6176.2-167.117966.6178.22.2112.9R24 T25 V26 G32 T231 Q232R24-R28 PolarHBondContact O-N 3.28Å; T25-R28 WeakPolarHBondContact O-CB 3.44Å; T25-R28 PolarHBondContact O-N 2.95Å; V26-R28 PolarHBondContact O-N 3.37Å; R28-G32 PolarHBondContact O-N 2.88Å; R28-T231 PolarHBondContact NH2-O 2.7Å; R28-Q232 VanDerWaalsContact NH2-CD 3.27Å; R28-Q232 VanDerWaalsContact NH2-NE2 3.2Å
29I98.1Very high98.1Very high24 Ų2455.6 Ų55.612%0.12326%0.262CS..Hα-helixtrans-70.6-49.5176.5-55.6171.1000110.2V26 K27 G32 H33 F118 E128 T129 A132 T231V26-I29 WeakPolarHBondContact O-CB 3.26Å; V26-I29 WeakPolarHBondContact O-CG1 3.47Å; V26-I29 PolarHBondContact O-N 3.1Å; K27-I29 PolarHBondContact O-N 2.94Å; K27-I29 VanDerWaalsContact O-N 3.09Å; I29-G32 PolarHBondContact O-N 3.29Å; I29-G32 VanDerWaalsContact O-N 3.13Å; I29-H33 PolarHBondContact O-N 3.46Å; I29-F118 HydrophobicContact CG2-CD1 4.38Å; I29-F118 HydrophobicContact CG2-CE1 3.97Å; I29-F118 VanDerWaalsContact O-CE1 3.29Å; I29-F118 WeakPolarHBondContact O-CE1 3.29Å; I29-E128 HydrophobicContact CG2-CB 3.86Å; I29-T129 WeakPolarHBondContact CG2-OG1 3.48Å; I29-A132 HydrophobicContact CD1-CB 3.62Å; I29-T231 HydrophobicContact CD1-CG2 4.33Å
30D97.4Very high98.2Very high57 Ų5753.1 Ų53.131%0.30525%0.245SC..Hα-helixtrans-63.4-41.8175.6-57.8-38.6000111.5K27 G32 H33 R34 F126 T129K27-D30 PolarHBondContact O-N 2.91Å; K27-D30 VanDerWaalsContact O-N 3.08Å; D30-G32 VanDerWaalsContact C-N 3.26Å; D30-G32 PolarHBondContact O-N 2.97Å; D30-H33 PolarHBondContact O-N 3.28Å; D30-R34 PolarHBondContact O-N 3.02Å; D30-F126 WeakPolarHBondContact OD1-CD2 3.42Å; D30-T129 WeakPolarHBondContact OD1-CB 3.31Å; D30-T129 VanDerWaalsContact OD1-CG2 3.28Å; D30-T129 WeakPolarHBondContact OD1-CG2 3.31Å; D30-T129 PolarHBondContact OD1-OG1 2.62Å; D30-T129 WeakPolarHBondContact OD2-CG2 3.34Å
31D98.3Very high98.3Very high50 Ų5055 Ų5527%0.26726%0.256SS..Hα-helixtrans-61.5-35.7174.2-66.9-31.3000111.1K27 R34 L35K27-D31 IonicContact NZ-OD1 3.8Å; K27-D31 PolarHBondContact NZ-OD1 3.38Å; K27-D31 IonicContact NZ-OD2 2.7Å; K27-D31 PolarHBondContact NZ-OD2 3.46Å; K27-D31 PolarHBondContact O-N 3.47Å; D31-R34 WeakPolarHBondContact O-CB 3.27Å; D31-R34 PolarHBondContact O-N 3.26Å; D31-L35 WeakPolarHBondContact O-CB 3.26Å; D31-L35 VanDerWaalsContact O-CG 3.26Å; D31-L35 WeakPolarHBondContact O-CG 3.48Å; D31-L35 PolarHBondContact O-N 2.93Å
32G98.3Very high98.4Very high2 Ų256.2 Ų56.22%0.02127%0.267CS..Hα-helixtrans-61.6-43.1174.900000113.3R28 I29 D30 C36R28-G32 PolarHBondContact O-N 2.88Å; I29-G32 PolarHBondContact O-N 3.29Å; I29-G32 VanDerWaalsContact O-N 3.13Å; D30-G32 VanDerWaalsContact C-N 3.26Å; D30-G32 PolarHBondContact O-N 2.97Å; G32-C36 PolarHBondContact O-SG 2.84Å
33H98.4Very high98.4Very high26 Ų2657.3 Ų57.312%0.1227%0.272CS..Hα-helixtrans-64.5-43.8172.2171.3-74.1000111.1I29 D30 C36 Q114 F118 F126I29-H33 PolarHBondContact O-N 3.46Å; D30-H33 PolarHBondContact O-N 3.28Å; H33-C36 WeakPolarHBondContact O-CB 3.36Å; H33-C36 PolarHBondContact O-N 3.24Å; H33-Q114 PolarHBondContact O-NE2 2.88Å; H33-F118 HydrophobicContact CB-CB 4.49Å; H33-F118 HydrophobicContact CB-CD1 3.95Å; H33-F118 HydrophobicContact CB-CD2 3.8Å; H33-F118 HydrophobicContact CB-CE1 4.04Å; H33-F118 HydrophobicContact CB-CE2 3.9Å; H33-F118 HydrophobicContact CB-CG 3.83Å; H33-F118 HydrophobicContact CB-CZ 4.03Å; H33-F118 AromaticContact CD2-CD2 3.98Å; H33-F118 AromaticContact CD2-CG 3.96Å; H33-F118 VanDerWaalsContact N-CZ 3.32Å; H33-F126 HydrophobicContact CB-CE2 4Å; H33-F126 HydrophobicContact CB-CZ 3.95Å; H33-F126 AromaticContact CD2-CE1 3.38Å; H33-F126 WeakPolarHBondContact CD2-CE1 3.34Å; H33-F126 AromaticContact CD2-CZ 3.24Å; H33-F126 WeakPolarHBondContact CD2-CZ 3.48Å; H33-F126 AromaticContact CE1-CZ 3.72Å; H33-F126 AromaticContact CG-CE1 3.95Å; H33-F126 AromaticContact CG-CE2 3.89Å; H33-F126 AromaticContact CG-CZ 3.34Å; H33-F126 AromaticContact ND1-CZ 3.62Å; H33-F126 AromaticContact NE2-CE1 3.65Å; H33-F126 AromaticContact NE2-CZ 3.48Å; H33-F126 WeakPolarHBondContact NE2-CZ 3.33Å
34R98.4Very high98.4Very high147 Ų14754.2 Ų54.256%0.55526%0.26SS*.Hα-helixtrans-59-46.9178.2173.4-178165159.71.6111.8D30 D31 C36 N37 E38D30-R34 PolarHBondContact O-N 3.02Å; D31-R34 WeakPolarHBondContact O-CB 3.27Å; D31-R34 PolarHBondContact O-N 3.26Å; R34-C36 PolarHBondContact O-N 3.4Å; R34-C36 VanDerWaalsContact O-N 3.16Å; R34-N37 WeakPolarHBondContact O-CB 3.43Å; R34-N37 PolarHBondContact O-N 3.45Å; R34-E38 HydrophobicContact CG-CG 4.44Å; R34-E38 IonicContact CZ-OE1 2.73Å; R34-E38 IonicContact NE-OE1 2.66Å; R34-E38 PolarHBondContact NE-OE1 2.89Å; R34-E38 IonicContact NE-OE2 2.72Å; R34-E38 IonicContact NH2-OE1 3.92Å; R34-E38 PolarHBondContact NH2-OE1 3.3Å; R34-E38 PolarHBondContact O-N 2.9Å; R34-E38 VanDerWaalsContact O-N 3.16Å
35L98.8Very high98.5Very high64 Ų6451.5 Ų51.534%0.33525%0.253SS..Hα-helixtrans-59.2-27-180-77.1163.9000112.9D31 E38 L39 F242D31-L35 WeakPolarHBondContact O-CB 3.26Å; D31-L35 VanDerWaalsContact O-CG 3.26Å; D31-L35 WeakPolarHBondContact O-CG 3.48Å; D31-L35 PolarHBondContact O-N 2.93Å; L35-E38 PolarHBondContact O-N 3.44Å; L35-L39 WeakPolarHBondContact O-CB 3.49Å; L35-L39 PolarHBondContact O-N 3.19Å; L35-F242 HydrophobicContact CB-CE1 4.16Å; L35-F242 HydrophobicContact CB-CZ 3.95Å
36C98.7Very high98.5Very high1 Ų155.4 Ų55.41%0.00727%0.266CS..Hα-helixtrans-67.7-38.3174.1-57.80000111.5G32 H33 R34 V40 V110 Q114G32-C36 PolarHBondContact O-SG 2.84Å; H33-C36 WeakPolarHBondContact O-CB 3.36Å; H33-C36 PolarHBondContact O-N 3.24Å; R34-C36 PolarHBondContact O-N 3.4Å; R34-C36 VanDerWaalsContact O-N 3.16Å; C36-V40 WeakPolarHBondContact O-CG2 3.47Å; C36-V40 PolarHBondContact O-N 3.08Å; C36-V40 VanDerWaalsContact O-N 3.16Å; C36-V110 HydrophobicContact CB-CG1 3.84Å; C36-Q114 HydrophobicContact CB-CB 4.11Å; C36-Q114 HydrophobicContact CB-CG 4.03Å
37N98.4Very high98.5Very high78 Ų7855 Ų5542%0.41726%0.264SS..Hα-helixtrans-68-40.7174.4-64.4-26.9000111.6R34 V40 S41 Q114R34-N37 WeakPolarHBondContact O-CB 3.43Å; R34-N37 PolarHBondContact O-N 3.45Å; N37-V40 PolarHBondContact O-N 3.13Å; N37-S41 PolarHBondContact O-N 2.94Å; N37-Q114 PolarHBondContact OD1-NE2 2.68Å
38E98.7Very high98.5Very high80 Ų8056.3 Ų56.337%0.37427%0.27SS..Hα-helixtrans-67.1-40.2-180-67.3175.7153.600111.5R34 L35 S41 C42R34-E38 HydrophobicContact CG-CG 4.44Å; R34-E38 IonicContact CZ-OE1 2.73Å; R34-E38 IonicContact NE-OE1 2.66Å; R34-E38 PolarHBondContact NE-OE1 2.89Å; R34-E38 IonicContact NE-OE2 2.72Å; R34-E38 IonicContact NH2-OE1 3.92Å; R34-E38 PolarHBondContact NH2-OE1 3.3Å; R34-E38 PolarHBondContact O-N 2.9Å; R34-E38 VanDerWaalsContact O-N 3.16Å; L35-E38 PolarHBondContact O-N 3.44Å; E38-S41 PolarHBondContact O-N 3.13Å; E38-C42 WeakPolarHBondContact O-CB 3.44Å; E38-C42 PolarHBondContact O-N 3.17Å
39L98.7Very high98.5Very high22 Ų2258.2 Ų58.212%0.11528%0.284CS..Hα-helixtrans-59.5-46.7172.4-176.466.6000111.5L35 F43 V110 F242 V245 L246L35-L39 WeakPolarHBondContact O-CB 3.49Å; L35-L39 PolarHBondContact O-N 3.19Å; L39-F43 HydrophobicContact CD1-CD2 3.9Å; L39-F43 HydrophobicContact CD1-CE2 3.71Å; L39-F43 HydrophobicContact CG-CD2 4.48Å; L39-F43 WeakPolarHBondContact O-CD2 3.41Å; L39-F43 PolarHBondContact O-N 3.41Å; L39-V110 HydrophobicContact CD2-CG2 4.01Å; L39-F242 HydrophobicContact CB-CE1 4.28Å; L39-F242 HydrophobicContact CD2-CD1 4.05Å; L39-F242 HydrophobicContact CD2-CE1 3.9Å; L39-F242 HydrophobicContact CD2-CG 4.44Å; L39-F242 HydrophobicContact CD2-CZ 4.16Å; L39-V245 HydrophobicContact CD2-CG1 4.2Å; L39-L246 HydrophobicContact CD1-CD2 4.14Å
40V98.8Very high98.6Very high8 Ų857.5 Ų57.55%0.04828%0.281CS..Hα-helixtrans-65.5-42.5177.9171.80000111.7C36 N37 F43 Q44 V110 R111C36-V40 WeakPolarHBondContact O-CG2 3.47Å; C36-V40 PolarHBondContact O-N 3.08Å; C36-V40 VanDerWaalsContact O-N 3.16Å; N37-V40 PolarHBondContact O-N 3.13Å; V40-F43 PolarHBondContact O-N 3.44Å; V40-Q44 HydrophobicContact CG1-CG 4.09Å; V40-Q44 VanDerWaalsContact O-CB 3.29Å; V40-Q44 WeakPolarHBondContact O-CB 3.47Å; V40-Q44 VanDerWaalsContact O-CG 3.24Å; V40-Q44 WeakPolarHBondContact O-CG 3.39Å; V40-Q44 PolarHBondContact O-N 3.25Å; V40-V110 HydrophobicContact CG2-CB 3.69Å; V40-V110 HydrophobicContact CG2-CG1 3.59Å; V40-V110 HydrophobicContact CG2-CG2 4.43Å; V40-R111 VanDerWaalsContact CG1-NH2 3.31Å
41S98.7Very high98.6Very high54 Ų5459.4 Ų59.438%0.37829%0.286SS..Hα-helixtrans-60.5-48.7177.4-1570000111.1N37 E38 F43 Q44 E45N37-S41 PolarHBondContact O-N 2.94Å; E38-S41 PolarHBondContact O-N 3.13Å; S41-F43 VanDerWaalsContact C-N 3.34Å; S41-F43 PolarHBondContact O-N 2.91Å; S41-Q44 CarbonylContact O-C 3.59Å; S41-Q44 PolarHBondContact O-N 3.06Å; S41-Q44 VanDerWaalsContact O-N 3.16Å; S41-E45 WeakPolarHBondContact CB-OE1 3.37Å; S41-E45 WeakPolarHBondContact O-CB 3.37Å; S41-E45 WeakPolarHBondContact O-CG 3.4Å; S41-E45 PolarHBondContact O-N 3.46Å; S41-E45 PolarHBondContact OG-OE1 2.89Å
42C98.8Very high98.7Very high68 Ų6859.8 Ų59.846%0.45929%0.293SS..Hα-helixtrans-55.3-45.4180-177.40000112.6E38 E45 R46E38-C42 WeakPolarHBondContact O-CB 3.44Å; E38-C42 PolarHBondContact O-N 3.17Å; C42-E45 PolarHBondContact O-N 2.93Å; C42-R46 PolarHBondContact O-N 3.22Å
43F98.7Very high98.7Very high36 Ų3664.6 Ų64.616%0.15831%0.311CS..Hα-helixtrans-82.9-22.6179.1-72.2-70.8000114.2L39 V40 S41 R46 A47 L102 L246 I249L39-F43 HydrophobicContact CD1-CD2 3.9Å; L39-F43 HydrophobicContact CD1-CE2 3.71Å; L39-F43 HydrophobicContact CG-CD2 4.48Å; L39-F43 WeakPolarHBondContact O-CD2 3.41Å; L39-F43 PolarHBondContact O-N 3.41Å; V40-F43 PolarHBondContact O-N 3.44Å; S41-F43 VanDerWaalsContact C-N 3.34Å; S41-F43 PolarHBondContact O-N 2.91Å; F43-R46 HydrophobicContact CD1-CB 4.24Å; F43-R46 HydrophobicContact CD1-CG 4.5Å; F43-A47 VanDerWaalsContact O-CB 3.32Å; F43-A47 WeakPolarHBondContact O-CB 3.33Å; F43-A47 PolarHBondContact O-N 2.94Å; F43-L102 HydrophobicContact CD1-CD2 4.26Å; F43-L246 HydrophobicContact CE2-CD2 3.99Å; F43-L246 HydrophobicContact CZ-CD2 4.23Å; F43-I249 HydrophobicContact CD1-CD1 4.43Å; F43-I249 HydrophobicContact CD1-CG2 3.72Å; F43-I249 HydrophobicContact CD2-CD1 3.7Å; F43-I249 HydrophobicContact CE1-CG2 3.46Å; F43-I249 VanDerWaalsContact CE1-CG2 3.46Å; F43-I249 HydrophobicContact CE2-CD1 3.97Å; F43-I249 HydrophobicContact CE2-CG2 4.39Å; F43-I249 HydrophobicContact CG-CD1 3.95Å; F43-I249 HydrophobicContact CG-CG2 4.31Å; F43-I249 HydrophobicContact CZ-CD1 4.46Å; F43-I249 HydrophobicContact CZ-CG2 3.83Å
44Q98.6Very high98.7Very high61 Ų6163.3 Ų63.329%0.28531%0.305SS..Hα-helixtrans-69.6-32.6165.5-74.2-173.1-14.800112.2V40 S41 K48 A103 R111V40-Q44 HydrophobicContact CG1-CG 4.09Å; V40-Q44 VanDerWaalsContact O-CB 3.29Å; V40-Q44 WeakPolarHBondContact O-CB 3.47Å; V40-Q44 VanDerWaalsContact O-CG 3.24Å; V40-Q44 WeakPolarHBondContact O-CG 3.39Å; V40-Q44 PolarHBondContact O-N 3.25Å; S41-Q44 CarbonylContact O-C 3.59Å; S41-Q44 PolarHBondContact O-N 3.06Å; S41-Q44 VanDerWaalsContact O-N 3.16Å; Q44-K48 WeakPolarHBondContact O-CG 3.31Å; Q44-K48 PolarHBondContact O-N 3.46Å; Q44-A103 HydrophobicContact CG-CB 4.17Å; Q44-R111 VanDerWaalsContact NE2-NH2 3.18Å
45E98.8Very high98.7Very high93 Ų9360.3 Ų60.344%0.43530%0.3SS..Hα-helixtrans-68.3-46.9170.7-72.6152.1-134.700110.8S41 C42 A47 K48 I49S41-E45 WeakPolarHBondContact CB-OE1 3.37Å; S41-E45 WeakPolarHBondContact O-CB 3.37Å; S41-E45 WeakPolarHBondContact O-CG 3.4Å; S41-E45 PolarHBondContact O-N 3.46Å; S41-E45 PolarHBondContact OG-OE1 2.89Å; C42-E45 PolarHBondContact O-N 2.93Å; E45-A47 VanDerWaalsContact C-N 3.29Å; E45-A47 PolarHBondContact O-N 3.07Å; E45-K48 WeakPolarHBondContact O-CB 3.48Å; E45-K48 PolarHBondContact O-N 3.36Å; E45-I49 PolarHBondContact O-N 2.96Å
46R98.8Very high98.8Very high98 Ų9863.1 Ų63.137%0.3731%0.311SS..Hα-helixtrans-54.3-44.5171.2179.862-168.2-95.91.8111.9C42 F43 K48 I49 E50 L102C42-R46 PolarHBondContact O-N 3.22Å; F43-R46 HydrophobicContact CD1-CB 4.24Å; F43-R46 HydrophobicContact CD1-CG 4.5Å; R46-K48 VanDerWaalsContact C-N 3.27Å; R46-K48 PolarHBondContact O-N 3Å; R46-I49 WeakPolarHBondContact O-CB 3.26Å; R46-I49 PolarHBondContact O-N 3.35Å; R46-E50 IonicContact CZ-OE1 2.75Å; R46-E50 IonicContact NE-OE1 2.95Å; R46-E50 PolarHBondContact NE-OE1 3.16Å; R46-E50 IonicContact NH2-OE1 2.68Å; R46-E50 PolarHBondContact NH2-OE1 3.46Å; R46-E50 PolarHBondContact O-N 3.37Å; R46-L102 HydrophobicContact CG-CD1 3.97Å
47A98.8Very high98.8Very high3 Ų364.3 Ų64.33%0.02532%0.317CS..Hα-helixtrans-61.9-29.4178.500000113.7F43 E45 K51 R99 L102 A103F43-A47 VanDerWaalsContact O-CB 3.32Å; F43-A47 WeakPolarHBondContact O-CB 3.33Å; F43-A47 PolarHBondContact O-N 2.94Å; E45-A47 VanDerWaalsContact C-N 3.29Å; E45-A47 PolarHBondContact O-N 3.07Å; A47-K51 PolarHBondContact O-N 3Å; A47-K51 VanDerWaalsContact O-N 3.11Å; A47-R99 HydrophobicContact CB-CB 4.37Å; A47-R99 HydrophobicContact CB-CG 4.06Å; A47-R99 WeakPolarHBondContact O-CB 3.1Å; A47-R99 VanDerWaalsContact O-CG 3.24Å; A47-R99 WeakPolarHBondContact O-CG 3.5Å; A47-L102 HydrophobicContact CB-CB 3.93Å; A47-L102 HydrophobicContact CB-CD1 4.38Å; A47-A103 HydrophobicContact CB-CB 3.84Å
48K98.8Very high98.8Very high140 Ų14062.8 Ų62.861%0.60931%0.312SS*.Hα-helixtrans-66.9-37172.5-64.8164.8-165.5167.60111.8Q44 E45 R46 K51 S52Q44-K48 WeakPolarHBondContact O-CG 3.31Å; Q44-K48 PolarHBondContact O-N 3.46Å; E45-K48 WeakPolarHBondContact O-CB 3.48Å; E45-K48 PolarHBondContact O-N 3.36Å; R46-K48 VanDerWaalsContact C-N 3.27Å; R46-K48 PolarHBondContact O-N 3Å; K48-K51 PolarHBondContact O-N 2.83Å; K48-S52 PolarHBondContact O-N 3.46Å
49I98.9Very high98.8Very high110 Ų11063.7 Ų63.756%0.56432%0.32SS*.Hα-helixtrans-64.1-49.1177.1-57.1172.8000109.6E45 R46 K51 S52 Y53E45-I49 PolarHBondContact O-N 2.96Å; R46-I49 WeakPolarHBondContact O-CB 3.26Å; R46-I49 PolarHBondContact O-N 3.35Å; I49-K51 VanDerWaalsContact C-N 3.32Å; I49-K51 PolarHBondContact O-N 3.09Å; I49-S52 WeakPolarHBondContact O-CB 3.48Å; I49-S52 PolarHBondContact O-N 2.96Å; I49-S52 VanDerWaalsContact O-N 3.08Å; I49-Y53 PolarHBondContact O-N 3.42Å
50E98.8Very high98.8Very high10 Ų1067.9 Ų67.95%0.04733%0.334CS..Hα-helixtrans-56.2-44.4176.6-58.7-53.7147.300112R46 S52 A54 H95 R99 L102R46-E50 IonicContact CZ-OE1 2.75Å; R46-E50 IonicContact NE-OE1 2.95Å; R46-E50 PolarHBondContact NE-OE1 3.16Å; R46-E50 IonicContact NH2-OE1 2.68Å; R46-E50 PolarHBondContact NH2-OE1 3.46Å; R46-E50 PolarHBondContact O-N 3.37Å; E50-S52 PolarHBondContact O-N 3.2Å; E50-A54 WeakPolarHBondContact O-CB 3.39Å; E50-A54 PolarHBondContact O-N 2.69Å; E50-H95 IonicContact OE2-CE1 3.67Å; E50-H95 PolarHBondContact OE2-CE1 3.06Å; E50-H95 IonicContact OE2-CG 3.08Å; E50-H95 IonicContact OE2-ND1 3.93Å; E50-H95 PolarHBondContact OE2-ND1 3.1Å; E50-R99 HydrophobicContact CB-CB 4.06Å; E50-L102 HydrophobicContact CG-CD1 4.38Å
51K98.8Very high98.8Very high96 Ų9667.5 Ų67.542%0.41733%0.332SS..Hα-helixtrans-60.9-43.5174.3-174.8179.5177.7-174.50112.7A47 K48 I49 A54 L55 M96 R99A47-K51 PolarHBondContact O-N 3Å; A47-K51 VanDerWaalsContact O-N 3.11Å; K48-K51 PolarHBondContact O-N 2.83Å; I49-K51 VanDerWaalsContact C-N 3.32Å; I49-K51 PolarHBondContact O-N 3.09Å; K51-A54 PolarHBondContact O-N 2.77Å; K51-L55 HydrophobicContact CG-CD1 4.03Å; K51-L55 HydrophobicContact CG-CG 4.39Å; K51-L55 WeakPolarHBondContact O-CG 3.36Å; K51-L55 PolarHBondContact O-N 2.58Å; K51-M96 HydrophobicContact CB-SD 4.49Å; K51-M96 HydrophobicContact CG-SD 4.05Å; K51-R99 HydrophobicContact CB-CG 4.1Å
52S98.8Very high98.8Very high59 Ų5972.1 Ų72.141%0.41335%0.345SS..Hα-helixtrans-63.1-46.9-178.3-171.80000111.1K48 I49 E50 L55 Q56K48-S52 PolarHBondContact O-N 3.46Å; I49-S52 WeakPolarHBondContact O-CB 3.48Å; I49-S52 PolarHBondContact O-N 2.96Å; I49-S52 VanDerWaalsContact O-N 3.08Å; E50-S52 PolarHBondContact O-N 3.2Å; S52-L55 PolarHBondContact O-N 2.7Å; S52-Q56 VanDerWaalsContact O-CG 3.32Å; S52-Q56 WeakPolarHBondContact O-CG 3.17Å; S52-Q56 PolarHBondContact O-N 3.24Å; S52-Q56 VanDerWaalsContact O-N 3.11Å; S52-Q56 PolarHBondContact O-NE2 3.27Å; S52-Q56 PolarHBondContact OG-NE2 2.92Å; S52-Q56 VanDerWaalsContact OG-NE2 3.1Å
53Y98.9Very high98.8Very high102 Ų10277.3 Ų77.340%0.436%0.355SS..Hα-helixtrans-61.6-45.3176.2-178.9-118.7000112.1I49 L55 Q56 L57 L91 H95I49-Y53 PolarHBondContact O-N 3.42Å; Y53-L55 PolarHBondContact O-N 3.41Å; Y53-Q56 PolarHBondContact O-N 2.94Å; Y53-L57 HydrophobicContact CD1-CD1 4.05Å; Y53-L57 HydrophobicContact CE1-CD1 3.59Å; Y53-L57 HydrophobicContact CE1-CG 4.37Å; Y53-L57 HydrophobicContact CE2-CD1 4.31Å; Y53-L57 HydrophobicContact CE2-CD2 4.39Å; Y53-L57 HydrophobicContact CE2-CG 4.23Å; Y53-L57 WeakPolarHBondContact O-CG 3.42Å; Y53-L57 PolarHBondContact O-N 2.98Å; Y53-L91 HydrophobicContact CE1-CD2 4.36Å; Y53-H95 AromaticContact CD1-CD2 3.83Å; Y53-H95 AromaticContact CD1-CE1 3.79Å; Y53-H95 AromaticContact CD1-CG 3.87Å; Y53-H95 AromaticContact CD1-ND1 3.84Å; Y53-H95 AromaticContact CD1-NE2 3.8Å; Y53-H95 AromaticContact CE1-CD2 3.77Å; Y53-H95 AromaticContact CE1-CE1 3.88Å; Y53-H95 AromaticContact CE1-NE2 3.51Å
54A98.9Very high98.8Very high0 Ų080 Ų800%036%0.364CS..Hα-helixtrans-59.4-46177.200000113.1E50 K51 L57 S58 S92 H95 M96E50-A54 WeakPolarHBondContact O-CB 3.39Å; E50-A54 PolarHBondContact O-N 2.69Å; K51-A54 PolarHBondContact O-N 2.77Å; A54-L57 PolarHBondContact O-N 2.62Å; A54-S58 PolarHBondContact O-N 3.33Å; A54-S58 VanDerWaalsContact O-N 3.11Å; A54-S92 VanDerWaalsContact C-OG 3.28Å; A54-S92 WeakPolarHBondContact CB-O 3.46Å; A54-S92 WeakPolarHBondContact O-CB 3.38Å; A54-S92 PolarHBondContact O-OG 2.89Å; A54-H95 HydrophobicContact CB-CB 3.92Å; A54-M96 HydrophobicContact CB-CG 3.76Å; A54-M96 HydrophobicContact CB-SD 4.07Å
55L98.8Very high98.8Very high84 Ų8480 Ų8044%0.4436%0.362SS..Hα-helixtrans-62.8-43.8178.2-71.8174.6000111.6K51 S52 Y53 L57 S58 D59K51-L55 HydrophobicContact CG-CD1 4.03Å; K51-L55 HydrophobicContact CG-CG 4.39Å; K51-L55 WeakPolarHBondContact O-CG 3.36Å; K51-L55 PolarHBondContact O-N 2.58Å; S52-L55 PolarHBondContact O-N 2.7Å; Y53-L55 PolarHBondContact O-N 3.41Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 2.63Å; L55-S58 PolarHBondContact O-N 2.89Å; L55-S58 VanDerWaalsContact O-N 3.13Å; L55-D59 PolarHBondContact O-N 2.61Å
56Q98.9Very high98.7Very high123 Ų12376.5 Ų76.558%0.57535%0.351SS*.Hα-helixtrans-60.1-39.9177.4-70.6173.152.900112.6S52 Y53 W60S52-Q56 VanDerWaalsContact O-CG 3.32Å; S52-Q56 WeakPolarHBondContact O-CG 3.17Å; S52-Q56 PolarHBondContact O-N 3.24Å; S52-Q56 VanDerWaalsContact O-N 3.11Å; S52-Q56 PolarHBondContact O-NE2 3.27Å; S52-Q56 PolarHBondContact OG-NE2 2.92Å; S52-Q56 VanDerWaalsContact OG-NE2 3.1Å; Y53-Q56 PolarHBondContact O-N 2.94Å; Q56-W60 WeakPolarHBondContact O-CB 3.45Å; Q56-W60 PolarHBondContact O-N 3.36Å
57L98.9Very high98.7Very high26 Ų2675.6 Ų75.614%0.13635%0.352CS..Hα-helixtrans-62.3-43.1173.7-73.6172.7000112.5Y53 A54 L55 S61 A88 L91Y53-L57 HydrophobicContact CD1-CD1 4.05Å; Y53-L57 HydrophobicContact CE1-CD1 3.59Å; Y53-L57 HydrophobicContact CE1-CG 4.37Å; Y53-L57 HydrophobicContact CE2-CD1 4.31Å; Y53-L57 HydrophobicContact CE2-CD2 4.39Å; Y53-L57 HydrophobicContact CE2-CG 4.23Å; Y53-L57 WeakPolarHBondContact O-CG 3.42Å; Y53-L57 PolarHBondContact O-N 2.98Å; A54-L57 PolarHBondContact O-N 2.62Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 2.63Å; L57-S61 VanDerWaalsContact O-CB 3.29Å; L57-S61 WeakPolarHBondContact O-CB 3.44Å; L57-S61 PolarHBondContact O-N 3.03Å; L57-A88 HydrophobicContact CB-CB 4.48Å; L57-A88 HydrophobicContact CD2-CB 4.21Å; L57-L91 HydrophobicContact CD1-CB 3.99Å; L57-L91 HydrophobicContact CD1-CD2 3.82Å; L57-L91 HydrophobicContact CD1-CG 3.7Å
58S98.8Very high98.7Very high45 Ų4575.7 Ų75.732%0.31535%0.353SS..Hα-helixtrans-68.4-44.7-179.1-170.60000111.7A54 L55 S61 K62A54-S58 PolarHBondContact O-N 3.33Å; A54-S58 VanDerWaalsContact O-N 3.11Å; L55-S58 PolarHBondContact O-N 2.89Å; L55-S58 VanDerWaalsContact O-N 3.13Å; S58-S61 PolarHBondContact O-N 3.32Å; S58-K62 VanDerWaalsContact O-CB 3.23Å; S58-K62 WeakPolarHBondContact O-CB 3.49Å; S58-K62 PolarHBondContact O-N 2.87Å
59D98.8Very high98.6Very high100 Ų10074.4 Ų74.454%0.53535%0.349SS..Hα-helixtrans-67.4-38.5176.7-77.8-38.6000112.2L55 R63L55-D59 PolarHBondContact O-N 2.61Å; D59-R63 VanDerWaalsContact O-CB 3.26Å; D59-R63 WeakPolarHBondContact O-CB 3.47Å; D59-R63 PolarHBondContact O-N 3.24Å
60W98.9Very high98.6Very high110 Ų11077.8 Ų77.842%0.41736%0.359SS..Hα-helixtrans-60-50171.617591.9000111.5Q56 R63 W64 F84 M85 A88Q56-W60 WeakPolarHBondContact O-CB 3.45Å; Q56-W60 PolarHBondContact O-N 3.36Å; W60-R63 PolarHBondContact O-N 3.09Å; W60-W64 AromaticContact CD1-CD1 3.54Å; W60-W64 AromaticContact CD1-NE1 3.72Å; W60-W64 AromaticContact CE2-CD1 3.55Å; W60-W64 AromaticContact CG-CD1 3.96Å; W60-W64 AromaticContact NE1-CD1 3.26Å; W60-W64 VanDerWaalsContact NE1-CD1 3.26Å; W60-W64 AromaticContact NE1-NE1 3.38Å; W60-W64 PolarHBondContact O-N 3.09Å; W60-F84 HydrophobicContact CH2-CB 4.22Å; W60-M85 HydrophobicContact CH2-CG 4.34Å; W60-M85 HydrophobicContact CH2-SD 4.24Å; W60-M85 HydrophobicContact CZ3-CG 4.08Å; W60-A88 HydrophobicContact CE3-CB 3.74Å; W60-A88 HydrophobicContact CZ3-CB 3.65Å
61S98.8Very high98.5Very high0 Ų079 Ų790%037%0.374CS..Hα-helixtrans-57.3-54178.7166.70000111.2L57 S58 R63 W64 R65 M85 D89L57-S61 VanDerWaalsContact O-CB 3.29Å; L57-S61 WeakPolarHBondContact O-CB 3.44Å; L57-S61 PolarHBondContact O-N 3.03Å; S58-S61 PolarHBondContact O-N 3.32Å; S61-R63 VanDerWaalsContact C-N 3.33Å; S61-R63 PolarHBondContact O-N 2.87Å; S61-W64 PolarHBondContact O-N 3.14Å; S61-R65 WeakPolarHBondContact O-CB 3.23Å; S61-R65 PolarHBondContact O-N 3.39Å; S61-M85 WeakPolarHBondContact OG-CB 3.49Å; S61-M85 PolarHBondContact OG-O 3.47Å; S61-M85 VanDerWaalsContact OG-O 3.13Å; S61-D89 WeakPolarHBondContact CB-OD1 3.37Å; S61-D89 PolarHBondContact OG-OD1 2.97Å; S61-D89 PolarHBondContact OG-OD2 3.28Å
62K98.8Very high98.5Very high150 Ų15080.5 Ų80.565%0.65239%0.394SS*.Hα-helixtrans-57.8-41.9179.6-178.6-180175.3-173.80112.5S58 G66S58-K62 VanDerWaalsContact O-CB 3.23Å; S58-K62 WeakPolarHBondContact O-CB 3.49Å; S58-K62 PolarHBondContact O-N 2.87Å; K62-G66 PolarHBondContact O-N 3.28Å
63R98.7Very high98.4Very high177 Ų17780.3 Ų80.367%0.66839%0.387SS*.Hα-helixtrans-63-54.2175.6176.9177.7175.6175.3-1111.4D59 W60 S61 G66 I67D59-R63 VanDerWaalsContact O-CB 3.26Å; D59-R63 WeakPolarHBondContact O-CB 3.47Å; D59-R63 PolarHBondContact O-N 3.24Å; W60-R63 PolarHBondContact O-N 3.09Å; S61-R63 VanDerWaalsContact C-N 3.33Å; S61-R63 PolarHBondContact O-N 2.87Å; R63-G66 PolarHBondContact O-N 3.41Å; R63-I67 HydrophobicContact CG-CD1 3.9Å; R63-I67 WeakPolarHBondContact O-CG1 3.42Å; R63-I67 PolarHBondContact O-N 3.08Å
64W98.8Very high98.4Very high92 Ų9278.1 Ų78.135%0.34838%0.378SS..Hα-helixtrans-71.5-35.2-174.8-79.9103.4000113.1W60 S61 G66 I67 V68 M85W60-W64 AromaticContact CD1-CD1 3.54Å; W60-W64 AromaticContact CD1-NE1 3.72Å; W60-W64 AromaticContact CE2-CD1 3.55Å; W60-W64 AromaticContact CG-CD1 3.96Å; W60-W64 AromaticContact NE1-CD1 3.26Å; W60-W64 VanDerWaalsContact NE1-CD1 3.26Å; W60-W64 AromaticContact NE1-NE1 3.38Å; W60-W64 PolarHBondContact O-N 3.09Å; S61-W64 PolarHBondContact O-N 3.14Å; W64-G66 PolarHBondContact O-N 3.25Å; W64-I67 HydrophobicContact CD2-CD1 4.47Å; W64-I67 HydrophobicContact CE3-CB 4.38Å; W64-I67 HydrophobicContact CE3-CD1 4.26Å; W64-I67 HydrophobicContact CE3-CG2 4.19Å; W64-I67 HydrophobicContact CZ3-CG2 4.21Å; W64-I67 PolarHBondContact O-N 2.96Å; W64-I67 VanDerWaalsContact O-N 3.13Å; W64-V68 WeakPolarHBondContact O-CG2 3.37Å; W64-V68 PolarHBondContact O-N 3.43Å; W64-M85 HydrophobicContact CB-CE 4.28Å; W64-M85 HydrophobicContact CB-CG 4.04Å; W64-M85 HydrophobicContact CB-SD 4.12Å
65R98.5Very high98.3Very high62 Ų6279 Ų7923%0.23439%0.388CS..Hα-helixtrans-53.8-53.4171.7-179.8178.6-54.6-71.73.6111S61 I67 V68 E69 H82 M85 D89S61-R65 WeakPolarHBondContact O-CB 3.23Å; S61-R65 PolarHBondContact O-N 3.39Å; R65-I67 PolarHBondContact O-N 2.96Å; R65-V68 PolarHBondContact O-N 3.26Å; R65-E69 WeakPolarHBondContact CG-OE1 3.46Å; R65-E69 WeakPolarHBondContact O-CB 3.26Å; R65-E69 WeakPolarHBondContact O-CG 3.5Å; R65-E69 PolarHBondContact O-N 2.81Å; R65-H82 PolarHBondContact O-CE1 3.12Å; R65-M85 HydrophobicContact CB-CB 4.45Å; R65-M85 HydrophobicContact CB-CG 4.32Å; R65-D89 IonicContact CZ-OD2 3.33Å; R65-D89 IonicContact NE-OD2 2.71Å; R65-D89 IonicContact NH2-OD2 2.93Å; R65-D89 PolarHBondContact NH2-OD2 3.41Å
66G97.6Very high98.3Very high20 Ų2076 Ų7621%0.20637%0.372CS..Hα-helixtrans-72.3-7.6178.200000115.9K62 R63 W64 K70K62-G66 PolarHBondContact O-N 3.28Å; R63-G66 PolarHBondContact O-N 3.41Å; W64-G66 PolarHBondContact O-N 3.25Å; G66-K70 VanDerWaalsContact O-CD 3.31Å; G66-K70 WeakPolarHBondContact O-CD 3.39Å; G66-K70 WeakPolarHBondContact O-CG 3.24Å
67I98.5Very high98.3Very high78 Ų7874.4 Ų74.440%0.437%0.367SS..Hα-helixtrans-88.2-45.1169.5-71.8167.2000110.1R63 W64 R65 K70 G71R63-I67 HydrophobicContact CG-CD1 3.9Å; R63-I67 WeakPolarHBondContact O-CG1 3.42Å; R63-I67 PolarHBondContact O-N 3.08Å; W64-I67 HydrophobicContact CD2-CD1 4.47Å; W64-I67 HydrophobicContact CE3-CB 4.38Å; W64-I67 HydrophobicContact CE3-CD1 4.26Å; W64-I67 HydrophobicContact CE3-CG2 4.19Å; W64-I67 HydrophobicContact CZ3-CG2 4.21Å; W64-I67 PolarHBondContact O-N 2.96Å; W64-I67 VanDerWaalsContact O-N 3.13Å; R65-I67 PolarHBondContact O-N 2.96Å; I67-K70 PolarHBondContact O-N 2.96Å; I67-G71 PolarHBondContact O-N 3.25Å
68V98.2Very high98.3Very high5 Ų575.6 Ų75.63%0.0337%0.372CS..Hα-helixtrans-67.2-44.9179.1177.50000111W64 R65 K70 G71 E78 W81 H82 M85W64-V68 WeakPolarHBondContact O-CG2 3.37Å; W64-V68 PolarHBondContact O-N 3.43Å; R65-V68 PolarHBondContact O-N 3.26Å; V68-K70 PolarHBondContact O-N 3.47Å; V68-G71 PolarHBondContact O-N 3.4Å; V68-E78 HydrophobicContact CG1-CG 4.1Å; V68-W81 HydrophobicContact CG1-CD2 4.41Å; V68-W81 HydrophobicContact CG1-CE3 4.38Å; V68-W81 HydrophobicContact CG2-CD2 3.7Å; V68-W81 HydrophobicContact CG2-CE3 4.12Å; V68-W81 HydrophobicContact CG2-CG 4.03Å; V68-W81 HydrophobicContact CG2-CH2 4.45Å; V68-W81 HydrophobicContact CG2-CZ2 4.06Å; V68-W81 HydrophobicContact CG2-CZ3 4.47Å; V68-H82 WeakPolarHBondContact CG1-NE2 3.49Å; V68-M85 HydrophobicContact CB-CE 4.24Å; V68-M85 HydrophobicContact CG2-CE 3.81Å
69E96.8Very high98.3Very high114 Ų11479.9 Ų79.953%0.53339%0.385SS..THydrogen-bonded Turntrans-57.7-18.8175.6-79.2162.4-172.300114.5R65R65-E69 WeakPolarHBondContact CG-OE1 3.46Å; R65-E69 WeakPolarHBondContact O-CB 3.26Å; R65-E69 WeakPolarHBondContact O-CG 3.5Å; R65-E69 PolarHBondContact O-N 2.81Å
70K97.9Very high98.3Very high180 Ų18075.4 Ų75.478%0.78336%0.362SS*.THydrogen-bonded Turntrans-113.30.3179-61.2178.6-169.8167.30112.7G66 I67 V68G66-K70 VanDerWaalsContact O-CD 3.31Å; G66-K70 WeakPolarHBondContact O-CD 3.39Å; G66-K70 WeakPolarHBondContact O-CG 3.24Å; I67-K70 PolarHBondContact O-N 2.96Å; V68-K70 PolarHBondContact O-N 3.47Å
71G97.8Very high98.3Very high35 Ų3575.6 Ų75.636%0.36136%0.363SS..SBendtrans-83.7178.4-17900000112.5I67 V68 Q73I67-G71 PolarHBondContact O-N 3.25Å; V68-G71 PolarHBondContact O-N 3.4Å; G71-Q73 VanDerWaalsContact C-N 3.26Å; G71-Q73 PolarHBondContact O-N 2.88Å
72P97.9Very high98.3Very high129 Ų12976.8 Ų76.884%0.83837%0.369SS*.SBendtrans-83.42.8174.335.6-36.5000113.4
73Q98.3Very high98.3Very high55 Ų5569.9 Ų69.926%0.25734%0.339SS..  trans-79.4140.6177.8-176.457.462.600110G71 E78 W81G71-Q73 VanDerWaalsContact C-N 3.26Å; G71-Q73 PolarHBondContact O-N 2.88Å; Q73-E78 HydrophobicContact CG-CB 4.02Å; Q73-W81 HydrophobicContact CG-CE3 4.23Å
74Y97.8Very high98.3Very high56 Ų5666 Ų6622%0.2233%0.328CS..  trans-137.8167-177.456.7-89.1000111.9E78 D280 W283 W284Y74-E78 VanDerWaalsContact CA-OE2 3.26Å; Y74-E78 WeakPolarHBondContact CA-OE2 3.1Å; Y74-E78 PolarHBondContact O-N 3.32Å; Y74-D280 HydrophobicContact CE2-CB 4.09Å; Y74-W283 HydrophobicContact CD1-CZ3 4.45Å; Y74-W283 AromaticContact CD2-CE3 3.53Å; Y74-W283 HydrophobicContact CD2-CE3 3.53Å; Y74-W283 AromaticContact CD2-CZ3 3.63Å; Y74-W283 HydrophobicContact CD2-CZ3 3.63Å; Y74-W283 AromaticContact CE2-CE3 3.9Å; Y74-W283 HydrophobicContact CE2-CE3 3.9Å; Y74-W283 HydrophobicContact CE2-CZ3 4.18Å; Y74-W283 HydrophobicContact CG-CE3 4.18Å; Y74-W283 AromaticContact CG-CZ3 3.78Å; Y74-W283 HydrophobicContact CG-CZ3 3.78Å; Y74-W284 AromaticContact CD1-CE3 3.85Å; Y74-W284 HydrophobicContact CD1-CE3 3.85Å; Y74-W284 AromaticContact CD1-CZ3 3.8Å; Y74-W284 HydrophobicContact CD1-CZ3 3.8Å; Y74-W284 HydrophobicContact CD2-CE3 4.49Å; Y74-W284 HydrophobicContact CE1-CD2 4.23Å; Y74-W284 AromaticContact CE1-CE3 3.27Å; Y74-W284 HydrophobicContact CE1-CE3 3.27Å; Y74-W284 AromaticContact CE1-CZ3 3.46Å; Y74-W284 HydrophobicContact CE1-CZ3 3.46Å; Y74-W284 VanDerWaalsContact CE1-CZ3 3.46Å; Y74-W284 HydrophobicContact CE2-CB 4.23Å; Y74-W284 AromaticContact CE2-CE3 3.99Å; Y74-W284 HydrophobicContact CE2-CE3 3.99Å; Y74-W284 HydrophobicContact CG-CE3 4.43Å; Y74-W284 AromaticContact CZ-CD2 4Å; Y74-W284 AromaticContact CZ-CE3 3.35Å
75G97.9Very high98.3Very high19 Ų1961.7 Ų61.720%0.19631%0.311CS..Hα-helixtrans87.6-140.3156.400000115.5E78 K79G75-E78 PolarHBondContact N-OE2 2.84Å; G75-K79 WeakPolarHBondContact O-CG 3.08Å
76T98.6Very high98.3Very high19 Ų1963.9 Ų63.912%0.11732%0.324CS..Hα-helixtrans-79.5-33178.9610000111.4K79 A80 N276 D280T76-K79 PolarHBondContact O-N 3.41Å; T76-A80 PolarHBondContact O-N 2.99Å; T76-N276 PolarHBondContact OG1-N 3.16Å; T76-N276 PolarHBondContact OG1-O 3.42Å; T76-D280 WeakPolarHBondContact CB-OD1 3.37Å; T76-D280 WeakPolarHBondContact CG2-OD1 3.48Å; T76-D280 VanDerWaalsContact N-CG 3.32Å; T76-D280 PolarHBondContact N-OD1 3.38Å; T76-D280 PolarHBondContact N-OD2 3.02Å; T76-D280 VanDerWaalsContact N-OD2 3.09Å; T76-D280 PolarHBondContact OG1-OD1 2.75Å; T76-D280 PolarHBondContact OG1-OD2 2.68Å; T76-D280 VanDerWaalsContact OG1-OD2 3.08Å
77L98.6Very high98.3Very high90 Ų9063.5 Ų63.547%0.47132%0.319SS..Hα-helixtrans-67.9-36174-176.260000112.6A80 W81 D280L77-A80 PolarHBondContact O-N 3.22Å; L77-W81 PolarHBondContact O-N 3.34Å; L77-D280 PolarHBondContact N-OD2 3.5Å
78E98.6Very high98.3Very high52 Ų5260.1 Ų60.124%0.24330%0.303CS..Hα-helixtrans-57.7-46.9170.9-173.3-162.2165.200111.6V68 Q73 Y74 G75 A80 W81 H82V68-E78 HydrophobicContact CG1-CG 4.1Å; Q73-E78 HydrophobicContact CG-CB 4.02Å; Y74-E78 VanDerWaalsContact CA-OE2 3.26Å; Y74-E78 WeakPolarHBondContact CA-OE2 3.1Å; Y74-E78 PolarHBondContact O-N 3.32Å; G75-E78 PolarHBondContact N-OE2 2.84Å; E78-A80 PolarHBondContact O-N 2.85Å; E78-W81 WeakPolarHBondContact O-CB 3.26Å; E78-W81 PolarHBondContact O-N 3.46Å; E78-W81 VanDerWaalsContact O-N 3.16Å; E78-H82 PolarHBondContact O-CD2 3.22Å; E78-H82 VanDerWaalsContact O-CD2 3.26Å; E78-H82 PolarHBondContact O-N 3.02Å
79K98.5Very high98.4Very high135 Ų13561.9 Ų61.959%0.58731%0.312SS*.Hα-helixtrans-63-40.1176.3-66.5167.5-171.8170.70112.2G75 T76 W81 H82 A83G75-K79 WeakPolarHBondContact O-CG 3.08Å; T76-K79 PolarHBondContact O-N 3.41Å; K79-W81 VanDerWaalsContact C-N 3.3Å; K79-W81 PolarHBondContact O-N 3.18Å; K79-H82 PolarHBondContact O-N 3.13Å; K79-A83 PolarHBondContact O-N 3.43Å
80A98.6Very high98.4Very high6 Ų659.7 Ų59.75%0.0530%0.299CS..Hα-helixtrans-63.4-34.3174.500000112.5T76 L77 E78 A83 F84 A275T76-A80 PolarHBondContact O-N 2.99Å; L77-A80 PolarHBondContact O-N 3.22Å; E78-A80 PolarHBondContact O-N 2.85Å; A80-A83 WeakPolarHBondContact O-CB 3.43Å; A80-F84 WeakPolarHBondContact O-CD2 3.42Å; A80-A275 HydrophobicContact CB-CB 4.07Å
81W98.6Very high98.5Very high113 Ų11352 Ų5243%0.42827%0.266SS..Hα-helixtrans-68.6-48171.4-159.8-20.4000111.1V68 Q73 L77 E78 K79 A83 F84 M85V68-W81 HydrophobicContact CG1-CD2 4.41Å; V68-W81 HydrophobicContact CG1-CE3 4.38Å; V68-W81 HydrophobicContact CG2-CD2 3.7Å; V68-W81 HydrophobicContact CG2-CE3 4.12Å; V68-W81 HydrophobicContact CG2-CG 4.03Å; V68-W81 HydrophobicContact CG2-CH2 4.45Å; V68-W81 HydrophobicContact CG2-CZ2 4.06Å; V68-W81 HydrophobicContact CG2-CZ3 4.47Å; Q73-W81 HydrophobicContact CG-CE3 4.23Å; L77-W81 PolarHBondContact O-N 3.34Å; E78-W81 WeakPolarHBondContact O-CB 3.26Å; E78-W81 PolarHBondContact O-N 3.46Å; E78-W81 VanDerWaalsContact O-N 3.16Å; K79-W81 VanDerWaalsContact C-N 3.3Å; K79-W81 PolarHBondContact O-N 3.18Å; W81-A83 PolarHBondContact O-N 3.37Å; W81-A83 VanDerWaalsContact O-N 3.14Å; W81-F84 WeakPolarHBondContact O-CB 3.36Å; W81-F84 PolarHBondContact O-N 2.78Å; W81-M85 HydrophobicContact CG-CE 4.45Å; W81-M85 VanDerWaalsContact O-SD 3.4Å
82H98.8Very high98.5Very high26 Ų2650.9 Ų50.912%0.1225%0.253CS..Hα-helixtrans-59.6-24.7177.2-80.5-61.3000114.9R65 V68 E78 K79 F84 M85 Q86R65-H82 PolarHBondContact O-CE1 3.12Å; V68-H82 WeakPolarHBondContact CG1-NE2 3.49Å; E78-H82 PolarHBondContact O-CD2 3.22Å; E78-H82 VanDerWaalsContact O-CD2 3.26Å; E78-H82 PolarHBondContact O-N 3.02Å; K79-H82 PolarHBondContact O-N 3.13Å; H82-F84 VanDerWaalsContact C-N 3.26Å; H82-F84 PolarHBondContact O-N 3.43Å; H82-M85 PolarHBondContact O-N 2.82Å; H82-Q86 PolarHBondContact O-N 3.12Å
83A98.6Very high98.6Very high4 Ų450.6 Ų50.63%0.03324%0.24CC..Hα-helixtrans-60.2-34.4174.100000112.5K79 A80 W81 Q86 A87 L268 T271K79-A83 PolarHBondContact O-N 3.43Å; A80-A83 WeakPolarHBondContact O-CB 3.43Å; W81-A83 PolarHBondContact O-N 3.37Å; W81-A83 VanDerWaalsContact O-N 3.14Å; A83-Q86 PolarHBondContact O-N 2.94Å; A83-A87 WeakPolarHBondContact O-CB 3.13Å; A83-A87 PolarHBondContact O-N 3.06Å; A83-L268 HydrophobicContact CB-CD1 3.67Å; A83-T271 HydrophobicContact CB-CG2 3.8Å
84F98.8Very high98.6Very high97 Ų9748.4 Ų48.443%0.42523%0.23SC..Hα-helixtrans-64.6-43.9176.2-72.9-92.7000111.7W60 A80 W81 H82 A87 A88 L268 I272W60-F84 HydrophobicContact CH2-CB 4.22Å; A80-F84 WeakPolarHBondContact O-CD2 3.42Å; W81-F84 WeakPolarHBondContact O-CB 3.36Å; W81-F84 PolarHBondContact O-N 2.78Å; H82-F84 VanDerWaalsContact C-N 3.26Å; H82-F84 PolarHBondContact O-N 3.43Å; F84-A87 PolarHBondContact O-N 2.99Å; F84-A88 PolarHBondContact O-N 2.87Å; F84-L268 HydrophobicContact CD1-CD1 4.17Å; F84-L268 HydrophobicContact CD1-CD2 4.36Å; F84-L268 HydrophobicContact CD2-CD1 4.11Å; F84-L268 HydrophobicContact CE1-CD1 4.44Å; F84-L268 HydrophobicContact CE1-CD2 4.48Å; F84-L268 HydrophobicContact CE2-CD1 4.38Å; F84-L268 HydrophobicContact CG-CD1 4.01Å; F84-I272 HydrophobicContact CE1-CD1 4.34Å; F84-I272 HydrophobicContact CE2-CD1 3.63Å; F84-I272 HydrophobicContact CE2-CG1 4.04Å; F84-I272 HydrophobicContact CZ-CD1 3.52Å; F84-I272 HydrophobicContact CZ-CG1 4.4Å
85M98.7Very high98.6Very high0 Ų046.9 Ų46.90%023%0.225CC..Hα-helixtrans-62.7-43.4174.9-70.577.995.700110.9W60 S61 W64 R65 V68 W81 H82 A87 A88 D89W60-M85 HydrophobicContact CH2-CG 4.34Å; W60-M85 HydrophobicContact CH2-SD 4.24Å; W60-M85 HydrophobicContact CZ3-CG 4.08Å; S61-M85 WeakPolarHBondContact OG-CB 3.49Å; S61-M85 PolarHBondContact OG-O 3.47Å; S61-M85 VanDerWaalsContact OG-O 3.13Å; W64-M85 HydrophobicContact CB-CE 4.28Å; W64-M85 HydrophobicContact CB-CG 4.04Å; W64-M85 HydrophobicContact CB-SD 4.12Å; R65-M85 HydrophobicContact CB-CB 4.45Å; R65-M85 HydrophobicContact CB-CG 4.32Å; V68-M85 HydrophobicContact CB-CE 4.24Å; V68-M85 HydrophobicContact CG2-CE 3.81Å; W81-M85 HydrophobicContact CG-CE 4.45Å; W81-M85 VanDerWaalsContact O-SD 3.4Å; H82-M85 PolarHBondContact O-N 2.82Å; M85-A87 VanDerWaalsContact C-N 3.33Å; M85-A87 PolarHBondContact O-N 3.34Å; M85-A88 PolarHBondContact O-N 3.47Å; M85-D89 VanDerWaalsContact O-CG 3.25Å; M85-D89 PolarHBondContact O-N 2.89Å
86Q98.6Very high98.7Very high108 Ų10848.6 Ų48.651%0.50523%0.229SC..Hα-helixtrans-64.6-33.7175.9-169.1179.919.200113.4H82 A83 R90H82-Q86 PolarHBondContact O-N 3.12Å; A83-Q86 PolarHBondContact O-N 2.94Å; Q86-R90 PolarHBondContact O-N 3Å; Q86-R90 VanDerWaalsContact O-N 3.14Å
87A98.7Very high98.6Very high12 Ų1252 Ų5210%0.09924%0.243CC..Hα-helixtrans-69-39.6173.600000111.7A83 F84 M85 R90 L91 L264 L268A83-A87 WeakPolarHBondContact O-CB 3.13Å; A83-A87 PolarHBondContact O-N 3.06Å; F84-A87 PolarHBondContact O-N 2.99Å; M85-A87 VanDerWaalsContact C-N 3.33Å; M85-A87 PolarHBondContact O-N 3.34Å; A87-R90 PolarHBondContact O-N 3.01Å; A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 PolarHBondContact O-N 3.47Å; A87-L264 HydrophobicContact CB-CD1 3.92Å; A87-L268 HydrophobicContact CB-CB 4.33Å; A87-L268 HydrophobicContact CB-CD1 4.48Å; A87-L268 HydrophobicContact CB-CD2 4.01Å
88A98.8Very high98.6Very high8 Ų847.8 Ų47.87%0.06622%0.221CC..Hα-helixtrans-66.2-39.7174.200000112.5L57 W60 F84 M85 L91 S92L57-A88 HydrophobicContact CB-CB 4.48Å; L57-A88 HydrophobicContact CD2-CB 4.21Å; W60-A88 HydrophobicContact CE3-CB 3.74Å; W60-A88 HydrophobicContact CZ3-CB 3.65Å; F84-A88 PolarHBondContact O-N 2.87Å; M85-A88 PolarHBondContact O-N 3.47Å; A88-L91 PolarHBondContact O-N 3.42Å; A88-S92 WeakPolarHBondContact O-CB 3.5Å; A88-S92 PolarHBondContact O-N 3.12Å
89D98.8Very high98.6Very high41 Ų4148 Ų4822%0.21922%0.22CC..Hα-helixtrans-58-51.4173-66.2-36000110.9S61 R65 M85 L91 S92 E93S61-D89 WeakPolarHBondContact CB-OD1 3.37Å; S61-D89 PolarHBondContact OG-OD1 2.97Å; S61-D89 PolarHBondContact OG-OD2 3.28Å; R65-D89 IonicContact CZ-OD2 3.33Å; R65-D89 IonicContact NE-OD2 2.71Å; R65-D89 IonicContact NH2-OD2 2.93Å; R65-D89 PolarHBondContact NH2-OD2 3.41Å; M85-D89 VanDerWaalsContact O-CG 3.25Å; M85-D89 PolarHBondContact O-N 2.89Å; D89-L91 VanDerWaalsContact C-N 3.32Å; D89-L91 PolarHBondContact O-N 3.13Å; D89-S92 VanDerWaalsContact O-CB 3.25Å; D89-S92 WeakPolarHBondContact O-CB 3.46Å; D89-S92 PolarHBondContact O-N 3.22Å; D89-E93 WeakPolarHBondContact O-CG 3.37Å; D89-E93 PolarHBondContact O-N 3.3Å
90R98.6Very high98.6Very high68 Ų6846 Ų4626%0.25721%0.212SC..Hα-helixtrans-65.5-31.9178.7-75.6170.861-178.4-2113.4Q86 A87 L94 L264 D267Q86-R90 PolarHBondContact O-N 3Å; Q86-R90 VanDerWaalsContact O-N 3.14Å; A87-R90 PolarHBondContact O-N 3.01Å; R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.33Å; R90-L264 HydrophobicContact CB-CB 4.26Å; R90-L264 HydrophobicContact CB-CD2 4.27Å; R90-D267 IonicContact CZ-OD2 2.91Å; R90-D267 VanDerWaalsContact CZ-OD2 3.29Å; R90-D267 IonicContact NH1-OD2 3.65Å; R90-D267 PolarHBondContact NH1-OD2 3.11Å; R90-D267 IonicContact NH2-OD2 3.78Å; R90-D267 PolarHBondContact NH2-OD2 2.79Å
91L98.8Very high98.6Very high20 Ų2050.3 Ų50.311%0.10523%0.227CC..Hα-helixtrans-70.5-41.3173.8-174.759.9000110.9Y53 L57 A87 A88 D89 E93 L94 H95 F261 L264Y53-L91 HydrophobicContact CE1-CD2 4.36Å; L57-L91 HydrophobicContact CD1-CB 3.99Å; L57-L91 HydrophobicContact CD1-CD2 3.82Å; L57-L91 HydrophobicContact CD1-CG 3.7Å; A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 PolarHBondContact O-N 3.47Å; A88-L91 PolarHBondContact O-N 3.42Å; D89-L91 VanDerWaalsContact C-N 3.32Å; D89-L91 PolarHBondContact O-N 3.13Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-E93 PolarHBondContact O-N 3.27Å; L91-L94 PolarHBondContact O-N 3.25Å; L91-H95 PolarHBondContact O-CD2 3.2Å; L91-H95 VanDerWaalsContact O-CD2 3.28Å; L91-H95 PolarHBondContact O-N 2.71Å; L91-H95 VanDerWaalsContact O-N 3.08Å; L91-F261 HydrophobicContact CD1-CD2 3.95Å; L91-F261 HydrophobicContact CD1-CE2 3.76Å; L91-L264 HydrophobicContact CB-CD2 4.31Å
92S98.8Very high98.6Very high10 Ų1044.9 Ų44.97%0.0721%0.207CC..Hα-helixtrans-54.3-48.5172.1-177.90000111.9A54 A88 D89 L94 H95 M96A54-S92 VanDerWaalsContact C-OG 3.28Å; A54-S92 WeakPolarHBondContact CB-O 3.46Å; A54-S92 WeakPolarHBondContact O-CB 3.38Å; A54-S92 PolarHBondContact O-OG 2.89Å; A88-S92 WeakPolarHBondContact O-CB 3.5Å; A88-S92 PolarHBondContact O-N 3.12Å; D89-S92 VanDerWaalsContact O-CB 3.25Å; D89-S92 WeakPolarHBondContact O-CB 3.46Å; D89-S92 PolarHBondContact O-N 3.22Å; S92-L94 PolarHBondContact O-N 3.31Å; S92-H95 PolarHBondContact O-N 3.42Å; S92-M96 PolarHBondContact O-N 2.98Å
93E98.6Very high98.5Very high124 Ų12445 Ų4558%0.57921%0.212SC*.Hα-helixtrans-55.3-46.8175.7-69.5170.5162.500112D89 L91 H95 M96 E97D89-E93 WeakPolarHBondContact O-CG 3.37Å; D89-E93 PolarHBondContact O-N 3.3Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-E93 PolarHBondContact O-N 3.27Å; E93-H95 PolarHBondContact O-N 3.35Å; E93-M96 PolarHBondContact O-N 3.2Å; E93-E97 PolarHBondContact O-N 3.22Å
94L98.6Very high98.4Very high8 Ų845.7 Ų45.74%0.04222%0.22CC..Hα-helixtrans-65.8-33.5-179.8-69.2171.1000113.9R90 L91 S92 L98 L255 K258 S260 F261 L264R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.33Å; L91-L94 PolarHBondContact O-N 3.25Å; S92-L94 PolarHBondContact O-N 3.31Å; L94-L98 PolarHBondContact O-N 2.96Å; L94-L255 HydrophobicContact CB-CD2 4.22Å; L94-K258 HydrophobicContact CD2-CD 3.96Å; L94-S260 VanDerWaalsContact CD2-OG 3.3Å; L94-S260 WeakPolarHBondContact CD2-OG 3.36Å; L94-F261 HydrophobicContact CD1-CB 3.98Å; L94-F261 HydrophobicContact CD1-CD2 4.29Å; L94-L264 HydrophobicContact CD1-CD2 3.75Å
95H98.8Very high98.4Very high24 Ų2446.2 Ų46.211%0.11122%0.223CC..Hα-helixtrans-77.9-31.2174.2-78.6-88.1000112.1E50 Y53 A54 L91 S92 E93 L98 R99 L255E50-H95 IonicContact OE2-CE1 3.67Å; E50-H95 PolarHBondContact OE2-CE1 3.06Å; E50-H95 IonicContact OE2-CG 3.08Å; E50-H95 IonicContact OE2-ND1 3.93Å; E50-H95 PolarHBondContact OE2-ND1 3.1Å; Y53-H95 AromaticContact CD1-CD2 3.83Å; Y53-H95 AromaticContact CD1-CE1 3.79Å; Y53-H95 AromaticContact CD1-CG 3.87Å; Y53-H95 AromaticContact CD1-ND1 3.84Å; Y53-H95 AromaticContact CD1-NE2 3.8Å; Y53-H95 AromaticContact CE1-CD2 3.77Å; Y53-H95 AromaticContact CE1-CE1 3.88Å; Y53-H95 AromaticContact CE1-NE2 3.51Å; A54-H95 HydrophobicContact CB-CB 3.92Å; L91-H95 PolarHBondContact O-CD2 3.2Å; L91-H95 VanDerWaalsContact O-CD2 3.28Å; L91-H95 PolarHBondContact O-N 2.71Å; L91-H95 VanDerWaalsContact O-N 3.08Å; S92-H95 PolarHBondContact O-N 3.42Å; E93-H95 PolarHBondContact O-N 3.35Å; H95-L98 VanDerWaalsContact O-CB 3.31Å; H95-L98 WeakPolarHBondContact O-CB 3.38Å; H95-L98 PolarHBondContact O-N 3.39Å; H95-R99 PolarHBondContact O-N 3.22Å; H95-L255 WeakPolarHBondContact NE2-CD1 3.29Å
96M98.6Very high98.4Very high56 Ų5646.3 Ų46.328%0.27622%0.224SC..Hα-helixtrans-66-45.6170.3-78.2-60.2-60.800112.2K51 A54 S92 E93 L98 R99 E100K51-M96 HydrophobicContact CB-SD 4.49Å; K51-M96 HydrophobicContact CG-SD 4.05Å; A54-M96 HydrophobicContact CB-CG 3.76Å; A54-M96 HydrophobicContact CB-SD 4.07Å; S92-M96 PolarHBondContact O-N 2.98Å; E93-M96 PolarHBondContact O-N 3.2Å; M96-L98 PolarHBondContact O-N 2.95Å; M96-R99 PolarHBondContact O-N 3.27Å; M96-E100 PolarHBondContact O-N 3.05Å
97E98.3Very high98.4Very high90 Ų9041.3 Ų41.342%0.42120%0.201SC..Hα-helixtrans-50.7-45.3170.2-74.5-175.9170.100111E93 E100 R101 K258E93-E97 PolarHBondContact O-N 3.22Å; E97-E100 PolarHBondContact O-N 3.19Å; E97-R101 PolarHBondContact O-N 3.3Å; E97-K258 IonicContact OE2-NZ 2.62Å; E97-K258 PolarHBondContact OE2-NZ 2.82Å
98L98.1Very high98.4Very high2 Ų246.7 Ų46.71%0.0122%0.224CC..Hα-helixtrans-62-47.8-177.2-132.4173.9000111.4L94 H95 M96 E100 R101 L102 H252 L253 L255L94-L98 PolarHBondContact O-N 2.96Å; H95-L98 VanDerWaalsContact O-CB 3.31Å; H95-L98 WeakPolarHBondContact O-CB 3.38Å; H95-L98 PolarHBondContact O-N 3.39Å; M96-L98 PolarHBondContact O-N 2.95Å; L98-E100 VanDerWaalsContact C-N 3.3Å; L98-E100 PolarHBondContact O-N 2.95Å; L98-R101 PolarHBondContact O-N 3.44Å; L98-L102 HydrophobicContact CD2-CD1 3.81Å; L98-L102 HydrophobicContact CD2-CG 3.97Å; L98-L102 WeakPolarHBondContact O-CG 3.38Å; L98-L102 PolarHBondContact O-N 3.49Å; L98-H252 HydrophobicContact CD2-CB 4.45Å; L98-H252 WeakPolarHBondContact CD2-O 3.09Å; L98-H252 VanDerWaalsContact CG-O 3.25Å; L98-H252 WeakPolarHBondContact CG-O 3.49Å; L98-L253 HydrophobicContact CD1-CD2 4.49Å; L98-L253 HydrophobicContact CD2-CD2 3.76Å; L98-L253 HydrophobicContact CD2-CG 4.23Å; L98-L255 HydrophobicContact CD1-CD1 4.5Å; L98-L255 HydrophobicContact CD1-CD2 4.11Å; L98-L255 HydrophobicContact CD1-CG 4.16Å
99R98.4Very high98.4Very high55 Ų5550.5 Ų50.521%0.20824%0.239CC..Hα-helixtrans-60.2-36.3173.4164.8-97.2170.9-95.132.4112.6A47 E50 K51 H95 M96 A103A47-R99 HydrophobicContact CB-CB 4.37Å; A47-R99 HydrophobicContact CB-CG 4.06Å; A47-R99 WeakPolarHBondContact O-CB 3.1Å; A47-R99 VanDerWaalsContact O-CG 3.24Å; A47-R99 WeakPolarHBondContact O-CG 3.5Å; E50-R99 HydrophobicContact CB-CB 4.06Å; K51-R99 HydrophobicContact CB-CG 4.1Å; H95-R99 PolarHBondContact O-N 3.22Å; M96-R99 PolarHBondContact O-N 3.27Å; R99-A103 WeakPolarHBondContact O-CB 3.48Å; R99-A103 PolarHBondContact O-N 3.12Å
100E98.3Very high98.4Very high93 Ų9348.7 Ų48.744%0.43523%0.23SC..Hα-helixtrans-71.6-34.7178.8-65.2-55.7157.900112.3M96 E97 L98 G104M96-E100 PolarHBondContact O-N 3.05Å; E97-E100 PolarHBondContact O-N 3.19Å; L98-E100 VanDerWaalsContact C-N 3.3Å; L98-E100 PolarHBondContact O-N 2.95Å; E100-G104 VanDerWaalsContact O-CA 3.24Å; E100-G104 WeakPolarHBondContact O-CA 3.36Å; E100-G104 PolarHBondContact O-N 2.96Å
101R98.3Very high98.4Very high97 Ų9751 Ų5137%0.36624%0.238SC..Iπ-helixtrans-68.1-50.4172.6-62.7-166.6-167.1-150.91.8112.9E97 L98 A103 G104 E105 D106 H252E97-R101 PolarHBondContact O-N 3.3Å; L98-R101 PolarHBondContact O-N 3.44Å; R101-A103 PolarHBondContact O-N 3.08Å; R101-G104 CarbonylContact O-C 3.49Å; R101-G104 PolarHBondContact O-N 2.63Å; R101-E105 PolarHBondContact O-N 2.91Å; R101-E105 VanDerWaalsContact O-N 3.07Å; R101-D106 PolarHBondContact O-N 3.09Å; R101-H252 HydrophobicContact CB-CB 4.39Å; R101-H252 WeakPolarHBondContact CD-CD2 3.34Å; R101-H252 WeakPolarHBondContact CD-NE2 3.32Å; R101-H252 PolarHBondContact NH1-CD2 2.88Å; R101-H252 PolarHBondContact NH1-NE2 3.37Å
102L98.4Very high98.4Very high0 Ų053.8 Ų53.80%025%0.253CS..Iπ-helixtrans-60.4-44.8-177-69.2175.5000113F43 R46 A47 E50 L98 S107 I249 L253F43-L102 HydrophobicContact CD1-CD2 4.26Å; R46-L102 HydrophobicContact CG-CD1 3.97Å; A47-L102 HydrophobicContact CB-CB 3.93Å; A47-L102 HydrophobicContact CB-CD1 4.38Å; E50-L102 HydrophobicContact CG-CD1 4.38Å; L98-L102 HydrophobicContact CD2-CD1 3.81Å; L98-L102 HydrophobicContact CD2-CG 3.97Å; L98-L102 WeakPolarHBondContact O-CG 3.38Å; L98-L102 PolarHBondContact O-N 3.49Å; L102-S107 PolarHBondContact O-N 3.07Å; L102-S107 PolarHBondContact O-OG 2.93Å; L102-I249 HydrophobicContact CD2-CB 4.45Å; L102-I249 HydrophobicContact CD2-CG1 4.28Å; L102-I249 HydrophobicContact CD2-CG2 3.85Å; L102-L253 HydrophobicContact CD1-CD2 4.15Å
103A97.4Very high98.3Very high28 Ų2856.2 Ų56.223%0.23126%0.261CS..Iπ-helixtrans-94.2-14.7-176.400000114.2Q44 A47 R99 R101 S107Q44-A103 HydrophobicContact CG-CB 4.17Å; A47-A103 HydrophobicContact CB-CB 3.84Å; R99-A103 WeakPolarHBondContact O-CB 3.48Å; R99-A103 PolarHBondContact O-N 3.12Å; R101-A103 PolarHBondContact O-N 3.08Å; A103-S107 WeakPolarHBondContact CA-OG 3.27Å; A103-S107 WeakPolarHBondContact O-CB 3.45Å
104G97.1Very high98.3Very high18 Ų1851.3 Ų51.319%0.18624%0.238CC..Iπ-helixtrans-99.1-99.9168.400000110.6E100 R101 D106 S107 E108E100-G104 VanDerWaalsContact O-CA 3.24Å; E100-G104 WeakPolarHBondContact O-CA 3.36Å; E100-G104 PolarHBondContact O-N 2.96Å; R101-G104 CarbonylContact O-C 3.49Å; R101-G104 PolarHBondContact O-N 2.63Å; G104-D106 PolarHBondContact O-N 2.68Å; G104-S107 CarbonylContact O-C 3.54Å; G104-S107 WeakPolarHBondContact O-CA 3.41Å; G104-S107 WeakPolarHBondContact O-CB 3.39Å; G104-S107 PolarHBondContact O-N 3.11Å; G104-E108 WeakPolarHBondContact O-CG 3.42Å; G104-E108 PolarHBondContact O-N 2.97Å
105E97.6Very high98.3Very high108 Ų10857.2 Ų57.251%0.50526%0.264SS..Iπ-helixtrans-40.6-57.7-172.9-173.8174.1-170.100114.9R101 S107 E108 K109 H252R101-E105 PolarHBondContact O-N 2.91Å; R101-E105 VanDerWaalsContact O-N 3.07Å; E105-S107 PolarHBondContact O-N 2.92Å; E105-E108 PolarHBondContact O-N 2.71Å; E105-K109 VanDerWaalsContact O-CB 3.26Å; E105-K109 WeakPolarHBondContact O-CB 3.5Å; E105-K109 PolarHBondContact O-N 3.13Å; E105-H252 IonicContact OE2-CE1 2.77Å; E105-H252 IonicContact OE2-NE2 3.51Å
106D98.4Very high98.3Very high3 Ų361.6 Ų61.62%0.01629%0.288CS..Hα-helixtrans-68.2-36.9-177.6-62.9-47.4000111.8R101 G104 V110 I249 H252R101-D106 PolarHBondContact O-N 3.09Å; G104-D106 PolarHBondContact O-N 2.68Å; D106-V110 WeakPolarHBondContact O-CG2 3.49Å; D106-V110 PolarHBondContact O-N 2.89Å; D106-I249 HydrophobicContact CB-CD1 4.24Å; D106-I249 HydrophobicContact CB-CG1 3.82Å; D106-H252 IonicContact OD1-CE1 2.7Å; D106-H252 PolarHBondContact OD1-CE1 3.39Å; D106-H252 IonicContact OD1-ND1 2.62Å; D106-H252 PolarHBondContact OD1-ND1 3.01Å; D106-H252 IonicContact OD2-CE1 2.58Å; D106-H252 IonicContact OD2-CG 2.63Å; D106-H252 IonicContact OD2-ND1 3.24Å; D106-H252 PolarHBondContact OD2-ND1 3.05Å
107S98.6Very high98.2Very high3 Ų360.2 Ų60.22%0.02129%0.285CS..Hα-helixtrans-70.6-39.5177.9-75.60000112.8L102 A103 G104 E105 R111L102-S107 PolarHBondContact O-N 3.07Å; L102-S107 PolarHBondContact O-OG 2.93Å; A103-S107 WeakPolarHBondContact CA-OG 3.27Å; A103-S107 WeakPolarHBondContact O-CB 3.45Å; G104-S107 CarbonylContact O-C 3.54Å; G104-S107 WeakPolarHBondContact O-CA 3.41Å; G104-S107 WeakPolarHBondContact O-CB 3.39Å; G104-S107 PolarHBondContact O-N 3.11Å; E105-S107 PolarHBondContact O-N 2.92Å; S107-R111 WeakPolarHBondContact O-CD 3.31Å; S107-R111 WeakPolarHBondContact O-CG 3.09Å; S107-R111 PolarHBondContact O-N 3.38Å; S107-R111 VanDerWaalsContact O-N 3.13Å
108E98.4Very high98.2Very high125 Ų12557 Ų5758%0.58427%0.27SS*.Hα-helixtrans-70.7-42.8177.5-70.9-174.3153.700110.7G104 E105 V110 R111 D112G104-E108 WeakPolarHBondContact O-CG 3.42Å; G104-E108 PolarHBondContact O-N 2.97Å; E105-E108 PolarHBondContact O-N 2.71Å; E108-V110 VanDerWaalsContact C-N 3.28Å; E108-V110 PolarHBondContact O-N 3.27Å; E108-R111 PolarHBondContact O-N 3.42Å; E108-D112 PolarHBondContact O-N 3.04Å
109K98.7Very high98.2Very high88 Ų8860.7 Ų60.738%0.38329%0.287SS..Hα-helixtrans-52.8-43173.6-173.4173.5-173174.40112.6E105 W113 F241 V245 D248E105-K109 VanDerWaalsContact O-CB 3.26Å; E105-K109 WeakPolarHBondContact O-CB 3.5Å; E105-K109 PolarHBondContact O-N 3.13Å; K109-W113 WeakPolarHBondContact O-CB 3.41Å; K109-W113 PolarHBondContact O-N 2.86Å; K109-F241 HydrophobicContact CG-CE2 4.21Å; K109-F241 HydrophobicContact CG-CZ 4.28Å; K109-F241 WeakPolarHBondContact O-CZ 3.49Å; K109-V245 HydrophobicContact CD-CG2 4.25Å; K109-V245 HydrophobicContact CG-CG2 4.42Å; K109-D248 IonicContact NZ-OD1 3.49Å; K109-D248 IonicContact NZ-OD2 2.69Å; K109-D248 PolarHBondContact NZ-OD2 3.17Å
110V98.8Very high98Very high3 Ų365.8 Ų65.82%0.01831%0.311CS..Hα-helixtrans-71.4-38.7175.5177.20000112.4C36 L39 V40 D106 E108 Q114 F241 V245C36-V110 HydrophobicContact CB-CG1 3.84Å; L39-V110 HydrophobicContact CD2-CG2 4.01Å; V40-V110 HydrophobicContact CG2-CB 3.69Å; V40-V110 HydrophobicContact CG2-CG1 3.59Å; V40-V110 HydrophobicContact CG2-CG2 4.43Å; D106-V110 WeakPolarHBondContact O-CG2 3.49Å; D106-V110 PolarHBondContact O-N 2.89Å; E108-V110 VanDerWaalsContact C-N 3.28Å; E108-V110 PolarHBondContact O-N 3.27Å; V110-Q114 VanDerWaalsContact O-CB 3.24Å; V110-Q114 WeakPolarHBondContact O-CB 3.41Å; V110-Q114 PolarHBondContact O-N 3.02Å; V110-F241 HydrophobicContact CB-CE1 4.45Å; V110-F241 HydrophobicContact CG2-CE1 4.09Å; V110-F241 HydrophobicContact CG2-CZ 4.19Å; V110-V245 HydrophobicContact CG2-CG1 3.79Å; V110-V245 HydrophobicContact CG2-CG2 4.15Å
111R98.6Very high97.8Very high115 Ų11564.4 Ų64.443%0.43430%0.304SS..Hα-helixtrans-67-42.8179.5-72.6164.8-171.5-842.1112.5V40 Q44 S107 E108 Q114 K115V40-R111 VanDerWaalsContact CG1-NH2 3.31Å; Q44-R111 VanDerWaalsContact NE2-NH2 3.18Å; S107-R111 WeakPolarHBondContact O-CD 3.31Å; S107-R111 WeakPolarHBondContact O-CG 3.09Å; S107-R111 PolarHBondContact O-N 3.38Å; S107-R111 VanDerWaalsContact O-N 3.13Å; E108-R111 PolarHBondContact O-N 3.42Å; R111-Q114 PolarHBondContact O-N 3.13Å; R111-K115 VanDerWaalsContact O-CB 3.27Å; R111-K115 WeakPolarHBondContact O-CB 3.38Å; R111-K115 PolarHBondContact O-N 3.15Å
112D98.6Very high97.3Very high80 Ų8069.1 Ų69.143%0.42833%0.333SS..Hα-helixtrans-69.9-42.1177.1-85-34.2000111.7E108 Q114 K115 D116E108-D112 PolarHBondContact O-N 3.04Å; D112-Q114 VanDerWaalsContact C-N 3.34Å; D112-Q114 PolarHBondContact O-N 2.91Å; D112-K115 WeakPolarHBondContact O-CB 3.46Å; D112-K115 PolarHBondContact O-N 3.11Å; D112-K115 IonicContact OD1-NZ 3.71Å; D112-K115 PolarHBondContact OD1-NZ 2.89Å; D112-D116 PolarHBondContact O-N 3.46Å
113W98.7Very high96.7Very high60 Ų6078 Ų7823%0.22738%0.376CS..Hα-helixtrans-60.5-42.5173-175.588.4000112.3K109 K115 D116 A117 F118 R238 F241K109-W113 WeakPolarHBondContact O-CB 3.41Å; K109-W113 PolarHBondContact O-N 2.86Å; W113-K115 VanDerWaalsContact C-N 3.33Å; W113-K115 PolarHBondContact O-N 2.94Å; W113-D116 PolarHBondContact O-N 2.65Å; W113-A117 HydrophobicContact CD2-CB 4.3Å; W113-A117 HydrophobicContact CE3-CB 4.25Å; W113-A117 HydrophobicContact CH2-CB 3.86Å; W113-A117 HydrophobicContact CZ2-CB 3.97Å; W113-A117 HydrophobicContact CZ3-CB 4.04Å; W113-A117 WeakPolarHBondContact O-CB 3.47Å; W113-A117 PolarHBondContact O-N 3Å; W113-F118 HydrophobicContact CH2-CE2 4.27Å; W113-F118 AromaticContact CZ3-CE2 3.86Å; W113-F118 HydrophobicContact CZ3-CE2 3.86Å; W113-R238 HydrophobicContact CH2-CB 3.67Å; W113-R238 HydrophobicContact CH2-CG 3.65Å; W113-R238 HydrophobicContact CZ2-CB 4.26Å; W113-R238 HydrophobicContact CZ3-CG 4Å; W113-F241 HydrophobicContact CB-CD1 4.21Å; W113-F241 HydrophobicContact CB-CD2 4.27Å; W113-F241 HydrophobicContact CB-CE1 3.62Å; W113-F241 HydrophobicContact CB-CE2 3.68Å; W113-F241 HydrophobicContact CB-CZ 3.33Å; W113-F241 AromaticContact CD1-CD2 3.59Å; W113-F241 AromaticContact CD1-CE2 3.84Å; W113-F241 AromaticContact CD1-CG 3.76Å; W113-F241 HydrophobicContact CD2-CB 4.38Å; W113-F241 AromaticContact CD2-CD1 3.4Å; W113-F241 HydrophobicContact CD2-CD1 3.4Å; W113-F241 HydrophobicContact CD2-CD2 4.27Å; W113-F241 AromaticContact CD2-CE1 3.67Å; W113-F241 HydrophobicContact CD2-CE1 3.67Å; W113-F241 HydrophobicContact CD2-CE2 4.49Å; W113-F241 AromaticContact CD2-CG 3.74Å; W113-F241 HydrophobicContact CD2-CG 3.74Å; W113-F241 HydrophobicContact CD2-CZ 4.22Å; W113-F241 AromaticContact CE2-CD1 3.91Å; W113-F241 AromaticContact CE2-CG 3.85Å; W113-F241 AromaticContact CE3-CD1 3.6Å; W113-F241 HydrophobicContact CE3-CD1 3.6Å; W113-F241 AromaticContact CE3-CE1 3.78Å; W113-F241 HydrophobicContact CE3-CE1 3.78Å; W113-F241 HydrophobicContact CE3-CG 4.36Å; W113-F241 AromaticContact CG-CD1 3.64Å; W113-F241 HydrophobicContact CG-CD1 3.64Å; W113-F241 AromaticContact CG-CD2 3.77Å; W113-F241 HydrophobicContact CG-CD2 3.77Å; W113-F241 AromaticContact CG-CE1 3.58Å; W113-F241 HydrophobicContact CG-CE1 3.58Å; W113-F241 AromaticContact CG-CE2 3.7Å; W113-F241 HydrophobicContact CG-CE2 3.7Å; W113-F241 AromaticContact CG-CG 3.74Å; W113-F241 HydrophobicContact CG-CG 3.74Å; W113-F241 AromaticContact CG-CZ 3.62Å; W113-F241 HydrophobicContact CG-CZ 3.62Å; W113-F241 HydrophobicContact CZ2-CB 4.39Å; W113-F241 HydrophobicContact CZ3-CD1 4.28Å; W113-F241 AromaticContact NE1-CG 3.79Å
114Q98.4Very high96.2Very high22 Ų2279 Ų7910%0.10339%0.389CS..Hα-helixtrans-60.9-42.3175.6-178.8-165.555.800111.6H33 C36 N37 V110 R111 D112 A117 F118H33-Q114 PolarHBondContact O-NE2 2.88Å; C36-Q114 HydrophobicContact CB-CB 4.11Å; C36-Q114 HydrophobicContact CB-CG 4.03Å; N37-Q114 PolarHBondContact OD1-NE2 2.68Å; V110-Q114 VanDerWaalsContact O-CB 3.24Å; V110-Q114 WeakPolarHBondContact O-CB 3.41Å; V110-Q114 PolarHBondContact O-N 3.02Å; R111-Q114 PolarHBondContact O-N 3.13Å; D112-Q114 VanDerWaalsContact C-N 3.34Å; D112-Q114 PolarHBondContact O-N 2.91Å; Q114-A117 PolarHBondContact O-N 3.06Å; Q114-F118 HydrophobicContact CG-CD2 4.02Å; Q114-F118 WeakPolarHBondContact O-CB 3.42Å; Q114-F118 WeakPolarHBondContact O-CD2 3.39Å; Q114-F118 PolarHBondContact O-N 2.74Å
115K97.8Very high96Very high132 Ų13280.4 Ų80.457%0.57440%0.404SS*.Hα-helixtrans-65.5-39179.6169.7-179.7137.5-142.50112.6R111 D112 W113R111-K115 VanDerWaalsContact O-CB 3.27Å; R111-K115 WeakPolarHBondContact O-CB 3.38Å; R111-K115 PolarHBondContact O-N 3.15Å; D112-K115 WeakPolarHBondContact O-CB 3.46Å; D112-K115 PolarHBondContact O-N 3.11Å; D112-K115 IonicContact OD1-NZ 3.71Å; D112-K115 PolarHBondContact OD1-NZ 2.89Å; W113-K115 VanDerWaalsContact C-N 3.33Å; W113-K115 PolarHBondContact O-N 2.94Å
116D97.9Very high96Very high116 Ų11676.4 Ų76.462%0.6239%0.385SS*.Hα-helixtrans-80.5-23.4177.8-72.3-0.5000112.9D112 W113 H119D112-D116 PolarHBondContact O-N 3.46Å; W113-D116 PolarHBondContact O-N 2.65Å; D116-H119 PolarHBondContact O-CE1 3.41Å; D116-H119 VanDerWaalsContact O-CE1 3.27Å
117A97.6Very high96Very high27 Ų2782.3 Ų82.322%0.22341%0.407CS..Hα-helixtrans-87.7-24.3179.200000114.7W113 Q114W113-A117 HydrophobicContact CD2-CB 4.3Å; W113-A117 HydrophobicContact CE3-CB 4.25Å; W113-A117 HydrophobicContact CH2-CB 3.86Å; W113-A117 HydrophobicContact CZ2-CB 3.97Å; W113-A117 HydrophobicContact CZ3-CB 4.04Å; W113-A117 WeakPolarHBondContact O-CB 3.47Å; W113-A117 PolarHBondContact O-N 3Å; Q114-A117 PolarHBondContact O-N 3.06Å
118F97.9Very high96Very high23 Ų2384.7 Ų84.710%0.10142%0.418CS..  trans-132.7101.8-169.3-62.8-74.1000113.5I29 H33 W113 Q114 K120 F126I29-F118 HydrophobicContact CG2-CD1 4.38Å; I29-F118 HydrophobicContact CG2-CE1 3.97Å; I29-F118 VanDerWaalsContact O-CE1 3.29Å; I29-F118 WeakPolarHBondContact O-CE1 3.29Å; H33-F118 HydrophobicContact CB-CB 4.49Å; H33-F118 HydrophobicContact CB-CD1 3.95Å; H33-F118 HydrophobicContact CB-CD2 3.8Å; H33-F118 HydrophobicContact CB-CE1 4.04Å; H33-F118 HydrophobicContact CB-CE2 3.9Å; H33-F118 HydrophobicContact CB-CG 3.83Å; H33-F118 HydrophobicContact CB-CZ 4.03Å; H33-F118 AromaticContact CD2-CD2 3.98Å; H33-F118 AromaticContact CD2-CG 3.96Å; H33-F118 VanDerWaalsContact N-CZ 3.32Å; W113-F118 HydrophobicContact CH2-CE2 4.27Å; W113-F118 AromaticContact CZ3-CE2 3.86Å; W113-F118 HydrophobicContact CZ3-CE2 3.86Å; Q114-F118 HydrophobicContact CG-CD2 4.02Å; Q114-F118 WeakPolarHBondContact O-CB 3.42Å; Q114-F118 WeakPolarHBondContact O-CD2 3.39Å; Q114-F118 PolarHBondContact O-N 2.74Å; F118-K120 PolarHBondContact O-N 3.07Å; F118-F126 HydrophobicContact CB-CD1 3.73Å; F118-F126 HydrophobicContact CB-CE1 3.95Å; F118-F126 HydrophobicContact CB-CG 4.35Å
119H98.1Very high96Very high79 Ų7979.4 Ų79.437%0.36639%0.394SS..  trans-92.9101.3-173.2-61.588.4000112D116 F126 R127 E128D116-H119 PolarHBondContact O-CE1 3.41Å; D116-H119 VanDerWaalsContact O-CE1 3.27Å; H119-F126 CarbonylContact O-C 3.58Å; H119-F126 WeakPolarHBondContact O-CA 3.24Å; H119-R127 HydrophobicContact CB-CB 4.09Å; H119-R127 PolarHBondContact O-N 3.28Å; H119-E128 IonicContact CE1-OE1 3.5Å; H119-E128 IonicContact CG-OE1 2.69Å; H119-E128 PolarHBondContact N-OE2 3.43Å; H119-E128 IonicContact ND1-OE1 3.72Å; H119-E128 PolarHBondContact ND1-OE1 2.87Å
120K95.1Very high95.9Very high162 Ų16279.6 Ų79.670%0.70440%0.395SS*.BIsolated β-bridgetrans-58.2141.1177-69.1179.4-178.6172.70112.5F118 G125 F126F118-K120 PolarHBondContact O-N 3.07Å; K120-G125 WeakPolarHBondContact CA-O 3.1Å; K120-F126 HydrophobicContact CD-CE1 4.4Å; K120-F126 HydrophobicContact CG-CD1 3.86Å; K120-F126 HydrophobicContact CG-CE1 3.53Å
121Q93.7Very high95.9Very high64 Ų6484 Ų8430%0.29942%0.418SS..  trans-103.8154.9177.9-56.4-157.6-23.500113.1M123 G124 G125 R127 K130Q121-M123 PolarHBondContact O-N 3.4Å; Q121-M123 VanDerWaalsContact O-N 3.12Å; Q121-G124 PolarHBondContact O-N 2.94Å; Q121-G125 PolarHBondContact N-O 2.95Å; Q121-R127 HydrophobicContact CG-CB 4.48Å; Q121-R127 VanDerWaalsContact NE2-CA 3.29Å; Q121-K130 VanDerWaalsContact OE1-CD 3.24Å
122M86.6Confident95.9Very high196 Ų19679 Ų7997%0.96640%0.402SS*.THydrogen-bonded Turntrans-55.3-28.5179.4-70.9-75.1-7400114.3
123M85.9Confident95.9Very high186 Ų18676.6 Ų76.692%0.91639%0.389SS*.THydrogen-bonded Turntrans-10114.5-179.1-61.4-63.3-6900112.8Q121Q121-M123 PolarHBondContact O-N 3.4Å; Q121-M123 VanDerWaalsContact O-N 3.12Å
124G88Confident95.9Very high49 Ų4976.9 Ų76.951%0.50540%0.395SS..SBendtrans84.6167.5-17100000113.5Q121Q121-G124 PolarHBondContact O-N 2.94Å
125G93.4Very high95.9Very high48 Ų4876.8 Ų76.850%0.49540%0.4SS..SBendtrans73.9178.9-173.600000114.1K120 Q121K120-G125 WeakPolarHBondContact CA-O 3.1Å; Q121-G125 PolarHBondContact N-O 2.95Å
126F97.6Very high95.9Very high24 Ų2470.5 Ų70.511%0.10537%0.372CS..BIsolated β-bridgetrans-108.4152.3178.4-54.9-77.8000111.5D30 H33 F118 H119 K120 E128 T129 K130D30-F126 WeakPolarHBondContact OD1-CD2 3.42Å; H33-F126 HydrophobicContact CB-CE2 4Å; H33-F126 HydrophobicContact CB-CZ 3.95Å; H33-F126 AromaticContact CD2-CE1 3.38Å; H33-F126 WeakPolarHBondContact CD2-CE1 3.34Å; H33-F126 AromaticContact CD2-CZ 3.24Å; H33-F126 WeakPolarHBondContact CD2-CZ 3.48Å; H33-F126 AromaticContact CE1-CZ 3.72Å; H33-F126 AromaticContact CG-CE1 3.95Å; H33-F126 AromaticContact CG-CE2 3.89Å; H33-F126 AromaticContact CG-CZ 3.34Å; H33-F126 AromaticContact ND1-CZ 3.62Å; H33-F126 AromaticContact NE2-CE1 3.65Å; H33-F126 AromaticContact NE2-CZ 3.48Å; H33-F126 WeakPolarHBondContact NE2-CZ 3.33Å; F118-F126 HydrophobicContact CB-CD1 3.73Å; F118-F126 HydrophobicContact CB-CE1 3.95Å; F118-F126 HydrophobicContact CB-CG 4.35Å; H119-F126 CarbonylContact O-C 3.58Å; H119-F126 WeakPolarHBondContact O-CA 3.24Å; K120-F126 HydrophobicContact CD-CE1 4.4Å; K120-F126 HydrophobicContact CG-CD1 3.86Å; K120-F126 HydrophobicContact CG-CE1 3.53Å; F126-E128 VanDerWaalsContact C-N 3.31Å; F126-E128 PolarHBondContact O-N 3.39Å; F126-T129 PolarHBondContact O-N 3.19Å; F126-K130 PolarHBondContact O-N 3.31Å; F126-K130 VanDerWaalsContact O-N 3.11Å
127R97.9Very high96Very high126 Ų12670.7 Ų70.748%0.47536%0.364SS..Hα-helixtrans-60.5-43.1175.2-178.9-174.7-66158.91111.4H119 Q121 T129 K130 D131H119-R127 HydrophobicContact CB-CB 4.09Å; H119-R127 PolarHBondContact O-N 3.28Å; Q121-R127 HydrophobicContact CG-CB 4.48Å; Q121-R127 VanDerWaalsContact NE2-CA 3.29Å; R127-T129 VanDerWaalsContact C-N 3.34Å; R127-T129 PolarHBondContact O-N 2.88Å; R127-K130 PolarHBondContact O-N 2.97Å; R127-K130 VanDerWaalsContact O-N 3.16Å; R127-D131 VanDerWaalsContact CG-OD2 3.29Å; R127-D131 WeakPolarHBondContact CG-OD2 3.24Å; R127-D131 WeakPolarHBondContact O-CB 3.27Å; R127-D131 VanDerWaalsContact O-CG 3.23Å; R127-D131 PolarHBondContact O-N 2.83Å
128E98.1Very high96Very high53 Ų5377.6 Ų77.625%0.24839%0.389CS..Hα-helixtrans-61.3-44-176.9-63.366.1-14200110.8I29 H119 F126 A132I29-E128 HydrophobicContact CG2-CB 3.86Å; H119-E128 IonicContact CE1-OE1 3.5Å; H119-E128 IonicContact CG-OE1 2.69Å; H119-E128 PolarHBondContact N-OE2 3.43Å; H119-E128 IonicContact ND1-OE1 3.72Å; H119-E128 PolarHBondContact ND1-OE1 2.87Å; F126-E128 VanDerWaalsContact C-N 3.31Å; F126-E128 PolarHBondContact O-N 3.39Å; E128-A132 WeakPolarHBondContact O-CB 3.43Å; E128-A132 PolarHBondContact O-N 3.36Å
129T98Very high96Very high15 Ų1576.9 Ų76.99%0.09239%0.388CS..Hα-helixtrans-63.9-45.2174.5-47.90000111.7V26 I29 D30 F126 R127 D133V26-T129 HydrophobicContact CG1-CG2 3.55Å; I29-T129 WeakPolarHBondContact CG2-OG1 3.48Å; D30-T129 WeakPolarHBondContact OD1-CB 3.31Å; D30-T129 VanDerWaalsContact OD1-CG2 3.28Å; D30-T129 WeakPolarHBondContact OD1-CG2 3.31Å; D30-T129 PolarHBondContact OD1-OG1 2.62Å; D30-T129 WeakPolarHBondContact OD2-CG2 3.34Å; F126-T129 PolarHBondContact O-N 3.19Å; R127-T129 VanDerWaalsContact C-N 3.34Å; R127-T129 PolarHBondContact O-N 2.88Å; T129-D133 WeakPolarHBondContact O-CB 3.48Å; T129-D133 PolarHBondContact O-N 2.84Å
130K97.8Very high96Very high92 Ų9273.6 Ų73.640%0.437%0.373SS..Hα-helixtrans-63.5-47.5179.4175.6173.6170.651.90112.2Q121 F126 R127 A132 D133 D134Q121-K130 VanDerWaalsContact OE1-CD 3.24Å; F126-K130 PolarHBondContact O-N 3.31Å; F126-K130 VanDerWaalsContact O-N 3.11Å; R127-K130 PolarHBondContact O-N 2.97Å; R127-K130 VanDerWaalsContact O-N 3.16Å; K130-A132 VanDerWaalsContact C-N 3.29Å; K130-A132 PolarHBondContact O-N 3.11Å; K130-D133 PolarHBondContact O-N 3.09Å; K130-D134 IonicContact NZ-OD2 3.73Å; K130-D134 PolarHBondContact NZ-OD2 3.4Å; K130-D134 PolarHBondContact O-N 3.15Å
131D98.1Very high96.2Very high94 Ų9473.6 Ų73.650%0.50337%0.373SS..Hα-helixtrans-68-33-174.8-67.4-6.8000110.7R127 G135R127-D131 VanDerWaalsContact CG-OD2 3.29Å; R127-D131 WeakPolarHBondContact CG-OD2 3.24Å; R127-D131 WeakPolarHBondContact O-CB 3.27Å; R127-D131 VanDerWaalsContact O-CG 3.23Å; R127-D131 PolarHBondContact O-N 2.83Å; D131-G135 PolarHBondContact O-N 2.83Å
132A98.4Very high96.4Very high10 Ų1074.3 Ų74.38%0.08338%0.383CS..Hα-helixtrans-67.5-45.9170.300000112.9V26 I29 E128 K130 G135 F136 T231V26-A132 HydrophobicContact CG2-CB 4.41Å; I29-A132 HydrophobicContact CD1-CB 3.62Å; E128-A132 WeakPolarHBondContact O-CB 3.43Å; E128-A132 PolarHBondContact O-N 3.36Å; K130-A132 VanDerWaalsContact C-N 3.29Å; K130-A132 PolarHBondContact O-N 3.11Å; A132-G135 PolarHBondContact O-N 3.47Å; A132-F136 WeakPolarHBondContact O-CD2 3.4Å; A132-F136 PolarHBondContact O-N 3.5Å; A132-T231 HydrophobicContact CB-CG2 4.03Å
133D98.4Very high96.9Very high30 Ų3066.4 Ų66.416%0.1634%0.342CS..Hα-helixtrans-63.4-48.8178.1-174.327.3000111.7V26 T129 K130 G135 F136 R137V26-D133 HydrophobicContact CG1-CB 4.06Å; V26-D133 HydrophobicContact CG2-CB 4.31Å; T129-D133 WeakPolarHBondContact O-CB 3.48Å; T129-D133 PolarHBondContact O-N 2.84Å; K130-D133 PolarHBondContact O-N 3.09Å; D133-G135 VanDerWaalsContact C-N 3.28Å; D133-G135 PolarHBondContact O-N 3.5Å; D133-F136 PolarHBondContact O-N 2.93Å; D133-R137 VanDerWaalsContact O-CB 3.29Å; D133-R137 WeakPolarHBondContact O-CB 3.47Å; D133-R137 WeakPolarHBondContact O-CD 3.04Å; D133-R137 WeakPolarHBondContact O-CG 3.24Å; D133-R137 PolarHBondContact O-N 3.39Å; D133-R137 IonicContact OD1-CZ 3.22Å; D133-R137 IonicContact OD1-NE 3.55Å; D133-R137 PolarHBondContact OD1-NE 3.22Å; D133-R137 IonicContact OD1-NH2 3.86Å; D133-R137 PolarHBondContact OD1-NH2 3.3Å; D133-R137 IonicContact OD2-CZ 3.41Å; D133-R137 IonicContact OD2-NE 3.64Å; D133-R137 PolarHBondContact OD2-NE 3.04Å; D133-R137 VanDerWaalsContact OD2-NE 3.08Å; D133-R137 IonicContact OD2-NH2 2.83Å; D133-R137 PolarHBondContact OD2-NH2 3.26Å
134D98.5Very high97.5Very high67 Ų6758.9 Ų58.936%0.35831%0.306SS..Hα-helixtrans-64.8-31.8175.2-79.5-31.3000112.3K130 K138K130-D134 IonicContact NZ-OD2 3.73Å; K130-D134 PolarHBondContact NZ-OD2 3.4Å; K130-D134 PolarHBondContact O-N 3.15Å; D134-K138 VanDerWaalsContact O-CB 3.24Å; D134-K138 WeakPolarHBondContact O-CB 3.46Å; D134-K138 PolarHBondContact O-N 3.27Å
135G98.7Very high98Very high19 Ų1964.9 Ų64.920%0.19631%0.314CS..Hα-helixtrans-59.7-58.8170.200000112.8D131 A132 D133 R137 K138 A139D131-G135 PolarHBondContact O-N 2.83Å; A132-G135 PolarHBondContact O-N 3.47Å; D133-G135 VanDerWaalsContact C-N 3.28Å; D133-G135 PolarHBondContact O-N 3.5Å; G135-R137 VanDerWaalsContact C-N 3.34Å; G135-R137 PolarHBondContact O-N 3.19Å; G135-K138 WeakPolarHBondContact O-CB 3.47Å; G135-K138 PolarHBondContact O-N 3.41Å; G135-K138 VanDerWaalsContact O-N 3.13Å; G135-A139 PolarHBondContact O-N 3.2Å
136F98.8Very high98.2Very high0 Ų064.6 Ų64.60%030%0.299CS..Hα-helixtrans-62.4-39178.4-72.6-59.6000112.2F16 Y22 T25 V26 A132 D133 K138 A139 Q140 M224 V227 F228 T231F16-F136 HydrophobicContact CE2-CE1 4.08Å; F16-F136 HydrophobicContact CE2-CZ 4.35Å; F16-F136 HydrophobicContact CZ-CD1 4.46Å; F16-F136 AromaticContact CZ-CE1 3.83Å; F16-F136 HydrophobicContact CZ-CE1 3.83Å; F16-F136 HydrophobicContact CZ-CZ 4.47Å; Y22-F136 HydrophobicContact CD1-CB 3.82Å; Y22-F136 HydrophobicContact CD1-CG 4.36Å; Y22-F136 HydrophobicContact CD2-CB 3.36Å; Y22-F136 AromaticContact CD2-CD2 3.61Å; Y22-F136 HydrophobicContact CD2-CD2 3.61Å; Y22-F136 AromaticContact CD2-CG 3.66Å; Y22-F136 HydrophobicContact CD2-CG 3.66Å; Y22-F136 HydrophobicContact CE1-CB 4Å; Y22-F136 HydrophobicContact CE2-CB 3.61Å; Y22-F136 HydrophobicContact CE2-CD2 4.45Å; Y22-F136 HydrophobicContact CE2-CG 4.38Å; Y22-F136 HydrophobicContact CG-CB 3.5Å; Y22-F136 HydrophobicContact CG-CD1 4.24Å; Y22-F136 AromaticContact CG-CD2 3.97Å; Y22-F136 HydrophobicContact CG-CD2 3.97Å; Y22-F136 AromaticContact CG-CG 3.67Å; Y22-F136 HydrophobicContact CG-CG 3.67Å; T25-F136 HydrophobicContact CG2-CE2 4.31Å; T25-F136 HydrophobicContact CG2-CZ 4.18Å; V26-F136 HydrophobicContact CG2-CD2 3.71Å; V26-F136 HydrophobicContact CG2-CE2 3.96Å; A132-F136 WeakPolarHBondContact O-CD2 3.4Å; A132-F136 PolarHBondContact O-N 3.5Å; D133-F136 PolarHBondContact O-N 2.93Å; F136-K138 VanDerWaalsContact C-N 3.31Å; F136-K138 PolarHBondContact O-N 3.3Å; F136-A139 PolarHBondContact O-N 3.13Å; F136-Q140 VanDerWaalsContact O-CB 3.31Å; F136-Q140 WeakPolarHBondContact O-CB 3.4Å; F136-Q140 PolarHBondContact O-N 3.12Å; F136-M224 HydrophobicContact CD1-CE 3.97Å; F136-M224 HydrophobicContact CD1-SD 3.87Å; F136-V227 HydrophobicContact CD1-CB 3.85Å; F136-V227 HydrophobicContact CD1-CG1 3.68Å; F136-V227 HydrophobicContact CD2-CG1 3.85Å; F136-V227 HydrophobicContact CE1-CB 3.74Å; F136-V227 HydrophobicContact CE1-CG1 3.65Å; F136-V227 HydrophobicContact CE2-CG1 3.83Å; F136-V227 HydrophobicContact CG-CB 4.42Å; F136-V227 HydrophobicContact CG-CG1 3.78Å; F136-V227 HydrophobicContact CZ-CB 4.25Å; F136-V227 HydrophobicContact CZ-CG1 3.74Å; F136-F228 HydrophobicContact CE1-CB 4.18Å; F136-F228 HydrophobicContact CZ-CB 4.26Å; F136-T231 HydrophobicContact CE2-CG2 4.29Å; F136-T231 HydrophobicContact CZ-CG2 4.46Å
137R98.6Very high98.2Very high121 Ų12165.1 Ų65.146%0.45730%0.303SS..Hα-helixtrans-58.5-42.1173.2-73.8168.3-174.7-149.16.1111.7Y22 D133 G135 K141Y22-R137 VanDerWaalsContact OH-CG 3.25Å; Y22-R137 WeakPolarHBondContact OH-CG 3.44Å; D133-R137 VanDerWaalsContact O-CB 3.29Å; D133-R137 WeakPolarHBondContact O-CB 3.47Å; D133-R137 WeakPolarHBondContact O-CD 3.04Å; D133-R137 WeakPolarHBondContact O-CG 3.24Å; D133-R137 PolarHBondContact O-N 3.39Å; D133-R137 IonicContact OD1-CZ 3.22Å; D133-R137 IonicContact OD1-NE 3.55Å; D133-R137 PolarHBondContact OD1-NE 3.22Å; D133-R137 IonicContact OD1-NH2 3.86Å; D133-R137 PolarHBondContact OD1-NH2 3.3Å; D133-R137 IonicContact OD2-CZ 3.41Å; D133-R137 IonicContact OD2-NE 3.64Å; D133-R137 PolarHBondContact OD2-NE 3.04Å; D133-R137 VanDerWaalsContact OD2-NE 3.08Å; D133-R137 IonicContact OD2-NH2 2.83Å; D133-R137 PolarHBondContact OD2-NH2 3.26Å; G135-R137 VanDerWaalsContact C-N 3.34Å; G135-R137 PolarHBondContact O-N 3.19Å; R137-K141 WeakPolarHBondContact O-CB 3.5Å; R137-K141 PolarHBondContact O-N 3.06Å; R137-K141 VanDerWaalsContact O-N 3.12Å
138K98.6Very high98.2Very high172 Ų17265.5 Ų65.575%0.74831%0.308SS*.Hα-helixtrans-66.1-44.9178-177.7-174.4173.7-166.50111.5D134 G135 F136 P142D134-K138 VanDerWaalsContact O-CB 3.24Å; D134-K138 WeakPolarHBondContact O-CB 3.46Å; D134-K138 PolarHBondContact O-N 3.27Å; G135-K138 WeakPolarHBondContact O-CB 3.47Å; G135-K138 PolarHBondContact O-N 3.41Å; G135-K138 VanDerWaalsContact O-N 3.13Å; F136-K138 VanDerWaalsContact C-N 3.31Å; F136-K138 PolarHBondContact O-N 3.3Å; K138-P142 WeakPolarHBondContact O-CD 3.45Å
139A98.4Very high98.2Very high8 Ų866.1 Ų66.17%0.06631%0.311CS..Hα-helixtrans-64.3-45.5177.900000113G135 F136 P142 D223 M224G135-A139 PolarHBondContact O-N 3.2Å; F136-A139 PolarHBondContact O-N 3.13Å; A139-P142 WeakPolarHBondContact O-CD 3.38Å; A139-D223 HydrophobicContact CB-CB 3.68Å; A139-M224 HydrophobicContact CB-CG 4.04Å; A139-M224 HydrophobicContact CB-SD 3.75Å
140Q98.3Very high98.2Very high10 Ų1065.9 Ų65.95%0.04731%0.309CS..Hα-helixtrans-81.9-25.2-173.7-172174.882.100114.1E18 P19 F136 W143 V144 Y220 M224E18-Q140 PolarHBondContact O-NE2 3.49Å; E18-Q140 VanDerWaalsContact O-NE2 3.15Å; P19-Q140 VanDerWaalsContact CA-OE1 3.31Å; F136-Q140 VanDerWaalsContact O-CB 3.31Å; F136-Q140 WeakPolarHBondContact O-CB 3.4Å; F136-Q140 PolarHBondContact O-N 3.12Å; Q140-W143 PolarHBondContact O-N 3.24Å; Q140-V144 HydrophobicContact CG-CG2 3.65Å; Q140-V144 PolarHBondContact O-N 3.41Å; Q140-Y220 HydrophobicContact CB-CE2 3.82Å; Q140-Y220 HydrophobicContact CG-CE2 3.68Å; Q140-Y220 PolarHBondContact NE2-OH 3.26Å; Q140-M224 HydrophobicContact CB-SD 3.92Å
141K97.9Very high98.2Very high162 Ų16265.4 Ų65.470%0.70431%0.309SS*.Hα-helixtrans-56.3-41-174.9174.8176.8-178.3179.90115.5R137 R145R137-K141 WeakPolarHBondContact O-CB 3.5Å; R137-K141 PolarHBondContact O-N 3.06Å; R137-K141 VanDerWaalsContact O-N 3.12Å; K141-R145 PolarHBondContact O-N 3.27Å
142P98Very high98.2Very high79 Ų7964.4 Ų64.451%0.51331%0.309SS..Hα-helixtrans-64.1-43.2176-21.434000112.5K138 A139 R145 K146K138-P142 WeakPolarHBondContact O-CD 3.45Å; A139-P142 WeakPolarHBondContact O-CD 3.38Å; P142-R145 WeakPolarHBondContact O-CB 3.49Å; P142-R145 PolarHBondContact O-N 2.85Å; P142-K146 PolarHBondContact O-N 2.76Å
143W98.4Very high98.2Very high29 Ų2964.7 Ų64.711%0.1131%0.31CS..Hα-helixtrans-67.2-46.5-179.5-172.187.3000111.8P19 Q140 R145 K146 L147 L213 N217 Y220P19-W143 HydrophobicContact CG-CZ3 4.28Å; Q140-W143 PolarHBondContact O-N 3.24Å; W143-R145 PolarHBondContact O-N 3.08Å; W143-K146 CarbonylContact O-C 3.59Å; W143-K146 WeakPolarHBondContact O-CA 3.36Å; W143-K146 PolarHBondContact O-N 2.8Å; W143-L147 HydrophobicContact CH2-CD1 4.44Å; W143-L147 HydrophobicContact CH2-CD2 3.98Å; W143-L147 HydrophobicContact CZ3-CB 4.49Å; W143-L147 HydrophobicContact CZ3-CD2 3.76Å; W143-L147 PolarHBondContact O-N 2.64Å; W143-L213 HydrophobicContact CD2-CD1 4.23Å; W143-L213 HydrophobicContact CG-CD1 4.13Å; W143-L213 HydrophobicContact CZ2-CD1 4.43Å; W143-N217 PolarHBondContact NE1-OD1 3.3Å; W143-Y220 HydrophobicContact CB-CD1 4.03Å; W143-Y220 HydrophobicContact CB-CD2 3.77Å; W143-Y220 HydrophobicContact CB-CE1 4.48Å; W143-Y220 HydrophobicContact CB-CE2 4.27Å; W143-Y220 HydrophobicContact CB-CG 3.64Å; W143-Y220 AromaticContact CD1-CD1 3.45Å; W143-Y220 VanDerWaalsContact CD1-CD1 3.45Å; W143-Y220 AromaticContact CD1-CG 3.72Å; W143-Y220 AromaticContact CD2-CD1 3.66Å; W143-Y220 HydrophobicContact CD2-CD1 3.66Å; W143-Y220 AromaticContact CD2-CE1 3.58Å; W143-Y220 HydrophobicContact CD2-CE1 3.58Å; W143-Y220 HydrophobicContact CD2-CG 4.23Å; W143-Y220 AromaticContact CE2-CD1 3.84Å; W143-Y220 AromaticContact CE2-CE1 3.84Å; W143-Y220 HydrophobicContact CE3-CD1 4.37Å; W143-Y220 AromaticContact CE3-CE1 3.85Å; W143-Y220 HydrophobicContact CE3-CE1 3.85Å; W143-Y220 AromaticContact CG-CD1 3.45Å; W143-Y220 HydrophobicContact CG-CD1 3.45Å; W143-Y220 VanDerWaalsContact CG-CD1 3.45Å; W143-Y220 HydrophobicContact CG-CD2 4.12Å; W143-Y220 AromaticContact CG-CE1 3.86Å; W143-Y220 HydrophobicContact CG-CE1 3.86Å; W143-Y220 HydrophobicContact CG-CE2 4.49Å; W143-Y220 AromaticContact CG-CG 3.59Å; W143-Y220 HydrophobicContact CG-CG 3.59Å; W143-Y220 HydrophobicContact CZ2-CE1 4.35Å; W143-Y220 HydrophobicContact CZ3-CE1 4.32Å; W143-Y220 AromaticContact NE1-CD1 3.67Å
144V97.8Very high98.2Very high28 Ų2867.6 Ų67.617%0.1732%0.321CS..Hα-helixtrans-59.8-31.2175.4165.70000112.7P19 Q140 K148P19-V144 HydrophobicContact CB-CG2 3.93Å; P19-V144 HydrophobicContact CG-CG2 3.93Å; Q140-V144 HydrophobicContact CG-CG2 3.65Å; Q140-V144 PolarHBondContact O-N 3.41Å; V144-K148 HydrophobicContact CG1-CD 4.5Å; V144-K148 WeakPolarHBondContact O-CG 3.25Å; V144-K148 PolarHBondContact O-N 3.47Å
145R97.6Very high98.2Very high175 Ų17570.7 Ų70.766%0.6633%0.332SS*.Hα-helixtrans-65-46.7172179.6178.91741603.8111.2K141 P142 W143 K148 E149K141-R145 PolarHBondContact O-N 3.27Å; P142-R145 WeakPolarHBondContact O-CB 3.49Å; P142-R145 PolarHBondContact O-N 2.85Å; W143-R145 PolarHBondContact O-N 3.08Å; R145-K148 PolarHBondContact O-N 3.14Å; R145-E149 IonicContact NE-OE1 2.66Å; R145-E149 PolarHBondContact NE-OE1 2.95Å; R145-E149 PolarHBondContact O-N 2.84Å
146K97.9Very high98.1Very high43 Ų4373 Ų7319%0.18735%0.345CS..Hα-helixtrans-67.1-36.5177.8-75.3-74165.5-161.50112.7P142 W143 K148 E149 V150 E212 L213P142-K146 PolarHBondContact O-N 2.76Å; W143-K146 CarbonylContact O-C 3.59Å; W143-K146 WeakPolarHBondContact O-CA 3.36Å; W143-K146 PolarHBondContact O-N 2.8Å; K146-K148 VanDerWaalsContact C-N 3.3Å; K146-K148 PolarHBondContact O-N 2.86Å; K146-E149 WeakPolarHBondContact CD-OE2 3.49Å; K146-E149 WeakPolarHBondContact CE-OE2 3.4Å; K146-E149 IonicContact NZ-OE2 2.66Å; K146-E149 PolarHBondContact NZ-OE2 2.93Å; K146-E149 WeakPolarHBondContact O-CB 3.47Å; K146-E149 PolarHBondContact O-N 3.49Å; K146-E149 VanDerWaalsContact O-N 3.12Å; K146-V150 PolarHBondContact O-N 3.16Å; K146-E212 HydrophobicContact CD-CB 4.12Å; K146-E212 IonicContact NZ-OE2 3.64Å; K146-E212 PolarHBondContact NZ-OE2 3.23Å; K146-L213 HydrophobicContact CB-CB 4.33Å; K146-L213 HydrophobicContact CB-CD1 3.61Å
147L97.7Very high98.1Very high34 Ų3475.5 Ų75.518%0.17836%0.355CS..Hα-helixtrans-58.4-41.5173.4-176.964.9000111.7P19 W143 E149 V150 E151 L213P19-L147 HydrophobicContact CG-CD2 3.96Å; W143-L147 HydrophobicContact CH2-CD1 4.44Å; W143-L147 HydrophobicContact CH2-CD2 3.98Å; W143-L147 HydrophobicContact CZ3-CB 4.49Å; W143-L147 HydrophobicContact CZ3-CD2 3.76Å; W143-L147 PolarHBondContact O-N 2.64Å; L147-E149 VanDerWaalsContact C-N 3.34Å; L147-E149 PolarHBondContact O-N 3.11Å; L147-V150 WeakPolarHBondContact O-CB 3.41Å; L147-V150 PolarHBondContact O-N 3.46Å; L147-E151 PolarHBondContact O-N 3.35Å; L147-L213 HydrophobicContact CD1-CD2 4.16Å
148K97.8Very high98.1Very high135 Ų13574.9 Ų74.959%0.58736%0.356SS*.Hα-helixtrans-66.5-33.7176-71.3174.1-178.9-175.90113.1V144 R145 K146 S152V144-K148 HydrophobicContact CG1-CD 4.5Å; V144-K148 WeakPolarHBondContact O-CG 3.25Å; V144-K148 PolarHBondContact O-N 3.47Å; R145-K148 PolarHBondContact O-N 3.14Å; K146-K148 VanDerWaalsContact C-N 3.3Å; K146-K148 PolarHBondContact O-N 2.86Å; K148-S152 VanDerWaalsContact O-CB 3.29Å; K148-S152 WeakPolarHBondContact O-CB 3.29Å; K148-S152 PolarHBondContact O-N 3.38Å
149E97.9Very high98.1Very high66 Ų6671 Ų7131%0.30834%0.341SS..Hα-helixtrans-68.6-37.2173.6-66.5168.6-161.600110.9R145 K146 L147 S153R145-E149 IonicContact NE-OE1 2.66Å; R145-E149 PolarHBondContact NE-OE1 2.95Å; R145-E149 PolarHBondContact O-N 2.84Å; K146-E149 WeakPolarHBondContact CD-OE2 3.49Å; K146-E149 WeakPolarHBondContact CE-OE2 3.4Å; K146-E149 IonicContact NZ-OE2 2.66Å; K146-E149 PolarHBondContact NZ-OE2 2.93Å; K146-E149 WeakPolarHBondContact O-CB 3.47Å; K146-E149 PolarHBondContact O-N 3.49Å; K146-E149 VanDerWaalsContact O-N 3.12Å; L147-E149 VanDerWaalsContact C-N 3.34Å; L147-E149 PolarHBondContact O-N 3.11Å; E149-S153 WeakPolarHBondContact O-CB 3.31Å; E149-S153 PolarHBondContact O-N 3.33Å; E149-S153 VanDerWaalsContact O-N 3.12Å; E149-S153 PolarHBondContact O-OG 2.79Å
150V98.2Very high98Very high10 Ų1071.4 Ų71.46%0.06135%0.345CS..Hα-helixtrans-65.4-48.1170.4169.70000112.2K146 L147 S152 S153 K154 Y206 A209 L210 L213K146-V150 PolarHBondContact O-N 3.16Å; L147-V150 WeakPolarHBondContact O-CB 3.41Å; L147-V150 PolarHBondContact O-N 3.46Å; V150-S152 VanDerWaalsContact C-N 3.34Å; V150-S152 PolarHBondContact O-N 3.2Å; V150-S153 PolarHBondContact O-N 3.04Å; V150-S153 PolarHBondContact O-OG 2.72Å; V150-S153 VanDerWaalsContact O-OG 3.06Å; V150-K154 VanDerWaalsContact O-CB 3.24Å; V150-K154 WeakPolarHBondContact O-CB 3.4Å; V150-K154 PolarHBondContact O-N 3.32Å; V150-Y206 HydrophobicContact CG1-CD2 4.48Å; V150-Y206 HydrophobicContact CG1-CE2 3.89Å; V150-A209 HydrophobicContact CG2-CB 3.77Å; V150-A209 VanDerWaalsContact CG2-O 3.23Å; V150-A209 WeakPolarHBondContact CG2-O 3.45Å; V150-L210 HydrophobicContact CG1-CD2 3.58Å; V150-L210 HydrophobicContact CG1-CG 4.17Å; V150-L210 HydrophobicContact CG2-CD2 4.26Å; V150-L210 HydrophobicContact CG2-CG 4.48Å; V150-L213 HydrophobicContact CB-CD2 4.43Å; V150-L213 HydrophobicContact CG2-CB 3.91Å; V150-L213 HydrophobicContact CG2-CD2 3.89Å; V150-L213 HydrophobicContact CG2-CG 4.5Å
151E97.6Very high98Very high82 Ų8274.4 Ų74.438%0.38336%0.358SS..Hα-helixtrans-60.3-42.6177.1-79.3-173.4-14800112.8L147 K155L147-E151 PolarHBondContact O-N 3.35Å; E151-K155 WeakPolarHBondContact O-CB 3.11Å; E151-K155 WeakPolarHBondContact O-CD 3.29Å; E151-K155 VanDerWaalsContact O-CG 3.25Å; E151-K155 WeakPolarHBondContact O-CG 3.25Å; E151-K155 PolarHBondContact O-N 3.47Å; E151-K155 IonicContact OE2-NZ 3.32Å; E151-K155 PolarHBondContact OE2-NZ 3.12Å
152S98.2Very high98Very high73 Ų7373 Ų7351%0.5135%0.351SS..Hα-helixtrans-63.8-49.9-179.8-177.10000110.7K148 V150 K154 K155 S156K148-S152 VanDerWaalsContact O-CB 3.29Å; K148-S152 WeakPolarHBondContact O-CB 3.29Å; K148-S152 PolarHBondContact O-N 3.38Å; V150-S152 VanDerWaalsContact C-N 3.34Å; V150-S152 PolarHBondContact O-N 3.2Å; S152-K154 PolarHBondContact O-N 3.46Å; S152-K155 PolarHBondContact O-N 3.47Å; S152-S156 PolarHBondContact O-N 2.91Å; S152-S156 PolarHBondContact O-OG 2.84Å
153S98.3Very high98Very high15 Ų1573.2 Ų73.211%0.10535%0.345CS..Hα-helixtrans-65.9-35.8177.753.30000112.9E149 V150 S156 Y157 A209E149-S153 WeakPolarHBondContact O-CB 3.31Å; E149-S153 PolarHBondContact O-N 3.33Å; E149-S153 VanDerWaalsContact O-N 3.12Å; E149-S153 PolarHBondContact O-OG 2.79Å; V150-S153 PolarHBondContact O-N 3.04Å; V150-S153 PolarHBondContact O-OG 2.72Å; V150-S153 VanDerWaalsContact O-OG 3.06Å; S153-S156 PolarHBondContact O-N 3.23Å; S153-Y157 WeakPolarHBondContact O-CB 3.22Å; S153-Y157 PolarHBondContact O-N 2.87Å; S153-A209 WeakPolarHBondContact OG-CB 3.49Å
154K98.4Very high97.9Very high92 Ų9272.4 Ų72.440%0.434%0.343SS..Hα-helixtrans-56.9-49.6169.7-171.8175.8179.51760111.7V150 S152 S156 Y157 H158 Y206V150-K154 VanDerWaalsContact O-CB 3.24Å; V150-K154 WeakPolarHBondContact O-CB 3.4Å; V150-K154 PolarHBondContact O-N 3.32Å; S152-K154 PolarHBondContact O-N 3.46Å; K154-S156 PolarHBondContact O-N 3Å; K154-Y157 PolarHBondContact O-N 3.09Å; K154-H158 WeakPolarHBondContact O-CB 3.14Å; K154-H158 PolarHBondContact O-CD2 2.91Å; K154-H158 PolarHBondContact O-N 3.47Å; K154-Y206 HydrophobicContact CB-CD2 3.83Å; K154-Y206 HydrophobicContact CB-CE2 3.46Å; K154-Y206 VanDerWaalsContact CB-CE2 3.46Å; K154-Y206 HydrophobicContact CD-CE2 4.22Å; K154-Y206 HydrophobicContact CG-CE2 3.89Å
155K98.3Very high97.9Very high132 Ų13279.3 Ų79.357%0.57437%0.366SS*.Hα-helixtrans-60.3-43.6178.2-72.5159.5-176.8159.60110.9E151 S152 Q159E151-K155 WeakPolarHBondContact O-CB 3.11Å; E151-K155 WeakPolarHBondContact O-CD 3.29Å; E151-K155 VanDerWaalsContact O-CG 3.25Å; E151-K155 WeakPolarHBondContact O-CG 3.25Å; E151-K155 PolarHBondContact O-N 3.47Å; E151-K155 IonicContact OE2-NZ 3.32Å; E151-K155 PolarHBondContact OE2-NZ 3.12Å; S152-K155 PolarHBondContact O-N 3.47Å; K155-Q159 WeakPolarHBondContact O-CB 3.1Å; K155-Q159 PolarHBondContact O-N 3.38Å
156S98.2Very high97.8Very high68 Ų6873.2 Ų73.248%0.47635%0.348SS..Hα-helixtrans-62.8-44.1174.4-59.40000113.4S152 S153 K154 Q159 A160S152-S156 PolarHBondContact O-N 2.91Å; S152-S156 PolarHBondContact O-OG 2.84Å; S153-S156 PolarHBondContact O-N 3.23Å; K154-S156 PolarHBondContact O-N 3Å; S156-Q159 PolarHBondContact O-N 2.81Å; S156-A160 WeakPolarHBondContact O-CB 3.45Å; S156-A160 PolarHBondContact O-N 3.21Å
157Y98.4Very high97.7Very high52 Ų5271.4 Ų71.420%0.20434%0.341CS..Hα-helixtrans-63.8-45.4177.6171.4-119.9000112.1S153 K154 Q159 A160 K161 A202 K203 Y206S153-Y157 WeakPolarHBondContact O-CB 3.22Å; S153-Y157 PolarHBondContact O-N 2.87Å; K154-Y157 PolarHBondContact O-N 3.09Å; Y157-Q159 VanDerWaalsContact C-N 3.32Å; Y157-Q159 PolarHBondContact O-N 3Å; Y157-A160 PolarHBondContact O-N 2.91Å; Y157-K161 HydrophobicContact CD2-CG 3.99Å; Y157-K161 HydrophobicContact CE1-CG 4.35Å; Y157-K161 HydrophobicContact CE2-CD 3.63Å; Y157-K161 HydrophobicContact CE2-CG 3.42Å; Y157-K161 VanDerWaalsContact CE2-CG 3.42Å; Y157-K161 WeakPolarHBondContact O-CG 3.3Å; Y157-K161 PolarHBondContact O-N 3.18Å; Y157-A202 HydrophobicContact CD2-CB 4.39Å; Y157-K203 HydrophobicContact CD2-CB 3.67Å; Y157-K203 HydrophobicContact CD2-CG 4.43Å; Y157-K203 HydrophobicContact CE2-CB 3.55Å; Y157-K203 HydrophobicContact CE2-CD 4.13Å; Y157-K203 HydrophobicContact CE2-CG 3.94Å; Y157-Y206 HydrophobicContact CD1-CD1 4.01Å; Y157-Y206 HydrophobicContact CD1-CE1 4.47Å
158H98.2Very high97.7Very high107 Ų10773 Ų7350%0.49535%0.35SS..Hα-helixtrans-60.8-40.8177-75.7-143.4000111.8K154 K162K154-H158 WeakPolarHBondContact O-CB 3.14Å; K154-H158 PolarHBondContact O-CD2 2.91Å; K154-H158 PolarHBondContact O-N 3.47Å; H158-K162 WeakPolarHBondContact O-CB 3.42Å; H158-K162 PolarHBondContact O-N 3.4Å; H158-K162 VanDerWaalsContact O-N 3.11Å
159Q98.1Very high97.6Very high91 Ų9168.3 Ų68.343%0.42533%0.333SS..Hα-helixtrans-66.1-44.3175.6-179.559.522.400111.8K155 S156 Y157 K161 K162 E163K155-Q159 WeakPolarHBondContact O-CB 3.1Å; K155-Q159 PolarHBondContact O-N 3.38Å; S156-Q159 PolarHBondContact O-N 2.81Å; Y157-Q159 VanDerWaalsContact C-N 3.32Å; Y157-Q159 PolarHBondContact O-N 3Å; Q159-K161 PolarHBondContact O-N 3.48Å; Q159-K162 WeakPolarHBondContact O-CB 3.44Å; Q159-K162 PolarHBondContact O-N 3.41Å; Q159-K162 VanDerWaalsContact O-N 3.13Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.4Å; Q159-E163 PolarHBondContact NE2-OE1 3.21Å; Q159-E163 PolarHBondContact O-N 2.63Å
160A97.8Very high97.4Very high17 Ų1771.7 Ų71.714%0.1434%0.343CS..Hα-helixtrans-62.6-42.2177.900000112.4S156 Y157 K162 E163 E164 A199 A202S156-A160 WeakPolarHBondContact O-CB 3.45Å; S156-A160 PolarHBondContact O-N 3.21Å; Y157-A160 PolarHBondContact O-N 2.91Å; A160-K162 VanDerWaalsContact C-N 3.3Å; A160-K162 PolarHBondContact O-N 2.93Å; A160-E163 PolarHBondContact O-N 3.42Å; A160-E164 WeakPolarHBondContact O-CB 3.44Å; A160-E164 PolarHBondContact O-N 2.92Å; A160-A199 HydrophobicContact CB-CB 3.99Å; A160-A202 HydrophobicContact CB-CB 4.15Å
161K97.9Very high97.2Very high73 Ų7371.9 Ų71.932%0.31734%0.344SS..Hα-helixtrans-62.3-34.3172.8-68.4-61.2-64.7176.60112.8Y157 Q159 E164 W165 A199Y157-K161 HydrophobicContact CD2-CG 3.99Å; Y157-K161 HydrophobicContact CE1-CG 4.35Å; Y157-K161 HydrophobicContact CE2-CD 3.63Å; Y157-K161 HydrophobicContact CE2-CG 3.42Å; Y157-K161 VanDerWaalsContact CE2-CG 3.42Å; Y157-K161 WeakPolarHBondContact O-CG 3.3Å; Y157-K161 PolarHBondContact O-N 3.18Å; Q159-K161 PolarHBondContact O-N 3.48Å; K161-E164 VanDerWaalsContact CD-OE2 3.26Å; K161-E164 WeakPolarHBondContact CD-OE2 3.49Å; K161-E164 WeakPolarHBondContact CE-OE2 3.19Å; K161-E164 IonicContact NZ-OE1 3.99Å; K161-E164 IonicContact NZ-OE2 2.81Å; K161-E164 PolarHBondContact NZ-OE2 2.99Å; K161-W165 VanDerWaalsContact O-CB 3.31Å; K161-W165 WeakPolarHBondContact O-CB 3.32Å; K161-W165 PolarHBondContact O-N 3.41Å; K161-A199 HydrophobicContact CD-CB 3.87Å
162K98Very high97.1Very high132 Ų13271.9 Ų71.957%0.57435%0.35SS*.Hα-helixtrans-68.7-39175.3-174.5-179.7178.9-178.80112H158 Q159 A160 T166H158-K162 WeakPolarHBondContact O-CB 3.42Å; H158-K162 PolarHBondContact O-N 3.4Å; H158-K162 VanDerWaalsContact O-N 3.11Å; Q159-K162 WeakPolarHBondContact O-CB 3.44Å; Q159-K162 PolarHBondContact O-N 3.41Å; Q159-K162 VanDerWaalsContact O-N 3.13Å; A160-K162 VanDerWaalsContact C-N 3.3Å; A160-K162 PolarHBondContact O-N 2.93Å; K162-T166 WeakPolarHBondContact O-CB 3.21Å; K162-T166 PolarHBondContact O-N 3.41Å; K162-T166 PolarHBondContact O-OG1 3.46Å
163E97.1Very high96.9Very high83 Ų8375.2 Ų75.239%0.38836%0.357SS..Hα-helixtrans-71.3-41.5176.1-72.1-178.4-144.800112.4Q159 A160 T166 A167Q159-E163 WeakPolarHBondContact CG-OE1 3.4Å; Q159-E163 PolarHBondContact NE2-OE1 3.21Å; Q159-E163 PolarHBondContact O-N 2.63Å; A160-E163 PolarHBondContact O-N 3.42Å; E163-T166 WeakPolarHBondContact O-CB 3.49Å; E163-T166 PolarHBondContact O-N 3Å; E163-A167 PolarHBondContact O-N 3.12Å
164E96.3Very high96.6Very high12 Ų1274.8 Ų74.86%0.05635%0.354CS..Hα-helixtrans-58.3-50.9171.1-179.1-163.2-156.600111.5A160 K161 T166 A167 I168 C195 N196A160-E164 WeakPolarHBondContact O-CB 3.44Å; A160-E164 PolarHBondContact O-N 2.92Å; K161-E164 VanDerWaalsContact CD-OE2 3.26Å; K161-E164 WeakPolarHBondContact CD-OE2 3.49Å; K161-E164 WeakPolarHBondContact CE-OE2 3.19Å; K161-E164 IonicContact NZ-OE1 3.99Å; K161-E164 IonicContact NZ-OE2 2.81Å; K161-E164 PolarHBondContact NZ-OE2 2.99Å; E164-T166 VanDerWaalsContact C-N 3.27Å; E164-T166 PolarHBondContact O-N 2.97Å; E164-A167 WeakPolarHBondContact O-CA 3.45Å; E164-A167 WeakPolarHBondContact O-CB 3.42Å; E164-A167 PolarHBondContact O-N 3.2Å; E164-I168 HydrophobicContact CG-CD1 3.95Å; E164-I168 WeakPolarHBondContact O-CG1 3.45Å; E164-I168 PolarHBondContact O-N 3.06Å; E164-C195 HydrophobicContact CB-CB 4.17Å; E164-N196 HydrophobicContact CG-CB 4.35Å; E164-N196 PolarHBondContact OE1-ND2 3.16Å
165W97.2Very high96.2Very high173 Ų17376.5 Ų76.566%0.65536%0.361SS*.Hα-helixtrans-55.9-43.7174.917883.9000111.6K161 A167 I168 S169K161-W165 VanDerWaalsContact O-CB 3.31Å; K161-W165 WeakPolarHBondContact O-CB 3.32Å; K161-W165 PolarHBondContact O-N 3.41Å; W165-A167 VanDerWaalsContact C-N 3.31Å; W165-A167 PolarHBondContact O-N 2.92Å; W165-I168 PolarHBondContact O-N 2.61Å; W165-S169 PolarHBondContact O-N 3.12Å; W165-S169 PolarHBondContact O-OG 3.31Å
166T97.1Very high95.9Very high47 Ų4774 Ų7429%0.28837%0.366SS..Hα-helixtrans-63.8-34.1176.6-56.10000112.5K162 E163 E164 R170K162-T166 WeakPolarHBondContact O-CB 3.21Å; K162-T166 PolarHBondContact O-N 3.41Å; K162-T166 PolarHBondContact O-OG1 3.46Å; E163-T166 WeakPolarHBondContact O-CB 3.49Å; E163-T166 PolarHBondContact O-N 3Å; E164-T166 VanDerWaalsContact C-N 3.27Å; E164-T166 PolarHBondContact O-N 2.97Å; T166-R170 WeakPolarHBondContact O-CD 3.4Å; T166-R170 VanDerWaalsContact O-CG 3.24Å; T166-R170 WeakPolarHBondContact O-CG 3.28Å; T166-R170 PolarHBondContact O-N 3.4Å
167A96.1Very high95.6Very high5 Ų573.8 Ų73.84%0.04136%0.359CS..Hα-helixtrans-69.6-48.8174.300000111.3E163 E164 W165 S169 R170 E171 R191 C195E163-A167 PolarHBondContact O-N 3.12Å; E164-A167 WeakPolarHBondContact O-CA 3.45Å; E164-A167 WeakPolarHBondContact O-CB 3.42Å; E164-A167 PolarHBondContact O-N 3.2Å; W165-A167 VanDerWaalsContact C-N 3.31Å; W165-A167 PolarHBondContact O-N 2.92Å; A167-S169 VanDerWaalsContact C-N 3.35Å; A167-S169 PolarHBondContact O-N 3.21Å; A167-R170 PolarHBondContact O-N 2.67Å; A167-R170 VanDerWaalsContact O-N 3.14Å; A167-E171 WeakPolarHBondContact O-CB 3.35Å; A167-E171 PolarHBondContact O-N 2.92Å; A167-R191 HydrophobicContact CB-CG 4.46Å; A167-C195 HydrophobicContact CB-CB 4.43Å
168I95.9Very high95.1Very high69 Ų6977.8 Ų77.835%0.35439%0.392SS..Hα-helixtrans-56.4-46.1177.3-66.5166.4000111.2E164 W165 R170 E171 T172 T192E164-I168 HydrophobicContact CG-CD1 3.95Å; E164-I168 WeakPolarHBondContact O-CG1 3.45Å; E164-I168 PolarHBondContact O-N 3.06Å; W165-I168 PolarHBondContact O-N 2.61Å; I168-R170 PolarHBondContact O-N 3.16Å; I168-E171 PolarHBondContact O-N 3.48Å; I168-T172 WeakPolarHBondContact O-CB 3.45Å; I168-T172 PolarHBondContact O-N 2.99Å; I168-T172 PolarHBondContact O-OG1 2.85Å; I168-T192 HydrophobicContact CG1-CG2 3.57Å
169S96.1Very high94.8Very high35 Ų3577 Ų7725%0.24540%0.398CS..Hα-helixtrans-61.9-44.2177.2-61.60000111.9W165 A167 T172 H173W165-S169 PolarHBondContact O-N 3.12Å; W165-S169 PolarHBondContact O-OG 3.31Å; A167-S169 VanDerWaalsContact C-N 3.35Å; A167-S169 PolarHBondContact O-N 3.21Å; S169-T172 PolarHBondContact O-N 3Å; S169-H173 PolarHBondContact O-CD2 2.94Å; S169-H173 PolarHBondContact O-N 3.34Å
170R93.8Very high94.4Very high137 Ų13776.3 Ų76.352%0.51739%0.394SS..Hα-helixtrans-65.6-40.7178.8-73.4172.4-177.6-164.50.9112.4T166 A167 I168 A174 F188T166-R170 WeakPolarHBondContact O-CD 3.4Å; T166-R170 VanDerWaalsContact O-CG 3.24Å; T166-R170 WeakPolarHBondContact O-CG 3.28Å; T166-R170 PolarHBondContact O-N 3.4Å; A167-R170 PolarHBondContact O-N 2.67Å; A167-R170 VanDerWaalsContact O-N 3.14Å; I168-R170 PolarHBondContact O-N 3.16Å; R170-A174 WeakPolarHBondContact O-CB 3.4Å; R170-A174 PolarHBondContact O-N 3.25Å; R170-F188 HydrophobicContact CB-CD1 4.2Å; R170-F188 HydrophobicContact CB-CE1 4.25Å
171E94.8Very high94.1Very high14 Ų1478.1 Ų78.17%0.06541%0.405CS..Hα-helixtrans-63.4-42.9173.3-173.5-172.5178.100111.7A167 I168 A174 K175 F188 T189 T192A167-E171 WeakPolarHBondContact O-CB 3.35Å; A167-E171 PolarHBondContact O-N 2.92Å; I168-E171 PolarHBondContact O-N 3.48Å; E171-A174 PolarHBondContact O-N 3.14Å; E171-K175 HydrophobicContact CG-CD 4.25Å; E171-K175 WeakPolarHBondContact O-CB 3.32Å; E171-K175 WeakPolarHBondContact O-CG 3.37Å; E171-K175 PolarHBondContact O-N 3Å; E171-K175 WeakPolarHBondContact OE1-CE 3.42Å; E171-K175 IonicContact OE1-NZ 2.69Å; E171-K175 PolarHBondContact OE1-NZ 2.66Å; E171-F188 HydrophobicContact CB-CB 3.88Å; E171-F188 HydrophobicContact CG-CB 3.97Å; E171-T189 VanDerWaalsContact OE1-CA 3.31Å; E171-T189 WeakPolarHBondContact OE1-CA 3.29Å; E171-T189 VanDerWaalsContact OE1-CB 3.27Å; E171-T189 WeakPolarHBondContact OE1-CB 3.49Å; E171-T189 WeakPolarHBondContact OE1-CG2 3.4Å; E171-T189 PolarHBondContact OE1-OG1 3.18Å; E171-T192 WeakPolarHBondContact OE2-CB 3.46Å; E171-T192 WeakPolarHBondContact OE2-CG2 3.48Å; E171-T192 PolarHBondContact OE2-OG1 2.79Å
172T94.2Very high93.6Very high83 Ų8381.4 Ų81.451%0.50942%0.422SS..Hα-helixtrans-62.3-44.6178.2-55.90000111I168 S169 K175 A176I168-T172 WeakPolarHBondContact O-CB 3.45Å; I168-T172 PolarHBondContact O-N 2.99Å; I168-T172 PolarHBondContact O-OG1 2.85Å; S169-T172 PolarHBondContact O-N 3Å; T172-K175 PolarHBondContact O-N 3.41Å; T172-A176 PolarHBondContact O-N 3.13Å
173H94Very high93.2Very high142 Ų14280.7 Ų80.766%0.65742%0.421SS*.Hα-helixtrans-63.4-43.8172.8-72.1-62.6000112.2S169 K175 A176 D177S169-H173 PolarHBondContact O-CD2 2.94Å; S169-H173 PolarHBondContact O-N 3.34Å; H173-K175 VanDerWaalsContact C-N 3.3Å; H173-K175 PolarHBondContact O-N 2.66Å; H173-A176 PolarHBondContact O-N 2.94Å; H173-D177 WeakPolarHBondContact O-CB 3.44Å; H173-D177 PolarHBondContact O-N 3.08Å; H173-D177 VanDerWaalsContact O-N 3.1Å
174A92Very high92.7Very high6 Ų679.6 Ų79.65%0.0542%0.415CS..Hα-helixtrans-65.5-29.8178.800000113.5R170 E171 A176 K180 V185 F188R170-A174 WeakPolarHBondContact O-CB 3.4Å; R170-A174 PolarHBondContact O-N 3.25Å; E171-A174 PolarHBondContact O-N 3.14Å; A174-A176 VanDerWaalsContact C-N 3.34Å; A174-K180 HydrophobicContact CB-CG 4.43Å; A174-V185 WeakPolarHBondContact O-CG2 3.49Å; A174-F188 HydrophobicContact CB-CD2 3.38Å; A174-F188 HydrophobicContact CB-CE2 3.65Å; A174-F188 HydrophobicContact CB-CG 4.12Å
175K91.8Very high92.4Very high128 Ų12880.4 Ų80.456%0.55742%0.421SS*.Hα-helixtrans-73.8-22.8171.9-75.1174.6-178.41710113.4E171 T172 H173 V185E171-K175 HydrophobicContact CG-CD 4.25Å; E171-K175 WeakPolarHBondContact O-CB 3.32Å; E171-K175 WeakPolarHBondContact O-CG 3.37Å; E171-K175 PolarHBondContact O-N 3Å; E171-K175 WeakPolarHBondContact OE1-CE 3.42Å; E171-K175 IonicContact OE1-NZ 2.69Å; E171-K175 PolarHBondContact OE1-NZ 2.66Å; T172-K175 PolarHBondContact O-N 3.41Å; H173-K175 VanDerWaalsContact C-N 3.3Å; H173-K175 PolarHBondContact O-N 2.66Å; K175-V185 HydrophobicContact CG-CG1 3.66Å
176A91.9Very high92.2Very high80 Ų8079.4 Ų79.466%0.66142%0.417SS*.Hα-helixtrans-96.1-6.9-179.500000113.8T172 H173 A174 P178T172-A176 PolarHBondContact O-N 3.13Å; H173-A176 PolarHBondContact O-N 2.94Å; A174-A176 VanDerWaalsContact C-N 3.34Å; A176-P178 WeakPolarHBondContact O-CD 3.13Å
177D91.4Very high92.1Very high63 Ų6383.4 Ų83.434%0.33743%0.43SS..  trans-98.7108.1-178.2176.3-0.6000110.7H173 S179 K180H173-D177 WeakPolarHBondContact O-CB 3.44Å; H173-D177 PolarHBondContact O-N 3.08Å; H173-D177 VanDerWaalsContact O-N 3.1Å; D177-S179 PolarHBondContact O-N 3.02Å; D177-S179 VanDerWaalsContact O-N 3.09Å; D177-S179 VanDerWaalsContact OD1-CB 3.27Å; D177-S179 WeakPolarHBondContact OD1-CB 3.29Å; D177-S179 PolarHBondContact OD1-N 3.13Å; D177-S179 PolarHBondContact OD1-OG 3.26Å; D177-S179 PolarHBondContact OD2-OG 2.99Å; D177-S179 VanDerWaalsContact OD2-OG 3.12Å; D177-K180 HydrophobicContact CB-CG 3.94Å; D177-K180 PolarHBondContact O-N 3.29Å; D177-K180 VanDerWaalsContact O-N 3.08Å
178P88.3Confident91.9Very high137 Ų13786.2 Ų86.289%0.8944%0.442SS*.THydrogen-bonded Turntrans-65.5-11.3-179.2-20.934.1000114.6A176 K180A176-P178 WeakPolarHBondContact O-CD 3.13Å; P178-K180 VanDerWaalsContact C-N 3.28Å
179S90.5Very high91.8Very high91 Ų9184.6 Ų84.664%0.63644%0.436SS*.THydrogen-bonded Turntrans-79.3-9.9174.677.50000113.2D177D177-S179 PolarHBondContact O-N 3.02Å; D177-S179 VanDerWaalsContact O-N 3.09Å; D177-S179 VanDerWaalsContact OD1-CB 3.27Å; D177-S179 WeakPolarHBondContact OD1-CB 3.29Å; D177-S179 PolarHBondContact OD1-N 3.13Å; D177-S179 PolarHBondContact OD1-OG 3.26Å; D177-S179 PolarHBondContact OD2-OG 2.99Å; D177-S179 VanDerWaalsContact OD2-OG 3.12Å
180K90.1Very high91.8Very high76 Ų7687.4 Ų87.433%0.3345%0.451SS..SBendtrans-85130-177.4-66.3-46.2-168.4179.50113.9A174 D177 P178 E184 V185A174-K180 HydrophobicContact CB-CG 4.43Å; D177-K180 HydrophobicContact CB-CG 3.94Å; D177-K180 PolarHBondContact O-N 3.29Å; D177-K180 VanDerWaalsContact O-N 3.08Å; P178-K180 VanDerWaalsContact C-N 3.28Å; K180-E184 WeakPolarHBondContact CD-OE1 3.48Å; K180-E184 WeakPolarHBondContact CE-OE1 3.28Å; K180-E184 IonicContact NZ-OE1 3.67Å; K180-E184 PolarHBondContact NZ-OE1 3.27Å; K180-V185 HydrophobicContact CB-CG2 4.17Å
181S91.1Very high91.8Very high55 Ų5586.4 Ų86.439%0.38545%0.447SS..  trans-66.4148.917364.50000111.1E183 E184 V185S181-E183 PolarHBondContact O-N 2.82Å; S181-E183 VanDerWaalsContact O-N 3.09Å; S181-E184 WeakPolarHBondContact CB-OE2 3.41Å; S181-E184 PolarHBondContact N-OE2 2.86Å; S181-E184 PolarHBondContact O-N 2.98Å; S181-E184 VanDerWaalsContact O-N 3.08Å; S181-E184 WeakPolarHBondContact OG-CB 3.41Å; S181-E184 VanDerWaalsContact OG-CG 3.27Å; S181-E184 WeakPolarHBondContact OG-CG 3.39Å; S181-E184 PolarHBondContact OG-N 3.03Å; S181-E184 PolarHBondContact OG-OE2 3.28Å; S181-V185 PolarHBondContact O-N 2.81Å; S181-V185 VanDerWaalsContact O-N 3.09Å
182Q87.6Confident91.8Very high142 Ų14286.7 Ų86.766%0.66445%0.45SS*.Hα-helixtrans-59.7-24176.7-158.4-174.638.100112.3R186Q182-R186 VanDerWaalsContact O-CG 3.26Å; Q182-R186 WeakPolarHBondContact O-CG 3.27Å; Q182-R186 PolarHBondContact O-N 3.09Å; Q182-R186 VanDerWaalsContact O-N 3.17Å
183E89.8Confident91.9Very high117 Ų11787.7 Ų87.755%0.54745%0.449SS..Hα-helixtrans-76.1-40.5175.2-159.7-166.211900112.7S181 R186 K187S181-E183 PolarHBondContact O-N 2.82Å; S181-E183 VanDerWaalsContact O-N 3.09Å; E183-R186 PolarHBondContact O-N 2.72Å; E183-K187 WeakPolarHBondContact O-CG 3.36Å; E183-K187 PolarHBondContact O-N 2.99Å; E183-K187 VanDerWaalsContact OE1-CE 3.24Å; E183-K187 WeakPolarHBondContact OE1-CE 3.38Å; E183-K187 IonicContact OE1-NZ 3.75Å; E183-K187 PolarHBondContact OE1-NZ 3.34Å
184E87.1Confident92Very high60 Ų6087 Ų8728%0.2844%0.44SS..Hα-helixtrans-60.2-45.3170.8-77.4166.3101.500111.3K180 S181 R186 K187 F188K180-E184 WeakPolarHBondContact CD-OE1 3.48Å; K180-E184 WeakPolarHBondContact CE-OE1 3.28Å; K180-E184 IonicContact NZ-OE1 3.67Å; K180-E184 PolarHBondContact NZ-OE1 3.27Å; S181-E184 WeakPolarHBondContact CB-OE2 3.41Å; S181-E184 PolarHBondContact N-OE2 2.86Å; S181-E184 PolarHBondContact O-N 2.98Å; S181-E184 VanDerWaalsContact O-N 3.08Å; S181-E184 WeakPolarHBondContact OG-CB 3.41Å; S181-E184 VanDerWaalsContact OG-CG 3.27Å; S181-E184 WeakPolarHBondContact OG-CG 3.39Å; S181-E184 PolarHBondContact OG-N 3.03Å; S181-E184 PolarHBondContact OG-OE2 3.28Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.47Å; E184-K187 WeakPolarHBondContact O-CB 3.46Å; E184-K187 PolarHBondContact O-N 2.94Å; E184-K187 VanDerWaalsContact O-N 3.09Å; E184-F188 WeakPolarHBondContact O-CD2 3.46Å; E184-F188 PolarHBondContact O-N 2.86Å
185V90Very high92.2Very high29 Ų2986.8 Ų86.818%0.17644%0.438CS..Hα-helixtrans-58.4-46.3177.4176.80000110.8A174 K175 K180 S181 K187 F188 T189A174-V185 WeakPolarHBondContact O-CG2 3.49Å; K175-V185 HydrophobicContact CG-CG1 3.66Å; K180-V185 HydrophobicContact CB-CG2 4.17Å; S181-V185 PolarHBondContact O-N 2.81Å; S181-V185 VanDerWaalsContact O-N 3.09Å; V185-K187 VanDerWaalsContact C-N 3.33Å; V185-K187 PolarHBondContact O-N 2.6Å; V185-F188 PolarHBondContact O-N 3.22Å; V185-F188 VanDerWaalsContact O-N 3.12Å; V185-T189 PolarHBondContact O-N 3.29Å; V185-T189 PolarHBondContact O-OG1 3.21Å
186R92.9Very high92.5Very high151 Ų15183.9 Ų83.957%0.5743%0.429SS*.Hα-helixtrans-59.5-39.7174.3-73171.4-170.6-176.67.3112.5Q182 E183 E184 F188 T189 V190Q182-R186 VanDerWaalsContact O-CG 3.26Å; Q182-R186 WeakPolarHBondContact O-CG 3.27Å; Q182-R186 PolarHBondContact O-N 3.09Å; Q182-R186 VanDerWaalsContact O-N 3.17Å; E183-R186 PolarHBondContact O-N 2.72Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.47Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 2.96Å; R186-T189 PolarHBondContact O-N 3.49Å; R186-V190 WeakPolarHBondContact O-CG2 3.39Å; R186-V190 PolarHBondContact O-N 3.41Å
187K94Very high92.7Very high131 Ų13185 Ų8557%0.5742%0.421SS*.Hα-helixtrans-63.2-32.8175.7-76162.1168.3167.40112.5E183 E184 V185 R191E183-K187 WeakPolarHBondContact O-CG 3.36Å; E183-K187 PolarHBondContact O-N 2.99Å; E183-K187 VanDerWaalsContact OE1-CE 3.24Å; E183-K187 WeakPolarHBondContact OE1-CE 3.38Å; E183-K187 IonicContact OE1-NZ 3.75Å; E183-K187 PolarHBondContact OE1-NZ 3.34Å; E184-K187 WeakPolarHBondContact O-CB 3.46Å; E184-K187 PolarHBondContact O-N 2.94Å; E184-K187 VanDerWaalsContact O-N 3.09Å; V185-K187 VanDerWaalsContact C-N 3.33Å; V185-K187 PolarHBondContact O-N 2.6Å; K187-R191 PolarHBondContact O-N 3.22Å
188F93.5Very high93Very high64 Ų6485.7 Ų85.728%0.28142%0.422SS..Hα-helixtrans-72.4-44.7171.1-70-69.4000112.3R170 E171 A174 E184 V185 R186 V190 R191 T192R170-F188 HydrophobicContact CB-CD1 4.2Å; R170-F188 HydrophobicContact CB-CE1 4.25Å; E171-F188 HydrophobicContact CB-CB 3.88Å; E171-F188 HydrophobicContact CG-CB 3.97Å; A174-F188 HydrophobicContact CB-CD2 3.38Å; A174-F188 HydrophobicContact CB-CE2 3.65Å; A174-F188 HydrophobicContact CB-CG 4.12Å; E184-F188 WeakPolarHBondContact O-CD2 3.46Å; E184-F188 PolarHBondContact O-N 2.86Å; V185-F188 PolarHBondContact O-N 3.22Å; V185-F188 VanDerWaalsContact O-N 3.12Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 2.96Å; F188-V190 PolarHBondContact O-N 2.83Å; F188-R191 WeakPolarHBondContact O-CA 3.4Å; F188-R191 WeakPolarHBondContact O-CB 3.46Å; F188-R191 PolarHBondContact O-N 2.95Å; F188-T192 PolarHBondContact O-N 3.47Å; F188-T192 PolarHBondContact O-OG1 3.48Å
189T93Very high93.4Very high36 Ų3679.2 Ų79.222%0.22138%0.379CS..Hα-helixtrans-56.9-49.4176.3-55.40000112.6E171 V185 R186 R191 T192 E193E171-T189 VanDerWaalsContact OE1-CA 3.31Å; E171-T189 WeakPolarHBondContact OE1-CA 3.29Å; E171-T189 VanDerWaalsContact OE1-CB 3.27Å; E171-T189 WeakPolarHBondContact OE1-CB 3.49Å; E171-T189 WeakPolarHBondContact OE1-CG2 3.4Å; E171-T189 PolarHBondContact OE1-OG1 3.18Å; V185-T189 PolarHBondContact O-N 3.29Å; V185-T189 PolarHBondContact O-OG1 3.21Å; R186-T189 PolarHBondContact O-N 3.49Å; T189-R191 PolarHBondContact O-N 3.38Å; T189-T192 WeakPolarHBondContact O-CB 3.36Å; T189-T192 PolarHBondContact O-N 3.11Å; T189-E193 WeakPolarHBondContact O-CG 3.19Å; T189-E193 PolarHBondContact O-N 3.07Å
190V95.4Very high93.8Very high93 Ų9378 Ų7856%0.56436%0.364SS*.Hα-helixtrans-61-31176.9172.40000111.8R186 F188 R194R186-V190 WeakPolarHBondContact O-CG2 3.39Å; R186-V190 PolarHBondContact O-N 3.41Å; F188-V190 PolarHBondContact O-N 2.83Å; V190-R194 WeakPolarHBondContact O-CB 3.38Å; V190-R194 PolarHBondContact O-N 2.98Å; V190-R194 VanDerWaalsContact O-N 3.16Å
191R94.5Very high94.2Very high117 Ų11779.2 Ų79.244%0.44237%0.369SS..Hα-helixtrans-71.1-42.3173.8-174.2177.2-178.5126.17.1112A167 K187 F188 T189 R194 C195A167-R191 HydrophobicContact CB-CG 4.46Å; K187-R191 PolarHBondContact O-N 3.22Å; F188-R191 WeakPolarHBondContact O-CA 3.4Å; F188-R191 WeakPolarHBondContact O-CB 3.46Å; F188-R191 PolarHBondContact O-N 2.95Å; T189-R191 PolarHBondContact O-N 3.38Å; R191-R194 PolarHBondContact O-N 3.46Å; R191-C195 PolarHBondContact O-N 2.91Å; R191-C195 PolarHBondContact O-SG 3.46Å
192T95.6Very high94.5Very high19 Ų1977.1 Ų77.112%0.11736%0.355CS..Hα-helixtrans-59-49.8174.9-64.20000111.2I168 E171 F188 T189 R194 C195 N196I168-T192 HydrophobicContact CG1-CG2 3.57Å; E171-T192 WeakPolarHBondContact OE2-CB 3.46Å; E171-T192 WeakPolarHBondContact OE2-CG2 3.48Å; E171-T192 PolarHBondContact OE2-OG1 2.79Å; F188-T192 PolarHBondContact O-N 3.47Å; F188-T192 PolarHBondContact O-OG1 3.48Å; T189-T192 WeakPolarHBondContact O-CB 3.36Å; T189-T192 PolarHBondContact O-N 3.11Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 3.24Å; T192-C195 PolarHBondContact O-N 3.07Å; T192-N196 WeakPolarHBondContact O-CB 3.44Å; T192-N196 PolarHBondContact O-N 3.36Å
193E95.9Very high95Very high105 Ų10574.3 Ų74.349%0.49134%0.341SS..Hα-helixtrans-56.6-43.4177.2-70.6172.3-178.400111.9T189 N196 Q197T189-E193 WeakPolarHBondContact O-CG 3.19Å; T189-E193 PolarHBondContact O-N 3.07Å; E193-N196 PolarHBondContact O-N 2.95Å; E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 3.25Å
194R96.3Very high95.4Very high127 Ų12775 Ų7548%0.47934%0.344SS..Hα-helixtrans-64.3-46.5177.4-158.4-165.678.3-161.60.4112.1V190 R191 T192 N196 Q197 E198V190-R194 WeakPolarHBondContact O-CB 3.38Å; V190-R194 PolarHBondContact O-N 2.98Å; V190-R194 VanDerWaalsContact O-N 3.16Å; R191-R194 PolarHBondContact O-N 3.46Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 3.24Å; R194-N196 VanDerWaalsContact C-N 3.32Å; R194-N196 PolarHBondContact O-N 3.16Å; R194-Q197 PolarHBondContact O-N 2.69Å; R194-E198 WeakPolarHBondContact CD-OE1 3.24Å; R194-E198 IonicContact CZ-OE1 2.92Å; R194-E198 IonicContact NE-OE1 3.71Å; R194-E198 PolarHBondContact NE-OE1 3.45Å; R194-E198 IonicContact NE-OE2 3.25Å; R194-E198 IonicContact NH2-OE1 2.61Å; R194-E198 IonicContact NH2-OE2 2.67Å; R194-E198 VanDerWaalsContact O-CG 3.26Å; R194-E198 WeakPolarHBondContact O-CG 3.44Å; R194-E198 PolarHBondContact O-N 2.83Å
195C96.5Very high95.9Very high1 Ų180.7 Ų80.71%0.00736%0.363CS..Hα-helixtrans-68.6-30.3179.8-680000112.7E164 A167 R191 T192 E198 A199E164-C195 HydrophobicContact CB-CB 4.17Å; A167-C195 HydrophobicContact CB-CB 4.43Å; R191-C195 PolarHBondContact O-N 2.91Å; R191-C195 PolarHBondContact O-SG 3.46Å; T192-C195 PolarHBondContact O-N 3.07Å; C195-E198 WeakPolarHBondContact CA-OE2 3.39Å; C195-E198 PolarHBondContact O-N 3.41Å; C195-E198 PolarHBondContact SG-OE2 3.16Å; C195-E198 VanDerWaalsContact SG-OE2 3.38Å; C195-A199 WeakPolarHBondContact O-CB 3.49Å; C195-A199 PolarHBondContact O-N 3.43Å
196N96.7Very high96.3Very high67 Ų6781.6 Ų81.636%0.35836%0.363SS..Hα-helixtrans-63.9-47.2169.4174.7-99.4000111.8E164 T192 E193 R194 E198 A199 E200E164-N196 HydrophobicContact CG-CB 4.35Å; E164-N196 PolarHBondContact OE1-ND2 3.16Å; T192-N196 WeakPolarHBondContact O-CB 3.44Å; T192-N196 PolarHBondContact O-N 3.36Å; E193-N196 PolarHBondContact O-N 2.95Å; R194-N196 VanDerWaalsContact C-N 3.32Å; R194-N196 PolarHBondContact O-N 3.16Å; N196-E198 VanDerWaalsContact C-N 3.31Å; N196-E198 PolarHBondContact O-N 3.18Å; N196-A199 PolarHBondContact O-N 3.14Å; N196-A199 VanDerWaalsContact O-N 3.17Å; N196-E200 PolarHBondContact O-N 3.37Å
197Q97.1Very high96.6Very high105 Ų10577.1 Ų77.149%0.49136%0.358SS..Hα-helixtrans-62.9-36.1174.6-69.1179.829.600112.8E193 R194 K201E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 3.25Å; R194-Q197 PolarHBondContact O-N 2.69Å; Q197-K201 WeakPolarHBondContact O-CB 3.48Å; Q197-K201 VanDerWaalsContact O-CD 3.31Å; Q197-K201 WeakPolarHBondContact O-CD 3.26Å; Q197-K201 WeakPolarHBondContact O-CG 3.42Å; Q197-K201 PolarHBondContact O-N 2.86Å; Q197-K201 VanDerWaalsContact O-N 3.13Å
198E97Very high96.8Very high77 Ų7776.7 Ų76.736%0.3636%0.356SS..Hα-helixtrans-65-39.9174.2-72.2160.8171.500110.9R194 C195 N196 A202R194-E198 WeakPolarHBondContact CD-OE1 3.24Å; R194-E198 IonicContact CZ-OE1 2.92Å; R194-E198 IonicContact NE-OE1 3.71Å; R194-E198 PolarHBondContact NE-OE1 3.45Å; R194-E198 IonicContact NE-OE2 3.25Å; R194-E198 IonicContact NH2-OE1 2.61Å; R194-E198 IonicContact NH2-OE2 2.67Å; R194-E198 VanDerWaalsContact O-CG 3.26Å; R194-E198 WeakPolarHBondContact O-CG 3.44Å; R194-E198 PolarHBondContact O-N 2.83Å; C195-E198 WeakPolarHBondContact CA-OE2 3.39Å; C195-E198 PolarHBondContact O-N 3.41Å; C195-E198 PolarHBondContact SG-OE2 3.16Å; C195-E198 VanDerWaalsContact SG-OE2 3.38Å; N196-E198 VanDerWaalsContact C-N 3.31Å; N196-E198 PolarHBondContact O-N 3.18Å; E198-A202 WeakPolarHBondContact O-CB 3.26Å; E198-A202 PolarHBondContact O-N 3.02Å; E198-A202 VanDerWaalsContact O-N 3.08Å
199A97.7Very high97Very high0 Ų074.2 Ų74.20%035%0.348CS..Hα-helixtrans-69.7-43.6177.400000113.8A160 K161 C195 N196 A202 K203A160-A199 HydrophobicContact CB-CB 3.99Å; K161-A199 HydrophobicContact CD-CB 3.87Å; C195-A199 WeakPolarHBondContact O-CB 3.49Å; C195-A199 PolarHBondContact O-N 3.43Å; N196-A199 PolarHBondContact O-N 3.14Å; N196-A199 VanDerWaalsContact O-N 3.17Å; A199-A202 PolarHBondContact O-N 3.17Å; A199-K203 WeakPolarHBondContact O-CB 3.48Å; A199-K203 PolarHBondContact O-N 3.39Å
200E97.8Very high97.3Very high66 Ų6675.1 Ų75.131%0.30835%0.351SS..Hα-helixtrans-66.4-39.6176.1-71.6-66.6128.700111.5N196 A202 K203 E204N196-E200 PolarHBondContact O-N 3.37Å; E200-A202 VanDerWaalsContact C-N 3.26Å; E200-A202 PolarHBondContact O-N 2.96Å; E200-K203 WeakPolarHBondContact O-CB 3.24Å; E200-K203 PolarHBondContact O-N 3.28Å; E200-K203 VanDerWaalsContact O-N 3.13Å; E200-K203 VanDerWaalsContact OE1-CD 3.26Å; E200-K203 WeakPolarHBondContact OE1-CD 3.36Å; E200-K203 IonicContact OE1-NZ 3.79Å; E200-K203 PolarHBondContact OE1-NZ 3.39Å; E200-K203 WeakPolarHBondContact OE2-CD 3.42Å; E200-K203 IonicContact OE2-NZ 2.65Å; E200-K203 PolarHBondContact OE2-NZ 3.3Å; E200-E204 WeakPolarHBondContact O-CG 3.4Å; E200-E204 PolarHBondContact O-N 3.07Å
201K97.9Very high97.4Very high102 Ų10275.8 Ų75.844%0.44335%0.348SS..Hα-helixtrans-62.4-30.8171.5-72.1165.2-1711600113Q197 R205Q197-K201 WeakPolarHBondContact O-CB 3.48Å; Q197-K201 VanDerWaalsContact O-CD 3.31Å; Q197-K201 WeakPolarHBondContact O-CD 3.26Å; Q197-K201 WeakPolarHBondContact O-CG 3.42Å; Q197-K201 PolarHBondContact O-N 2.86Å; Q197-K201 VanDerWaalsContact O-N 3.13Å; K201-R205 WeakPolarHBondContact O-CD 3.3Å; K201-R205 VanDerWaalsContact O-CG 3.26Å; K201-R205 WeakPolarHBondContact O-CG 3.4Å; K201-R205 PolarHBondContact O-N 3.22Å
202A98Very high97.5Very high10 Ų1072.8 Ų72.88%0.08334%0.339CS..Hα-helixtrans-75.3-36.4173.800000112.2Y157 A160 E198 A199 E200 R205 Y206Y157-A202 HydrophobicContact CD2-CB 4.39Å; A160-A202 HydrophobicContact CB-CB 4.15Å; E198-A202 WeakPolarHBondContact O-CB 3.26Å; E198-A202 PolarHBondContact O-N 3.02Å; E198-A202 VanDerWaalsContact O-N 3.08Å; A199-A202 PolarHBondContact O-N 3.17Å; E200-A202 VanDerWaalsContact C-N 3.26Å; E200-A202 PolarHBondContact O-N 2.96Å; A202-R205 PolarHBondContact O-N 3Å; A202-Y206 PolarHBondContact O-N 2.7Å
203K98.3Very high97.6Very high84 Ų8472.5 Ų72.537%0.36534%0.337SS..Hα-helixtrans-63.8-45.1174.7-176.5180156.8-155.60112.1Y157 A199 E200 R205 Y206 A207Y157-K203 HydrophobicContact CD2-CB 3.67Å; Y157-K203 HydrophobicContact CD2-CG 4.43Å; Y157-K203 HydrophobicContact CE2-CB 3.55Å; Y157-K203 HydrophobicContact CE2-CD 4.13Å; Y157-K203 HydrophobicContact CE2-CG 3.94Å; A199-K203 WeakPolarHBondContact O-CB 3.48Å; A199-K203 PolarHBondContact O-N 3.39Å; E200-K203 WeakPolarHBondContact O-CB 3.24Å; E200-K203 PolarHBondContact O-N 3.28Å; E200-K203 VanDerWaalsContact O-N 3.13Å; E200-K203 VanDerWaalsContact OE1-CD 3.26Å; E200-K203 WeakPolarHBondContact OE1-CD 3.36Å; E200-K203 IonicContact OE1-NZ 3.79Å; E200-K203 PolarHBondContact OE1-NZ 3.39Å; E200-K203 WeakPolarHBondContact OE2-CD 3.42Å; E200-K203 IonicContact OE2-NZ 2.65Å; E200-K203 PolarHBondContact OE2-NZ 3.3Å; K203-R205 VanDerWaalsContact C-N 3.33Å; K203-R205 PolarHBondContact O-N 3.4Å; K203-Y206 PolarHBondContact O-N 2.73Å; K203-A207 WeakPolarHBondContact O-CB 3.39Å; K203-A207 PolarHBondContact O-N 2.92Å
204E98.3Very high97.7Very high131 Ų13172 Ų7261%0.61234%0.338SS*.Hα-helixtrans-56.3-46173.3-73.2173.5164.500111.7E200 A207 K208E200-E204 WeakPolarHBondContact O-CG 3.4Å; E200-E204 PolarHBondContact O-N 3.07Å; E204-A207 PolarHBondContact O-N 3.45Å; E204-K208 WeakPolarHBondContact O-CB 3.42Å; E204-K208 PolarHBondContact O-N 3.3Å
205R98.1Very high97.8Very high180 Ų18074 Ų7468%0.67935%0.345SS*.Hα-helixtrans-63.2-41.7177.5-68.9167.6-173.7-173.71112.1K201 A202 K203 A209K201-R205 WeakPolarHBondContact O-CD 3.3Å; K201-R205 VanDerWaalsContact O-CG 3.26Å; K201-R205 WeakPolarHBondContact O-CG 3.4Å; K201-R205 PolarHBondContact O-N 3.22Å; A202-R205 PolarHBondContact O-N 3Å; K203-R205 VanDerWaalsContact C-N 3.33Å; K203-R205 PolarHBondContact O-N 3.4Å; R205-A209 WeakPolarHBondContact O-CB 3.4Å; R205-A209 PolarHBondContact O-N 3.18Å
206Y98.6Very high97.7Very high48 Ų4876.1 Ų76.119%0.18836%0.36CS..Hα-helixtrans-67.7-43.7177.1175.9-130.1000112.1V150 K154 Y157 A202 K203 A209 L210V150-Y206 HydrophobicContact CG1-CD2 4.48Å; V150-Y206 HydrophobicContact CG1-CE2 3.89Å; K154-Y206 HydrophobicContact CB-CD2 3.83Å; K154-Y206 HydrophobicContact CB-CE2 3.46Å; K154-Y206 VanDerWaalsContact CB-CE2 3.46Å; K154-Y206 HydrophobicContact CD-CE2 4.22Å; K154-Y206 HydrophobicContact CG-CE2 3.89Å; Y157-Y206 HydrophobicContact CD1-CD1 4.01Å; Y157-Y206 HydrophobicContact CD1-CE1 4.47Å; A202-Y206 PolarHBondContact O-N 2.7Å; K203-Y206 PolarHBondContact O-N 2.73Å; Y206-A209 PolarHBondContact O-N 3.05Å; Y206-L210 HydrophobicContact CD1-CD1 4.34Å; Y206-L210 HydrophobicContact CD2-CD1 4.25Å; Y206-L210 HydrophobicContact CD2-CG 4.31Å; Y206-L210 HydrophobicContact CE1-CD1 3.94Å; Y206-L210 HydrophobicContact CE2-CD1 3.84Å; Y206-L210 HydrophobicContact CE2-CD2 4.32Å; Y206-L210 HydrophobicContact CE2-CG 3.97Å; Y206-L210 HydrophobicContact CG-CD1 4.49Å; Y206-L210 WeakPolarHBondContact O-CG 3.48Å; Y206-L210 PolarHBondContact O-N 3.49Å
207A98.5Very high97.7Very high56 Ų5675.2 Ų75.246%0.46336%0.355SS..Hα-helixtrans-61-44.2174.800000112K203 E204 L210 E211K203-A207 WeakPolarHBondContact O-CB 3.39Å; K203-A207 PolarHBondContact O-N 2.92Å; E204-A207 PolarHBondContact O-N 3.45Å; A207-L210 WeakPolarHBondContact O-CB 3.18Å; A207-L210 PolarHBondContact O-N 3.4Å; A207-E211 PolarHBondContact O-N 2.87Å
208K98.2Very high97.8Very high122 Ų12274.5 Ų74.553%0.5336%0.359SS..Hα-helixtrans-63.4-41.4174.8179.1171.5173.1173.20112.5E204 L210 E211 E212E204-K208 WeakPolarHBondContact O-CB 3.42Å; E204-K208 PolarHBondContact O-N 3.3Å; K208-L210 VanDerWaalsContact C-N 3.32Å; K208-L210 PolarHBondContact O-N 3.21Å; K208-E211 PolarHBondContact O-N 3.16Å; K208-E212 WeakPolarHBondContact CE-OE1 3.35Å; K208-E212 IonicContact NZ-OE1 3.61Å; K208-E212 WeakPolarHBondContact O-CG 3.34Å; K208-E212 PolarHBondContact O-N 2.88Å
209A98.3Very high97.8Very high13 Ų1376.5 Ų76.511%0.10736%0.363CS..Hα-helixtrans-62.4-40.117600000111.7V150 S153 R205 Y206 E212 L213V150-A209 HydrophobicContact CG2-CB 3.77Å; V150-A209 VanDerWaalsContact CG2-O 3.23Å; V150-A209 WeakPolarHBondContact CG2-O 3.45Å; S153-A209 WeakPolarHBondContact OG-CB 3.49Å; R205-A209 WeakPolarHBondContact O-CB 3.4Å; R205-A209 PolarHBondContact O-N 3.18Å; Y206-A209 PolarHBondContact O-N 3.05Å; A209-E212 PolarHBondContact O-N 2.58Å; A209-L213 WeakPolarHBondContact O-CB 3.34Å; A209-L213 PolarHBondContact O-N 3.22Å
210L98.4Very high97.9Very high55 Ų5577.1 Ų77.129%0.28837%0.366SS..Hα-helixtrans-64.3-41173.8-74.9168.8000112.1V150 Y206 A207 K208 L213 N214V150-L210 HydrophobicContact CG1-CD2 3.58Å; V150-L210 HydrophobicContact CG1-CG 4.17Å; V150-L210 HydrophobicContact CG2-CD2 4.26Å; V150-L210 HydrophobicContact CG2-CG 4.48Å; Y206-L210 HydrophobicContact CD1-CD1 4.34Å; Y206-L210 HydrophobicContact CD2-CD1 4.25Å; Y206-L210 HydrophobicContact CD2-CG 4.31Å; Y206-L210 HydrophobicContact CE1-CD1 3.94Å; Y206-L210 HydrophobicContact CE2-CD1 3.84Å; Y206-L210 HydrophobicContact CE2-CD2 4.32Å; Y206-L210 HydrophobicContact CE2-CG 3.97Å; Y206-L210 HydrophobicContact CG-CD1 4.49Å; Y206-L210 WeakPolarHBondContact O-CG 3.48Å; Y206-L210 PolarHBondContact O-N 3.49Å; A207-L210 WeakPolarHBondContact O-CB 3.18Å; A207-L210 PolarHBondContact O-N 3.4Å; K208-L210 VanDerWaalsContact C-N 3.32Å; K208-L210 PolarHBondContact O-N 3.21Å; L210-L213 PolarHBondContact O-N 2.76Å; L210-N214 WeakPolarHBondContact O-CB 3.48Å; L210-N214 PolarHBondContact O-N 3.32Å; L210-N214 PolarHBondContact O-ND2 3.42Å
211E98.1Very high97.9Very high106 Ų10677.8 Ų77.850%0.49537%0.37SS..Hα-helixtrans-62.8-44.9175.9-160.4-153.7150.500111.6A207 K208 N214 R215A207-E211 PolarHBondContact O-N 2.87Å; K208-E211 PolarHBondContact O-N 3.16Å; E211-N214 PolarHBondContact O-N 2.82Å; E211-R215 WeakPolarHBondContact O-CB 3.23Å; E211-R215 PolarHBondContact O-N 3.3Å; E211-R215 IonicContact OE1-CZ 3.76Å; E211-R215 IonicContact OE1-NH2 2.64Å; E211-R215 PolarHBondContact OE1-NH2 2.98Å
212E97.3Very high97.9Very high55 Ų5577.8 Ų77.826%0.25737%0.371SS..Hα-helixtrans-66.3-34.9176.8-71.4-177.2-164.500112.7K146 K208 A209 C216K146-E212 HydrophobicContact CD-CB 4.12Å; K146-E212 IonicContact NZ-OE2 3.64Å; K146-E212 PolarHBondContact NZ-OE2 3.23Å; K208-E212 WeakPolarHBondContact CE-OE1 3.35Å; K208-E212 IonicContact NZ-OE1 3.61Å; K208-E212 WeakPolarHBondContact O-CG 3.34Å; K208-E212 PolarHBondContact O-N 2.88Å; A209-E212 PolarHBondContact O-N 2.58Å; E212-C216 PolarHBondContact O-N 3.2Å; E212-C216 PolarHBondContact O-SG 2.68Å; E212-C216 VanDerWaalsContact O-SG 3.41Å
213L97.6Very high98Very high12 Ų1279.3 Ų79.36%0.06338%0.378CS..Hα-helixtrans-65.8-50.4171.7-178.865.6000110.9W143 K146 L147 V150 A209 L210 R215 C216 N217W143-L213 HydrophobicContact CD2-CD1 4.23Å; W143-L213 HydrophobicContact CG-CD1 4.13Å; W143-L213 HydrophobicContact CZ2-CD1 4.43Å; K146-L213 HydrophobicContact CB-CB 4.33Å; K146-L213 HydrophobicContact CB-CD1 3.61Å; L147-L213 HydrophobicContact CD1-CD2 4.16Å; V150-L213 HydrophobicContact CB-CD2 4.43Å; V150-L213 HydrophobicContact CG2-CB 3.91Å; V150-L213 HydrophobicContact CG2-CD2 3.89Å; V150-L213 HydrophobicContact CG2-CG 4.5Å; A209-L213 WeakPolarHBondContact O-CB 3.34Å; A209-L213 PolarHBondContact O-N 3.22Å; L210-L213 PolarHBondContact O-N 2.76Å; L213-R215 VanDerWaalsContact C-N 3.25Å; L213-R215 PolarHBondContact O-N 3.43Å; L213-C216 WeakPolarHBondContact O-CA 3.33Å; L213-C216 WeakPolarHBondContact O-CB 3.37Å; L213-C216 PolarHBondContact O-N 2.7Å; L213-N217 PolarHBondContact O-N 3.31Å; L213-N217 PolarHBondContact O-OD1 3.34Å; L213-N217 VanDerWaalsContact O-OD1 3.1Å
214N97.6Very high98Very high96 Ų9675.3 Ų75.351%0.51336%0.361SS..Hα-helixtrans-60.6-34.9-179-74.1-20.6000112.5L210 E211 C216 N217L210-N214 WeakPolarHBondContact O-CB 3.48Å; L210-N214 PolarHBondContact O-N 3.32Å; L210-N214 PolarHBondContact O-ND2 3.42Å; E211-N214 PolarHBondContact O-N 2.82Å; N214-C216 PolarHBondContact O-N 2.7Å; N214-N217 WeakPolarHBondContact O-CB 3.47Å; N214-N217 PolarHBondContact O-N 3.43Å; N214-N217 PolarHBondContact OD1-ND2 3.24Å
215R97.3Very high98Very high168 Ų16873.2 Ų73.263%0.63435%0.351SS*.Hα-helixtrans-66.3-24.3173.8-160.2-177.2-61.7161.3-0.9113.1E211 L213E211-R215 WeakPolarHBondContact O-CB 3.23Å; E211-R215 PolarHBondContact O-N 3.3Å; E211-R215 IonicContact OE1-CZ 3.76Å; E211-R215 IonicContact OE1-NH2 2.64Å; E211-R215 PolarHBondContact OE1-NH2 2.98Å; L213-R215 VanDerWaalsContact C-N 3.25Å; L213-R215 PolarHBondContact O-N 3.43Å
216C95.4Very high98Very high46 Ų4670.6 Ų70.631%0.31135%0.346SS..Hα-helixtrans-86.7-19.5174.1-690000113.7E212 L213 N214 R219 Y220E212-C216 PolarHBondContact O-N 3.2Å; E212-C216 PolarHBondContact O-SG 2.68Å; E212-C216 VanDerWaalsContact O-SG 3.41Å; L213-C216 WeakPolarHBondContact O-CA 3.33Å; L213-C216 WeakPolarHBondContact O-CB 3.37Å; L213-C216 PolarHBondContact O-N 2.7Å; N214-C216 PolarHBondContact O-N 2.7Å; C216-R219 PolarHBondContact O-N 3.19Å; C216-Y220 WeakPolarHBondContact O-CB 3.34Å; C216-Y220 PolarHBondContact O-N 3.25Å
217N97Very high98Very high48 Ų4869.4 Ų69.426%0.25734%0.344SS..Hα-helixtrans-53.7-47.1-175.3-69.1-7.7000113.9W143 L213 N214 R219 Y220 M221W143-N217 PolarHBondContact NE1-OD1 3.3Å; L213-N217 PolarHBondContact O-N 3.31Å; L213-N217 PolarHBondContact O-OD1 3.34Å; L213-N217 VanDerWaalsContact O-OD1 3.1Å; N214-N217 WeakPolarHBondContact O-CB 3.47Å; N214-N217 PolarHBondContact O-N 3.43Å; N214-N217 PolarHBondContact OD1-ND2 3.24Å; N217-R219 VanDerWaalsContact C-N 3.35Å; N217-R219 PolarHBondContact O-N 3.04Å; N217-Y220 PolarHBondContact O-N 2.91Å; N217-M221 WeakPolarHBondContact O-CG 3.44Å; N217-M221 PolarHBondContact O-N 2.61Å
218P98.4Very high98.1Very high89 Ų8970 Ų7058%0.57834%0.336SS*.Hα-helixtrans-62.5-40.6-177.1-2334.7000112.7M221 E222P218-M221 PolarHBondContact O-N 3.27Å; P218-E222 WeakPolarHBondContact O-CB 3.35Å; P218-E222 PolarHBondContact O-N 3.01Å
219R97.9Very high98.1Very high120 Ų12069.1 Ų69.145%0.45334%0.337SS..Hα-helixtrans-72.7-35.6178.8-175.661.2-166-173.814.7112.2C216 N217 M221 E222 D223C216-R219 PolarHBondContact O-N 3.19Å; N217-R219 VanDerWaalsContact C-N 3.35Å; N217-R219 PolarHBondContact O-N 3.04Å; R219-M221 VanDerWaalsContact C-N 3.32Å; R219-E222 WeakPolarHBondContact CD-OE2 3.39Å; R219-E222 IonicContact CZ-OE1 3.46Å; R219-E222 IonicContact CZ-OE2 2.79Å; R219-E222 IonicContact NE-OE2 3.51Å; R219-E222 IonicContact NH1-OE1 2.71Å; R219-E222 PolarHBondContact NH1-OE1 3Å; R219-E222 IonicContact NH1-OE2 2.74Å; R219-E222 PolarHBondContact NH1-OE2 3.45Å; R219-E222 IonicContact NH2-OE1 2.72Å; R219-E222 PolarHBondContact O-N 2.8Å; R219-D223 WeakPolarHBondContact CG-OD2 3.25Å; R219-D223 IonicContact CZ-OD1 3.69Å; R219-D223 IonicContact CZ-OD2 3.44Å; R219-D223 VanDerWaalsContact NE-CG 3.27Å; R219-D223 IonicContact NE-OD1 3.58Å; R219-D223 PolarHBondContact NE-OD1 2.9Å; R219-D223 IonicContact NE-OD2 3.98Å; R219-D223 PolarHBondContact NE-OD2 3.32Å; R219-D223 IonicContact NH2-OD1 2.76Å; R219-D223 PolarHBondContact NH2-OD1 3Å; R219-D223 IonicContact NH2-OD2 2.64Å; R219-D223 WeakPolarHBondContact O-CB 3.34Å; R219-D223 PolarHBondContact O-N 3.29Å
220Y98.4Very high98.1Very high12 Ų1274.4 Ų74.45%0.04736%0.363CS..Hα-helixtrans-59.8-43.2172169.4-129.2000111.5W17 Q140 W143 C216 N217 M224W17-Y220 HydrophobicContact CE3-CE1 4.07Å; W17-Y220 PolarHBondContact O-OH 2.8Å; Q140-Y220 HydrophobicContact CB-CE2 3.82Å; Q140-Y220 HydrophobicContact CG-CE2 3.68Å; Q140-Y220 PolarHBondContact NE2-OH 3.26Å; W143-Y220 HydrophobicContact CB-CD1 4.03Å; W143-Y220 HydrophobicContact CB-CD2 3.77Å; W143-Y220 HydrophobicContact CB-CE1 4.48Å; W143-Y220 HydrophobicContact CB-CE2 4.27Å; W143-Y220 HydrophobicContact CB-CG 3.64Å; W143-Y220 AromaticContact CD1-CD1 3.45Å; W143-Y220 VanDerWaalsContact CD1-CD1 3.45Å; W143-Y220 AromaticContact CD1-CG 3.72Å; W143-Y220 AromaticContact CD2-CD1 3.66Å; W143-Y220 HydrophobicContact CD2-CD1 3.66Å; W143-Y220 AromaticContact CD2-CE1 3.58Å; W143-Y220 HydrophobicContact CD2-CE1 3.58Å; W143-Y220 HydrophobicContact CD2-CG 4.23Å; W143-Y220 AromaticContact CE2-CD1 3.84Å; W143-Y220 AromaticContact CE2-CE1 3.84Å; W143-Y220 HydrophobicContact CE3-CD1 4.37Å; W143-Y220 AromaticContact CE3-CE1 3.85Å; W143-Y220 HydrophobicContact CE3-CE1 3.85Å; W143-Y220 AromaticContact CG-CD1 3.45Å; W143-Y220 HydrophobicContact CG-CD1 3.45Å; W143-Y220 VanDerWaalsContact CG-CD1 3.45Å; W143-Y220 HydrophobicContact CG-CD2 4.12Å; W143-Y220 AromaticContact CG-CE1 3.86Å; W143-Y220 HydrophobicContact CG-CE1 3.86Å; W143-Y220 HydrophobicContact CG-CE2 4.49Å; W143-Y220 AromaticContact CG-CG 3.59Å; W143-Y220 HydrophobicContact CG-CG 3.59Å; W143-Y220 HydrophobicContact CZ2-CE1 4.35Å; W143-Y220 HydrophobicContact CZ3-CE1 4.32Å; W143-Y220 AromaticContact NE1-CD1 3.67Å; C216-Y220 WeakPolarHBondContact O-CB 3.34Å; C216-Y220 PolarHBondContact O-N 3.25Å; N217-Y220 PolarHBondContact O-N 2.91Å; Y220-M224 HydrophobicContact CD2-CG 3.64Å; Y220-M224 HydrophobicContact CE2-CE 4.23Å; Y220-M224 HydrophobicContact CE2-CG 3.32Å; Y220-M224 HydrophobicContact CE2-SD 3.81Å; Y220-M224 VanDerWaalsContact O-CB 3.31Å; Y220-M224 WeakPolarHBondContact O-CB 3.5Å; Y220-M224 WeakPolarHBondContact O-CG 3.24Å; Y220-M224 PolarHBondContact O-N 3.22Å; Y220-M224 VanDerWaalsContact O-N 3.13Å
221M98.6Very high98.1Very high81 Ų8172.2 Ų72.240%0.39935%0.352SS..Hα-helixtrans-63.8-51175.6-67.4175.167.100111.4W17 N217 P218 R219 D223 M224 E225W17-M221 HydrophobicContact CE3-CG 4.44Å; W17-M221 HydrophobicContact CH2-CB 3.94Å; W17-M221 HydrophobicContact CH2-CE 4.3Å; W17-M221 HydrophobicContact CH2-CG 3.8Å; W17-M221 HydrophobicContact CZ2-CE 4.11Å; W17-M221 HydrophobicContact CZ2-CG 4.38Å; W17-M221 HydrophobicContact CZ3-CB 4.16Å; W17-M221 HydrophobicContact CZ3-CG 3.85Å; N217-M221 WeakPolarHBondContact O-CG 3.44Å; N217-M221 PolarHBondContact O-N 2.61Å; P218-M221 PolarHBondContact O-N 3.27Å; R219-M221 VanDerWaalsContact C-N 3.32Å; M221-D223 PolarHBondContact O-N 3.23Å; M221-M224 PolarHBondContact O-N 3.39Å; M221-E225 WeakPolarHBondContact O-CB 3.34Å; M221-E225 WeakPolarHBondContact O-CG 3.24Å; M221-E225 PolarHBondContact O-N 3.31Å
222E98.6Very high98.1Very high101 Ų10169 Ų6947%0.47234%0.337SS..Hα-helixtrans-54.6-50.6177.8-171-164.4163.500112.9P218 R219 M224 Q226P218-E222 WeakPolarHBondContact O-CB 3.35Å; P218-E222 PolarHBondContact O-N 3.01Å; R219-E222 WeakPolarHBondContact CD-OE2 3.39Å; R219-E222 IonicContact CZ-OE1 3.46Å; R219-E222 IonicContact CZ-OE2 2.79Å; R219-E222 IonicContact NE-OE2 3.51Å; R219-E222 IonicContact NH1-OE1 2.71Å; R219-E222 PolarHBondContact NH1-OE1 3Å; R219-E222 IonicContact NH1-OE2 2.74Å; R219-E222 PolarHBondContact NH1-OE2 3.45Å; R219-E222 IonicContact NH2-OE1 2.72Å; R219-E222 PolarHBondContact O-N 2.8Å; E222-M224 VanDerWaalsContact C-N 3.32Å; E222-M224 PolarHBondContact O-N 3Å; E222-Q226 WeakPolarHBondContact O-CB 3.47Å; E222-Q226 PolarHBondContact O-N 3.49Å
223D98.6Very high98.2Very high43 Ų4369.6 Ų69.623%0.2334%0.34CS..Hα-helixtrans-67-30.2-179.8-78.9-45.1000112.5A139 R219 M221 V227A139-D223 HydrophobicContact CB-CB 3.68Å; R219-D223 WeakPolarHBondContact CG-OD2 3.25Å; R219-D223 IonicContact CZ-OD1 3.69Å; R219-D223 IonicContact CZ-OD2 3.44Å; R219-D223 VanDerWaalsContact NE-CG 3.27Å; R219-D223 IonicContact NE-OD1 3.58Å; R219-D223 PolarHBondContact NE-OD1 2.9Å; R219-D223 IonicContact NE-OD2 3.98Å; R219-D223 PolarHBondContact NE-OD2 3.32Å; R219-D223 IonicContact NH2-OD1 2.76Å; R219-D223 PolarHBondContact NH2-OD1 3Å; R219-D223 IonicContact NH2-OD2 2.64Å; R219-D223 WeakPolarHBondContact O-CB 3.34Å; R219-D223 PolarHBondContact O-N 3.29Å; M221-D223 PolarHBondContact O-N 3.23Å; D223-V227 WeakPolarHBondContact O-CG2 3.43Å
224M98.8Very high98.2Very high0 Ų071.7 Ų71.70%036%0.359CS..Hα-helixtrans-79.3-41.9177.2-72.4-73.9-73.700112.4F16 W17 Y22 F136 A139 Q140 Y220 M221 E222 Q226 V227 F228F16-M224 HydrophobicContact CE1-CB 4.35Å; F16-M224 HydrophobicContact CE1-CE 3.92Å; F16-M224 HydrophobicContact CE2-CE 4.34Å; F16-M224 HydrophobicContact CZ-CE 3.71Å; W17-M224 HydrophobicContact CZ3-CB 3.85Å; W17-M224 HydrophobicContact CZ3-CG 4.33Å; Y22-M224 HydrophobicContact CD1-CE 4.07Å; F136-M224 HydrophobicContact CD1-CE 3.97Å; F136-M224 HydrophobicContact CD1-SD 3.87Å; A139-M224 HydrophobicContact CB-CG 4.04Å; A139-M224 HydrophobicContact CB-SD 3.75Å; Q140-M224 HydrophobicContact CB-SD 3.92Å; Y220-M224 HydrophobicContact CD2-CG 3.64Å; Y220-M224 HydrophobicContact CE2-CE 4.23Å; Y220-M224 HydrophobicContact CE2-CG 3.32Å; Y220-M224 HydrophobicContact CE2-SD 3.81Å; Y220-M224 VanDerWaalsContact O-CB 3.31Å; Y220-M224 WeakPolarHBondContact O-CB 3.5Å; Y220-M224 WeakPolarHBondContact O-CG 3.24Å; Y220-M224 PolarHBondContact O-N 3.22Å; Y220-M224 VanDerWaalsContact O-N 3.13Å; M221-M224 PolarHBondContact O-N 3.39Å; E222-M224 VanDerWaalsContact C-N 3.32Å; E222-M224 PolarHBondContact O-N 3Å; M224-Q226 VanDerWaalsContact C-N 3.35Å; M224-V227 PolarHBondContact O-N 2.69Å; M224-F228 WeakPolarHBondContact O-CB 3.29Å; M224-F228 PolarHBondContact O-N 3.38Å
225E98.8Very high98.2Very high87 Ų8768.2 Ų68.241%0.40734%0.34SS..Hα-helixtrans-63.2-41.5176.7-76.1167-166.500110.6W17 M221 V227 F228 D229W17-E225 HydrophobicContact CH2-CG 4Å; W17-E225 WeakPolarHBondContact CH2-OE1 3.5Å; M221-E225 WeakPolarHBondContact O-CB 3.34Å; M221-E225 WeakPolarHBondContact O-CG 3.24Å; M221-E225 PolarHBondContact O-N 3.31Å; E225-V227 VanDerWaalsContact C-N 3.33Å; E225-V227 PolarHBondContact O-N 3.49Å; E225-F228 WeakPolarHBondContact O-CB 3.43Å; E225-F228 PolarHBondContact O-N 3.34Å; E225-F228 VanDerWaalsContact O-N 3.13Å; E225-D229 PolarHBondContact O-N 3.25Å
226Q98.7Very high98.3Very high125 Ų12565.2 Ų65.258%0.58433%0.328SS*.Hα-helixtrans-57.5-42.4175-173.8176.544.600112.8E222 M224 L230E222-Q226 WeakPolarHBondContact O-CB 3.47Å; E222-Q226 PolarHBondContact O-N 3.49Å; M224-Q226 VanDerWaalsContact C-N 3.35Å; Q226-L230 WeakPolarHBondContact O-CG 3.24Å; Q226-L230 PolarHBondContact O-N 2.94Å
227V98.8Very high98.4Very high23 Ų2368.6 Ų68.614%0.13934%0.338CS..Hα-helixtrans-72.5-38.6176.4-179.30000110.8F136 D223 M224 E225 L230 T231F136-V227 HydrophobicContact CD1-CB 3.85Å; F136-V227 HydrophobicContact CD1-CG1 3.68Å; F136-V227 HydrophobicContact CD2-CG1 3.85Å; F136-V227 HydrophobicContact CE1-CB 3.74Å; F136-V227 HydrophobicContact CE1-CG1 3.65Å; F136-V227 HydrophobicContact CE2-CG1 3.83Å; F136-V227 HydrophobicContact CG-CB 4.42Å; F136-V227 HydrophobicContact CG-CG1 3.78Å; F136-V227 HydrophobicContact CZ-CB 4.25Å; F136-V227 HydrophobicContact CZ-CG1 3.74Å; D223-V227 WeakPolarHBondContact O-CG2 3.43Å; M224-V227 PolarHBondContact O-N 2.69Å; E225-V227 VanDerWaalsContact C-N 3.33Å; E225-V227 PolarHBondContact O-N 3.49Å; V227-L230 PolarHBondContact O-N 3.43Å; V227-T231 PolarHBondContact O-N 3.28Å
228F98.8Very high98.5Very high68 Ų6867.4 Ų67.430%0.29833%0.33SS..Hα-helixtrans-60.9-46.6177.7-175.8-95.8000112.2F16 T25 F136 M224 E225 L230 T231 Q232F16-F228 AromaticContact CE2-CD2 3.88Å; F16-F228 HydrophobicContact CE2-CD2 3.88Å; F16-F228 HydrophobicContact CE2-CE2 4.4Å; F16-F228 HydrophobicContact CZ-CB 4.35Å; F16-F228 AromaticContact CZ-CD2 3.96Å; F16-F228 HydrophobicContact CZ-CD2 3.96Å; F16-F228 HydrophobicContact CZ-CG 4.49Å; T25-F228 HydrophobicContact CG2-CD2 3.96Å; T25-F228 HydrophobicContact CG2-CE2 4.11Å; F136-F228 HydrophobicContact CE1-CB 4.18Å; F136-F228 HydrophobicContact CZ-CB 4.26Å; M224-F228 WeakPolarHBondContact O-CB 3.29Å; M224-F228 PolarHBondContact O-N 3.38Å; E225-F228 WeakPolarHBondContact O-CB 3.43Å; E225-F228 PolarHBondContact O-N 3.34Å; E225-F228 VanDerWaalsContact O-N 3.13Å; F228-L230 VanDerWaalsContact C-N 3.32Å; F228-L230 PolarHBondContact O-N 2.89Å; F228-T231 CarbonylContact O-C 3.54Å; F228-T231 WeakPolarHBondContact O-CA 2.91Å; F228-T231 PolarHBondContact O-N 3.25Å; F228-T231 PolarHBondContact O-OG1 3.02Å; F228-Q232 HydrophobicContact CD1-CG 3.81Å; F228-Q232 HydrophobicContact CE1-CG 3.62Å; F228-Q232 VanDerWaalsContact CE2-NE2 3.28Å; F228-Q232 HydrophobicContact CZ-CG 4.28Å; F228-Q232 WeakPolarHBondContact O-CG 3.27Å; F228-Q232 PolarHBondContact O-N 3.18Å
229D98.8Very high98.5Very high103 Ų10367.7 Ų67.755%0.55133%0.326SS*.Hα-helixtrans-64.8-33.9-179.4-83.6-14.8000113.2E225 T231 Q232 E233E225-D229 PolarHBondContact O-N 3.25Å; D229-T231 VanDerWaalsContact C-N 3.31Å; D229-T231 PolarHBondContact O-N 3.08Å; D229-Q232 PolarHBondContact O-N 3.4Å; D229-Q232 VanDerWaalsContact O-N 3.11Å; D229-E233 PolarHBondContact O-N 3.19Å
230L98.3Very high98.6Very high125 Ų12568.9 Ų68.965%0.65433%0.33SS*.Hα-helixtrans-60.6-41.3170.4-68.5170.2000111.3Q226 V227 F228 Q232 E233 A234Q226-L230 WeakPolarHBondContact O-CG 3.24Å; Q226-L230 PolarHBondContact O-N 2.94Å; V227-L230 PolarHBondContact O-N 3.43Å; F228-L230 VanDerWaalsContact C-N 3.32Å; F228-L230 PolarHBondContact O-N 2.89Å; L230-Q232 VanDerWaalsContact C-N 3.33Å; L230-Q232 PolarHBondContact O-N 3.02Å; L230-E233 PolarHBondContact O-N 3.49Å; L230-A234 PolarHBondContact O-N 2.88Å; L230-A234 VanDerWaalsContact O-N 3.07Å
231T98.4Very high98.6Very high9 Ų969.7 Ų69.76%0.05533%0.334CS..Hα-helixtrans-71.7-23.6173.871.70000113.6T25 R28 I29 A132 F136 V227 F228 D229 E235T25-T231 HydrophobicContact CG2-CG2 4.27Å; T25-T231 WeakPolarHBondContact CG2-OG1 3.33Å; R28-T231 PolarHBondContact NH2-O 2.7Å; I29-T231 HydrophobicContact CD1-CG2 4.33Å; A132-T231 HydrophobicContact CB-CG2 4.03Å; F136-T231 HydrophobicContact CE2-CG2 4.29Å; F136-T231 HydrophobicContact CZ-CG2 4.46Å; V227-T231 PolarHBondContact O-N 3.28Å; F228-T231 CarbonylContact O-C 3.54Å; F228-T231 WeakPolarHBondContact O-CA 2.91Å; F228-T231 PolarHBondContact O-N 3.25Å; F228-T231 PolarHBondContact O-OG1 3.02Å; D229-T231 VanDerWaalsContact C-N 3.31Å; D229-T231 PolarHBondContact O-N 3.08Å; T231-E235 WeakPolarHBondContact O-CB 3.49Å; T231-E235 PolarHBondContact O-N 3.08Å
232Q98.7Very high98.6Very high37 Ų3767 Ų6717%0.17332%0.32CS..Hα-helixtrans-75.7-37.2171.5-58.6-41.9-42.600112R28 F228 D229 L230 E235 R236R28-Q232 VanDerWaalsContact NH2-CD 3.27Å; R28-Q232 VanDerWaalsContact NH2-NE2 3.2Å; F228-Q232 HydrophobicContact CD1-CG 3.81Å; F228-Q232 HydrophobicContact CE1-CG 3.62Å; F228-Q232 VanDerWaalsContact CE2-NE2 3.28Å; F228-Q232 HydrophobicContact CZ-CG 4.28Å; F228-Q232 WeakPolarHBondContact O-CG 3.27Å; F228-Q232 PolarHBondContact O-N 3.18Å; D229-Q232 PolarHBondContact O-N 3.4Å; D229-Q232 VanDerWaalsContact O-N 3.11Å; L230-Q232 VanDerWaalsContact C-N 3.33Å; L230-Q232 PolarHBondContact O-N 3.02Å; Q232-E235 PolarHBondContact O-N 3.36Å; Q232-R236 WeakPolarHBondContact O-CB 3.32Å; Q232-R236 PolarHBondContact O-N 3.06Å
233E98.3Very high98.6Very high68 Ų6868.4 Ų68.432%0.31833%0.325SS..Hα-helixtrans-68.3-38.2174.2178.554.4-151.800112D229 L230 R236 K237D229-E233 PolarHBondContact O-N 3.19Å; L230-E233 PolarHBondContact O-N 3.49Å; E233-R236 PolarHBondContact O-N 2.79Å; E233-R236 WeakPolarHBondContact OE2-CD 3.31Å; E233-R236 IonicContact OE2-CZ 2.83Å; E233-R236 IonicContact OE2-NE 3.27Å; E233-R236 IonicContact OE2-NH1 3.7Å; E233-R236 PolarHBondContact OE2-NH1 3.23Å; E233-K237 WeakPolarHBondContact O-CG 3.5Å; E233-K237 PolarHBondContact O-N 3.34Å; E233-K237 VanDerWaalsContact O-N 3.15Å; E233-K237 WeakPolarHBondContact OE1-CE 3.31Å
234A97.4Very high98.6Very high56 Ų5670.1 Ų70.146%0.46333%0.334SS..Hα-helixtrans-59.8-49.7172.100000111.9L230 R236 K237 R238L230-A234 PolarHBondContact O-N 2.88Å; L230-A234 VanDerWaalsContact O-N 3.07Å; A234-R236 PolarHBondContact O-N 2.94Å; A234-K237 WeakPolarHBondContact O-CB 3.36Å; A234-K237 PolarHBondContact O-N 3.33Å; A234-R238 PolarHBondContact O-N 3.02Å
235E98.6Very high98.6Very high24 Ų2470.1 Ų70.111%0.11233%0.334CS..Hα-helixtrans-66-36.3177.5177.465173.700112.3T231 Q232 K237 R238 L239T231-E235 WeakPolarHBondContact O-CB 3.49Å; T231-E235 PolarHBondContact O-N 3.08Å; Q232-E235 PolarHBondContact O-N 3.36Å; E235-K237 PolarHBondContact O-N 2.83Å; E235-R238 WeakPolarHBondContact O-CB 3.3Å; E235-R238 PolarHBondContact O-N 3.44Å; E235-R238 VanDerWaalsContact O-N 3.12Å; E235-R238 IonicContact OE1-CZ 3.12Å; E235-R238 IonicContact OE1-NE 2.7Å; E235-R238 PolarHBondContact OE1-NE 3.11Å; E235-R238 IonicContact OE1-NH2 2.7Å; E235-R238 PolarHBondContact OE1-NH2 3.41Å; E235-R238 IonicContact OE2-CZ 2.7Å; E235-R238 IonicContact OE2-NE 2.73Å; E235-R238 PolarHBondContact OE2-NE 2.98Å; E235-R238 IonicContact OE2-NH2 3.15Å; E235-L239 HydrophobicContact CG-CD1 3.84Å; E235-L239 HydrophobicContact CG-CG 4.1Å; E235-L239 WeakPolarHBondContact O-CB 3.42Å; E235-L239 WeakPolarHBondContact O-CG 3.33Å; E235-L239 PolarHBondContact O-N 3.22Å
236R98.8Very high98.6Very high105 Ų10569.8 Ų69.840%0.39634%0.335SS..Hα-helixtrans-59.5-34.7175.5-176.9-178.8-62.6120.92.3112.2Q232 E233 A234 R240Q232-R236 WeakPolarHBondContact O-CB 3.32Å; Q232-R236 PolarHBondContact O-N 3.06Å; E233-R236 PolarHBondContact O-N 2.79Å; E233-R236 WeakPolarHBondContact OE2-CD 3.31Å; E233-R236 IonicContact OE2-CZ 2.83Å; E233-R236 IonicContact OE2-NE 3.27Å; E233-R236 IonicContact OE2-NH1 3.7Å; E233-R236 PolarHBondContact OE2-NH1 3.23Å; A234-R236 PolarHBondContact O-N 2.94Å; R236-R240 VanDerWaalsContact O-CG 3.32Å; R236-R240 WeakPolarHBondContact O-CG 3.46Å; R236-R240 PolarHBondContact O-N 3.08Å
237K98.7Very high98.6Very high117 Ų11768 Ų6851%0.50933%0.329SS..Hα-helixtrans-67.9-47.4172.6-67.9170.3-172.8178.70111.2E233 A234 E235 L239 R240 F241E233-K237 WeakPolarHBondContact O-CG 3.5Å; E233-K237 PolarHBondContact O-N 3.34Å; E233-K237 VanDerWaalsContact O-N 3.15Å; E233-K237 WeakPolarHBondContact OE1-CE 3.31Å; A234-K237 WeakPolarHBondContact O-CB 3.36Å; A234-K237 PolarHBondContact O-N 3.33Å; E235-K237 PolarHBondContact O-N 2.83Å; K237-L239 PolarHBondContact O-N 3.09Å; K237-R240 PolarHBondContact O-N 3.48Å; K237-F241 WeakPolarHBondContact O-CB 3.32Å; K237-F241 PolarHBondContact O-N 3.4Å
238R98.7Very high98.6Very high23 Ų2369.2 Ų69.29%0.08733%0.334CS..Hα-helixtrans-58.2-47.4176.3-167.8-170.872.179.70.6112W113 A234 E235 R240 F241 F242W113-R238 HydrophobicContact CH2-CB 3.67Å; W113-R238 HydrophobicContact CH2-CG 3.65Å; W113-R238 HydrophobicContact CZ2-CB 4.26Å; W113-R238 HydrophobicContact CZ3-CG 4Å; A234-R238 PolarHBondContact O-N 3.02Å; E235-R238 WeakPolarHBondContact O-CB 3.3Å; E235-R238 PolarHBondContact O-N 3.44Å; E235-R238 VanDerWaalsContact O-N 3.12Å; E235-R238 IonicContact OE1-CZ 3.12Å; E235-R238 IonicContact OE1-NE 2.7Å; E235-R238 PolarHBondContact OE1-NE 3.11Å; E235-R238 IonicContact OE1-NH2 2.7Å; E235-R238 PolarHBondContact OE1-NH2 3.41Å; E235-R238 IonicContact OE2-CZ 2.7Å; E235-R238 IonicContact OE2-NE 2.73Å; E235-R238 PolarHBondContact OE2-NE 2.98Å; E235-R238 IonicContact OE2-NH2 3.15Å; R238-R240 PolarHBondContact O-N 2.94Å; R238-F241 PolarHBondContact O-N 3.43Å; R238-F242 HydrophobicContact CG-CD2 3.82Å; R238-F242 HydrophobicContact CG-CE2 3.74Å; R238-F242 WeakPolarHBondContact O-CB 3.49Å; R238-F242 VanDerWaalsContact O-CD2 3.28Å; R238-F242 WeakPolarHBondContact O-CD2 3.24Å; R238-F242 PolarHBondContact O-N 2.78Å
239L98.8Very high98.6Very high94 Ų9466.3 Ų66.349%0.49232%0.322SS..Hα-helixtrans-64.8-37.7-178.6-70.2173.1000112.8E235 K237 K243E235-L239 HydrophobicContact CG-CD1 3.84Å; E235-L239 HydrophobicContact CG-CG 4.1Å; E235-L239 WeakPolarHBondContact O-CB 3.42Å; E235-L239 WeakPolarHBondContact O-CG 3.33Å; E235-L239 PolarHBondContact O-N 3.22Å; K237-L239 PolarHBondContact O-N 3.09Å; L239-K243 WeakPolarHBondContact O-CB 3.44Å; L239-K243 PolarHBondContact O-N 3.33Å; L239-K243 VanDerWaalsContact O-N 3.14Å
240R98.8Very high98.6Very high146 Ų14666.7 Ų66.755%0.55132%0.32SS*.Hα-helixtrans-65.5-51.8172.1-74.9170.6174.8159.5-4111R236 K237 R238 F242 K243 D244R236-R240 VanDerWaalsContact O-CG 3.32Å; R236-R240 WeakPolarHBondContact O-CG 3.46Å; R236-R240 PolarHBondContact O-N 3.08Å; K237-R240 PolarHBondContact O-N 3.48Å; R238-R240 PolarHBondContact O-N 2.94Å; R240-F242 VanDerWaalsContact C-N 3.33Å; R240-F242 PolarHBondContact O-N 3.14Å; R240-K243 WeakPolarHBondContact O-CB 3.25Å; R240-K243 PolarHBondContact O-N 2.9Å; R240-D244 PolarHBondContact O-N 3.2Å
241F98.9Very high98.6Very high28 Ų2865.2 Ų65.212%0.12332%0.316CS..Hα-helixtrans-55.4-45.1178.3177.4-104.9000112.8K109 V110 W113 K237 R238 K243 D244 V245K109-F241 HydrophobicContact CG-CE2 4.21Å; K109-F241 HydrophobicContact CG-CZ 4.28Å; K109-F241 WeakPolarHBondContact O-CZ 3.49Å; V110-F241 HydrophobicContact CB-CE1 4.45Å; V110-F241 HydrophobicContact CG2-CE1 4.09Å; V110-F241 HydrophobicContact CG2-CZ 4.19Å; W113-F241 HydrophobicContact CB-CD1 4.21Å; W113-F241 HydrophobicContact CB-CD2 4.27Å; W113-F241 HydrophobicContact CB-CE1 3.62Å; W113-F241 HydrophobicContact CB-CE2 3.68Å; W113-F241 HydrophobicContact CB-CZ 3.33Å; W113-F241 AromaticContact CD1-CD2 3.59Å; W113-F241 AromaticContact CD1-CE2 3.84Å; W113-F241 AromaticContact CD1-CG 3.76Å; W113-F241 HydrophobicContact CD2-CB 4.38Å; W113-F241 AromaticContact CD2-CD1 3.4Å; W113-F241 HydrophobicContact CD2-CD1 3.4Å; W113-F241 HydrophobicContact CD2-CD2 4.27Å; W113-F241 AromaticContact CD2-CE1 3.67Å; W113-F241 HydrophobicContact CD2-CE1 3.67Å; W113-F241 HydrophobicContact CD2-CE2 4.49Å; W113-F241 AromaticContact CD2-CG 3.74Å; W113-F241 HydrophobicContact CD2-CG 3.74Å; W113-F241 HydrophobicContact CD2-CZ 4.22Å; W113-F241 AromaticContact CE2-CD1 3.91Å; W113-F241 AromaticContact CE2-CG 3.85Å; W113-F241 AromaticContact CE3-CD1 3.6Å; W113-F241 HydrophobicContact CE3-CD1 3.6Å; W113-F241 AromaticContact CE3-CE1 3.78Å; W113-F241 HydrophobicContact CE3-CE1 3.78Å; W113-F241 HydrophobicContact CE3-CG 4.36Å; W113-F241 AromaticContact CG-CD1 3.64Å; W113-F241 HydrophobicContact CG-CD1 3.64Å; W113-F241 AromaticContact CG-CD2 3.77Å; W113-F241 HydrophobicContact CG-CD2 3.77Å; W113-F241 AromaticContact CG-CE1 3.58Å; W113-F241 HydrophobicContact CG-CE1 3.58Å; W113-F241 AromaticContact CG-CE2 3.7Å; W113-F241 HydrophobicContact CG-CE2 3.7Å; W113-F241 AromaticContact CG-CG 3.74Å; W113-F241 HydrophobicContact CG-CG 3.74Å; W113-F241 AromaticContact CG-CZ 3.62Å; W113-F241 HydrophobicContact CG-CZ 3.62Å; W113-F241 HydrophobicContact CZ2-CB 4.39Å; W113-F241 HydrophobicContact CZ3-CD1 4.28Å; W113-F241 AromaticContact NE1-CG 3.79Å; K237-F241 WeakPolarHBondContact O-CB 3.32Å; K237-F241 PolarHBondContact O-N 3.4Å; R238-F241 PolarHBondContact O-N 3.43Å; F241-K243 PolarHBondContact O-N 3.46Å; F241-D244 PolarHBondContact O-N 2.62Å; F241-V245 HydrophobicContact CD1-CG2 4.42Å; F241-V245 HydrophobicContact CD2-CG2 4.22Å; F241-V245 HydrophobicContact CE1-CG2 3.9Å; F241-V245 HydrophobicContact CE2-CG2 3.68Å; F241-V245 HydrophobicContact CZ-CG2 3.49Å; F241-V245 VanDerWaalsContact CZ-CG2 3.49Å; F241-V245 WeakPolarHBondContact O-CB 3.4Å; F241-V245 WeakPolarHBondContact O-CG2 3.49Å; F241-V245 PolarHBondContact O-N 3.11Å
242F98.8Very high98.5Very high26 Ų2665.6 Ų65.611%0.11432%0.317CS..Hα-helixtrans-60.9-43.2175.1-91.5-122.5000112.3L35 L39 R238 R240 D244 L246L35-F242 HydrophobicContact CB-CE1 4.16Å; L35-F242 HydrophobicContact CB-CZ 3.95Å; L39-F242 HydrophobicContact CB-CE1 4.28Å; L39-F242 HydrophobicContact CD2-CD1 4.05Å; L39-F242 HydrophobicContact CD2-CE1 3.9Å; L39-F242 HydrophobicContact CD2-CG 4.44Å; L39-F242 HydrophobicContact CD2-CZ 4.16Å; R238-F242 HydrophobicContact CG-CD2 3.82Å; R238-F242 HydrophobicContact CG-CE2 3.74Å; R238-F242 WeakPolarHBondContact O-CB 3.49Å; R238-F242 VanDerWaalsContact O-CD2 3.28Å; R238-F242 WeakPolarHBondContact O-CD2 3.24Å; R238-F242 PolarHBondContact O-N 2.78Å; R240-F242 VanDerWaalsContact C-N 3.33Å; R240-F242 PolarHBondContact O-N 3.14Å; F242-D244 VanDerWaalsContact C-N 3.34Å; F242-L246 WeakPolarHBondContact O-CB 3.44Å; F242-L246 WeakPolarHBondContact O-CD1 3.43Å; F242-L246 WeakPolarHBondContact O-CG 3.44Å; F242-L246 PolarHBondContact O-N 3.07Å
243K98.8Very high98.5Very high129 Ų12965.9 Ų65.956%0.56132%0.32SS*.Hα-helixtrans-62.2-43.6177.2-174.3-144.7169.2-1510111.2L239 R240 F241 L246 L247L239-K243 WeakPolarHBondContact O-CB 3.44Å; L239-K243 PolarHBondContact O-N 3.33Å; L239-K243 VanDerWaalsContact O-N 3.14Å; R240-K243 WeakPolarHBondContact O-CB 3.25Å; R240-K243 PolarHBondContact O-N 2.9Å; F241-K243 PolarHBondContact O-N 3.46Å; K243-L246 PolarHBondContact O-N 2.98Å; K243-L247 WeakPolarHBondContact O-CG 3.39Å; K243-L247 PolarHBondContact O-N 2.72Å; K243-L247 VanDerWaalsContact O-N 3.16Å
244D98.8Very high98.5Very high79 Ų7965 Ų6542%0.42232%0.317SS..Hα-helixtrans-69-45.7-176.9-58.4-26.2000110.3R240 F241 F242 L246 L247 D248R240-D244 PolarHBondContact O-N 3.2Å; F241-D244 PolarHBondContact O-N 2.62Å; F242-D244 VanDerWaalsContact C-N 3.34Å; D244-L246 VanDerWaalsContact C-N 3.33Å; D244-L246 PolarHBondContact O-N 2.63Å; D244-L247 WeakPolarHBondContact O-CA 3.43Å; D244-L247 WeakPolarHBondContact O-CB 3.49Å; D244-L247 PolarHBondContact O-N 3.11Å; D244-D248 PolarHBondContact O-N 3.13Å; D244-D248 VanDerWaalsContact O-OD2 3.09Å
245V98.7Very high98.5Very high0 Ų063.2 Ų63.20%030%0.3CS..Hα-helixtrans-58.1-40172.4168.40000112.7L39 K109 V110 F241 L247 D248 I249L39-V245 HydrophobicContact CD2-CG1 4.2Å; K109-V245 HydrophobicContact CD-CG2 4.25Å; K109-V245 HydrophobicContact CG-CG2 4.42Å; V110-V245 HydrophobicContact CG2-CG1 3.79Å; V110-V245 HydrophobicContact CG2-CG2 4.15Å; F241-V245 HydrophobicContact CD1-CG2 4.42Å; F241-V245 HydrophobicContact CD2-CG2 4.22Å; F241-V245 HydrophobicContact CE1-CG2 3.9Å; F241-V245 HydrophobicContact CE2-CG2 3.68Å; F241-V245 HydrophobicContact CZ-CG2 3.49Å; F241-V245 VanDerWaalsContact CZ-CG2 3.49Å; F241-V245 WeakPolarHBondContact O-CB 3.4Å; F241-V245 WeakPolarHBondContact O-CG2 3.49Å; F241-V245 PolarHBondContact O-N 3.11Å; V245-L247 VanDerWaalsContact C-N 3.25Å; V245-L247 PolarHBondContact O-N 2.98Å; V245-D248 WeakPolarHBondContact CA-OD2 3.33Å; V245-D248 PolarHBondContact O-N 3.1Å; V245-I249 HydrophobicContact CG1-CD1 3.67Å; V245-I249 HydrophobicContact CG1-CG1 4.34Å; V245-I249 WeakPolarHBondContact O-CB 3.47Å; V245-I249 VanDerWaalsContact O-CG1 3.3Å; V245-I249 WeakPolarHBondContact O-CG1 3.36Å; V245-I249 PolarHBondContact O-N 3.09Å
246L98.8Very high98.4Very high81 Ų8165.9 Ų65.942%0.42432%0.321SS..Hα-helixtrans-66.9-26.3176.3-73.6167.7000112.9L39 F43 F242 K243 D244 H250L39-L246 HydrophobicContact CD1-CD2 4.14Å; F43-L246 HydrophobicContact CE2-CD2 3.99Å; F43-L246 HydrophobicContact CZ-CD2 4.23Å; F242-L246 WeakPolarHBondContact O-CB 3.44Å; F242-L246 WeakPolarHBondContact O-CD1 3.43Å; F242-L246 WeakPolarHBondContact O-CG 3.44Å; F242-L246 PolarHBondContact O-N 3.07Å; K243-L246 PolarHBondContact O-N 2.98Å; D244-L246 VanDerWaalsContact C-N 3.33Å; D244-L246 PolarHBondContact O-N 2.63Å; L246-H250 WeakPolarHBondContact O-CB 3.28Å; L246-H250 PolarHBondContact O-N 3.43Å; L246-H250 VanDerWaalsContact O-N 3.11Å
247L98.8Very high98.2Very high88 Ų8863.7 Ų63.746%0.46133%0.325SS..Hα-helixtrans-78.6-36.1173-70.1168.2000112.1K243 D244 V245 H250 T251K243-L247 WeakPolarHBondContact O-CG 3.39Å; K243-L247 PolarHBondContact O-N 2.72Å; K243-L247 VanDerWaalsContact O-N 3.16Å; D244-L247 WeakPolarHBondContact O-CA 3.43Å; D244-L247 WeakPolarHBondContact O-CB 3.49Å; D244-L247 PolarHBondContact O-N 3.11Å; V245-L247 VanDerWaalsContact C-N 3.25Å; V245-L247 PolarHBondContact O-N 2.98Å; L247-H250 PolarHBondContact O-N 3.37Å; L247-T251 WeakPolarHBondContact O-CB 3.39Å; L247-T251 PolarHBondContact O-N 3.5Å; L247-T251 PolarHBondContact O-OG1 2.99Å
248D98.4Very high98Very high48 Ų4859.8 Ų59.826%0.25731%0.308SS..Hα-helixtrans-62.4-51.7172.4-57.2-52.6000110.3K109 D244 V245 H250 T251 H252K109-D248 IonicContact NZ-OD1 3.49Å; K109-D248 IonicContact NZ-OD2 2.69Å; K109-D248 PolarHBondContact NZ-OD2 3.17Å; D244-D248 PolarHBondContact O-N 3.13Å; D244-D248 VanDerWaalsContact O-OD2 3.09Å; V245-D248 WeakPolarHBondContact CA-OD2 3.33Å; V245-D248 PolarHBondContact O-N 3.1Å; D248-H250 VanDerWaalsContact C-N 3.33Å; D248-H250 PolarHBondContact O-N 3.43Å; D248-T251 CarbonylContact O-C 3.52Å; D248-T251 WeakPolarHBondContact O-CA 3.36Å; D248-T251 WeakPolarHBondContact O-CB 3.4Å; D248-T251 PolarHBondContact O-N 3.16Å; D248-H252 PolarHBondContact O-N 3.3Å
249I98.6Very high98Very high6 Ų663.6 Ų63.63%0.03133%0.33CS..Hα-helixtrans-56.4-43.9176.1-73170.2000111.6F43 L102 D106 V245 T251 H252 L253F43-I249 HydrophobicContact CD1-CD1 4.43Å; F43-I249 HydrophobicContact CD1-CG2 3.72Å; F43-I249 HydrophobicContact CD2-CD1 3.7Å; F43-I249 HydrophobicContact CE1-CG2 3.46Å; F43-I249 VanDerWaalsContact CE1-CG2 3.46Å; F43-I249 HydrophobicContact CE2-CD1 3.97Å; F43-I249 HydrophobicContact CE2-CG2 4.39Å; F43-I249 HydrophobicContact CG-CD1 3.95Å; F43-I249 HydrophobicContact CG-CG2 4.31Å; F43-I249 HydrophobicContact CZ-CD1 4.46Å; F43-I249 HydrophobicContact CZ-CG2 3.83Å; L102-I249 HydrophobicContact CD2-CB 4.45Å; L102-I249 HydrophobicContact CD2-CG1 4.28Å; L102-I249 HydrophobicContact CD2-CG2 3.85Å; D106-I249 HydrophobicContact CB-CD1 4.24Å; D106-I249 HydrophobicContact CB-CG1 3.82Å; V245-I249 HydrophobicContact CG1-CD1 3.67Å; V245-I249 HydrophobicContact CG1-CG1 4.34Å; V245-I249 WeakPolarHBondContact O-CB 3.47Å; V245-I249 VanDerWaalsContact O-CG1 3.3Å; V245-I249 WeakPolarHBondContact O-CG1 3.36Å; V245-I249 PolarHBondContact O-N 3.09Å; I249-T251 VanDerWaalsContact C-N 3.33Å; I249-T251 PolarHBondContact O-N 3.44Å; I249-H252 PolarHBondContact O-N 3.46Å; I249-L253 HydrophobicContact CG2-CD1 3.81Å; I249-L253 WeakPolarHBondContact O-CB 3.35Å; I249-L253 WeakPolarHBondContact O-CD1 3.34Å; I249-L253 VanDerWaalsContact O-CG 3.24Å; I249-L253 WeakPolarHBondContact O-CG 3.25Å; I249-L253 PolarHBondContact O-N 3.35Å
250H98.4Very high97.9Very high112 Ų11261.6 Ų61.652%0.51933%0.325SS..Hα-helixtrans-57.6-46.4172.4169.1-76.7000111.6L246 L247 D248 H252 L253 D254L246-H250 WeakPolarHBondContact O-CB 3.28Å; L246-H250 PolarHBondContact O-N 3.43Å; L246-H250 VanDerWaalsContact O-N 3.11Å; L247-H250 PolarHBondContact O-N 3.37Å; D248-H250 VanDerWaalsContact C-N 3.33Å; D248-H250 PolarHBondContact O-N 3.43Å; H250-H252 VanDerWaalsContact C-N 3.26Å; H250-H252 PolarHBondContact O-N 3.29Å; H250-L253 PolarHBondContact O-N 2.87Å; H250-D254 PolarHBondContact O-N 3.14Å
251T97.6Very high97.8Very high94 Ų9457.1 Ų57.158%0.57731%0.309SS*.Hα-helixtrans-66.4-29.1-179.5-540000112.1L247 D248 I249L247-T251 WeakPolarHBondContact O-CB 3.39Å; L247-T251 PolarHBondContact O-N 3.5Å; L247-T251 PolarHBondContact O-OG1 2.99Å; D248-T251 CarbonylContact O-C 3.52Å; D248-T251 WeakPolarHBondContact O-CA 3.36Å; D248-T251 WeakPolarHBondContact O-CB 3.4Å; D248-T251 PolarHBondContact O-N 3.16Å; I249-T251 VanDerWaalsContact C-N 3.33Å; I249-T251 PolarHBondContact O-N 3.44Å
252H97.8Very high97.8Very high17 Ų1759.5 Ų59.58%0.07932%0.319CS..Hα-helixtrans-74.4-36.6172.2-65.3163.7000112.7L98 R101 E105 D106 D248 I249 H250L98-H252 HydrophobicContact CD2-CB 4.45Å; L98-H252 WeakPolarHBondContact CD2-O 3.09Å; L98-H252 VanDerWaalsContact CG-O 3.25Å; L98-H252 WeakPolarHBondContact CG-O 3.49Å; R101-H252 HydrophobicContact CB-CB 4.39Å; R101-H252 WeakPolarHBondContact CD-CD2 3.34Å; R101-H252 WeakPolarHBondContact CD-NE2 3.32Å; R101-H252 PolarHBondContact NH1-CD2 2.88Å; R101-H252 PolarHBondContact NH1-NE2 3.37Å; E105-H252 IonicContact OE2-CE1 2.77Å; E105-H252 IonicContact OE2-NE2 3.51Å; D106-H252 IonicContact OD1-CE1 2.7Å; D106-H252 PolarHBondContact OD1-CE1 3.39Å; D106-H252 IonicContact OD1-ND1 2.62Å; D106-H252 PolarHBondContact OD1-ND1 3.01Å; D106-H252 IonicContact OD2-CE1 2.58Å; D106-H252 IonicContact OD2-CG 2.63Å; D106-H252 IonicContact OD2-ND1 3.24Å; D106-H252 PolarHBondContact OD2-ND1 3.05Å; D248-H252 PolarHBondContact O-N 3.3Å; I249-H252 PolarHBondContact O-N 3.46Å; H250-H252 VanDerWaalsContact C-N 3.26Å; H250-H252 PolarHBondContact O-N 3.29Å
253L97.9Very high97.7Very high43 Ų4361.4 Ų61.423%0.22533%0.331CS..Hα-helixtrans-72.6-24.4177.1-72.4167.2000114.2L98 L102 I249 H250 L255L98-L253 HydrophobicContact CD1-CD2 4.49Å; L98-L253 HydrophobicContact CD2-CD2 3.76Å; L98-L253 HydrophobicContact CD2-CG 4.23Å; L102-L253 HydrophobicContact CD1-CD2 4.15Å; I249-L253 HydrophobicContact CG2-CD1 3.81Å; I249-L253 WeakPolarHBondContact O-CB 3.35Å; I249-L253 WeakPolarHBondContact O-CD1 3.34Å; I249-L253 VanDerWaalsContact O-CG 3.24Å; I249-L253 WeakPolarHBondContact O-CG 3.25Å; I249-L253 PolarHBondContact O-N 3.35Å; H250-L253 PolarHBondContact O-N 2.87Å; L253-L255 PolarHBondContact O-N 3Å
254D98Very high97.7Very high49 Ų4955.4 Ų55.426%0.26231%0.305SS..  trans-77.584.5-177.4-172.76.4000113.3H250 S256 A257H250-D254 PolarHBondContact O-N 3.14Å; D254-S256 PolarHBondContact O-N 2.98Å; D254-S256 WeakPolarHBondContact OD1-CA 3.46Å; D254-S256 VanDerWaalsContact OD1-CB 3.23Å; D254-S256 WeakPolarHBondContact OD1-CB 3.49Å; D254-S256 PolarHBondContact OD1-N 3.29Å; D254-S256 PolarHBondContact OD1-OG 3.27Å; D254-A257 HydrophobicContact CB-CB 4.45Å; D254-A257 PolarHBondContact O-N 3.13Å; D254-A257 PolarHBondContact OD1-N 2.93Å; D254-A257 VanDerWaalsContact OD1-N 3.14Å
255L97.4Very high97.6Very high19 Ų1956 Ų5610%0.09931%0.305CS..THydrogen-bonded Turntrans-65.3-20.9168.7-65.6-177.1000113.3L94 H95 L98 L253 A257 K258 F261L94-L255 HydrophobicContact CB-CD2 4.22Å; H95-L255 WeakPolarHBondContact NE2-CD1 3.29Å; L98-L255 HydrophobicContact CD1-CD1 4.5Å; L98-L255 HydrophobicContact CD1-CD2 4.11Å; L98-L255 HydrophobicContact CD1-CG 4.16Å; L253-L255 PolarHBondContact O-N 3Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3.37Å; L255-K258 HydrophobicContact CD2-CD 3.77Å; L255-K258 PolarHBondContact O-N 3.35Å; L255-F261 HydrophobicContact CB-CB 4.49Å; L255-F261 HydrophobicContact CB-CD1 4.39Å; L255-F261 HydrophobicContact CB-CD2 4.18Å; L255-F261 HydrophobicContact CB-CG 4.1Å; L255-F261 HydrophobicContact CD1-CD2 4.35Å; L255-F261 HydrophobicContact CD1-CE2 4.48Å; L255-F261 VanDerWaalsContact O-CB 3.31Å; L255-F261 WeakPolarHBondContact O-CB 3.12Å; L255-F261 WeakPolarHBondContact O-CD1 3.21Å; L255-F261 WeakPolarHBondContact O-CG 3.47Å
256S96.5Very high97.6Very high80 Ų8061 Ų6156%0.55933%0.328SS*.THydrogen-bonded Turntrans-70.5-27.5179.684.30000112.2D254 K262D254-S256 PolarHBondContact O-N 2.98Å; D254-S256 WeakPolarHBondContact OD1-CA 3.46Å; D254-S256 VanDerWaalsContact OD1-CB 3.23Å; D254-S256 WeakPolarHBondContact OD1-CB 3.49Å; D254-S256 PolarHBondContact OD1-N 3.29Å; D254-S256 PolarHBondContact OD1-OG 3.27Å; S256-K262 WeakPolarHBondContact O-CE 3.43Å
257A95.2Very high97.6Very high58 Ų5859.8 Ų59.848%0.47932%0.322SS..THydrogen-bonded Turntrans-68.2-36.417000000112.7D254 L255 D259 K262D254-A257 HydrophobicContact CB-CB 4.45Å; D254-A257 PolarHBondContact O-N 3.13Å; D254-A257 PolarHBondContact OD1-N 2.93Å; D254-A257 VanDerWaalsContact OD1-N 3.14Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3.37Å; A257-D259 PolarHBondContact O-N 3.28Å; A257-K262 WeakPolarHBondContact O-CE 3.46Å; A257-K262 PolarHBondContact O-NZ 2.98Å
258K95.1Very high97.6Very high36 Ų3656.9 Ų56.916%0.15731%0.307CS..  trans-67.1124.4-174.5-66.2-168.2-174.6178.80112.6L94 E97 L255 S260 F261 K262L94-K258 HydrophobicContact CD2-CD 3.96Å; E97-K258 IonicContact OE2-NZ 2.62Å; E97-K258 PolarHBondContact OE2-NZ 2.82Å; L255-K258 HydrophobicContact CD2-CD 3.77Å; L255-K258 PolarHBondContact O-N 3.35Å; K258-S260 VanDerWaalsContact C-N 3.31Å; K258-S260 PolarHBondContact O-N 3.2Å; K258-F261 HydrophobicContact CB-CB 4.21Å; K258-F261 WeakPolarHBondContact O-CB 3.07Å; K258-F261 PolarHBondContact O-N 2.91Å; K258-K262 PolarHBondContact O-N 3.18Å
259D97.3Very high97.6Very high102 Ų10255.4 Ų55.455%0.54530%0.303SS..Hα-helixtrans-68.2-29174-66-38.6000112.8A257 F261 K262 N263A257-D259 PolarHBondContact O-N 3.28Å; D259-F261 VanDerWaalsContact C-N 3.26Å; D259-F261 PolarHBondContact O-N 3.36Å; D259-K262 PolarHBondContact O-N 2.93Å; D259-K262 WeakPolarHBondContact OD1-CD 3.23Å; D259-K262 IonicContact OD1-NZ 3.62Å; D259-K262 PolarHBondContact OD1-NZ 2.84Å; D259-N263 VanDerWaalsContact O-CB 3.27Å; D259-N263 WeakPolarHBondContact O-CB 3.1Å; D259-N263 PolarHBondContact O-N 3.37Å; D259-N263 PolarHBondContact O-ND2 2.97Å; D259-N263 PolarHBondContact O-OD1 3.11Å
260S96.8Very high97.6Very high53 Ų5360.5 Ų60.537%0.37133%0.327SS..Hα-helixtrans-59.1-35.9173.545.30000113.1L94 K258 L264L94-S260 VanDerWaalsContact CD2-OG 3.3Å; L94-S260 WeakPolarHBondContact CD2-OG 3.36Å; K258-S260 VanDerWaalsContact C-N 3.31Å; K258-S260 PolarHBondContact O-N 3.2Å; S260-L264 PolarHBondContact O-N 2.9Å
261F97.9Very high97.6Very high52 Ų5257.6 Ų57.623%0.22832%0.317CS..Hα-helixtrans-70.6-45.8173.9-179.3-104.6000111.8L91 L94 L255 K258 D259 N263 L264 H265L91-F261 HydrophobicContact CD1-CD2 3.95Å; L91-F261 HydrophobicContact CD1-CE2 3.76Å; L94-F261 HydrophobicContact CD1-CB 3.98Å; L94-F261 HydrophobicContact CD1-CD2 4.29Å; L255-F261 HydrophobicContact CB-CB 4.49Å; L255-F261 HydrophobicContact CB-CD1 4.39Å; L255-F261 HydrophobicContact CB-CD2 4.18Å; L255-F261 HydrophobicContact CB-CG 4.1Å; L255-F261 HydrophobicContact CD1-CD2 4.35Å; L255-F261 HydrophobicContact CD1-CE2 4.48Å; L255-F261 VanDerWaalsContact O-CB 3.31Å; L255-F261 WeakPolarHBondContact O-CB 3.12Å; L255-F261 WeakPolarHBondContact O-CD1 3.21Å; L255-F261 WeakPolarHBondContact O-CG 3.47Å; K258-F261 HydrophobicContact CB-CB 4.21Å; K258-F261 WeakPolarHBondContact O-CB 3.07Å; K258-F261 PolarHBondContact O-N 2.91Å; D259-F261 VanDerWaalsContact C-N 3.26Å; D259-F261 PolarHBondContact O-N 3.36Å; F261-N263 VanDerWaalsContact C-N 3.3Å; F261-N263 PolarHBondContact O-N 2.76Å; F261-L264 HydrophobicContact CD2-CD2 4.32Å; F261-L264 WeakPolarHBondContact O-CG 3.42Å; F261-L264 PolarHBondContact O-N 2.94Å; F261-H265 AromaticContact CE2-NE2 3.65Å; F261-H265 AromaticContact CZ-NE2 3.64Å; F261-H265 PolarHBondContact O-CD2 3.48Å; F261-H265 VanDerWaalsContact O-CD2 3.31Å
262K98Very high97.6Very high78 Ų7856.4 Ų56.434%0.33931%0.306SS..Hα-helixtrans-59.7-43.3175.2-60166.6-151157.20111.2S256 A257 K258 D259 Q266S256-K262 WeakPolarHBondContact O-CE 3.43Å; A257-K262 WeakPolarHBondContact O-CE 3.46Å; A257-K262 PolarHBondContact O-NZ 2.98Å; K258-K262 PolarHBondContact O-N 3.18Å; D259-K262 PolarHBondContact O-N 2.93Å; D259-K262 WeakPolarHBondContact OD1-CD 3.23Å; D259-K262 IonicContact OD1-NZ 3.62Å; D259-K262 PolarHBondContact OD1-NZ 2.84Å; K262-Q266 WeakPolarHBondContact O-CG 3.41Å; K262-Q266 PolarHBondContact O-N 2.86Å
263N97.9Very high97.7Very high66 Ų6665.2 Ų65.235%0.35334%0.339SS..Hα-helixtrans-68.5-39.8-175.3-66.9-5000111.8D259 F261 H265 Q266 D267D259-N263 VanDerWaalsContact O-CB 3.27Å; D259-N263 WeakPolarHBondContact O-CB 3.1Å; D259-N263 PolarHBondContact O-N 3.37Å; D259-N263 PolarHBondContact O-ND2 2.97Å; D259-N263 PolarHBondContact O-OD1 3.11Å; F261-N263 VanDerWaalsContact C-N 3.3Å; F261-N263 PolarHBondContact O-N 2.76Å; N263-H265 PolarHBondContact O-N 3.32Å; N263-Q266 CarbonylContact O-C 3.44Å; N263-Q266 WeakPolarHBondContact O-CA 3.44Å; N263-Q266 WeakPolarHBondContact O-CB 3.39Å; N263-Q266 PolarHBondContact O-N 3.27Å; N263-D267 WeakPolarHBondContact O-CB 3.24Å; N263-D267 PolarHBondContact O-N 3.25Å
264L96.9Very high97.7Very high3 Ų366.3 Ų66.32%0.01635%0.354CS..Hα-helixtrans-60.4-36-17981.288.7000112.4A87 R90 L91 L94 S260 F261 L268A87-L264 HydrophobicContact CB-CD1 3.92Å; R90-L264 HydrophobicContact CB-CB 4.26Å; R90-L264 HydrophobicContact CB-CD2 4.27Å; L91-L264 HydrophobicContact CB-CD2 4.31Å; L94-L264 HydrophobicContact CD1-CD2 3.75Å; S260-L264 PolarHBondContact O-N 2.9Å; F261-L264 HydrophobicContact CD2-CD2 4.32Å; F261-L264 WeakPolarHBondContact O-CG 3.42Å; F261-L264 PolarHBondContact O-N 2.94Å; L264-L268 VanDerWaalsContact O-CB 3.28Å; L264-L268 WeakPolarHBondContact O-CB 3.43Å; L264-L268 PolarHBondContact O-N 2.96Å; L264-L268 VanDerWaalsContact O-N 3.08Å
265H97.6Very high97.7Very high91 Ų9165.9 Ų65.942%0.42136%0.357SS..Hα-helixtrans-74.4-32.6174.7-66.8-64.7000113F261 N263 G269F261-H265 AromaticContact CE2-NE2 3.65Å; F261-H265 AromaticContact CZ-NE2 3.64Å; F261-H265 PolarHBondContact O-CD2 3.48Å; F261-H265 VanDerWaalsContact O-CD2 3.31Å; N263-H265 PolarHBondContact O-N 3.32Å; H265-G269 PolarHBondContact O-N 3.4Å; H265-G269 VanDerWaalsContact O-N 3.09Å
266Q98.3Very high97.8Very high104 Ų10467.3 Ų67.349%0.48637%0.365SS..Hα-helixtrans-67.8-46.5172.8-69.3175.73800111.5K262 N263 G269 Q270K262-Q266 WeakPolarHBondContact O-CG 3.41Å; K262-Q266 PolarHBondContact O-N 2.86Å; N263-Q266 CarbonylContact O-C 3.44Å; N263-Q266 WeakPolarHBondContact O-CA 3.44Å; N263-Q266 WeakPolarHBondContact O-CB 3.39Å; N263-Q266 PolarHBondContact O-N 3.27Å; Q266-G269 CarbonylContact O-C 3.47Å; Q266-G269 PolarHBondContact O-N 3.08Å; Q266-Q270 WeakPolarHBondContact O-CG 3.48Å; Q266-Q270 PolarHBondContact O-N 3.09Å
267D98.4Very high97.9Very high57 Ų5768.9 Ų68.931%0.30537%0.367SS..Hα-helixtrans-63.6-43.2-179.2-59.4-31.4000111.1R90 N263 Q270 T271R90-D267 IonicContact CZ-OD2 2.91Å; R90-D267 VanDerWaalsContact CZ-OD2 3.29Å; R90-D267 IonicContact NH1-OD2 3.65Å; R90-D267 PolarHBondContact NH1-OD2 3.11Å; R90-D267 IonicContact NH2-OD2 3.78Å; R90-D267 PolarHBondContact NH2-OD2 2.79Å; N263-D267 WeakPolarHBondContact O-CB 3.24Å; N263-D267 PolarHBondContact O-N 3.25Å; D267-Q270 PolarHBondContact O-N 2.77Å; D267-T271 WeakPolarHBondContact O-CB 3.41Å; D267-T271 PolarHBondContact O-N 3.02Å; D267-T271 PolarHBondContact O-OG1 3.31Å
268L98.6Very high98Very high27 Ų2769.6 Ų69.614%0.14137%0.366CS..Hα-helixtrans-56-53.5170.217561.4000111.1A83 F84 A87 L264 Q270 T271 I272A83-L268 HydrophobicContact CB-CD1 3.67Å; F84-L268 HydrophobicContact CD1-CD1 4.17Å; F84-L268 HydrophobicContact CD1-CD2 4.36Å; F84-L268 HydrophobicContact CD2-CD1 4.11Å; F84-L268 HydrophobicContact CE1-CD1 4.44Å; F84-L268 HydrophobicContact CE1-CD2 4.48Å; F84-L268 HydrophobicContact CE2-CD1 4.38Å; F84-L268 HydrophobicContact CG-CD1 4.01Å; A87-L268 HydrophobicContact CB-CB 4.33Å; A87-L268 HydrophobicContact CB-CD1 4.48Å; A87-L268 HydrophobicContact CB-CD2 4.01Å; L264-L268 VanDerWaalsContact O-CB 3.28Å; L264-L268 WeakPolarHBondContact O-CB 3.43Å; L264-L268 PolarHBondContact O-N 2.96Å; L264-L268 VanDerWaalsContact O-N 3.08Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.29Å; L268-T271 PolarHBondContact O-N 3.47Å; L268-I272 HydrophobicContact CD1-CD1 3.72Å; L268-I272 HydrophobicContact CD1-CG1 4.24Å; L268-I272 HydrophobicContact CG-CD1 3.89Å; L268-I272 WeakPolarHBondContact O-CG1 3.5Å; L268-I272 PolarHBondContact O-N 3.34Å
269G98.4Very high98.2Very high17 Ų1772.7 Ų72.718%0.17538%0.381CS..Hα-helixtrans-65-28.2-179.800000113.9H265 Q266 R273H265-G269 PolarHBondContact O-N 3.4Å; H265-G269 VanDerWaalsContact O-N 3.09Å; Q266-G269 CarbonylContact O-C 3.47Å; Q266-G269 PolarHBondContact O-N 3.08Å; G269-R273 VanDerWaalsContact O-CG 3.25Å; G269-R273 WeakPolarHBondContact O-CG 3.38Å; G269-R273 PolarHBondContact O-N 2.76Å; G269-R273 PolarHBondContact O-NH1 3.16Å
270Q98.6Very high98.3Very high113 Ų11368.7 Ų68.753%0.52836%0.359SS..Hα-helixtrans-72.7-45.9172.8-75176.753.900110.8Q266 D267 L268 I272 R273 A274Q266-Q270 WeakPolarHBondContact O-CG 3.48Å; Q266-Q270 PolarHBondContact O-N 3.09Å; D267-Q270 PolarHBondContact O-N 2.77Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.29Å; Q270-I272 PolarHBondContact O-N 3.43Å; Q270-R273 PolarHBondContact O-N 2.99Å; Q270-R273 VanDerWaalsContact O-N 3.16Å; Q270-A274 PolarHBondContact O-N 2.95Å; Q270-A274 VanDerWaalsContact O-N 3.09Å
271T98.6Very high98.4Very high51 Ų5171.4 Ų71.431%0.31337%0.369SS..Hα-helixtrans-64.5-39.2-178.5-49.60000111.9A83 D267 L268 R273 A274A83-T271 HydrophobicContact CB-CG2 3.8Å; D267-T271 WeakPolarHBondContact O-CB 3.41Å; D267-T271 PolarHBondContact O-N 3.02Å; D267-T271 PolarHBondContact O-OG1 3.31Å; L268-T271 PolarHBondContact O-N 3.47Å; T271-R273 PolarHBondContact O-N 3.06Å; T271-A274 PolarHBondContact O-N 3.26Å
272I98.7Very high98.4Very high69 Ų6976 Ų7635%0.35439%0.385SS..Hα-helixtrans-62.8-41.5173.8-65.7164.4000111.4F84 L268 Q270 A274 A275F84-I272 HydrophobicContact CE1-CD1 4.34Å; F84-I272 HydrophobicContact CE2-CD1 3.63Å; F84-I272 HydrophobicContact CE2-CG1 4.04Å; F84-I272 HydrophobicContact CZ-CD1 3.52Å; F84-I272 HydrophobicContact CZ-CG1 4.4Å; L268-I272 HydrophobicContact CD1-CD1 3.72Å; L268-I272 HydrophobicContact CD1-CG1 4.24Å; L268-I272 HydrophobicContact CG-CD1 3.89Å; L268-I272 WeakPolarHBondContact O-CG1 3.5Å; L268-I272 PolarHBondContact O-N 3.34Å; Q270-I272 PolarHBondContact O-N 3.43Å; I272-A274 PolarHBondContact O-N 2.93Å; I272-A275 WeakPolarHBondContact O-CB 3.26Å; I272-A275 PolarHBondContact O-N 2.87Å
273R98.7Very high98.4Very high202 Ų20278 Ų7876%0.76239%0.39SS*.Hα-helixtrans-71.4-12.2177-69.9178-166.4105.9-9.3113.7G269 Q270 T271G269-R273 VanDerWaalsContact O-CG 3.25Å; G269-R273 WeakPolarHBondContact O-CG 3.38Å; G269-R273 PolarHBondContact O-N 2.76Å; G269-R273 PolarHBondContact O-NH1 3.16Å; Q270-R273 PolarHBondContact O-N 2.99Å; Q270-R273 VanDerWaalsContact O-N 3.16Å; T271-R273 PolarHBondContact O-N 3.06Å
274A98.6Very high98.5Very high65 Ų6580.2 Ų80.254%0.53739%0.394SS..THydrogen-bonded Turntrans-90.5-1.2175.300000113.5Q270 T271 I272 N276Q270-A274 PolarHBondContact O-N 2.95Å; Q270-A274 VanDerWaalsContact O-N 3.09Å; T271-A274 PolarHBondContact O-N 3.26Å; I272-A274 PolarHBondContact O-N 2.93Å; A274-N276 PolarHBondContact O-N 2.98Å
275A98.6Very high98.5Very high40 Ų4085.8 Ų85.833%0.33142%0.415SS..  trans-64.7130.2168.700000110.4A80 I272A80-A275 HydrophobicContact CB-CB 4.07Å; I272-A275 WeakPolarHBondContact O-CB 3.26Å; I272-A275 PolarHBondContact O-N 2.87Å
276N98.6Very high98.5Very high49 Ų4985.1 Ų85.126%0.26241%0.414SS..  trans-135.7101-170.4-173.6-14.8000110.7T76 A274 T278 E279 D280T76-N276 PolarHBondContact OG1-N 3.16Å; T76-N276 PolarHBondContact OG1-O 3.42Å; A274-N276 PolarHBondContact O-N 2.98Å; N276-T278 PolarHBondContact O-N 3.28Å; N276-T278 WeakPolarHBondContact OD1-CB 3.39Å; N276-T278 PolarHBondContact OD1-N 3.48Å; N276-T278 VanDerWaalsContact OD1-N 3.11Å; N276-E279 HydrophobicContact CB-CB 4.1Å; N276-E279 HydrophobicContact CB-CG 4.29Å; N276-E279 VanDerWaalsContact ND2-CD 3.27Å; N276-E279 WeakPolarHBondContact ND2-CG 3.38Å; N276-E279 PolarHBondContact ND2-OE1 2.93Å; N276-E279 PolarHBondContact O-N 3.25Å; N276-E279 VanDerWaalsContact O-N 3.12Å; N276-E279 PolarHBondContact OD1-N 3.45Å; N276-D280 PolarHBondContact O-N 3.48Å; N276-D280 VanDerWaalsContact O-N 3.08Å
277D98.6Very high98.5Very high113 Ų11382.6 Ų82.660%0.60441%0.406SS*.Hα-helixtrans-54.4-36.6178.670.9-27000112.9D280 L281D277-D280 PolarHBondContact O-N 3.3Å; D277-L281 VanDerWaalsContact O-CB 3.25Å; D277-L281 WeakPolarHBondContact O-CB 3.42Å; D277-L281 WeakPolarHBondContact O-CG 3.46Å; D277-L281 PolarHBondContact O-N 2.98Å
278T98.7Very high98.5Very high74 Ų7484.8 Ų84.845%0.45441%0.414SS..Hα-helixtrans-77.2-22.6-175.6-62.20000112.2N276 R282N276-T278 PolarHBondContact O-N 3.28Å; N276-T278 WeakPolarHBondContact OD1-CB 3.39Å; N276-T278 PolarHBondContact OD1-N 3.48Å; N276-T278 VanDerWaalsContact OD1-N 3.11Å; T278-R282 WeakPolarHBondContact O-CB 3.41Å
279E98.6Very high98.4Very high101 Ų10184.5 Ų84.547%0.47242%0.418SS..Hα-helixtrans-80.9-46.9168.2-78.3174.7-143.500111.1N276 R282 W283N276-E279 HydrophobicContact CB-CB 4.1Å; N276-E279 HydrophobicContact CB-CG 4.29Å; N276-E279 VanDerWaalsContact ND2-CD 3.27Å; N276-E279 WeakPolarHBondContact ND2-CG 3.38Å; N276-E279 PolarHBondContact ND2-OE1 2.93Å; N276-E279 PolarHBondContact O-N 3.25Å; N276-E279 VanDerWaalsContact O-N 3.12Å; N276-E279 PolarHBondContact OD1-N 3.45Å; E279-R282 WeakPolarHBondContact O-CB 3.33Å; E279-R282 PolarHBondContact O-N 3.13Å; E279-W283 PolarHBondContact O-N 3.2Å
280D98.7Very high98.3Very high17 Ų1789.1 Ų89.19%0.09145%0.445CS..Hα-helixtrans-64-45.6-177.5-70.87.7000111.6Y74 T76 L77 N276 D277 R282 W283 W284Y74-D280 HydrophobicContact CE2-CB 4.09Å; T76-D280 WeakPolarHBondContact CB-OD1 3.37Å; T76-D280 WeakPolarHBondContact CG2-OD1 3.48Å; T76-D280 VanDerWaalsContact N-CG 3.32Å; T76-D280 PolarHBondContact N-OD1 3.38Å; T76-D280 PolarHBondContact N-OD2 3.02Å; T76-D280 VanDerWaalsContact N-OD2 3.09Å; T76-D280 PolarHBondContact OG1-OD1 2.75Å; T76-D280 PolarHBondContact OG1-OD2 2.68Å; T76-D280 VanDerWaalsContact OG1-OD2 3.08Å; L77-D280 PolarHBondContact N-OD2 3.5Å; N276-D280 PolarHBondContact O-N 3.48Å; N276-D280 VanDerWaalsContact O-N 3.08Å; D277-D280 PolarHBondContact O-N 3.3Å; D280-R282 VanDerWaalsContact C-N 3.32Å; D280-R282 PolarHBondContact O-N 2.97Å; D280-W283 PolarHBondContact O-N 3.35Å; D280-W284 PolarHBondContact O-N 2.97Å
281L98.7Very high98.3Very high111 Ų11185.3 Ų85.358%0.58144%0.436SS*.Hα-helixtrans-65.1-33.5175-70.1171.6000112.6D277 R285D277-L281 VanDerWaalsContact O-CB 3.25Å; D277-L281 WeakPolarHBondContact O-CB 3.42Å; D277-L281 WeakPolarHBondContact O-CG 3.46Å; D277-L281 PolarHBondContact O-N 2.98Å; L281-R285 WeakPolarHBondContact O-CB 3.26Å; L281-R285 PolarHBondContact O-N 3.37Å
282R98.6Very high98.2Very high147 Ų14788 Ų8856%0.55545%0.446SS*.Hα-helixtrans-71-40.1176.6-177.1-171.7-54.5169.84.6111.3T278 E279 D280 N286T278-R282 WeakPolarHBondContact O-CB 3.41Å; E279-R282 WeakPolarHBondContact O-CB 3.33Å; E279-R282 PolarHBondContact O-N 3.13Å; D280-R282 VanDerWaalsContact C-N 3.32Å; D280-R282 PolarHBondContact O-N 2.97Å; R282-N286 VanDerWaalsContact O-CG 3.28Å; R282-N286 PolarHBondContact O-N 2.9Å; R282-N286 PolarHBondContact O-ND2 3Å
283W98.5Very high98.1Very high121 Ų12190.3 Ų90.346%0.45847%0.468SS..Hα-helixtrans-60.2-53.4172.5-179.886000110.2Y74 E279 D280 R285 N286 T287 H288Y74-W283 HydrophobicContact CD1-CZ3 4.45Å; Y74-W283 AromaticContact CD2-CE3 3.53Å; Y74-W283 HydrophobicContact CD2-CE3 3.53Å; Y74-W283 AromaticContact CD2-CZ3 3.63Å; Y74-W283 HydrophobicContact CD2-CZ3 3.63Å; Y74-W283 AromaticContact CE2-CE3 3.9Å; Y74-W283 HydrophobicContact CE2-CE3 3.9Å; Y74-W283 HydrophobicContact CE2-CZ3 4.18Å; Y74-W283 HydrophobicContact CG-CE3 4.18Å; Y74-W283 AromaticContact CG-CZ3 3.78Å; Y74-W283 HydrophobicContact CG-CZ3 3.78Å; E279-W283 PolarHBondContact O-N 3.2Å; D280-W283 PolarHBondContact O-N 3.35Å; W283-R285 VanDerWaalsContact C-N 3.34Å; W283-R285 PolarHBondContact O-N 3.12Å; W283-N286 PolarHBondContact O-N 3.45Å; W283-T287 HydrophobicContact CH2-CG2 4.21Å; W283-T287 HydrophobicContact CZ2-CG2 3.91Å; W283-T287 PolarHBondContact O-N 2.73Å; W283-T287 PolarHBondContact O-OG1 3.32Å; W283-T287 VanDerWaalsContact O-OG1 3.09Å; W283-H288 AromaticContact CH2-NE2 3.88Å
284W98.6Very high98Very high113 Ų11385.6 Ų85.643%0.42846%0.456SS..Hα-helixtrans-57.3-44.7179.5-171.3-87000112.7Y74 D280 N286 T287 H288 G289Y74-W284 AromaticContact CD1-CE3 3.85Å; Y74-W284 HydrophobicContact CD1-CE3 3.85Å; Y74-W284 AromaticContact CD1-CZ3 3.8Å; Y74-W284 HydrophobicContact CD1-CZ3 3.8Å; Y74-W284 HydrophobicContact CD2-CE3 4.49Å; Y74-W284 HydrophobicContact CE1-CD2 4.23Å; Y74-W284 AromaticContact CE1-CE3 3.27Å; Y74-W284 HydrophobicContact CE1-CE3 3.27Å; Y74-W284 AromaticContact CE1-CZ3 3.46Å; Y74-W284 HydrophobicContact CE1-CZ3 3.46Å; Y74-W284 VanDerWaalsContact CE1-CZ3 3.46Å; Y74-W284 HydrophobicContact CE2-CB 4.23Å; Y74-W284 AromaticContact CE2-CE3 3.99Å; Y74-W284 HydrophobicContact CE2-CE3 3.99Å; Y74-W284 HydrophobicContact CG-CE3 4.43Å; Y74-W284 AromaticContact CZ-CD2 4Å; Y74-W284 AromaticContact CZ-CE3 3.35Å; D280-W284 PolarHBondContact O-N 2.97Å; W284-N286 PolarHBondContact O-N 3.37Å; W284-T287 PolarHBondContact O-N 2.86Å; W284-H288 HydrophobicContact CD2-CB 4.26Å; W284-H288 AromaticContact CD2-CD2 3.96Å; W284-H288 AromaticContact CE3-CD2 3.67Å; W284-H288 AromaticContact CH2-CD2 3.96Å; W284-H288 HydrophobicContact CZ2-CB 4.17Å; W284-H288 AromaticContact CZ3-CD2 3.68Å; W284-H288 PolarHBondContact O-N 2.92Å; W284-G289 PolarHBondContact O-N 2.87Å
285R98.3Very high97.8Very high119 Ų11989.8 Ų89.845%0.44947%0.47SS..Hα-helixtrans-55.5-36.7176.7-173.1-167.1173.5-70.2-13.2112.3L281 W283 G289 P290 G291L281-R285 WeakPolarHBondContact O-CB 3.26Å; L281-R285 PolarHBondContact O-N 3.37Å; W283-R285 VanDerWaalsContact C-N 3.34Å; W283-R285 PolarHBondContact O-N 3.12Å; R285-G289 CarbonylContact O-C 3.46Å; R285-G289 WeakPolarHBondContact O-CA 3.34Å; R285-G289 PolarHBondContact O-N 3.2Å; R285-P290 PolarHBondContact NH1-O 3.18Å; R285-P290 PolarHBondContact NH2-O 2.85Å; R285-G291 WeakPolarHBondContact O-CA 3.39Å; R285-G291 PolarHBondContact O-N 2.81Å
286N98.2Very high97.5Very high77 Ų7796.9 Ų96.941%0.41249%0.488SS..Hα-helixtrans-91.2-30.3-174.1-64.9-11000112.9R282 W283 W284 M292R282-N286 VanDerWaalsContact O-CG 3.28Å; R282-N286 PolarHBondContact O-N 2.9Å; R282-N286 PolarHBondContact O-ND2 3Å; W283-N286 PolarHBondContact O-N 3.45Å; W284-N286 PolarHBondContact O-N 3.37Å; N286-M292 VanDerWaalsContact O-CG 3.27Å; N286-M292 WeakPolarHBondContact O-CG 3.39Å; N286-M292 PolarHBondContact O-N 3.08Å
287T97.8Very high97.3Very high52 Ų52100.1 Ų100.132%0.31951%0.512SS..Hα-helixtrans-86.6-32.2179.1-48.80000113W283 W284 M292W283-T287 HydrophobicContact CH2-CG2 4.21Å; W283-T287 HydrophobicContact CZ2-CG2 3.91Å; W283-T287 PolarHBondContact O-N 2.73Å; W283-T287 PolarHBondContact O-OG1 3.32Å; W283-T287 VanDerWaalsContact O-OG1 3.09Å; W284-T287 PolarHBondContact O-N 2.86Å; T287-M292 WeakPolarHBondContact O-CE 3.26Å; T287-M292 VanDerWaalsContact O-SD 3.35Å
288H97.1Very high97Very high102 Ų102103 Ų10347%0.47252%0.521SS..Hα-helixtrans-135.711.8-170.8-60.3-54.2000114.5W283 W284W283-H288 AromaticContact CH2-NE2 3.88Å; W284-H288 HydrophobicContact CD2-CB 4.26Å; W284-H288 AromaticContact CD2-CD2 3.96Å; W284-H288 AromaticContact CE3-CD2 3.67Å; W284-H288 AromaticContact CH2-CD2 3.96Å; W284-H288 HydrophobicContact CZ2-CB 4.17Å; W284-H288 AromaticContact CZ3-CD2 3.68Å; W284-H288 PolarHBondContact O-N 2.92Å
289G96.9Very high96.6Very high21 Ų21108 Ų10822%0.21654%0.538CS..SBendtrans-145.9-159.9-172.100000114.9W284 R285 G291 M292W284-G289 PolarHBondContact O-N 2.87Å; R285-G289 CarbonylContact O-C 3.46Å; R285-G289 WeakPolarHBondContact O-CA 3.34Å; R285-G289 PolarHBondContact O-N 3.2Å; G289-G291 PolarHBondContact O-N 2.87Å; G289-M292 WeakPolarHBondContact O-CB 3.49Å; G289-M292 WeakPolarHBondContact O-CG 3.19Å; G289-M292 PolarHBondContact O-N 3.04Å
290P97.8Very high96.1Very high114 Ų114111.3 Ų111.374%0.7455%0.553SS**THydrogen-bonded Turntrans-66.516-175.6-2335.3000116.8R285R285-P290 PolarHBondContact NH1-O 3.18Å; R285-P290 PolarHBondContact NH2-O 2.85Å
291G97.1Very high95.6Very high33 Ų33118.4 Ų118.434%0.3459%0.586SS.*THydrogen-bonded Turntrans-105.1-8.3165.800000114.3R285 G289R285-G291 WeakPolarHBondContact O-CA 3.39Å; R285-G291 PolarHBondContact O-N 2.81Å; G289-G291 PolarHBondContact O-N 2.87Å
292M97.9Very high94.8Very high109 Ų109123 Ų12354%0.53760%0.595SS.*SBendtrans-63.5145.7170-62.1176.582.200110.4N286 T287 G289N286-M292 VanDerWaalsContact O-CG 3.27Å; N286-M292 WeakPolarHBondContact O-CG 3.39Å; N286-M292 PolarHBondContact O-N 3.08Å; T287-M292 WeakPolarHBondContact O-CE 3.26Å; T287-M292 VanDerWaalsContact O-SD 3.35Å; G289-M292 WeakPolarHBondContact O-CB 3.49Å; G289-M292 WeakPolarHBondContact O-CG 3.19Å; G289-M292 PolarHBondContact O-N 3.04Å
293S95.9Very high94Very high116 Ų116118.4 Ų118.481%0.81159%0.586SS**  trans-65.7134.8171.452.90000111.1
294M95.6Very high92.6Very high104 Ų104117 Ų11751%0.51259%0.592SS.*  trans-122.4122.5173.5176.956-17400110.7W296M294-W296 VanDerWaalsContact C-N 3.3Å; M294-W296 HydrophobicContact CB-CD2 4.36Å; M294-W296 HydrophobicContact CB-CZ2 4.05Å; M294-W296 HydrophobicContact CE-CE3 4.14Å; M294-W296 HydrophobicContact CE-CZ3 4.39Å; M294-W296 HydrophobicContact CG-CD2 3.55Å; M294-W296 VanDerWaalsContact CG-CE2 3.47Å; M294-W296 HydrophobicContact CG-CE3 3.86Å; M294-W296 HydrophobicContact CG-CG 4.04Å; M294-W296 HydrophobicContact CG-CH2 4.03Å; M294-W296 HydrophobicContact CG-CZ2 3.73Å; M294-W296 HydrophobicContact CG-CZ3 4.09Å; M294-W296 PolarHBondContact O-N 2.85Å
295N94.5Very high91Very high153 Ų153117 Ų11782%0.81860%0.6SS**  trans-79.682.7169.3-67.3-14.1000108.2
296W93.6Very high89.2Confident188 Ų188114.7 Ų114.771%0.71260%0.603SS**  trans-58.9144176.8-64.3106.1000111.2M294 Q298M294-W296 VanDerWaalsContact C-N 3.3Å; M294-W296 HydrophobicContact CB-CD2 4.36Å; M294-W296 HydrophobicContact CB-CZ2 4.05Å; M294-W296 HydrophobicContact CE-CE3 4.14Å; M294-W296 HydrophobicContact CE-CZ3 4.39Å; M294-W296 HydrophobicContact CG-CD2 3.55Å; M294-W296 VanDerWaalsContact CG-CE2 3.47Å; M294-W296 HydrophobicContact CG-CE3 3.86Å; M294-W296 HydrophobicContact CG-CG 4.04Å; M294-W296 HydrophobicContact CG-CH2 4.03Å; M294-W296 HydrophobicContact CG-CZ2 3.73Å; M294-W296 HydrophobicContact CG-CZ3 4.09Å; M294-W296 PolarHBondContact O-N 2.85Å; W296-Q298 PolarHBondContact O-N 2.83Å
297P94.1Very high87.2Confident118 Ų118115.5 Ų115.577%0.76661%0.614SS**  trans-53.7126.3178.2-27.235.3000112
298Q92.1Very high85.3Confident172 Ų172122.1 Ų122.180%0.80463%0.633SS**  trans-114.1179.7172.4-61.1-166.73.100109.4W296 E300W296-Q298 PolarHBondContact O-N 2.83Å; Q298-E300 PolarHBondContact O-N 3Å
299F89.7Confident83.1Confident181 Ų181121.8 Ų121.879%0.79464%0.643SS**PPolyproline II helixtrans-72.2118.6172.8177.4-97.1000109.9E301F299-E301 HydrophobicContact CE1-CG 3.86Å
300E89.3Confident81Confident169 Ų169129 Ų12979%0.7967%0.674SS**PPolyproline II helixtrans-98.2127.9174.4-67177-172.300109.5Q298Q298-E300 PolarHBondContact O-N 3Å
301E87.4Confident78.5Confident167 Ų167128 Ų12878%0.7867%0.67SS**PPolyproline II helixtrans-71.3131.2173.1-75.6-169.4162.100110.8F299 S303F299-E301 HydrophobicContact CE1-CG 3.86Å; E301-S303 PolarHBondContact O-N 2.92Å
302W82.9Confident76.1Confident206 Ų206138.1 Ų138.178%0.7870%0.698SS**PPolyproline II helixtrans-65.9124176.3-179.784.3000110.6
303S80.5Confident73.5Confident51 Ų51142.2 Ų142.236%0.35771%0.713SS.*  trans-125153.1176.360.70000110.4E301 D305 S306E301-S303 PolarHBondContact O-N 2.92Å; S303-D305 PolarHBondContact O-N 2.84Å; S303-D305 VanDerWaalsContact O-N 3.17Å; S303-S306 PolarHBondContact O-N 3.42Å; S303-S306 VanDerWaalsContact O-N 3.1Å; S303-S306 PolarHBondContact O-OG 2.83Å
304P70.1Confident70.8Confident92 Ų92146.2 Ų146.260%0.59772%0.719SS**G310 helixtrans-56.4-34.2179.7-27.636.4000113.8S307P304-S307 WeakPolarHBondContact O-CB 3.21Å; P304-S307 PolarHBondContact O-OG 3.03Å
305D64.3Low68Low112 Ų112153.3 Ų153.360%0.59974%0.74SS**G310 helixtrans-74.4-21.9-180-70.1-68.9000114.2S303 S307 R308S303-D305 PolarHBondContact O-N 2.84Å; S303-D305 VanDerWaalsContact O-N 3.17Å; D305-S307 PolarHBondContact O-N 3.05Å; D305-S307 VanDerWaalsContact O-N 3.08Å; D305-R308 PolarHBondContact O-N 2.95Å; D305-R308 IonicContact OD1-NH2 3.69Å
306S61.3Low65.2Low72 Ų72150.1 Ų150.150%0.50374%0.744SS.*G310 helixtrans-721.1176.580.20000113.6S303 R308S303-S306 PolarHBondContact O-N 3.42Å; S303-S306 VanDerWaalsContact O-N 3.1Å; S303-S306 PolarHBondContact O-OG 2.83Å; S306-R308 VanDerWaalsContact C-N 3.29Å
307S55.3Low62.2Low93 Ų93145 Ų14565%0.6575%0.749SS**G310 helixtrans-76.1-10.1174.162.40000114.3P304 D305 S309P304-S307 WeakPolarHBondContact O-CB 3.21Å; P304-S307 PolarHBondContact O-OG 3.03Å; D305-S307 PolarHBondContact O-N 3.05Å; D305-S307 VanDerWaalsContact O-N 3.08Å; S307-S309 PolarHBondContact O-N 2.84Å
308R57.8Low59.4Low191 Ų191147 Ų14772%0.72175%0.753SS**SBendtrans-79105.2176.5-59.8-174.9-164.8-168.39110.4D305 S306 I310D305-R308 PolarHBondContact O-N 2.95Å; D305-R308 IonicContact OD1-NH2 3.69Å; S306-R308 VanDerWaalsContact C-N 3.29Å; R308-I310 PolarHBondContact O-N 3.35Å
309S50.7Low56.6Low96 Ų96144 Ų14467%0.67175%0.751SS**  trans-59.7127.8176.255.20000111.3S307 S311S307-S309 PolarHBondContact O-N 2.84Å; S309-S311 PolarHBondContact O-N 2.66Å; S309-S311 PolarHBondContact O-OG 2.91Å; S309-S311 PolarHBondContact OG-OG 3.1Å
310I53.4Low54.1Low171 Ų171143.4 Ų143.488%0.87775%0.751SS**  trans-72.778.5179.2-56179.7000109.3R308 R312R308-I310 PolarHBondContact O-N 3.35Å; I310-R312 PolarHBondContact O-N 3.48Å
311S44.1Very low51.9Low94 Ų94143.6 Ų143.666%0.65775%0.752SS**  trans-80.1104.6-179.3-62.50000109.1S309 K313S309-S311 PolarHBondContact O-N 2.66Å; S309-S311 PolarHBondContact O-OG 2.91Å; S309-S311 PolarHBondContact OG-OG 3.1Å; S311-K313 PolarHBondContact O-N 2.95Å
312R48Very low49.2Very low246 Ų246143 Ų14393%0.92875%0.754SS**  trans-68.475.1-167.8-171.4-169.8-178.9-176.51.7114.1I310I310-R312 PolarHBondContact O-N 3.48Å
313K43.9Very low46.9Very low195 Ų195138.7 Ų138.785%0.84875%0.75SS**  trans-165.6109.6160.8-138.1176.6-173.5177.30114S311S311-K313 PolarHBondContact O-N 2.95Å
314E37.3Very low44.7Very low200 Ų200141.8 Ų141.894%0.93577%0.767SS**  trans-144.3159.9142.8-78.9-141.3129.800108.8
315R37.2Very low43Very low252 Ų252142.3 Ų142.395%0.95177%0.768SS**  trans-144.9100.7-166.3-169-171.2-163.8-168.96.9111.5
316G36.3Very low41.5Very low87 Ų87145 Ų14590%0.89778%0.781SS**  trans96.4121.6169.700000114.5
317G30.5Very low40.2Very low79 Ų79147.1 Ų147.181%0.81479%0.792SS**  trans-177108.3174.200000108.5
318N36.4Very low39.1Very low160 Ų160150.5 Ų150.586%0.85680%0.803SS**  trans-90.9120.6-171-173.751.6000111.8
319S32.9Very low38Very low109 Ų109149.5 Ų149.576%0.76281%0.81SS**  trans-161132.3164.155.20000110.2
320E36Very low37.1Very low170 Ų170151.5 Ų151.579%0.79482%0.818SS**  trans-79.6172.8-179.7-66.8163.9115.800112.5
321E42.8Very low36.1Very low173 Ų173148.4 Ų148.481%0.80881%0.811SS**  trans44.895.1166.9-60.3-162.3139.600118.4
322N32.6Very low35.5Very low155 Ų155149.8 Ų149.883%0.82982%0.821SS**  trans-133.687.1146.3-108.5-70000110.3V324N322-V324 PolarHBondContact O-N 3.41Å; N322-V324 VanDerWaalsContact O-N 3.15Å
323V34Very low34.6Very low114 Ų114142.2 Ų142.269%0.69182%0.819SS**  trans-74.896.6171.21760000108.5T325V323-T325 HydrophobicContact CG1-CG2 3.74Å; V323-T325 PolarHBondContact O-N 3.29Å
324V33.1Very low34Very low117 Ų117137 Ų13771%0.70982%0.821SS**  trans-81.366.8177.6-169.10000110.6N322 L326N322-V324 PolarHBondContact O-N 3.41Å; N322-V324 VanDerWaalsContact O-N 3.15Å; V324-L326 PolarHBondContact O-N 3.21Å
325T34.9Very low33.7Very low102 Ų102130.8 Ų130.863%0.62681%0.811SS**  trans-88.791.6166.346.30000110.2V323 T327V323-T325 HydrophobicContact CG1-CG2 3.74Å; V323-T325 PolarHBondContact O-N 3.29Å; T325-T327 VanDerWaalsContact C-N 3.27Å; T325-T327 PolarHBondContact O-N 3.02Å; T325-T327 VanDerWaalsContact O-N 3.1Å
326L32.3Very low33.4Very low168 Ų168127 Ų12788%0.8881%0.809SS**  trans-83.371.5168.6-82.2170000111.2V324V324-L326 PolarHBondContact O-N 3.21Å
327T35.5Very low33.3Very low118 Ų118127 Ų12772%0.72480%0.8SS**  trans-80120165.4430000110.8T325 I329T325-T327 VanDerWaalsContact C-N 3.27Å; T325-T327 PolarHBondContact O-N 3.02Å; T325-T327 VanDerWaalsContact O-N 3.1Å; T327-I329 PolarHBondContact O-N 2.98Å
328N31.6Very low33.9Very low164 Ų164128.8 Ų128.888%0.87780%0.798SS**  trans-79.1111160.8-90.8-21.6000109.7
329I35.4Very low34.6Very low170 Ų170126.4 Ų126.487%0.87279%0.791SS**  trans-167.2159.4154.5-101.9149.4000109T327T327-I329 PolarHBondContact O-N 2.98Å
330V32Very low34.5Very low138 Ų138126.3 Ų126.384%0.83679%0.79SS**  trans-93151.9-158.4-176.60000114
331S30.6Very low34.9Very low105 Ų105123.7 Ų123.773%0.73479%0.788SS**  trans-59.6158.1-176.8-330000117.2
332S31.7Very low34.2Very low124 Ų124123.1 Ų123.187%0.86779%0.789SS**  171.9126.9118.5-750000115.3
333G30Very low34.6Very low86 Ų86120.3 Ų120.389%0.88779%0.787SS**  trans73.3148.2166.100000116.8
334G30.6Very low34.5Very low87 Ų87122.9 Ų122.990%0.89779%0.794SS**  cis113.1120.20.300000112.8
335G30.9Very low34.5Very low69 Ų69124.3 Ų124.371%0.71179%0.793SS**  cis-173.5-167.3-1.300000112
336D32.1Very low34.5Very low173 Ų173125.8 Ų125.893%0.92580%0.802SS**  trans66.9142.7170.5-65.5-20.1000118.8
337A32.6Very low34.3Very low85 Ų85121.6 Ų121.670%0.70280%0.799SS**  cis-157.8-152.4-11.700000111.1
338P43.8Very low34.2Very low118 Ų118127 Ų12777%0.76681%0.806SS**  -128.3-145.9-122.438.6-13000116
339P51.4Low34.3Very low109 Ų109125.5 Ų125.571%0.70880%0.802SS**  -137.1-164.3-93.445.5-27.2000117.2
340S30.8Very low34.2Very low108 Ų108125.6 Ų125.676%0.75580%0.797SS**  trans88.1159.5157.1-62.10000119.7
341P43.5Very low34.2Very low115 Ų115125.1 Ų125.175%0.74779%0.789SS**  cis-131.7152.4-1.435.8-17.3000118.7
342I29.6Very low34.3Very low160 Ų160131.1 Ų131.182%0.82180%0.797SS**  trans4.3144.2142.7-60.2160000121
343A39.3Very low34.3Very low96 Ų96129.2 Ų129.279%0.79378%0.784SS**  trans-133.9156.8160.900000112.8
344M33Very low34.4Very low168 Ų168129.1 Ų129.183%0.82877%0.77SS**  trans-171154.1176.6-101.5-173.2157.900109.7
345E33.4Very low34.6Very low148 Ų148130.7 Ų130.769%0.69276%0.758SS**  cis-168.5169-15.8-149.7-158.7159.200112.3
346T34Very low34.6Very low133 Ų133138.8 Ų138.882%0.81677%0.767SS**  trans76.7139.1166.274.40000118.6
347G29.5Very low34.5Very low79 Ų79135.1 Ų135.181%0.81476%0.755SS**  cis178-164.93.400000110.8
348R32.9Very low34.5Very low232 Ų232137.6 Ų137.688%0.87576%0.756SS**  cis178.8135.1-7.3-179.3-176-174.4-170.23.3111.6
349V32.8Very low34Very low132 Ų132139.4 Ų139.480%0.876%0.755SS**  trans71.3148.5159.1152.20000117.4
350K32.9Very low32.8Very low173 Ų173142.7 Ų142.775%0.75276%0.76SS**  cis-146.8-147.83.7-139.5-177.8178.3-75.20114.6
351D32.3Very low33Very low128 Ų128141.9 Ų141.968%0.68475%0.754SS**  trans-112.2163.9-166.1-24.2-71000117.1
352Y32.5Very low33.2Very low231 Ų231140.8 Ų140.891%0.90675%0.747SS**  -156.5167.8116.6-165.9-109.4000113.4
353S31.9Very low33.3Very low84 Ų84141.4 Ų141.459%0.58774%0.744SS**  trans-66162.2-161.3-155.40000120.5
354S33.3Very low32.8Very low84 Ų84146.2 Ų146.259%0.58775%0.747SS**  trans-94-174.8155.153.60000110.6
355D33.2Very low32.6Very low119 Ų119141.8 Ų141.864%0.63674%0.738SS**  cis-136.2-170.810.2-63.8-93.1000108.8
356W31.3Very low32.3Very low239 Ų239143.1 Ų143.191%0.90575%0.748SS**  -169.6159.153.5-81.294.5000114.3
357S31.1Very low32.1Very low96 Ų96140.9 Ų140.967%0.67174%0.744SS**  trans-69.4175167.6-910000115.3
358D32.7Very low32Very low137 Ų137142.8 Ų142.873%0.73374%0.739SS**  cis-162.8175.2-1.6-118.8-47.2000112.5
359E32.2Very low32Very low157 Ų157139.3 Ų139.373%0.73474%0.738SS**  trans27.3136.2149.9-71.9-80.493.800121.3
360E27.7Very low31.7Very low178 Ų178136.9 Ų136.983%0.83274%0.739SS**  -162.9159.773.2-138.9-172.4155.300114
361S33.5Very low31.7Very low90 Ų90136.3 Ų136.363%0.62975%0.75SS**  trans-106.2-160.2169.4-68.70000109.8
362P48Very low31.5Very low92 Ų92133.6 Ų133.660%0.59775%0.752SS**  cis-153.8-168.93.844-21.3000119.3
363K32.2Very low31.4Very low174 Ų174132.1 Ų132.176%0.75775%0.754SS**  trans92.8116.7148-70.6157.3-163.8148.30122.8
364K29.5Very low31.5Very low196 Ų196132.7 Ų132.785%0.85276%0.764SS**  70.2151.7128.5-68.3-172.6175.4-172.30120.4
365A27.5Very low31.3Very low76 Ų76137.4 Ų137.463%0.62877%0.773SS**  cis-172.4157.6-1800000112
366L26.6Very low31.2Very low175 Ų175140.6 Ų140.692%0.91679%0.785SS**  trans37.2133.1144.7-60.8167.8000120.3
367A29.8Very low31.3Very low87 Ų87136.8 Ų136.872%0.71978%0.777SS**  cis-161.8-142.1-2.300000108.1
368V29.2Very low31.2Very low119 Ų119141.6 Ų141.672%0.72179%0.788SS**  cis-167.5155.713.3790000112.3
369N31.8Very low31.4Very low159 Ų159144.1 Ų144.185%0.8580%0.796SS**  trans52.8114.3161.9-68.8-6.8000122.3
370G27Very low31.4Very low80 Ų80145.7 Ų145.783%0.82580%0.803SS**  trans174.8112.6156.800000112.2
371V31.9Very low31.6Very low161 Ų161144.1 Ų144.198%0.97680%0.796SS**  trans-90.7136-172.2177.20000112.3
372G28.2Very low31.7Very low71 Ų71148.6 Ų148.673%0.73281%0.807SS**  trans-174.9142.3166.600000111.6
373E31.9Very low31.2Very low201 Ų201153 Ų15394%0.93982%0.82SS**  trans-103.7119.8-177-65176.1118.900112.2
374A33.4Very low31.7Very low96 Ų96148.1 Ų148.179%0.79381%0.811SS**  trans-171.1145144.400000108.1
375K28.1Very low33.2Very low183 Ų183148.1 Ų148.180%0.79682%0.815SS**  trans-106.3115167.3-84.3-172162.7-155.10108.8E377K375-E377 IonicContact NZ-OE1 3.06Å
376E31.3Very low35.3Very low186 Ų186145.5 Ų145.587%0.86980%0.795SS**  trans-104.4133.8154.1-67.2177.6161.500105.9
377E33.1Very low38.2Very low159 Ų159140.4 Ų140.474%0.74377%0.771SS**  trans-98.9109.3179.5-65.8-173.915900107.2K375 E379K375-E377 IonicContact NZ-OE1 3.06Å; E377-E379 PolarHBondContact O-N 3.32Å
378E30.7Very low41.2Very low196 Ų196138.6 Ų138.692%0.91676%0.756SS**  trans-70.1105.5179.5-65.9179.9141.600109.5
379E36.5Very low44.3Very low190 Ų190133 Ų13389%0.88872%0.722SS**  trans-69.8144.3167.6-68.2-170.2145.900110.5E377 E381E377-E379 PolarHBondContact O-N 3.32Å; E379-E381 PolarHBondContact O-N 2.95Å
380E32Very low47.3Very low191 Ų191131 Ų13189%0.89370%0.703SS**  trans-67.9125-171.3-59.4176.612700112E382E380-E382 PolarHBondContact O-N 3.42Å
381E31Very low50.6Low144 Ų144127.4 Ų127.467%0.67367%0.665SS**  trans-73.185.1173.2-79.5-147.9124.700111.7E379 Q383 R426E379-E381 PolarHBondContact O-N 2.95Å; E381-Q383 PolarHBondContact O-N 3.38Å; E381-R426 IonicContact OE1-CZ 2.64Å; E381-R426 IonicContact OE1-NH1 3.47Å; E381-R426 PolarHBondContact OE1-NH1 2.71Å; E381-R426 IonicContact OE1-NH2 3.54Å; E381-R426 PolarHBondContact OE1-NH2 2.88Å
382E35.7Very low53.5Low185 Ų185123.3 Ų123.386%0.86464%0.637SS**  trans-64.2120.1153.6-81.8-158.213100109.6E380 A384E380-E382 PolarHBondContact O-N 3.42Å; E382-A384 VanDerWaalsContact C-N 3.27Å; E382-A384 PolarHBondContact O-N 2.88Å
383Q37.2Very low56.6Low185 Ų185126.4 Ų126.486%0.86463%0.628SS**  trans-74.777.1175.1-70.6-174-7.300111.2E381E381-Q383 PolarHBondContact O-N 3.38Å
384A43.5Very low59.6Low70 Ų70120.9 Ų120.958%0.57961%0.605SS**  trans-70.1128.9167.700000110.8E382 G386E382-A384 VanDerWaalsContact C-N 3.27Å; E382-A384 PolarHBondContact O-N 2.88Å; A384-G386 PolarHBondContact O-N 2.79Å
385E60.4Low62.5Low197 Ų197117.4 Ų117.492%0.92157%0.571SS**  trans-7174175.5-67-171.2131.100111.5
386G72.1Confident65.7Low21 Ų21113.8 Ų113.822%0.21657%0.565CS.*PPolyproline II helixtrans-65.2137.3178.200000113.3A384 M412 K413A384-G386 PolarHBondContact O-N 2.79Å; G386-M412 VanDerWaalsContact N-CE 3.3Å; G386-K413 CarbonylContact C-O 3.59Å; G386-K413 WeakPolarHBondContact CA-O 3.24Å
387V88.1Confident68.6Low67 Ų67106 Ų10641%0.40653%0.534SS..EExtended strand (participates in β ladder)trans-76.8129.6-174.5178.20000110.7V389 K413 V442V387-V389 PolarHBondContact O-N 3.21Å; V387-K413 HydrophobicContact CB-CB 4.37Å; V387-K413 PolarHBondContact N-O 2.83Å; V387-K413 VanDerWaalsContact N-O 3.16Å; V387-K413 WeakPolarHBondContact O-CB 2.91Å; V387-K413 PolarHBondContact O-N 3.48Å; V387-V442 HydrophobicContact CG1-CG1 3.68Å; V387-V442 HydrophobicContact CG1-CG2 4.2Å
388A92.3Very high71.3Confident50 Ų50106.1 Ų106.141%0.41354%0.535SS..EExtended strand (participates in β ladder)trans-68.5128.6175.600000111.4I443A388-I443 HydrophobicContact CB-CB 4.28Å; A388-I443 HydrophobicContact CB-CD1 4.27Å; A388-I443 PolarHBondContact O-N 2.95Å
389V94.6Very high74.1Confident1 Ų1103.2 Ų103.21%0.00652%0.521CS..EExtended strand (participates in β ladder)trans-129.1149.4178.2-58.70000110.6V387 E410 L411 K413 V440 Q441 V442V387-V389 PolarHBondContact O-N 3.21Å; V389-E410 CarbonylContact O-C 3.59Å; V389-E410 WeakPolarHBondContact O-CA 3.29Å; V389-L411 HydrophobicContact CG2-CB 3.83Å; V389-L411 HydrophobicContact CG2-CD1 4.24Å; V389-L411 PolarHBondContact N-O 3.15Å; V389-L411 PolarHBondContact O-N 3.46Å; V389-K413 HydrophobicContact CG1-CB 4.09Å; V389-V440 HydrophobicContact CB-CB 4.02Å; V389-V440 HydrophobicContact CB-CG2 3.8Å; V389-V440 HydrophobicContact CG1-CG2 4.12Å; V389-V440 HydrophobicContact CG2-CB 4.09Å; V389-V440 HydrophobicContact CG2-CG1 4.25Å; V389-V440 HydrophobicContact CG2-CG2 3.95Å; V389-Q441 CarbonylContact C-O 3.58Å; V389-Q441 VanDerWaalsContact CA-O 3.29Å; V389-Q441 WeakPolarHBondContact CA-O 3.25Å; V389-V442 HydrophobicContact CG1-CG2 4.2Å
390R95.3Very high76.5Confident118 Ų11899.2 Ų99.245%0.44552%0.521SS..EExtended strand (participates in β ladder)trans-115.6133.4175.1-170.2175.8-69.9169.8-0.5110.7D409 E410 V440 Q441 I443R390-D409 CarbonylContact C-O 3.58Å; R390-D409 WeakPolarHBondContact CA-O 3.27Å; R390-D409 WeakPolarHBondContact CG-O 3.39Å; R390-E410 HydrophobicContact CB-CG 4.49Å; R390-E410 HydrophobicContact CG-CG 4.26Å; R390-E410 IonicContact CZ-OE1 3.27Å; R390-E410 IonicContact NE-OE1 2.81Å; R390-E410 PolarHBondContact NE-OE1 3.37Å; R390-E410 IonicContact NH2-OE1 3.18Å; R390-E410 PolarHBondContact NH2-OE1 3.19Å; R390-V440 CarbonylContact O-C 3.52Å; R390-V440 VanDerWaalsContact O-CA 3.24Å; R390-V440 WeakPolarHBondContact O-CA 3.48Å; R390-Q441 PolarHBondContact N-O 2.75Å; R390-Q441 PolarHBondContact O-N 3.45Å; R390-I443 HydrophobicContact CB-CD1 4Å; R390-I443 HydrophobicContact CB-CG1 3.95Å
391A95.1Very high79.4Confident4 Ų494.5 Ų94.53%0.03350%0.501CS..EExtended strand (participates in β ladder)trans-65131.117500000111.8F405 K406 G408 D409 L411A391-F405 HydrophobicContact CB-CD2 3.44Å; A391-F405 VanDerWaalsContact CB-CD2 3.44Å; A391-F405 HydrophobicContact CB-CE2 3.66Å; A391-K406 VanDerWaalsContact CB-O 3.24Å; A391-K406 WeakPolarHBondContact CB-O 3.26Å; A391-G408 PolarHBondContact O-N 2.83Å; A391-D409 PolarHBondContact N-O 3.46Å; A391-L411 HydrophobicContact CB-CD1 4.23Å
392L93.4Very high82.4Confident74 Ų7488.7 Ų88.739%0.38747%0.474SS..SBendtrans-88.8-26.4175.5-63.9177.4000112.3Y439 Q441L392-Y439 PolarHBondContact N-O 3.34Å; L392-Q441 HydrophobicContact CD1-CB 4.25Å; L392-Q441 HydrophobicContact CD2-CB 3.95Å; L392-Q441 HydrophobicContact CG-CB 4.19Å
393Y92.4Very high85.2Confident136 Ų13679.9 Ų79.953%0.53343%0.433SS..SBendtrans-138.2157.5-175-50.4-67.3000110.6Y439Y393-Y439 HydrophobicContact CD2-CD1 4.18Å; Y393-Y439 HydrophobicContact CD2-CE1 4.44Å; Y393-Y439 HydrophobicContact CD2-CG 4.31Å; Y393-Y439 HydrophobicContact CG-CD1 4.47Å
394D94.5Very high87.9Confident86 Ų8674 Ų7446%0.4641%0.413SS..  trans-65.8136.4166.9-83.730.6000109.4K406 A407D394-K406 WeakPolarHBondContact OD1-CA 3.41Å; D394-K406 IonicContact OD2-NZ 2.8Å; D394-K406 PolarHBondContact OD2-NZ 3.16Å; D394-A407 PolarHBondContact OD1-N 3.42Å
395Y95Very high90.4Very high22 Ų2271.1 Ų71.19%0.08639%0.387CS..BIsolated β-bridgetrans-133.1140.4176.6-167.8-106.2000110.9E402 L403 F405 W422 P436 Y439Y395-E402 PolarHBondContact OH-OE2 2.88Å; Y395-L403 VanDerWaalsContact CD1-O 3.26Å; Y395-L403 WeakPolarHBondContact CD1-O 3.49Å; Y395-F405 VanDerWaalsContact CB-CZ 3.42Å; Y395-F405 HydrophobicContact CD1-CD1 4.44Å; Y395-F405 AromaticContact CD1-CE1 3.73Å; Y395-F405 HydrophobicContact CD1-CE1 3.73Å; Y395-F405 AromaticContact CD1-CZ 4Å; Y395-F405 HydrophobicContact CD1-CZ 4Å; Y395-F405 HydrophobicContact CG-CE1 4.09Å; Y395-F405 HydrophobicContact CG-CE2 4.45Å; Y395-F405 AromaticContact CG-CZ 3.89Å; Y395-F405 HydrophobicContact CG-CZ 3.89Å; Y395-F405 PolarHBondContact N-O 3.47Å; Y395-F405 PolarHBondContact O-N 2.9Å; Y395-W422 WeakPolarHBondContact OH-CH2 3.24Å; Y395-W422 WeakPolarHBondContact OH-CZ3 3.27Å; Y395-P436 HydrophobicContact CD2-CG 4.11Å; Y395-P436 HydrophobicContact CE1-CG 4.27Å; Y395-P436 HydrophobicContact CE2-CG 3.52Å; Y395-Y439 AromaticContact CD2-CD1 3.75Å; Y395-Y439 HydrophobicContact CD2-CD1 3.75Å; Y395-Y439 AromaticContact CD2-CE1 3.69Å; Y395-Y439 HydrophobicContact CD2-CE1 3.69Å; Y395-Y439 HydrophobicContact CD2-CG 4.37Å; Y395-Y439 HydrophobicContact CG-CD1 4.25Å
396T95.5Very high92Very high108 Ų10867.7 Ų67.766%0.66337%0.369SS*.  trans-131.7118.1177.4-580000107.3
397G92.4Very high93.1Very high22 Ų2269.2 Ų69.223%0.22738%0.38CS..  trans-60.5137.5-179.900000111.4E402 L403 S404G397-E402 VanDerWaalsContact CA-OE2 3.24Å; G397-E402 WeakPolarHBondContact CA-OE2 3.15Å; G397-L403 PolarHBondContact N-O 3.49Å; G397-S404 PolarHBondContact N-OG 3.09Å
398Q89.5Confident93.2Very high161 Ų16168 Ų6875%0.75238%0.381SS*.SBendtrans-94.9-43.5178.2-71169.390.500111.1E402Q398-E402 PolarHBondContact N-OE2 2.89Å
399E89.3Confident93.3Very high136 Ų13668.8 Ų68.864%0.63638%0.378SS*.SBendtrans-97.9166.5173.3-61-6116100113D401 E402E399-D401 VanDerWaalsContact C-N 3.29Å; E399-D401 PolarHBondContact O-N 3.48Å; E399-E402 HydrophobicContact CB-CG 4.37Å; E399-E402 PolarHBondContact N-OE1 3.45Å; E399-E402 VanDerWaalsContact N-OE1 3.11Å; E399-E402 PolarHBondContact O-N 2.95Å
400A87.2Confident93.3Very high106 Ų10671.2 Ų71.288%0.87639%0.389SS*.THydrogen-bonded Turntrans-72.8-15.3-169.400000115.2
401D92.4Very high93.2Very high91 Ų9166 Ų6649%0.48737%0.37SS..THydrogen-bonded Turntrans-97.2-2.5175.960.3-36.4000113.4E399 G433 L434E399-D401 VanDerWaalsContact C-N 3.29Å; E399-D401 PolarHBondContact O-N 3.48Å; D401-G433 CarbonylContact O-C 3.47Å; D401-G433 WeakPolarHBondContact O-CA 3.29Å; D401-L434 PolarHBondContact O-N 3.3Å; D401-L434 WeakPolarHBondContact OD2-CD1 3.22Å
402E94.6Very high93.2Very high22 Ų2269.4 Ų69.410%0.10339%0.386CS..BIsolated β-bridgetrans-84.5143.9176.4-64.5177.4-143.300112.8Y395 G397 Q398 E399 W422 L434Y395-E402 PolarHBondContact OH-OE2 2.88Å; G397-E402 VanDerWaalsContact CA-OE2 3.24Å; G397-E402 WeakPolarHBondContact CA-OE2 3.15Å; Q398-E402 PolarHBondContact N-OE2 2.89Å; E399-E402 HydrophobicContact CB-CG 4.37Å; E399-E402 PolarHBondContact N-OE1 3.45Å; E399-E402 VanDerWaalsContact N-OE1 3.11Å; E399-E402 PolarHBondContact O-N 2.95Å; E402-W422 HydrophobicContact CG-CH2 4.02Å; E402-W422 HydrophobicContact CG-CZ3 3.86Å; E402-L434 WeakPolarHBondContact CA-O 3.36Å
403L93.9Very high93.2Very high0 Ų067.7 Ų67.70%038%0.376CS..  trans-80.3155.1172.7-64.4177.7000111.8Y395 G397 F405 L411 L427 Q431 L434 Y435Y395-L403 VanDerWaalsContact CD1-O 3.26Å; Y395-L403 WeakPolarHBondContact CD1-O 3.49Å; G397-L403 PolarHBondContact N-O 3.49Å; L403-F405 HydrophobicContact CB-CD1 4.09Å; L403-F405 HydrophobicContact CB-CE1 4.3Å; L403-L411 HydrophobicContact CD1-CD2 4.14Å; L403-L427 HydrophobicContact CD1-CG 4.24Å; L403-L427 HydrophobicContact CD2-CD1 3.96Å; L403-L427 HydrophobicContact CD2-CG 4.05Å; L403-Q431 HydrophobicContact CD2-CG 3.95Å; L403-L434 PolarHBondContact N-O 2.82Å; L403-Y435 HydrophobicContact CD1-CD1 4.25Å
404S95.2Very high93.1Very high63 Ų6364.2 Ų64.244%0.44137%0.366SS..  trans-124.1131.8168.9-63.60000110.2G397G397-S404 PolarHBondContact N-OG 3.09Å
405F94.8Very high92.7Very high9 Ų961.4 Ų61.44%0.03936%0.357CS..BIsolated β-bridgetrans-158.5166.8-172.653.6-94.6000111.8A391 Y395 L403 D409 L411 L427 Y435A391-F405 HydrophobicContact CB-CD2 3.44Å; A391-F405 VanDerWaalsContact CB-CD2 3.44Å; A391-F405 HydrophobicContact CB-CE2 3.66Å; Y395-F405 VanDerWaalsContact CB-CZ 3.42Å; Y395-F405 HydrophobicContact CD1-CD1 4.44Å; Y395-F405 AromaticContact CD1-CE1 3.73Å; Y395-F405 HydrophobicContact CD1-CE1 3.73Å; Y395-F405 AromaticContact CD1-CZ 4Å; Y395-F405 HydrophobicContact CD1-CZ 4Å; Y395-F405 HydrophobicContact CG-CE1 4.09Å; Y395-F405 HydrophobicContact CG-CE2 4.45Å; Y395-F405 AromaticContact CG-CZ 3.89Å; Y395-F405 HydrophobicContact CG-CZ 3.89Å; Y395-F405 PolarHBondContact N-O 3.47Å; Y395-F405 PolarHBondContact O-N 2.9Å; L403-F405 HydrophobicContact CB-CD1 4.09Å; L403-F405 HydrophobicContact CB-CE1 4.3Å; F405-D409 HydrophobicContact CB-CB 4.32Å; F405-L411 HydrophobicContact CD1-CD2 3.83Å; F405-L411 HydrophobicContact CE1-CD2 4.14Å; F405-L411 HydrophobicContact CG-CD2 4.17Å; F405-L427 HydrophobicContact CB-CD2 4.12Å; F405-Y435 HydrophobicContact CE1-CG 4.49Å
406K94.8Very high92.4Very high125 Ų12567.4 Ų67.454%0.54339%0.386SS..  trans-112.5157-179-68-170.5161-75.70112.8A391 D394 G408 D409A391-K406 VanDerWaalsContact CB-O 3.24Å; A391-K406 WeakPolarHBondContact CB-O 3.26Å; D394-K406 WeakPolarHBondContact OD1-CA 3.41Å; D394-K406 IonicContact OD2-NZ 2.8Å; D394-K406 PolarHBondContact OD2-NZ 3.16Å; K406-G408 PolarHBondContact O-N 2.85Å; K406-D409 PolarHBondContact N-OD2 2.82Å; K406-D409 VanDerWaalsContact O-CB 3.31Å; K406-D409 WeakPolarHBondContact O-CB 3.44Å; K406-D409 PolarHBondContact O-N 2.86Å
407A94.3Very high92.2Very high53 Ų5368 Ų6844%0.43838%0.382SS..THydrogen-bonded Turntrans-55.5123.8173.100000110.4D394D394-A407 PolarHBondContact OD1-N 3.42Å
408G91.6Very high92Very high42 Ų4270.1 Ų70.143%0.43339%0.388SS..THydrogen-bonded Turntrans96-11.6-174.300000115.6A391 K406A391-G408 PolarHBondContact O-N 2.83Å; K406-G408 PolarHBondContact O-N 2.85Å
409D94Very high91.8Very high65 Ų6572.3 Ų72.335%0.34840%0.398SS..  trans-64.6153.1170.8-77.2-30.3000111.4R390 A391 F405 K406R390-D409 CarbonylContact C-O 3.58Å; R390-D409 WeakPolarHBondContact CA-O 3.27Å; R390-D409 WeakPolarHBondContact CG-O 3.39Å; A391-D409 PolarHBondContact N-O 3.46Å; F405-D409 HydrophobicContact CB-CB 4.32Å; K406-D409 PolarHBondContact N-OD2 2.82Å; K406-D409 VanDerWaalsContact O-CB 3.31Å; K406-D409 WeakPolarHBondContact O-CB 3.44Å; K406-D409 PolarHBondContact O-N 2.86Å
410E94.3Very high91.7Very high52 Ų5273.3 Ų73.324%0.24340%0.402CS..EExtended strand (participates in β ladder)trans-116.7132.7-179.7-57.5176.8142.200109.8V389 R390 R428 I443V389-E410 CarbonylContact O-C 3.59Å; V389-E410 WeakPolarHBondContact O-CA 3.29Å; R390-E410 HydrophobicContact CB-CG 4.49Å; R390-E410 HydrophobicContact CG-CG 4.26Å; R390-E410 IonicContact CZ-OE1 3.27Å; R390-E410 IonicContact NE-OE1 2.81Å; R390-E410 PolarHBondContact NE-OE1 3.37Å; R390-E410 IonicContact NH2-OE1 3.18Å; R390-E410 PolarHBondContact NH2-OE1 3.19Å; E410-R428 IonicContact OE2-CZ 2.76Å; E410-R428 IonicContact OE2-NH1 3.54Å; E410-R428 PolarHBondContact OE2-NH1 2.88Å; E410-R428 IonicContact OE2-NH2 3.86Å; E410-R428 PolarHBondContact OE2-NH2 2.68Å; E410-I443 HydrophobicContact CB-CD1 4.44Å; E410-I443 HydrophobicContact CG-CD1 3.99Å; E410-I443 WeakPolarHBondContact OE1-CD1 3.45Å
411L94Very high91.8Very high9 Ų969.1 Ų69.15%0.04737%0.37CS..EExtended strand (participates in β ladder)trans-127.6163.3-176-43.586.5000109.1V389 A391 L403 F405 R426 L427 V440V389-L411 HydrophobicContact CG2-CB 3.83Å; V389-L411 HydrophobicContact CG2-CD1 4.24Å; V389-L411 PolarHBondContact N-O 3.15Å; V389-L411 PolarHBondContact O-N 3.46Å; A391-L411 HydrophobicContact CB-CD1 4.23Å; L403-L411 HydrophobicContact CD1-CD2 4.14Å; F405-L411 HydrophobicContact CD1-CD2 3.83Å; F405-L411 HydrophobicContact CE1-CD2 4.14Å; F405-L411 HydrophobicContact CG-CD2 4.17Å; L411-R426 WeakPolarHBondContact CA-O 3.42Å; L411-L427 HydrophobicContact CD2-CD2 3.56Å; L411-L427 HydrophobicContact CG-CD2 3.9Å; L411-V440 HydrophobicContact CD1-CG1 4.27Å
412M94.3Very high92Very high75 Ų7567.8 Ų67.837%0.36936%0.358SS..EExtended strand (participates in β ladder)trans-110.6115.5174.3-170.4171.2178.800108.9G386 L414 G425 R426G386-M412 VanDerWaalsContact N-CE 3.3Å; M412-L414 HydrophobicContact CG-CD2 4.14Å; M412-L414 PolarHBondContact O-N 3.17Å; M412-G425 CarbonylContact O-C 3Å; M412-G425 WeakPolarHBondContact O-CA 3.33Å; M412-R426 HydrophobicContact CB-CB 4.44Å; M412-R426 PolarHBondContact N-O 2.87Å; M412-R426 PolarHBondContact O-N 2.88Å
413K93.1Very high91.9Very high38 Ų3866.9 Ų66.917%0.16535%0.354CS..EExtended strand (participates in β ladder)trans-70122.7174.5-179.9-174.1177-167.10108.7G386 V387 V389 G415 E416G386-K413 CarbonylContact C-O 3.59Å; G386-K413 WeakPolarHBondContact CA-O 3.24Å; V387-K413 HydrophobicContact CB-CB 4.37Å; V387-K413 PolarHBondContact N-O 2.83Å; V387-K413 VanDerWaalsContact N-O 3.16Å; V387-K413 WeakPolarHBondContact O-CB 2.91Å; V387-K413 PolarHBondContact O-N 3.48Å; V389-K413 HydrophobicContact CG1-CB 4.09Å; K413-G415 WeakPolarHBondContact CE-O 3.44Å; K413-G415 VanDerWaalsContact CG-O 3.29Å; K413-G415 WeakPolarHBondContact CG-O 3.31Å; K413-E416 IonicContact NZ-OE1 2.68Å; K413-E416 PolarHBondContact NZ-OE1 3.39Å; K413-E416 IonicContact NZ-OE2 3.38Å; K413-E416 PolarHBondContact NZ-OE2 2.89Å
414L90.8Very high92Very high63 Ų6372.3 Ų72.333%0.3338%0.378SS..  trans-107.7-10.2-176.9-63.2-173.5000113.9M412 K424 R426 V432M412-L414 HydrophobicContact CG-CD2 4.14Å; M412-L414 PolarHBondContact O-N 3.17Å; L414-K424 PolarHBondContact N-O 3.33Å; L414-R426 HydrophobicContact CD1-CB 3.95Å; L414-R426 HydrophobicContact CG-CB 4.33Å; L414-V432 HydrophobicContact CD1-CG1 4.22Å; L414-V432 HydrophobicContact CD1-CG2 4.17Å
415G86.3Confident91.9Very high27 Ų2769.3 Ų69.328%0.27836%0.357SS..SBendtrans-156.6163.217800000111.3K413 K424K413-G415 WeakPolarHBondContact CE-O 3.44Å; K413-G415 VanDerWaalsContact CG-O 3.29Å; K413-G415 WeakPolarHBondContact CG-O 3.31Å; G415-K424 PolarHBondContact N-O 2.93Å
416E87.6Confident91.9Very high148 Ų14873.3 Ų73.369%0.69237%0.372SS*.  trans-70.4171.1177.9-76.6-56.3142.800113.6K413K413-E416 IonicContact NZ-OE1 2.68Å; K413-E416 PolarHBondContact NZ-OE1 3.39Å; K413-E416 IonicContact NZ-OE2 3.38Å; K413-E416 PolarHBondContact NZ-OE2 2.89Å
417E91.3Very high91.8Very high121 Ų12168.5 Ų68.557%0.56535%0.351SS*.  trans-70.2132176.1-170.1174.3151.600110.9W422 A437E417-W422 CarbonylContact C-O 3.58Å; E417-W422 WeakPolarHBondContact CA-O 3.31Å; E417-A437 HydrophobicContact CB-CB 4.37Å; E417-A437 VanDerWaalsContact CD-CB 3.48Å; E417-A437 HydrophobicContact CG-CB 3.75Å; E417-A437 VanDerWaalsContact OE2-CB 3.26Å; E417-A437 WeakPolarHBondContact OE2-CB 3.49Å
418D89.7Confident91.4Very high67 Ų6774.6 Ų74.636%0.35836%0.363SS..  trans-83.2176.7178.188.5-26.3000113Q420 G421 W422D418-Q420 PolarHBondContact O-N 3.27Å; D418-Q420 WeakPolarHBondContact OD1-CA 3.34Å; D418-Q420 WeakPolarHBondContact OD1-CB 3.27Å; D418-Q420 PolarHBondContact OD1-N 3.43Å; D418-Q420 PolarHBondContact OD2-NE2 2.92Å; D418-G421 PolarHBondContact O-N 3.49Å; D418-G421 PolarHBondContact OD1-N 3.05Å; D418-W422 PolarHBondContact N-O 2.96Å; D418-W422 PolarHBondContact OD1-N 2.81Å
419E84.9Confident91.1Very high207 Ų20777 Ų7797%0.96737%0.373SS*.THydrogen-bonded Turntrans-63.9-5.9178.9-61-170.7167.400114.1
420Q86.4Confident90.7Very high156 Ų15676 Ų7673%0.72938%0.379SS*.THydrogen-bonded Turntrans-113.7-2.1-178.5-60.3174.6107.400113.1D418D418-Q420 PolarHBondContact O-N 3.27Å; D418-Q420 WeakPolarHBondContact OD1-CA 3.34Å; D418-Q420 WeakPolarHBondContact OD1-CB 3.27Å; D418-Q420 PolarHBondContact OD1-N 3.43Å; D418-Q420 PolarHBondContact OD2-NE2 2.92Å
421G90.4Very high90.6Very high18 Ų1878.5 Ų78.519%0.18639%0.39CS..SBendtrans91.418.8177.900000115.4D418 A437D418-G421 PolarHBondContact O-N 3.49Å; D418-G421 PolarHBondContact OD1-N 3.05Å; G421-A437 WeakPolarHBondContact O-CB 3.33Å; G421-A437 PolarHBondContact O-N 3.29Å
422W94.9Very high90.6Very high63 Ų6380.9 Ų80.924%0.23941%0.405CS..EExtended strand (participates in β ladder)trans-104147.2-179.8-6382.2000112.3Y395 E402 E417 D418 L434 Y435 P436Y395-W422 WeakPolarHBondContact OH-CH2 3.24Å; Y395-W422 WeakPolarHBondContact OH-CZ3 3.27Å; E402-W422 HydrophobicContact CG-CH2 4.02Å; E402-W422 HydrophobicContact CG-CZ3 3.86Å; E417-W422 CarbonylContact C-O 3.58Å; E417-W422 WeakPolarHBondContact CA-O 3.31Å; D418-W422 PolarHBondContact N-O 2.96Å; D418-W422 PolarHBondContact OD1-N 2.81Å; W422-L434 HydrophobicContact CE3-CB 3.91Å; W422-L434 HydrophobicContact CZ3-CB 4.42Å; W422-Y435 WeakPolarHBondContact CA-O 3.37Å; W422-Y435 VanDerWaalsContact CE3-C 3.46Å; W422-P436 HydrophobicContact CE3-CG 4.34Å; W422-P436 HydrophobicContact CH2-CG 4.44Å; W422-P436 HydrophobicContact CZ3-CG 4.09Å
423C93.8Very high90.6Very high4 Ų477.8 Ų77.83%0.02739%0.392CS..EExtended strand (participates in β ladder)trans-119.7146.5172-78.80000110.1L434 Y435C423-L434 CarbonylContact O-C 3.55Å; C423-L434 WeakPolarHBondContact O-CA 3.46Å; C423-Y435 HydrophobicContact CB-CD1 4.29Å; C423-Y435 HydrophobicContact CB-CD2 4.43Å; C423-Y435 HydrophobicContact CB-CE1 3.64Å; C423-Y435 HydrophobicContact CB-CE2 3.77Å; C423-Y435 WeakPolarHBondContact CB-OH 3.49Å; C423-Y435 PolarHBondContact N-O 2.93Å; C423-Y435 VanDerWaalsContact O-CD1 3.27Å; C423-Y435 WeakPolarHBondContact O-CD1 3.14Å; C423-Y435 PolarHBondContact O-N 3.17Å
424K94.8Very high90.7Very high114 Ų11478.6 Ų78.650%0.49640%0.398SS..EExtended strand (participates in β ladder)trans-84.5134.1167.6-169.5174-178.1178.60109.7L414 G415 V432 G433 L434L414-K424 PolarHBondContact N-O 3.33Å; G415-K424 PolarHBondContact N-O 2.93Å; K424-V432 HydrophobicContact CD-CG1 4.42Å; K424-V432 VanDerWaalsContact CE-CG1 3.44Å; K424-V432 HydrophobicContact CG-CG1 4.16Å; K424-G433 WeakPolarHBondContact CA-O 3.36Å; K424-L434 HydrophobicContact CB-CD2 4.27Å
425G93.4Very high90.9Very high0 Ų075.7 Ų75.70%038%0.383CS..EExtended strand (participates in β ladder)trans-144.9171.7179.600000114.6M412 V432 G433M412-G425 CarbonylContact O-C 3Å; M412-G425 WeakPolarHBondContact O-CA 3.33Å; G425-V432 VanDerWaalsContact O-CA 3.27Å; G425-V432 WeakPolarHBondContact O-CA 3.45Å; G425-G433 PolarHBondContact N-O 3.25Å; G425-G433 PolarHBondContact O-N 3.36Å
426R95.6Very high91.3Very high93 Ų9375 Ų7535%0.35137%0.374SS..EExtended strand (participates in β ladder)trans-123.4129.4175.7-167.6-179.2-79.7-166.3-2.6110E381 L411 M412 L414 Q431 V432E381-R426 IonicContact OE1-CZ 2.64Å; E381-R426 IonicContact OE1-NH1 3.47Å; E381-R426 PolarHBondContact OE1-NH1 2.71Å; E381-R426 IonicContact OE1-NH2 3.54Å; E381-R426 PolarHBondContact OE1-NH2 2.88Å; L411-R426 WeakPolarHBondContact CA-O 3.42Å; M412-R426 HydrophobicContact CB-CB 4.44Å; M412-R426 PolarHBondContact N-O 2.87Å; M412-R426 PolarHBondContact O-N 2.88Å; L414-R426 HydrophobicContact CD1-CB 3.95Å; L414-R426 HydrophobicContact CG-CB 4.33Å; R426-Q431 CarbonylContact C-O 3.59Å; R426-Q431 WeakPolarHBondContact CA-O 3.08Å; R426-V432 HydrophobicContact CB-CG2 4Å; R426-V432 HydrophobicContact CG-CG2 3.77Å
427L92.3Very high91.5Very high23 Ų2368.7 Ų68.712%0.1235%0.347CS..EExtended strand (participates in β ladder)trans-79.1162.3171.8-70.4174.5000111.2L403 F405 L411 S429 G430 Q431L403-L427 HydrophobicContact CD1-CG 4.24Å; L403-L427 HydrophobicContact CD2-CD1 3.96Å; L403-L427 HydrophobicContact CD2-CG 4.05Å; F405-L427 HydrophobicContact CB-CD2 4.12Å; L411-L427 HydrophobicContact CD2-CD2 3.56Å; L411-L427 HydrophobicContact CG-CD2 3.9Å; L427-S429 WeakPolarHBondContact CB-OG 3.43Å; L427-S429 PolarHBondContact O-N 2.81Å; L427-G430 PolarHBondContact O-N 3.27Å; L427-Q431 HydrophobicContact CD1-CB 4.41Å; L427-Q431 PolarHBondContact N-O 2.81Å
428R86.1Confident91.7Very high182 Ų18268.6 Ų68.669%0.68735%0.35SS*.THydrogen-bonded Turntrans-58.2-18.7171.4-56.1-164.2-145.4-108.16.4113.9E410 G430E410-R428 IonicContact OE2-CZ 2.76Å; E410-R428 IonicContact OE2-NH1 3.54Å; E410-R428 PolarHBondContact OE2-NH1 2.88Å; E410-R428 IonicContact OE2-NH2 3.86Å; E410-R428 PolarHBondContact OE2-NH2 2.68Å; R428-G430 PolarHBondContact O-N 3.4Å
429S85.1Confident91.9Very high92 Ų9269.2 Ų69.264%0.64335%0.348SS*.THydrogen-bonded Turntrans-76.4-5.8173.854.50000114L427 Q431L427-S429 WeakPolarHBondContact CB-OG 3.43Å; L427-S429 PolarHBondContact O-N 2.81Å; S429-Q431 VanDerWaalsContact C-N 3.28Å; S429-Q431 PolarHBondContact O-N 3.34Å
430G86.6Confident92.3Very high45 Ų4560.3 Ų60.346%0.46431%0.308SS..SBendtrans87.1-16.2-172.700000114.2L427 R428 V432L427-G430 PolarHBondContact O-N 3.27Å; R428-G430 PolarHBondContact O-N 3.4Å; G430-V432 PolarHBondContact O-N 3.05Å
431Q90.4Very high92.6Very high103 Ų10358.9 Ų58.948%0.48130%0.301SS..  trans-60.7130178.5-174.6-179.4-1.900111.1L403 R426 L427 S429L403-Q431 HydrophobicContact CD2-CG 3.95Å; R426-Q431 CarbonylContact C-O 3.59Å; R426-Q431 WeakPolarHBondContact CA-O 3.08Å; L427-Q431 HydrophobicContact CD1-CB 4.41Å; L427-Q431 PolarHBondContact N-O 2.81Å; S429-Q431 VanDerWaalsContact C-N 3.28Å; S429-Q431 PolarHBondContact O-N 3.34Å
432V94Very high92.6Very high60 Ų6062 Ų6236%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-107.4142.5175.9174.80000109.4L414 K424 G425 R426 G430L414-V432 HydrophobicContact CD1-CG1 4.22Å; L414-V432 HydrophobicContact CD1-CG2 4.17Å; K424-V432 HydrophobicContact CD-CG1 4.42Å; K424-V432 VanDerWaalsContact CE-CG1 3.44Å; K424-V432 HydrophobicContact CG-CG1 4.16Å; G425-V432 VanDerWaalsContact O-CA 3.27Å; G425-V432 WeakPolarHBondContact O-CA 3.45Å; R426-V432 HydrophobicContact CB-CG2 4Å; R426-V432 HydrophobicContact CG-CG2 3.77Å; G430-V432 PolarHBondContact O-N 3.05Å
433G94.3Very high92.3Very high9 Ų962 Ų629%0.09332%0.32CS..EExtended strand (participates in β ladder)trans-178.8-174.5179.500000112.8D401 K424 G425D401-G433 CarbonylContact O-C 3.47Å; D401-G433 WeakPolarHBondContact O-CA 3.29Å; K424-G433 WeakPolarHBondContact CA-O 3.36Å; G425-G433 PolarHBondContact N-O 3.25Å; G425-G433 PolarHBondContact O-N 3.36Å
434L95.6Very high91.1Very high56 Ų5666 Ų6629%0.29335%0.354SS..EExtended strand (participates in β ladder)trans-88.6150.2177.6-61.1-179.2000112.1D401 E402 L403 W422 C423 K424D401-L434 PolarHBondContact O-N 3.3Å; D401-L434 WeakPolarHBondContact OD2-CD1 3.22Å; E402-L434 WeakPolarHBondContact CA-O 3.36Å; L403-L434 PolarHBondContact N-O 2.82Å; W422-L434 HydrophobicContact CE3-CB 3.91Å; W422-L434 HydrophobicContact CZ3-CB 4.42Å; C423-L434 CarbonylContact O-C 3.55Å; C423-L434 WeakPolarHBondContact O-CA 3.46Å; K424-L434 HydrophobicContact CB-CD2 4.27Å
435Y94.8Very high89Confident1 Ų169.6 Ų69.60%0.00439%0.394CS..EExtended strand (participates in β ladder)trans-148.9154.6169.968.9-88.5000111.2L403 F405 W422 C423 A437 V440L403-Y435 HydrophobicContact CD1-CD1 4.25Å; F405-Y435 HydrophobicContact CE1-CG 4.49Å; W422-Y435 WeakPolarHBondContact CA-O 3.37Å; W422-Y435 VanDerWaalsContact CE3-C 3.46Å; C423-Y435 HydrophobicContact CB-CD1 4.29Å; C423-Y435 HydrophobicContact CB-CD2 4.43Å; C423-Y435 HydrophobicContact CB-CE1 3.64Å; C423-Y435 HydrophobicContact CB-CE2 3.77Å; C423-Y435 WeakPolarHBondContact CB-OH 3.49Å; C423-Y435 PolarHBondContact N-O 2.93Å; C423-Y435 VanDerWaalsContact O-CD1 3.27Å; C423-Y435 WeakPolarHBondContact O-CD1 3.14Å; C423-Y435 PolarHBondContact O-N 3.17Å; Y435-A437 PolarHBondContact O-N 3Å; Y435-V440 HydrophobicContact CD2-CG1 3.79Å; Y435-V440 HydrophobicContact CD2-CG2 4.42Å; Y435-V440 HydrophobicContact CE2-CB 4.27Å; Y435-V440 HydrophobicContact CE2-CG1 3.66Å; Y435-V440 HydrophobicContact CE2-CG2 3.55Å
436P95.3Very high88.8Confident14 Ų1473.1 Ų73.19%0.09141%0.413CS..EExtended strand (participates in β ladder)trans-69.8126.9177.9-16.830.6000111.3Y395 W422 N438 Y439Y395-P436 HydrophobicContact CD2-CG 4.11Å; Y395-P436 HydrophobicContact CE1-CG 4.27Å; Y395-P436 HydrophobicContact CE2-CG 3.52Å; W422-P436 HydrophobicContact CE3-CG 4.34Å; W422-P436 HydrophobicContact CH2-CG 4.44Å; W422-P436 HydrophobicContact CZ3-CG 4.09Å; P436-N438 WeakPolarHBondContact CB-OD1 3.34Å; P436-N438 PolarHBondContact O-N 3.1Å; P436-N438 VanDerWaalsContact O-N 3.16Å; P436-Y439 HydrophobicContact CB-CD2 3.76Å; P436-Y439 HydrophobicContact CB-CE2 4.41Å; P436-Y439 HydrophobicContact CB-CG 4.3Å; P436-Y439 HydrophobicContact CG-CD2 4.09Å; P436-Y439 HydrophobicContact CG-CG 4.39Å; P436-Y439 PolarHBondContact O-N 3.08Å
437A92.9Very high88.4Confident15 Ų1572.1 Ų72.112%0.12442%0.417CS..G310 helixtrans-58.8-33.5-17500000112.9E417 G421 Y435 Y439E417-A437 HydrophobicContact CB-CB 4.37Å; E417-A437 VanDerWaalsContact CD-CB 3.48Å; E417-A437 HydrophobicContact CG-CB 3.75Å; E417-A437 VanDerWaalsContact OE2-CB 3.26Å; E417-A437 WeakPolarHBondContact OE2-CB 3.49Å; G421-A437 WeakPolarHBondContact O-CB 3.33Å; G421-A437 PolarHBondContact O-N 3.29Å; Y435-A437 PolarHBondContact O-N 3Å; A437-Y439 VanDerWaalsContact C-N 3.29Å; A437-Y439 PolarHBondContact O-N 3.33Å
438N94.1Very high88.2Confident119 Ų11974.8 Ų74.864%0.63643%0.433SS*.G310 helixtrans-77.2-2.7177.966.2-22.3000115.2P436P436-N438 WeakPolarHBondContact CB-OD1 3.34Å; P436-N438 PolarHBondContact O-N 3.1Å; P436-N438 VanDerWaalsContact O-N 3.16Å
439Y93.4Very high88.3Confident79 Ų7968.5 Ų68.531%0.3142%0.418SS..G310 helixtrans-90.4-3.6175.5-88.4-118.7000113.5L392 Y393 Y395 P436 A437L392-Y439 PolarHBondContact N-O 3.34Å; Y393-Y439 HydrophobicContact CD2-CD1 4.18Å; Y393-Y439 HydrophobicContact CD2-CE1 4.44Å; Y393-Y439 HydrophobicContact CD2-CG 4.31Å; Y393-Y439 HydrophobicContact CG-CD1 4.47Å; Y395-Y439 AromaticContact CD2-CD1 3.75Å; Y395-Y439 HydrophobicContact CD2-CD1 3.75Å; Y395-Y439 AromaticContact CD2-CE1 3.69Å; Y395-Y439 HydrophobicContact CD2-CE1 3.69Å; Y395-Y439 HydrophobicContact CD2-CG 4.37Å; Y395-Y439 HydrophobicContact CG-CD1 4.25Å; P436-Y439 HydrophobicContact CB-CD2 3.76Å; P436-Y439 HydrophobicContact CB-CE2 4.41Å; P436-Y439 HydrophobicContact CB-CG 4.3Å; P436-Y439 HydrophobicContact CG-CD2 4.09Å; P436-Y439 HydrophobicContact CG-CG 4.39Å; P436-Y439 PolarHBondContact O-N 3.08Å; A437-Y439 VanDerWaalsContact C-N 3.29Å; A437-Y439 PolarHBondContact O-N 3.33Å
440V93.5Very high88.5Confident20 Ų2067 Ų6712%0.12140%0.404CS..EExtended strand (participates in β ladder)trans-128.7164.3-179.2-49.40000112.4V389 R390 L411 Y435V389-V440 HydrophobicContact CB-CB 4.02Å; V389-V440 HydrophobicContact CB-CG2 3.8Å; V389-V440 HydrophobicContact CG1-CG2 4.12Å; V389-V440 HydrophobicContact CG2-CB 4.09Å; V389-V440 HydrophobicContact CG2-CG1 4.25Å; V389-V440 HydrophobicContact CG2-CG2 3.95Å; R390-V440 CarbonylContact O-C 3.52Å; R390-V440 VanDerWaalsContact O-CA 3.24Å; R390-V440 WeakPolarHBondContact O-CA 3.48Å; L411-V440 HydrophobicContact CD1-CG1 4.27Å; Y435-V440 HydrophobicContact CD2-CG1 3.79Å; Y435-V440 HydrophobicContact CD2-CG2 4.42Å; Y435-V440 HydrophobicContact CE2-CB 4.27Å; Y435-V440 HydrophobicContact CE2-CG1 3.66Å; Y435-V440 HydrophobicContact CE2-CG2 3.55Å
441Q93.4Very high88.6Confident126 Ų12668.5 Ų68.559%0.58940%0.4SS*.EExtended strand (participates in β ladder)trans-126.1137.9169.1-17517612.500110V389 R390 L392 I443V389-Q441 CarbonylContact C-O 3.58Å; V389-Q441 VanDerWaalsContact CA-O 3.29Å; V389-Q441 WeakPolarHBondContact CA-O 3.25Å; R390-Q441 PolarHBondContact N-O 2.75Å; R390-Q441 PolarHBondContact O-N 3.45Å; L392-Q441 HydrophobicContact CD1-CB 4.25Å; L392-Q441 HydrophobicContact CD2-CB 3.95Å; L392-Q441 HydrophobicContact CG-CB 4.19Å; Q441-I443 PolarHBondContact O-N 3.3Å
442V91.1Very high88.5Confident85 Ų8566 Ų6652%0.51539%0.394SS..EExtended strand (participates in β ladder)trans-60.8127.7172173.10000110.2V387 V389 A444V387-V442 HydrophobicContact CG1-CG1 3.68Å; V387-V442 HydrophobicContact CG1-CG2 4.2Å; V389-V442 HydrophobicContact CG1-CG2 4.2Å; V442-A444 PolarHBondContact O-N 2.69Å
443I88.2Confident88.1Confident61 Ų6166.5 Ų66.531%0.31340%0.396SS..  trans-80.396.2170.9-52.5177000106.8A388 R390 E410 Q441 S445A388-I443 HydrophobicContact CB-CB 4.28Å; A388-I443 HydrophobicContact CB-CD1 4.27Å; A388-I443 PolarHBondContact O-N 2.95Å; R390-I443 HydrophobicContact CB-CD1 4Å; R390-I443 HydrophobicContact CB-CG1 3.95Å; E410-I443 HydrophobicContact CB-CD1 4.44Å; E410-I443 HydrophobicContact CG-CD1 3.99Å; E410-I443 WeakPolarHBondContact OE1-CD1 3.45Å; Q441-I443 PolarHBondContact O-N 3.3Å; I443-S445 PolarHBondContact O-N 3.42Å
444A68.4Low87.6Confident90 Ų9071.3 Ų71.374%0.74442%0.422SS*.  trans-64.7127.917100000109.9V442V442-A444 PolarHBondContact O-N 2.69Å
445S50.3Low86.8Confident189 Ų18972.6 Ų72.6100%1.32243%0.433SS*.  trans-80.70175.3600000112.4I443I443-S445 PolarHBondContact O-N 3.42Å

Retrieved 445 of 445 residues in 1515.9 ms (Link to these results)

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