A0A096M4S0_POEFO Loading...

acyl-CoA (8-3)-desaturase

AlphaFold DB , UniProt , Accession A0A096M4S0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 437 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
1M40.2Very low43Very low254 Ų254132.5 Ų132.5100%1.25182%0.82SS**  0110.20-63.5-176.3-151.200106.9
2G33.7Very low47.1Very low72 Ų72130.4 Ų130.474%0.74280%0.8SS**  trans-146.8101.9-17500000109.7
3V39.3Very low50.9Low148 Ų148127.2 Ų127.290%0.89778%0.779SS**  trans28.4110.9145.4-164.60000117.4
4G30.9Very low54.2Low82 Ų82120.3 Ų120.385%0.84573%0.733SS**  trans-129.370.4159.500000109Q6G4-Q6 PolarHBondContact O-N 2.91Å
5G34.1Very low57.1Low62 Ų62114.9 Ų114.964%0.63970%0.702SS**  trans-64.6127170.500000109.2Q7G5-Q7 PolarHBondContact O-N 3.37Å
6Q38.3Very low59.6Low193 Ų193108.5 Ų108.590%0.90266%0.662SS**  trans-59.4103.6166.6-80.4172.9-33.100108G4 T8G4-Q6 PolarHBondContact O-N 2.91Å; Q6-T8 PolarHBondContact O-N 2.91Å; Q6-T8 VanDerWaalsContact O-N 3.1Å
7Q36.3Very low61.8Low184 Ų184110.3 Ų110.386%0.8666%0.661SS**  trans-63.2106.1160.3-88.5174.9-27.900107G5 E9G5-Q7 PolarHBondContact O-N 3.37Å; Q7-E9 VanDerWaalsContact C-N 3.3Å; Q7-E9 PolarHBondContact O-N 2.69Å
8T40.5Very low63.8Low135 Ų135107.5 Ų107.583%0.82864%0.64SS**  trans-62.198.8153.242.60000106.5Q6 A10Q6-T8 PolarHBondContact O-N 2.91Å; Q6-T8 VanDerWaalsContact O-N 3.1Å; T8-A10 PolarHBondContact O-N 3.29Å
9E51.3Low65.6Low181 Ų181101.8 Ų101.885%0.84661%0.606SS**PPolyproline II helixtrans-51.2125.8166.8-76.9177.2158.500107.7Q7 A11Q7-E9 VanDerWaalsContact C-N 3.3Å; Q7-E9 PolarHBondContact O-N 2.69Å; E9-A11 PolarHBondContact O-N 3.28Å
10A57.4Low67.2Low92 Ų9299.9 Ų99.976%0.7659%0.591SS**PPolyproline II helixtrans-59126.1172.800000107.3T8 D12T8-A10 PolarHBondContact O-N 3.29Å; A10-D12 PolarHBondContact O-N 3.24Å
11A71.7Confident68.6Low54 Ų54100.9 Ų100.945%0.44659%0.587SS.*PPolyproline II helixtrans-58.4132.3175.900000108.7E9E9-A11 PolarHBondContact O-N 3.28Å
12D91.9Very high71.3Confident108 Ų10889.9 Ų89.958%0.57853%0.533SS*.EExtended strand (participates in β ladder)trans-57.6143.1175.9-69.8-37.6000109.9A10 F14 G85 E86A10-D12 PolarHBondContact O-N 3.24Å; D12-F14 HydrophobicContact CB-CE2 3.65Å; D12-F14 HydrophobicContact CB-CZ 3.71Å; D12-G85 CarbonylContact O-C 3.43Å; D12-G85 WeakPolarHBondContact O-CA 3.33Å; D12-E86 PolarHBondContact O-N 3.39Å
13V96.3Very high74.2Confident88 Ų8891.7 Ų91.753%0.53352%0.517SS..EExtended strand (participates in β ladder)trans-114.1129.2-175.1-1790000109.5E86 A88V13-E86 CarbonylContact C-O 3.49Å; V13-E86 WeakPolarHBondContact CA-O 3.44Å; V13-A88 HydrophobicContact CG1-CB 3.4Å
14F97.7Very high76.8Confident31 Ų3187.8 Ų87.814%0.13650%0.496CS..EExtended strand (participates in β ladder)trans-121.7146.8-173.5-60.6-81.5000112.5D12 E18 V19 W29 V36 I84 E86 L87 A88D12-F14 HydrophobicContact CB-CE2 3.65Å; D12-F14 HydrophobicContact CB-CZ 3.71Å; F14-E18 HydrophobicContact CD1-CG 4.08Å; F14-V19 HydrophobicContact CB-CG2 4.18Å; F14-W29 HydrophobicContact CD1-CH2 4.16Å; F14-W29 AromaticContact CD1-CZ3 3.65Å; F14-W29 HydrophobicContact CD1-CZ3 3.65Å; F14-W29 AromaticContact CE1-CH2 3.69Å; F14-W29 HydrophobicContact CE1-CH2 3.69Å; F14-W29 AromaticContact CE1-CZ3 3.64Å; F14-W29 HydrophobicContact CE1-CZ3 3.64Å; F14-W29 HydrophobicContact CG-CZ3 4.33Å; F14-W29 HydrophobicContact CZ-CH2 4.29Å; F14-W29 HydrophobicContact CZ-CZ3 4.3Å; F14-V36 HydrophobicContact CB-CG2 4.17Å; F14-V36 HydrophobicContact CD2-CB 4.09Å; F14-V36 HydrophobicContact CD2-CG1 4.39Å; F14-V36 HydrophobicContact CD2-CG2 3.95Å; F14-V36 HydrophobicContact CG-CG2 4.39Å; F14-I84 HydrophobicContact CE2-CD1 4.2Å; F14-I84 HydrophobicContact CE2-CG1 4.06Å; F14-I84 HydrophobicContact CZ-CD1 4.06Å; F14-I84 HydrophobicContact CZ-CG1 4.31Å; F14-E86 PolarHBondContact N-O 3.2Å; F14-L87 CarbonylContact O-C 3.54Å; F14-L87 WeakPolarHBondContact O-CA 3.37Å; F14-A88 PolarHBondContact O-N 3.39Å
15S97.5Very high79.6Confident39 Ų3993.1 Ų93.127%0.27349%0.491SS..  trans-86.9161.716766.20000111.2E17 E18 V19 E91S15-E17 VanDerWaalsContact C-N 3.26Å; S15-E17 PolarHBondContact O-N 3.01Å; S15-E18 PolarHBondContact O-N 3.31Å; S15-E18 PolarHBondContact OG-N 2.72Å; S15-V19 WeakPolarHBondContact O-CG2 3.38Å; S15-V19 PolarHBondContact O-N 3.44Å; S15-E91 WeakPolarHBondContact CB-OE1 3.44Å
16W97.3Very high82.3Confident13 Ų1395.9 Ų95.95%0.04949%0.491CS..Hα-helixtrans-60.4-38.4170.1-86115.5000112E18 V19 Q20 V31 D60 L87 E91 P92 Q94 D95W16-E18 PolarHBondContact O-N 3.21Å; W16-V19 HydrophobicContact CE3-CB 4.26Å; W16-V19 HydrophobicContact CE3-CG1 4.21Å; W16-V19 HydrophobicContact CZ3-CG1 4.09Å; W16-V19 PolarHBondContact O-N 2.86Å; W16-Q20 WeakPolarHBondContact O-CB 3.37Å; W16-Q20 WeakPolarHBondContact O-CG 3.17Å; W16-Q20 PolarHBondContact O-N 2.88Å; W16-V31 HydrophobicContact CE3-CG2 4.47Å; W16-V31 HydrophobicContact CH2-CB 3.67Å; W16-V31 HydrophobicContact CH2-CG1 4.18Å; W16-V31 HydrophobicContact CH2-CG2 3.46Å; W16-V31 VanDerWaalsContact CH2-CG2 3.46Å; W16-V31 HydrophobicContact CZ2-CB 4.44Å; W16-V31 HydrophobicContact CZ2-CG1 4.5Å; W16-V31 HydrophobicContact CZ2-CG2 4.27Å; W16-V31 HydrophobicContact CZ3-CB 4.22Å; W16-V31 HydrophobicContact CZ3-CG2 3.57Å; W16-D60 HydrophobicContact CH2-CB 3.79Å; W16-D60 HydrophobicContact CZ2-CB 4.24Å; W16-L87 HydrophobicContact CD2-CD1 4.39Å; W16-L87 HydrophobicContact CD2-CD2 4.31Å; W16-L87 HydrophobicContact CH2-CD1 4.23Å; W16-L87 HydrophobicContact CZ2-CD1 3.49Å; W16-L87 VanDerWaalsContact CZ2-CD1 3.49Å; W16-E91 PolarHBondContact N-OE2 3.44Å; W16-P92 PolarHBondContact NE1-O 2.89Å; W16-Q94 VanDerWaalsContact CZ2-C 3.45Å; W16-Q94 PolarHBondContact NE1-O 3.44Å; W16-D95 HydrophobicContact CD2-CB 3.94Å; W16-D95 HydrophobicContact CE3-CB 3.76Å; W16-D95 HydrophobicContact CH2-CB 3.73Å; W16-D95 HydrophobicContact CZ2-CB 3.91Å; W16-D95 HydrophobicContact CZ3-CB 3.66Å
17E96.8Very high85.1Confident139 Ų13989.3 Ų89.365%0.6546%0.462SS*.Hα-helixtrans-55.6-42.3177.4-172.8-176172.700111.7S15S15-E17 VanDerWaalsContact C-N 3.26Å; S15-E17 PolarHBondContact O-N 3.01Å
18E97.5Very high88Confident60 Ų6081.8 Ų81.828%0.2843%0.426SS..Hα-helixtrans-66.7-51.6177-174.159.8-166.200111.4F14 S15 W16 Q20 K21 H22 W29F14-E18 HydrophobicContact CD1-CG 4.08Å; S15-E18 PolarHBondContact O-N 3.31Å; S15-E18 PolarHBondContact OG-N 2.72Å; W16-E18 PolarHBondContact O-N 3.21Å; E18-Q20 PolarHBondContact O-N 3.01Å; E18-Q20 VanDerWaalsContact O-N 3.13Å; E18-K21 WeakPolarHBondContact O-CB 3.43Å; E18-K21 PolarHBondContact O-N 3.36Å; E18-K21 WeakPolarHBondContact OE2-CD 3.45Å; E18-K21 WeakPolarHBondContact OE2-CE 3.4Å; E18-K21 IonicContact OE2-NZ 3.77Å; E18-K21 PolarHBondContact OE2-NZ 3.24Å; E18-H22 PolarHBondContact O-CD2 3.37Å; E18-H22 VanDerWaalsContact O-CD2 3.24Å; E18-H22 IonicContact OE1-NE2 3.89Å; E18-W29 HydrophobicContact CG-CZ3 4.12Å
19V97.6Very high90.7Very high0 Ų076.6 Ų76.60%039%0.391CS..Hα-helixtrans-54.6-37.7179.1174.10000111.8F14 S15 W16 K21 H22 W29 V31 V36 L87F14-V19 HydrophobicContact CB-CG2 4.18Å; S15-V19 WeakPolarHBondContact O-CG2 3.38Å; S15-V19 PolarHBondContact O-N 3.44Å; W16-V19 HydrophobicContact CE3-CB 4.26Å; W16-V19 HydrophobicContact CE3-CG1 4.21Å; W16-V19 HydrophobicContact CZ3-CG1 4.09Å; W16-V19 PolarHBondContact O-N 2.86Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 3.24Å; V19-H22 PolarHBondContact O-N 3.3Å; V19-H22 VanDerWaalsContact O-N 3.17Å; V19-W29 HydrophobicContact CG1-CB 4.4Å; V19-W29 HydrophobicContact CG2-CE3 4.35Å; V19-V31 HydrophobicContact CG1-CG2 4.05Å; V19-V31 HydrophobicContact CG2-CG2 4.49Å; V19-V36 HydrophobicContact CG2-CG1 3.87Å; V19-V36 HydrophobicContact CG2-CG2 4.05Å; V19-L87 HydrophobicContact CG2-CD2 4.11Å
20Q96.8Very high92.9Very high63 Ų6368.3 Ų68.329%0.29435%0.353SS..THydrogen-bonded Turntrans-73.9-11.5-178-69.1-172.5-15.200114.5W16 E18 H22 R23W16-Q20 WeakPolarHBondContact O-CB 3.37Å; W16-Q20 WeakPolarHBondContact O-CG 3.17Å; W16-Q20 PolarHBondContact O-N 2.88Å; E18-Q20 PolarHBondContact O-N 3.01Å; E18-Q20 VanDerWaalsContact O-N 3.13Å; Q20-H22 VanDerWaalsContact C-N 3.28Å; Q20-R23 WeakPolarHBondContact O-CD 3.41Å; Q20-R23 VanDerWaalsContact O-CG 3.24Å; Q20-R23 WeakPolarHBondContact O-CG 3.38Å; Q20-R23 PolarHBondContact O-NE 3.03Å
21K97.4Very high94.9Very high121 Ų12163.9 Ų63.953%0.52632%0.317SS..THydrogen-bonded Turntrans-70.7-28.7168.8-65.2170.7-168.3165.20111.4E18 V19 R23E18-K21 WeakPolarHBondContact O-CB 3.43Å; E18-K21 PolarHBondContact O-N 3.36Å; E18-K21 WeakPolarHBondContact OE2-CD 3.45Å; E18-K21 WeakPolarHBondContact OE2-CE 3.4Å; E18-K21 IonicContact OE2-NZ 3.77Å; E18-K21 PolarHBondContact OE2-NZ 3.24Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 3.24Å; K21-R23 PolarHBondContact O-N 3.3Å; K21-R23 VanDerWaalsContact O-N 3.14Å
22H97.3Very high96.1Very high23 Ų2361.8 Ų61.811%0.10630%0.298CS..  trans-91.765.4-175.4-57.8-82.3000112E18 V19 Q20 D27 R28 W29E18-H22 PolarHBondContact O-CD2 3.37Å; E18-H22 VanDerWaalsContact O-CD2 3.24Å; E18-H22 IonicContact OE1-NE2 3.89Å; V19-H22 PolarHBondContact O-N 3.3Å; V19-H22 VanDerWaalsContact O-N 3.17Å; Q20-H22 VanDerWaalsContact C-N 3.28Å; H22-D27 CarbonylContact C-O 3.54Å; H22-D27 IonicContact CE1-OD1 2.89Å; H22-D27 IonicContact CE1-OD2 3.12Å; H22-D27 IonicContact CG-OD1 3.6Å; H22-D27 IonicContact CG-OD2 3.81Å; H22-D27 IonicContact ND1-OD1 3.78Å; H22-D27 PolarHBondContact ND1-OD1 3.35Å; H22-D27 IonicContact ND1-OD2 3.54Å; H22-D27 PolarHBondContact ND1-OD2 2.95Å; H22-R28 VanDerWaalsContact O-CA 3.27Å; H22-R28 WeakPolarHBondContact O-CA 3.17Å; H22-W29 HydrophobicContact CB-CB 3.79Å; H22-W29 HydrophobicContact CB-CD2 3.85Å; H22-W29 HydrophobicContact CB-CE3 4.49Å; H22-W29 HydrophobicContact CB-CG 3.5Å; H22-W29 VanDerWaalsContact CB-CG 3.5Å; H22-W29 AromaticContact CD2-CD2 3.38Å; H22-W29 AromaticContact CD2-CE2 3.55Å; H22-W29 AromaticContact CD2-CE3 3.38Å; H22-W29 AromaticContact CD2-CH2 3.77Å; H22-W29 AromaticContact CD2-CZ2 3.77Å; H22-W29 AromaticContact CD2-CZ3 3.58Å; H22-W29 AromaticContact CE1-CE2 3.68Å; H22-W29 AromaticContact CE1-CH2 3.95Å; H22-W29 AromaticContact CE1-CZ2 3.5Å; H22-W29 VanDerWaalsContact CE1-CZ2 3.5Å; H22-W29 WeakPolarHBondContact CE1-CZ2 3.45Å; H22-W29 AromaticContact CG-CD1 3.81Å; H22-W29 AromaticContact CG-CD2 3.47Å; H22-W29 VanDerWaalsContact CG-CD2 3.47Å; H22-W29 AromaticContact CG-CE2 3.52Å; H22-W29 AromaticContact CG-CE3 3.98Å; H22-W29 AromaticContact CG-CG 3.68Å; H22-W29 AromaticContact CG-NE1 3.67Å; H22-W29 AromaticContact ND1-CE2 3.59Å; H22-W29 AromaticContact ND1-CZ2 3.9Å; H22-W29 AromaticContact ND1-NE1 3.57Å; H22-W29 AromaticContact NE2-CD2 3.96Å; H22-W29 AromaticContact NE2-CE2 3.67Å; H22-W29 AromaticContact NE2-CE3 3.93Å; H22-W29 AromaticContact NE2-CH2 3.38Å; H22-W29 WeakPolarHBondContact NE2-CH2 3.39Å; H22-W29 AromaticContact NE2-CZ2 3.4Å; H22-W29 WeakPolarHBondContact NE2-CZ2 3.41Å; H22-W29 AromaticContact NE2-CZ3 3.65Å; H22-W29 PolarHBondContact O-N 2.9Å
23R95.2Very high96.2Very high109 Ų10960.5 Ų60.541%0.41130%0.297SS..EExtended strand (participates in β ladder)trans-114.8-4.4-178.1-68.5-179.1166.4167.1-7.2114.8Q20 K21 D27 A57 G58Q20-R23 WeakPolarHBondContact O-CD 3.41Å; Q20-R23 VanDerWaalsContact O-CG 3.24Å; Q20-R23 WeakPolarHBondContact O-CG 3.38Å; Q20-R23 PolarHBondContact O-NE 3.03Å; K21-R23 PolarHBondContact O-N 3.3Å; K21-R23 VanDerWaalsContact O-N 3.14Å; R23-D27 PolarHBondContact N-O 3.01Å; R23-A57 WeakPolarHBondContact CG-O 3.45Å; R23-G58 PolarHBondContact NE-O 2.81Å; R23-G58 PolarHBondContact NH2-O 3.25Å
24S93.1Very high96.3Very high66 Ų6659.3 Ų59.346%0.46228%0.283SS..EExtended strand (participates in β ladder)trans-82.3163.7-170.684.60000112.4N26 D27 R28S24-N26 PolarHBondContact O-N 3.49Å; S24-D27 PolarHBondContact N-O 3.44Å; S24-D27 CarbonylContact O-C 3.51Å; S24-D27 PolarHBondContact O-N 3.5Å; S24-D27 WeakPolarHBondContact OG-CB 3.44Å; S24-D27 PolarHBondContact OG-N 2.99Å; S24-R28 WeakPolarHBondContact O-CG 3.41Å; S24-R28 PolarHBondContact O-NE 2.81Å
25R88.8Confident96.3Very high194 Ų19462 Ų6273%0.73230%0.295SS*.THydrogen-bonded Turntrans-55-32-179.1-176.1174.5178.8173.5-0113.9R28R25-R28 VanDerWaalsContact CG-NH2 3.3Å; R25-R28 VanDerWaalsContact O-CZ 3.27Å; R25-R28 PolarHBondContact O-NE 3.17Å; R25-R28 PolarHBondContact O-NH2 3.29Å
26N92Very high96.3Very high120 Ų12060.2 Ų60.264%0.64228%0.282SS*.THydrogen-bonded Turntrans-106.7-5.2-175.3-64.9-31.6000113.7S24S24-N26 PolarHBondContact O-N 3.49Å
27D96.3Very high96.4Very high56 Ų5659.9 Ų59.930%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-142.299.5-178.9-17924.4000109.2H22 R23 S24 S40H22-D27 CarbonylContact C-O 3.54Å; H22-D27 IonicContact CE1-OD1 2.89Å; H22-D27 IonicContact CE1-OD2 3.12Å; H22-D27 IonicContact CG-OD1 3.6Å; H22-D27 IonicContact CG-OD2 3.81Å; H22-D27 IonicContact ND1-OD1 3.78Å; H22-D27 PolarHBondContact ND1-OD1 3.35Å; H22-D27 IonicContact ND1-OD2 3.54Å; H22-D27 PolarHBondContact ND1-OD2 2.95Å; R23-D27 PolarHBondContact N-O 3.01Å; S24-D27 PolarHBondContact N-O 3.44Å; S24-D27 CarbonylContact O-C 3.51Å; S24-D27 PolarHBondContact O-N 3.5Å; S24-D27 WeakPolarHBondContact OG-CB 3.44Å; S24-D27 PolarHBondContact OG-N 2.99Å; D27-S40 WeakPolarHBondContact CA-OG 3.5Å
28R96.6Very high96.4Very high26 Ų2656 Ų5610%0.09826%0.264CS..EExtended strand (participates in β ladder)trans-135.7118.2-169.5-61.4-171.8-143.3-179.46.9111.5H22 S24 R25 I39 S40 S50 A57H22-R28 VanDerWaalsContact O-CA 3.27Å; H22-R28 WeakPolarHBondContact O-CA 3.17Å; S24-R28 WeakPolarHBondContact O-CG 3.41Å; S24-R28 PolarHBondContact O-NE 2.81Å; R25-R28 VanDerWaalsContact CG-NH2 3.3Å; R25-R28 VanDerWaalsContact O-CZ 3.27Å; R25-R28 PolarHBondContact O-NE 3.17Å; R25-R28 PolarHBondContact O-NH2 3.29Å; R28-I39 HydrophobicContact CB-CD1 4.04Å; R28-I39 HydrophobicContact CB-CG1 3.68Å; R28-I39 WeakPolarHBondContact O-CG1 3.42Å; R28-I39 PolarHBondContact O-N 3.5Å; R28-S40 PolarHBondContact N-OG 3.41Å; R28-S40 PolarHBondContact O-N 2.86Å; R28-S40 PolarHBondContact O-OG 3.29Å; R28-S50 PolarHBondContact NH1-O 2.64Å; R28-A57 HydrophobicContact CB-CB 4.06Å; R28-A57 HydrophobicContact CG-CB 3.94Å
29W98.3Very high96.4Very high25 Ų2553.2 Ų53.210%0.09525%0.252CS..EExtended strand (participates in β ladder)trans-110.2157.8165.6-60.72.1000109.6F14 E18 V19 H22 V36 Y37 A57 G58 I84F14-W29 HydrophobicContact CD1-CH2 4.16Å; F14-W29 AromaticContact CD1-CZ3 3.65Å; F14-W29 HydrophobicContact CD1-CZ3 3.65Å; F14-W29 AromaticContact CE1-CH2 3.69Å; F14-W29 HydrophobicContact CE1-CH2 3.69Å; F14-W29 AromaticContact CE1-CZ3 3.64Å; F14-W29 HydrophobicContact CE1-CZ3 3.64Å; F14-W29 HydrophobicContact CG-CZ3 4.33Å; F14-W29 HydrophobicContact CZ-CH2 4.29Å; F14-W29 HydrophobicContact CZ-CZ3 4.3Å; E18-W29 HydrophobicContact CG-CZ3 4.12Å; V19-W29 HydrophobicContact CG1-CB 4.4Å; V19-W29 HydrophobicContact CG2-CE3 4.35Å; H22-W29 HydrophobicContact CB-CB 3.79Å; H22-W29 HydrophobicContact CB-CD2 3.85Å; H22-W29 HydrophobicContact CB-CE3 4.49Å; H22-W29 HydrophobicContact CB-CG 3.5Å; H22-W29 VanDerWaalsContact CB-CG 3.5Å; H22-W29 AromaticContact CD2-CD2 3.38Å; H22-W29 AromaticContact CD2-CE2 3.55Å; H22-W29 AromaticContact CD2-CE3 3.38Å; H22-W29 AromaticContact CD2-CH2 3.77Å; H22-W29 AromaticContact CD2-CZ2 3.77Å; H22-W29 AromaticContact CD2-CZ3 3.58Å; H22-W29 AromaticContact CE1-CE2 3.68Å; H22-W29 AromaticContact CE1-CH2 3.95Å; H22-W29 AromaticContact CE1-CZ2 3.5Å; H22-W29 VanDerWaalsContact CE1-CZ2 3.5Å; H22-W29 WeakPolarHBondContact CE1-CZ2 3.45Å; H22-W29 AromaticContact CG-CD1 3.81Å; H22-W29 AromaticContact CG-CD2 3.47Å; H22-W29 VanDerWaalsContact CG-CD2 3.47Å; H22-W29 AromaticContact CG-CE2 3.52Å; H22-W29 AromaticContact CG-CE3 3.98Å; H22-W29 AromaticContact CG-CG 3.68Å; H22-W29 AromaticContact CG-NE1 3.67Å; H22-W29 AromaticContact ND1-CE2 3.59Å; H22-W29 AromaticContact ND1-CZ2 3.9Å; H22-W29 AromaticContact ND1-NE1 3.57Å; H22-W29 AromaticContact NE2-CD2 3.96Å; H22-W29 AromaticContact NE2-CE2 3.67Å; H22-W29 AromaticContact NE2-CE3 3.93Å; H22-W29 AromaticContact NE2-CH2 3.38Å; H22-W29 WeakPolarHBondContact NE2-CH2 3.39Å; H22-W29 AromaticContact NE2-CZ2 3.4Å; H22-W29 WeakPolarHBondContact NE2-CZ2 3.41Å; H22-W29 AromaticContact NE2-CZ3 3.65Å; H22-W29 PolarHBondContact O-N 2.9Å; W29-V36 HydrophobicContact CB-CG1 4.36Å; W29-V36 HydrophobicContact CD2-CG1 4.36Å; W29-V36 HydrophobicContact CE3-CG1 3.8Å; W29-Y37 CarbonylContact C-O 3.6Å; W29-Y37 WeakPolarHBondContact CA-O 3.26Å; W29-A57 CarbonylContact O-C 3.53Å; W29-A57 WeakPolarHBondContact O-CA 3.25Å; W29-G58 PolarHBondContact O-N 2.85Å; W29-I84 HydrophobicContact CD2-CD1 3.5Å; W29-I84 VanDerWaalsContact CD2-CD1 3.5Å; W29-I84 VanDerWaalsContact CE2-CD1 3.45Å; W29-I84 HydrophobicContact CE3-CD1 3.61Å; W29-I84 HydrophobicContact CG-CD1 4.2Å; W29-I84 HydrophobicContact CH2-CD1 3.67Å; W29-I84 HydrophobicContact CZ2-CD1 3.55Å; W29-I84 HydrophobicContact CZ3-CD1 3.7Å
30L97.9Very high96.3Very high7 Ų753.8 Ų53.84%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-145.7165.4167.66170.4000109.8I32 Y37 I39 I53 Y56 A61L30-I32 HydrophobicContact CD1-CD1 3.73Å; L30-I32 HydrophobicContact CD1-CG1 3.67Å; L30-Y37 HydrophobicContact CD1-CD2 4.11Å; L30-Y37 PolarHBondContact N-O 3.11Å; L30-Y37 PolarHBondContact O-N 3.36Å; L30-I39 HydrophobicContact CD2-CD1 3.64Å; L30-I39 HydrophobicContact CD2-CG1 4.41Å; L30-I39 HydrophobicContact CD2-CG2 4.17Å; L30-I39 HydrophobicContact CG-CD1 4.08Å; L30-I39 HydrophobicContact CG-CG1 4.36Å; L30-I39 HydrophobicContact CG-CG2 3.99Å; L30-I53 HydrophobicContact CD2-CD1 4.36Å; L30-I53 HydrophobicContact CD2-CG1 3.9Å; L30-Y56 WeakPolarHBondContact CB-O 3.29Å; L30-A61 HydrophobicContact CD2-CB 4.33Å
31V98.2Very high96.2Very high0 Ų057 Ų570%027%0.27CS..EExtended strand (participates in β ladder)trans-111.2136.8177.3-179.10000110.4W16 V19 K35 V36 E59 A61 L87W16-V31 HydrophobicContact CE3-CG2 4.47Å; W16-V31 HydrophobicContact CH2-CB 3.67Å; W16-V31 HydrophobicContact CH2-CG1 4.18Å; W16-V31 HydrophobicContact CH2-CG2 3.46Å; W16-V31 VanDerWaalsContact CH2-CG2 3.46Å; W16-V31 HydrophobicContact CZ2-CB 4.44Å; W16-V31 HydrophobicContact CZ2-CG1 4.5Å; W16-V31 HydrophobicContact CZ2-CG2 4.27Å; W16-V31 HydrophobicContact CZ3-CB 4.22Å; W16-V31 HydrophobicContact CZ3-CG2 3.57Å; V19-V31 HydrophobicContact CG1-CG2 4.05Å; V19-V31 HydrophobicContact CG2-CG2 4.49Å; V31-K35 CarbonylContact C-O 3.59Å; V31-K35 VanDerWaalsContact CA-O 3.27Å; V31-K35 WeakPolarHBondContact CA-O 3.34Å; V31-V36 HydrophobicContact CG2-CG2 4.3Å; V31-E59 PolarHBondContact N-O 3.45Å; V31-E59 VanDerWaalsContact N-O 3.1Å; V31-A61 PolarHBondContact O-N 3.39Å; V31-L87 HydrophobicContact CG1-CD1 3.84Å; V31-L87 HydrophobicContact CG1-CG 4.27Å; V31-L87 HydrophobicContact CG2-CD1 4.28Å; V31-L87 HydrophobicContact CG2-CD2 4.22Å; V31-L87 HydrophobicContact CG2-CG 4.32Å
32I97.3Very high96.2Very high10 Ų1054 Ų545%0.05126%0.256CS..EExtended strand (participates in β ladder)trans-133.5119.6167.6-58.7162.8000107.5L30 R34 K35 Y37 A61 F65 L79L30-I32 HydrophobicContact CD1-CD1 3.73Å; L30-I32 HydrophobicContact CD1-CG1 3.67Å; I32-R34 VanDerWaalsContact C-N 3.32Å; I32-R34 PolarHBondContact O-N 3.48Å; I32-K35 PolarHBondContact N-O 3.01Å; I32-K35 WeakPolarHBondContact O-CB 3.34Å; I32-K35 PolarHBondContact O-N 3.27Å; I32-Y37 HydrophobicContact CB-CD2 4.28Å; I32-Y37 HydrophobicContact CB-CE2 3.78Å; I32-Y37 HydrophobicContact CD1-CD2 4.27Å; I32-Y37 HydrophobicContact CD1-CE2 4.26Å; I32-Y37 HydrophobicContact CG1-CD2 4.36Å; I32-Y37 HydrophobicContact CG1-CE2 4.3Å; I32-A61 HydrophobicContact CG1-CB 4.44Å; I32-F65 HydrophobicContact CD1-CB 4.29Å; I32-F65 HydrophobicContact CD1-CD1 4.31Å; I32-F65 HydrophobicContact CD1-CD2 3.59Å; I32-F65 HydrophobicContact CD1-CE2 3.95Å; I32-F65 HydrophobicContact CD1-CG 3.81Å; I32-F65 HydrophobicContact CD1-CZ 4.45Å; I32-F65 HydrophobicContact CG1-CB 4.32Å; I32-F65 HydrophobicContact CG1-CD2 4.49Å; I32-F65 HydrophobicContact CG1-CG 4.26Å; I32-F65 HydrophobicContact CG2-CB 4.4Å; I32-F65 HydrophobicContact CG2-CD1 3.64Å; I32-F65 HydrophobicContact CG2-CE1 4.06Å; I32-F65 HydrophobicContact CG2-CG 4.06Å; I32-L79 HydrophobicContact CD1-CD1 4.42Å; I32-L79 HydrophobicContact CD1-CD2 4.03Å
33S95.3Very high96Very high80 Ų8053 Ų5356%0.55925%0.251SS*.THydrogen-bonded Turntrans50.551.1-179.7-52.10000112K35 T62S33-K35 PolarHBondContact O-N 2.99Å; S33-K35 VanDerWaalsContact O-N 3.08Å; S33-T62 PolarHBondContact N-OG1 2.95Å
34R97Very high95.9Very high63 Ų6354.6 Ų54.624%0.23826%0.261CS..THydrogen-bonded Turntrans63.6-0.8-175.7-55-177.561.281.17.6116.7I32 E86 L87 A88 E91 S93I32-R34 VanDerWaalsContact C-N 3.32Å; I32-R34 PolarHBondContact O-N 3.48Å; R34-E86 CarbonylContact O-C 3.58Å; R34-E86 WeakPolarHBondContact O-CA 3.2Å; R34-L87 HydrophobicContact CB-CB 4.47Å; R34-L87 PolarHBondContact NH2-O 3.44Å; R34-L87 VanDerWaalsContact NH2-O 3.13Å; R34-L87 PolarHBondContact O-N 3.49Å; R34-A88 PolarHBondContact NH2-O 2.96Å; R34-E91 PolarHBondContact NH1-O 3.43Å; R34-E91 PolarHBondContact NH2-O 3.03Å; R34-S93 VanDerWaalsContact CD-OG 3.31Å; R34-S93 WeakPolarHBondContact CD-OG 3.43Å; R34-S93 VanDerWaalsContact NH1-CA 3.3Å; R34-S93 PolarHBondContact NH1-OG 2.85Å
35K97.6Very high95.8Very high89 Ų8961 Ų6139%0.38728%0.275SS..EExtended strand (participates in β ladder)trans-89.2135.7176.1-67.5180-177.8-1770110.4V31 I32 S33 Y37 L83V31-K35 CarbonylContact C-O 3.59Å; V31-K35 VanDerWaalsContact CA-O 3.27Å; V31-K35 WeakPolarHBondContact CA-O 3.34Å; I32-K35 PolarHBondContact N-O 3.01Å; I32-K35 WeakPolarHBondContact O-CB 3.34Å; I32-K35 PolarHBondContact O-N 3.27Å; S33-K35 PolarHBondContact O-N 2.99Å; S33-K35 VanDerWaalsContact O-N 3.08Å; K35-Y37 HydrophobicContact CB-CD2 4.39Å; K35-Y37 HydrophobicContact CB-CE2 3.48Å; K35-Y37 VanDerWaalsContact CB-CE2 3.48Å; K35-Y37 WeakPolarHBondContact CD-OH 3.49Å; K35-Y37 VanDerWaalsContact O-CD2 3.24Å; K35-Y37 WeakPolarHBondContact O-CD2 3.34Å; K35-Y37 VanDerWaalsContact O-CE2 3.27Å; K35-Y37 WeakPolarHBondContact O-CE2 3.31Å; K35-L83 HydrophobicContact CB-CD1 3.69Å; K35-L83 HydrophobicContact CD-CD1 4.19Å; K35-L83 HydrophobicContact CG-CD1 4.17Å
36V98.4Very high96.1Very high0 Ų053.1 Ų53.10%025%0.247CC..EExtended strand (participates in β ladder)trans-96.7127.1-177.6-171.20000109.5F14 V19 W29 V31 I84 G85 L87F14-V36 HydrophobicContact CB-CG2 4.17Å; F14-V36 HydrophobicContact CD2-CB 4.09Å; F14-V36 HydrophobicContact CD2-CG1 4.39Å; F14-V36 HydrophobicContact CD2-CG2 3.95Å; F14-V36 HydrophobicContact CG-CG2 4.39Å; V19-V36 HydrophobicContact CG2-CG1 3.87Å; V19-V36 HydrophobicContact CG2-CG2 4.05Å; W29-V36 HydrophobicContact CB-CG1 4.36Å; W29-V36 HydrophobicContact CD2-CG1 4.36Å; W29-V36 HydrophobicContact CE3-CG1 3.8Å; V31-V36 HydrophobicContact CG2-CG2 4.3Å; V36-I84 HydrophobicContact CB-CG1 4.12Å; V36-I84 HydrophobicContact CG1-CD1 3.84Å; V36-I84 HydrophobicContact CG1-CG1 3.91Å; V36-I84 VanDerWaalsContact O-CG1 3.32Å; V36-I84 WeakPolarHBondContact O-CG1 3.13Å; V36-I84 PolarHBondContact O-N 3.44Å; V36-G85 PolarHBondContact N-O 3.44Å; V36-L87 HydrophobicContact CG2-CD2 4.07Å; V36-L87 HydrophobicContact CG2-CG 4.29Å
37Y98.3Very high96Very high6 Ų653 Ų532%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-121.5127.9-177.1-61.4-87.5000111.4W29 L30 I32 K35 I39 L79 L82 L83W29-Y37 CarbonylContact C-O 3.6Å; W29-Y37 WeakPolarHBondContact CA-O 3.26Å; L30-Y37 HydrophobicContact CD1-CD2 4.11Å; L30-Y37 PolarHBondContact N-O 3.11Å; L30-Y37 PolarHBondContact O-N 3.36Å; I32-Y37 HydrophobicContact CB-CD2 4.28Å; I32-Y37 HydrophobicContact CB-CE2 3.78Å; I32-Y37 HydrophobicContact CD1-CD2 4.27Å; I32-Y37 HydrophobicContact CD1-CE2 4.26Å; I32-Y37 HydrophobicContact CG1-CD2 4.36Å; I32-Y37 HydrophobicContact CG1-CE2 4.3Å; K35-Y37 HydrophobicContact CB-CD2 4.39Å; K35-Y37 HydrophobicContact CB-CE2 3.48Å; K35-Y37 VanDerWaalsContact CB-CE2 3.48Å; K35-Y37 WeakPolarHBondContact CD-OH 3.49Å; K35-Y37 VanDerWaalsContact O-CD2 3.24Å; K35-Y37 WeakPolarHBondContact O-CD2 3.34Å; K35-Y37 VanDerWaalsContact O-CE2 3.27Å; K35-Y37 WeakPolarHBondContact O-CE2 3.31Å; Y37-I39 PolarHBondContact O-N 2.98Å; Y37-L79 HydrophobicContact CD1-CB 4.41Å; Y37-L79 HydrophobicContact CD1-CD2 4.09Å; Y37-L79 HydrophobicContact CE1-CB 3.76Å; Y37-L79 HydrophobicContact CE1-CD2 4.03Å; Y37-L79 HydrophobicContact CE1-CG 4.33Å; Y37-L79 WeakPolarHBondContact CE1-O 3.23Å; Y37-L79 HydrophobicContact CG-CD2 4.49Å; Y37-L82 CarbonylContact C-O 3.6Å; Y37-L82 VanDerWaalsContact CA-O 3.27Å; Y37-L82 WeakPolarHBondContact CA-O 3.35Å; Y37-L82 HydrophobicContact CD1-CB 4.04Å; Y37-L83 HydrophobicContact CD1-CB 4.15Å; Y37-L83 HydrophobicContact CD1-CD1 4.34Å; Y37-L83 HydrophobicContact CE1-CB 3.9Å; Y37-L83 HydrophobicContact CE1-CD1 3.88Å; Y37-L83 HydrophobicContact CE1-CG 4.49Å
38N97.9Very high95.6Very high57 Ų5750.9 Ų50.931%0.30524%0.244SC..EExtended strand (participates in β ladder)trans-83.8107.6168.7-174.7-15.1000109.9S40 L82 I84N38-S40 VanDerWaalsContact OD1-CB 3.27Å; N38-S40 WeakPolarHBondContact OD1-CB 3.28Å; N38-S40 PolarHBondContact OD1-N 2.74Å; N38-S40 VanDerWaalsContact OD1-N 3.11Å; N38-S40 PolarHBondContact OD1-OG 2.99Å; N38-L82 PolarHBondContact N-O 3.35Å; N38-I84 HydrophobicContact CB-CD1 4.31Å; N38-I84 HydrophobicContact CB-CG2 3.78Å
39I97.1Very high95.3Very high3 Ų350.4 Ų50.42%0.01525%0.247CC..  trans-103.16.4-17660156.4000113.2R28 L30 Y37 Q41 W42 A43 I53R28-I39 HydrophobicContact CB-CD1 4.04Å; R28-I39 HydrophobicContact CB-CG1 3.68Å; R28-I39 WeakPolarHBondContact O-CG1 3.42Å; R28-I39 PolarHBondContact O-N 3.5Å; L30-I39 HydrophobicContact CD2-CD1 3.64Å; L30-I39 HydrophobicContact CD2-CG1 4.41Å; L30-I39 HydrophobicContact CD2-CG2 4.17Å; L30-I39 HydrophobicContact CG-CD1 4.08Å; L30-I39 HydrophobicContact CG-CG1 4.36Å; L30-I39 HydrophobicContact CG-CG2 3.99Å; Y37-I39 PolarHBondContact O-N 2.98Å; I39-Q41 VanDerWaalsContact C-N 3.34Å; I39-Q41 PolarHBondContact O-N 2.85Å; I39-W42 PolarHBondContact O-N 3.03Å; I39-W42 VanDerWaalsContact O-N 3.09Å; I39-A43 WeakPolarHBondContact O-CB 3.4Å; I39-A43 PolarHBondContact O-N 2.81Å; I39-I53 HydrophobicContact CB-CD1 4.24Å; I39-I53 HydrophobicContact CD1-CD1 3.87Å; I39-I53 HydrophobicContact CD1-CG1 3.71Å; I39-I53 HydrophobicContact CG2-CD1 4.16Å
40S96.4Very high95Very high11 Ų1151 Ų518%0.07726%0.255CS..THydrogen-bonded Turntrans-52.1-46.5-170.4-56.30000113.6D27 R28 N38D27-S40 WeakPolarHBondContact CA-OG 3.5Å; R28-S40 PolarHBondContact N-OG 3.41Å; R28-S40 PolarHBondContact O-N 2.86Å; R28-S40 PolarHBondContact O-OG 3.29Å; N38-S40 VanDerWaalsContact OD1-CB 3.27Å; N38-S40 WeakPolarHBondContact OD1-CB 3.28Å; N38-S40 PolarHBondContact OD1-N 2.74Å; N38-S40 VanDerWaalsContact OD1-N 3.11Å; N38-S40 PolarHBondContact OD1-OG 2.99Å
41Q94.9Very high94.7Very high131 Ų13155.7 Ų55.761%0.61228%0.277SS*.THydrogen-bonded Turntrans-86.9-33.2176.3-59.6-55.4-27.300112.7I39 A43 K44I39-Q41 VanDerWaalsContact C-N 3.34Å; I39-Q41 PolarHBondContact O-N 2.85Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 2.82Å; Q41-K44 PolarHBondContact O-N 3.32Å
42W95.4Very high94.5Very high58 Ų5856.2 Ų56.222%0.2228%0.28CS..G310 helixtrans-65.3-34.7-178.1-178.4-115.9000112.8I39 K44 R45 H46 F78 L82I39-W42 PolarHBondContact O-N 3.03Å; I39-W42 VanDerWaalsContact O-N 3.09Å; W42-K44 PolarHBondContact O-N 3.31Å; W42-R45 HydrophobicContact CE3-CB 4.26Å; W42-R45 HydrophobicContact CZ3-CB 4.23Å; W42-R45 CarbonylContact O-C 3.45Å; W42-R45 WeakPolarHBondContact O-CA 3.33Å; W42-R45 PolarHBondContact O-N 2.86Å; W42-H46 PolarHBondContact O-N 3.18Å; W42-F78 HydrophobicContact CH2-CB 4.2Å; W42-F78 AromaticContact CH2-CD1 3.28Å; W42-F78 HydrophobicContact CH2-CD1 3.28Å; W42-F78 AromaticContact CH2-CE1 3.89Å; W42-F78 HydrophobicContact CH2-CE1 3.89Å; W42-F78 AromaticContact CH2-CG 3.98Å; W42-F78 HydrophobicContact CH2-CG 3.98Å; W42-F78 HydrophobicContact CZ2-CB 3.9Å; W42-F78 AromaticContact CZ2-CD1 3.77Å; W42-F78 HydrophobicContact CZ2-CD1 3.77Å; W42-F78 AromaticContact CZ2-CG 3.99Å; W42-F78 HydrophobicContact CZ2-CG 3.99Å; W42-F78 HydrophobicContact CZ3-CD1 4.06Å; W42-L82 HydrophobicContact CB-CD1 3.84Å; W42-L82 HydrophobicContact CB-CD2 3.8Å; W42-L82 HydrophobicContact CB-CG 4.5Å; W42-L82 HydrophobicContact CD2-CD1 4.15Å; W42-L82 HydrophobicContact CG-CD1 3.56Å; W42-L82 HydrophobicContact CG-CD2 4.28Å
43A94.7Very high94.4Very high1 Ų156.7 Ų56.71%0.00828%0.282CS..G310 helixtrans-53-33.9-179.200000113.1I39 Q41 R45 H46 S50 I53I39-A43 WeakPolarHBondContact O-CB 3.4Å; I39-A43 PolarHBondContact O-N 2.81Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 2.82Å; A43-R45 VanDerWaalsContact C-N 3.27Å; A43-R45 PolarHBondContact O-N 2.85Å; A43-H46 PolarHBondContact O-N 2.83Å; A43-S50 WeakPolarHBondContact O-CA 3.47Å; A43-S50 WeakPolarHBondContact O-CB 2.91Å; A43-I53 HydrophobicContact CB-CG2 3.78Å
44K91.9Very high94.4Very high143 Ų14353.7 Ų53.762%0.62226%0.264SS*.G310 helixtrans-69-24.5178.4-62.6173.6-173.8163.80113.4Q41 W42Q41-K44 PolarHBondContact O-N 3.32Å; W42-K44 PolarHBondContact O-N 3.31Å
45R92.4Very high94.3Very high201 Ų20151.8 Ų51.876%0.75826%0.258SS*.THydrogen-bonded Turntrans-107-5.1-177.7-60.8-179-177.6170.71.1112.7W42 A43 P47W42-R45 HydrophobicContact CE3-CB 4.26Å; W42-R45 HydrophobicContact CZ3-CB 4.23Å; W42-R45 CarbonylContact O-C 3.45Å; W42-R45 WeakPolarHBondContact O-CA 3.33Å; W42-R45 PolarHBondContact O-N 2.86Å; A43-R45 VanDerWaalsContact C-N 3.27Å; A43-R45 PolarHBondContact O-N 2.85Å; R45-P47 WeakPolarHBondContact O-CD 3.42Å
46H94.1Very high94.2Very high28 Ų2848.1 Ų48.113%0.1324%0.242CC..  trans-58.8124.9-178.1-179.2-115.1000110.4W42 A43 G48 G49 I53 H69W42-H46 PolarHBondContact O-N 3.18Å; A43-H46 PolarHBondContact O-N 2.83Å; H46-G48 PolarHBondContact ND1-N 3.02Å; H46-G48 PolarHBondContact O-N 3.13Å; H46-G49 PolarHBondContact ND1-O 2.78Å; H46-G49 WeakPolarHBondContact O-CA 3.39Å; H46-G49 PolarHBondContact O-N 3.42Å; H46-I53 HydrophobicContact CB-CG2 4.23Å; H46-H69 AromaticContact NE2-NE2 3.98Å
47P89.8Confident94.2Very high117 Ų11748.5 Ų48.576%0.7625%0.245SC*.THydrogen-bonded Turntrans-59.6-29.5-176.7-28.136.1000114.7R45 G49R45-P47 WeakPolarHBondContact O-CD 3.42Å; P47-G49 PolarHBondContact O-N 3.3Å
48G87.9Confident94.1Very high13 Ų1348.2 Ų48.213%0.13424%0.244CC..THydrogen-bonded Turntrans-77-7.3173.900000114.2H46 V52H46-G48 PolarHBondContact ND1-N 3.02Å; H46-G48 PolarHBondContact O-N 3.13Å; G48-V52 VanDerWaalsContact O-CG1 3.24Å; G48-V52 WeakPolarHBondContact O-CG1 3.46Å
49G90.2Very high94Very high15 Ų1546 Ų4616%0.15523%0.232CC..  trans100.1164.7-175.400000113.7H46 P47 V52H46-G49 PolarHBondContact ND1-O 2.78Å; H46-G49 WeakPolarHBondContact O-CA 3.39Å; H46-G49 PolarHBondContact O-N 3.42Å; P47-G49 PolarHBondContact O-N 3.3Å; G49-V52 WeakPolarHBondContact O-CG1 3.46Å
50S91.8Very high94Very high38 Ų3846 Ų4627%0.26623%0.231SC..Hα-helixtrans-80-21.7-176.358.30000114.6R28 A43 G54R28-S50 PolarHBondContact NH1-O 2.64Å; A43-S50 WeakPolarHBondContact O-CA 3.47Å; A43-S50 WeakPolarHBondContact O-CB 2.91Å; S50-G54 PolarHBondContact O-N 3.24Å
51H92.1Very high94Very high106 Ų10645.8 Ų45.849%0.49123%0.23SC..Hα-helixtrans-76.2-51.7177.9-71.3-89.5000110.7I53 G54 H55 N212H51-I53 VanDerWaalsContact C-N 3.34Å; H51-I53 PolarHBondContact O-N 2.9Å; H51-G54 CarbonylContact O-C 3.49Å; H51-G54 VanDerWaalsContact O-CA 3.31Å; H51-G54 WeakPolarHBondContact O-CA 3.47Å; H51-G54 PolarHBondContact O-N 3.36Å; H51-H55 PolarHBondContact O-N 3.25Å; H51-N212 VanDerWaalsContact CB-OD1 3.25Å; H51-N212 WeakPolarHBondContact CB-OD1 3.04Å
52V93.9Very high94.1Very high11 Ų1139.9 Ų39.97%0.06720%0.203CC..Hα-helixtrans-55.8-45.1-17673.30000113.1G48 G49 G54 Y211 N212 A215G48-V52 VanDerWaalsContact O-CG1 3.24Å; G48-V52 WeakPolarHBondContact O-CG1 3.46Å; G49-V52 WeakPolarHBondContact O-CG1 3.46Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-Y211 VanDerWaalsContact CG2-O 3.3Å; V52-Y211 WeakPolarHBondContact CG2-O 3.47Å; V52-N212 PolarHBondContact N-OD1 3.12Å; V52-A215 HydrophobicContact CG2-CB 3.46Å; V52-A215 VanDerWaalsContact CG2-CB 3.46Å
53I95.1Very high94.1Very high20 Ų2037.2 Ų37.210%0.10319%0.193CC..Hα-helixtrans-75-28.5176.9-165.3179.9000111.6L30 I39 A43 H46 H51 H55 Y56L30-I53 HydrophobicContact CD2-CD1 4.36Å; L30-I53 HydrophobicContact CD2-CG1 3.9Å; I39-I53 HydrophobicContact CB-CD1 4.24Å; I39-I53 HydrophobicContact CD1-CD1 3.87Å; I39-I53 HydrophobicContact CD1-CG1 3.71Å; I39-I53 HydrophobicContact CG2-CD1 4.16Å; A43-I53 HydrophobicContact CB-CG2 3.78Å; H46-I53 HydrophobicContact CB-CG2 4.23Å; H51-I53 VanDerWaalsContact C-N 3.34Å; H51-I53 PolarHBondContact O-N 2.9Å; I53-H55 VanDerWaalsContact C-N 3.29Å; I53-H55 PolarHBondContact O-N 2.88Å; I53-Y56 PolarHBondContact O-N 3.15Å
54G95.3Very high94.1Very high17 Ų1737.3 Ų37.318%0.17519%0.194CC..Hα-helixtrans-68.4-26.7176.300000113.9S50 H51 V52 Y56 A57S50-G54 PolarHBondContact O-N 3.24Å; H51-G54 CarbonylContact O-C 3.49Å; H51-G54 VanDerWaalsContact O-CA 3.31Å; H51-G54 WeakPolarHBondContact O-CA 3.47Å; H51-G54 PolarHBondContact O-N 3.36Å; V52-G54 VanDerWaalsContact C-N 3.34Å; G54-Y56 PolarHBondContact O-N 3.35Å; G54-Y56 VanDerWaalsContact O-N 3.11Å; G54-A57 WeakPolarHBondContact O-CB 3.31Å; G54-A57 PolarHBondContact O-N 3.04Å; G54-A57 VanDerWaalsContact O-N 3.09Å
55H95.2Very high94.3Very high22 Ų2231.4 Ų31.410%0.10217%0.168CC..THydrogen-bonded Turntrans-61.9-16.6178-68.3-26.5000114.2H51 I53 N212 K216 K222H51-H55 PolarHBondContact O-N 3.25Å; I53-H55 VanDerWaalsContact C-N 3.29Å; I53-H55 PolarHBondContact O-N 2.88Å; H55-N212 PolarHBondContact NE2-OD1 2.95Å; H55-N212 VanDerWaalsContact NE2-OD1 3.11Å; H55-K216 HydrophobicContact CB-CG 3.9Å; H55-K222 HydrophobicContact CB-CD 4.2Å; H55-K222 PolarHBondContact NE2-O 2.89Å; H55-K222 PolarHBondContact O-NZ 2.88Å
56Y96.3Very high94.4Very high13 Ų1323.8 Ų23.85%0.05114%0.144CC..THydrogen-bonded Turntrans-111.513.6179.7-64-88.1000113L30 I53 G54 G58 E59 A61 A64 A215 W348L30-Y56 WeakPolarHBondContact CB-O 3.29Å; I53-Y56 PolarHBondContact O-N 3.15Å; G54-Y56 PolarHBondContact O-N 3.35Å; G54-Y56 VanDerWaalsContact O-N 3.11Å; Y56-G58 PolarHBondContact O-N 2.97Å; Y56-E59 PolarHBondContact O-N 3.48Å; Y56-E59 VanDerWaalsContact O-N 3.1Å; Y56-A61 HydrophobicContact CD1-CB 3.99Å; Y56-A61 HydrophobicContact CG-CB 4.01Å; Y56-A64 HydrophobicContact CE1-CB 3.7Å; Y56-A64 HydrophobicContact CE2-CB 3.99Å; Y56-A64 WeakPolarHBondContact OH-CB 3.5Å; Y56-A215 HydrophobicContact CE2-CB 3.94Å; Y56-A215 PolarHBondContact OH-O 2.93Å; Y56-W348 VanDerWaalsContact OH-CD1 3.3Å; Y56-W348 PolarHBondContact OH-NE1 3.46Å
57A96.7Very high94.4Very high8 Ų822.7 Ų22.77%0.06614%0.14CC..THydrogen-bonded Turntrans-62.3128.1175.800000109.9R23 R28 W29 G54 E59R23-A57 WeakPolarHBondContact CG-O 3.45Å; R28-A57 HydrophobicContact CB-CB 4.06Å; R28-A57 HydrophobicContact CG-CB 3.94Å; W29-A57 CarbonylContact O-C 3.53Å; W29-A57 WeakPolarHBondContact O-CA 3.25Å; G54-A57 WeakPolarHBondContact O-CB 3.31Å; G54-A57 PolarHBondContact O-N 3.04Å; G54-A57 VanDerWaalsContact O-N 3.09Å; A57-E59 VanDerWaalsContact C-N 3.29Å; A57-E59 PolarHBondContact O-N 3.4Å
58G96.8Very high94.5Very high0 Ų019.6 Ų19.60%012%0.115CC..THydrogen-bonded Turntrans65.425.7-174.200000114.5R23 W29 Y56R23-G58 PolarHBondContact NE-O 2.81Å; R23-G58 PolarHBondContact NH2-O 3.25Å; W29-G58 PolarHBondContact O-N 2.85Å; Y56-G58 PolarHBondContact O-N 2.97Å
59E96.6Very high94.8Very high11 Ų1120.9 Ų20.95%0.05112%0.117CC..SBendtrans-127.5161176.7-61.3179.9-152.100110.7V31 Y56 A57 K216 K222V31-E59 PolarHBondContact N-O 3.45Å; V31-E59 VanDerWaalsContact N-O 3.1Å; Y56-E59 PolarHBondContact O-N 3.48Å; Y56-E59 VanDerWaalsContact O-N 3.1Å; A57-E59 VanDerWaalsContact C-N 3.29Å; A57-E59 PolarHBondContact O-N 3.4Å; E59-K216 IonicContact OE1-NZ 2.64Å; E59-K216 IonicContact OE2-NZ 3.25Å; E59-K216 PolarHBondContact OE2-NZ 3.09Å; E59-K222 IonicContact OE1-NZ 3.87Å
60D97.3Very high94.7Very high2 Ų223.2 Ų23.21%0.01113%0.129CC..BIsolated β-bridgetrans-71123.1160.4-17412.7000109.7W16 T62 Q94 D95W16-D60 HydrophobicContact CH2-CB 3.79Å; W16-D60 HydrophobicContact CZ2-CB 4.24Å; D60-T62 VanDerWaalsContact OD1-CB 3.28Å; D60-T62 WeakPolarHBondContact OD1-CB 3.44Å; D60-T62 PolarHBondContact OD1-N 3.32Å; D60-T62 PolarHBondContact OD1-OG1 2.98Å; D60-Q94 PolarHBondContact OD2-NE2 2.83Å; D60-D95 WeakPolarHBondContact CB-OD1 3.45Å; D60-D95 PolarHBondContact N-OD1 2.95Å
61A96.6Very high94.6Very high6 Ų625.4 Ų25.45%0.0514%0.138CC..  trans-109.69.9-179.500000112.6L30 V31 I32 Y56 E63 A64 F65L30-A61 HydrophobicContact CD2-CB 4.33Å; V31-A61 PolarHBondContact O-N 3.39Å; I32-A61 HydrophobicContact CG1-CB 4.44Å; Y56-A61 HydrophobicContact CD1-CB 3.99Å; Y56-A61 HydrophobicContact CG-CB 4.01Å; A61-E63 PolarHBondContact O-N 3.48Å; A61-A64 PolarHBondContact O-N 2.88Å; A61-F65 WeakPolarHBondContact O-CB 3.21Å; A61-F65 PolarHBondContact O-N 3.49Å
62T96.1Very high94.3Very high8 Ų823.3 Ų23.35%0.04913%0.129CC..Hα-helixtrans-54.7-48.5-170.2-61.90000113.6S33 D60 F65 T66S33-T62 PolarHBondContact N-OG1 2.95Å; D60-T62 VanDerWaalsContact OD1-CB 3.28Å; D60-T62 WeakPolarHBondContact OD1-CB 3.44Å; D60-T62 PolarHBondContact OD1-N 3.32Å; D60-T62 PolarHBondContact OD1-OG1 2.98Å; T62-F65 PolarHBondContact O-N 2.85Å; T62-T66 WeakPolarHBondContact O-CB 3.36Å; T62-T66 PolarHBondContact O-N 3.31Å; T62-T66 PolarHBondContact O-OG1 3.33Å
63E95.4Very high94Very high2 Ų231.5 Ų31.51%0.00916%0.163CC..Hα-helixtrans-70.8-42.6-176.1-60.687.1159.400111.5A61 T66 A67 I103 W348A61-E63 PolarHBondContact O-N 3.48Å; E63-T66 PolarHBondContact O-N 2.86Å; E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 2.76Å; E63-I103 HydrophobicContact CG-CG2 4.31Å; E63-I103 WeakPolarHBondContact OE1-CD1 3.47Å; E63-I103 WeakPolarHBondContact OE1-CG1 3.12Å; E63-I103 WeakPolarHBondContact OE1-CG2 3.35Å; E63-W348 HydrophobicContact CB-CB 3.91Å; E63-W348 HydrophobicContact CB-CD2 4.05Å; E63-W348 HydrophobicContact CB-CE3 3.99Å; E63-W348 HydrophobicContact CB-CG 4.05Å; E63-W348 HydrophobicContact CG-CB 4.46Å
64A95.3Very high93.8Very high3 Ų335.6 Ų35.63%0.02518%0.18CC..Hα-helixtrans-63.8-43.7176.200000111.2Y56 A61 T66 A67 F68Y56-A64 HydrophobicContact CE1-CB 3.7Å; Y56-A64 HydrophobicContact CE2-CB 3.99Å; Y56-A64 WeakPolarHBondContact OH-CB 3.5Å; A61-A64 PolarHBondContact O-N 2.88Å; A64-T66 VanDerWaalsContact C-N 3.33Å; A64-T66 PolarHBondContact O-N 2.93Å; A64-A67 PolarHBondContact O-N 3.48Å; A64-F68 HydrophobicContact CB-CD2 4.45Å; A64-F68 HydrophobicContact CB-CE2 4.15Å; A64-F68 WeakPolarHBondContact O-CD2 3.22Å; A64-F68 WeakPolarHBondContact O-CG 3.4Å; A64-F68 PolarHBondContact O-N 3.09Å
65F95.6Very high93.7Very high19 Ų1935.8 Ų35.88%0.08318%0.178CC..Hα-helixtrans-59-46175.7178.6-100.1000111I32 A61 T62 H69 V75 L79I32-F65 HydrophobicContact CD1-CB 4.29Å; I32-F65 HydrophobicContact CD1-CD1 4.31Å; I32-F65 HydrophobicContact CD1-CD2 3.59Å; I32-F65 HydrophobicContact CD1-CE2 3.95Å; I32-F65 HydrophobicContact CD1-CG 3.81Å; I32-F65 HydrophobicContact CD1-CZ 4.45Å; I32-F65 HydrophobicContact CG1-CB 4.32Å; I32-F65 HydrophobicContact CG1-CD2 4.49Å; I32-F65 HydrophobicContact CG1-CG 4.26Å; I32-F65 HydrophobicContact CG2-CB 4.4Å; I32-F65 HydrophobicContact CG2-CD1 3.64Å; I32-F65 HydrophobicContact CG2-CE1 4.06Å; I32-F65 HydrophobicContact CG2-CG 4.06Å; A61-F65 WeakPolarHBondContact O-CB 3.21Å; A61-F65 PolarHBondContact O-N 3.49Å; T62-F65 PolarHBondContact O-N 2.85Å; F65-H69 AromaticContact CD2-CE1 3.47Å; F65-H69 VanDerWaalsContact CD2-CE1 3.47Å; F65-H69 WeakPolarHBondContact CD2-CE1 3.28Å; F65-H69 AromaticContact CD2-ND1 3.29Å; F65-H69 VanDerWaalsContact CD2-ND1 3.29Å; F65-H69 WeakPolarHBondContact CD2-ND1 3.36Å; F65-H69 AromaticContact CE2-CE1 3.79Å; F65-H69 AromaticContact CE2-CG 3.89Å; F65-H69 AromaticContact CE2-ND1 3.61Å; F65-H69 AromaticContact CG-ND1 3.85Å; F65-H69 WeakPolarHBondContact O-CB 3.33Å; F65-H69 PolarHBondContact O-N 2.55Å; F65-H69 VanDerWaalsContact O-N 3.12Å; F65-H69 PolarHBondContact O-ND1 2.88Å; F65-V75 HydrophobicContact CE2-CG1 3.57Å; F65-V75 HydrophobicContact CZ-CB 4.36Å; F65-V75 HydrophobicContact CZ-CG1 3.58Å; F65-L79 HydrophobicContact CE1-CD1 4.2Å; F65-L79 HydrophobicContact CE2-CD1 4Å; F65-L79 HydrophobicContact CE2-CD2 4.47Å; F65-L79 HydrophobicContact CZ-CD1 3.5Å; F65-L79 HydrophobicContact CZ-CG 4.41Å
66T94.3Very high93.4Very high40 Ų4038.1 Ų38.125%0.24519%0.189CC..Hα-helixtrans-66.5-37.8177.6-57.50000112.5T62 E63 A64 R110 R383T62-T66 WeakPolarHBondContact O-CB 3.36Å; T62-T66 PolarHBondContact O-N 3.31Å; T62-T66 PolarHBondContact O-OG1 3.33Å; E63-T66 PolarHBondContact O-N 2.86Å; A64-T66 VanDerWaalsContact C-N 3.33Å; A64-T66 PolarHBondContact O-N 2.93Å; T66-R110 VanDerWaalsContact CG2-NH1 3.28Å; T66-R383 PolarHBondContact O-NH2 3.48Å
67A93.9Very high93.2Very high5 Ų544.6 Ų44.64%0.04122%0.218CC..Hα-helixtrans-64.5-44.6178.400000111.9E63 A64 W348 P382 R383E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 2.76Å; A64-A67 PolarHBondContact O-N 3.48Å; A67-W348 HydrophobicContact CB-CH2 3.88Å; A67-W348 HydrophobicContact CB-CZ2 3.83Å; A67-P382 HydrophobicContact CB-CG 4.27Å; A67-R383 WeakPolarHBondContact O-CD 3.42Å; A67-R383 WeakPolarHBondContact O-CG 3.46Å; A67-R383 PolarHBondContact O-NE 3.08Å
68F93.1Very high93.1Very high53 Ų5347.9 Ų47.923%0.23223%0.23CC..Hα-helixtrans-93.5-19.8-170-57.1-41.7000115.4A64 P70 H214 A215 P382A64-F68 HydrophobicContact CB-CD2 4.45Å; A64-F68 HydrophobicContact CB-CE2 4.15Å; A64-F68 WeakPolarHBondContact O-CD2 3.22Å; A64-F68 WeakPolarHBondContact O-CG 3.4Å; A64-F68 PolarHBondContact O-N 3.09Å; F68-P70 WeakPolarHBondContact O-CD 3.41Å; F68-H214 HydrophobicContact CE1-CB 3.73Å; F68-H214 HydrophobicContact CZ-CB 3.7Å; F68-A215 HydrophobicContact CE2-CB 4.42Å; F68-P382 HydrophobicContact CD1-CG 3.98Å; F68-P382 HydrophobicContact CE1-CG 3.84Å
69H93.1Very high92.9Very high40 Ų4048.5 Ų48.519%0.18523%0.234CC..  trans-102.4102.6-175.3-6490.2000112.2H46 F65 Q72 V75H46-H69 AromaticContact NE2-NE2 3.98Å; F65-H69 AromaticContact CD2-CE1 3.47Å; F65-H69 VanDerWaalsContact CD2-CE1 3.47Å; F65-H69 WeakPolarHBondContact CD2-CE1 3.28Å; F65-H69 AromaticContact CD2-ND1 3.29Å; F65-H69 VanDerWaalsContact CD2-ND1 3.29Å; F65-H69 WeakPolarHBondContact CD2-ND1 3.36Å; F65-H69 AromaticContact CE2-CE1 3.79Å; F65-H69 AromaticContact CE2-CG 3.89Å; F65-H69 AromaticContact CE2-ND1 3.61Å; F65-H69 AromaticContact CG-ND1 3.85Å; F65-H69 WeakPolarHBondContact O-CB 3.33Å; F65-H69 PolarHBondContact O-N 2.55Å; F65-H69 VanDerWaalsContact O-N 3.12Å; F65-H69 PolarHBondContact O-ND1 2.88Å; H69-Q72 PolarHBondContact O-NE2 3.02Å; H69-V75 HydrophobicContact CB-CG2 4.11Å
70P88.1Confident92.8Very high63 Ų6355.5 Ų55.541%0.40926%0.264SS..SBendtrans-70.4-34.1-176.425.4-33.6000114.4F68 L178F68-P70 WeakPolarHBondContact O-CD 3.41Å; P70-L178 HydrophobicContact CG-CD1 4.01Å
71D89.5Confident92.7Very high84 Ų8460.4 Ų60.445%0.44930%0.296SS..  trans-113.486.2-179.1-172.9-14.7000110K73 F74 V75D71-K73 PolarHBondContact O-N 3.1Å; D71-K73 WeakPolarHBondContact OD1-CB 3.07Å; D71-K73 PolarHBondContact OD1-N 2.86Å; D71-K73 VanDerWaalsContact OD1-N 3.13Å; D71-F74 HydrophobicContact CB-CB 3.88Å; D71-F74 PolarHBondContact O-N 3.46Å; D71-F74 PolarHBondContact OD1-N 2.82Å; D71-F74 WeakPolarHBondContact OD2-CB 3.34Å; D71-V75 VanDerWaalsContact O-CG2 3.32Å; D71-V75 WeakPolarHBondContact O-CG2 3.38Å; D71-V75 PolarHBondContact O-N 3.31Å
72Q85.9Confident92.7Very high63 Ų6361.3 Ų61.329%0.29430%0.3SS..Hα-helixtrans-57.4-37.2178.6-68.5-64.8-11.900112H69 F74 V75 Q76H69-Q72 PolarHBondContact O-NE2 3.02Å; Q72-F74 PolarHBondContact O-N 3.46Å; Q72-V75 PolarHBondContact O-N 3.4Å; Q72-Q76 WeakPolarHBondContact O-CB 3.49Å; Q72-Q76 WeakPolarHBondContact O-CG 3.35Å; Q72-Q76 PolarHBondContact O-N 3.03Å
73K88.7Confident92.8Very high182 Ų18264.5 Ų64.579%0.79132%0.316SS*.Hα-helixtrans-66.8-39.8179.7-67.5-177.9179.2179.70111.8D71D71-K73 PolarHBondContact O-N 3.1Å; D71-K73 WeakPolarHBondContact OD1-CB 3.07Å; D71-K73 PolarHBondContact OD1-N 2.86Å; D71-K73 VanDerWaalsContact OD1-N 3.13Å
74F90.7Very high92.9Very high106 Ų10666.8 Ų66.847%0.46533%0.328SS..Hα-helixtrans-65.7-47174.3175.5-104.9000111.5D71 Q72 Q76 K77 F78D71-F74 HydrophobicContact CB-CB 3.88Å; D71-F74 PolarHBondContact O-N 3.46Å; D71-F74 PolarHBondContact OD1-N 2.82Å; D71-F74 WeakPolarHBondContact OD2-CB 3.34Å; Q72-F74 PolarHBondContact O-N 3.46Å; F74-Q76 VanDerWaalsContact C-N 3.3Å; F74-Q76 PolarHBondContact O-N 3.47Å; F74-K77 WeakPolarHBondContact O-CB 3.15Å; F74-K77 WeakPolarHBondContact O-CG 3.45Å; F74-K77 PolarHBondContact O-N 3.27Å; F74-F78 HydrophobicContact CD1-CE2 4.12Å; F74-F78 AromaticContact CE1-CE2 3.57Å; F74-F78 HydrophobicContact CE1-CE2 3.57Å; F74-F78 HydrophobicContact CE1-CZ 4.25Å; F74-F78 HydrophobicContact CE2-CE2 4.04Å; F74-F78 HydrophobicContact CE2-CZ 4.43Å; F74-F78 AromaticContact CZ-CE2 3.53Å; F74-F78 HydrophobicContact CZ-CE2 3.53Å; F74-F78 AromaticContact CZ-CZ 3.86Å; F74-F78 HydrophobicContact CZ-CZ 3.86Å
75V91.8Very high93Very high22 Ų2266.8 Ų66.813%0.13333%0.328CS..Hα-helixtrans-66.4-33-176.7178.30000112F65 H69 D71 Q72 K77 F78 L79F65-V75 HydrophobicContact CE2-CG1 3.57Å; F65-V75 HydrophobicContact CZ-CB 4.36Å; F65-V75 HydrophobicContact CZ-CG1 3.58Å; H69-V75 HydrophobicContact CB-CG2 4.11Å; D71-V75 VanDerWaalsContact O-CG2 3.32Å; D71-V75 WeakPolarHBondContact O-CG2 3.38Å; D71-V75 PolarHBondContact O-N 3.31Å; Q72-V75 PolarHBondContact O-N 3.4Å; V75-K77 PolarHBondContact O-N 3.39Å; V75-F78 PolarHBondContact O-N 2.76Å; V75-L79 HydrophobicContact CG1-CG 4.42Å; V75-L79 PolarHBondContact O-N 3.3Å
76Q89.6Confident93.1Very high71 Ų7170.3 Ų70.333%0.33235%0.345SS..Hα-helixtrans-56.5-26.1175.2-78.3-66.31.600113.8Q72 F74 F78 L79 K80Q72-Q76 WeakPolarHBondContact O-CB 3.49Å; Q72-Q76 WeakPolarHBondContact O-CG 3.35Å; Q72-Q76 PolarHBondContact O-N 3.03Å; F74-Q76 VanDerWaalsContact C-N 3.3Å; F74-Q76 PolarHBondContact O-N 3.47Å; Q76-F78 PolarHBondContact O-N 3.37Å; Q76-L79 PolarHBondContact O-N 3.27Å; Q76-K80 WeakPolarHBondContact O-CG 3.32Å; Q76-K80 PolarHBondContact O-N 2.79Å; Q76-K80 VanDerWaalsContact O-N 3.13Å
77K92.9Very high93.3Very high149 Ų14968.6 Ų68.665%0.64833%0.334SS*.Hα-helixtrans-63.1-31.3174.5-61.1-179.3-179.4-1780112.6F74 V75 P81F74-K77 WeakPolarHBondContact O-CB 3.15Å; F74-K77 WeakPolarHBondContact O-CG 3.45Å; F74-K77 PolarHBondContact O-N 3.27Å; V75-K77 PolarHBondContact O-N 3.39Å; K77-P81 WeakPolarHBondContact O-CD 3.25Å
78F93.4Very high93.4Very high76 Ų7669.2 Ų69.233%0.33334%0.34SS..Hα-helixtrans-87.9-26.6177.7-57.6-84.2000112.3W42 F74 V75 Q76 P81 L82W42-F78 HydrophobicContact CH2-CB 4.2Å; W42-F78 AromaticContact CH2-CD1 3.28Å; W42-F78 HydrophobicContact CH2-CD1 3.28Å; W42-F78 AromaticContact CH2-CE1 3.89Å; W42-F78 HydrophobicContact CH2-CE1 3.89Å; W42-F78 AromaticContact CH2-CG 3.98Å; W42-F78 HydrophobicContact CH2-CG 3.98Å; W42-F78 HydrophobicContact CZ2-CB 3.9Å; W42-F78 AromaticContact CZ2-CD1 3.77Å; W42-F78 HydrophobicContact CZ2-CD1 3.77Å; W42-F78 AromaticContact CZ2-CG 3.99Å; W42-F78 HydrophobicContact CZ2-CG 3.99Å; W42-F78 HydrophobicContact CZ3-CD1 4.06Å; F74-F78 HydrophobicContact CD1-CE2 4.12Å; F74-F78 AromaticContact CE1-CE2 3.57Å; F74-F78 HydrophobicContact CE1-CE2 3.57Å; F74-F78 HydrophobicContact CE1-CZ 4.25Å; F74-F78 HydrophobicContact CE2-CE2 4.04Å; F74-F78 HydrophobicContact CE2-CZ 4.43Å; F74-F78 AromaticContact CZ-CE2 3.53Å; F74-F78 HydrophobicContact CZ-CE2 3.53Å; F74-F78 AromaticContact CZ-CZ 3.86Å; F74-F78 HydrophobicContact CZ-CZ 3.86Å; V75-F78 PolarHBondContact O-N 2.76Å; Q76-F78 PolarHBondContact O-N 3.37Å; F78-P81 WeakPolarHBondContact O-CD 3.43Å; F78-P81 WeakPolarHBondContact O-CG 3.45Å; F78-L82 VanDerWaalsContact O-CD1 3.31Å; F78-L82 WeakPolarHBondContact O-CD1 3.44Å; F78-L82 VanDerWaalsContact O-CG 3.3Å; F78-L82 WeakPolarHBondContact O-CG 3.35Å
79L93.9Very high93.5Very high13 Ų1371.7 Ų71.77%0.06837%0.369CS..Hα-helixtrans-73.8-38177.6-73-178.9000113.3I32 Y37 F65 V75 Q76 L82 L83I32-L79 HydrophobicContact CD1-CD1 4.42Å; I32-L79 HydrophobicContact CD1-CD2 4.03Å; Y37-L79 HydrophobicContact CD1-CB 4.41Å; Y37-L79 HydrophobicContact CD1-CD2 4.09Å; Y37-L79 HydrophobicContact CE1-CB 3.76Å; Y37-L79 HydrophobicContact CE1-CD2 4.03Å; Y37-L79 HydrophobicContact CE1-CG 4.33Å; Y37-L79 WeakPolarHBondContact CE1-O 3.23Å; Y37-L79 HydrophobicContact CG-CD2 4.49Å; F65-L79 HydrophobicContact CE1-CD1 4.2Å; F65-L79 HydrophobicContact CE2-CD1 4Å; F65-L79 HydrophobicContact CE2-CD2 4.47Å; F65-L79 HydrophobicContact CZ-CD1 3.5Å; F65-L79 HydrophobicContact CZ-CG 4.41Å; V75-L79 HydrophobicContact CG1-CG 4.42Å; V75-L79 PolarHBondContact O-N 3.3Å; Q76-L79 PolarHBondContact O-N 3.27Å; L79-L82 WeakPolarHBondContact O-CB 3.19Å; L79-L82 PolarHBondContact O-N 2.65Å; L79-L83 PolarHBondContact O-N 3.37Å; L79-L83 VanDerWaalsContact O-N 3.17Å
80K93.3Very high93.6Very high159 Ų15976 Ų7669%0.69140%0.399SS*.G310 helixtrans-47.6-52.7-179.3-78.5179.2-178.9-167.20114.5Q76 L82 L83Q76-K80 WeakPolarHBondContact O-CG 3.32Å; Q76-K80 PolarHBondContact O-N 2.79Å; Q76-K80 VanDerWaalsContact O-N 3.13Å; K80-L82 PolarHBondContact O-N 2.87Å; K80-L83 PolarHBondContact O-N 3.28Å
81P95.3Very high93.9Very high105 Ų10575.2 Ų75.268%0.68239%0.39SS*.G310 helixtrans-73.2-7.5-179.830.2-37.7000114.2K77 F78K77-P81 WeakPolarHBondContact O-CD 3.25Å; F78-P81 WeakPolarHBondContact O-CD 3.43Å; F78-P81 WeakPolarHBondContact O-CG 3.45Å
82L96.9Very high94.1Very high24 Ų2474.7 Ų74.713%0.12639%0.391CS..G310 helixtrans-98.4-13.8179.6-53.5176.3000112.1Y37 N38 W42 F78 L79 K80 I84Y37-L82 CarbonylContact C-O 3.6Å; Y37-L82 VanDerWaalsContact CA-O 3.27Å; Y37-L82 WeakPolarHBondContact CA-O 3.35Å; Y37-L82 HydrophobicContact CD1-CB 4.04Å; N38-L82 PolarHBondContact N-O 3.35Å; W42-L82 HydrophobicContact CB-CD1 3.84Å; W42-L82 HydrophobicContact CB-CD2 3.8Å; W42-L82 HydrophobicContact CB-CG 4.5Å; W42-L82 HydrophobicContact CD2-CD1 4.15Å; W42-L82 HydrophobicContact CG-CD1 3.56Å; W42-L82 HydrophobicContact CG-CD2 4.28Å; F78-L82 VanDerWaalsContact O-CD1 3.31Å; F78-L82 WeakPolarHBondContact O-CD1 3.44Å; F78-L82 VanDerWaalsContact O-CG 3.3Å; F78-L82 WeakPolarHBondContact O-CG 3.35Å; L79-L82 WeakPolarHBondContact O-CB 3.19Å; L79-L82 PolarHBondContact O-N 2.65Å; K80-L82 PolarHBondContact O-N 2.87Å; L82-I84 PolarHBondContact O-N 3.46Å
83L97.8Very high94.5Very high76 Ų7673.9 Ų73.940%0.39839%0.392SS..EExtended strand (participates in β ladder)trans-67.9122.3-178.9-179.266000109.1K35 Y37 L79 K80 G85K35-L83 HydrophobicContact CB-CD1 3.69Å; K35-L83 HydrophobicContact CD-CD1 4.19Å; K35-L83 HydrophobicContact CG-CD1 4.17Å; Y37-L83 HydrophobicContact CD1-CB 4.15Å; Y37-L83 HydrophobicContact CD1-CD1 4.34Å; Y37-L83 HydrophobicContact CE1-CB 3.9Å; Y37-L83 HydrophobicContact CE1-CD1 3.88Å; Y37-L83 HydrophobicContact CE1-CG 4.49Å; L79-L83 PolarHBondContact O-N 3.37Å; L79-L83 VanDerWaalsContact O-N 3.17Å; K80-L83 PolarHBondContact O-N 3.28Å; L83-G85 VanDerWaalsContact CD1-O 3.31Å; L83-G85 WeakPolarHBondContact CD1-O 3.47Å
84I97.7Very high94.7Very high49 Ų4966.9 Ų66.925%0.25136%0.362SS..EExtended strand (participates in β ladder)trans-109.8-17.1176.258.8166.6000112.3F14 W29 V36 N38 L82F14-I84 HydrophobicContact CE2-CD1 4.2Å; F14-I84 HydrophobicContact CE2-CG1 4.06Å; F14-I84 HydrophobicContact CZ-CD1 4.06Å; F14-I84 HydrophobicContact CZ-CG1 4.31Å; W29-I84 HydrophobicContact CD2-CD1 3.5Å; W29-I84 VanDerWaalsContact CD2-CD1 3.5Å; W29-I84 VanDerWaalsContact CE2-CD1 3.45Å; W29-I84 HydrophobicContact CE3-CD1 3.61Å; W29-I84 HydrophobicContact CG-CD1 4.2Å; W29-I84 HydrophobicContact CH2-CD1 3.67Å; W29-I84 HydrophobicContact CZ2-CD1 3.55Å; W29-I84 HydrophobicContact CZ3-CD1 3.7Å; V36-I84 HydrophobicContact CB-CG1 4.12Å; V36-I84 HydrophobicContact CG1-CD1 3.84Å; V36-I84 HydrophobicContact CG1-CG1 3.91Å; V36-I84 VanDerWaalsContact O-CG1 3.32Å; V36-I84 WeakPolarHBondContact O-CG1 3.13Å; V36-I84 PolarHBondContact O-N 3.44Å; N38-I84 HydrophobicContact CB-CD1 4.31Å; N38-I84 HydrophobicContact CB-CG2 3.78Å; L82-I84 PolarHBondContact O-N 3.46Å
85G97.6Very high94.8Very high3 Ų362 Ų623%0.03134%0.341CS..EExtended strand (participates in β ladder)trans162.6-152.8176.200000112.5D12 V36 L83D12-G85 CarbonylContact O-C 3.43Å; D12-G85 WeakPolarHBondContact O-CA 3.33Å; V36-G85 PolarHBondContact N-O 3.44Å; L83-G85 VanDerWaalsContact CD1-O 3.31Å; L83-G85 WeakPolarHBondContact CD1-O 3.47Å
86E97.8Very high94.7Very high93 Ų9363.6 Ų63.644%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-138.4160.5-177.162.4-176.6-162.500113.1D12 V13 F14 R34D12-E86 PolarHBondContact O-N 3.39Å; V13-E86 CarbonylContact C-O 3.49Å; V13-E86 WeakPolarHBondContact CA-O 3.44Å; F14-E86 PolarHBondContact N-O 3.2Å; R34-E86 CarbonylContact O-C 3.58Å; R34-E86 WeakPolarHBondContact O-CA 3.2Å
87L97.8Very high94.5Very high4 Ų468.5 Ų68.52%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-69.4135.4174.8-69.5179.2000110.9F14 W16 V19 V31 R34 V36 E91F14-L87 CarbonylContact O-C 3.54Å; F14-L87 WeakPolarHBondContact O-CA 3.37Å; W16-L87 HydrophobicContact CD2-CD1 4.39Å; W16-L87 HydrophobicContact CD2-CD2 4.31Å; W16-L87 HydrophobicContact CH2-CD1 4.23Å; W16-L87 HydrophobicContact CZ2-CD1 3.49Å; W16-L87 VanDerWaalsContact CZ2-CD1 3.49Å; V19-L87 HydrophobicContact CG2-CD2 4.11Å; V31-L87 HydrophobicContact CG1-CD1 3.84Å; V31-L87 HydrophobicContact CG1-CG 4.27Å; V31-L87 HydrophobicContact CG2-CD1 4.28Å; V31-L87 HydrophobicContact CG2-CD2 4.22Å; V31-L87 HydrophobicContact CG2-CG 4.32Å; R34-L87 HydrophobicContact CB-CB 4.47Å; R34-L87 PolarHBondContact NH2-O 3.44Å; R34-L87 VanDerWaalsContact NH2-O 3.13Å; R34-L87 PolarHBondContact O-N 3.49Å; V36-L87 HydrophobicContact CG2-CD2 4.07Å; V36-L87 HydrophobicContact CG2-CG 4.29Å; L87-E91 HydrophobicContact CB-CB 4.42Å
88A96.7Very high94.5Very high19 Ų1962.7 Ų62.716%0.15737%0.365CS..  trans-51.5141.6175.900000111.5V13 F14 R34 T90 E91V13-A88 HydrophobicContact CG1-CB 3.4Å; F14-A88 PolarHBondContact O-N 3.39Å; R34-A88 PolarHBondContact NH2-O 2.96Å; A88-T90 PolarHBondContact O-N 3.01Å; A88-E91 HydrophobicContact CB-CG 3.98Å; A88-E91 WeakPolarHBondContact O-CB 2.91Å; A88-E91 PolarHBondContact O-N 3.38Å
89A94.7Very high94.5Very high104 Ų10462.2 Ų62.286%0.8637%0.366SS*.THydrogen-bonded Turntrans-58.1-23.7-177.700000113.2
90T94.9Very high94.5Very high130 Ų13064.5 Ų64.580%0.79839%0.387SS*.THydrogen-bonded Turntrans-76.3-19.6174.851.60000113.8A88A88-T90 PolarHBondContact O-N 3.01Å
91E95.5Very high94.7Very high48 Ų4859.4 Ų59.422%0.22437%0.374CS..SBendtrans-81.6140.3179.2-63.6-70.2149.500111S15 W16 R34 L87 A88S15-E91 WeakPolarHBondContact CB-OE1 3.44Å; W16-E91 PolarHBondContact N-OE2 3.44Å; R34-E91 PolarHBondContact NH1-O 3.43Å; R34-E91 PolarHBondContact NH2-O 3.03Å; L87-E91 HydrophobicContact CB-CB 4.42Å; A88-E91 HydrophobicContact CB-CG 3.98Å; A88-E91 WeakPolarHBondContact O-CB 2.91Å; A88-E91 PolarHBondContact O-N 3.38Å
92P94.3Very high94.7Very high73 Ų7354.4 Ų54.447%0.47434%0.342SS..  trans-59.6153.417028.1-34.8000110.5W16 Q94W16-P92 PolarHBondContact NE1-O 2.89Å; P92-Q94 WeakPolarHBondContact CG-O 3.26Å; P92-Q94 PolarHBondContact O-N 2.85Å
93S93.1Very high94.7Very high45 Ų4553.6 Ų53.632%0.31534%0.338SS..SBendtrans-66.8-24.7179.8-69.80000113.2R34R34-S93 VanDerWaalsContact CD-OG 3.31Å; R34-S93 WeakPolarHBondContact CD-OG 3.43Å; R34-S93 VanDerWaalsContact NH1-CA 3.3Å; R34-S93 PolarHBondContact NH1-OG 2.85Å
94Q93.8Very high94.6Very high36 Ų3655.3 Ų55.317%0.16834%0.343CS..SBendtrans-114.1148.6-176.6-78.753.151.100109.4W16 D60 P92 K98 I103W16-Q94 VanDerWaalsContact CZ2-C 3.45Å; W16-Q94 PolarHBondContact NE1-O 3.44Å; D60-Q94 PolarHBondContact OD2-NE2 2.83Å; P92-Q94 WeakPolarHBondContact CG-O 3.26Å; P92-Q94 PolarHBondContact O-N 2.85Å; Q94-K98 HydrophobicContact CB-CB 4.13Å; Q94-K98 HydrophobicContact CB-CD 4.19Å; Q94-I103 HydrophobicContact CG-CD1 3.74Å
95D92.4Very high94.7Very high4 Ų454.8 Ų54.82%0.02134%0.341CS..SBendtrans-74.4144.9174.156.3-66.5000112.4W16 D60 K98W16-D95 HydrophobicContact CD2-CB 3.94Å; W16-D95 HydrophobicContact CE3-CB 3.76Å; W16-D95 HydrophobicContact CH2-CB 3.73Å; W16-D95 HydrophobicContact CZ2-CB 3.91Å; W16-D95 HydrophobicContact CZ3-CB 3.66Å; D60-D95 WeakPolarHBondContact CB-OD1 3.45Å; D60-D95 PolarHBondContact N-OD1 2.95Å; D95-K98 VanDerWaalsContact CG-NZ 3.28Å; D95-K98 WeakPolarHBondContact O-CD 3.39Å; D95-K98 VanDerWaalsContact O-CG 3.28Å; D95-K98 WeakPolarHBondContact O-CG 3.45Å; D95-K98 WeakPolarHBondContact OD1-CE 3.33Å; D95-K98 IonicContact OD1-NZ 2.64Å; D95-K98 PolarHBondContact OD1-NZ 3.35Å; D95-K98 WeakPolarHBondContact OD2-CE 3.13Å; D95-K98 IonicContact OD2-NZ 2.81Å; D95-K98 PolarHBondContact OD2-NZ 3.24Å
96G88.8Confident94.7Very high55 Ų5554.7 Ų54.757%0.56734%0.34SS*.THydrogen-bonded Turntrans63-149.2173.700000113.6K98G96-K98 PolarHBondContact O-N 3.49Å
97N87.1Confident94.7Very high173 Ų17353 Ų5393%0.92533%0.332SS*.THydrogen-bonded Turntrans-99.243.5-175.6-64-26.1000111.9
98K92.8Very high94.7Very high27 Ų2756.5 Ų56.512%0.11735%0.354CS..  trans-68.4145.1178.3-73.6176.7175.2177.40110.8Q94 D95 G96 A100 I103 D347Q94-K98 HydrophobicContact CB-CB 4.13Å; Q94-K98 HydrophobicContact CB-CD 4.19Å; D95-K98 VanDerWaalsContact CG-NZ 3.28Å; D95-K98 WeakPolarHBondContact O-CD 3.39Å; D95-K98 VanDerWaalsContact O-CG 3.28Å; D95-K98 WeakPolarHBondContact O-CG 3.45Å; D95-K98 WeakPolarHBondContact OD1-CE 3.33Å; D95-K98 IonicContact OD1-NZ 2.64Å; D95-K98 PolarHBondContact OD1-NZ 3.35Å; D95-K98 WeakPolarHBondContact OD2-CE 3.13Å; D95-K98 IonicContact OD2-NZ 2.81Å; D95-K98 PolarHBondContact OD2-NZ 3.24Å; G96-K98 PolarHBondContact O-N 3.49Å; K98-A100 PolarHBondContact O-N 3.11Å; K98-A100 VanDerWaalsContact O-N 3.11Å; K98-I103 HydrophobicContact CB-CD1 4.32Å; K98-D347 HydrophobicContact CB-CB 4.11Å; K98-D347 HydrophobicContact CG-CB 4.18Å
99N93.4Very high94.8Very high67 Ų6756.6 Ų56.636%0.35835%0.351SS..  trans-78.198.3-179.9-179.8-11.3000110.2A101 I102 I103N99-A101 PolarHBondContact O-N 3.48Å; N99-A101 WeakPolarHBondContact OD1-CB 3.35Å; N99-A101 PolarHBondContact OD1-N 3.3Å; N99-I102 HydrophobicContact CB-CG2 3.68Å; N99-I102 VanDerWaalsContact O-CG2 3.25Å; N99-I102 WeakPolarHBondContact O-CG2 3.49Å; N99-I102 PolarHBondContact OD1-N 3.44Å; N99-I103 WeakPolarHBondContact O-CD1 3.14Å; N99-I103 WeakPolarHBondContact O-CG1 3.2Å; N99-I103 PolarHBondContact O-N 3.01Å
100A93.8Very high94.9Very high61 Ų6152.4 Ų52.450%0.50431%0.313SS..Hα-helixtrans-63.3-28.7179.800000113.3K98 Q104K98-A100 PolarHBondContact O-N 3.11Å; K98-A100 VanDerWaalsContact O-N 3.11Å; A100-Q104 WeakPolarHBondContact O-CB 3.43Å; A100-Q104 PolarHBondContact O-N 3.23Å
101A95.9Very high95Very high52 Ų5250.7 Ų50.743%0.4330%0.303SS..Hα-helixtrans-69-44.8-178.100000111.8N99 I103 Q104 D105N99-A101 PolarHBondContact O-N 3.48Å; N99-A101 WeakPolarHBondContact OD1-CB 3.35Å; N99-A101 PolarHBondContact OD1-N 3.3Å; A101-I103 VanDerWaalsContact C-N 3.35Å; A101-Q104 PolarHBondContact O-N 3.1Å; A101-D105 WeakPolarHBondContact O-CB 3.42Å; A101-D105 PolarHBondContact O-N 2.64Å
102I96.8Very high95.1Very high0 Ų052 Ų520%031%0.309CS..Hα-helixtrans-67.2-37.6176.4-172.1169.4000111.9N99 D105 F106 V349 L353 H403 I405N99-I102 HydrophobicContact CB-CG2 3.68Å; N99-I102 VanDerWaalsContact O-CG2 3.25Å; N99-I102 WeakPolarHBondContact O-CG2 3.49Å; N99-I102 PolarHBondContact OD1-N 3.44Å; I102-D105 PolarHBondContact O-N 3.41Å; I102-F106 WeakPolarHBondContact O-CB 3.46Å; I102-F106 PolarHBondContact O-N 2.9Å; I102-V349 HydrophobicContact CD1-CB 4.38Å; I102-V349 HydrophobicContact CD1-CG1 3.92Å; I102-V349 HydrophobicContact CG1-CB 4.42Å; I102-V349 HydrophobicContact CG1-CG1 4.08Å; I102-L353 HydrophobicContact CD1-CD1 4.49Å; I102-H403 HydrophobicContact CD1-CB 4.17Å; I102-H403 PolarHBondContact N-CE1 3.44Å; I102-I405 HydrophobicContact CD1-CD1 3.25Å
103I96.1Very high95.3Very high7 Ų748.5 Ų48.54%0.03629%0.286CS..Hα-helixtrans-59-51.3176.2-67.7166.4000109.6E63 Q94 K98 N99 A101 D105 F106 E107 D347E63-I103 HydrophobicContact CG-CG2 4.31Å; E63-I103 WeakPolarHBondContact OE1-CD1 3.47Å; E63-I103 WeakPolarHBondContact OE1-CG1 3.12Å; E63-I103 WeakPolarHBondContact OE1-CG2 3.35Å; Q94-I103 HydrophobicContact CG-CD1 3.74Å; K98-I103 HydrophobicContact CB-CD1 4.32Å; N99-I103 WeakPolarHBondContact O-CD1 3.14Å; N99-I103 WeakPolarHBondContact O-CG1 3.2Å; N99-I103 PolarHBondContact O-N 3.01Å; A101-I103 VanDerWaalsContact C-N 3.35Å; I103-D105 PolarHBondContact O-N 2.79Å; I103-F106 PolarHBondContact O-N 3.32Å; I103-E107 WeakPolarHBondContact O-CG 3.34Å; I103-E107 PolarHBondContact O-N 3.12Å; I103-D347 HydrophobicContact CD1-CB 3.82Å; I103-D347 HydrophobicContact CG1-CB 4Å
104Q96.8Very high95.4Very high111 Ų11152.2 Ų52.252%0.51930%0.299SS..Hα-helixtrans-63.9-42.4-179.3-174.66158.700112.8A100 A101 F106 E107 T108A100-Q104 WeakPolarHBondContact O-CB 3.43Å; A100-Q104 PolarHBondContact O-N 3.23Å; A101-Q104 PolarHBondContact O-N 3.1Å; Q104-F106 VanDerWaalsContact C-N 3.33Å; Q104-E107 PolarHBondContact O-N 3.25Å; Q104-T108 PolarHBondContact O-N 3.45Å; Q104-T108 PolarHBondContact O-OG1 3.19Å
105D98.1Very high95.6Very high39 Ų3958.4 Ų58.421%0.20933%0.325CS..Hα-helixtrans-65.4-39.5176.9-75.8-30.9000111.4A101 I102 I103 T108 L109 L399 K402 H403A101-D105 WeakPolarHBondContact O-CB 3.42Å; A101-D105 PolarHBondContact O-N 2.64Å; I102-D105 PolarHBondContact O-N 3.41Å; I103-D105 PolarHBondContact O-N 2.79Å; D105-T108 WeakPolarHBondContact O-CB 3.37Å; D105-T108 PolarHBondContact O-N 3.19Å; D105-L109 PolarHBondContact O-N 2.86Å; D105-L399 HydrophobicContact CB-CD1 3.48Å; D105-L399 VanDerWaalsContact CB-CD1 3.48Å; D105-K402 IonicContact OD1-NZ 2.91Å; D105-K402 PolarHBondContact OD1-NZ 3.5Å; D105-K402 WeakPolarHBondContact OD2-CD 3.18Å; D105-K402 WeakPolarHBondContact OD2-CE 3.25Å; D105-K402 IonicContact OD2-NZ 2.69Å; D105-K402 PolarHBondContact OD2-NZ 3.5Å; D105-H403 IonicContact OD2-CD2 3.91Å; D105-H403 IonicContact OD2-CE1 3.36Å; D105-H403 PolarHBondContact OD2-CE1 2.99Å; D105-H403 IonicContact OD2-NE2 2.72Å; D105-H403 PolarHBondContact OD2-NE2 2.86Å
106F98.3Very high95.9Very high0 Ų062.3 Ų62.30%035%0.346CS..Hα-helixtrans-68.1-38.6176.5179.1-114.2000112.4I102 I103 Q104 T108 L109 R110 W348 V349 L380 F381 L399I102-F106 WeakPolarHBondContact O-CB 3.46Å; I102-F106 PolarHBondContact O-N 2.9Å; I103-F106 PolarHBondContact O-N 3.32Å; Q104-F106 VanDerWaalsContact C-N 3.33Å; F106-T108 VanDerWaalsContact C-N 3.29Å; F106-T108 PolarHBondContact O-N 3.15Å; F106-L109 PolarHBondContact O-N 2.73Å; F106-R110 WeakPolarHBondContact O-CB 3.48Å; F106-R110 PolarHBondContact O-N 3.4Å; F106-W348 HydrophobicContact CE1-CE3 4.17Å; F106-W348 AromaticContact CE1-CZ3 3.66Å; F106-W348 HydrophobicContact CE1-CZ3 3.66Å; F106-W348 AromaticContact CZ-CZ3 3.9Å; F106-W348 HydrophobicContact CZ-CZ3 3.9Å; F106-V349 HydrophobicContact CB-CG1 4.31Å; F106-V349 HydrophobicContact CB-CG2 3.86Å; F106-V349 HydrophobicContact CD1-CG2 3.3Å; F106-V349 HydrophobicContact CD2-CG1 4.26Å; F106-V349 HydrophobicContact CD2-CG2 4.46Å; F106-V349 HydrophobicContact CE1-CG2 3.88Å; F106-V349 HydrophobicContact CG-CG1 4.11Å; F106-V349 HydrophobicContact CG-CG2 3.63Å; F106-L380 HydrophobicContact CE2-CB 3.9Å; F106-L380 HydrophobicContact CE2-CD1 4.14Å; F106-L380 HydrophobicContact CE2-CD2 4.08Å; F106-L380 HydrophobicContact CE2-CG 4.27Å; F106-L380 HydrophobicContact CZ-CB 3.94Å; F106-L380 HydrophobicContact CZ-CD2 4.06Å; F106-L380 HydrophobicContact CZ-CG 4.49Å; F106-F381 HydrophobicContact CD2-CZ 4.34Å; F106-F381 AromaticContact CE2-CE1 3.69Å; F106-F381 HydrophobicContact CE2-CE1 3.69Å; F106-F381 HydrophobicContact CE2-CE2 4.18Å; F106-F381 AromaticContact CE2-CZ 3.46Å; F106-F381 HydrophobicContact CE2-CZ 3.46Å; F106-F381 VanDerWaalsContact CE2-CZ 3.46Å; F106-F381 HydrophobicContact CZ-CD1 4.44Å; F106-F381 AromaticContact CZ-CE1 3.89Å; F106-F381 HydrophobicContact CZ-CE1 3.89Å; F106-F381 HydrophobicContact CZ-CZ 4.12Å; F106-L399 HydrophobicContact CB-CD2 4.04Å; F106-L399 HydrophobicContact CD2-CD2 3.87Å; F106-L399 HydrophobicContact CG-CD2 4.42Å
107E96.9Very high96.3Very high58 Ų5860.4 Ų60.427%0.27133%0.326SS..Hα-helixtrans-62.1-39.4171.6-75.1-171.5162.500111.9I103 Q104 R110 T111I103-E107 WeakPolarHBondContact O-CG 3.34Å; I103-E107 PolarHBondContact O-N 3.12Å; Q104-E107 PolarHBondContact O-N 3.25Å; E107-R110 PolarHBondContact O-N 3.23Å; E107-T111 WeakPolarHBondContact O-CB 3.5Å; E107-T111 PolarHBondContact O-N 2.98Å; E107-T111 PolarHBondContact O-OG1 2.91Å
108T98.2Very high96.8Very high78 Ų7853.1 Ų53.148%0.47929%0.287SS..Hα-helixtrans-62.5-47.8174.3-55.80000110.5Q104 D105 F106 R110 T111 Q112Q104-T108 PolarHBondContact O-N 3.45Å; Q104-T108 PolarHBondContact O-OG1 3.19Å; D105-T108 WeakPolarHBondContact O-CB 3.37Å; D105-T108 PolarHBondContact O-N 3.19Å; F106-T108 VanDerWaalsContact C-N 3.29Å; F106-T108 PolarHBondContact O-N 3.15Å; T108-R110 PolarHBondContact O-N 3.3Å; T108-T111 PolarHBondContact O-N 3.42Å; T108-Q112 WeakPolarHBondContact O-CB 3.49Å; T108-Q112 PolarHBondContact O-N 3.23Å
109L98.4Very high97Very high20 Ų2053.9 Ų53.911%0.10529%0.29CS..Hα-helixtrans-58.9-47.6175.3175.658.8000111.5D105 F106 T111 Q112 V113 F381 Q395 V396 L399D105-L109 PolarHBondContact O-N 2.86Å; F106-L109 PolarHBondContact O-N 2.73Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 2.86Å; L109-Q112 WeakPolarHBondContact O-CB 3.36Å; L109-Q112 PolarHBondContact O-N 3.29Å; L109-Q112 VanDerWaalsContact O-N 3.15Å; L109-V113 HydrophobicContact CD1-CG1 3.85Å; L109-V113 HydrophobicContact CG-CG1 4.47Å; L109-V113 WeakPolarHBondContact O-CG1 3.32Å; L109-V113 WeakPolarHBondContact O-CG2 3.49Å; L109-V113 PolarHBondContact O-N 3.28Å; L109-F381 HydrophobicContact CD2-CZ 4.12Å; L109-F381 HydrophobicContact CG-CZ 4.21Å; L109-Q395 HydrophobicContact CD1-CB 3.56Å; L109-Q395 HydrophobicContact CD1-CG 4.31Å; L109-Q395 HydrophobicContact CD2-CB 4.43Å; L109-V396 HydrophobicContact CD2-CG2 4.15Å; L109-L399 HydrophobicContact CD2-CD2 4.17Å
110R97.8Very high97.1Very high16 Ų1657.8 Ų57.86%0.0630%0.304CS..Hα-helixtrans-57.1-45.6178.1-179.6179.6-74.5164.1-12.2111.5T66 F106 E107 T108 Q112 V113 E114 F381T66-R110 VanDerWaalsContact CG2-NH1 3.28Å; F106-R110 WeakPolarHBondContact O-CB 3.48Å; F106-R110 PolarHBondContact O-N 3.4Å; E107-R110 PolarHBondContact O-N 3.23Å; T108-R110 PolarHBondContact O-N 3.3Å; R110-Q112 VanDerWaalsContact C-N 3.33Å; R110-V113 VanDerWaalsContact O-CG2 3.29Å; R110-V113 WeakPolarHBondContact O-CG2 3.48Å; R110-V113 PolarHBondContact O-N 3.17Å; R110-E114 WeakPolarHBondContact O-CB 3.4Å; R110-E114 PolarHBondContact O-N 3.25Å; R110-F381 HydrophobicContact CB-CE1 4.17Å; R110-F381 HydrophobicContact CG-CE1 4.41Å
111T96.9Very high97.3Very high94 Ų9456.1 Ų56.158%0.57729%0.29SS*.Hα-helixtrans-62.7-42.3177.8-57.90000111.1E107 T108 L109 E114 K115E107-T111 WeakPolarHBondContact O-CB 3.5Å; E107-T111 PolarHBondContact O-N 2.98Å; E107-T111 PolarHBondContact O-OG1 2.91Å; T108-T111 PolarHBondContact O-N 3.42Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 2.86Å; T111-E114 PolarHBondContact O-N 3.08Å; T111-K115 WeakPolarHBondContact O-CB 3.37Å; T111-K115 PolarHBondContact O-N 3.47Å
112Q98.1Very high97.4Very high75 Ų7559.7 Ų59.735%0.3530%0.296SS..Hα-helixtrans-63.2-49.8177.9-177.654.548.700111.6T108 L109 R110 E114 K115 D116T108-Q112 WeakPolarHBondContact O-CB 3.49Å; T108-Q112 PolarHBondContact O-N 3.23Å; L109-Q112 WeakPolarHBondContact O-CB 3.36Å; L109-Q112 PolarHBondContact O-N 3.29Å; L109-Q112 VanDerWaalsContact O-N 3.15Å; R110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-E114 VanDerWaalsContact C-N 3.27Å; Q112-E114 PolarHBondContact O-N 3.45Å; Q112-K115 WeakPolarHBondContact O-CB 3.3Å; Q112-K115 PolarHBondContact O-N 3.21Å; Q112-K115 VanDerWaalsContact O-N 3.1Å; Q112-D116 PolarHBondContact NE2-OD1 3Å; Q112-D116 PolarHBondContact NE2-OD2 3.06Å; Q112-D116 VanDerWaalsContact O-CG 3.25Å; Q112-D116 PolarHBondContact O-N 2.94Å
113V97.8Very high97.3Very high0 Ų064.2 Ų64.20%033%0.325CS..Hα-helixtrans-69.2-26-179.1-58.30000113L109 R110 G117 L118 F119 F381 M384 V392L109-V113 HydrophobicContact CD1-CG1 3.85Å; L109-V113 HydrophobicContact CG-CG1 4.47Å; L109-V113 WeakPolarHBondContact O-CG1 3.32Å; L109-V113 WeakPolarHBondContact O-CG2 3.49Å; L109-V113 PolarHBondContact O-N 3.28Å; R110-V113 VanDerWaalsContact O-CG2 3.29Å; R110-V113 WeakPolarHBondContact O-CG2 3.48Å; R110-V113 PolarHBondContact O-N 3.17Å; V113-G117 PolarHBondContact O-N 3.19Å; V113-L118 HydrophobicContact CB-CB 4.32Å; V113-L118 HydrophobicContact CB-CD1 4.01Å; V113-L118 HydrophobicContact CB-CG 4.29Å; V113-L118 HydrophobicContact CG1-CD1 4.09Å; V113-L118 WeakPolarHBondContact O-CB 3.44Å; V113-L118 PolarHBondContact O-N 2.93Å; V113-F119 HydrophobicContact CG2-CE2 3.87Å; V113-F381 HydrophobicContact CG2-CE1 4.14Å; V113-F381 HydrophobicContact CG2-CZ 4.5Å; V113-M384 HydrophobicContact CB-CE 4.41Å; V113-M384 HydrophobicContact CG2-CE 4.13Å; V113-V392 HydrophobicContact CG1-CB 4.5Å; V113-V392 HydrophobicContact CG1-CG2 3.73Å
114E95.9Very high97.4Very high123 Ų12369.8 Ų69.858%0.57535%0.354SS*.Hα-helixtrans-67.7-44.3169.3-174.5168-169.800111.8R110 T111 Q112 D116 G117 F119R110-E114 WeakPolarHBondContact O-CB 3.4Å; R110-E114 PolarHBondContact O-N 3.25Å; T111-E114 PolarHBondContact O-N 3.08Å; Q112-E114 VanDerWaalsContact C-N 3.27Å; Q112-E114 PolarHBondContact O-N 3.45Å; E114-D116 VanDerWaalsContact C-N 3.31Å; E114-D116 PolarHBondContact O-N 3.38Å; E114-G117 WeakPolarHBondContact O-CA 3.29Å; E114-G117 PolarHBondContact O-N 2.74Å; E114-F119 HydrophobicContact CB-CD2 4.01Å; E114-F119 HydrophobicContact CB-CE2 4.18Å; E114-F119 HydrophobicContact CG-CD2 4.35Å
115K97.4Very high97.5Very high167 Ų16766.7 Ų66.773%0.72634%0.339SS*.Hα-helixtrans-61.1-39.8174.1-176.2-177.5175-174.40112T111 Q112 G117T111-K115 WeakPolarHBondContact O-CB 3.37Å; T111-K115 PolarHBondContact O-N 3.47Å; Q112-K115 WeakPolarHBondContact O-CB 3.3Å; Q112-K115 PolarHBondContact O-N 3.21Å; Q112-K115 VanDerWaalsContact O-N 3.1Å; K115-G117 PolarHBondContact O-N 2.72Å
116D97.6Very high97.5Very high86 Ų8665.1 Ų65.146%0.4633%0.331SS..THydrogen-bonded Turntrans-71-7.5176.6-63-25.2000112.8Q112 E114 L118Q112-D116 PolarHBondContact NE2-OD1 3Å; Q112-D116 PolarHBondContact NE2-OD2 3.06Å; Q112-D116 VanDerWaalsContact O-CG 3.25Å; Q112-D116 PolarHBondContact O-N 2.94Å; E114-D116 VanDerWaalsContact C-N 3.31Å; E114-D116 PolarHBondContact O-N 3.38Å; D116-L118 HydrophobicContact CB-CG 4.32Å
117G97.4Very high97.5Very high14 Ų1468.4 Ų68.414%0.14435%0.353CS..THydrogen-bonded Turntrans78.319175.300000113.7V113 E114 K115 F119 K120V113-G117 PolarHBondContact O-N 3.19Å; E114-G117 WeakPolarHBondContact O-CA 3.29Å; E114-G117 PolarHBondContact O-N 2.74Å; K115-G117 PolarHBondContact O-N 2.72Å; G117-F119 PolarHBondContact O-N 2.92Å; G117-K120 VanDerWaalsContact O-CB 3.27Å; G117-K120 WeakPolarHBondContact O-CB 3.35Å; G117-K120 PolarHBondContact O-N 3.15Å
118L98.1Very high97.5Very high21 Ų2170.8 Ų70.811%0.1137%0.367CS..THydrogen-bonded Turntrans-66.7-17.9-179.5-60.1-164.5000113V113 D116 K120 M384 P385 N388 L391 V392V113-L118 HydrophobicContact CB-CB 4.32Å; V113-L118 HydrophobicContact CB-CD1 4.01Å; V113-L118 HydrophobicContact CB-CG 4.29Å; V113-L118 HydrophobicContact CG1-CD1 4.09Å; V113-L118 WeakPolarHBondContact O-CB 3.44Å; V113-L118 PolarHBondContact O-N 2.93Å; D116-L118 HydrophobicContact CB-CG 4.32Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.05Å; L118-M384 HydrophobicContact CB-CE 3.84Å; L118-M384 HydrophobicContact CB-SD 4.24Å; L118-M384 HydrophobicContact CD1-CE 4.43Å; L118-M384 WeakPolarHBondContact O-CG 3.47Å; L118-P385 WeakPolarHBondContact O-CD 3.37Å; L118-N388 HydrophobicContact CB-CB 4.37Å; L118-N388 PolarHBondContact O-ND2 3.08Å; L118-L391 HydrophobicContact CD1-CB 4.12Å; L118-L391 HydrophobicContact CD2-CB 4.29Å; L118-L391 HydrophobicContact CD2-CD1 3.85Å; L118-V392 HydrophobicContact CD1-CB 4.04Å
119F96.9Very high97.5Very high42 Ų4268.2 Ų68.218%0.18435%0.35CS..THydrogen-bonded Turntrans-80.3-1.5170-71.1-83.2000114.2V113 E114 G117 F381 R383 M384V113-F119 HydrophobicContact CG2-CE2 3.87Å; E114-F119 HydrophobicContact CB-CD2 4.01Å; E114-F119 HydrophobicContact CB-CE2 4.18Å; E114-F119 HydrophobicContact CG-CD2 4.35Å; G117-F119 PolarHBondContact O-N 2.92Å; F119-F381 HydrophobicContact CE1-CB 4.39Å; F119-F381 HydrophobicContact CZ-CB 4.34Å; F119-F381 AromaticContact CZ-CD1 3.92Å; F119-F381 HydrophobicContact CZ-CD1 3.92Å; F119-R383 HydrophobicContact CD1-CB 4.33Å; F119-R383 HydrophobicContact CE1-CB 4.29Å; F119-M384 HydrophobicContact CD1-CB 4.03Å; F119-M384 HydrophobicContact CE1-CB 3.94Å; F119-M384 HydrophobicContact CZ-CE 4.46Å
120K96.6Very high97.5Very high150 Ų15069.4 Ų69.465%0.65236%0.355SS*.  trans-88.2116.3178.5-63.3175-176.8165.40110.3G117 L118G117-K120 VanDerWaalsContact O-CB 3.27Å; G117-K120 WeakPolarHBondContact O-CB 3.35Å; G117-K120 PolarHBondContact O-N 3.15Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.05Å
121A97.4Very high97.5Very high25 Ų2572.7 Ų72.721%0.20738%0.377CS..  trans-68.6138.9173.900000112.3P123 F126 V180 P385A121-P123 WeakPolarHBondContact O-CD 3.49Å; A121-F126 HydrophobicContact CB-CD2 4.35Å; A121-F126 HydrophobicContact CB-CE2 3.76Å; A121-V180 HydrophobicContact CB-CG1 4.41Å; A121-V180 WeakPolarHBondContact CB-O 3.28Å; A121-P385 HydrophobicContact CB-CB 4.23Å; A121-P385 HydrophobicContact CB-CG 3.84Å
122K97.4Very high97.6Very high128 Ų12870.9 Ų70.956%0.55736%0.362SS*.  trans-87.1107.2165.1-66.1175.6-174.9174.10109.5L124 F125 F126 H387K122-L124 VanDerWaalsContact C-N 3.28Å; K122-L124 PolarHBondContact O-N 3.43Å; K122-F125 HydrophobicContact CB-CB 4.38Å; K122-F125 WeakPolarHBondContact O-CB 3.42Å; K122-F125 PolarHBondContact O-N 3.21Å; K122-F125 VanDerWaalsContact O-N 3.14Å; K122-F126 WeakPolarHBondContact O-CD2 3.41Å; K122-H387 WeakPolarHBondContact CG-NE2 3.25Å; K122-H387 PolarHBondContact N-CE1 2.89Å; K122-H387 VanDerWaalsContact N-CE1 3.32Å; K122-H387 PolarHBondContact N-NE2 3.49Å
123P95.9Very high97.6Very high94 Ų9467.3 Ų67.361%0.6135%0.346SS*.Hα-helixtrans-59-37.9-173.6-26.336.3000113.5A121 F125 F126 C127A121-P123 WeakPolarHBondContact O-CD 3.49Å; P123-F125 VanDerWaalsContact C-N 3.25Å; P123-F125 PolarHBondContact O-N 2.91Å; P123-F126 PolarHBondContact O-N 3.45Å; P123-F126 VanDerWaalsContact O-N 3.12Å; P123-C127 PolarHBondContact O-N 2.88Å; P123-C127 PolarHBondContact O-SG 2.79Å; P123-C127 VanDerWaalsContact O-SG 3.34Å
124L97.5Very high97.7Very high124 Ų12470.7 Ų70.765%0.64936%0.364SS*.Hα-helixtrans-55.8-39.6179.3-178.361000112.4K122 F126 C127 L128K122-L124 VanDerWaalsContact C-N 3.28Å; K122-L124 PolarHBondContact O-N 3.43Å; L124-F126 PolarHBondContact O-N 3.44Å; L124-C127 PolarHBondContact O-N 3.12Å; L124-L128 HydrophobicContact CD1-CD1 4.24Å; L124-L128 HydrophobicContact CD1-CG 4.08Å; L124-L128 HydrophobicContact CG-CD1 4.04Å; L124-L128 HydrophobicContact CG-CG 4.33Å; L124-L128 WeakPolarHBondContact O-CB 3.5Å; L124-L128 VanDerWaalsContact O-CG 3.24Å; L124-L128 WeakPolarHBondContact O-CG 3.42Å; L124-L128 PolarHBondContact O-N 3.42Å
125F98Very high97.8Very high46 Ų4669.2 Ų69.220%0.20236%0.359CS..Hα-helixtrans-58.6-48.2177.7174.7-94.2000111.6K122 P123 L128 H129 H371 R386 H387K122-F125 HydrophobicContact CB-CB 4.38Å; K122-F125 WeakPolarHBondContact O-CB 3.42Å; K122-F125 PolarHBondContact O-N 3.21Å; K122-F125 VanDerWaalsContact O-N 3.14Å; P123-F125 VanDerWaalsContact C-N 3.25Å; P123-F125 PolarHBondContact O-N 2.91Å; F125-L128 PolarHBondContact O-N 2.93Å; F125-H129 AromaticContact CD1-CD2 4Å; F125-H129 AromaticContact CE1-CD2 3.66Å; F125-H129 AromaticContact CE1-NE2 3.79Å; F125-H129 AromaticContact CE2-CD2 3.98Å; F125-H129 AromaticContact CE2-NE2 3.52Å; F125-H129 AromaticContact CZ-CD2 3.65Å; F125-H129 AromaticContact CZ-NE2 3.27Å; F125-H129 VanDerWaalsContact CZ-NE2 3.27Å; F125-H129 WeakPolarHBondContact CZ-NE2 3.5Å; F125-H129 PolarHBondContact O-CD2 3.18Å; F125-H129 VanDerWaalsContact O-CD2 3.25Å; F125-H129 PolarHBondContact O-N 3.35Å; F125-H371 AromaticContact CZ-CE1 3.97Å; F125-R386 HydrophobicContact CE1-CG 3.83Å; F125-R386 HydrophobicContact CZ-CG 4.09Å; F125-H387 HydrophobicContact CD1-CB 4.23Å; F125-H387 AromaticContact CD1-ND1 3.67Å; F125-H387 HydrophobicContact CD2-CB 4.01Å; F125-H387 HydrophobicContact CE1-CB 4.06Å; F125-H387 HydrophobicContact CE2-CB 3.83Å; F125-H387 HydrophobicContact CG-CB 4.2Å; F125-H387 HydrophobicContact CZ-CB 3.85Å
126F98.2Very high97.8Very high7 Ų762.4 Ų62.43%0.03133%0.331CS..Hα-helixtrans-72.8-35.5-180-63.5-74.4000112.6A121 K122 P123 L124 H129 L130 L171 D174 V180 P385 H387A121-F126 HydrophobicContact CB-CD2 4.35Å; A121-F126 HydrophobicContact CB-CE2 3.76Å; K122-F126 WeakPolarHBondContact O-CD2 3.41Å; P123-F126 PolarHBondContact O-N 3.45Å; P123-F126 VanDerWaalsContact O-N 3.12Å; L124-F126 PolarHBondContact O-N 3.44Å; F126-H129 PolarHBondContact O-N 2.68Å; F126-L130 PolarHBondContact O-N 3.46Å; F126-L171 HydrophobicContact CB-CD1 4.42Å; F126-L171 HydrophobicContact CD1-CD1 3.83Å; F126-D174 HydrophobicContact CD1-CB 4.43Å; F126-D174 HydrophobicContact CE1-CB 3.74Å; F126-D174 HydrophobicContact CZ-CB 4.5Å; F126-V180 HydrophobicContact CB-CG1 4.27Å; F126-V180 HydrophobicContact CD1-CG1 4.47Å; F126-V180 HydrophobicContact CD1-CG2 3.91Å; F126-V180 HydrophobicContact CD2-CB 4.5Å; F126-V180 HydrophobicContact CD2-CG1 3.64Å; F126-V180 HydrophobicContact CD2-CG2 4.22Å; F126-V180 HydrophobicContact CE1-CG2 3.77Å; F126-V180 HydrophobicContact CE2-CG1 4.07Å; F126-V180 HydrophobicContact CE2-CG2 4.07Å; F126-V180 HydrophobicContact CG-CG1 3.86Å; F126-V180 HydrophobicContact CG-CG2 4.14Å; F126-V180 HydrophobicContact CZ-CG2 3.83Å; F126-P385 HydrophobicContact CE2-CB 4.2Å; F126-P385 HydrophobicContact CZ-CB 3.96Å; F126-H387 AromaticContact CE2-CE1 3.77Å; F126-H387 AromaticContact CE2-ND1 3.87Å; F126-H387 AromaticContact CZ-ND1 3.93Å
127C97.8Very high97.9Very high68 Ų6859.4 Ų59.446%0.45931%0.314SS..Hα-helixtrans-61.4-45173-69.90000111.4P123 L124 H129 L130 T131P123-C127 PolarHBondContact O-N 2.88Å; P123-C127 PolarHBondContact O-SG 2.79Å; P123-C127 VanDerWaalsContact O-SG 3.34Å; L124-C127 PolarHBondContact O-N 3.12Å; C127-H129 VanDerWaalsContact C-N 3.34Å; C127-H129 PolarHBondContact O-N 2.61Å; C127-L130 PolarHBondContact O-N 3.4Å; C127-T131 WeakPolarHBondContact O-CB 3.38Å; C127-T131 PolarHBondContact O-N 2.9Å; C127-T131 PolarHBondContact O-OG1 3.1Å; C127-T131 VanDerWaalsContact O-OG1 3.06Å
128L98.2Very high97.9Very high108 Ų10860.9 Ų60.957%0.56532%0.324SS*.Hα-helixtrans-61.9-40.7177.3-71.5171.9000112L124 F125 T131 H132L124-L128 HydrophobicContact CD1-CD1 4.24Å; L124-L128 HydrophobicContact CD1-CG 4.08Å; L124-L128 HydrophobicContact CG-CD1 4.04Å; L124-L128 HydrophobicContact CG-CG 4.33Å; L124-L128 WeakPolarHBondContact O-CB 3.5Å; L124-L128 VanDerWaalsContact O-CG 3.24Å; L124-L128 WeakPolarHBondContact O-CG 3.42Å; L124-L128 PolarHBondContact O-N 3.42Å; F125-L128 PolarHBondContact O-N 2.93Å; L128-T131 PolarHBondContact O-N 3.2Å; L128-H132 WeakPolarHBondContact O-CB 3.42Å; L128-H132 PolarHBondContact O-N 2.98Å
129H98.1Very high98Very high25 Ų2563.3 Ų63.312%0.11634%0.337CS..Hα-helixtrans-65.4-41.3174.4-81.3-67.9000112.7F125 F126 C127 H132 I133 L171 R386F125-H129 AromaticContact CD1-CD2 4Å; F125-H129 AromaticContact CE1-CD2 3.66Å; F125-H129 AromaticContact CE1-NE2 3.79Å; F125-H129 AromaticContact CE2-CD2 3.98Å; F125-H129 AromaticContact CE2-NE2 3.52Å; F125-H129 AromaticContact CZ-CD2 3.65Å; F125-H129 AromaticContact CZ-NE2 3.27Å; F125-H129 VanDerWaalsContact CZ-NE2 3.27Å; F125-H129 WeakPolarHBondContact CZ-NE2 3.5Å; F125-H129 PolarHBondContact O-CD2 3.18Å; F125-H129 VanDerWaalsContact O-CD2 3.25Å; F125-H129 PolarHBondContact O-N 3.35Å; F126-H129 PolarHBondContact O-N 2.68Å; C127-H129 VanDerWaalsContact C-N 3.34Å; C127-H129 PolarHBondContact O-N 2.61Å; H129-H132 WeakPolarHBondContact O-CB 3.29Å; H129-H132 PolarHBondContact O-N 3.3Å; H129-I133 WeakPolarHBondContact O-CD1 3.46Å; H129-I133 VanDerWaalsContact O-CG1 3.28Å; H129-I133 WeakPolarHBondContact O-CG1 3.28Å; H129-I133 PolarHBondContact O-N 3.47Å; H129-L171 HydrophobicContact CB-CD1 4.45Å; H129-R386 PolarHBondContact CD2-NH2 3.03Å; H129-R386 PolarHBondContact CE1-NH2 3.29Å; H129-R386 PolarHBondContact ND1-NH2 3.46Å; H129-R386 PolarHBondContact NE2-NH2 3.43Å
130L98.4Very high98Very high44 Ų4461.3 Ų61.323%0.2333%0.328CS..Hα-helixtrans-63.4-44.5174.9-178.858.9000111.4F126 C127 H132 I133 L134 L171 F193 L198F126-L130 PolarHBondContact O-N 3.46Å; C127-L130 PolarHBondContact O-N 3.4Å; L130-H132 VanDerWaalsContact C-N 3.33Å; L130-H132 PolarHBondContact O-N 3.32Å; L130-I133 PolarHBondContact O-N 2.99Å; L130-L134 HydrophobicContact CD1-CD1 4.31Å; L130-L134 HydrophobicContact CD1-CG 4.31Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 3.45Å; L130-L171 HydrophobicContact CB-CD2 3.89Å; L130-L171 HydrophobicContact CD1-CD2 4.06Å; L130-F193 HydrophobicContact CD1-CE1 4.34Å; L130-L198 HydrophobicContact CD1-CD1 4Å
131T98.5Very high98.1Very high85 Ų8558.2 Ų58.252%0.52131%0.313SS..Hα-helixtrans-60.4-42.7175.3-62.70000111.3C127 L128 I133 L134 L135C127-T131 WeakPolarHBondContact O-CB 3.38Å; C127-T131 PolarHBondContact O-N 2.9Å; C127-T131 PolarHBondContact O-OG1 3.1Å; C127-T131 VanDerWaalsContact O-OG1 3.06Å; L128-T131 PolarHBondContact O-N 3.2Å; T131-I133 PolarHBondContact O-N 3.39Å; T131-L134 PolarHBondContact O-N 3.19Å; T131-L135 WeakPolarHBondContact O-CB 3.3Å; T131-L135 PolarHBondContact O-N 2.93Å
132H98.3Very high98.2Very high56 Ų5661 Ų6126%0.25932%0.322SS..Hα-helixtrans-58.2-45.9175.7173.4-128.5000112.1L128 H129 L130 L135 L136 W367L128-H132 WeakPolarHBondContact O-CB 3.42Å; L128-H132 PolarHBondContact O-N 2.98Å; H129-H132 WeakPolarHBondContact O-CB 3.29Å; H129-H132 PolarHBondContact O-N 3.3Å; L130-H132 VanDerWaalsContact C-N 3.33Å; L130-H132 PolarHBondContact O-N 3.32Å; H132-L135 PolarHBondContact O-N 3.02Å; H132-L136 WeakPolarHBondContact NE2-CD1 3.34Å; H132-L136 WeakPolarHBondContact O-CG 3.37Å; H132-L136 PolarHBondContact O-N 3.02Å; H132-W367 AromaticContact CE1-NE1 3.59Å
133I98.6Very high98.2Very high0 Ų055.9 Ų55.90%030%0.301CS..Hα-helixtrans-60.3-51.2177.1-68.9159.9000110.9H129 L130 T131 L135 L136 E137 S164 Q167 A168 L171 L198H129-I133 WeakPolarHBondContact O-CD1 3.46Å; H129-I133 VanDerWaalsContact O-CG1 3.28Å; H129-I133 WeakPolarHBondContact O-CG1 3.28Å; H129-I133 PolarHBondContact O-N 3.47Å; L130-I133 PolarHBondContact O-N 2.99Å; T131-I133 PolarHBondContact O-N 3.39Å; I133-L135 VanDerWaalsContact C-N 3.34Å; I133-L135 PolarHBondContact O-N 2.9Å; I133-L136 PolarHBondContact O-N 3.01Å; I133-E137 PolarHBondContact O-N 3.48Å; I133-E137 VanDerWaalsContact O-N 3.11Å; I133-S164 VanDerWaalsContact CG2-OG 3.28Å; I133-S164 WeakPolarHBondContact CG2-OG 3.17Å; I133-S164 PolarHBondContact O-OG 3.1Å; I133-S164 VanDerWaalsContact O-OG 3.06Å; I133-Q167 HydrophobicContact CD1-CB 4.22Å; I133-Q167 HydrophobicContact CG1-CB 3.79Å; I133-A168 HydrophobicContact CD1-CB 4.16Å; I133-A168 HydrophobicContact CG2-CB 4.24Å; I133-L171 HydrophobicContact CD1-CB 4.01Å; I133-L171 HydrophobicContact CD1-CD2 3.62Å; I133-L171 HydrophobicContact CD1-CG 4.46Å; I133-L198 HydrophobicContact CG2-CD1 3.95Å
134L98.6Very high98.3Very high72 Ų7251.4 Ų51.438%0.37727%0.272SS..Hα-helixtrans-65.4-38-178.8-65.3176.1000112.1L130 T131 E137 A138 L198L130-L134 HydrophobicContact CD1-CD1 4.31Å; L130-L134 HydrophobicContact CD1-CG 4.31Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 3.45Å; T131-L134 PolarHBondContact O-N 3.19Å; L134-E137 PolarHBondContact O-N 3.27Å; L134-A138 WeakPolarHBondContact O-CB 3.38Å; L134-A138 PolarHBondContact O-N 3.49Å; L134-L198 HydrophobicContact CD2-CD1 4.32Å; L134-L198 HydrophobicContact CD2-CD2 3.9Å
135L98.6Very high98.3Very high91 Ų9152.7 Ų52.748%0.47627%0.268SS..Hα-helixtrans-64.8-43.8176.6-178.963.9000111.1T131 H132 I133 E137 A138 L139T131-L135 WeakPolarHBondContact O-CB 3.3Å; T131-L135 PolarHBondContact O-N 2.93Å; H132-L135 PolarHBondContact O-N 3.02Å; I133-L135 VanDerWaalsContact C-N 3.34Å; I133-L135 PolarHBondContact O-N 2.9Å; L135-E137 PolarHBondContact O-N 2.78Å; L135-A138 PolarHBondContact O-N 3.26Å; L135-L139 HydrophobicContact CD1-CD1 3.91Å; L135-L139 HydrophobicContact CD1-CD2 4.49Å; L135-L139 HydrophobicContact CD1-CG 3.93Å; L135-L139 HydrophobicContact CD2-CD1 4.4Å; L135-L139 HydrophobicContact CG-CD1 3.74Å; L135-L139 HydrophobicContact CG-CG 4.2Å; L135-L139 VanDerWaalsContact O-CB 3.31Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 WeakPolarHBondContact O-CG 3.24Å; L135-L139 PolarHBondContact O-N 2.8Å
136L98.6Very high98.3Very high25 Ų2558.3 Ų58.313%0.13129%0.289CS..Hα-helixtrans-60.8-43.4175.8-77.1176000112H132 I133 A140 M160 T163H132-L136 WeakPolarHBondContact NE2-CD1 3.34Å; H132-L136 WeakPolarHBondContact O-CG 3.37Å; H132-L136 PolarHBondContact O-N 3.02Å; I133-L136 PolarHBondContact O-N 3.01Å; L136-A140 WeakPolarHBondContact O-CB 3.45Å; L136-A140 PolarHBondContact O-N 3.22Å; L136-M160 HydrophobicContact CD2-CE 4.23Å; L136-T163 HydrophobicContact CD1-CG2 3.73Å
137E98.3Very high98.3Very high23 Ų2366.4 Ų66.411%0.10732%0.319CS..Hα-helixtrans-64.9-44.5176.9-68.3-166.3161.300112.1I133 L134 L135 A140 W141 L161 S164 R298I133-E137 PolarHBondContact O-N 3.48Å; I133-E137 VanDerWaalsContact O-N 3.11Å; L134-E137 PolarHBondContact O-N 3.27Å; L135-E137 PolarHBondContact O-N 2.78Å; E137-A140 PolarHBondContact O-N 3.42Å; E137-W141 PolarHBondContact O-N 3.47Å; E137-W141 VanDerWaalsContact O-N 3.08Å; E137-L161 HydrophobicContact CG-CD2 4.41Å; E137-S164 VanDerWaalsContact CG-OG 3.3Å; E137-S164 WeakPolarHBondContact CG-OG 3.28Å; E137-R298 IonicContact OE1-CZ 3.77Å; E137-R298 IonicContact OE1-NH1 2.72Å; E137-R298 IonicContact OE1-NH2 2.79Å; E137-R298 PolarHBondContact OE1-NH2 3.37Å; E137-R298 IonicContact OE2-CZ 2.64Å; E137-R298 IonicContact OE2-NH1 3.76Å; E137-R298 PolarHBondContact OE2-NH1 3.49Å; E137-R298 IonicContact OE2-NH2 3.68Å; E137-R298 PolarHBondContact OE2-NH2 3.46Å; E137-R298 VanDerWaalsContact OE2-NH2 3.12Å
138A98.5Very high98.2Very high44 Ų4464.6 Ų64.636%0.36431%0.312SS..Hα-helixtrans-63.1-46.4178.700000111.4L134 L135 W141 M142L134-A138 WeakPolarHBondContact O-CB 3.38Å; L134-A138 PolarHBondContact O-N 3.49Å; L135-A138 PolarHBondContact O-N 3.26Å; A138-W141 PolarHBondContact O-N 2.77Å; A138-M142 HydrophobicContact CB-CE 4.25Å; A138-M142 WeakPolarHBondContact O-CB 3.23Å; A138-M142 VanDerWaalsContact O-CG 3.25Å; A138-M142 WeakPolarHBondContact O-CG 3.49Å; A138-M142 PolarHBondContact O-N 3.43Å
139L98.6Very high98.1Very high73 Ų7362.7 Ų62.738%0.38231%0.305SS..Hα-helixtrans-65.4-41178-69.6171.9000111.7L135 W141 M142 M143 M160L135-L139 HydrophobicContact CD1-CD1 3.91Å; L135-L139 HydrophobicContact CD1-CD2 4.49Å; L135-L139 HydrophobicContact CD1-CG 3.93Å; L135-L139 HydrophobicContact CD2-CD1 4.4Å; L135-L139 HydrophobicContact CG-CD1 3.74Å; L135-L139 HydrophobicContact CG-CG 4.2Å; L135-L139 VanDerWaalsContact O-CB 3.31Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 WeakPolarHBondContact O-CG 3.24Å; L135-L139 PolarHBondContact O-N 2.8Å; L139-W141 VanDerWaalsContact C-N 3.31Å; L139-W141 PolarHBondContact O-N 2.84Å; L139-M142 HydrophobicContact CD2-CE 3.84Å; L139-M142 HydrophobicContact CG-CE 4.41Å; L139-M142 PolarHBondContact O-N 3.34Å; L139-M143 WeakPolarHBondContact O-CB 3.18Å; L139-M143 PolarHBondContact O-N 2.96Å; L139-M160 HydrophobicContact CB-CE 3.4Å; L139-M160 HydrophobicContact CD1-CE 4.4Å
140A98.4Very high98Very high0 Ų064.3 Ų64.30%032%0.319CS..Hα-helixtrans-59-44.7177.300000111.3L136 E137 V144 M160 L161L136-A140 WeakPolarHBondContact O-CB 3.45Å; L136-A140 PolarHBondContact O-N 3.22Å; E137-A140 PolarHBondContact O-N 3.42Å; A140-V144 WeakPolarHBondContact O-CG2 3.39Å; A140-M160 HydrophobicContact CB-CB 3.87Å; A140-M160 HydrophobicContact CB-CE 4.28Å; A140-M160 HydrophobicContact CB-SD 4.33Å; A140-L161 HydrophobicContact CB-CD2 4.02Å; A140-L161 HydrophobicContact CB-CG 4.03Å
141W98.4Very high97.9Very high84 Ų8473.2 Ų73.232%0.31835%0.35SS..Hα-helixtrans-70.4-49.6177.6-179.575.9000112.6E137 A138 L139 M143 V144 W145 C302E137-W141 PolarHBondContact O-N 3.47Å; E137-W141 VanDerWaalsContact O-N 3.08Å; A138-W141 PolarHBondContact O-N 2.77Å; L139-W141 VanDerWaalsContact C-N 3.31Å; L139-W141 PolarHBondContact O-N 2.84Å; W141-M143 PolarHBondContact O-N 3.38Å; W141-V144 VanDerWaalsContact O-CG2 3.27Å; W141-V144 WeakPolarHBondContact O-CG2 3.44Å; W141-V144 PolarHBondContact O-N 2.86Å; W141-W145 HydrophobicContact CH2-CD2 4.31Å; W141-W145 HydrophobicContact CH2-CG 4.08Å; W141-W145 HydrophobicContact CZ2-CB 4.36Å; W141-W145 AromaticContact CZ2-CD1 3.94Å; W141-W145 HydrophobicContact CZ2-CG 4.1Å; W141-W145 VanDerWaalsContact O-CB 3.26Å; W141-W145 WeakPolarHBondContact O-CB 3.45Å; W141-W145 PolarHBondContact O-N 2.95Å; W141-C302 PolarHBondContact NE1-O 3.12Å; W141-C302 VanDerWaalsContact NE1-O 3.1Å
142M98.3Very high97.9Very high84 Ų8474 Ų7441%0.41436%0.355SS..Hα-helixtrans-58.7-37.4179.7-75-173.1-61.300111.9A138 L139 W145 Y146A138-M142 HydrophobicContact CB-CE 4.25Å; A138-M142 WeakPolarHBondContact O-CB 3.23Å; A138-M142 VanDerWaalsContact O-CG 3.25Å; A138-M142 WeakPolarHBondContact O-CG 3.49Å; A138-M142 PolarHBondContact O-N 3.43Å; L139-M142 HydrophobicContact CD2-CE 3.84Å; L139-M142 HydrophobicContact CG-CE 4.41Å; L139-M142 PolarHBondContact O-N 3.34Å; M142-W145 PolarHBondContact O-N 3.4Å; M142-Y146 VanDerWaalsContact O-CB 3.26Å; M142-Y146 WeakPolarHBondContact O-CB 3.28Å; M142-Y146 PolarHBondContact O-N 3.39Å
143M98.2Very high97.9Very high21 Ų2172.8 Ų72.810%0.10335%0.35CS..Hα-helixtrans-60.3-51.8178.4177.7-176.765.300111.6L139 W141 W145 W147 L153 L156 C157 M160L139-M143 WeakPolarHBondContact O-CB 3.18Å; L139-M143 PolarHBondContact O-N 2.96Å; W141-M143 PolarHBondContact O-N 3.38Å; M143-W145 VanDerWaalsContact C-N 3.34Å; M143-W147 HydrophobicContact CB-CE3 4.06Å; M143-W147 HydrophobicContact CB-CZ3 4.03Å; M143-W147 HydrophobicContact CG-CE3 3.64Å; M143-W147 HydrophobicContact CG-CZ3 3.84Å; M143-W147 PolarHBondContact O-N 2.83Å; M143-L153 VanDerWaalsContact CE-O 3.31Å; M143-L153 WeakPolarHBondContact CE-O 3.42Å; M143-L153 HydrophobicContact CG-CD2 3.93Å; M143-L153 HydrophobicContact SD-CD2 3.99Å; M143-L156 HydrophobicContact CE-CB 3.8Å; M143-L156 HydrophobicContact SD-CB 4.16Å; M143-L156 HydrophobicContact SD-CD1 4.46Å; M143-C157 HydrophobicContact CE-CB 3.77Å; M143-M160 HydrophobicContact CE-SD 4.19Å
144V98.1Very high97.8Very high0 Ų073.9 Ų73.90%036%0.357CS..Hα-helixtrans-75.3-25.8-179.4-63.10000112.6A140 W141 G148 L153 C157 Y303 L306 Y307A140-V144 WeakPolarHBondContact O-CG2 3.39Å; W141-V144 VanDerWaalsContact O-CG2 3.27Å; W141-V144 WeakPolarHBondContact O-CG2 3.44Å; W141-V144 PolarHBondContact O-N 2.86Å; V144-G148 WeakPolarHBondContact CA-O 3.24Å; V144-G148 CarbonylContact O-C 3.4Å; V144-G148 WeakPolarHBondContact O-CA 3.27Å; V144-G148 PolarHBondContact O-N 3.41Å; V144-G148 VanDerWaalsContact O-N 3.11Å; V144-L153 HydrophobicContact CG1-CB 4.43Å; V144-C157 HydrophobicContact CG1-CB 3.76Å; V144-Y303 HydrophobicContact CG2-CE1 4.03Å; V144-L306 HydrophobicContact CB-CD1 4.46Å; V144-L306 HydrophobicContact CG2-CD1 3.65Å; V144-Y307 HydrophobicContact CB-CE2 4.46Å; V144-Y307 WeakPolarHBondContact CG1-OH 3.27Å; V144-Y307 HydrophobicContact CG2-CE2 4.36Å
145W98.1Very high97.8Very high150 Ų15074.9 Ų74.957%0.56836%0.362SS*.Hα-helixtrans-70.5-43.2174.5175.278.1000112W141 M142 M143 L306W141-W145 HydrophobicContact CH2-CD2 4.31Å; W141-W145 HydrophobicContact CH2-CG 4.08Å; W141-W145 HydrophobicContact CZ2-CB 4.36Å; W141-W145 AromaticContact CZ2-CD1 3.94Å; W141-W145 HydrophobicContact CZ2-CG 4.1Å; W141-W145 VanDerWaalsContact O-CB 3.26Å; W141-W145 WeakPolarHBondContact O-CB 3.45Å; W141-W145 PolarHBondContact O-N 2.95Å; M142-W145 PolarHBondContact O-N 3.4Å; M143-W145 VanDerWaalsContact C-N 3.34Å; W145-L306 HydrophobicContact CB-CD1 4.34Å
146Y98Very high97.8Very high165 Ų16574.6 Ų74.665%0.64736%0.361SS*.Hα-helixtrans-83.5-41.3-175.9-173-97.8000113.2M142M142-Y146 VanDerWaalsContact O-CB 3.26Å; M142-Y146 WeakPolarHBondContact O-CB 3.28Å; M142-Y146 PolarHBondContact O-N 3.39Å
147W97.6Very high97.8Very high176 Ų17673.4 Ų73.467%0.66735%0.354SS*.Hα-helixtrans-102.6-0.6-176.5-64.8-64.7000114.5M143 L153M143-W147 HydrophobicContact CB-CE3 4.06Å; M143-W147 HydrophobicContact CB-CZ3 4.03Å; M143-W147 HydrophobicContact CG-CE3 3.64Å; M143-W147 HydrophobicContact CG-CZ3 3.84Å; M143-W147 PolarHBondContact O-N 2.83Å; W147-L153 HydrophobicContact CB-CD1 3.69Å
148G95.6Very high97.8Very high30 Ų3072.3 Ų72.331%0.30935%0.349SS..  trans82.8-166.7179.400000114.8V144 L153V144-G148 WeakPolarHBondContact CA-O 3.24Å; V144-G148 CarbonylContact O-C 3.4Å; V144-G148 WeakPolarHBondContact O-CA 3.27Å; V144-G148 PolarHBondContact O-N 3.41Å; V144-G148 VanDerWaalsContact O-N 3.11Å; G148-L153 WeakPolarHBondContact O-CD1 3.34Å
149T95.8Very high97.8Very high68 Ų6873.6 Ų73.642%0.41735%0.352SS..  trans-11654.8-164.352.10000114.2L306 Y307T149-L306 HydrophobicContact CG2-CB 4.14Å; T149-Y307 HydrophobicContact CG2-CD1 4.02Å; T149-Y307 HydrophobicContact CG2-CD2 4.18Å; T149-Y307 HydrophobicContact CG2-CE1 3.61Å; T149-Y307 HydrophobicContact CG2-CE2 3.78Å; T149-Y307 HydrophobicContact CG2-CG 4.29Å; T149-Y307 VanDerWaalsContact CG2-CZ 3.47Å
150S96.6Very high97.8Very high59 Ų5972 Ų7241%0.41334%0.343SS..  trans-75.2155.5171.677.40000112T152 L153 T154S150-T152 PolarHBondContact O-N 3.11Å; S150-T152 VanDerWaalsContact O-N 3.17Å; S150-L153 PolarHBondContact O-N 3.2Å; S150-L153 WeakPolarHBondContact OG-CG 3.13Å; S150-L153 PolarHBondContact OG-N 3.39Å; S150-T154 PolarHBondContact O-N 3.48Å; S150-T154 PolarHBondContact O-OG1 3.05Å
151W96.6Very high97.8Very high232 Ų23272.4 Ų72.488%0.87935%0.346SS*.Hα-helixtrans-52.2-40.5178.6-75.3112.6000113.7T154 L155W151-T154 PolarHBondContact O-N 3.24Å; W151-L155 WeakPolarHBondContact O-CB 3.46Å; W151-L155 PolarHBondContact O-N 2.85Å
152T97.4Very high97.8Very high100 Ų10068.6 Ų68.661%0.61333%0.332SS*.Hα-helixtrans-65-46.4177.1-52.80000111.5S150 L155 L156S150-T152 PolarHBondContact O-N 3.11Å; S150-T152 VanDerWaalsContact O-N 3.17Å; T152-L155 PolarHBondContact O-N 2.73Å; T152-L156 HydrophobicContact CG2-CD1 4.31Å; T152-L156 WeakPolarHBondContact O-CG 3.48Å; T152-L156 PolarHBondContact O-N 3.36Å
153L98Very high97.9Very high31 Ų3165.5 Ų65.516%0.16232%0.318CS..Hα-helixtrans-67.4-37.2178.9-66175.6000111.6M143 V144 W147 G148 S150 L156 C157M143-L153 VanDerWaalsContact CE-O 3.31Å; M143-L153 WeakPolarHBondContact CE-O 3.42Å; M143-L153 HydrophobicContact CG-CD2 3.93Å; M143-L153 HydrophobicContact SD-CD2 3.99Å; V144-L153 HydrophobicContact CG1-CB 4.43Å; W147-L153 HydrophobicContact CB-CD1 3.69Å; G148-L153 WeakPolarHBondContact O-CD1 3.34Å; S150-L153 PolarHBondContact O-N 3.2Å; S150-L153 WeakPolarHBondContact OG-CG 3.13Å; S150-L153 PolarHBondContact OG-N 3.39Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-C157 WeakPolarHBondContact O-CB 3.31Å; L153-C157 PolarHBondContact O-N 2.56Å
154T98.1Very high97.9Very high23 Ų2364.5 Ų64.514%0.14131%0.313CS..Hα-helixtrans-64-42.5174.1-55.10000111.8S150 W151 C157 A158 Y307 L315S150-T154 PolarHBondContact O-N 3.48Å; S150-T154 PolarHBondContact O-OG1 3.05Å; W151-T154 PolarHBondContact O-N 3.24Å; T154-C157 WeakPolarHBondContact O-CB 3.43Å; T154-C157 PolarHBondContact O-N 2.83Å; T154-A158 WeakPolarHBondContact O-CB 3.49Å; T154-A158 PolarHBondContact O-N 3.26Å; T154-Y307 HydrophobicContact CG2-CE1 3.85Å; T154-Y307 VanDerWaalsContact OG1-CE1 3.29Å; T154-Y307 WeakPolarHBondContact OG1-CE1 3.42Å; T154-Y307 PolarHBondContact OG1-OH 3.47Å; T154-L315 HydrophobicContact CG2-CD1 4.07Å
155L98.3Very high97.9Very high93 Ų9364.9 Ų64.949%0.48732%0.315SS..Hα-helixtrans-64.6-45.8176.1179.561000111.6W151 T152 C157 A158 V159 F318W151-L155 WeakPolarHBondContact O-CB 3.46Å; W151-L155 PolarHBondContact O-N 2.85Å; T152-L155 PolarHBondContact O-N 2.73Å; L155-C157 VanDerWaalsContact C-N 3.32Å; L155-C157 PolarHBondContact O-N 2.97Å; L155-A158 PolarHBondContact O-N 2.94Å; L155-V159 WeakPolarHBondContact O-CG2 3.27Å; L155-V159 PolarHBondContact O-N 2.79Å; L155-F318 HydrophobicContact CD1-CE1 3.89Å; L155-F318 HydrophobicContact CD1-CZ 4.19Å
156L98.4Very high97.9Very high86 Ų8657.9 Ų57.945%0.4529%0.288SS..Hα-helixtrans-60.4-43.5175.5-71.1173.7000111.2M143 T152 L153 A158 V159 M160M143-L156 HydrophobicContact CE-CB 3.8Å; M143-L156 HydrophobicContact SD-CB 4.16Å; M143-L156 HydrophobicContact SD-CD1 4.46Å; T152-L156 HydrophobicContact CG2-CD1 4.31Å; T152-L156 WeakPolarHBondContact O-CG 3.48Å; T152-L156 PolarHBondContact O-N 3.36Å; L153-L156 PolarHBondContact O-N 2.87Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 3.35Å; L156-V159 PolarHBondContact O-N 3.35Å; L156-M160 VanDerWaalsContact O-CG 3.26Å; L156-M160 WeakPolarHBondContact O-CG 3.4Å; L156-M160 PolarHBondContact O-N 3Å
157C98.6Very high97.9Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-59-46.2175.5179.40000110.8M143 V144 L153 T154 L155 V159 M160 L161M143-C157 HydrophobicContact CE-CB 3.77Å; V144-C157 HydrophobicContact CG1-CB 3.76Å; L153-C157 WeakPolarHBondContact O-CB 3.31Å; L153-C157 PolarHBondContact O-N 2.56Å; T154-C157 WeakPolarHBondContact O-CB 3.43Å; T154-C157 PolarHBondContact O-N 2.83Å; L155-C157 VanDerWaalsContact C-N 3.32Å; L155-C157 PolarHBondContact O-N 2.97Å; C157-V159 PolarHBondContact O-N 3.48Å; C157-M160 PolarHBondContact O-N 2.93Å; C157-L161 WeakPolarHBondContact O-CB 3.34Å; C157-L161 VanDerWaalsContact O-CG 3.27Å; C157-L161 WeakPolarHBondContact O-CG 3.32Å; C157-L161 PolarHBondContact O-N 3.25Å
158A98.6Very high97.9Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-61-42.7177.800000112.6T154 L155 L156 L161 A162 L315 F318 V319 L322T154-A158 WeakPolarHBondContact O-CB 3.49Å; T154-A158 PolarHBondContact O-N 3.26Å; L155-A158 PolarHBondContact O-N 2.94Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 3.35Å; A158-L161 PolarHBondContact O-N 3.33Å; A158-A162 WeakPolarHBondContact O-CB 3.46Å; A158-A162 PolarHBondContact O-N 3.35Å; A158-L315 HydrophobicContact CB-CD1 3.89Å; A158-F318 HydrophobicContact CB-CD1 3.62Å; A158-F318 HydrophobicContact CB-CE1 3.84Å; A158-V319 HydrophobicContact CB-CG2 3.97Å; A158-L322 HydrophobicContact CB-CD1 4.29Å
159V98.6Very high98Very high70 Ų7040.6 Ų40.642%0.42422%0.215SC..Hα-helixtrans-65.2-42.2177.2171.20000111.5L155 L156 C157 A162 T163 L322L155-V159 WeakPolarHBondContact O-CG2 3.27Å; L155-V159 PolarHBondContact O-N 2.79Å; L156-V159 PolarHBondContact O-N 3.35Å; C157-V159 PolarHBondContact O-N 3.48Å; V159-A162 PolarHBondContact O-N 3.08Å; V159-T163 WeakPolarHBondContact O-CB 3.24Å; V159-T163 PolarHBondContact O-N 3.2Å; V159-T163 PolarHBondContact O-OG1 3.42Å; V159-L322 HydrophobicContact CG2-CD1 4.46Å
160M98.7Very high98.1Very high39 Ų3937.8 Ų37.819%0.19220%0.197CC..Hα-helixtrans-64.8-44.3177.1-68.9173.473.300111.7L136 L139 A140 M143 L156 C157 T163 S164L136-M160 HydrophobicContact CD2-CE 4.23Å; L139-M160 HydrophobicContact CB-CE 3.4Å; L139-M160 HydrophobicContact CD1-CE 4.4Å; A140-M160 HydrophobicContact CB-CB 3.87Å; A140-M160 HydrophobicContact CB-CE 4.28Å; A140-M160 HydrophobicContact CB-SD 4.33Å; M143-M160 HydrophobicContact CE-SD 4.19Å; L156-M160 VanDerWaalsContact O-CG 3.26Å; L156-M160 WeakPolarHBondContact O-CG 3.4Å; L156-M160 PolarHBondContact O-N 3Å; C157-M160 PolarHBondContact O-N 2.93Å; M160-T163 PolarHBondContact O-N 3.14Å; M160-S164 WeakPolarHBondContact O-CB 3.38Å; M160-S164 PolarHBondContact O-N 2.83Å
161L98.7Very high98.2Very high10 Ų1035 Ų355%0.05218%0.177CC..Hα-helixtrans-64.8-43.1175.6-69.5175.6000111.7E137 A140 C157 A158 S164 Q165 Y299 Y303 V319E137-L161 HydrophobicContact CG-CD2 4.41Å; A140-L161 HydrophobicContact CB-CD2 4.02Å; A140-L161 HydrophobicContact CB-CG 4.03Å; C157-L161 WeakPolarHBondContact O-CB 3.34Å; C157-L161 VanDerWaalsContact O-CG 3.27Å; C157-L161 WeakPolarHBondContact O-CG 3.32Å; C157-L161 PolarHBondContact O-N 3.25Å; A158-L161 PolarHBondContact O-N 3.33Å; L161-S164 PolarHBondContact O-N 3.44Å; L161-Q165 WeakPolarHBondContact O-CB 3.39Å; L161-Q165 WeakPolarHBondContact O-CG 3.45Å; L161-Q165 PolarHBondContact O-N 3.3Å; L161-Y299 HydrophobicContact CD1-CE2 4.41Å; L161-Y303 HydrophobicContact CD1-CE1 4.49Å; L161-Y303 HydrophobicContact CD1-CE2 4.22Å; L161-V319 HydrophobicContact CB-CG1 3.87Å; L161-V319 HydrophobicContact CB-CG2 3.82Å; L161-V319 HydrophobicContact CD1-CG2 4.01Å
162A98.6Very high98.3Very high4 Ų424.2 Ų24.23%0.03314%0.137CC..Hα-helixtrans-63.3-41.9176.600000111.7A158 V159 Q165 A166 V319 L322A158-A162 WeakPolarHBondContact O-CB 3.46Å; A158-A162 PolarHBondContact O-N 3.35Å; V159-A162 PolarHBondContact O-N 3.08Å; A162-Q165 PolarHBondContact O-N 2.61Å; A162-A166 WeakPolarHBondContact O-CB 3.16Å; A162-A166 PolarHBondContact O-N 2.97Å; A162-V319 HydrophobicContact CB-CG1 4.41Å; A162-L322 HydrophobicContact CB-CB 3.7Å; A162-L322 HydrophobicContact CB-CD1 4.2Å
163T98.7Very high98.3Very high19 Ų1920.2 Ų20.212%0.11711%0.111CC..Hα-helixtrans-61.4-46.3174.2-56.80000110.7L136 V159 M160 Q165 A166 Q167 W326 W367L136-T163 HydrophobicContact CD1-CG2 3.73Å; V159-T163 WeakPolarHBondContact O-CB 3.24Å; V159-T163 PolarHBondContact O-N 3.2Å; V159-T163 PolarHBondContact O-OG1 3.42Å; M160-T163 PolarHBondContact O-N 3.14Å; T163-Q165 PolarHBondContact O-N 2.94Å; T163-A166 PolarHBondContact O-N 3.49Å; T163-Q167 HydrophobicContact CG2-CG 4.33Å; T163-Q167 WeakPolarHBondContact O-CB 3.38Å; T163-Q167 WeakPolarHBondContact O-CG 3.4Å; T163-Q167 PolarHBondContact O-N 3.28Å; T163-W326 HydrophobicContact CG2-CH2 4.06Å; T163-W326 HydrophobicContact CG2-CZ3 4.25Å; T163-W367 HydrophobicContact CG2-CH2 4.1Å; T163-W367 HydrophobicContact CG2-CZ2 3.8Å
164S98.6Very high98.3Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-59.6-45176.5-175.70000112I133 E137 M160 L161 Q167 A168I133-S164 VanDerWaalsContact CG2-OG 3.28Å; I133-S164 WeakPolarHBondContact CG2-OG 3.17Å; I133-S164 PolarHBondContact O-OG 3.1Å; I133-S164 VanDerWaalsContact O-OG 3.06Å; E137-S164 VanDerWaalsContact CG-OG 3.3Å; E137-S164 WeakPolarHBondContact CG-OG 3.28Å; M160-S164 WeakPolarHBondContact O-CB 3.38Å; M160-S164 PolarHBondContact O-N 2.83Å; L161-S164 PolarHBondContact O-N 3.44Å; S164-Q167 PolarHBondContact O-N 3.1Å; S164-A168 VanDerWaalsContact O-CB 3.28Å; S164-A168 WeakPolarHBondContact O-CB 3.48Å; S164-A168 PolarHBondContact O-N 2.84Å
165Q97.9Very high98.3Very high8 Ų818.1 Ų18.14%0.03710%0.099CC..Hα-helixtrans-65.5-38.1178.5-69.2-93.5-30.500113.4L161 A162 T163 G169 L198 K199 V319 E323L161-Q165 WeakPolarHBondContact O-CB 3.39Å; L161-Q165 WeakPolarHBondContact O-CG 3.45Å; L161-Q165 PolarHBondContact O-N 3.3Å; A162-Q165 PolarHBondContact O-N 2.61Å; T163-Q165 PolarHBondContact O-N 2.94Å; Q165-G169 PolarHBondContact O-N 3.25Å; Q165-L198 PolarHBondContact NE2-O 3.43Å; Q165-K199 PolarHBondContact O-NZ 2.97Å; Q165-K199 PolarHBondContact OE1-O 3Å; Q165-V319 HydrophobicContact CG-CG1 4.24Å; Q165-E323 HydrophobicContact CB-CB 4.3Å; Q165-E323 HydrophobicContact CB-CG 3.83Å
166A98.1Very high98.3Very high2 Ų213.7 Ų13.72%0.0178%0.075CC..Hα-helixtrans-67.2-48.9174.600000110.5A162 T163 A168 G169 W170 W326A162-A166 WeakPolarHBondContact O-CB 3.16Å; A162-A166 PolarHBondContact O-N 2.97Å; T163-A166 PolarHBondContact O-N 3.49Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 2.91Å; A166-G169 VanDerWaalsContact O-CA 3.31Å; A166-G169 WeakPolarHBondContact O-CA 3.24Å; A166-G169 PolarHBondContact O-N 2.86Å; A166-W170 PolarHBondContact O-N 2.96Å; A166-W326 HydrophobicContact CB-CD2 3.82Å; A166-W326 HydrophobicContact CB-CE3 3.97Å; A166-W326 HydrophobicContact CB-CG 4.12Å; A166-W326 HydrophobicContact CB-CZ3 4.45Å
167Q98.4Very high98.2Very high0 Ų010.2 Ų10.20%06%0.057CC..Hα-helixtrans-62.5-37177.2-66.6-64.6-49.200112.4I133 T163 S164 G169 W170 L171 W367I133-Q167 HydrophobicContact CD1-CB 4.22Å; I133-Q167 HydrophobicContact CG1-CB 3.79Å; T163-Q167 HydrophobicContact CG2-CG 4.33Å; T163-Q167 WeakPolarHBondContact O-CB 3.38Å; T163-Q167 WeakPolarHBondContact O-CG 3.4Å; T163-Q167 PolarHBondContact O-N 3.28Å; S164-Q167 PolarHBondContact O-N 3.1Å; Q167-G169 VanDerWaalsContact C-N 3.3Å; Q167-W170 PolarHBondContact O-N 3.02Å; Q167-L171 WeakPolarHBondContact O-CB 3.39Å; Q167-L171 PolarHBondContact O-N 3.4Å; Q167-W367 PolarHBondContact NE2-O 2.83Å
168A98.5Very high98.1Very high1 Ų111.6 Ų11.61%0.0086%0.064CC..Hα-helixtrans-63.8-35.3170.700000112I133 S164 A166 W170 L171 Q172 V194 L198I133-A168 HydrophobicContact CD1-CB 4.16Å; I133-A168 HydrophobicContact CG2-CB 4.24Å; S164-A168 VanDerWaalsContact O-CB 3.28Å; S164-A168 WeakPolarHBondContact O-CB 3.48Å; S164-A168 PolarHBondContact O-N 2.84Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 2.91Å; A168-W170 VanDerWaalsContact C-N 3.34Å; A168-L171 PolarHBondContact O-N 2.89Å; A168-Q172 WeakPolarHBondContact O-CB 3.42Å; A168-Q172 VanDerWaalsContact O-CG 3.28Å; A168-Q172 WeakPolarHBondContact O-CG 3.41Å; A168-Q172 PolarHBondContact O-N 3.33Å; A168-V194 HydrophobicContact CB-CG1 4.07Å; A168-V194 WeakPolarHBondContact O-CG1 3.47Å; A168-L198 HydrophobicContact CB-CB 4.47Å
169G97.6Very high97.9Very high7 Ų711.9 Ų11.97%0.0727%0.066CC..Hα-helixtrans-60.3-40.1171.200000113.1Q165 A166 Q167 Q172 H173Q165-G169 PolarHBondContact O-N 3.25Å; A166-G169 VanDerWaalsContact O-CA 3.31Å; A166-G169 WeakPolarHBondContact O-CA 3.24Å; A166-G169 PolarHBondContact O-N 2.86Å; Q167-G169 VanDerWaalsContact C-N 3.3Å; G169-Q172 VanDerWaalsContact O-CG 3.31Å; G169-Q172 WeakPolarHBondContact O-CG 3.28Å; G169-Q172 PolarHBondContact O-NE2 3.07Å; G169-H173 WeakPolarHBondContact O-CB 3.45Å; G169-H173 PolarHBondContact O-N 2.97Å
170W98.1Very high97.9Very high9 Ų99.4 Ų9.43%0.0345%0.051CC..Hα-helixtrans-73.5-41.6175.4-45.9145.7000112.2A166 Q167 A168 H173 D174 F327 V330 T331 F368 L372 R386A166-W170 PolarHBondContact O-N 2.96Å; Q167-W170 PolarHBondContact O-N 3.02Å; A168-W170 VanDerWaalsContact C-N 3.34Å; W170-H173 WeakPolarHBondContact O-CB 3.42Å; W170-H173 PolarHBondContact O-N 2.77Å; W170-D174 PolarHBondContact O-N 3Å; W170-F327 HydrophobicContact CH2-CD2 4.14Å; W170-F327 HydrophobicContact CZ3-CD2 4.15Å; W170-V330 HydrophobicContact CH2-CB 3.79Å; W170-V330 HydrophobicContact CH2-CG1 3.5Å; W170-V330 HydrophobicContact CH2-CG2 4.41Å; W170-V330 HydrophobicContact CZ2-CB 4.01Å; W170-V330 HydrophobicContact CZ2-CG1 3.8Å; W170-V330 HydrophobicContact CZ2-CG2 4.13Å; W170-V330 HydrophobicContact CZ3-CG1 4.16Å; W170-T331 HydrophobicContact CZ3-CG2 4.45Å; W170-F368 PolarHBondContact NE1-O 3.22Å; W170-L372 HydrophobicContact CE3-CD1 3.68Å; W170-L372 HydrophobicContact CH2-CD1 4.33Å; W170-L372 HydrophobicContact CZ3-CD1 3.52Å; W170-R386 VanDerWaalsContact C-NH1 3.29Å; W170-R386 VanDerWaalsContact CB-NH1 3.29Å; W170-R386 PolarHBondContact O-NH1 2.84Å
171L98.4Very high97.7Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-69.3-40.1-179.1179.662.2000112F126 H129 L130 I133 Q167 A168 H173 D174 F175 V194F126-L171 HydrophobicContact CB-CD1 4.42Å; F126-L171 HydrophobicContact CD1-CD1 3.83Å; H129-L171 HydrophobicContact CB-CD1 4.45Å; L130-L171 HydrophobicContact CB-CD2 3.89Å; L130-L171 HydrophobicContact CD1-CD2 4.06Å; I133-L171 HydrophobicContact CD1-CB 4.01Å; I133-L171 HydrophobicContact CD1-CD2 3.62Å; I133-L171 HydrophobicContact CD1-CG 4.46Å; Q167-L171 WeakPolarHBondContact O-CB 3.39Å; Q167-L171 PolarHBondContact O-N 3.4Å; A168-L171 PolarHBondContact O-N 2.89Å; L171-H173 PolarHBondContact O-N 2.78Å; L171-D174 PolarHBondContact O-N 3.41Å; L171-F175 HydrophobicContact CD1-CD2 4.34Å; L171-F175 HydrophobicContact CD1-CE2 3.59Å; L171-F175 HydrophobicContact CD1-CZ 4.16Å; L171-F175 HydrophobicContact CD2-CE2 4.21Å; L171-F175 HydrophobicContact CG-CD2 4.21Å; L171-F175 HydrophobicContact CG-CE2 3.63Å; L171-F175 WeakPolarHBondContact O-CD2 3.5Å; L171-F175 PolarHBondContact O-N 2.84Å; L171-V194 HydrophobicContact CB-CG1 4.28Å; L171-V194 HydrophobicContact CD2-CG1 4.33Å; L171-V194 HydrophobicContact CD2-CG2 4.23Å; L171-V194 HydrophobicContact CG-CG1 4.32Å; L171-V194 HydrophobicContact CG-CG2 4.49Å
172Q98.2Very high97.4Very high7 Ų721.4 Ų21.43%0.03310%0.102CC..Hα-helixtrans-63-33.1175.97474.539.800111.4A168 G169 F175 G176 H191 V194 I195 W206A168-Q172 WeakPolarHBondContact O-CB 3.42Å; A168-Q172 VanDerWaalsContact O-CG 3.28Å; A168-Q172 WeakPolarHBondContact O-CG 3.41Å; A168-Q172 PolarHBondContact O-N 3.33Å; G169-Q172 VanDerWaalsContact O-CG 3.31Å; G169-Q172 WeakPolarHBondContact O-CG 3.28Å; G169-Q172 PolarHBondContact O-NE2 3.07Å; Q172-F175 PolarHBondContact O-N 2.77Å; Q172-G176 PolarHBondContact O-N 3.22Å; Q172-H191 PolarHBondContact O-CD2 3.1Å; Q172-H191 PolarHBondContact OE1-CD2 3.48Å; Q172-H191 VanDerWaalsContact OE1-CD2 3.31Å; Q172-H191 PolarHBondContact OE1-NE2 3.3Å; Q172-V194 HydrophobicContact CB-CB 4.03Å; Q172-V194 HydrophobicContact CB-CG1 3.78Å; Q172-I195 HydrophobicContact CB-CB 3.9Å; Q172-I195 HydrophobicContact CG-CB 3.94Å; Q172-I195 HydrophobicContact CG-CD1 4.36Å; Q172-I195 HydrophobicContact CG-CG1 4.13Å; Q172-W206 VanDerWaalsContact NE2-CE2 3.33Å
173H97.9Very high97.1Very high16 Ų1627.8 Ų27.87%0.07413%0.129CC..Hα-helixtrans-61.5-45.6179.8174.2-84.3000111G169 W170 L171 F175 G176 H177 W206 H210 H378G169-H173 WeakPolarHBondContact O-CB 3.45Å; G169-H173 PolarHBondContact O-N 2.97Å; W170-H173 WeakPolarHBondContact O-CB 3.42Å; W170-H173 PolarHBondContact O-N 2.77Å; L171-H173 PolarHBondContact O-N 2.78Å; H173-F175 VanDerWaalsContact C-N 3.32Å; H173-F175 PolarHBondContact O-N 3.06Å; H173-G176 PolarHBondContact O-N 3.46Å; H173-G176 VanDerWaalsContact O-N 3.14Å; H173-H177 AromaticContact CD2-NE2 3.9Å; H173-H177 AromaticContact CE1-CD2 3.47Å; H173-H177 PolarHBondContact CE1-CD2 3.16Å; H173-H177 VanDerWaalsContact CE1-CD2 3.47Å; H173-H177 AromaticContact CE1-NE2 3.5Å; H173-H177 PolarHBondContact CE1-NE2 2.96Å; H173-H177 AromaticContact CG-CD2 3.95Å; H173-H177 AromaticContact ND1-CD2 3.57Å; H173-H177 AromaticContact ND1-NE2 4Å; H173-H177 AromaticContact NE2-CD2 3.79Å; H173-H177 AromaticContact NE2-NE2 3.39Å; H173-H177 PolarHBondContact NE2-NE2 3.05Å; H173-H177 PolarHBondContact O-CD2 2.87Å; H173-H177 PolarHBondContact O-N 3.17Å; H173-W206 HydrophobicContact CB-CZ2 4.11Å; H173-W206 AromaticContact CD2-CZ2 3.46Å; H173-W206 VanDerWaalsContact CD2-CZ2 3.46Å; H173-W206 WeakPolarHBondContact CD2-CZ2 3.27Å; H173-W206 AromaticContact CG-CZ2 3.96Å; H173-H210 AromaticContact CD2-CE1 3.86Å; H173-H210 AromaticContact CD2-NE2 3.6Å; H173-H210 AromaticContact NE2-CE1 3.64Å; H173-H210 AromaticContact NE2-NE2 3.3Å; H173-H210 PolarHBondContact NE2-NE2 2.88Å; H173-H378 AromaticContact CE1-CE1 3.07Å; H173-H378 PolarHBondContact CE1-CE1 2.79Å; H173-H378 AromaticContact CE1-ND1 3.71Å; H173-H378 AromaticContact CE1-NE2 3.28Å; H173-H378 PolarHBondContact CE1-NE2 3.43Å; H173-H378 VanDerWaalsContact CE1-NE2 3.28Å; H173-H378 AromaticContact NE2-CE1 3.51Å; H173-H378 AromaticContact NE2-NE2 3.26Å; H173-H378 PolarHBondContact NE2-NE2 3Å
174D98.1Very high96.8Very high1 Ų129.7 Ų29.71%0.00514%0.143CC..Hα-helixtrans-56.2-44.4174.6-67.4-78.4000112.4F126 W170 L171 H177 L178 S179 V180 R386F126-D174 HydrophobicContact CD1-CB 4.43Å; F126-D174 HydrophobicContact CE1-CB 3.74Å; F126-D174 HydrophobicContact CZ-CB 4.5Å; W170-D174 PolarHBondContact O-N 3Å; L171-D174 PolarHBondContact O-N 3.41Å; D174-H177 PolarHBondContact O-N 3.48Å; D174-L178 PolarHBondContact O-N 3.17Å; D174-S179 PolarHBondContact O-N 3Å; D174-S179 VanDerWaalsContact O-N 3.12Å; D174-S179 PolarHBondContact O-OG 2.97Å; D174-V180 HydrophobicContact CB-CG2 3.84Å; D174-R386 WeakPolarHBondContact OD1-CB 3.47Å; D174-R386 WeakPolarHBondContact OD1-CD 3.44Å; D174-R386 VanDerWaalsContact OD1-CG 3.3Å; D174-R386 WeakPolarHBondContact OD1-CG 3.47Å; D174-R386 VanDerWaalsContact OD2-CD 3.28Å; D174-R386 WeakPolarHBondContact OD2-CD 3.42Å; D174-R386 IonicContact OD2-CZ 3.45Å; D174-R386 IonicContact OD2-NE 3.09Å; D174-R386 PolarHBondContact OD2-NE 3.34Å; D174-R386 IonicContact OD2-NH1 2.93Å; D174-R386 PolarHBondContact OD2-NH1 3.39Å
175F98.1Very high96.6Very high8 Ų835.9 Ų35.94%0.03517%0.17CC..Hα-helixtrans-70.5-36.9177.2-65-63.5000112.5L171 Q172 H173 H177 L178 V180 F181 V190 H191 V194L171-F175 HydrophobicContact CD1-CD2 4.34Å; L171-F175 HydrophobicContact CD1-CE2 3.59Å; L171-F175 HydrophobicContact CD1-CZ 4.16Å; L171-F175 HydrophobicContact CD2-CE2 4.21Å; L171-F175 HydrophobicContact CG-CD2 4.21Å; L171-F175 HydrophobicContact CG-CE2 3.63Å; L171-F175 WeakPolarHBondContact O-CD2 3.5Å; L171-F175 PolarHBondContact O-N 2.84Å; Q172-F175 PolarHBondContact O-N 2.77Å; H173-F175 VanDerWaalsContact C-N 3.32Å; H173-F175 PolarHBondContact O-N 3.06Å; F175-H177 PolarHBondContact O-N 3.13Å; F175-L178 PolarHBondContact O-N 3.35Å; F175-V180 HydrophobicContact CD1-CB 3.72Å; F175-V180 HydrophobicContact CD1-CG1 4.3Å; F175-V180 HydrophobicContact CD1-CG2 3.62Å; F175-V180 HydrophobicContact CE1-CB 3.53Å; F175-V180 HydrophobicContact CE1-CG1 3.59Å; F175-V180 HydrophobicContact CE1-CG2 3.6Å; F175-V180 HydrophobicContact CG-CG2 4.33Å; F175-V180 HydrophobicContact CZ-CG1 4.32Å; F175-V180 HydrophobicContact CZ-CG2 4.29Å; F175-F181 HydrophobicContact CD1-CD2 4.22Å; F175-F181 HydrophobicContact CD1-CE2 4.06Å; F175-F181 HydrophobicContact CE1-CD2 4.01Å; F175-F181 AromaticContact CE1-CE2 3.48Å; F175-F181 HydrophobicContact CE1-CE2 3.48Å; F175-F181 VanDerWaalsContact CE1-CE2 3.48Å; F175-F181 HydrophobicContact CE1-CZ 4.34Å; F175-F181 HydrophobicContact CZ-CE2 4.42Å; F175-V190 HydrophobicContact CD1-CB 4.1Å; F175-V190 HydrophobicContact CD1-CG1 4.13Å; F175-V190 HydrophobicContact CD2-CB 4.42Å; F175-V190 HydrophobicContact CD2-CG1 3.81Å; F175-V190 HydrophobicContact CE1-CB 4.04Å; F175-V190 HydrophobicContact CE1-CG1 3.76Å; F175-V190 HydrophobicContact CE2-CB 4.35Å; F175-V190 HydrophobicContact CE2-CG1 3.4Å; F175-V190 HydrophobicContact CG-CB 4.31Å; F175-V190 HydrophobicContact CG-CG1 4.17Å; F175-V190 HydrophobicContact CZ-CB 4.19Å; F175-V190 HydrophobicContact CZ-CG1 3.39Å; F175-H191 HydrophobicContact CB-CB 3.69Å; F175-V194 HydrophobicContact CD2-CG2 4.26Å; F175-V194 HydrophobicContact CE2-CG2 4.1Å
176G96.9Very high96.5Very high0 Ų041.5 Ų41.50%019%0.191CC..Hα-helixtrans-63.2-30.3176.400000112.9Q172 H173 L178 N207 Y211Q172-G176 PolarHBondContact O-N 3.22Å; H173-G176 PolarHBondContact O-N 3.46Å; H173-G176 VanDerWaalsContact O-N 3.14Å; G176-L178 VanDerWaalsContact C-N 3.29Å; G176-N207 PolarHBondContact O-ND2 3.13Å; G176-Y211 PolarHBondContact O-OH 3.44Å
177H96.5Very high96.5Very high13 Ų1341.4 Ų41.46%0.0619%0.19CC..THydrogen-bonded Turntrans-82.71170.7-78.4-65.2000115.2H173 D174 F175 S179 W206 H210 H214 H378 P382H173-H177 AromaticContact CD2-NE2 3.9Å; H173-H177 AromaticContact CE1-CD2 3.47Å; H173-H177 PolarHBondContact CE1-CD2 3.16Å; H173-H177 VanDerWaalsContact CE1-CD2 3.47Å; H173-H177 AromaticContact CE1-NE2 3.5Å; H173-H177 PolarHBondContact CE1-NE2 2.96Å; H173-H177 AromaticContact CG-CD2 3.95Å; H173-H177 AromaticContact ND1-CD2 3.57Å; H173-H177 AromaticContact ND1-NE2 4Å; H173-H177 AromaticContact NE2-CD2 3.79Å; H173-H177 AromaticContact NE2-NE2 3.39Å; H173-H177 PolarHBondContact NE2-NE2 3.05Å; H173-H177 PolarHBondContact O-CD2 2.87Å; H173-H177 PolarHBondContact O-N 3.17Å; D174-H177 PolarHBondContact O-N 3.48Å; F175-H177 PolarHBondContact O-N 3.13Å; H177-S179 PolarHBondContact O-N 3.24Å; H177-W206 AromaticContact NE2-CH2 3.88Å; H177-H210 AromaticContact CE1-CD2 3.37Å; H177-H210 PolarHBondContact CE1-CD2 2.85Å; H177-H210 AromaticContact CE1-NE2 3.36Å; H177-H210 PolarHBondContact CE1-NE2 3.43Å; H177-H210 AromaticContact NE2-CD2 3.17Å; H177-H210 PolarHBondContact NE2-CD2 3.28Å; H177-H210 AromaticContact NE2-NE2 2.84Å; H177-H210 PolarHBondContact NE2-NE2 3.42Å; H177-H214 AromaticContact CE1-CD2 3.51Å; H177-H214 AromaticContact CE1-NE2 3.28Å; H177-H214 PolarHBondContact CE1-NE2 3.47Å; H177-H214 VanDerWaalsContact CE1-NE2 3.28Å; H177-H214 AromaticContact NE2-NE2 3.57Å; H177-H378 AromaticContact CD2-CE1 3.71Å; H177-H378 AromaticContact CE1-CE1 3.77Å; H177-H378 AromaticContact NE2-CE1 3.3Å; H177-H378 PolarHBondContact NE2-CE1 3.49Å; H177-H378 VanDerWaalsContact NE2-CE1 3.3Å; H177-H378 AromaticContact NE2-NE2 3.71Å; H177-P382 VanDerWaalsContact CB-O 3.23Å; H177-P382 WeakPolarHBondContact CB-O 3.36Å
178L96.3Very high96.4Very high29 Ų2944.7 Ų44.715%0.15221%0.206CC..THydrogen-bonded Turntrans59.826.6-176.7-46.3177.9000113.4P70 D174 F175 G176 N187P70-L178 HydrophobicContact CG-CD1 4.01Å; D174-L178 PolarHBondContact O-N 3.17Å; F175-L178 PolarHBondContact O-N 3.35Å; G176-L178 VanDerWaalsContact C-N 3.29Å; L178-N187 HydrophobicContact CB-CB 4.43Å; L178-N187 HydrophobicContact CD2-CB 3.55Å; L178-N187 PolarHBondContact O-ND2 3.19Å
179S96.1Very high96.4Very high6 Ų648.7 Ų48.74%0.04223%0.226CC..  trans-83.4-16.2-172.469.40000114D174 H177 R383 P385D174-S179 PolarHBondContact O-N 3Å; D174-S179 VanDerWaalsContact O-N 3.12Å; D174-S179 PolarHBondContact O-OG 2.97Å; H177-S179 PolarHBondContact O-N 3.24Å; S179-R383 WeakPolarHBondContact CA-O 3.23Å; S179-R383 VanDerWaalsContact CB-O 3.22Å; S179-R383 WeakPolarHBondContact CB-O 3.17Å; S179-P385 WeakPolarHBondContact O-CG 3.38Å
180V97Very high96.4Very high19 Ų1949.7 Ų49.712%0.11523%0.231CC..SBendtrans-94.1-54.2-168.7-173.10000113A121 F126 D174 F175 N187A121-V180 HydrophobicContact CB-CG1 4.41Å; A121-V180 WeakPolarHBondContact CB-O 3.28Å; F126-V180 HydrophobicContact CB-CG1 4.27Å; F126-V180 HydrophobicContact CD1-CG1 4.47Å; F126-V180 HydrophobicContact CD1-CG2 3.91Å; F126-V180 HydrophobicContact CD2-CB 4.5Å; F126-V180 HydrophobicContact CD2-CG1 3.64Å; F126-V180 HydrophobicContact CD2-CG2 4.22Å; F126-V180 HydrophobicContact CE1-CG2 3.77Å; F126-V180 HydrophobicContact CE2-CG1 4.07Å; F126-V180 HydrophobicContact CE2-CG2 4.07Å; F126-V180 HydrophobicContact CG-CG1 3.86Å; F126-V180 HydrophobicContact CG-CG2 4.14Å; F126-V180 HydrophobicContact CZ-CG2 3.83Å; D174-V180 HydrophobicContact CB-CG2 3.84Å; F175-V180 HydrophobicContact CD1-CB 3.72Å; F175-V180 HydrophobicContact CD1-CG1 4.3Å; F175-V180 HydrophobicContact CD1-CG2 3.62Å; F175-V180 HydrophobicContact CE1-CB 3.53Å; F175-V180 HydrophobicContact CE1-CG1 3.59Å; F175-V180 HydrophobicContact CE1-CG2 3.6Å; F175-V180 HydrophobicContact CG-CG2 4.33Å; F175-V180 HydrophobicContact CZ-CG1 4.32Å; F175-V180 HydrophobicContact CZ-CG2 4.29Å; V180-N187 PolarHBondContact N-OD1 3.3Å
181F96.1Very high96.4Very high82 Ų8249.3 Ų49.336%0.3623%0.229SC..  trans-98.1145.5-178.1-63.6-75.6000112.5F175 K183 W186 N187 V190F175-F181 HydrophobicContact CD1-CD2 4.22Å; F175-F181 HydrophobicContact CD1-CE2 4.06Å; F175-F181 HydrophobicContact CE1-CD2 4.01Å; F175-F181 AromaticContact CE1-CE2 3.48Å; F175-F181 HydrophobicContact CE1-CE2 3.48Å; F175-F181 VanDerWaalsContact CE1-CE2 3.48Å; F175-F181 HydrophobicContact CE1-CZ 4.34Å; F175-F181 HydrophobicContact CZ-CE2 4.42Å; F181-K183 VanDerWaalsContact C-N 3.28Å; F181-K183 PolarHBondContact O-N 3.03Å; F181-W186 HydrophobicContact CB-CB 3.8Å; F181-W186 HydrophobicContact CD1-CB 4.14Å; F181-W186 HydrophobicContact CD2-CB 3.68Å; F181-W186 HydrophobicContact CE2-CB 4.24Å; F181-W186 HydrophobicContact CG-CB 3.61Å; F181-N187 PolarHBondContact N-ND2 3.32Å; F181-N187 PolarHBondContact N-OD1 3.39Å; F181-N187 PolarHBondContact O-ND2 3.16Å; F181-V190 HydrophobicContact CE2-CB 4.2Å; F181-V190 HydrophobicContact CE2-CG2 3.72Å; F181-V190 HydrophobicContact CZ-CG2 4.22Å
182K91.5Very high96.4Very high219 Ų21952 Ų5295%0.95224%0.241SC*.SBendtrans-60.2-35.9173.1-65.9-176179.2179.60113.3
183K92Very high96.4Very high138 Ų13854.4 Ų54.460%0.625%0.252SS*.SBendtrans-99.7120.5178.6-62.9-175.8178.5-179.80109.2F181 K185 W186F181-K183 VanDerWaalsContact C-N 3.28Å; F181-K183 PolarHBondContact O-N 3.03Å; K183-K185 HydrophobicContact CB-CG 4.16Å; K183-K185 PolarHBondContact O-N 3.15Å; K183-K185 VanDerWaalsContact O-N 3.1Å; K183-W186 PolarHBondContact O-N 3.38Å
184S92.2Very high96.4Very high59 Ų5953.6 Ų53.641%0.41325%0.248SC..Hα-helixtrans-52.5-34.8-179.457.30000113.6W186 N187 H188S184-W186 PolarHBondContact O-N 2.84Å; S184-N187 WeakPolarHBondContact O-CB 3.14Å; S184-N187 PolarHBondContact O-N 2.95Å; S184-N187 VanDerWaalsContact O-N 3.1Å; S184-H188 PolarHBondContact O-CD2 3.24Å; S184-H188 PolarHBondContact O-N 3.09Å
185K94.6Very high96.4Very high129 Ų12953.7 Ų53.756%0.56125%0.249SC*.Hα-helixtrans-53.5-37.617772.7176.6-170.8166.90113.8K183 L189K183-K185 HydrophobicContact CB-CG 4.16Å; K183-K185 PolarHBondContact O-N 3.15Å; K183-K185 VanDerWaalsContact O-N 3.1Å; K185-L189 PolarHBondContact O-N 2.86Å; K185-L189 VanDerWaalsContact O-N 3.09Å
186W96.4Very high96.4Very high126 Ų12653.4 Ų53.448%0.47725%0.247SC..Hα-helixtrans-76.8-37.9-179.9-73.9121.4000111.3F181 K183 S184 L189 V190F181-W186 HydrophobicContact CB-CB 3.8Å; F181-W186 HydrophobicContact CD1-CB 4.14Å; F181-W186 HydrophobicContact CD2-CB 3.68Å; F181-W186 HydrophobicContact CE2-CB 4.24Å; F181-W186 HydrophobicContact CG-CB 3.61Å; K183-W186 PolarHBondContact O-N 3.38Å; S184-W186 PolarHBondContact O-N 2.84Å; W186-L189 HydrophobicContact CE3-CD2 3.88Å; W186-L189 HydrophobicContact CZ3-CD2 3.71Å; W186-L189 PolarHBondContact O-N 3.14Å; W186-V190 WeakPolarHBondContact O-CG2 3.32Å; W186-V190 PolarHBondContact O-N 3.12Å
187N97Very high96.5Very high1 Ų155.4 Ų55.41%0.00526%0.257CS..Hα-helixtrans-58.7-48.9171-70.8-57.7000110.7L178 V180 F181 S184 L189 V190 H191L178-N187 HydrophobicContact CB-CB 4.43Å; L178-N187 HydrophobicContact CD2-CB 3.55Å; L178-N187 PolarHBondContact O-ND2 3.19Å; V180-N187 PolarHBondContact N-OD1 3.3Å; F181-N187 PolarHBondContact N-ND2 3.32Å; F181-N187 PolarHBondContact N-OD1 3.39Å; F181-N187 PolarHBondContact O-ND2 3.16Å; S184-N187 WeakPolarHBondContact O-CB 3.14Å; S184-N187 PolarHBondContact O-N 2.95Å; S184-N187 VanDerWaalsContact O-N 3.1Å; N187-L189 PolarHBondContact O-N 2.95Å; N187-V190 PolarHBondContact O-N 2.9Å; N187-H191 WeakPolarHBondContact O-CA 3.2Å; N187-H191 WeakPolarHBondContact O-CB 3.4Å; N187-H191 PolarHBondContact O-N 3.46Å
188H96.5Very high96.5Very high69 Ų6954.8 Ų54.832%0.31925%0.254SS..Hα-helixtrans-62.5-39.5179.1-69.1-54.6000113.7S184 K192S184-H188 PolarHBondContact O-CD2 3.24Å; S184-H188 PolarHBondContact O-N 3.09Å; H188-K192 WeakPolarHBondContact O-CB 3.42Å; H188-K192 VanDerWaalsContact O-CG 3.29Å; H188-K192 WeakPolarHBondContact O-CG 3.41Å; H188-K192 PolarHBondContact O-N 2.76Å
189L98Very high96.5Very high84 Ų8454.3 Ų54.344%0.4425%0.251SS..Hα-helixtrans-63.8-50.6177.6179.164.1000111.1K185 W186 N187 K192 F193K185-L189 PolarHBondContact O-N 2.86Å; K185-L189 VanDerWaalsContact O-N 3.09Å; W186-L189 HydrophobicContact CE3-CD2 3.88Å; W186-L189 HydrophobicContact CZ3-CD2 3.71Å; W186-L189 PolarHBondContact O-N 3.14Å; N187-L189 PolarHBondContact O-N 2.95Å; L189-K192 PolarHBondContact O-N 3.22Å; L189-F193 PolarHBondContact O-N 3.12Å; L189-F193 VanDerWaalsContact O-N 3.08Å
190V98.2Very high96.5Very high28 Ų2854.1 Ų54.117%0.1725%0.25CC..Hα-helixtrans-71.2-34.5-178.4-175.80000111.1F175 F181 W186 N187 K192 F193 V194F175-V190 HydrophobicContact CD1-CB 4.1Å; F175-V190 HydrophobicContact CD1-CG1 4.13Å; F175-V190 HydrophobicContact CD2-CB 4.42Å; F175-V190 HydrophobicContact CD2-CG1 3.81Å; F175-V190 HydrophobicContact CE1-CB 4.04Å; F175-V190 HydrophobicContact CE1-CG1 3.76Å; F175-V190 HydrophobicContact CE2-CB 4.35Å; F175-V190 HydrophobicContact CE2-CG1 3.4Å; F175-V190 HydrophobicContact CG-CB 4.31Å; F175-V190 HydrophobicContact CG-CG1 4.17Å; F175-V190 HydrophobicContact CZ-CB 4.19Å; F175-V190 HydrophobicContact CZ-CG1 3.39Å; F181-V190 HydrophobicContact CE2-CB 4.2Å; F181-V190 HydrophobicContact CE2-CG2 3.72Å; F181-V190 HydrophobicContact CZ-CG2 4.22Å; W186-V190 WeakPolarHBondContact O-CG2 3.32Å; W186-V190 PolarHBondContact O-N 3.12Å; N187-V190 PolarHBondContact O-N 2.9Å; V190-K192 PolarHBondContact O-N 3.15Å; V190-F193 PolarHBondContact O-N 2.95Å; V190-V194 HydrophobicContact CG1-CG2 4.03Å; V190-V194 WeakPolarHBondContact O-CG2 3.44Å; V190-V194 PolarHBondContact O-N 2.74Å
191H98.4Very high96.4Very high1 Ų153.8 Ų53.81%0.00525%0.249CC..Hα-helixtrans-54.6-54171.6-178-151.5000111Q172 F175 N187 F193 V194 I195 W206 N207Q172-H191 PolarHBondContact O-CD2 3.1Å; Q172-H191 PolarHBondContact OE1-CD2 3.48Å; Q172-H191 VanDerWaalsContact OE1-CD2 3.31Å; Q172-H191 PolarHBondContact OE1-NE2 3.3Å; F175-H191 HydrophobicContact CB-CB 3.69Å; N187-H191 WeakPolarHBondContact O-CA 3.2Å; N187-H191 WeakPolarHBondContact O-CB 3.4Å; N187-H191 PolarHBondContact O-N 3.46Å; H191-F193 VanDerWaalsContact C-N 3.31Å; H191-F193 PolarHBondContact O-N 2.92Å; H191-V194 PolarHBondContact O-N 3.2Å; H191-I195 WeakPolarHBondContact O-CG2 3.27Å; H191-I195 PolarHBondContact O-N 3.1Å; H191-W206 AromaticContact CE1-CE3 3.62Å; H191-W206 AromaticContact NE2-CE3 3.63Å; H191-N207 PolarHBondContact CE1-OD1 3.41Å
192K98.3Very high96.5Very high56 Ų5649.9 Ų49.924%0.24323%0.231CC..Hα-helixtrans-59.4-39.2177.2-73.8173.4-178-109.90112.8H188 L189 V190 G196 A203 V287 D288H188-K192 WeakPolarHBondContact O-CB 3.42Å; H188-K192 VanDerWaalsContact O-CG 3.29Å; H188-K192 WeakPolarHBondContact O-CG 3.41Å; H188-K192 PolarHBondContact O-N 2.76Å; L189-K192 PolarHBondContact O-N 3.22Å; V190-K192 PolarHBondContact O-N 3.15Å; K192-G196 WeakPolarHBondContact O-CA 3.45Å; K192-G196 PolarHBondContact O-N 2.93Å; K192-A203 HydrophobicContact CG-CB 3.69Å; K192-V287 HydrophobicContact CD-CG1 4.12Å; K192-D288 IonicContact NZ-OD1 2.8Å; K192-D288 PolarHBondContact NZ-OD1 3.4Å
193F98.4Very high96.7Very high58 Ų5839.5 Ų39.525%0.25419%0.187SC..Iπ-helixtrans-63.8-52174.5172-103.1000111.6L130 L189 V190 H191 H197 L198 W291L130-F193 HydrophobicContact CD1-CE1 4.34Å; L189-F193 PolarHBondContact O-N 3.12Å; L189-F193 VanDerWaalsContact O-N 3.08Å; V190-F193 PolarHBondContact O-N 2.95Å; H191-F193 VanDerWaalsContact C-N 3.31Å; H191-F193 PolarHBondContact O-N 2.92Å; F193-H197 HydrophobicContact CD2-CB 3.75Å; F193-H197 HydrophobicContact CE2-CB 3.91Å; F193-H197 AromaticContact CE2-CD2 3.43Å; F193-H197 VanDerWaalsContact CE2-CD2 3.43Å; F193-H197 WeakPolarHBondContact CE2-CD2 3.09Å; F193-H197 AromaticContact CE2-CG 3.85Å; F193-H197 WeakPolarHBondContact O-CA 3.2Å; F193-H197 WeakPolarHBondContact O-CB 3.37Å; F193-H197 PolarHBondContact O-N 3.27Å; F193-L198 HydrophobicContact CE1-CD1 3.92Å; F193-L198 HydrophobicContact CE1-CD2 4.41Å; F193-L198 HydrophobicContact CE1-CG 4.17Å; F193-L198 HydrophobicContact CZ-CD1 4.4Å; F193-L198 HydrophobicContact CZ-CD2 4.07Å; F193-L198 HydrophobicContact CZ-CG 4.27Å; F193-L198 PolarHBondContact O-N 3Å; F193-W291 HydrophobicContact CB-CH2 4.41Å; F193-W291 HydrophobicContact CD2-CE3 4.49Å; F193-W291 AromaticContact CD2-CH2 3.85Å; F193-W291 HydrophobicContact CD2-CH2 3.85Å; F193-W291 AromaticContact CD2-CZ3 3.7Å; F193-W291 HydrophobicContact CD2-CZ3 3.7Å; F193-W291 HydrophobicContact CE2-CZ3 4.45Å
194V98.6Very high96.8Very high0 Ų034.4 Ų34.40%017%0.169CC..Iπ-helixtrans-67.3-49.7-175.6-178.60000111.3A168 L171 Q172 F175 V190 H191 L198 K199A168-V194 HydrophobicContact CB-CG1 4.07Å; A168-V194 WeakPolarHBondContact O-CG1 3.47Å; L171-V194 HydrophobicContact CB-CG1 4.28Å; L171-V194 HydrophobicContact CD2-CG1 4.33Å; L171-V194 HydrophobicContact CD2-CG2 4.23Å; L171-V194 HydrophobicContact CG-CG1 4.32Å; L171-V194 HydrophobicContact CG-CG2 4.49Å; Q172-V194 HydrophobicContact CB-CB 4.03Å; Q172-V194 HydrophobicContact CB-CG1 3.78Å; F175-V194 HydrophobicContact CD2-CG2 4.26Å; F175-V194 HydrophobicContact CE2-CG2 4.1Å; V190-V194 HydrophobicContact CG1-CG2 4.03Å; V190-V194 WeakPolarHBondContact O-CG2 3.44Å; V190-V194 PolarHBondContact O-N 2.74Å; H191-V194 PolarHBondContact O-N 3.2Å; V194-L198 HydrophobicContact CG1-CD1 4.4Å; V194-L198 WeakPolarHBondContact O-CB 3.37Å; V194-L198 PolarHBondContact O-N 3.44Å; V194-K199 PolarHBondContact O-N 3.33Å
195I98.1Very high97Very high3 Ų332.4 Ų32.42%0.01515%0.152CC..Iπ-helixtrans-72.9-36.6179.6-163.5176.5000112.2Q172 H191 K199 G200 A201 A203 W206Q172-I195 HydrophobicContact CB-CB 3.9Å; Q172-I195 HydrophobicContact CG-CB 3.94Å; Q172-I195 HydrophobicContact CG-CD1 4.36Å; Q172-I195 HydrophobicContact CG-CG1 4.13Å; H191-I195 WeakPolarHBondContact O-CG2 3.27Å; H191-I195 PolarHBondContact O-N 3.1Å; I195-K199 CarbonylContact O-C 3.44Å; I195-K199 WeakPolarHBondContact O-CB 3.47Å; I195-G200 PolarHBondContact O-N 3.25Å; I195-A201 CarbonylContact C-O 3.55Å; I195-A201 VanDerWaalsContact C-O 3.26Å; I195-A201 HydrophobicContact CD1-CB 4.12Å; I195-A201 HydrophobicContact CG1-CB 3.81Å; I195-A201 PolarHBondContact O-N 2.87Å; I195-A201 VanDerWaalsContact O-O 3.11Å; I195-A203 HydrophobicContact CG2-CB 3.76Å; I195-W206 HydrophobicContact CD1-CB 3.52Å; I195-W206 HydrophobicContact CD1-CG 3.92Å
196G97.9Very high97.1Very high1 Ų127.3 Ų27.31%0.0113%0.129CC..Iπ-helixtrans-83.8-60.5-175.200000113K192 G200 A201 W291 F295K192-G196 WeakPolarHBondContact O-CA 3.45Å; K192-G196 PolarHBondContact O-N 2.93Å; G196-G200 VanDerWaalsContact O-CA 3.23Å; G196-G200 WeakPolarHBondContact O-CA 3.46Å; G196-G200 PolarHBondContact O-N 3.38Å; G196-A201 WeakPolarHBondContact CA-O 3.42Å; G196-A201 PolarHBondContact N-O 2.87Å; G196-W291 CarbonylContact C-O 3.26Å; G196-F295 WeakPolarHBondContact O-CB 3.13Å
197H98.2Very high97Very high42 Ų4222.2 Ų22.219%0.19411%0.111CC..Iπ-helixtrans-74.2-39.4-175.5-170.462.4000113.8F193 W291 S294 F295 R298F193-H197 HydrophobicContact CD2-CB 3.75Å; F193-H197 HydrophobicContact CE2-CB 3.91Å; F193-H197 AromaticContact CE2-CD2 3.43Å; F193-H197 VanDerWaalsContact CE2-CD2 3.43Å; F193-H197 WeakPolarHBondContact CE2-CD2 3.09Å; F193-H197 AromaticContact CE2-CG 3.85Å; F193-H197 WeakPolarHBondContact O-CA 3.2Å; F193-H197 WeakPolarHBondContact O-CB 3.37Å; F193-H197 PolarHBondContact O-N 3.27Å; H197-W291 HydrophobicContact CB-CE3 3.65Å; H197-W291 HydrophobicContact CB-CZ3 3.87Å; H197-S294 PolarHBondContact ND1-OG 3.23Å; H197-F295 WeakPolarHBondContact O-CA 3.44Å; H197-F295 WeakPolarHBondContact O-CB 3.33Å; H197-F295 WeakPolarHBondContact O-CD2 3.38Å; H197-R298 PolarHBondContact O-NH2 3.24Å
198L97.6Very high96.8Very high1 Ų123.9 Ų23.91%0.00512%0.119CC..Iπ-helixtrans-90.4-33.7-175.5-53.3-179000112.2L130 I133 L134 Q165 A168 F193 V194 F295L130-L198 HydrophobicContact CD1-CD1 4Å; I133-L198 HydrophobicContact CG2-CD1 3.95Å; L134-L198 HydrophobicContact CD2-CD1 4.32Å; L134-L198 HydrophobicContact CD2-CD2 3.9Å; Q165-L198 PolarHBondContact NE2-O 3.43Å; A168-L198 HydrophobicContact CB-CB 4.47Å; F193-L198 HydrophobicContact CE1-CD1 3.92Å; F193-L198 HydrophobicContact CE1-CD2 4.41Å; F193-L198 HydrophobicContact CE1-CG 4.17Å; F193-L198 HydrophobicContact CZ-CD1 4.4Å; F193-L198 HydrophobicContact CZ-CD2 4.07Å; F193-L198 HydrophobicContact CZ-CG 4.27Å; F193-L198 PolarHBondContact O-N 3Å; V194-L198 HydrophobicContact CG1-CD1 4.4Å; V194-L198 WeakPolarHBondContact O-CB 3.37Å; V194-L198 PolarHBondContact O-N 3.44Å; L198-F295 VanDerWaalsContact O-CD2 3.26Å; L198-F295 WeakPolarHBondContact O-CD2 3.35Å; L198-F295 WeakPolarHBondContact O-CE2 3.31Å
199K95.3Very high96.6Very high19 Ų1922.6 Ų22.68%0.08311%0.114CC..THydrogen-bonded Turntrans-108.8-19.1-175.9-172.3176.6-179.865.70114.4Q165 V194 I195 R320 E323Q165-K199 PolarHBondContact O-NZ 2.97Å; Q165-K199 PolarHBondContact OE1-O 3Å; V194-K199 PolarHBondContact O-N 3.33Å; I195-K199 CarbonylContact O-C 3.44Å; I195-K199 WeakPolarHBondContact O-CB 3.47Å; K199-R320 VanDerWaalsContact O-CZ 3.23Å; K199-R320 PolarHBondContact O-NH1 3.07Å; K199-R320 PolarHBondContact O-NH2 2.85Å; K199-E323 IonicContact NZ-OE1 3.53Å; K199-E323 PolarHBondContact NZ-OE1 2.72Å; K199-E323 IonicContact NZ-OE2 3.95Å; K199-E323 PolarHBondContact NZ-OE2 3.04Å
200G95.6Very high96.5Very high2 Ų219.6 Ų19.62%0.02110%0.098CC..  trans70.843.1-178.700000113.7I195 G196 Y292I195-G200 PolarHBondContact O-N 3.25Å; G196-G200 VanDerWaalsContact O-CA 3.23Å; G196-G200 WeakPolarHBondContact O-CA 3.46Å; G196-G200 PolarHBondContact O-N 3.38Å; G200-Y292 WeakPolarHBondContact O-CD2 3.34Å; G200-Y292 WeakPolarHBondContact O-CE2 3.33Å
201A96.4Very high96.4Very high11 Ų1120.5 Ų20.59%0.09110%0.098CC..  trans-138.1162.6172.600000111.5I195 G196I195-A201 CarbonylContact C-O 3.55Å; I195-A201 VanDerWaalsContact C-O 3.26Å; I195-A201 HydrophobicContact CD1-CB 4.12Å; I195-A201 HydrophobicContact CG1-CB 3.81Å; I195-A201 PolarHBondContact O-N 2.87Å; I195-A201 VanDerWaalsContact O-O 3.11Å; G196-A201 WeakPolarHBondContact CA-O 3.42Å; G196-A201 PolarHBondContact N-O 2.87Å
202A96.7Very high96.3Very high0 Ų020.9 Ų20.90%010%0.101CC..  trans-92.1127.8-174.100000111.7S204 W205 W206 N276 M280 D288A202-S204 VanDerWaalsContact C-N 3.29Å; A202-S204 PolarHBondContact O-N 2.97Å; A202-W205 HydrophobicContact CB-CB 3.97Å; A202-W205 PolarHBondContact O-N 3.5Å; A202-W206 PolarHBondContact O-N 2.87Å; A202-W206 VanDerWaalsContact O-N 3.08Å; A202-N276 WeakPolarHBondContact CB-OD1 3.06Å; A202-N276 PolarHBondContact N-OD1 3.18Å; A202-M280 HydrophobicContact CB-CE 4.49Å; A202-M280 HydrophobicContact CB-CG 3.66Å; A202-M280 HydrophobicContact CB-SD 3.7Å; A202-D288 HydrophobicContact CB-CB 3.95Å
203A96.8Very high96.2Very high2 Ų218.4 Ų18.42%0.0179%0.09CC..Hα-helixtrans-57.3-43.6175.100000111.6K192 I195 W205 W206 N207 D288K192-A203 HydrophobicContact CG-CB 3.69Å; I195-A203 HydrophobicContact CG2-CB 3.76Å; A203-W205 PolarHBondContact O-N 3.09Å; A203-W206 PolarHBondContact O-N 3.26Å; A203-N207 WeakPolarHBondContact O-CB 3.15Å; A203-N207 VanDerWaalsContact O-CG 3.3Å; A203-N207 PolarHBondContact O-N 3.41Å; A203-N207 PolarHBondContact O-OD1 3.24Å; A203-D288 PolarHBondContact N-OD2 3.45Å
204S94.6Very high96.1Very high31 Ų3115.7 Ų15.722%0.2178%0.078CC..Hα-helixtrans-64.8-35.9179.656.50000113.8A202 H208 N285 D288A202-S204 VanDerWaalsContact C-N 3.29Å; A202-S204 PolarHBondContact O-N 2.97Å; S204-H208 WeakPolarHBondContact O-CB 3.25Å; S204-H208 PolarHBondContact O-N 3.26Å; S204-H208 VanDerWaalsContact O-N 3.13Å; S204-N285 WeakPolarHBondContact CB-ND2 3.29Å; S204-N285 PolarHBondContact OG-ND2 3.28Å; S204-D288 WeakPolarHBondContact CB-OD2 3.15Å; S204-D288 PolarHBondContact N-OD2 3.15Å; S204-D288 PolarHBondContact OG-OD2 3.31Å
205W95.4Very high96Very high16 Ų1615.7 Ų15.76%0.0618%0.078CC..Hα-helixtrans-65.5-49.9173.6164.183.7000110.2A202 A203 H208 L209 F272 N276 V279A202-W205 HydrophobicContact CB-CB 3.97Å; A202-W205 PolarHBondContact O-N 3.5Å; A203-W205 PolarHBondContact O-N 3.09Å; W205-H208 PolarHBondContact O-N 3.28Å; W205-L209 HydrophobicContact CD2-CD1 4.31Å; W205-L209 VanDerWaalsContact CE2-CD1 3.47Å; W205-L209 HydrophobicContact CH2-CD1 4.44Å; W205-L209 HydrophobicContact CZ2-CD1 3.55Å; W205-L209 PolarHBondContact O-N 3.03Å; W205-F272 HydrophobicContact CH2-CB 4.01Å; W205-F272 AromaticContact CH2-CD1 3.94Å; W205-F272 HydrophobicContact CH2-CD1 3.94Å; W205-F272 AromaticContact CH2-CD2 3.48Å; W205-F272 HydrophobicContact CH2-CD2 3.48Å; W205-F272 VanDerWaalsContact CH2-CD2 3.48Å; W205-F272 HydrophobicContact CH2-CE1 4.19Å; W205-F272 AromaticContact CH2-CE2 3.77Å; W205-F272 HydrophobicContact CH2-CE2 3.77Å; W205-F272 AromaticContact CH2-CG 3.56Å; W205-F272 HydrophobicContact CH2-CG 3.56Å; W205-F272 HydrophobicContact CH2-CZ 4.1Å; W205-F272 HydrophobicContact CZ2-CB 3.95Å; W205-F272 AromaticContact CZ2-CD1 3.51Å; W205-F272 HydrophobicContact CZ2-CD1 3.51Å; W205-F272 AromaticContact CZ2-CD2 3.95Å; W205-F272 HydrophobicContact CZ2-CD2 3.95Å; W205-F272 AromaticContact CZ2-CE1 3.85Å; W205-F272 HydrophobicContact CZ2-CE1 3.85Å; W205-F272 HydrophobicContact CZ2-CE2 4.27Å; W205-F272 AromaticContact CZ2-CG 3.55Å; W205-F272 HydrophobicContact CZ2-CG 3.55Å; W205-F272 HydrophobicContact CZ2-CZ 4.21Å; W205-N276 VanDerWaalsContact CD2-ND2 3.26Å; W205-N276 VanDerWaalsContact CE3-ND2 3.27Å; W205-V279 HydrophobicContact CB-CB 4.34Å; W205-V279 HydrophobicContact CB-CG1 4.15Å
206W96.3Very high95.9Very high23 Ų2315.7 Ų15.79%0.0878%0.078CC..Hα-helixtrans-60.8-50179.6-178.185.5000111.6Q172 H173 H177 H191 I195 A202 A203 H208 L209 H210Q172-W206 VanDerWaalsContact NE2-CE2 3.33Å; H173-W206 HydrophobicContact CB-CZ2 4.11Å; H173-W206 AromaticContact CD2-CZ2 3.46Å; H173-W206 VanDerWaalsContact CD2-CZ2 3.46Å; H173-W206 WeakPolarHBondContact CD2-CZ2 3.27Å; H173-W206 AromaticContact CG-CZ2 3.96Å; H177-W206 AromaticContact NE2-CH2 3.88Å; H191-W206 AromaticContact CE1-CE3 3.62Å; H191-W206 AromaticContact NE2-CE3 3.63Å; I195-W206 HydrophobicContact CD1-CB 3.52Å; I195-W206 HydrophobicContact CD1-CG 3.92Å; A202-W206 PolarHBondContact O-N 2.87Å; A202-W206 VanDerWaalsContact O-N 3.08Å; A203-W206 PolarHBondContact O-N 3.26Å; W206-H208 VanDerWaalsContact C-N 3.26Å; W206-H208 PolarHBondContact O-N 3.11Å; W206-L209 PolarHBondContact O-N 3.35Å; W206-H210 HydrophobicContact CD2-CB 4.15Å; W206-H210 AromaticContact CE2-CG 3.81Å; W206-H210 HydrophobicContact CE3-CB 4.27Å; W206-H210 HydrophobicContact CH2-CB 4.04Å; W206-H210 AromaticContact CH2-CD2 3.14Å; W206-H210 WeakPolarHBondContact CH2-CD2 3.49Å; W206-H210 AromaticContact CH2-CG 3.63Å; W206-H210 AromaticContact CH2-NE2 3.78Å; W206-H210 HydrophobicContact CZ2-CB 3.86Å; W206-H210 AromaticContact CZ2-CD2 3.21Å; W206-H210 WeakPolarHBondContact CZ2-CD2 3.44Å; W206-H210 AromaticContact CZ2-CE1 3.93Å; W206-H210 AromaticContact CZ2-CG 3.33Å; W206-H210 AromaticContact CZ2-ND1 3.78Å; W206-H210 AromaticContact CZ2-NE2 3.57Å; W206-H210 HydrophobicContact CZ3-CB 4.21Å; W206-H210 AromaticContact CZ3-CD2 3.98Å; W206-H210 WeakPolarHBondContact O-CB 3.48Å; W206-H210 PolarHBondContact O-N 3.07Å
207N94.7Very high95.9Very high18 Ų1815.8 Ų15.810%0.0968%0.078CC..Hα-helixtrans-57.3-41.4178.2-74.4133.7000111.6G176 H191 A203 Y211G176-N207 PolarHBondContact O-ND2 3.13Å; H191-N207 PolarHBondContact CE1-OD1 3.41Å; A203-N207 WeakPolarHBondContact O-CB 3.15Å; A203-N207 VanDerWaalsContact O-CG 3.3Å; A203-N207 PolarHBondContact O-N 3.41Å; A203-N207 PolarHBondContact O-OD1 3.24Å; N207-Y211 HydrophobicContact CB-CD2 4.21Å; N207-Y211 HydrophobicContact CB-CE2 3.73Å; N207-Y211 PolarHBondContact ND2-OH 3.37Å; N207-Y211 VanDerWaalsContact ND2-OH 3.08Å; N207-Y211 VanDerWaalsContact O-CB 3.23Å; N207-Y211 WeakPolarHBondContact O-CB 3.29Å; N207-Y211 WeakPolarHBondContact O-CD2 3.15Å; N207-Y211 PolarHBondContact O-N 3.31Å
208H91.8Very high95.8Very high37 Ų3714 Ų1417%0.1717%0.07CC..Hα-helixtrans-62.4-48.6-179.2-178.651.9000112.2S204 W205 W206 N212 R283S204-H208 WeakPolarHBondContact O-CB 3.25Å; S204-H208 PolarHBondContact O-N 3.26Å; S204-H208 VanDerWaalsContact O-N 3.13Å; W205-H208 PolarHBondContact O-N 3.28Å; W206-H208 VanDerWaalsContact C-N 3.26Å; W206-H208 PolarHBondContact O-N 3.11Å; H208-N212 PolarHBondContact O-ND2 2.86Å; H208-R283 PolarHBondContact NE2-NH2 3.03Å
209L93.3Very high95.8Very high41 Ų4114.4 Ų14.422%0.2157%0.073CC..Hα-helixtrans-67-51.2178.8-64.5178.9000110.7W205 W206 Y211 N212 H213 P224W205-L209 HydrophobicContact CD2-CD1 4.31Å; W205-L209 VanDerWaalsContact CE2-CD1 3.47Å; W205-L209 HydrophobicContact CH2-CD1 4.44Å; W205-L209 HydrophobicContact CZ2-CD1 3.55Å; W205-L209 PolarHBondContact O-N 3.03Å; W206-L209 PolarHBondContact O-N 3.35Å; L209-Y211 VanDerWaalsContact C-N 3.35Å; L209-Y211 PolarHBondContact O-N 3.27Å; L209-N212 WeakPolarHBondContact O-CB 3.32Å; L209-N212 PolarHBondContact O-N 3.02Å; L209-H213 PolarHBondContact O-N 2.81Å; L209-P224 HydrophobicContact CB-CG 4.28Å; L209-P224 HydrophobicContact CD2-CB 3.89Å; L209-P224 HydrophobicContact CD2-CG 4.23Å; L209-P224 WeakPolarHBondContact O-CG 3.38Å
210H95.9Very high95.8Very high22 Ų2214 Ų1410%0.1027%0.072CC..Hα-helixtrans-64.5-36.6-172.1-157.565.4000113.1H173 H177 W206 N212 H213 H214H173-H210 AromaticContact CD2-CE1 3.86Å; H173-H210 AromaticContact CD2-NE2 3.6Å; H173-H210 AromaticContact NE2-CE1 3.64Å; H173-H210 AromaticContact NE2-NE2 3.3Å; H173-H210 PolarHBondContact NE2-NE2 2.88Å; H177-H210 AromaticContact CE1-CD2 3.37Å; H177-H210 PolarHBondContact CE1-CD2 2.85Å; H177-H210 AromaticContact CE1-NE2 3.36Å; H177-H210 PolarHBondContact CE1-NE2 3.43Å; H177-H210 AromaticContact NE2-CD2 3.17Å; H177-H210 PolarHBondContact NE2-CD2 3.28Å; H177-H210 AromaticContact NE2-NE2 2.84Å; H177-H210 PolarHBondContact NE2-NE2 3.42Å; W206-H210 HydrophobicContact CD2-CB 4.15Å; W206-H210 AromaticContact CE2-CG 3.81Å; W206-H210 HydrophobicContact CE3-CB 4.27Å; W206-H210 HydrophobicContact CH2-CB 4.04Å; W206-H210 AromaticContact CH2-CD2 3.14Å; W206-H210 WeakPolarHBondContact CH2-CD2 3.49Å; W206-H210 AromaticContact CH2-CG 3.63Å; W206-H210 AromaticContact CH2-NE2 3.78Å; W206-H210 HydrophobicContact CZ2-CB 3.86Å; W206-H210 AromaticContact CZ2-CD2 3.21Å; W206-H210 WeakPolarHBondContact CZ2-CD2 3.44Å; W206-H210 AromaticContact CZ2-CE1 3.93Å; W206-H210 AromaticContact CZ2-CG 3.33Å; W206-H210 AromaticContact CZ2-ND1 3.78Å; W206-H210 AromaticContact CZ2-NE2 3.57Å; W206-H210 HydrophobicContact CZ3-CB 4.21Å; W206-H210 AromaticContact CZ3-CD2 3.98Å; W206-H210 WeakPolarHBondContact O-CB 3.48Å; W206-H210 PolarHBondContact O-N 3.07Å; H210-N212 VanDerWaalsContact C-N 3.35Å; H210-N212 PolarHBondContact O-N 3.27Å; H210-H213 WeakPolarHBondContact O-CB 3.41Å; H210-H213 PolarHBondContact O-N 3.3Å; H210-H214 AromaticContact CD2-CD2 3.42Å; H210-H214 PolarHBondContact CD2-CD2 2.94Å; H210-H214 VanDerWaalsContact CD2-CD2 3.42Å; H210-H214 AromaticContact CD2-NE2 3.56Å; H210-H214 AromaticContact CE1-CD2 3.81Å; H210-H214 AromaticContact CE1-NE2 3.43Å; H210-H214 PolarHBondContact CE1-NE2 3.37Å; H210-H214 AromaticContact NE2-CD2 3.27Å; H210-H214 PolarHBondContact NE2-CD2 3.36Å; H210-H214 VanDerWaalsContact NE2-CD2 3.27Å; H210-H214 AromaticContact NE2-NE2 2.88Å; H210-H214 PolarHBondContact NE2-NE2 3.24Å; H210-H214 PolarHBondContact O-CD2 3.35Å; H210-H214 VanDerWaalsContact O-CD2 3.31Å; H210-H214 PolarHBondContact O-N 2.9Å
211Y95.6Very high95.6Very high46 Ų4619.5 Ų19.518%0.1811%0.11CC..Hα-helixtrans-66.9-34.5174.8-64.6-19.5000113V52 G176 N207 L209 A215V52-Y211 VanDerWaalsContact CG2-O 3.3Å; V52-Y211 WeakPolarHBondContact CG2-O 3.47Å; G176-Y211 PolarHBondContact O-OH 3.44Å; N207-Y211 HydrophobicContact CB-CD2 4.21Å; N207-Y211 HydrophobicContact CB-CE2 3.73Å; N207-Y211 PolarHBondContact ND2-OH 3.37Å; N207-Y211 VanDerWaalsContact ND2-OH 3.08Å; N207-Y211 VanDerWaalsContact O-CB 3.23Å; N207-Y211 WeakPolarHBondContact O-CB 3.29Å; N207-Y211 WeakPolarHBondContact O-CD2 3.15Å; N207-Y211 PolarHBondContact O-N 3.31Å; L209-Y211 VanDerWaalsContact C-N 3.35Å; L209-Y211 PolarHBondContact O-N 3.27Å; Y211-A215 VanDerWaalsContact O-CB 3.29Å; Y211-A215 WeakPolarHBondContact O-CB 3.28Å; Y211-A215 PolarHBondContact O-N 3.29Å
212N95.9Very high95.5Very high10 Ų1020.8 Ų20.85%0.05311%0.113CC..Hα-helixtrans-68.3-41.9174.5-75.8-77.8000110.9H51 V52 H55 H208 L209 H210 A215 K216 P224H51-N212 VanDerWaalsContact CB-OD1 3.25Å; H51-N212 WeakPolarHBondContact CB-OD1 3.04Å; V52-N212 PolarHBondContact N-OD1 3.12Å; H55-N212 PolarHBondContact NE2-OD1 2.95Å; H55-N212 VanDerWaalsContact NE2-OD1 3.11Å; H208-N212 PolarHBondContact O-ND2 2.86Å; L209-N212 WeakPolarHBondContact O-CB 3.32Å; L209-N212 PolarHBondContact O-N 3.02Å; H210-N212 VanDerWaalsContact C-N 3.35Å; H210-N212 PolarHBondContact O-N 3.27Å; N212-A215 PolarHBondContact O-N 3.45Å; N212-K216 PolarHBondContact O-N 3.45Å; N212-P224 HydrophobicContact CB-CG 4.08Å
213H97.1Very high95.5Very high3 Ų320.9 Ų20.91%0.01411%0.113CC..Hα-helixtrans-56-52.9174.6174.267.7000111.3L209 H210 A215 K216 P217 D223 D225 H335 H379L209-H213 PolarHBondContact O-N 2.81Å; H210-H213 WeakPolarHBondContact O-CB 3.41Å; H210-H213 PolarHBondContact O-N 3.3Å; H213-A215 VanDerWaalsContact C-N 3.28Å; H213-A215 PolarHBondContact O-N 3.24Å; H213-K216 CarbonylContact O-C 3.56Å; H213-K216 PolarHBondContact O-N 3.1Å; H213-P217 WeakPolarHBondContact O-CA 3.48Å; H213-P217 VanDerWaalsContact O-CB 3.28Å; H213-P217 WeakPolarHBondContact O-CB 3.5Å; H213-P217 VanDerWaalsContact O-CD 3.23Å; H213-P217 WeakPolarHBondContact O-CD 3.29Å; H213-D223 WeakPolarHBondContact CA-OD1 3.42Å; H213-D223 WeakPolarHBondContact CB-OD1 3.21Å; H213-D223 IonicContact CE1-OD2 3.6Å; H213-D223 IonicContact CG-OD1 3.61Å; H213-D223 VanDerWaalsContact ND1-CG 3.34Å; H213-D223 IonicContact ND1-OD1 2.84Å; H213-D223 PolarHBondContact ND1-OD1 3.06Å; H213-D223 VanDerWaalsContact ND1-OD1 3.09Å; H213-D223 IonicContact ND1-OD2 2.89Å; H213-D223 PolarHBondContact ND1-OD2 2.97Å; H213-D225 IonicContact CD2-OD2 2.77Å; H213-D225 IonicContact CE1-OD2 3.69Å; H213-D225 IonicContact CG-OD2 3.73Å; H213-D225 IonicContact ND1-OD2 2.72Å; H213-D225 PolarHBondContact ND1-OD2 3.34Å; H213-H335 AromaticContact CE1-CE1 3.42Å; H213-H335 PolarHBondContact CE1-CE1 3.36Å; H213-H335 VanDerWaalsContact CE1-CE1 3.42Å; H213-H335 AromaticContact CE1-ND1 3.71Å; H213-H335 AromaticContact CE1-NE2 3.68Å; H213-H335 AromaticContact NE2-CD2 3.98Å; H213-H335 AromaticContact NE2-CE1 3.28Å; H213-H335 PolarHBondContact NE2-CE1 3.03Å; H213-H335 VanDerWaalsContact NE2-CE1 3.28Å; H213-H335 AromaticContact NE2-NE2 3.29Å; H213-H335 PolarHBondContact NE2-NE2 2.8Å; H213-H379 AromaticContact CD2-CE1 3.74Å; H213-H379 AromaticContact NE2-CE1 3.24Å; H213-H379 PolarHBondContact NE2-CE1 2.91Å; H213-H379 AromaticContact NE2-NE2 3.41Å; H213-H379 PolarHBondContact NE2-NE2 2.91Å
214H97Very high95.3Very high1 Ų122.5 Ų22.51%0.00512%0.124CC..Hα-helixtrans-64.7-29.6177.2-83.2-71.8000114.6F68 H177 H210 Q352 H378 H379F68-H214 HydrophobicContact CE1-CB 3.73Å; F68-H214 HydrophobicContact CZ-CB 3.7Å; H177-H214 AromaticContact CE1-CD2 3.51Å; H177-H214 AromaticContact CE1-NE2 3.28Å; H177-H214 PolarHBondContact CE1-NE2 3.47Å; H177-H214 VanDerWaalsContact CE1-NE2 3.28Å; H177-H214 AromaticContact NE2-NE2 3.57Å; H210-H214 AromaticContact CD2-CD2 3.42Å; H210-H214 PolarHBondContact CD2-CD2 2.94Å; H210-H214 VanDerWaalsContact CD2-CD2 3.42Å; H210-H214 AromaticContact CD2-NE2 3.56Å; H210-H214 AromaticContact CE1-CD2 3.81Å; H210-H214 AromaticContact CE1-NE2 3.43Å; H210-H214 PolarHBondContact CE1-NE2 3.37Å; H210-H214 AromaticContact NE2-CD2 3.27Å; H210-H214 PolarHBondContact NE2-CD2 3.36Å; H210-H214 VanDerWaalsContact NE2-CD2 3.27Å; H210-H214 AromaticContact NE2-NE2 2.88Å; H210-H214 PolarHBondContact NE2-NE2 3.24Å; H210-H214 PolarHBondContact O-CD2 3.35Å; H210-H214 VanDerWaalsContact O-CD2 3.31Å; H210-H214 PolarHBondContact O-N 2.9Å; H214-Q352 PolarHBondContact O-NE2 3.45Å; H214-H378 AromaticContact CE1-CD2 3.62Å; H214-H378 AromaticContact CE1-CE1 3.66Å; H214-H378 AromaticContact CE1-NE2 3.03Å; H214-H378 PolarHBondContact CE1-NE2 2.98Å; H214-H378 AromaticContact NE2-CE1 3.73Å; H214-H378 AromaticContact NE2-NE2 3.11Å; H214-H378 PolarHBondContact NE2-NE2 3.4Å; H214-H378 VanDerWaalsContact NE2-NE2 3.11Å; H214-H379 AromaticContact CE1-CD2 3.71Å; H214-H379 AromaticContact CE1-CE1 3.62Å; H214-H379 AromaticContact CE1-CG 3.94Å; H214-H379 AromaticContact CE1-ND1 3.89Å; H214-H379 AromaticContact CE1-NE2 3.5Å; H214-H379 AromaticContact ND1-CE1 3.55Å; H214-H379 AromaticContact ND1-CG 3.89Å; H214-H379 AromaticContact ND1-ND1 3.54Å; H214-H379 AromaticContact ND1-NE2 3.9Å
215A96.1Very high95.3Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-67.4-43.4-179.100000112.4V52 Y56 F68 Y211 N212 H213 M351V52-A215 HydrophobicContact CG2-CB 3.46Å; V52-A215 VanDerWaalsContact CG2-CB 3.46Å; Y56-A215 HydrophobicContact CE2-CB 3.94Å; Y56-A215 PolarHBondContact OH-O 2.93Å; F68-A215 HydrophobicContact CE2-CB 4.42Å; Y211-A215 VanDerWaalsContact O-CB 3.29Å; Y211-A215 WeakPolarHBondContact O-CB 3.28Å; Y211-A215 PolarHBondContact O-N 3.29Å; N212-A215 PolarHBondContact O-N 3.45Å; H213-A215 VanDerWaalsContact C-N 3.28Å; H213-A215 PolarHBondContact O-N 3.24Å; A215-M351 WeakPolarHBondContact O-CE 3.4Å
216K96.3Very high95.1Very high4 Ų423.1 Ų23.12%0.01713%0.126CC..SBendtrans-147.568.3-178.6-67.7-68-1681530109.6H55 E59 N212 H213 V219 K222 D223 E343 M351H55-K216 HydrophobicContact CB-CG 3.9Å; E59-K216 IonicContact OE1-NZ 2.64Å; E59-K216 IonicContact OE2-NZ 3.25Å; E59-K216 PolarHBondContact OE2-NZ 3.09Å; N212-K216 PolarHBondContact O-N 3.45Å; H213-K216 CarbonylContact O-C 3.56Å; H213-K216 PolarHBondContact O-N 3.1Å; K216-V219 HydrophobicContact CB-CB 4.18Å; K216-V219 HydrophobicContact CB-CG2 4.11Å; K216-V219 WeakPolarHBondContact O-CB 3.39Å; K216-V219 PolarHBondContact O-N 3.46Å; K216-K222 HydrophobicContact CB-CB 3.93Å; K216-K222 HydrophobicContact CB-CD 4.03Å; K216-K222 HydrophobicContact CG-CD 3.8Å; K216-D223 WeakPolarHBondContact O-CB 2.84Å; K216-E343 WeakPolarHBondContact CD-OE2 3.4Å; K216-E343 WeakPolarHBondContact CE-OE2 3.18Å; K216-E343 IonicContact NZ-OE1 3.45Å; K216-E343 IonicContact NZ-OE2 3.27Å; K216-E343 PolarHBondContact NZ-OE2 3.35Å; K216-M351 HydrophobicContact CB-SD 4.46Å; K216-M351 HydrophobicContact CD-CE 4Å; K216-M351 HydrophobicContact CD-SD 3.43Å; K216-M351 WeakPolarHBondContact CD-SD 3.17Å
217P96.8Very high94.7Very high2 Ų226.9 Ų26.91%0.01315%0.148CC..THydrogen-bonded Turntrans-65.1146.7-172.928.9-37000111.3H213 V219 D223 A355H213-P217 WeakPolarHBondContact O-CA 3.48Å; H213-P217 VanDerWaalsContact O-CB 3.28Å; H213-P217 WeakPolarHBondContact O-CB 3.5Å; H213-P217 VanDerWaalsContact O-CD 3.23Å; H213-P217 WeakPolarHBondContact O-CD 3.29Å; P217-V219 PolarHBondContact O-N 3.28Å; P217-D223 WeakPolarHBondContact CA-OD2 3.27Å; P217-A355 HydrophobicContact CB-CB 3.79Å; P217-A355 HydrophobicContact CG-CB 3.65Å
218N96.9Very high94.2Very high5 Ų528.3 Ų28.33%0.02716%0.155CC..THydrogen-bonded Turntrans54.814.5-177.5-76.49.1000115.6D223 H335 N339 I340 D341 A355N218-D223 PolarHBondContact N-OD2 2.98Å; N218-H335 PolarHBondContact ND2-O 2.51Å; N218-N339 WeakPolarHBondContact CB-O 3.4Å; N218-N339 PolarHBondContact ND2-O 3.38Å; N218-I340 HydrophobicContact CB-CG1 3.98Å; N218-I340 WeakPolarHBondContact O-CA 3.22Å; N218-D341 PolarHBondContact O-N 2.85Å; N218-A355 HydrophobicContact CB-CB 3.91Å
219V96.9Very high93.7Very high10 Ų1031.4 Ų31.46%0.06118%0.181CC..BIsolated β-bridgetrans-89.8115.8173.2179.40000109.1K216 P217 S221 K222 D223 D341 E343 M351K216-V219 HydrophobicContact CB-CB 4.18Å; K216-V219 HydrophobicContact CB-CG2 4.11Å; K216-V219 WeakPolarHBondContact O-CB 3.39Å; K216-V219 PolarHBondContact O-N 3.46Å; P217-V219 PolarHBondContact O-N 3.28Å; V219-S221 PolarHBondContact O-N 3.02Å; V219-K222 HydrophobicContact CB-CB 4.18Å; V219-K222 HydrophobicContact CG1-CB 4.05Å; V219-K222 HydrophobicContact CG1-CD 3.97Å; V219-K222 HydrophobicContact CG1-CG 4Å; V219-K222 PolarHBondContact O-N 3.2Å; V219-D223 PolarHBondContact O-N 3Å; V219-D341 WeakPolarHBondContact CA-O 3.42Å; V219-E343 HydrophobicContact CG1-CB 3.87Å; V219-M351 HydrophobicContact CG2-SD 4.48Å
220L94.9Very high93.3Very high11 Ų1130 Ų306%0.05818%0.176CC..THydrogen-bonded Turntrans-51.8137.5176.3-66.1176.3000110K222 V226 V237 Q238 I340 D341L220-K222 PolarHBondContact O-N 3.37Å; L220-K222 VanDerWaalsContact O-N 3.16Å; L220-V226 HydrophobicContact CD2-CG2 4.28Å; L220-V237 HydrophobicContact CD1-CB 4.46Å; L220-V237 HydrophobicContact CD1-CG1 4.45Å; L220-Q238 HydrophobicContact CD1-CB 4.06Å; L220-Q238 HydrophobicContact CD2-CB 4.22Å; L220-I340 HydrophobicContact CD2-CG2 3.65Å; L220-I340 HydrophobicContact CG-CG2 4.11Å; L220-D341 PolarHBondContact N-O 3.04Å
221S91.3Very high93.2Very high117 Ų11731.5 Ų31.582%0.81819%0.187SC*.THydrogen-bonded Turntrans70.5-17.3-174.879.90000117.7V219V219-S221 PolarHBondContact O-N 3.02Å
222K94.9Very high93.1Very high37 Ų3730.1 Ų30.116%0.16118%0.181CC..THydrogen-bonded Turntrans-103-37179.1-62-168.2-174.4177.70112.9H55 E59 K216 V219 L220 E343H55-K222 HydrophobicContact CB-CD 4.2Å; H55-K222 PolarHBondContact NE2-O 2.89Å; H55-K222 PolarHBondContact O-NZ 2.88Å; E59-K222 IonicContact OE1-NZ 3.87Å; K216-K222 HydrophobicContact CB-CB 3.93Å; K216-K222 HydrophobicContact CB-CD 4.03Å; K216-K222 HydrophobicContact CG-CD 3.8Å; V219-K222 HydrophobicContact CB-CB 4.18Å; V219-K222 HydrophobicContact CG1-CB 4.05Å; V219-K222 HydrophobicContact CG1-CD 3.97Å; V219-K222 HydrophobicContact CG1-CG 4Å; V219-K222 PolarHBondContact O-N 3.2Å; L220-K222 PolarHBondContact O-N 3.37Å; L220-K222 VanDerWaalsContact O-N 3.16Å; K222-E343 IonicContact NZ-OE2 2.62Å; K222-E343 PolarHBondContact NZ-OE2 3.46Å
223D96.6Very high93.1Very high2 Ų229.6 Ų29.61%0.01118%0.179CC..  trans-89.5118.7176.6-173.5-2.9000111.2H213 K216 P217 N218 V219 D225 V226H213-D223 WeakPolarHBondContact CA-OD1 3.42Å; H213-D223 WeakPolarHBondContact CB-OD1 3.21Å; H213-D223 IonicContact CE1-OD2 3.6Å; H213-D223 IonicContact CG-OD1 3.61Å; H213-D223 VanDerWaalsContact ND1-CG 3.34Å; H213-D223 IonicContact ND1-OD1 2.84Å; H213-D223 PolarHBondContact ND1-OD1 3.06Å; H213-D223 VanDerWaalsContact ND1-OD1 3.09Å; H213-D223 IonicContact ND1-OD2 2.89Å; H213-D223 PolarHBondContact ND1-OD2 2.97Å; K216-D223 WeakPolarHBondContact O-CB 2.84Å; P217-D223 WeakPolarHBondContact CA-OD2 3.27Å; N218-D223 PolarHBondContact N-OD2 2.98Å; V219-D223 PolarHBondContact O-N 3Å; D223-D225 PolarHBondContact O-N 3.37Å; D223-D225 WeakPolarHBondContact OD1-CB 3.29Å; D223-D225 PolarHBondContact OD1-N 3.02Å; D223-V226 HydrophobicContact CB-CG2 4Å
224P94.1Very high93.1Very high37 Ų3729.6 Ų29.624%0.2418%0.179CC..G310 helixtrans-64.4-25.4175.327-34.6000113.5L209 N212 V226 N227L209-P224 HydrophobicContact CB-CG 4.28Å; L209-P224 HydrophobicContact CD2-CB 3.89Å; L209-P224 HydrophobicContact CD2-CG 4.23Å; L209-P224 WeakPolarHBondContact O-CG 3.38Å; N212-P224 HydrophobicContact CB-CG 4.08Å; P224-V226 VanDerWaalsContact C-N 3.3Å; P224-V226 PolarHBondContact O-N 3.06Å; P224-N227 PolarHBondContact O-N 3.26Å; P224-N227 VanDerWaalsContact O-N 3.14Å
225D92.8Very high93Very high53 Ų5330.4 Ų30.428%0.28319%0.188SC..G310 helixtrans-75.8-20.7-172.5-71.64.9000112.5H213 D223 M228H213-D225 IonicContact CD2-OD2 2.77Å; H213-D225 IonicContact CE1-OD2 3.69Å; H213-D225 IonicContact CG-OD2 3.73Å; H213-D225 IonicContact ND1-OD2 2.72Å; H213-D225 PolarHBondContact ND1-OD2 3.34Å; D223-D225 PolarHBondContact O-N 3.37Å; D223-D225 WeakPolarHBondContact OD1-CB 3.29Å; D223-D225 PolarHBondContact OD1-N 3.02Å; D225-M228 WeakPolarHBondContact O-CE 3.49Å
226V92.9Very high93Very high6 Ų633.3 Ų33.34%0.03621%0.208CC..G310 helixtrans-98.23.1172.1-55.40000112.8L220 D223 P224 M228 L234 I340L220-V226 HydrophobicContact CD2-CG2 4.28Å; D223-V226 HydrophobicContact CB-CG2 4Å; P224-V226 VanDerWaalsContact C-N 3.3Å; P224-V226 PolarHBondContact O-N 3.06Å; V226-M228 PolarHBondContact O-N 3.46Å; V226-L234 HydrophobicContact CB-CD1 4.18Å; V226-I340 HydrophobicContact CB-CG2 4.19Å; V226-I340 HydrophobicContact CG1-CD1 3.9Å; V226-I340 HydrophobicContact CG1-CG1 4.12Å; V226-I340 HydrophobicContact CG1-CG2 4.18Å; V226-I340 HydrophobicContact CG2-CG2 4.32Å
227N87.5Confident92.9Very high102 Ų10234.7 Ų34.755%0.54522%0.217SC..  trans-9483175.5-173.41.9000111.4P224 S229P224-N227 PolarHBondContact O-N 3.26Å; P224-N227 VanDerWaalsContact O-N 3.14Å; N227-S229 PolarHBondContact O-N 3.11Å; N227-S229 VanDerWaalsContact O-N 3.13Å
228M84.8Confident92.9Very high48 Ų4835.7 Ų35.724%0.23622%0.221CC..  trans-83.621.2-174.3-62-61.4-176.400114.8D225 V226 G230 V231 F232 L234D225-M228 WeakPolarHBondContact O-CE 3.49Å; V226-M228 PolarHBondContact O-N 3.46Å; M228-G230 PolarHBondContact O-N 3.11Å; M228-V231 WeakPolarHBondContact O-CB 3.5Å; M228-V231 PolarHBondContact O-N 2.96Å; M228-F232 HydrophobicContact CB-CB 3.89Å; M228-F232 HydrophobicContact CB-CD2 4.05Å; M228-F232 HydrophobicContact CB-CG 4.48Å; M228-F232 HydrophobicContact CG-CB 4.06Å; M228-F232 HydrophobicContact CG-CD2 4.18Å; M228-F232 HydrophobicContact SD-CD2 4.43Å; M228-L234 HydrophobicContact CE-CD1 3.83Å; M228-L234 HydrophobicContact CG-CD1 3.56Å; M228-L234 HydrophobicContact CG-CG 4.18Å
229S80.4Confident92.9Very high103 Ų10335.5 Ų35.572%0.7222%0.22SC*.THydrogen-bonded Turntrans49.733.2175.6-590000114.6N227 V231N227-S229 PolarHBondContact O-N 3.11Å; N227-S229 VanDerWaalsContact O-N 3.13Å; S229-V231 VanDerWaalsContact C-N 3.29Å; S229-V231 PolarHBondContact O-N 3.09Å
230G85.4Confident93Very high11 Ų1136.5 Ų36.511%0.11323%0.226CC..THydrogen-bonded Turntrans76.84.1-179.100000115.6M228 Y252M228-G230 PolarHBondContact O-N 3.11Å; G230-Y252 WeakPolarHBondContact O-CE1 3.28Å; G230-Y252 PolarHBondContact O-OH 3.47Å
231V92.4Very high93Very high54 Ų5438.9 Ų38.933%0.32724%0.237SC..SBendtrans-76-37.3175.1-177.10000111.5M228 S229 Y258M228-V231 WeakPolarHBondContact O-CB 3.5Å; M228-V231 PolarHBondContact O-N 2.96Å; S229-V231 VanDerWaalsContact C-N 3.29Å; S229-V231 PolarHBondContact O-N 3.09Å; V231-Y258 HydrophobicContact CG1-CE2 4.3Å; V231-Y258 PolarHBondContact O-OH 3.19Å
232F94.9Very high93.3Very high16 Ų1636 Ų367%0.0721%0.209CC..  trans-128.8151.4178-56.8-78000110.2M228 L234 Q255 Y258 F259 L423M228-F232 HydrophobicContact CB-CB 3.89Å; M228-F232 HydrophobicContact CB-CD2 4.05Å; M228-F232 HydrophobicContact CB-CG 4.48Å; M228-F232 HydrophobicContact CG-CB 4.06Å; M228-F232 HydrophobicContact CG-CD2 4.18Å; M228-F232 HydrophobicContact SD-CD2 4.43Å; F232-L234 HydrophobicContact CB-CD2 4.06Å; F232-Q255 VanDerWaalsContact CA-OE1 3.29Å; F232-Q255 HydrophobicContact CD1-CB 3.96Å; F232-Q255 HydrophobicContact CD1-CG 4.43Å; F232-Q255 HydrophobicContact CE1-CB 4.38Å; F232-Y258 AromaticContact CD1-CE2 3.9Å; F232-Y258 HydrophobicContact CD1-CE2 3.9Å; F232-Y258 AromaticContact CE1-CD2 3.81Å; F232-Y258 HydrophobicContact CE1-CD2 3.81Å; F232-Y258 AromaticContact CE1-CE2 3.33Å; F232-Y258 HydrophobicContact CE1-CE2 3.33Å; F232-Y258 HydrophobicContact CZ-CD2 4.2Å; F232-Y258 AromaticContact CZ-CE2 3.92Å; F232-Y258 HydrophobicContact CZ-CE2 3.92Å; F232-F259 HydrophobicContact CE1-CB 4.03Å; F232-F259 AromaticContact CE1-CD2 3.91Å; F232-F259 HydrophobicContact CE1-CD2 3.91Å; F232-F259 HydrophobicContact CE1-CG 4.49Å; F232-F259 HydrophobicContact CE2-CD2 4.39Å; F232-F259 HydrophobicContact CZ-CB 4.39Å; F232-F259 AromaticContact CZ-CD2 3.77Å; F232-F259 HydrophobicContact CZ-CD2 3.77Å; F232-L423 HydrophobicContact CB-CD2 4.5Å; F232-L423 HydrophobicContact CD1-CD2 4.08Å; F232-L423 HydrophobicContact CG-CD2 4.49Å
233V96.2Very high93.4Very high0 Ų034.2 Ų34.20%020%0.201CC..  trans-110.5132.6165.2-67.50000108.6P239 Y242 Y252 Q255 S426 W430V233-P239 HydrophobicContact CB-CB 4.01Å; V233-P239 HydrophobicContact CB-CG 3.95Å; V233-P239 HydrophobicContact CG2-CB 3.81Å; V233-P239 HydrophobicContact CG2-CG 4.01Å; V233-Y242 HydrophobicContact CG1-CD2 3.72Å; V233-Y242 HydrophobicContact CG1-CE2 4.32Å; V233-Y242 HydrophobicContact CG1-CG 4.18Å; V233-Y252 HydrophobicContact CB-CD1 4.47Å; V233-Y252 HydrophobicContact CG1-CD1 3.92Å; V233-Y252 HydrophobicContact CG1-CD2 3.95Å; V233-Y252 HydrophobicContact CG1-CE1 3.85Å; V233-Y252 HydrophobicContact CG1-CE2 3.86Å; V233-Y252 HydrophobicContact CG1-CG 3.98Å; V233-Y252 HydrophobicContact CG2-CD1 4.05Å; V233-Y252 HydrophobicContact CG2-CD2 4.45Å; V233-Y252 HydrophobicContact CG2-CG 3.88Å; V233-Q255 PolarHBondContact O-NE2 2.86Å; V233-Q255 PolarHBondContact O-OE1 2.64Å; V233-S426 WeakPolarHBondContact O-CB 3.38Å; V233-W430 HydrophobicContact CG2-CB 4.14Å
234L96.3Very high93.5Very high2 Ų239.3 Ų39.31%0.0123%0.226CC..  trans-125.6150.2-167.4-57.9-177.9000112.8V226 M228 F232 P239 L336 I340 L423V226-L234 HydrophobicContact CB-CD1 4.18Å; M228-L234 HydrophobicContact CE-CD1 3.83Å; M228-L234 HydrophobicContact CG-CD1 3.56Å; M228-L234 HydrophobicContact CG-CG 4.18Å; F232-L234 HydrophobicContact CB-CD2 4.06Å; L234-P239 WeakPolarHBondContact O-CD 3.45Å; L234-L336 HydrophobicContact CD1-CD1 4.47Å; L234-L336 HydrophobicContact CD2-CD1 3.92Å; L234-L336 HydrophobicContact CD2-CG 4.28Å; L234-I340 HydrophobicContact CB-CD1 3.86Å; L234-I340 HydrophobicContact CD1-CD1 4.46Å; L234-L423 HydrophobicContact CD2-CD2 3.63Å
235G95.3Very high93.6Very high19 Ų1944.1 Ų44.120%0.19624%0.243CC..THydrogen-bonded Turntrans73-159.5179.900000113P239 S426G235-P239 VanDerWaalsContact O-CG 3.26Å; G235-P239 WeakPolarHBondContact O-CG 3.2Å; G235-S426 PolarHBondContact N-OG 3.37Å; G235-S426 PolarHBondContact O-OG 3.08Å
236S95.1Very high93.8Very high60 Ų6046 Ų4642%0.4225%0.249SC..THydrogen-bonded Turntrans-100.6-21.7-179.954.20000113.7V240S236-V240 WeakPolarHBondContact O-CG2 3.49Å
237V95.6Very high93.9Very high33 Ų3347.9 Ų47.920%0.226%0.258CS..THydrogen-bonded Turntrans-92.2-55.9-172178.20000112.1L220 P239 V240 E241 D341L220-V237 HydrophobicContact CD1-CB 4.46Å; L220-V237 HydrophobicContact CD1-CG1 4.45Å; V237-P239 VanDerWaalsContact C-CD 3.42Å; V237-V240 PolarHBondContact O-N 2.75Å; V237-E241 HydrophobicContact CG1-CG 4.36Å; V237-E241 PolarHBondContact O-N 3.04Å; V237-D341 WeakPolarHBondContact CG2-OD1 3.48Å
238Q96.3Very high94.2Very high24 Ų2449 Ų4911%0.11226%0.258CS..Hα-helixtrans-54.5-43.4-178.4-176.6-17363.200113.8L220 V240 E241 Y242L220-Q238 HydrophobicContact CD1-CB 4.06Å; L220-Q238 HydrophobicContact CD2-CB 4.22Å; Q238-V240 VanDerWaalsContact C-N 3.35Å; Q238-V240 PolarHBondContact O-N 2.85Å; Q238-E241 PolarHBondContact O-N 3.37Å; Q238-Y242 HydrophobicContact CG-CD1 4.14Å; Q238-Y242 HydrophobicContact CG-CE1 4.18Å; Q238-Y242 WeakPolarHBondContact O-CB 3.46Å; Q238-Y242 PolarHBondContact O-N 3.14Å
239P97.2Very high94.7Very high0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-65.5-38.3-178.6-17.130.7000112.3V233 L234 G235 V237 Y242 G243 S426 L429 W430V233-P239 HydrophobicContact CB-CB 4.01Å; V233-P239 HydrophobicContact CB-CG 3.95Å; V233-P239 HydrophobicContact CG2-CB 3.81Å; V233-P239 HydrophobicContact CG2-CG 4.01Å; L234-P239 WeakPolarHBondContact O-CD 3.45Å; G235-P239 VanDerWaalsContact O-CG 3.26Å; G235-P239 WeakPolarHBondContact O-CG 3.2Å; V237-P239 VanDerWaalsContact C-CD 3.42Å; P239-Y242 PolarHBondContact O-N 3.4Å; P239-G243 PolarHBondContact O-N 2.89Å; P239-S426 WeakPolarHBondContact CB-O 3.35Å; P239-L429 HydrophobicContact CB-CB 4.25Å; P239-W430 HydrophobicContact CB-CB 3.79Å; P239-W430 WeakPolarHBondContact O-CA 3.4Å
240V97.6Very high95.5Very high32 Ų3250.7 Ų50.719%0.19425%0.254CS..Hα-helixtrans-66.3-46.5177.3175.90000110.5S236 V237 Q238 Y242 G243 M244 L429 A433S236-V240 WeakPolarHBondContact O-CG2 3.49Å; V237-V240 PolarHBondContact O-N 2.75Å; Q238-V240 VanDerWaalsContact C-N 3.35Å; Q238-V240 PolarHBondContact O-N 2.85Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; V240-Y242 PolarHBondContact O-N 3.31Å; V240-G243 PolarHBondContact O-N 3.35Å; V240-M244 HydrophobicContact CG1-CG 4.46Å; V240-M244 HydrophobicContact CG1-SD 4.09Å; V240-M244 WeakPolarHBondContact O-CG 3.29Å; V240-M244 PolarHBondContact O-N 2.93Å; V240-L429 HydrophobicContact CG2-CB 4.25Å; V240-A433 HydrophobicContact CB-CB 4.43Å; V240-A433 HydrophobicContact CG1-CB 4.14Å
241E96.3Very high95.9Very high61 Ų6152.8 Ų52.829%0.28527%0.266SS..Hα-helixtrans-60.3-42.8176.8-70.8-174.9-179.200112.4V237 Q238 K245 H342V237-E241 HydrophobicContact CG1-CG 4.36Å; V237-E241 PolarHBondContact O-N 3.04Å; Q238-E241 PolarHBondContact O-N 3.37Å; E241-K245 WeakPolarHBondContact O-CB 3.27Å; E241-K245 VanDerWaalsContact O-CG 3.28Å; E241-K245 WeakPolarHBondContact O-CG 3.38Å; E241-K245 PolarHBondContact O-N 3.43Å; E241-K245 VanDerWaalsContact O-N 3.09Å; E241-H342 IonicContact OE1-CD2 2.65Å; E241-H342 IonicContact OE1-CE1 2.74Å; E241-H342 IonicContact OE1-NE2 3.61Å; E241-H342 PolarHBondContact OE1-NE2 3.39Å; E241-H342 IonicContact OE2-NE2 3.98Å
242Y96.6Very high96.2Very high56 Ų5650.2 Ų50.222%0.2225%0.25CS..Hα-helixtrans-64.7-41.2176.3-92.243.5000111.4V233 Q238 P239 V240 K245 K246 I247 Y252V233-Y242 HydrophobicContact CG1-CD2 3.72Å; V233-Y242 HydrophobicContact CG1-CE2 4.32Å; V233-Y242 HydrophobicContact CG1-CG 4.18Å; Q238-Y242 HydrophobicContact CG-CD1 4.14Å; Q238-Y242 HydrophobicContact CG-CE1 4.18Å; Q238-Y242 WeakPolarHBondContact O-CB 3.46Å; Q238-Y242 PolarHBondContact O-N 3.14Å; P239-Y242 PolarHBondContact O-N 3.4Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; V240-Y242 PolarHBondContact O-N 3.31Å; Y242-K245 CarbonylContact O-C 3.11Å; Y242-K245 PolarHBondContact O-N 3.44Å; Y242-K246 PolarHBondContact O-N 2.91Å; Y242-K246 VanDerWaalsContact O-N 3.16Å; Y242-I247 HydrophobicContact CD1-CD1 4.12Å; Y242-I247 HydrophobicContact CD2-CB 3.89Å; Y242-I247 HydrophobicContact CD2-CD1 4.44Å; Y242-I247 HydrophobicContact CD2-CG2 3.54Å; Y242-I247 HydrophobicContact CE1-CD1 4.23Å; Y242-I247 HydrophobicContact CE2-CB 4.43Å; Y242-I247 HydrophobicContact CE2-CG2 3.67Å; Y242-I247 HydrophobicContact CG-CB 4.11Å; Y242-I247 HydrophobicContact CG-CD1 4.21Å; Y242-I247 HydrophobicContact CG-CG2 4.24Å; Y242-I247 PolarHBondContact O-N 2.8Å; Y242-Y252 HydrophobicContact CD2-CE2 4.12Å
243G97.4Very high96.2Very high0 Ų051.3 Ų51.30%026%0.257CS..Hα-helixtrans-62-49.3177.200000112.2P239 V240 K245 K246 Y434P239-G243 PolarHBondContact O-N 2.89Å; V240-G243 PolarHBondContact O-N 3.35Å; G243-K245 VanDerWaalsContact C-N 3.29Å; G243-K245 PolarHBondContact O-N 3.41Å; G243-K246 WeakPolarHBondContact O-CA 3.48Å; G243-K246 PolarHBondContact O-N 3Å; G243-Y434 WeakPolarHBondContact O-CA 3.21Å
244M97.7Very high96.3Very high108 Ų10855.1 Ų55.153%0.53228%0.275SS..Hα-helixtrans-59.9-39176.7-69.7176.669.500112.3V240 K246 A433 K437V240-M244 HydrophobicContact CG1-CG 4.46Å; V240-M244 HydrophobicContact CG1-SD 4.09Å; V240-M244 WeakPolarHBondContact O-CG 3.29Å; V240-M244 PolarHBondContact O-N 2.93Å; M244-K246 PolarHBondContact O-N 2.79Å; M244-A433 HydrophobicContact CG-CB 4.46Å; M244-K437 HydrophobicContact CG-CB 3.92Å
245K97.3Very high96.3Very high139 Ų13955 Ų5560%0.60427%0.274SS*.THydrogen-bonded Turntrans-78.32.2176.7-68.2171.3-176.6166.70113.7E241 Y242 G243 I247E241-K245 WeakPolarHBondContact O-CB 3.27Å; E241-K245 VanDerWaalsContact O-CG 3.28Å; E241-K245 WeakPolarHBondContact O-CG 3.38Å; E241-K245 PolarHBondContact O-N 3.43Å; E241-K245 VanDerWaalsContact O-N 3.09Å; Y242-K245 CarbonylContact O-C 3.11Å; Y242-K245 PolarHBondContact O-N 3.44Å; G243-K245 VanDerWaalsContact C-N 3.29Å; G243-K245 PolarHBondContact O-N 3.41Å; K245-I247 HydrophobicContact CB-CD1 3.83Å; K245-I247 HydrophobicContact CB-CG1 3.8Å; K245-I247 HydrophobicContact CD-CD1 4.09Å; K245-I247 PolarHBondContact O-N 3.36Å
246K95.9Very high96.3Very high93 Ų9356.1 Ų56.140%0.40427%0.274SS..THydrogen-bonded Turntrans53.232.2-175.1-50.7-59.9173.7-157.50113.8Y242 G243 M244 Y434 K437Y242-K246 PolarHBondContact O-N 2.91Å; Y242-K246 VanDerWaalsContact O-N 3.16Å; G243-K246 WeakPolarHBondContact O-CA 3.48Å; G243-K246 PolarHBondContact O-N 3Å; M244-K246 PolarHBondContact O-N 2.79Å; K246-Y434 HydrophobicContact CB-CD2 4.41Å; K246-Y434 HydrophobicContact CB-CE2 3.88Å; K246-Y434 HydrophobicContact CD-CD2 4.03Å; K246-Y434 HydrophobicContact CD-CE2 4.06Å; K246-Y434 HydrophobicContact CD-CG 4.43Å; K246-Y434 PolarHBondContact NZ-O 2.87Å; K246-K437 PolarHBondContact NZ-OXT 2.86Å
247I96Very high96.3Very high45 Ų4558.9 Ų58.923%0.23128%0.281CS..  trans-78.4123.8177.7-61.2172.7000109.4Y242 K245 H249 W430Y242-I247 HydrophobicContact CD1-CD1 4.12Å; Y242-I247 HydrophobicContact CD2-CB 3.89Å; Y242-I247 HydrophobicContact CD2-CD1 4.44Å; Y242-I247 HydrophobicContact CD2-CG2 3.54Å; Y242-I247 HydrophobicContact CE1-CD1 4.23Å; Y242-I247 HydrophobicContact CE2-CB 4.43Å; Y242-I247 HydrophobicContact CE2-CG2 3.67Å; Y242-I247 HydrophobicContact CG-CB 4.11Å; Y242-I247 HydrophobicContact CG-CD1 4.21Å; Y242-I247 HydrophobicContact CG-CG2 4.24Å; Y242-I247 PolarHBondContact O-N 2.8Å; K245-I247 HydrophobicContact CB-CD1 3.83Å; K245-I247 HydrophobicContact CB-CG1 3.8Å; K245-I247 HydrophobicContact CD-CD1 4.09Å; K245-I247 PolarHBondContact O-N 3.36Å; I247-H249 WeakPolarHBondContact CG2-CE1 3.45Å; I247-H249 WeakPolarHBondContact CG2-ND1 3.39Å; I247-W430 WeakPolarHBondContact O-CZ2 3.16Å; I247-W430 PolarHBondContact O-NE1 2.92Å
248K94.3Very high96.2Very high126 Ų12658.5 Ų58.555%0.54828%0.276SS..  trans-142.673.2-176.9-170.7-175.7176-179.60111.7W430 Y434K248-W430 HydrophobicContact CB-CH2 4.39Å; K248-W430 HydrophobicContact CB-CZ2 3.9Å; K248-W430 HydrophobicContact CD-CH2 4.09Å; K248-W430 HydrophobicContact CD-CZ2 4.42Å; K248-W430 HydrophobicContact CG-CH2 3.85Å; K248-W430 HydrophobicContact CG-CZ2 3.85Å; K248-Y434 HydrophobicContact CB-CE2 4.26Å
249H95.3Very high96.1Very high128 Ų12858 Ų5859%0.59327%0.273SS*.SBendtrans-75.7-30.9174.1-55.5109.4000112.3I247 Y252I247-H249 WeakPolarHBondContact CG2-CE1 3.45Å; I247-H249 WeakPolarHBondContact CG2-ND1 3.39Å; H249-Y252 WeakPolarHBondContact CB-OH 3.39Å; H249-Y252 PolarHBondContact ND1-OH 3.2Å
250M95.7Very high95.8Very high57 Ų5763 Ų6328%0.28130%0.295SS..SBendtrans-137.4162.5-179.3-70.8-62.5-76.300109.9Y252 Y258 L262M250-Y252 HydrophobicContact CB-CD1 4.11Å; M250-Y252 HydrophobicContact CB-CE1 3.87Å; M250-Y252 PolarHBondContact O-N 2.73Å; M250-Y258 WeakPolarHBondContact CB-OH 3.39Å; M250-Y258 HydrophobicContact CE-CE1 4.46Å; M250-Y258 HydrophobicContact CE-CE2 4.28Å; M250-L262 HydrophobicContact CE-CD1 3.93Å
251P95.6Very high95.3Very high55 Ų5567.1 Ų67.136%0.35732%0.315SS..  trans-73.674.8173.231-34.3000110.7N253 H254 Y258P251-N253 PolarHBondContact O-N 3.04Å; P251-N253 VanDerWaalsContact O-N 3.12Å; P251-H254 WeakPolarHBondContact O-CA 3.3Å; P251-H254 PolarHBondContact O-N 3.2Å; P251-Y258 HydrophobicContact CG-CD1 4.41Å; P251-Y258 HydrophobicContact CG-CE1 3.99Å; P251-Y258 WeakPolarHBondContact O-CE1 3.36Å
252Y97Very high94.8Very high0 Ų067.1 Ų67.10%032%0.317CS..G310 helixtrans-58.5-29.6-170.3-63.8-53.6000114.2G230 V233 Y242 H249 M250 H254 Q255 G427 W430G230-Y252 WeakPolarHBondContact O-CE1 3.28Å; G230-Y252 PolarHBondContact O-OH 3.47Å; V233-Y252 HydrophobicContact CB-CD1 4.47Å; V233-Y252 HydrophobicContact CG1-CD1 3.92Å; V233-Y252 HydrophobicContact CG1-CD2 3.95Å; V233-Y252 HydrophobicContact CG1-CE1 3.85Å; V233-Y252 HydrophobicContact CG1-CE2 3.86Å; V233-Y252 HydrophobicContact CG1-CG 3.98Å; V233-Y252 HydrophobicContact CG2-CD1 4.05Å; V233-Y252 HydrophobicContact CG2-CD2 4.45Å; V233-Y252 HydrophobicContact CG2-CG 3.88Å; Y242-Y252 HydrophobicContact CD2-CE2 4.12Å; H249-Y252 WeakPolarHBondContact CB-OH 3.39Å; H249-Y252 PolarHBondContact ND1-OH 3.2Å; M250-Y252 HydrophobicContact CB-CD1 4.11Å; M250-Y252 HydrophobicContact CB-CE1 3.87Å; M250-Y252 PolarHBondContact O-N 2.73Å; Y252-H254 PolarHBondContact O-N 2.92Å; Y252-H254 VanDerWaalsContact O-N 3.15Å; Y252-Q255 VanDerWaalsContact O-CB 3.28Å; Y252-Q255 WeakPolarHBondContact O-CB 3.19Å; Y252-Q255 WeakPolarHBondContact O-CG 3.22Å; Y252-Q255 PolarHBondContact O-N 3.27Å; Y252-G427 VanDerWaalsContact O-CA 3.24Å; Y252-G427 WeakPolarHBondContact O-CA 3.27Å; Y252-W430 AromaticContact CD2-CD1 3.82Å; Y252-W430 AromaticContact CD2-CD2 3.77Å; Y252-W430 HydrophobicContact CD2-CD2 3.77Å; Y252-W430 AromaticContact CD2-CE2 3.52Å; Y252-W430 HydrophobicContact CD2-CE3 4.41Å; Y252-W430 AromaticContact CD2-CG 3.98Å; Y252-W430 HydrophobicContact CD2-CG 3.98Å; Y252-W430 AromaticContact CD2-CZ2 3.97Å; Y252-W430 HydrophobicContact CD2-CZ2 3.97Å; Y252-W430 AromaticContact CD2-NE1 3.52Å; Y252-W430 AromaticContact CE2-NE1 4Å; Y252-W430 HydrophobicContact CG-CD2 4.3Å; Y252-W430 HydrophobicContact CG-CG 4.45Å
253N96.5Very high94.4Very high40 Ų4065.1 Ų65.121%0.21431%0.313CS..G310 helixtrans-61.3-20.9173.766.5-56.5000113.3P251 H256 L431P251-N253 PolarHBondContact O-N 3.04Å; P251-N253 VanDerWaalsContact O-N 3.12Å; N253-H256 PolarHBondContact O-CE1 3.39Å; N253-H256 VanDerWaalsContact O-CE1 3.32Å; N253-L431 HydrophobicContact CB-CB 4.12Å; N253-L431 HydrophobicContact CB-CD1 4.49Å; N253-L431 HydrophobicContact CB-CD2 3.99Å; N253-L431 HydrophobicContact CB-CG 4.44Å
254H96.6Very high94.1Very high80 Ų8065.1 Ų65.137%0.3731%0.313SS..G310 helixtrans-104.910.4175.7-63.7-73.9000113.4P251 Y252 H256 Q257 Y258P251-H254 WeakPolarHBondContact O-CA 3.3Å; P251-H254 PolarHBondContact O-N 3.2Å; Y252-H254 PolarHBondContact O-N 2.92Å; Y252-H254 VanDerWaalsContact O-N 3.15Å; H254-H256 VanDerWaalsContact C-N 3.26Å; H254-H256 PolarHBondContact O-N 3.3Å; H254-H256 VanDerWaalsContact O-N 3.17Å; H254-Q257 PolarHBondContact ND1-OE1 3.08Å; H254-Q257 WeakPolarHBondContact O-CA 3.45Å; H254-Q257 VanDerWaalsContact O-CB 3.29Å; H254-Q257 WeakPolarHBondContact O-CB 3.5Å; H254-Q257 PolarHBondContact O-N 3.32Å; H254-Y258 WeakPolarHBondContact O-CD1 3.41Å; H254-Y258 PolarHBondContact O-N 3.4Å
255Q96.4Very high93.8Very high0 Ų060.9 Ų60.90%029%0.293CS..Hα-helixtrans-61.9-30.7-170.975.2180-13.100115.2F232 V233 Y252 Q257 Y258 F259 L423F232-Q255 VanDerWaalsContact CA-OE1 3.29Å; F232-Q255 HydrophobicContact CD1-CB 3.96Å; F232-Q255 HydrophobicContact CD1-CG 4.43Å; F232-Q255 HydrophobicContact CE1-CB 4.38Å; V233-Q255 PolarHBondContact O-NE2 2.86Å; V233-Q255 PolarHBondContact O-OE1 2.64Å; Y252-Q255 VanDerWaalsContact O-CB 3.28Å; Y252-Q255 WeakPolarHBondContact O-CB 3.19Å; Y252-Q255 WeakPolarHBondContact O-CG 3.22Å; Y252-Q255 PolarHBondContact O-N 3.27Å; Q255-Q257 PolarHBondContact O-N 3.24Å; Q255-Y258 VanDerWaalsContact CA-CZ 3.42Å; Q255-Y258 HydrophobicContact CB-CE1 3.85Å; Q255-Y258 HydrophobicContact CB-CE2 4.05Å; Q255-Y258 VanDerWaalsContact CB-CZ 3.47Å; Q255-Y258 VanDerWaalsContact CB-OH 3.29Å; Q255-Y258 WeakPolarHBondContact CB-OH 3.34Å; Q255-F259 VanDerWaalsContact O-CB 3.28Å; Q255-F259 WeakPolarHBondContact O-CB 3.46Å; Q255-F259 PolarHBondContact O-N 2.83Å; Q255-L423 HydrophobicContact CG-CB 4.15Å; Q255-L423 HydrophobicContact CG-CD2 4.35Å; Q255-L423 VanDerWaalsContact CG-O 3.27Å; Q255-L423 WeakPolarHBondContact CG-O 3.29Å; Q255-L423 PolarHBondContact NE2-O 3.39Å
256H95.8Very high93.4Very high41 Ų4157.8 Ų57.819%0.1928%0.283CS..Hα-helixtrans-64.2-24.5172.561.9-80.6000113.3N253 H254 V420 L423 K424N253-H256 PolarHBondContact O-CE1 3.39Å; N253-H256 VanDerWaalsContact O-CE1 3.32Å; H254-H256 VanDerWaalsContact C-N 3.26Å; H254-H256 PolarHBondContact O-N 3.3Å; H254-H256 VanDerWaalsContact O-N 3.17Å; H256-V420 HydrophobicContact CB-CG1 4.08Å; H256-L423 HydrophobicContact CB-CB 4.11Å; H256-K424 HydrophobicContact CB-CB 3.93Å
257Q94.9Very high93.2Very high119 Ų11955.3 Ų55.356%0.55627%0.274SS*.Hα-helixtrans-83.5-43.9-179.5-54.7-179.8-26.200111.3H254 Q255H254-Q257 PolarHBondContact ND1-OE1 3.08Å; H254-Q257 WeakPolarHBondContact O-CA 3.45Å; H254-Q257 VanDerWaalsContact O-CB 3.29Å; H254-Q257 WeakPolarHBondContact O-CB 3.5Å; H254-Q257 PolarHBondContact O-N 3.32Å; Q255-Q257 PolarHBondContact O-N 3.24Å
258Y94.6Very high92.9Very high25 Ų2553.6 Ų53.610%0.09827%0.266CS..Hα-helixtrans-85.7-10.2178.866.2-111.8000113.6V231 F232 M250 P251 H254 Q255 F260 L261 L262V231-Y258 HydrophobicContact CG1-CE2 4.3Å; V231-Y258 PolarHBondContact O-OH 3.19Å; F232-Y258 AromaticContact CD1-CE2 3.9Å; F232-Y258 HydrophobicContact CD1-CE2 3.9Å; F232-Y258 AromaticContact CE1-CD2 3.81Å; F232-Y258 HydrophobicContact CE1-CD2 3.81Å; F232-Y258 AromaticContact CE1-CE2 3.33Å; F232-Y258 HydrophobicContact CE1-CE2 3.33Å; F232-Y258 HydrophobicContact CZ-CD2 4.2Å; F232-Y258 AromaticContact CZ-CE2 3.92Å; F232-Y258 HydrophobicContact CZ-CE2 3.92Å; M250-Y258 WeakPolarHBondContact CB-OH 3.39Å; M250-Y258 HydrophobicContact CE-CE1 4.46Å; M250-Y258 HydrophobicContact CE-CE2 4.28Å; P251-Y258 HydrophobicContact CG-CD1 4.41Å; P251-Y258 HydrophobicContact CG-CE1 3.99Å; P251-Y258 WeakPolarHBondContact O-CE1 3.36Å; H254-Y258 WeakPolarHBondContact O-CD1 3.41Å; H254-Y258 PolarHBondContact O-N 3.4Å; Q255-Y258 VanDerWaalsContact CA-CZ 3.42Å; Q255-Y258 HydrophobicContact CB-CE1 3.85Å; Q255-Y258 HydrophobicContact CB-CE2 4.05Å; Q255-Y258 VanDerWaalsContact CB-CZ 3.47Å; Q255-Y258 VanDerWaalsContact CB-OH 3.29Å; Q255-Y258 WeakPolarHBondContact CB-OH 3.34Å; Y258-F260 VanDerWaalsContact C-N 3.33Å; Y258-F260 PolarHBondContact O-N 3.45Å; Y258-L261 PolarHBondContact O-N 2.72Å; Y258-L261 VanDerWaalsContact O-N 3.08Å; Y258-L262 HydrophobicContact CD2-CB 4.36Å; Y258-L262 HydrophobicContact CD2-CD1 3.77Å; Y258-L262 HydrophobicContact CD2-CG 4.38Å; Y258-L262 HydrophobicContact CE2-CD1 4.46Å; Y258-L262 HydrophobicContact CG-CD1 4.14Å; Y258-L262 WeakPolarHBondContact O-CB 3.32Å; Y258-L262 PolarHBondContact O-N 3.24Å
259F93.9Very high92.7Very high12 Ų1248.7 Ų48.75%0.05325%0.247CC..Hα-helixtrans-52.7-49.7178.2173.1-106000112F232 Q255 L261 L262 G263 P264 V328 W329 V419 L423F232-F259 HydrophobicContact CE1-CB 4.03Å; F232-F259 AromaticContact CE1-CD2 3.91Å; F232-F259 HydrophobicContact CE1-CD2 3.91Å; F232-F259 HydrophobicContact CE1-CG 4.49Å; F232-F259 HydrophobicContact CE2-CD2 4.39Å; F232-F259 HydrophobicContact CZ-CB 4.39Å; F232-F259 AromaticContact CZ-CD2 3.77Å; F232-F259 HydrophobicContact CZ-CD2 3.77Å; Q255-F259 VanDerWaalsContact O-CB 3.28Å; Q255-F259 WeakPolarHBondContact O-CB 3.46Å; Q255-F259 PolarHBondContact O-N 2.83Å; F259-L261 PolarHBondContact O-N 3.12Å; F259-L262 PolarHBondContact O-N 2.9Å; F259-G263 VanDerWaalsContact O-CA 3.32Å; F259-G263 WeakPolarHBondContact O-CA 3.19Å; F259-G263 PolarHBondContact O-N 3.13Å; F259-P264 HydrophobicContact CE1-CG 4.35Å; F259-P264 HydrophobicContact CZ-CG 4.34Å; F259-P264 WeakPolarHBondContact O-CD 3.47Å; F259-V328 HydrophobicContact CE2-CG1 4.3Å; F259-V328 HydrophobicContact CZ-CG1 3.71Å; F259-W329 HydrophobicContact CD1-CH2 4.34Å; F259-W329 HydrophobicContact CD1-CZ2 4.4Å; F259-W329 AromaticContact CE1-CH2 3.9Å; F259-W329 HydrophobicContact CE1-CH2 3.9Å; F259-W329 AromaticContact CE1-CZ2 3.94Å; F259-W329 HydrophobicContact CE1-CZ2 3.94Å; F259-W329 HydrophobicContact CE1-CZ3 4.29Å; F259-V419 HydrophobicContact CE1-CG1 3.91Å; F259-V419 HydrophobicContact CZ-CG1 3.9Å; F259-L423 HydrophobicContact CB-CD1 3.7Å; F259-L423 HydrophobicContact CD1-CD1 3.9Å; F259-L423 HydrophobicContact CD2-CD1 3.46Å; F259-L423 VanDerWaalsContact CD2-CD1 3.46Å; F259-L423 HydrophobicContact CE1-CD1 4.39Å; F259-L423 HydrophobicContact CE2-CD1 4Å; F259-L423 HydrophobicContact CG-CD1 3.39Å; F259-L423 HydrophobicContact CZ-CD1 4.43Å
260F89.7Confident92.5Very high106 Ų10645.8 Ų45.847%0.46524%0.238SC..Hα-helixtrans-60.9-32.5-179.5-175.9-94.7000112.9Y258 P265 H325 W329Y258-F260 VanDerWaalsContact C-N 3.33Å; Y258-F260 PolarHBondContact O-N 3.45Å; F260-P265 WeakPolarHBondContact O-CD 3.21Å; F260-P265 WeakPolarHBondContact O-CG 3.23Å; F260-H325 AromaticContact CE2-CD2 3.87Å; F260-W329 HydrophobicContact CD2-CZ2 4.23Å
261L87.3Confident92.3Very high118 Ų11845.8 Ų45.862%0.61824%0.241SC*.Hα-helixtrans-91.5-27.8-175.1-64.3175.5000113.8Y258 F259 P265Y258-L261 PolarHBondContact O-N 2.72Å; Y258-L261 VanDerWaalsContact O-N 3.08Å; F259-L261 PolarHBondContact O-N 3.12Å; L261-P265 VanDerWaalsContact O-CG 3.25Å; L261-P265 WeakPolarHBondContact O-CG 3.14Å
262L87.4Confident92.2Very high62 Ų6244.9 Ų44.933%0.32523%0.231SC..Hα-helixtrans-109.8-41.3-177-63-176.8000112.7M250 Y258 F259 L266M250-L262 HydrophobicContact CE-CD1 3.93Å; Y258-L262 HydrophobicContact CD2-CB 4.36Å; Y258-L262 HydrophobicContact CD2-CD1 3.77Å; Y258-L262 HydrophobicContact CD2-CG 4.38Å; Y258-L262 HydrophobicContact CE2-CD1 4.46Å; Y258-L262 HydrophobicContact CG-CD1 4.14Å; Y258-L262 WeakPolarHBondContact O-CB 3.32Å; Y258-L262 PolarHBondContact O-N 3.24Å; F259-L262 PolarHBondContact O-N 2.9Å; L262-L266 HydrophobicContact CB-CD1 4.4Å; L262-L266 HydrophobicContact CD2-CD1 3.91Å; L262-L266 VanDerWaalsContact O-CB 3.24Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 WeakPolarHBondContact O-CG 3.44Å; L262-L266 PolarHBondContact O-N 3.01Å
263G86.6Confident91.9Very high13 Ų1346.1 Ų46.113%0.13424%0.238CC..Hα-helixtrans-64-79.9-175.300000111.8F259 L267F259-G263 VanDerWaalsContact O-CA 3.32Å; F259-G263 WeakPolarHBondContact O-CA 3.19Å; F259-G263 PolarHBondContact O-N 3.13Å; G263-L267 WeakPolarHBondContact O-CB 3.46Å; G263-L267 PolarHBondContact O-N 3.3Å; G263-L267 VanDerWaalsContact O-N 3.15Å
264P91.2Very high91.7Very high0 Ų049.6 Ų49.60%026%0.256CS..Hα-helixtrans-60-46.4179.5-13.723.7000114.4F259 L266 L267 S324 H325 V328F259-P264 HydrophobicContact CE1-CG 4.35Å; F259-P264 HydrophobicContact CZ-CG 4.34Å; F259-P264 WeakPolarHBondContact O-CD 3.47Å; P264-L266 VanDerWaalsContact C-N 3.25Å; P264-L266 PolarHBondContact O-N 3.2Å; P264-L266 VanDerWaalsContact O-N 3.13Å; P264-L267 PolarHBondContact O-N 2.86Å; P264-S324 WeakPolarHBondContact O-CB 3.46Å; P264-S324 PolarHBondContact O-OG 2.89Å; P264-H325 HydrophobicContact CB-CB 4.36Å; P264-V328 HydrophobicContact CB-CB 4.03Å; P264-V328 HydrophobicContact CB-CG1 4.36Å; P264-V328 HydrophobicContact CB-CG2 4.13Å; P264-V328 HydrophobicContact CG-CB 4.09Å; P264-V328 HydrophobicContact CG-CG1 3.9Å
265P91.1Very high91.6Very high19 Ų1949.3 Ų49.312%0.12326%0.255CS..Hα-helixtrans-59.9-28.1-176.8-26.333.7000115.4F260 L261 P269 F321 H325F260-P265 WeakPolarHBondContact O-CD 3.21Å; F260-P265 WeakPolarHBondContact O-CG 3.23Å; L261-P265 VanDerWaalsContact O-CG 3.25Å; L261-P265 WeakPolarHBondContact O-CG 3.14Å; P265-P269 WeakPolarHBondContact O-CD 3.21Å; P265-P269 VanDerWaalsContact O-CG 3.24Å; P265-P269 WeakPolarHBondContact O-CG 3.46Å; P265-F321 HydrophobicContact CB-CD2 3.89Å; P265-F321 HydrophobicContact CB-CE2 3.85Å; P265-F321 HydrophobicContact CG-CD2 4.29Å; P265-F321 HydrophobicContact CG-CE2 3.79Å; P265-H325 VanDerWaalsContact CG-CE1 3.49Å; P265-H325 WeakPolarHBondContact CG-CE1 3.45Å
266L89.9Confident91.4Very high74 Ų7449.5 Ų49.539%0.38726%0.256SS..Hα-helixtrans-101.7-19.2-177.5-56.4177.7000113.4L262 P264 V270 V271L262-L266 HydrophobicContact CB-CD1 4.4Å; L262-L266 HydrophobicContact CD2-CD1 3.91Å; L262-L266 VanDerWaalsContact O-CB 3.24Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 WeakPolarHBondContact O-CG 3.44Å; L262-L266 PolarHBondContact O-N 3.01Å; P264-L266 VanDerWaalsContact C-N 3.25Å; P264-L266 PolarHBondContact O-N 3.2Å; P264-L266 VanDerWaalsContact O-N 3.13Å; L266-V270 HydrophobicContact CD2-CG2 4.06Å; L266-V270 WeakPolarHBondContact O-CA 3.41Å; L266-V270 WeakPolarHBondContact O-CB 3.35Å; L266-V270 PolarHBondContact O-N 3.35Å; L266-V271 PolarHBondContact O-N 3.21Å
267L90.9Very high91.4Very high41 Ų4150.3 Ų50.322%0.21526%0.262CS..Iπ-helixtrans-60.8-66.6-172.4-171.669.7000112.5G263 P264 V271 F272 F327 V328G263-L267 WeakPolarHBondContact O-CB 3.46Å; G263-L267 PolarHBondContact O-N 3.3Å; G263-L267 VanDerWaalsContact O-N 3.15Å; P264-L267 PolarHBondContact O-N 2.86Å; L267-V271 HydrophobicContact CD1-CB 4.44Å; L267-V271 WeakPolarHBondContact O-CB 3.29Å; L267-V271 PolarHBondContact O-N 3.3Å; L267-F272 HydrophobicContact CD1-CD1 4.02Å; L267-F272 HydrophobicContact CD1-CE1 3.5Å; L267-F272 HydrophobicContact CD1-CZ 3.84Å; L267-F272 HydrophobicContact CD2-CE1 4.25Å; L267-F272 HydrophobicContact CD2-CE2 4Å; L267-F272 HydrophobicContact CD2-CZ 3.69Å; L267-F272 HydrophobicContact CG-CD1 4.16Å; L267-F272 HydrophobicContact CG-CD2 4.35Å; L267-F272 HydrophobicContact CG-CE1 3.76Å; L267-F272 HydrophobicContact CG-CE2 3.95Å; L267-F272 HydrophobicContact CG-CG 4.46Å; L267-F272 HydrophobicContact CG-CZ 3.65Å; L267-F272 WeakPolarHBondContact O-CG 3.16Å; L267-F272 PolarHBondContact O-N 2.94Å; L267-F327 HydrophobicContact CD2-CD1 4.24Å; L267-F327 HydrophobicContact CD2-CE1 4.11Å; L267-V328 HydrophobicContact CB-CG2 4.25Å; L267-V328 HydrophobicContact CD2-CG2 3.31Å; L267-V328 HydrophobicContact CG-CG2 4.42Å
268V90.5Very high91.3Very high10 Ų1049.4 Ų49.46%0.06126%0.26CS..Iπ-helixtrans-71.1-50179.7-178.60000112.2V270 F272 N273 E323 S324 F327V268-V270 VanDerWaalsContact C-N 3.32Å; V268-V270 PolarHBondContact O-N 3.45Å; V268-F272 HydrophobicContact CB-CD2 4.43Å; V268-F272 HydrophobicContact CG2-CD2 3.88Å; V268-F272 HydrophobicContact CG2-CE2 4.25Å; V268-N273 PolarHBondContact O-ND2 3.39Å; V268-E323 WeakPolarHBondContact CG1-OE2 3.33Å; V268-S324 WeakPolarHBondContact CB-OG 3.3Å; V268-S324 WeakPolarHBondContact CG2-OG 3.23Å; V268-S324 PolarHBondContact N-OG 2.9Å; V268-F327 HydrophobicContact CG2-CD1 4.34Å
269P89.8Confident91.2Very high22 Ų2249.1 Ų49.114%0.14326%0.261CS..Iπ-helixtrans-65.2-34-172.1-20.532.7000113.3P265 N273 R320P265-P269 WeakPolarHBondContact O-CD 3.21Å; P265-P269 VanDerWaalsContact O-CG 3.24Å; P265-P269 WeakPolarHBondContact O-CG 3.46Å; P269-N273 PolarHBondContact O-ND2 3.48Å; P269-R320 HydrophobicContact CB-CB 4.13Å; P269-R320 HydrophobicContact CG-CB 3.81Å
270V91.3Very high91.2Very high67 Ų6748.5 Ų48.541%0.40626%0.259SS..Iπ-helixtrans-112.8-65.6-174.4-175.10000111.5L266 V268 F272 N273 L274L266-V270 HydrophobicContact CD2-CG2 4.06Å; L266-V270 WeakPolarHBondContact O-CA 3.41Å; L266-V270 WeakPolarHBondContact O-CB 3.35Å; L266-V270 PolarHBondContact O-N 3.35Å; V268-V270 VanDerWaalsContact C-N 3.32Å; V268-V270 PolarHBondContact O-N 3.45Å; V270-F272 PolarHBondContact O-N 3.49Å; V270-N273 PolarHBondContact O-N 3.39Å; V270-L274 HydrophobicContact CG1-CD1 4Å; V270-L274 WeakPolarHBondContact O-CB 3.39Å; V270-L274 VanDerWaalsContact O-CG 3.3Å; V270-L274 WeakPolarHBondContact O-CG 3.24Å; V270-L274 PolarHBondContact O-N 3.49Å
271V91.6Very high91.5Very high57 Ų5748.1 Ų48.135%0.34526%0.26SS..Iπ-helixtrans-62.1-52.3-169.1177.90000111L266 L267 L274 Q275L266-V271 PolarHBondContact O-N 3.21Å; L267-V271 HydrophobicContact CD1-CB 4.44Å; L267-V271 WeakPolarHBondContact O-CB 3.29Å; L267-V271 PolarHBondContact O-N 3.3Å; V271-L274 PolarHBondContact O-N 3.47Å; V271-Q275 VanDerWaalsContact O-CG 3.31Å; V271-Q275 WeakPolarHBondContact O-CG 3.31Å; V271-Q275 PolarHBondContact O-N 3.17Å
272F92.6Very high91.8Very high36 Ų3646.5 Ų46.516%0.15826%0.259CS..Iπ-helixtrans-67.3-41.5-179.3-71.3-4000111.7W205 L267 V268 V270 L274 Q275 N276 F327W205-F272 HydrophobicContact CH2-CB 4.01Å; W205-F272 AromaticContact CH2-CD1 3.94Å; W205-F272 HydrophobicContact CH2-CD1 3.94Å; W205-F272 AromaticContact CH2-CD2 3.48Å; W205-F272 HydrophobicContact CH2-CD2 3.48Å; W205-F272 VanDerWaalsContact CH2-CD2 3.48Å; W205-F272 HydrophobicContact CH2-CE1 4.19Å; W205-F272 AromaticContact CH2-CE2 3.77Å; W205-F272 HydrophobicContact CH2-CE2 3.77Å; W205-F272 AromaticContact CH2-CG 3.56Å; W205-F272 HydrophobicContact CH2-CG 3.56Å; W205-F272 HydrophobicContact CH2-CZ 4.1Å; W205-F272 HydrophobicContact CZ2-CB 3.95Å; W205-F272 AromaticContact CZ2-CD1 3.51Å; W205-F272 HydrophobicContact CZ2-CD1 3.51Å; W205-F272 AromaticContact CZ2-CD2 3.95Å; W205-F272 HydrophobicContact CZ2-CD2 3.95Å; W205-F272 AromaticContact CZ2-CE1 3.85Å; W205-F272 HydrophobicContact CZ2-CE1 3.85Å; W205-F272 HydrophobicContact CZ2-CE2 4.27Å; W205-F272 AromaticContact CZ2-CG 3.55Å; W205-F272 HydrophobicContact CZ2-CG 3.55Å; W205-F272 HydrophobicContact CZ2-CZ 4.21Å; L267-F272 HydrophobicContact CD1-CD1 4.02Å; L267-F272 HydrophobicContact CD1-CE1 3.5Å; L267-F272 HydrophobicContact CD1-CZ 3.84Å; L267-F272 HydrophobicContact CD2-CE1 4.25Å; L267-F272 HydrophobicContact CD2-CE2 4Å; L267-F272 HydrophobicContact CD2-CZ 3.69Å; L267-F272 HydrophobicContact CG-CD1 4.16Å; L267-F272 HydrophobicContact CG-CD2 4.35Å; L267-F272 HydrophobicContact CG-CE1 3.76Å; L267-F272 HydrophobicContact CG-CE2 3.95Å; L267-F272 HydrophobicContact CG-CG 4.46Å; L267-F272 HydrophobicContact CG-CZ 3.65Å; L267-F272 WeakPolarHBondContact O-CG 3.16Å; L267-F272 PolarHBondContact O-N 2.94Å; V268-F272 HydrophobicContact CB-CD2 4.43Å; V268-F272 HydrophobicContact CG2-CD2 3.88Å; V268-F272 HydrophobicContact CG2-CE2 4.25Å; V270-F272 PolarHBondContact O-N 3.49Å; F272-L274 VanDerWaalsContact C-N 3.33Å; F272-L274 PolarHBondContact O-N 3.07Å; F272-Q275 PolarHBondContact O-N 3.3Å; F272-N276 VanDerWaalsContact O-CB 3.26Å; F272-N276 WeakPolarHBondContact O-CB 3.3Å; F272-N276 PolarHBondContact O-N 2.84Å; F272-N276 PolarHBondContact O-ND2 3.36Å; F272-F327 HydrophobicContact CE2-CD1 4.37Å; F272-F327 AromaticContact CE2-CE1 3.7Å; F272-F327 HydrophobicContact CE2-CE1 3.7Å; F272-F327 HydrophobicContact CE2-CZ 4.2Å; F272-F327 HydrophobicContact CZ-CE1 4.12Å
273N91.4Very high91.9Very high26 Ų2649.8 Ų49.814%0.13927%0.267CS..Hα-helixtrans-58.6-44.3176.4-86.7-59.6000112V268 P269 V270 N276 L277 Y292 Y296V268-N273 PolarHBondContact O-ND2 3.39Å; P269-N273 PolarHBondContact O-ND2 3.48Å; V270-N273 PolarHBondContact O-N 3.39Å; N273-N276 PolarHBondContact O-N 3.3Å; N273-L277 WeakPolarHBondContact O-CG 3.38Å; N273-L277 PolarHBondContact O-N 3.5Å; N273-L277 VanDerWaalsContact O-N 3.08Å; N273-Y292 PolarHBondContact OD1-OH 3.08Å; N273-Y296 PolarHBondContact OD1-OH 2.89Å
274L93.1Very high92.4Very high113 Ų11358.1 Ų58.159%0.59229%0.294SS*.Hα-helixtrans-63.5-45.6176.4-70.2175.7000112.1V270 V271 F272 L277 N278V270-L274 HydrophobicContact CG1-CD1 4Å; V270-L274 WeakPolarHBondContact O-CB 3.39Å; V270-L274 VanDerWaalsContact O-CG 3.3Å; V270-L274 WeakPolarHBondContact O-CG 3.24Å; V270-L274 PolarHBondContact O-N 3.49Å; V271-L274 PolarHBondContact O-N 3.47Å; F272-L274 VanDerWaalsContact C-N 3.33Å; F272-L274 PolarHBondContact O-N 3.07Å; L274-L277 PolarHBondContact O-N 3.16Å; L274-N278 WeakPolarHBondContact O-CB 3.37Å; L274-N278 PolarHBondContact O-N 2.99Å
275Q93Very high92.5Very high74 Ų7460.4 Ų60.435%0.34631%0.306SS..Hα-helixtrans-63.8-40.9177.4-72.1178-6.300112.4V271 F272 N278 V279V271-Q275 VanDerWaalsContact O-CG 3.31Å; V271-Q275 WeakPolarHBondContact O-CG 3.31Å; V271-Q275 PolarHBondContact O-N 3.17Å; F272-Q275 PolarHBondContact O-N 3.3Å; Q275-N278 PolarHBondContact O-N 3.37Å; Q275-V279 WeakPolarHBondContact O-CB 3.49Å; Q275-V279 WeakPolarHBondContact O-CG2 3.44Å; Q275-V279 PolarHBondContact O-N 3.2Å
276N94Very high92.8Very high4 Ų466.7 Ų66.72%0.02133%0.328CS..Hα-helixtrans-60.5-50.4178.2-89-86.2000110.8A202 W205 F272 N273 N278 V279 M280A202-N276 WeakPolarHBondContact CB-OD1 3.06Å; A202-N276 PolarHBondContact N-OD1 3.18Å; W205-N276 VanDerWaalsContact CD2-ND2 3.26Å; W205-N276 VanDerWaalsContact CE3-ND2 3.27Å; F272-N276 VanDerWaalsContact O-CB 3.26Å; F272-N276 WeakPolarHBondContact O-CB 3.3Å; F272-N276 PolarHBondContact O-N 2.84Å; F272-N276 PolarHBondContact O-ND2 3.36Å; N273-N276 PolarHBondContact O-N 3.3Å; N276-N278 PolarHBondContact O-N 2.9Å; N276-V279 PolarHBondContact O-N 3.13Å; N276-M280 HydrophobicContact CB-CE 4.29Å; N276-M280 WeakPolarHBondContact O-CB 3.47Å; N276-M280 WeakPolarHBondContact O-CE 3.5Å; N276-M280 VanDerWaalsContact O-CG 3.31Å; N276-M280 WeakPolarHBondContact O-CG 3.27Å; N276-M280 PolarHBondContact O-N 3.34Å
277L93.9Very high93.2Very high59 Ų5967.2 Ų67.231%0.30933%0.334SS..Hα-helixtrans-60.7-45.6176.7-72.8172.3000111.7N273 L274 M280 I281 Y292N273-L277 WeakPolarHBondContact O-CG 3.38Å; N273-L277 PolarHBondContact O-N 3.5Å; N273-L277 VanDerWaalsContact O-N 3.08Å; L274-L277 PolarHBondContact O-N 3.16Å; L277-M280 HydrophobicContact CD2-CE 4.19Å; L277-M280 PolarHBondContact O-N 3.36Å; L277-I281 WeakPolarHBondContact O-CB 3.15Å; L277-I281 VanDerWaalsContact O-CG1 3.26Å; L277-I281 WeakPolarHBondContact O-CG1 2.95Å; L277-I281 PolarHBondContact O-N 3.04Å; L277-Y292 HydrophobicContact CD2-CD1 4.44Å; L277-Y292 HydrophobicContact CD2-CE1 3.73Å
278N93.9Very high93.5Very high99 Ų9965.4 Ų65.453%0.52933%0.325SS..Hα-helixtrans-58.3-50.9177.5-177.1-90.3000111.6L274 Q275 N276 M280 I281 S282L274-N278 WeakPolarHBondContact O-CB 3.37Å; L274-N278 PolarHBondContact O-N 2.99Å; Q275-N278 PolarHBondContact O-N 3.37Å; N276-N278 PolarHBondContact O-N 2.9Å; N278-M280 PolarHBondContact O-N 2.96Å; N278-I281 PolarHBondContact O-N 2.97Å; N278-S282 WeakPolarHBondContact O-CB 3.48Å; N278-S282 PolarHBondContact O-N 3.35Å; N278-S282 PolarHBondContact O-OG 2.88Å; N278-S282 VanDerWaalsContact O-OG 3.06Å
279V91.7Very high93.8Very high19 Ų1966.4 Ų66.412%0.11533%0.329CS..Hα-helixtrans-61.8-46.5179.9168.40000111.4W205 Q275 N276 I281 R283W205-V279 HydrophobicContact CB-CB 4.34Å; W205-V279 HydrophobicContact CB-CG1 4.15Å; Q275-V279 WeakPolarHBondContact O-CB 3.49Å; Q275-V279 WeakPolarHBondContact O-CG2 3.44Å; Q275-V279 PolarHBondContact O-N 3.2Å; N276-V279 PolarHBondContact O-N 3.13Å; V279-I281 PolarHBondContact O-N 3.32Å; V279-R283 VanDerWaalsContact O-CB 3.22Å; V279-R283 WeakPolarHBondContact O-CB 3.25Å; V279-R283 WeakPolarHBondContact O-CG 3.31Å; V279-R283 PolarHBondContact O-N 3.33Å
280M95.5Very high94.2Very high0 Ų068.2 Ų68.20%035%0.346CS..Hα-helixtrans-63.2-43.6-178.5-72-174.6-69.800112.3A202 N276 L277 N278 R284 N285 D288 L289 Y292A202-M280 HydrophobicContact CB-CE 4.49Å; A202-M280 HydrophobicContact CB-CG 3.66Å; A202-M280 HydrophobicContact CB-SD 3.7Å; N276-M280 HydrophobicContact CB-CE 4.29Å; N276-M280 WeakPolarHBondContact O-CB 3.47Å; N276-M280 WeakPolarHBondContact O-CE 3.5Å; N276-M280 VanDerWaalsContact O-CG 3.31Å; N276-M280 WeakPolarHBondContact O-CG 3.27Å; N276-M280 PolarHBondContact O-N 3.34Å; L277-M280 HydrophobicContact CD2-CE 4.19Å; L277-M280 PolarHBondContact O-N 3.36Å; N278-M280 PolarHBondContact O-N 2.96Å; M280-R284 CarbonylContact O-C 3.58Å; M280-R284 WeakPolarHBondContact O-CA 3.2Å; M280-R284 PolarHBondContact O-N 2.8Å; M280-R284 VanDerWaalsContact O-N 3.13Å; M280-N285 PolarHBondContact O-N 2.83Å; M280-D288 HydrophobicContact CG-CB 4.11Å; M280-D288 HydrophobicContact SD-CB 3.97Å; M280-L289 HydrophobicContact CB-CB 4.45Å; M280-L289 HydrophobicContact CE-CD1 4.09Å; M280-L289 WeakPolarHBondContact SD-CA 3.32Å; M280-L289 HydrophobicContact SD-CB 4.09Å; M280-L289 HydrophobicContact SD-CD1 4.23Å; M280-L289 PolarHBondContact SD-N 3.48Å; M280-L289 VanDerWaalsContact SD-N 3.39Å; M280-Y292 HydrophobicContact CE-CD1 4Å; M280-Y292 HydrophobicContact CE-CD2 3.69Å; M280-Y292 HydrophobicContact CE-CE1 4.47Å; M280-Y292 HydrophobicContact CE-CE2 4.18Å; M280-Y292 HydrophobicContact CE-CG 3.6Å; M280-Y292 HydrophobicContact SD-CG 4.3Å
281I94.8Very high94.5Very high97 Ų9768.5 Ų68.550%0.49734%0.34SS..Hα-helixtrans-74.3-53-178.1-64.8168.1000110.6L277 N278 V279 R283 R284L277-I281 WeakPolarHBondContact O-CB 3.15Å; L277-I281 VanDerWaalsContact O-CG1 3.26Å; L277-I281 WeakPolarHBondContact O-CG1 2.95Å; L277-I281 PolarHBondContact O-N 3.04Å; N278-I281 PolarHBondContact O-N 2.97Å; V279-I281 PolarHBondContact O-N 3.32Å; I281-R283 VanDerWaalsContact C-N 3.3Å; I281-R283 PolarHBondContact O-N 3.41Å; I281-R284 PolarHBondContact O-N 3.4Å; I281-R284 VanDerWaalsContact O-N 3.12Å
282S93.1Very high94.8Very high84 Ų8466.5 Ų66.559%0.58733%0.326SS*.Hα-helixtrans-66-31.7-175.6-59.40000112.8N278N278-S282 WeakPolarHBondContact O-CB 3.48Å; N278-S282 PolarHBondContact O-N 3.35Å; N278-S282 PolarHBondContact O-OG 2.88Å; N278-S282 VanDerWaalsContact O-OG 3.06Å
283R91Very high95.1Very high131 Ų13168.7 Ų68.749%0.49434%0.339SS..THydrogen-bonded Turntrans-93.80.6175.7-55.9-167.2-179.2-169.64.1113.9H208 V279 I281 N285H208-R283 PolarHBondContact NE2-NH2 3.03Å; V279-R283 VanDerWaalsContact O-CB 3.22Å; V279-R283 WeakPolarHBondContact O-CB 3.25Å; V279-R283 WeakPolarHBondContact O-CG 3.31Å; V279-R283 PolarHBondContact O-N 3.33Å; I281-R283 VanDerWaalsContact C-N 3.3Å; I281-R283 PolarHBondContact O-N 3.41Å; R283-N285 VanDerWaalsContact C-N 3.29Å; R283-N285 PolarHBondContact O-N 3.01Å; R283-N285 PolarHBondContact O-OD1 3.17Å
284R95.3Very high95.4Very high188 Ų18868.8 Ų68.871%0.70934%0.342SS*.THydrogen-bonded Turntrans56.538.3-178.4-55.7-179.6177.5-177-1.8113.3M280 I281 W286M280-R284 CarbonylContact O-C 3.58Å; M280-R284 WeakPolarHBondContact O-CA 3.2Å; M280-R284 PolarHBondContact O-N 2.8Å; M280-R284 VanDerWaalsContact O-N 3.13Å; I281-R284 PolarHBondContact O-N 3.4Å; I281-R284 VanDerWaalsContact O-N 3.12Å; R284-W286 HydrophobicContact CB-CZ2 3.95Å; R284-W286 HydrophobicContact CG-CZ2 4.02Å; R284-W286 PolarHBondContact O-N 2.91Å
285N95.1Very high95.6Very high48 Ų4863.5 Ų63.526%0.25731%0.314SS..  trans-81.667.6179-70.1-15.8000111S204 M280 R283 V287 D288 L289S204-N285 WeakPolarHBondContact CB-ND2 3.29Å; S204-N285 PolarHBondContact OG-ND2 3.28Å; M280-N285 PolarHBondContact O-N 2.83Å; R283-N285 VanDerWaalsContact C-N 3.29Å; R283-N285 PolarHBondContact O-N 3.01Å; R283-N285 PolarHBondContact O-OD1 3.17Å; N285-V287 VanDerWaalsContact C-N 3.28Å; N285-V287 PolarHBondContact O-N 3.26Å; N285-D288 HydrophobicContact CB-CB 4.36Å; N285-D288 PolarHBondContact O-N 3.15Å; N285-D288 VanDerWaalsContact O-N 3.11Å; N285-L289 PolarHBondContact O-N 3.19Å; N285-L289 VanDerWaalsContact O-N 3.08Å
286W96.7Very high95.8Very high152 Ų15261.8 Ų61.858%0.57631%0.305SS*.Hα-helixtrans-61.7-30.9-172.9-53.9124.2000114.6R284 L289 A290R284-W286 HydrophobicContact CB-CZ2 3.95Å; R284-W286 HydrophobicContact CG-CZ2 4.02Å; R284-W286 PolarHBondContact O-N 2.91Å; W286-L289 HydrophobicContact CE3-CD2 3.77Å; W286-L289 HydrophobicContact CZ3-CD2 3.85Å; W286-L289 PolarHBondContact O-N 2.71Å; W286-A290 WeakPolarHBondContact O-CB 3.24Å; W286-A290 PolarHBondContact O-N 2.88Å
287V97.3Very high96.1Very high84 Ų8466.9 Ų66.951%0.50933%0.331SS..Hα-helixtrans-65.2-42.8176.4177.50000110.9K192 N285 L289 A290 W291K192-V287 HydrophobicContact CD-CG1 4.12Å; N285-V287 VanDerWaalsContact C-N 3.28Å; N285-V287 PolarHBondContact O-N 3.26Å; V287-L289 VanDerWaalsContact C-N 3.34Å; V287-A290 PolarHBondContact O-N 2.95Å; V287-W291 PolarHBondContact O-N 3.09Å
288D97.2Very high96.3Very high4 Ų466.8 Ų66.82%0.02133%0.326CS..Hα-helixtrans-69.5-37.7177.8-7314.8000110.2K192 A202 A203 S204 M280 N285 A290 W291 Y292K192-D288 IonicContact NZ-OD1 2.8Å; K192-D288 PolarHBondContact NZ-OD1 3.4Å; A202-D288 HydrophobicContact CB-CB 3.95Å; A203-D288 PolarHBondContact N-OD2 3.45Å; S204-D288 WeakPolarHBondContact CB-OD2 3.15Å; S204-D288 PolarHBondContact N-OD2 3.15Å; S204-D288 PolarHBondContact OG-OD2 3.31Å; M280-D288 HydrophobicContact CG-CB 4.11Å; M280-D288 HydrophobicContact SD-CB 3.97Å; N285-D288 HydrophobicContact CB-CB 4.36Å; N285-D288 PolarHBondContact O-N 3.15Å; N285-D288 VanDerWaalsContact O-N 3.11Å; D288-A290 PolarHBondContact O-N 3.35Å; D288-W291 PolarHBondContact O-N 3.21Å; D288-Y292 VanDerWaalsContact O-CB 3.31Å; D288-Y292 WeakPolarHBondContact O-CB 3.45Å; D288-Y292 PolarHBondContact O-N 2.91Å
289L97.7Very high96.5Very high30 Ų3062.6 Ų62.616%0.15730%0.303CS..Hα-helixtrans-61.6-42.1174.9-175.162.9000112M280 N285 W286 V287 Y292 L293M280-L289 HydrophobicContact CB-CB 4.45Å; M280-L289 HydrophobicContact CE-CD1 4.09Å; M280-L289 WeakPolarHBondContact SD-CA 3.32Å; M280-L289 HydrophobicContact SD-CB 4.09Å; M280-L289 HydrophobicContact SD-CD1 4.23Å; M280-L289 PolarHBondContact SD-N 3.48Å; M280-L289 VanDerWaalsContact SD-N 3.39Å; N285-L289 PolarHBondContact O-N 3.19Å; N285-L289 VanDerWaalsContact O-N 3.08Å; W286-L289 HydrophobicContact CE3-CD2 3.77Å; W286-L289 HydrophobicContact CZ3-CD2 3.85Å; W286-L289 PolarHBondContact O-N 2.71Å; V287-L289 VanDerWaalsContact C-N 3.34Å; L289-Y292 HydrophobicContact CD1-CD1 4.36Å; L289-Y292 PolarHBondContact O-N 3.24Å; L289-L293 HydrophobicContact CD1-CD1 4.32Å; L289-L293 HydrophobicContact CD1-CG 4.19Å; L289-L293 HydrophobicContact CG-CD1 4.03Å; L289-L293 HydrophobicContact CG-CG 4.32Å; L289-L293 WeakPolarHBondContact O-CB 3.27Å; L289-L293 VanDerWaalsContact O-CG 3.27Å; L289-L293 WeakPolarHBondContact O-CG 3.45Å; L289-L293 PolarHBondContact O-N 2.79Å
290A98.2Very high96.8Very high60 Ų6064.8 Ų64.850%0.49631%0.311SS..Hα-helixtrans-61.8-45.117700000111.7W286 V287 D288 L293 S294W286-A290 WeakPolarHBondContact O-CB 3.24Å; W286-A290 PolarHBondContact O-N 2.88Å; V287-A290 PolarHBondContact O-N 2.95Å; D288-A290 PolarHBondContact O-N 3.35Å; A290-L293 PolarHBondContact O-N 3.25Å; A290-S294 WeakPolarHBondContact O-CB 3.41Å; A290-S294 PolarHBondContact O-N 3.47Å
291W98.1Very high97Very high73 Ų7368.5 Ų68.528%0.27734%0.337SS..Hα-helixtrans-63.9-44.7175.3-75.1118.7000112.2F193 G196 H197 V287 D288 L293 S294 F295F193-W291 HydrophobicContact CB-CH2 4.41Å; F193-W291 HydrophobicContact CD2-CE3 4.49Å; F193-W291 AromaticContact CD2-CH2 3.85Å; F193-W291 HydrophobicContact CD2-CH2 3.85Å; F193-W291 AromaticContact CD2-CZ3 3.7Å; F193-W291 HydrophobicContact CD2-CZ3 3.7Å; F193-W291 HydrophobicContact CE2-CZ3 4.45Å; G196-W291 CarbonylContact C-O 3.26Å; H197-W291 HydrophobicContact CB-CE3 3.65Å; H197-W291 HydrophobicContact CB-CZ3 3.87Å; V287-W291 PolarHBondContact O-N 3.09Å; D288-W291 PolarHBondContact O-N 3.21Å; W291-L293 PolarHBondContact O-N 2.86Å; W291-S294 WeakPolarHBondContact O-CB 3.39Å; W291-S294 PolarHBondContact O-N 2.85Å; W291-S294 PolarHBondContact O-OG 2.79Å; W291-F295 PolarHBondContact O-N 2.93Å
292Y97.6Very high97.1Very high16 Ų1665.8 Ų65.86%0.06333%0.326CS..Hα-helixtrans-56.3-49175174.4-87.1000111.9G200 N273 L277 M280 D288 L289 S294 F295 Y296G200-Y292 WeakPolarHBondContact O-CD2 3.34Å; G200-Y292 WeakPolarHBondContact O-CE2 3.33Å; N273-Y292 PolarHBondContact OD1-OH 3.08Å; L277-Y292 HydrophobicContact CD2-CD1 4.44Å; L277-Y292 HydrophobicContact CD2-CE1 3.73Å; M280-Y292 HydrophobicContact CE-CD1 4Å; M280-Y292 HydrophobicContact CE-CD2 3.69Å; M280-Y292 HydrophobicContact CE-CE1 4.47Å; M280-Y292 HydrophobicContact CE-CE2 4.18Å; M280-Y292 HydrophobicContact CE-CG 3.6Å; M280-Y292 HydrophobicContact SD-CG 4.3Å; D288-Y292 VanDerWaalsContact O-CB 3.31Å; D288-Y292 WeakPolarHBondContact O-CB 3.45Å; D288-Y292 PolarHBondContact O-N 2.91Å; L289-Y292 HydrophobicContact CD1-CD1 4.36Å; L289-Y292 PolarHBondContact O-N 3.24Å; Y292-S294 VanDerWaalsContact C-N 3.31Å; Y292-S294 PolarHBondContact O-N 3.13Å; Y292-F295 WeakPolarHBondContact O-CB 3.2Å; Y292-F295 PolarHBondContact O-N 3.34Å; Y292-Y296 HydrophobicContact CD1-CD2 4.14Å; Y292-Y296 HydrophobicContact CD1-CE2 4.17Å; Y292-Y296 HydrophobicContact CD2-CE2 4.18Å; Y292-Y296 AromaticContact CE1-CD2 3.76Å; Y292-Y296 HydrophobicContact CE1-CD2 3.76Å; Y292-Y296 AromaticContact CE1-CE2 3.56Å; Y292-Y296 HydrophobicContact CE1-CE2 3.56Å; Y292-Y296 HydrophobicContact CE2-CD2 4.47Å; Y292-Y296 AromaticContact CE2-CE2 3.6Å; Y292-Y296 HydrophobicContact CE2-CE2 3.6Å; Y292-Y296 HydrophobicContact CG-CE2 4.44Å; Y292-Y296 AromaticContact CZ-CD2 3.95Å; Y292-Y296 AromaticContact CZ-CE2 3.23Å; Y292-Y296 WeakPolarHBondContact O-CD2 3.44Å; Y292-Y296 WeakPolarHBondContact OH-CE2 3.36Å
293L97.8Very high97.4Very high81 Ų8162.2 Ų62.242%0.42430%0.3SS..Hα-helixtrans-64.8-36.9178.4-70.2174.8000111.7L289 A290 W291 F295 Y296 I297L289-L293 HydrophobicContact CD1-CD1 4.32Å; L289-L293 HydrophobicContact CD1-CG 4.19Å; L289-L293 HydrophobicContact CG-CD1 4.03Å; L289-L293 HydrophobicContact CG-CG 4.32Å; L289-L293 WeakPolarHBondContact O-CB 3.27Å; L289-L293 VanDerWaalsContact O-CG 3.27Å; L289-L293 WeakPolarHBondContact O-CG 3.45Å; L289-L293 PolarHBondContact O-N 2.79Å; A290-L293 PolarHBondContact O-N 3.25Å; W291-L293 PolarHBondContact O-N 2.86Å; L293-F295 PolarHBondContact O-N 2.73Å; L293-Y296 PolarHBondContact O-N 3.39Å; L293-Y296 VanDerWaalsContact O-N 3.14Å; L293-I297 HydrophobicContact CB-CD1 4.42Å; L293-I297 WeakPolarHBondContact O-CB 3.33Å; L293-I297 VanDerWaalsContact O-CG1 3.29Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 2.99Å
294S98.4Very high97.7Very high29 Ų2958.1 Ų58.120%0.20329%0.29CS..Hα-helixtrans-60.5-33.8177.578.80000112.8H197 A290 W291 Y292 R298H197-S294 PolarHBondContact ND1-OG 3.23Å; A290-S294 WeakPolarHBondContact O-CB 3.41Å; A290-S294 PolarHBondContact O-N 3.47Å; W291-S294 WeakPolarHBondContact O-CB 3.39Å; W291-S294 PolarHBondContact O-N 2.85Å; W291-S294 PolarHBondContact O-OG 2.79Å; Y292-S294 VanDerWaalsContact C-N 3.31Å; Y292-S294 PolarHBondContact O-N 3.13Å; S294-R298 WeakPolarHBondContact O-CB 3.28Å; S294-R298 PolarHBondContact O-N 3.07Å
295F98Very high97.9Very high2 Ų254 Ų541%0.00929%0.288CS..Hα-helixtrans-60.7-51.8172.7168.5-93.5000111G196 H197 L198 W291 Y292 L293 R298 Y299 R320G196-F295 WeakPolarHBondContact O-CB 3.13Å; H197-F295 WeakPolarHBondContact O-CA 3.44Å; H197-F295 WeakPolarHBondContact O-CB 3.33Å; H197-F295 WeakPolarHBondContact O-CD2 3.38Å; L198-F295 VanDerWaalsContact O-CD2 3.26Å; L198-F295 WeakPolarHBondContact O-CD2 3.35Å; L198-F295 WeakPolarHBondContact O-CE2 3.31Å; W291-F295 PolarHBondContact O-N 2.93Å; Y292-F295 WeakPolarHBondContact O-CB 3.2Å; Y292-F295 PolarHBondContact O-N 3.34Å; L293-F295 PolarHBondContact O-N 2.73Å; F295-R298 PolarHBondContact O-N 3.11Å; F295-Y299 HydrophobicContact CZ-CD2 4.43Å; F295-Y299 VanDerWaalsContact O-CB 3.27Å; F295-Y299 WeakPolarHBondContact O-CB 3.12Å; F295-Y299 PolarHBondContact O-N 3.14Å; F295-R320 VanDerWaalsContact CZ-NH2 3.27Å
296Y97.6Very high98Very high38 Ų3853.9 Ų53.915%0.14929%0.286CS..Hα-helixtrans-68.9-39.5-177.1-73.3-78.1000112.1N273 Y292 L293 R298 Y299 F300N273-Y296 PolarHBondContact OD1-OH 2.89Å; Y292-Y296 HydrophobicContact CD1-CD2 4.14Å; Y292-Y296 HydrophobicContact CD1-CE2 4.17Å; Y292-Y296 HydrophobicContact CD2-CE2 4.18Å; Y292-Y296 AromaticContact CE1-CD2 3.76Å; Y292-Y296 HydrophobicContact CE1-CD2 3.76Å; Y292-Y296 AromaticContact CE1-CE2 3.56Å; Y292-Y296 HydrophobicContact CE1-CE2 3.56Å; Y292-Y296 HydrophobicContact CE2-CD2 4.47Å; Y292-Y296 AromaticContact CE2-CE2 3.6Å; Y292-Y296 HydrophobicContact CE2-CE2 3.6Å; Y292-Y296 HydrophobicContact CG-CE2 4.44Å; Y292-Y296 AromaticContact CZ-CD2 3.95Å; Y292-Y296 AromaticContact CZ-CE2 3.23Å; Y292-Y296 WeakPolarHBondContact O-CD2 3.44Å; Y292-Y296 WeakPolarHBondContact OH-CE2 3.36Å; L293-Y296 PolarHBondContact O-N 3.39Å; L293-Y296 VanDerWaalsContact O-N 3.14Å; Y296-R298 PolarHBondContact O-N 2.9Å; Y296-Y299 PolarHBondContact O-N 3.23Å; Y296-F300 HydrophobicContact CD1-CD2 4.47Å; Y296-F300 AromaticContact CD1-CE2 3.79Å; Y296-F300 HydrophobicContact CD1-CE2 3.79Å; Y296-F300 WeakPolarHBondContact O-CB 3.45Å; Y296-F300 WeakPolarHBondContact O-CD2 3.43Å; Y296-F300 PolarHBondContact O-N 3.23Å
297I98.6Very high98.1Very high110 Ų11048.6 Ų48.656%0.56427%0.267SS*.Hα-helixtrans-58.5-50.1174.2-69.6165.5000109.8L293 S301L293-I297 HydrophobicContact CB-CD1 4.42Å; L293-I297 WeakPolarHBondContact O-CB 3.33Å; L293-I297 VanDerWaalsContact O-CG1 3.29Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 2.99Å; I297-S301 WeakPolarHBondContact O-CB 3.41Å; I297-S301 PolarHBondContact O-N 3.2Å; I297-S301 PolarHBondContact O-OG 3.47Å
298R98.2Very high98.1Very high57 Ų5746.2 Ų46.222%0.21526%0.26CS..Hα-helixtrans-59.3-52.5177.4177.8-172.269.3147.712.9111.1E137 H197 S294 F295 Y296 F300 S301 C302E137-R298 IonicContact OE1-CZ 3.77Å; E137-R298 IonicContact OE1-NH1 2.72Å; E137-R298 IonicContact OE1-NH2 2.79Å; E137-R298 PolarHBondContact OE1-NH2 3.37Å; E137-R298 IonicContact OE2-CZ 2.64Å; E137-R298 IonicContact OE2-NH1 3.76Å; E137-R298 PolarHBondContact OE2-NH1 3.49Å; E137-R298 IonicContact OE2-NH2 3.68Å; E137-R298 PolarHBondContact OE2-NH2 3.46Å; E137-R298 VanDerWaalsContact OE2-NH2 3.12Å; H197-R298 PolarHBondContact O-NH2 3.24Å; S294-R298 WeakPolarHBondContact O-CB 3.28Å; S294-R298 PolarHBondContact O-N 3.07Å; F295-R298 PolarHBondContact O-N 3.11Å; Y296-R298 PolarHBondContact O-N 2.9Å; R298-F300 PolarHBondContact O-N 3.38Å; R298-S301 PolarHBondContact O-N 3.44Å; R298-C302 WeakPolarHBondContact O-CB 3.31Å; R298-C302 PolarHBondContact O-N 2.95Å; R298-C302 PolarHBondContact O-SG 3.34Å
299Y98.5Very high98.2Very high11 Ų1150.3 Ų50.34%0.04328%0.284CS..Hα-helixtrans-57.4-52.4-178.5178.6-87.3000111.7L161 F295 Y296 S301 C302 Y303 A312 L315 N316L161-Y299 HydrophobicContact CD1-CE2 4.41Å; F295-Y299 HydrophobicContact CZ-CD2 4.43Å; F295-Y299 VanDerWaalsContact O-CB 3.27Å; F295-Y299 WeakPolarHBondContact O-CB 3.12Å; F295-Y299 PolarHBondContact O-N 3.14Å; Y296-Y299 PolarHBondContact O-N 3.23Å; Y299-S301 PolarHBondContact O-N 2.86Å; Y299-C302 PolarHBondContact O-N 3.43Å; Y299-Y303 AromaticContact CD2-CD2 3.72Å; Y299-Y303 HydrophobicContact CD2-CD2 3.72Å; Y299-Y303 AromaticContact CD2-CE2 3.93Å; Y299-Y303 HydrophobicContact CD2-CE2 3.93Å; Y299-Y303 HydrophobicContact CE1-CD2 4.38Å; Y299-Y303 AromaticContact CE2-CD2 3.58Å; Y299-Y303 HydrophobicContact CE2-CD2 3.58Å; Y299-Y303 AromaticContact CE2-CE2 3.85Å; Y299-Y303 HydrophobicContact CE2-CE2 3.85Å; Y299-Y303 HydrophobicContact CE2-CG 4.41Å; Y299-Y303 HydrophobicContact CG-CD2 4.18Å; Y299-Y303 AromaticContact CZ-CD2 3.91Å; Y299-Y303 VanDerWaalsContact O-CD2 3.28Å; Y299-Y303 WeakPolarHBondContact O-CD2 3.49Å; Y299-Y303 PolarHBondContact O-N 3.25Å; Y299-A312 WeakPolarHBondContact CE1-O 3.32Å; Y299-A312 PolarHBondContact OH-O 2.87Å; Y299-L315 WeakPolarHBondContact OH-CB 3.47Å; Y299-L315 WeakPolarHBondContact OH-CG 3.4Å; Y299-N316 HydrophobicContact CD1-CB 4.47Å; Y299-N316 HydrophobicContact CE1-CB 3.61Å; Y299-N316 VanDerWaalsContact OH-CA 3.26Å; Y299-N316 WeakPolarHBondContact OH-CA 3.48Å; Y299-N316 WeakPolarHBondContact OH-CB 3.22Å; Y299-N316 PolarHBondContact OH-N 2.89Å
300F98.6Very high98.2Very high65 Ų6557.8 Ų57.829%0.28532%0.316SS..Hα-helixtrans-69.3-34.7-178.3-72.3-61.6000112.4Y296 R298 C302 Y303 V304 A312 V313Y296-F300 HydrophobicContact CD1-CD2 4.47Å; Y296-F300 AromaticContact CD1-CE2 3.79Å; Y296-F300 HydrophobicContact CD1-CE2 3.79Å; Y296-F300 WeakPolarHBondContact O-CB 3.45Å; Y296-F300 WeakPolarHBondContact O-CD2 3.43Å; Y296-F300 PolarHBondContact O-N 3.23Å; R298-F300 PolarHBondContact O-N 3.38Å; F300-C302 VanDerWaalsContact C-N 3.26Å; F300-C302 PolarHBondContact O-N 2.9Å; F300-Y303 PolarHBondContact O-N 2.89Å; F300-V304 HydrophobicContact CB-CG2 3.96Å; F300-V304 HydrophobicContact CD1-CG2 3.9Å; F300-V304 HydrophobicContact CG-CG2 4.41Å; F300-V304 WeakPolarHBondContact O-CB 3.49Å; F300-V304 WeakPolarHBondContact O-CG2 3.35Å; F300-V304 PolarHBondContact O-N 3.32Å; F300-A312 HydrophobicContact CD1-CB 4.11Å; F300-A312 HydrophobicContact CE1-CB 4.35Å; F300-V313 HydrophobicContact CE1-CG2 3.75Å; F300-V313 HydrophobicContact CZ-CG2 4.09Å
301S98.4Very high98.2Very high78 Ų7856 Ų5655%0.54530%0.304SS..Hα-helixtrans-62.7-34.5173.5-57.20000112.3I297 R298 Y299 P305I297-S301 WeakPolarHBondContact O-CB 3.41Å; I297-S301 PolarHBondContact O-N 3.2Å; I297-S301 PolarHBondContact O-OG 3.47Å; R298-S301 PolarHBondContact O-N 3.44Å; Y299-S301 PolarHBondContact O-N 2.86Å; S301-P305 VanDerWaalsContact O-CD 3.27Å; S301-P305 WeakPolarHBondContact O-CD 3.17Å; S301-P305 WeakPolarHBondContact O-CG 3.41Å
302C98.1Very high98.2Very high40 Ų4052.6 Ų52.627%0.2729%0.291SS..Hα-helixtrans-75.9-40.6178.2-73.50000113.4W141 R298 Y299 F300W141-C302 PolarHBondContact NE1-O 3.12Å; W141-C302 VanDerWaalsContact NE1-O 3.1Å; R298-C302 WeakPolarHBondContact O-CB 3.31Å; R298-C302 PolarHBondContact O-N 2.95Å; R298-C302 PolarHBondContact O-SG 3.34Å; Y299-C302 PolarHBondContact O-N 3.43Å; F300-C302 VanDerWaalsContact C-N 3.26Å; F300-C302 PolarHBondContact O-N 2.9Å
303Y98.5Very high98.2Very high9 Ų954.5 Ų54.54%0.03530%0.304CS..Hα-helixtrans-106.6-22.7-167.1-68.7-74.7000114.9V144 L161 Y299 F300 L306 Y307 L315V144-Y303 HydrophobicContact CG2-CE1 4.03Å; L161-Y303 HydrophobicContact CD1-CE1 4.49Å; L161-Y303 HydrophobicContact CD1-CE2 4.22Å; Y299-Y303 AromaticContact CD2-CD2 3.72Å; Y299-Y303 HydrophobicContact CD2-CD2 3.72Å; Y299-Y303 AromaticContact CD2-CE2 3.93Å; Y299-Y303 HydrophobicContact CD2-CE2 3.93Å; Y299-Y303 HydrophobicContact CE1-CD2 4.38Å; Y299-Y303 AromaticContact CE2-CD2 3.58Å; Y299-Y303 HydrophobicContact CE2-CD2 3.58Å; Y299-Y303 AromaticContact CE2-CE2 3.85Å; Y299-Y303 HydrophobicContact CE2-CE2 3.85Å; Y299-Y303 HydrophobicContact CE2-CG 4.41Å; Y299-Y303 HydrophobicContact CG-CD2 4.18Å; Y299-Y303 AromaticContact CZ-CD2 3.91Å; Y299-Y303 VanDerWaalsContact O-CD2 3.28Å; Y299-Y303 WeakPolarHBondContact O-CD2 3.49Å; Y299-Y303 PolarHBondContact O-N 3.25Å; F300-Y303 PolarHBondContact O-N 2.89Å; Y303-L306 PolarHBondContact O-N 2.83Å; Y303-Y307 HydrophobicContact CD1-CD2 4.1Å; Y303-Y307 HydrophobicContact CD1-CE2 4.02Å; Y303-Y307 PolarHBondContact O-N 3.34Å; Y303-L315 HydrophobicContact CD1-CD2 3.81Å; Y303-L315 HydrophobicContact CE1-CD2 4.13Å; Y303-L315 HydrophobicContact CG-CD2 4.25Å
304V98.6Very high98.2Very high45 Ų4553.4 Ų53.427%0.27331%0.307SS..Hα-helixtrans-62.3-41.2175.2172.50000112.4F300 L306 G308 V309 A312F300-V304 HydrophobicContact CB-CG2 3.96Å; F300-V304 HydrophobicContact CD1-CG2 3.9Å; F300-V304 HydrophobicContact CG-CG2 4.41Å; F300-V304 WeakPolarHBondContact O-CB 3.49Å; F300-V304 WeakPolarHBondContact O-CG2 3.35Å; F300-V304 PolarHBondContact O-N 3.32Å; V304-L306 PolarHBondContact O-N 3.39Å; V304-L306 VanDerWaalsContact O-N 3.16Å; V304-G308 WeakPolarHBondContact O-CA 3.45Å; V304-G308 PolarHBondContact O-N 3.42Å; V304-V309 HydrophobicContact CG1-CG2 4Å; V304-A312 HydrophobicContact CG2-CB 3.86Å
305P98.3Very high98.2Very high103 Ų10352.4 Ų52.467%0.66930%0.299SS*.Hα-helixtrans-61.8-22175.9-25.236.2000114.3S301S301-P305 VanDerWaalsContact O-CD 3.27Å; S301-P305 WeakPolarHBondContact O-CD 3.17Å; S301-P305 WeakPolarHBondContact O-CG 3.41Å
306L97.8Very high98.2Very high44 Ų4453 Ų5323%0.2330%0.302CS..Hα-helixtrans-98.8-37.7-175.6-57.7178.9000112.8V144 W145 T149 Y303 V304V144-L306 HydrophobicContact CB-CD1 4.46Å; V144-L306 HydrophobicContact CG2-CD1 3.65Å; W145-L306 HydrophobicContact CB-CD1 4.34Å; T149-L306 HydrophobicContact CG2-CB 4.14Å; Y303-L306 PolarHBondContact O-N 2.83Å; V304-L306 PolarHBondContact O-N 3.39Å; V304-L306 VanDerWaalsContact O-N 3.16Å
307Y97.9Very high98.1Very high41 Ų4155.7 Ų55.716%0.16132%0.319CS..Hα-helixtrans-115.7-4.9-172.1-72.9-81.5000114V144 T149 T154 Y303 G311 L315V144-Y307 HydrophobicContact CB-CE2 4.46Å; V144-Y307 WeakPolarHBondContact CG1-OH 3.27Å; V144-Y307 HydrophobicContact CG2-CE2 4.36Å; T149-Y307 HydrophobicContact CG2-CD1 4.02Å; T149-Y307 HydrophobicContact CG2-CD2 4.18Å; T149-Y307 HydrophobicContact CG2-CE1 3.61Å; T149-Y307 HydrophobicContact CG2-CE2 3.78Å; T149-Y307 HydrophobicContact CG2-CG 4.29Å; T149-Y307 VanDerWaalsContact CG2-CZ 3.47Å; T154-Y307 HydrophobicContact CG2-CE1 3.85Å; T154-Y307 VanDerWaalsContact OG1-CE1 3.29Å; T154-Y307 WeakPolarHBondContact OG1-CE1 3.42Å; T154-Y307 PolarHBondContact OG1-OH 3.47Å; Y303-Y307 HydrophobicContact CD1-CD2 4.1Å; Y303-Y307 HydrophobicContact CD1-CE2 4.02Å; Y303-Y307 PolarHBondContact O-N 3.34Å; Y307-G311 WeakPolarHBondContact O-CA 3.1Å; Y307-G311 PolarHBondContact O-N 2.75Å; Y307-L315 HydrophobicContact CD2-CD2 4.26Å; Y307-L315 HydrophobicContact CE2-CD2 3.97Å
308G98.2Very high98.1Very high35 Ų3554.6 Ų54.636%0.36131%0.31SS..Hα-helixtrans66.8176.5-164.100000112.3V304 A312V304-G308 WeakPolarHBondContact O-CA 3.45Å; V304-G308 PolarHBondContact O-N 3.42Å; G308-A312 VanDerWaalsContact O-CB 3.29Å; G308-A312 WeakPolarHBondContact O-CB 3.39Å; G308-A312 PolarHBondContact O-N 2.94Å
309V98.3Very high98Very high90 Ų9052 Ų5255%0.54530%0.301SS..Hα-helixtrans-61.6-51.6-177.2176.80000111.4V304 G311 A312 V313V304-V309 HydrophobicContact CG1-CG2 4Å; V309-G311 PolarHBondContact O-N 3.46Å; V309-A312 PolarHBondContact O-N 3.42Å; V309-V313 WeakPolarHBondContact O-CG2 3.12Å; V309-V313 PolarHBondContact O-N 3.38Å
310F98.2Very high97.9Very high186 Ų18651.8 Ų51.882%0.81630%0.3SS*.Hα-helixtrans-65.2-41.4-177.4-65.4-69.1000112.6V313 A314F310-V313 PolarHBondContact O-N 2.81Å; F310-A314 WeakPolarHBondContact O-CB 3.4Å; F310-A314 PolarHBondContact O-N 3.41Å
311G98.1Very high97.8Very high24 Ų2452.2 Ų52.225%0.24730%0.302CS..Hα-helixtrans-67.2-39.317800000112.5Y307 V309 A314 L315Y307-G311 WeakPolarHBondContact O-CA 3.1Å; Y307-G311 PolarHBondContact O-N 2.75Å; V309-G311 PolarHBondContact O-N 3.46Å; G311-A314 PolarHBondContact O-N 3.37Å; G311-L315 WeakPolarHBondContact O-CB 3.43Å; G311-L315 PolarHBondContact O-N 2.95Å
312A98.4Very high97.7Very high0 Ų050.8 Ų50.80%029%0.288CS..Hα-helixtrans-65.2-39.4175.800000112.4Y299 F300 V304 G308 V309 N316Y299-A312 WeakPolarHBondContact CE1-O 3.32Å; Y299-A312 PolarHBondContact OH-O 2.87Å; F300-A312 HydrophobicContact CD1-CB 4.11Å; F300-A312 HydrophobicContact CE1-CB 4.35Å; V304-A312 HydrophobicContact CG2-CB 3.86Å; G308-A312 VanDerWaalsContact O-CB 3.29Å; G308-A312 WeakPolarHBondContact O-CB 3.39Å; G308-A312 PolarHBondContact O-N 2.94Å; V309-A312 PolarHBondContact O-N 3.42Å; A312-N316 WeakPolarHBondContact O-CB 3.23Å; A312-N316 PolarHBondContact O-N 3.45Å
313V98.1Very high97.6Very high57 Ų5748.9 Ų48.935%0.34528%0.275SS..Hα-helixtrans-64.5-46.8173.2171.30000110.8F300 V309 F310 L315 N316 L317F300-V313 HydrophobicContact CE1-CG2 3.75Å; F300-V313 HydrophobicContact CZ-CG2 4.09Å; V309-V313 WeakPolarHBondContact O-CG2 3.12Å; V309-V313 PolarHBondContact O-N 3.38Å; F310-V313 PolarHBondContact O-N 2.81Å; V313-L315 PolarHBondContact O-N 3.42Å; V313-N316 WeakPolarHBondContact O-CB 3.49Å; V313-N316 PolarHBondContact O-N 3.34Å; V313-N316 VanDerWaalsContact O-N 3.1Å; V313-L317 HydrophobicContact CG1-CD1 4.02Å; V313-L317 HydrophobicContact CG1-CG 4.39Å; V313-L317 WeakPolarHBondContact O-CG 3.41Å; V313-L317 PolarHBondContact O-N 3.05Å
314A98Very high97.5Very high58 Ų5848.5 Ų48.548%0.47927%0.273SS..Hα-helixtrans-60.3-44.9178.100000111.8F310 G311 N316 L317 F318F310-A314 WeakPolarHBondContact O-CB 3.4Å; F310-A314 PolarHBondContact O-N 3.41Å; G311-A314 PolarHBondContact O-N 3.37Å; A314-N316 VanDerWaalsContact C-N 3.3Å; A314-N316 PolarHBondContact O-N 3.24Å; A314-L317 PolarHBondContact O-N 3.06Å; A314-F318 WeakPolarHBondContact O-CB 3.25Å; A314-F318 PolarHBondContact O-N 2.86Å
315L98.2Very high97.4Very high8 Ų847.4 Ų47.44%0.04227%0.265CS..Hα-helixtrans-59.1-42.3173.3178.161.9000111.1T154 A158 Y299 Y303 Y307 G311 V313 F318 V319T154-L315 HydrophobicContact CG2-CD1 4.07Å; A158-L315 HydrophobicContact CB-CD1 3.89Å; Y299-L315 WeakPolarHBondContact OH-CB 3.47Å; Y299-L315 WeakPolarHBondContact OH-CG 3.4Å; Y303-L315 HydrophobicContact CD1-CD2 3.81Å; Y303-L315 HydrophobicContact CE1-CD2 4.13Å; Y303-L315 HydrophobicContact CG-CD2 4.25Å; Y307-L315 HydrophobicContact CD2-CD2 4.26Å; Y307-L315 HydrophobicContact CE2-CD2 3.97Å; G311-L315 WeakPolarHBondContact O-CB 3.43Å; G311-L315 PolarHBondContact O-N 2.95Å; V313-L315 PolarHBondContact O-N 3.42Å; L315-F318 PolarHBondContact O-N 3.39Å; L315-V319 HydrophobicContact CD1-CG2 4.16Å; L315-V319 HydrophobicContact CG-CG2 4.45Å; L315-V319 WeakPolarHBondContact O-CB 3.41Å; L315-V319 VanDerWaalsContact O-CG2 3.27Å; L315-V319 WeakPolarHBondContact O-CG2 3.43Å; L315-V319 PolarHBondContact O-N 3.34Å
316N97.5Very high97.3Very high13 Ų1344.3 Ų44.37%0.0724%0.24CC..Hα-helixtrans-63.5-49.6-179.5-169.7-99.3000110.8Y299 A312 V313 A314 F318 V319 R320Y299-N316 HydrophobicContact CD1-CB 4.47Å; Y299-N316 HydrophobicContact CE1-CB 3.61Å; Y299-N316 VanDerWaalsContact OH-CA 3.26Å; Y299-N316 WeakPolarHBondContact OH-CA 3.48Å; Y299-N316 WeakPolarHBondContact OH-CB 3.22Å; Y299-N316 PolarHBondContact OH-N 2.89Å; A312-N316 WeakPolarHBondContact O-CB 3.23Å; A312-N316 PolarHBondContact O-N 3.45Å; V313-N316 WeakPolarHBondContact O-CB 3.49Å; V313-N316 PolarHBondContact O-N 3.34Å; V313-N316 VanDerWaalsContact O-N 3.1Å; A314-N316 VanDerWaalsContact C-N 3.3Å; A314-N316 PolarHBondContact O-N 3.24Å; N316-F318 VanDerWaalsContact C-N 3.27Å; N316-F318 PolarHBondContact O-N 3.19Å; N316-V319 PolarHBondContact O-N 3.35Å; N316-R320 WeakPolarHBondContact O-CB 3.5Å; N316-R320 WeakPolarHBondContact O-CG 3.13Å; N316-R320 PolarHBondContact O-N 3.4Å
317L96.2Very high97.3Very high96 Ų9644.2 Ų44.250%0.50324%0.238SC..Hα-helixtrans-59.7-40.2178.5-69.4174000111.4V313 A314 R320 F321V313-L317 HydrophobicContact CG1-CD1 4.02Å; V313-L317 HydrophobicContact CG1-CG 4.39Å; V313-L317 WeakPolarHBondContact O-CG 3.41Å; V313-L317 PolarHBondContact O-N 3.05Å; A314-L317 PolarHBondContact O-N 3.06Å; L317-R320 PolarHBondContact O-N 3.17Å; L317-F321 WeakPolarHBondContact O-CB 3.19Å; L317-F321 PolarHBondContact O-N 2.78Å
318F97.1Very high97.1Very high86 Ų8642.4 Ų42.438%0.37723%0.232SC..Hα-helixtrans-68.5-41.6177.4-173.2-116.6000112.7L155 A158 A314 L315 N316 R320 F321 L322L155-F318 HydrophobicContact CD1-CE1 3.89Å; L155-F318 HydrophobicContact CD1-CZ 4.19Å; A158-F318 HydrophobicContact CB-CD1 3.62Å; A158-F318 HydrophobicContact CB-CE1 3.84Å; A314-F318 WeakPolarHBondContact O-CB 3.25Å; A314-F318 PolarHBondContact O-N 2.86Å; L315-F318 PolarHBondContact O-N 3.39Å; N316-F318 VanDerWaalsContact C-N 3.27Å; N316-F318 PolarHBondContact O-N 3.19Å; F318-R320 VanDerWaalsContact C-N 3.33Å; F318-R320 PolarHBondContact O-N 2.98Å; F318-F321 HydrophobicContact CD2-CD1 4.48Å; F318-F321 HydrophobicContact CE2-CD1 4.42Å; F318-F321 WeakPolarHBondContact O-CB 3.24Å; F318-F321 PolarHBondContact O-N 3.14Å; F318-L322 HydrophobicContact CD1-CD1 4.26Å; F318-L322 HydrophobicContact CE1-CD1 3.8Å; F318-L322 HydrophobicContact CE1-CG 4.35Å; F318-L322 HydrophobicContact CE2-CD2 4.49Å; F318-L322 HydrophobicContact CE2-CG 4.49Å; F318-L322 HydrophobicContact CZ-CD1 4.09Å; F318-L322 HydrophobicContact CZ-CD2 4.23Å; F318-L322 HydrophobicContact CZ-CG 4.24Å; F318-L322 WeakPolarHBondContact O-CG 3.49Å; F318-L322 PolarHBondContact O-N 3.48Å
319V97.9Very high97Very high4 Ų442.8 Ų42.82%0.02422%0.222CC..Hα-helixtrans-60-45172.4168.80000110.9A158 L161 A162 Q165 L315 N316 F321 L322 E323A158-V319 HydrophobicContact CB-CG2 3.97Å; L161-V319 HydrophobicContact CB-CG1 3.87Å; L161-V319 HydrophobicContact CB-CG2 3.82Å; L161-V319 HydrophobicContact CD1-CG2 4.01Å; A162-V319 HydrophobicContact CB-CG1 4.41Å; Q165-V319 HydrophobicContact CG-CG1 4.24Å; L315-V319 HydrophobicContact CD1-CG2 4.16Å; L315-V319 HydrophobicContact CG-CG2 4.45Å; L315-V319 WeakPolarHBondContact O-CB 3.41Å; L315-V319 VanDerWaalsContact O-CG2 3.27Å; L315-V319 WeakPolarHBondContact O-CG2 3.43Å; L315-V319 PolarHBondContact O-N 3.34Å; N316-V319 PolarHBondContact O-N 3.35Å; V319-F321 VanDerWaalsContact C-N 3.33Å; V319-F321 PolarHBondContact O-N 3.22Å; V319-L322 PolarHBondContact O-N 2.96Å; V319-E323 WeakPolarHBondContact O-CB 3.35Å; V319-E323 PolarHBondContact O-N 3.49Å
320R96Very high96.9Very high6 Ų638.5 Ų38.52%0.02320%0.196CC..Hα-helixtrans-64.1-38.3177.4-66.8-66.7-176-175.91111.9K199 P269 F295 N316 L317 F318 E323 S324K199-R320 VanDerWaalsContact O-CZ 3.23Å; K199-R320 PolarHBondContact O-NH1 3.07Å; K199-R320 PolarHBondContact O-NH2 2.85Å; P269-R320 HydrophobicContact CB-CB 4.13Å; P269-R320 HydrophobicContact CG-CB 3.81Å; F295-R320 VanDerWaalsContact CZ-NH2 3.27Å; N316-R320 WeakPolarHBondContact O-CB 3.5Å; N316-R320 WeakPolarHBondContact O-CG 3.13Å; N316-R320 PolarHBondContact O-N 3.4Å; L317-R320 PolarHBondContact O-N 3.17Å; F318-R320 VanDerWaalsContact C-N 3.33Å; F318-R320 PolarHBondContact O-N 2.98Å; R320-E323 IonicContact NH1-OE2 3.2Å; R320-S324 WeakPolarHBondContact O-CB 3.49Å; R320-S324 PolarHBondContact O-N 3.48Å
321F95.8Very high96.7Very high73 Ų7330.8 Ų30.832%0.3216%0.164SC..Hα-helixtrans-58.4-53.6172.9171.4-87.2000110.8P265 L317 F318 V319 E323 S324 H325P265-F321 HydrophobicContact CB-CD2 3.89Å; P265-F321 HydrophobicContact CB-CE2 3.85Å; P265-F321 HydrophobicContact CG-CD2 4.29Å; P265-F321 HydrophobicContact CG-CE2 3.79Å; L317-F321 WeakPolarHBondContact O-CB 3.19Å; L317-F321 PolarHBondContact O-N 2.78Å; F318-F321 HydrophobicContact CD2-CD1 4.48Å; F318-F321 HydrophobicContact CE2-CD1 4.42Å; F318-F321 WeakPolarHBondContact O-CB 3.24Å; F318-F321 PolarHBondContact O-N 3.14Å; V319-F321 VanDerWaalsContact C-N 3.33Å; V319-F321 PolarHBondContact O-N 3.22Å; F321-E323 PolarHBondContact O-N 3.37Å; F321-S324 PolarHBondContact O-N 3.17Å; F321-H325 AromaticContact CD2-CE1 3.6Å; F321-H325 AromaticContact CE1-CE1 3.65Å; F321-H325 AromaticContact CE1-ND1 3.93Å; F321-H325 AromaticContact CE2-CE1 3.23Å; F321-H325 WeakPolarHBondContact CE2-CE1 3.37Å; F321-H325 AromaticContact CE2-NE2 3.96Å; F321-H325 AromaticContact CG-CE1 3.99Å; F321-H325 AromaticContact CZ-CE1 3.22Å; F321-H325 WeakPolarHBondContact CZ-CE1 3.28Å; F321-H325 AromaticContact CZ-ND1 3.97Å; F321-H325 AromaticContact CZ-NE2 3.73Å; F321-H325 PolarHBondContact O-N 3.05Å; F321-H325 PolarHBondContact O-ND1 2.74Å
322L97Very high96.5Very high48 Ų4830.7 Ų30.725%0.25116%0.157SC..Hα-helixtrans-59.9-46.9-179.5-68176.9000112.1A158 V159 A162 F318 V319 S324 H325 W326A158-L322 HydrophobicContact CB-CD1 4.29Å; V159-L322 HydrophobicContact CG2-CD1 4.46Å; A162-L322 HydrophobicContact CB-CB 3.7Å; A162-L322 HydrophobicContact CB-CD1 4.2Å; F318-L322 HydrophobicContact CD1-CD1 4.26Å; F318-L322 HydrophobicContact CE1-CD1 3.8Å; F318-L322 HydrophobicContact CE1-CG 4.35Å; F318-L322 HydrophobicContact CE2-CD2 4.49Å; F318-L322 HydrophobicContact CE2-CG 4.49Å; F318-L322 HydrophobicContact CZ-CD1 4.09Å; F318-L322 HydrophobicContact CZ-CD2 4.23Å; F318-L322 HydrophobicContact CZ-CG 4.24Å; F318-L322 WeakPolarHBondContact O-CG 3.49Å; F318-L322 PolarHBondContact O-N 3.48Å; V319-L322 PolarHBondContact O-N 2.96Å; L322-S324 PolarHBondContact O-N 3.07Å; L322-H325 PolarHBondContact O-N 3.31Å; L322-W326 PolarHBondContact O-N 3.38Å; L322-W326 VanDerWaalsContact O-N 3.16Å
323E96.4Very high96.4Very high1 Ų130.7 Ų30.71%0.00516%0.157CC..Hα-helixtrans-64.4-40.4179.5178.7-99.9144.800112.3Q165 K199 V268 V319 R320 F321 H325 W326 F327Q165-E323 HydrophobicContact CB-CB 4.3Å; Q165-E323 HydrophobicContact CB-CG 3.83Å; K199-E323 IonicContact NZ-OE1 3.53Å; K199-E323 PolarHBondContact NZ-OE1 2.72Å; K199-E323 IonicContact NZ-OE2 3.95Å; K199-E323 PolarHBondContact NZ-OE2 3.04Å; V268-E323 WeakPolarHBondContact CG1-OE2 3.33Å; V319-E323 WeakPolarHBondContact O-CB 3.35Å; V319-E323 PolarHBondContact O-N 3.49Å; R320-E323 IonicContact NH1-OE2 3.2Å; F321-E323 PolarHBondContact O-N 3.37Å; E323-H325 VanDerWaalsContact C-N 3.3Å; E323-H325 PolarHBondContact O-N 2.74Å; E323-W326 WeakPolarHBondContact O-CB 3.39Å; E323-W326 PolarHBondContact O-N 3.34Å; E323-F327 WeakPolarHBondContact O-CB 3.24Å; E323-F327 PolarHBondContact O-N 2.89Å
324S96.4Very high96.4Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-62.4-37.4178.2-159.60000112.2P264 V268 R320 F321 L322 V328P264-S324 WeakPolarHBondContact O-CB 3.46Å; P264-S324 PolarHBondContact O-OG 2.89Å; V268-S324 WeakPolarHBondContact CB-OG 3.3Å; V268-S324 WeakPolarHBondContact CG2-OG 3.23Å; V268-S324 PolarHBondContact N-OG 2.9Å; R320-S324 WeakPolarHBondContact O-CB 3.49Å; R320-S324 PolarHBondContact O-N 3.48Å; F321-S324 PolarHBondContact O-N 3.17Å; L322-S324 PolarHBondContact O-N 3.07Å; S324-V328 WeakPolarHBondContact O-CB 3.34Å; S324-V328 VanDerWaalsContact O-CG2 3.29Å; S324-V328 WeakPolarHBondContact O-CG2 3.15Å; S324-V328 PolarHBondContact O-N 2.95Å
325H95.8Very high96.3Very high22 Ų2225.7 Ų25.710%0.10212%0.12CC..Hα-helixtrans-61-52.8171.8-72.171.8000110.9F260 P264 P265 F321 L322 E323 F327 V328 W329F260-H325 AromaticContact CE2-CD2 3.87Å; P264-H325 HydrophobicContact CB-CB 4.36Å; P265-H325 VanDerWaalsContact CG-CE1 3.49Å; P265-H325 WeakPolarHBondContact CG-CE1 3.45Å; F321-H325 AromaticContact CD2-CE1 3.6Å; F321-H325 AromaticContact CE1-CE1 3.65Å; F321-H325 AromaticContact CE1-ND1 3.93Å; F321-H325 AromaticContact CE2-CE1 3.23Å; F321-H325 WeakPolarHBondContact CE2-CE1 3.37Å; F321-H325 AromaticContact CE2-NE2 3.96Å; F321-H325 AromaticContact CG-CE1 3.99Å; F321-H325 AromaticContact CZ-CE1 3.22Å; F321-H325 WeakPolarHBondContact CZ-CE1 3.28Å; F321-H325 AromaticContact CZ-ND1 3.97Å; F321-H325 AromaticContact CZ-NE2 3.73Å; F321-H325 PolarHBondContact O-N 3.05Å; F321-H325 PolarHBondContact O-ND1 2.74Å; L322-H325 PolarHBondContact O-N 3.31Å; E323-H325 VanDerWaalsContact C-N 3.3Å; E323-H325 PolarHBondContact O-N 2.74Å; H325-F327 VanDerWaalsContact C-N 3.32Å; H325-F327 PolarHBondContact O-N 3.39Å; H325-V328 PolarHBondContact O-N 3.08Å; H325-W329 PolarHBondContact O-N 3.3Å
326W97.3Very high96.2Very high38 Ų3825.7 Ų25.714%0.14412%0.12CC..Hα-helixtrans-54.7-50.8179.4-164.3-29000111.1T163 A166 L322 E323 V328 W329 V330 W367 F368T163-W326 HydrophobicContact CG2-CH2 4.06Å; T163-W326 HydrophobicContact CG2-CZ3 4.25Å; A166-W326 HydrophobicContact CB-CD2 3.82Å; A166-W326 HydrophobicContact CB-CE3 3.97Å; A166-W326 HydrophobicContact CB-CG 4.12Å; A166-W326 HydrophobicContact CB-CZ3 4.45Å; L322-W326 PolarHBondContact O-N 3.38Å; L322-W326 VanDerWaalsContact O-N 3.16Å; E323-W326 WeakPolarHBondContact O-CB 3.39Å; E323-W326 PolarHBondContact O-N 3.34Å; W326-V328 PolarHBondContact O-N 3.17Å; W326-W329 PolarHBondContact O-N 3.49Å; W326-V330 WeakPolarHBondContact O-CB 3.39Å; W326-V330 WeakPolarHBondContact O-CG2 3.07Å; W326-V330 PolarHBondContact O-N 3.31Å; W326-W367 AromaticContact CH2-CH2 3.79Å; W326-W367 HydrophobicContact CH2-CH2 3.79Å; W326-W367 HydrophobicContact CH2-CZ3 4.07Å; W326-W367 HydrophobicContact CZ2-CH2 4.28Å; W326-W367 HydrophobicContact CZ2-CZ3 4.16Å; W326-F368 AromaticContact CD1-CE2 3.94Å; W326-F368 AromaticContact CD1-CZ 3.69Å; W326-F368 AromaticContact CD2-CE2 3.96Å; W326-F368 HydrophobicContact CD2-CE2 3.96Å; W326-F368 HydrophobicContact CD2-CZ 4.39Å; W326-F368 AromaticContact CE2-CD2 3.47Å; W326-F368 VanDerWaalsContact CE2-CD2 3.47Å; W326-F368 AromaticContact CE2-CE2 3.32Å; W326-F368 AromaticContact CE2-CZ 3.91Å; W326-F368 HydrophobicContact CG-CE2 4.32Å; W326-F368 HydrophobicContact CG-CZ 4.27Å; W326-F368 HydrophobicContact CH2-CD2 4.22Å; W326-F368 HydrophobicContact CH2-CE2 4.35Å; W326-F368 AromaticContact CZ2-CD2 3.3Å; W326-F368 HydrophobicContact CZ2-CD2 3.3Å; W326-F368 AromaticContact CZ2-CE2 3.56Å; W326-F368 HydrophobicContact CZ2-CE2 3.56Å; W326-F368 HydrophobicContact CZ2-CG 4.12Å; W326-F368 AromaticContact NE1-CD1 3.92Å; W326-F368 AromaticContact NE1-CD2 3.5Å; W326-F368 AromaticContact NE1-CE1 3.76Å; W326-F368 AromaticContact NE1-CE2 3.32Å; W326-F368 VanDerWaalsContact NE1-CE2 3.32Å; W326-F368 AromaticContact NE1-CG 3.79Å; W326-F368 AromaticContact NE1-CZ 3.45Å; W326-F368 PolarHBondContact NE1-O 3.27Å
327F95.8Very high96.1Very high42 Ų4226.3 Ų26.318%0.18413%0.125CC..Hα-helixtrans-58.6-49.8-179.9174.6-97.5000112.6W170 L267 V268 F272 E323 H325 V330 T331W170-F327 HydrophobicContact CH2-CD2 4.14Å; W170-F327 HydrophobicContact CZ3-CD2 4.15Å; L267-F327 HydrophobicContact CD2-CD1 4.24Å; L267-F327 HydrophobicContact CD2-CE1 4.11Å; V268-F327 HydrophobicContact CG2-CD1 4.34Å; F272-F327 HydrophobicContact CE2-CD1 4.37Å; F272-F327 AromaticContact CE2-CE1 3.7Å; F272-F327 HydrophobicContact CE2-CE1 3.7Å; F272-F327 HydrophobicContact CE2-CZ 4.2Å; F272-F327 HydrophobicContact CZ-CE1 4.12Å; E323-F327 WeakPolarHBondContact O-CB 3.24Å; E323-F327 PolarHBondContact O-N 2.89Å; H325-F327 VanDerWaalsContact C-N 3.32Å; H325-F327 PolarHBondContact O-N 3.39Å; F327-V330 PolarHBondContact O-N 3Å; F327-T331 HydrophobicContact CD2-CG2 3.96Å; F327-T331 HydrophobicContact CE1-CG2 4.29Å; F327-T331 HydrophobicContact CE2-CG2 3.56Å; F327-T331 HydrophobicContact CG-CG2 4.49Å; F327-T331 HydrophobicContact CZ-CG2 3.75Å; F327-T331 WeakPolarHBondContact O-CB 3.37Å; F327-T331 WeakPolarHBondContact O-CG2 3.38Å; F327-T331 PolarHBondContact O-N 3.26Å; F327-T331 PolarHBondContact O-OG1 3.44Å
328V95.3Very high96.1Very high4 Ų422.7 Ų22.72%0.02411%0.106CC..Hα-helixtrans-65.1-46.9-177.7171.90000110.8F259 P264 L267 S324 H325 W326 V330 T331 Q332F259-V328 HydrophobicContact CE2-CG1 4.3Å; F259-V328 HydrophobicContact CZ-CG1 3.71Å; P264-V328 HydrophobicContact CB-CB 4.03Å; P264-V328 HydrophobicContact CB-CG1 4.36Å; P264-V328 HydrophobicContact CB-CG2 4.13Å; P264-V328 HydrophobicContact CG-CB 4.09Å; P264-V328 HydrophobicContact CG-CG1 3.9Å; L267-V328 HydrophobicContact CB-CG2 4.25Å; L267-V328 HydrophobicContact CD2-CG2 3.31Å; L267-V328 HydrophobicContact CG-CG2 4.42Å; S324-V328 WeakPolarHBondContact O-CB 3.34Å; S324-V328 VanDerWaalsContact O-CG2 3.29Å; S324-V328 WeakPolarHBondContact O-CG2 3.15Å; S324-V328 PolarHBondContact O-N 2.95Å; H325-V328 PolarHBondContact O-N 3.08Å; W326-V328 PolarHBondContact O-N 3.17Å; V328-V330 VanDerWaalsContact C-N 3.31Å; V328-V330 PolarHBondContact O-N 3.27Å; V328-T331 PolarHBondContact O-N 3.13Å; V328-T331 PolarHBondContact O-OG1 3.32Å; V328-Q332 HydrophobicContact CG1-CG 3.77Å; V328-Q332 VanDerWaalsContact O-CB 3.25Å; V328-Q332 WeakPolarHBondContact O-CB 3.37Å; V328-Q332 WeakPolarHBondContact O-CG 3.26Å; V328-Q332 PolarHBondContact O-N 2.83Å
329W95.5Very high96Very high43 Ų4321.9 Ų21.916%0.16311%0.105CC..Hα-helixtrans-63-40.2-178.7-73.4111.6000112.2F259 F260 H325 W326 M333 M416 V419 V420F259-W329 HydrophobicContact CD1-CH2 4.34Å; F259-W329 HydrophobicContact CD1-CZ2 4.4Å; F259-W329 AromaticContact CE1-CH2 3.9Å; F259-W329 HydrophobicContact CE1-CH2 3.9Å; F259-W329 AromaticContact CE1-CZ2 3.94Å; F259-W329 HydrophobicContact CE1-CZ2 3.94Å; F259-W329 HydrophobicContact CE1-CZ3 4.29Å; F260-W329 HydrophobicContact CD2-CZ2 4.23Å; H325-W329 PolarHBondContact O-N 3.3Å; W326-W329 PolarHBondContact O-N 3.49Å; W329-M333 WeakPolarHBondContact O-CB 3.3Å; W329-M333 WeakPolarHBondContact O-CG 3.28Å; W329-M333 PolarHBondContact O-N 2.86Å; W329-M416 HydrophobicContact CB-CE 4.31Å; W329-M416 HydrophobicContact CE3-CB 3.97Å; W329-M416 HydrophobicContact CE3-CG 4.02Å; W329-M416 HydrophobicContact CZ3-CB 4.09Å; W329-M416 WeakPolarHBondContact CZ3-O 3.42Å; W329-V419 HydrophobicContact CZ3-CB 4.09Å; W329-V419 HydrophobicContact CZ3-CG1 4.22Å; W329-V420 HydrophobicContact CH2-CG2 3.69Å; W329-V420 HydrophobicContact CZ3-CG2 4.12Å
330V96.8Very high95.9Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-67.8-44.6177167.40000112.3W170 W326 F327 V328 M333 N334 F368 L372W170-V330 HydrophobicContact CH2-CB 3.79Å; W170-V330 HydrophobicContact CH2-CG1 3.5Å; W170-V330 HydrophobicContact CH2-CG2 4.41Å; W170-V330 HydrophobicContact CZ2-CB 4.01Å; W170-V330 HydrophobicContact CZ2-CG1 3.8Å; W170-V330 HydrophobicContact CZ2-CG2 4.13Å; W170-V330 HydrophobicContact CZ3-CG1 4.16Å; W326-V330 WeakPolarHBondContact O-CB 3.39Å; W326-V330 WeakPolarHBondContact O-CG2 3.07Å; W326-V330 PolarHBondContact O-N 3.31Å; F327-V330 PolarHBondContact O-N 3Å; V328-V330 VanDerWaalsContact C-N 3.31Å; V328-V330 PolarHBondContact O-N 3.27Å; V330-M333 HydrophobicContact CB-CE 4.43Å; V330-M333 HydrophobicContact CG1-CE 4.24Å; V330-M333 WeakPolarHBondContact O-CE 3.34Å; V330-M333 WeakPolarHBondContact O-CG 3.35Å; V330-N334 PolarHBondContact O-OD1 3.13Å; V330-F368 HydrophobicContact CG2-CD1 3.87Å; V330-F368 HydrophobicContact CG2-CE1 3.54Å; V330-F368 HydrophobicContact CG2-CZ 4.39Å; V330-L372 HydrophobicContact CG1-CB 4.26Å; V330-L372 HydrophobicContact CG1-CD1 4.08Å
331T93.3Very high95.9Very high23 Ų2322.8 Ų22.814%0.14111%0.11CC..Hα-helixtrans-76.5-33.8-175.453.70000112.6W170 F327 V328W170-T331 HydrophobicContact CZ3-CG2 4.45Å; F327-T331 HydrophobicContact CD2-CG2 3.96Å; F327-T331 HydrophobicContact CE1-CG2 4.29Å; F327-T331 HydrophobicContact CE2-CG2 3.56Å; F327-T331 HydrophobicContact CG-CG2 4.49Å; F327-T331 HydrophobicContact CZ-CG2 3.75Å; F327-T331 WeakPolarHBondContact O-CB 3.37Å; F327-T331 WeakPolarHBondContact O-CG2 3.38Å; F327-T331 PolarHBondContact O-N 3.26Å; F327-T331 PolarHBondContact O-OG1 3.44Å; V328-T331 PolarHBondContact O-N 3.13Å; V328-T331 PolarHBondContact O-OG1 3.32Å
332Q94.9Very high95.8Very high23 Ų2323.1 Ų23.111%0.10711%0.113CC..Hα-helixtrans-83.5-27.3-174.4-58.6-47.9-60.800113.6V328 N334 H335 L336 P337 V419V328-Q332 HydrophobicContact CG1-CG 3.77Å; V328-Q332 VanDerWaalsContact O-CB 3.25Å; V328-Q332 WeakPolarHBondContact O-CB 3.37Å; V328-Q332 WeakPolarHBondContact O-CG 3.26Å; V328-Q332 PolarHBondContact O-N 2.83Å; Q332-N334 PolarHBondContact O-N 3.28Å; Q332-N334 VanDerWaalsContact O-N 3.14Å; Q332-H335 PolarHBondContact O-N 3.18Å; Q332-L336 HydrophobicContact CB-CB 4.25Å; Q332-L336 WeakPolarHBondContact O-CB 3.28Å; Q332-L336 PolarHBondContact O-N 3.44Å; Q332-P337 VanDerWaalsContact O-CD 3.24Å; Q332-P337 WeakPolarHBondContact O-CD 3.05Å; Q332-V419 HydrophobicContact CB-CG2 4.18Å
333M96.1Very high95.6Very high0 Ų023 Ų230%011%0.111CC..THydrogen-bonded Turntrans-61.7-23.9-176.968.5-172.3177.300114W329 V330 I359 L412 V419W329-M333 WeakPolarHBondContact O-CB 3.3Å; W329-M333 WeakPolarHBondContact O-CG 3.28Å; W329-M333 PolarHBondContact O-N 2.86Å; V330-M333 HydrophobicContact CB-CE 4.43Å; V330-M333 HydrophobicContact CG1-CE 4.24Å; V330-M333 WeakPolarHBondContact O-CE 3.34Å; V330-M333 WeakPolarHBondContact O-CG 3.35Å; M333-I359 HydrophobicContact CE-CB 4.48Å; M333-I359 HydrophobicContact CE-CG1 3.65Å; M333-I359 HydrophobicContact CG-CD1 4.24Å; M333-I359 HydrophobicContact CG-CG1 4.1Å; M333-I359 HydrophobicContact SD-CD1 4.17Å; M333-I359 HydrophobicContact SD-CG1 3.76Å; M333-L412 HydrophobicContact CE-CD1 4.08Å; M333-L412 HydrophobicContact SD-CD1 3.61Å; M333-V419 HydrophobicContact CB-CG2 4.36Å
334N96.8Very high95.4Very high1 Ų127.9 Ų27.91%0.00513%0.132CC..THydrogen-bonded Turntrans-91.9-19.1-178.8-59.790.3000113.8V330 Q332 M338 T356 C357 L372 Q375V330-N334 PolarHBondContact O-OD1 3.13Å; Q332-N334 PolarHBondContact O-N 3.28Å; Q332-N334 VanDerWaalsContact O-N 3.14Å; N334-M338 WeakPolarHBondContact O-CG 3.48Å; N334-T356 CarbonylContact O-C 3.53Å; N334-T356 WeakPolarHBondContact O-CA 3.16Å; N334-C357 WeakPolarHBondContact CB-O 3.31Å; N334-C357 PolarHBondContact ND2-O 3.45Å; N334-C357 PolarHBondContact O-N 3.44Å; N334-C357 PolarHBondContact O-SG 3.28Å; N334-L372 PolarHBondContact ND2-O 3.19Å; N334-Q375 HydrophobicContact CB-CB 3.66Å; N334-Q375 HydrophobicContact CB-CG 3.64Å
335H96.6Very high95.1Very high9 Ų931.7 Ų31.74%0.04215%0.152CC..THydrogen-bonded Turntrans-120.8-49-169.4-73.7-71.9000114.3H213 N218 Q332 P337 M338 A355 T356 Q375 H379H213-H335 AromaticContact CE1-CE1 3.42Å; H213-H335 PolarHBondContact CE1-CE1 3.36Å; H213-H335 VanDerWaalsContact CE1-CE1 3.42Å; H213-H335 AromaticContact CE1-ND1 3.71Å; H213-H335 AromaticContact CE1-NE2 3.68Å; H213-H335 AromaticContact NE2-CD2 3.98Å; H213-H335 AromaticContact NE2-CE1 3.28Å; H213-H335 PolarHBondContact NE2-CE1 3.03Å; H213-H335 VanDerWaalsContact NE2-CE1 3.28Å; H213-H335 AromaticContact NE2-NE2 3.29Å; H213-H335 PolarHBondContact NE2-NE2 2.8Å; N218-H335 PolarHBondContact ND2-O 2.51Å; Q332-H335 PolarHBondContact O-N 3.18Å; H335-P337 VanDerWaalsContact C-N 3.33Å; H335-M338 WeakPolarHBondContact O-CA 3.47Å; H335-M338 VanDerWaalsContact O-CB 3.25Å; H335-M338 WeakPolarHBondContact O-CB 3.29Å; H335-M338 PolarHBondContact O-N 3.36Å; H335-A355 PolarHBondContact ND1-O 2.97Å; H335-T356 WeakPolarHBondContact CE1-CG2 3.48Å; H335-Q375 PolarHBondContact NE2-NE2 2.89Å; H335-H379 AromaticContact CE1-CE1 3.49Å; H335-H379 PolarHBondContact CE1-CE1 3.21Å; H335-H379 VanDerWaalsContact CE1-CE1 3.49Å; H335-H379 AromaticContact CE1-NE2 3.24Å; H335-H379 PolarHBondContact CE1-NE2 3.47Å; H335-H379 AromaticContact NE2-NE2 3.37Å; H335-H379 PolarHBondContact NE2-NE2 3.42Å
336L95Very high94.9Very high8 Ų835.4 Ų35.44%0.04217%0.166CC..THydrogen-bonded Turntrans-63.7-34.2-173.2-167.3148000112.5L234 Q332 M338 V419 L423L234-L336 HydrophobicContact CD1-CD1 4.47Å; L234-L336 HydrophobicContact CD2-CD1 3.92Å; L234-L336 HydrophobicContact CD2-CG 4.28Å; Q332-L336 HydrophobicContact CB-CB 4.25Å; Q332-L336 WeakPolarHBondContact O-CB 3.28Å; Q332-L336 PolarHBondContact O-N 3.44Å; L336-M338 PolarHBondContact O-N 3.49Å; L336-V419 HydrophobicContact CD2-CG1 4.2Å; L336-L423 HydrophobicContact CD1-CD2 4.43Å; L336-L423 HydrophobicContact CD2-CD2 4.35Å; L336-L423 HydrophobicContact CD2-CG 4.07Å
337P95.7Very high94.8Very high25 Ų2534 Ų3416%0.16216%0.161CC..THydrogen-bonded Turntrans-71.3-12.5170.5-24.137.3000115.9Q332 H335 D418 V419 S422Q332-P337 VanDerWaalsContact O-CD 3.24Å; Q332-P337 WeakPolarHBondContact O-CD 3.05Å; H335-P337 VanDerWaalsContact C-N 3.33Å; P337-D418 HydrophobicContact CB-CB 3.9Å; P337-D418 HydrophobicContact CG-CB 3.76Å; P337-V419 HydrophobicContact CG-CG2 4.28Å; P337-S422 WeakPolarHBondContact CA-OG 3.38Å
338M96.3Very high94.8Very high20 Ų2032.4 Ų32.410%0.09915%0.154CC..SBendtrans-86.7174.8-175.8-54-52.3-61.500111.2N334 H335 L336 I340 T356 C357 E408 K410N334-M338 WeakPolarHBondContact O-CG 3.48Å; H335-M338 WeakPolarHBondContact O-CA 3.47Å; H335-M338 VanDerWaalsContact O-CB 3.25Å; H335-M338 WeakPolarHBondContact O-CB 3.29Å; H335-M338 PolarHBondContact O-N 3.36Å; L336-M338 PolarHBondContact O-N 3.49Å; M338-I340 PolarHBondContact O-N 2.99Å; M338-T356 WeakPolarHBondContact CE-O 3.3Å; M338-C357 HydrophobicContact CE-CB 4.12Å; M338-C357 HydrophobicContact CG-CB 4.45Å; M338-C357 HydrophobicContact SD-CB 3.52Å; M338-C357 VanDerWaalsContact SD-CB 3.52Å; M338-E408 HydrophobicContact CE-CG 4.48Å; M338-E408 WeakPolarHBondContact CE-OE2 3.32Å; M338-K410 PolarHBondContact SD-NZ 3.06Å
339N94.6Very high94.9Very high69 Ų6932.2 Ų32.237%0.36915%0.152SC..  trans-64.6127.1-178.6-175.935.9000110.6N218N218-N339 WeakPolarHBondContact CB-O 3.4Å; N218-N339 PolarHBondContact ND2-O 3.38Å
340I96.6Very high94.9Very high1 Ų130.8 Ų30.81%0.00515%0.148CC..  trans-122.8119.2174.5-60.2168.1000107.5N218 L220 V226 L234 M338N218-I340 HydrophobicContact CB-CG1 3.98Å; N218-I340 WeakPolarHBondContact O-CA 3.22Å; L220-I340 HydrophobicContact CD2-CG2 3.65Å; L220-I340 HydrophobicContact CG-CG2 4.11Å; V226-I340 HydrophobicContact CB-CG2 4.19Å; V226-I340 HydrophobicContact CG1-CD1 3.9Å; V226-I340 HydrophobicContact CG1-CG1 4.12Å; V226-I340 HydrophobicContact CG1-CG2 4.18Å; V226-I340 HydrophobicContact CG2-CG2 4.32Å; L234-I340 HydrophobicContact CB-CD1 3.86Å; L234-I340 HydrophobicContact CD1-CD1 4.46Å; M338-I340 PolarHBondContact O-N 2.99Å
341D95.2Very high94.9Very high28 Ų2831.5 Ų31.515%0.1515%0.152CC..BIsolated β-bridgetrans-153.3173.3-169.4-150-34.6000111.2N218 V219 L220 V237 K344N218-D341 PolarHBondContact O-N 2.85Å; V219-D341 WeakPolarHBondContact CA-O 3.42Å; L220-D341 PolarHBondContact N-O 3.04Å; V237-D341 WeakPolarHBondContact CG2-OD1 3.48Å; D341-K344 VanDerWaalsContact CG-CE 3.48Å; D341-K344 WeakPolarHBondContact OD2-CE 3.35Å; D341-K344 IonicContact OD2-NZ 3.66Å; D341-K344 PolarHBondContact OD2-NZ 3.46Å
342H95.4Very high95.1Very high81 Ų8130.4 Ų30.438%0.37515%0.145SC..SBendtrans-67.8161.8163.3-64.8-63.9000110.8E241 K344E241-H342 IonicContact OE1-CD2 2.65Å; E241-H342 IonicContact OE1-CE1 2.74Å; E241-H342 IonicContact OE1-NE2 3.61Å; E241-H342 PolarHBondContact OE1-NE2 3.39Å; E241-H342 IonicContact OE2-NE2 3.98Å; H342-K344 PolarHBondContact O-N 3.42Å
343E92.6Very high95.2Very high45 Ų4529.5 Ų29.521%0.2114%0.141CC..  trans-57.2127.4178.9179.665.5-99.300111.3K216 V219 K222 N345K216-E343 WeakPolarHBondContact CD-OE2 3.4Å; K216-E343 WeakPolarHBondContact CE-OE2 3.18Å; K216-E343 IonicContact NZ-OE1 3.45Å; K216-E343 IonicContact NZ-OE2 3.27Å; K216-E343 PolarHBondContact NZ-OE2 3.35Å; V219-E343 HydrophobicContact CG1-CB 3.87Å; K222-E343 IonicContact NZ-OE2 2.62Å; K222-E343 PolarHBondContact NZ-OE2 3.46Å; E343-N345 WeakPolarHBondContact CG-OD1 3.39Å; E343-N345 PolarHBondContact OE1-N 2.95Å; E343-N345 VanDerWaalsContact OE1-N 3.1Å
344K91.8Very high95.2Very high104 Ų10432.5 Ų32.545%0.45216%0.155SC..  trans-106.85.7178.5-67.7-174.2-179.3171.40113.3D341 H342 R346D341-K344 VanDerWaalsContact CG-CE 3.48Å; D341-K344 WeakPolarHBondContact OD2-CE 3.35Å; D341-K344 IonicContact OD2-NZ 3.66Å; D341-K344 PolarHBondContact OD2-NZ 3.46Å; H342-K344 PolarHBondContact O-N 3.42Å; K344-R346 HydrophobicContact CB-CG 4.13Å; K344-R346 PolarHBondContact O-N 2.82Å
345N89.7Confident95.2Very high79 Ų7932.6 Ų32.642%0.42216%0.156SC..  trans51.840.2-178.7-61.9-30.6000112.8E343E343-N345 WeakPolarHBondContact CG-OD1 3.39Å; E343-N345 PolarHBondContact OE1-N 2.95Å; E343-N345 VanDerWaalsContact OE1-N 3.1Å
346R92.2Very high95.2Very high101 Ų10132.2 Ų32.238%0.38115%0.154SC..  trans-76.9163.1174.3-66.9-174.8177.5-134.8-5.5110.4K344 Q354K344-R346 HydrophobicContact CB-CG 4.13Å; K344-R346 PolarHBondContact O-N 2.82Å; R346-Q354 VanDerWaalsContact CD-OE1 3.26Å; R346-Q354 VanDerWaalsContact NH1-CD 3.27Å
347D94.9Very high95.3Very high7 Ų731.8 Ų31.84%0.03715%0.152CC..  trans-61152.6169.667.191.4000110.5K98 I103 V349 T350 M351K98-D347 HydrophobicContact CB-CB 4.11Å; K98-D347 HydrophobicContact CG-CB 4.18Å; I103-D347 HydrophobicContact CD1-CB 3.82Å; I103-D347 HydrophobicContact CG1-CB 4Å; D347-V349 VanDerWaalsContact C-N 3.28Å; D347-V349 PolarHBondContact O-N 3.06Å; D347-V349 PolarHBondContact OD1-N 2.83Å; D347-T350 VanDerWaalsContact CG-OG1 3.22Å; D347-T350 PolarHBondContact O-N 2.97Å; D347-T350 WeakPolarHBondContact OD1-CB 3.45Å; D347-T350 PolarHBondContact OD1-N 3.38Å; D347-T350 PolarHBondContact OD1-OG1 3.46Å; D347-T350 VanDerWaalsContact OD2-CB 3.23Å; D347-T350 WeakPolarHBondContact OD2-CB 3.41Å; D347-T350 PolarHBondContact OD2-OG1 3.06Å; D347-M351 WeakPolarHBondContact O-CB 3.39Å; D347-M351 PolarHBondContact O-N 3.11Å
348W96.2Very high95.5Very high10 Ų1030.8 Ų30.84%0.03815%0.145CC..Hα-helixtrans-59.6-40.3-173.1-177.587.5000111.8Y56 E63 A67 F106 M351 Q352 H379 L380Y56-W348 VanDerWaalsContact OH-CD1 3.3Å; Y56-W348 PolarHBondContact OH-NE1 3.46Å; E63-W348 HydrophobicContact CB-CB 3.91Å; E63-W348 HydrophobicContact CB-CD2 4.05Å; E63-W348 HydrophobicContact CB-CE3 3.99Å; E63-W348 HydrophobicContact CB-CG 4.05Å; E63-W348 HydrophobicContact CG-CB 4.46Å; A67-W348 HydrophobicContact CB-CH2 3.88Å; A67-W348 HydrophobicContact CB-CZ2 3.83Å; F106-W348 HydrophobicContact CE1-CE3 4.17Å; F106-W348 AromaticContact CE1-CZ3 3.66Å; F106-W348 HydrophobicContact CE1-CZ3 3.66Å; F106-W348 AromaticContact CZ-CZ3 3.9Å; F106-W348 HydrophobicContact CZ-CZ3 3.9Å; W348-M351 HydrophobicContact CG-CE 4.41Å; W348-M351 PolarHBondContact O-N 3.06Å; W348-Q352 HydrophobicContact CD2-CG 3.91Å; W348-Q352 HydrophobicContact CE3-CG 4.09Å; W348-Q352 HydrophobicContact CH2-CG 3.93Å; W348-Q352 HydrophobicContact CZ2-CG 3.75Å; W348-Q352 HydrophobicContact CZ3-CG 4.09Å; W348-Q352 VanDerWaalsContact O-CG 3.29Å; W348-Q352 WeakPolarHBondContact O-CG 3.36Å; W348-Q352 PolarHBondContact O-N 3.28Å; W348-H379 VanDerWaalsContact CH2-O 3.3Å; W348-H379 WeakPolarHBondContact CH2-O 3.17Å; W348-L380 HydrophobicContact CZ3-CD2 4.06Å
349V96.6Very high95.6Very high0 Ų030 Ų300%014%0.141CC..Hα-helixtrans-64.8-51.8-176.6-174.80000110.7I102 F106 D347 M351 Q352 L353 L380I102-V349 HydrophobicContact CD1-CB 4.38Å; I102-V349 HydrophobicContact CD1-CG1 3.92Å; I102-V349 HydrophobicContact CG1-CB 4.42Å; I102-V349 HydrophobicContact CG1-CG1 4.08Å; F106-V349 HydrophobicContact CB-CG1 4.31Å; F106-V349 HydrophobicContact CB-CG2 3.86Å; F106-V349 HydrophobicContact CD1-CG2 3.3Å; F106-V349 HydrophobicContact CD2-CG1 4.26Å; F106-V349 HydrophobicContact CD2-CG2 4.46Å; F106-V349 HydrophobicContact CE1-CG2 3.88Å; F106-V349 HydrophobicContact CG-CG1 4.11Å; F106-V349 HydrophobicContact CG-CG2 3.63Å; D347-V349 VanDerWaalsContact C-N 3.28Å; D347-V349 PolarHBondContact O-N 3.06Å; D347-V349 PolarHBondContact OD1-N 2.83Å; V349-M351 VanDerWaalsContact C-N 3.3Å; V349-M351 PolarHBondContact O-N 3.23Å; V349-Q352 PolarHBondContact O-N 3.34Å; V349-L353 HydrophobicContact CG1-CD1 3.98Å; V349-L353 WeakPolarHBondContact O-CG 3.26Å; V349-L353 PolarHBondContact O-N 3.02Å; V349-L380 HydrophobicContact CG1-CD2 3.94Å
350T96.2Very high95.7Very high13 Ų1331.2 Ų31.28%0.0815%0.145CC..Hα-helixtrans-60-41.4177.4-59.50000111.2D347 L353 Q354 I405D347-T350 VanDerWaalsContact CG-OG1 3.22Å; D347-T350 PolarHBondContact O-N 2.97Å; D347-T350 WeakPolarHBondContact OD1-CB 3.45Å; D347-T350 PolarHBondContact OD1-N 3.38Å; D347-T350 PolarHBondContact OD1-OG1 3.46Å; D347-T350 VanDerWaalsContact OD2-CB 3.23Å; D347-T350 WeakPolarHBondContact OD2-CB 3.41Å; D347-T350 PolarHBondContact OD2-OG1 3.06Å; T350-L353 PolarHBondContact O-N 3.02Å; T350-Q354 HydrophobicContact CG2-CG 4.24Å; T350-Q354 WeakPolarHBondContact O-CB 3.38Å; T350-Q354 VanDerWaalsContact O-CG 3.26Å; T350-Q354 WeakPolarHBondContact O-CG 3.45Å; T350-Q354 PolarHBondContact O-N 3.1Å; T350-I405 HydrophobicContact CG2-CD1 4.25Å
351M96.2Very high95.8Very high14 Ų1436.7 Ų36.77%0.06917%0.169CC..Hα-helixtrans-61-47.1177.4178.7-164.163.900111.9A215 K216 V219 D347 W348 V349 L353 Q354 A355A215-M351 WeakPolarHBondContact O-CE 3.4Å; K216-M351 HydrophobicContact CB-SD 4.46Å; K216-M351 HydrophobicContact CD-CE 4Å; K216-M351 HydrophobicContact CD-SD 3.43Å; K216-M351 WeakPolarHBondContact CD-SD 3.17Å; V219-M351 HydrophobicContact CG2-SD 4.48Å; D347-M351 WeakPolarHBondContact O-CB 3.39Å; D347-M351 PolarHBondContact O-N 3.11Å; W348-M351 HydrophobicContact CG-CE 4.41Å; W348-M351 PolarHBondContact O-N 3.06Å; V349-M351 VanDerWaalsContact C-N 3.3Å; V349-M351 PolarHBondContact O-N 3.23Å; M351-L353 VanDerWaalsContact C-N 3.34Å; M351-L353 PolarHBondContact O-N 3.4Å; M351-Q354 PolarHBondContact O-N 3.03Å; M351-A355 WeakPolarHBondContact O-CB 3.33Å; M351-A355 PolarHBondContact O-N 3.1Å
352Q97.4Very high95.9Very high0 Ų037.3 Ų37.30%018%0.175CC..Hα-helixtrans-60.8-44177.4-64.7-59.1-34.200111.5H214 W348 V349 Q354 A355 T356 H379 L380H214-Q352 PolarHBondContact O-NE2 3.45Å; W348-Q352 HydrophobicContact CD2-CG 3.91Å; W348-Q352 HydrophobicContact CE3-CG 4.09Å; W348-Q352 HydrophobicContact CH2-CG 3.93Å; W348-Q352 HydrophobicContact CZ2-CG 3.75Å; W348-Q352 HydrophobicContact CZ3-CG 4.09Å; W348-Q352 VanDerWaalsContact O-CG 3.29Å; W348-Q352 WeakPolarHBondContact O-CG 3.36Å; W348-Q352 PolarHBondContact O-N 3.28Å; V349-Q352 PolarHBondContact O-N 3.34Å; Q352-Q354 PolarHBondContact O-N 3.18Å; Q352-A355 PolarHBondContact O-N 3.47Å; Q352-T356 PolarHBondContact O-N 2.95Å; Q352-T356 PolarHBondContact O-OG1 3.3Å; Q352-H379 HydrophobicContact CB-CB 4.21Å; Q352-H379 PolarHBondContact OE1-ND1 3.43Å; Q352-L380 HydrophobicContact CB-CD2 3.93Å; Q352-L380 HydrophobicContact CG-CD2 4.46Å
353L96.9Very high96Very high4 Ų442.7 Ų42.72%0.02120%0.198CC..Hα-helixtrans-63.5-39.4179.6-74.5168.5000112.7I102 V349 T350 M351 A355 I376 L380 V396 C400 I405I102-L353 HydrophobicContact CD1-CD1 4.49Å; V349-L353 HydrophobicContact CG1-CD1 3.98Å; V349-L353 WeakPolarHBondContact O-CG 3.26Å; V349-L353 PolarHBondContact O-N 3.02Å; T350-L353 PolarHBondContact O-N 3.02Å; M351-L353 VanDerWaalsContact C-N 3.34Å; M351-L353 PolarHBondContact O-N 3.4Å; L353-A355 VanDerWaalsContact C-N 3.34Å; L353-I376 HydrophobicContact CD2-CG2 3.57Å; L353-L380 HydrophobicContact CD2-CD1 4.06Å; L353-L380 HydrophobicContact CG-CD1 4.47Å; L353-V396 HydrophobicContact CD2-CG1 4.46Å; L353-C400 VanDerWaalsContact CD2-SG 3.56Å; L353-I405 HydrophobicContact CB-CG2 4.07Å; L353-I405 HydrophobicContact CD1-CD1 3.99Å; L353-I405 HydrophobicContact CD1-CG2 3.98Å
354Q95.8Very high96.2Very high63 Ų6345.9 Ų45.929%0.29421%0.211SC..Hα-helixtrans-76-23.6-179-71.5-172.1-43.100114R346 T350 M351 Q352 T356R346-Q354 VanDerWaalsContact CD-OE1 3.26Å; R346-Q354 VanDerWaalsContact NH1-CD 3.27Å; T350-Q354 HydrophobicContact CG2-CG 4.24Å; T350-Q354 WeakPolarHBondContact O-CB 3.38Å; T350-Q354 VanDerWaalsContact O-CG 3.26Å; T350-Q354 WeakPolarHBondContact O-CG 3.45Å; T350-Q354 PolarHBondContact O-N 3.1Å; M351-Q354 PolarHBondContact O-N 3.03Å; Q352-Q354 PolarHBondContact O-N 3.18Å; Q354-T356 VanDerWaalsContact C-N 3.35Å
355A96.6Very high96.5Very high3 Ų341.5 Ų41.53%0.02519%0.193CC..THydrogen-bonded Turntrans-87.1-5.3179.400000113.2P217 N218 H335 M351 Q352 L353P217-A355 HydrophobicContact CB-CB 3.79Å; P217-A355 HydrophobicContact CG-CB 3.65Å; N218-A355 HydrophobicContact CB-CB 3.91Å; H335-A355 PolarHBondContact ND1-O 2.97Å; M351-A355 WeakPolarHBondContact O-CB 3.33Å; M351-A355 PolarHBondContact O-N 3.1Å; Q352-A355 PolarHBondContact O-N 3.47Å; L353-A355 VanDerWaalsContact C-N 3.34Å
356T97.3Very high96.9Very high1 Ų138.3 Ų38.31%0.00618%0.176CC..  trans-133.6149.7-17255.30000112.4N334 H335 M338 Q352 Q354 Q375 H379N334-T356 CarbonylContact O-C 3.53Å; N334-T356 WeakPolarHBondContact O-CA 3.16Å; H335-T356 WeakPolarHBondContact CE1-CG2 3.48Å; M338-T356 WeakPolarHBondContact CE-O 3.3Å; Q352-T356 PolarHBondContact O-N 2.95Å; Q352-T356 PolarHBondContact O-OG1 3.3Å; Q354-T356 VanDerWaalsContact C-N 3.35Å; T356-Q375 HydrophobicContact CG2-CG 3.81Å; T356-H379 HydrophobicContact CG2-CB 4.11Å
357C98Very high97.2Very high0 Ų037.7 Ų37.70%017%0.174CC..  trans-134162.6162.461.30000110.1N334 M338 Q375 E408 K410N334-C357 WeakPolarHBondContact CB-O 3.31Å; N334-C357 PolarHBondContact ND2-O 3.45Å; N334-C357 PolarHBondContact O-N 3.44Å; N334-C357 PolarHBondContact O-SG 3.28Å; M338-C357 HydrophobicContact CE-CB 4.12Å; M338-C357 HydrophobicContact CG-CB 4.45Å; M338-C357 HydrophobicContact SD-CB 3.52Å; M338-C357 VanDerWaalsContact SD-CB 3.52Å; C357-Q375 WeakPolarHBondContact O-CB 3.29Å; C357-E408 HydrophobicContact CB-CB 3.57Å; C357-K410 PolarHBondContact SG-NZ 3.29Å; C357-K410 VanDerWaalsContact SG-NZ 3.4Å
358N98.6Very high97.3Very high3 Ų338.9 Ų38.92%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-95.6159.4175.3-79.9-4000112.4N373 F374 Q375 I376 E377 Y407 E408 T409 K410N358-N373 CarbonylContact C-O 3.55Å; N358-N373 VanDerWaalsContact CA-O 3.28Å; N358-N373 WeakPolarHBondContact CA-O 3.5Å; N358-N373 VanDerWaalsContact CB-O 3.28Å; N358-N373 WeakPolarHBondContact CB-O 3.21Å; N358-N373 PolarHBondContact OD1-O 3.4Å; N358-F374 WeakPolarHBondContact OD1-CA 3.43Å; N358-Q375 PolarHBondContact OD1-N 3.46Å; N358-I376 HydrophobicContact CB-CD1 4.38Å; N358-I376 WeakPolarHBondContact OD1-CB 3.37Å; N358-I376 PolarHBondContact OD1-N 3.47Å; N358-E377 PolarHBondContact ND2-OE1 2.89Å; N358-E377 PolarHBondContact ND2-OE2 2.86Å; N358-Y407 PolarHBondContact ND2-OH 2.89Å; N358-E408 PolarHBondContact N-O 3.03Å; N358-T409 HydrophobicContact CB-CG2 4.36Å; N358-T409 CarbonylContact O-C 3.33Å; N358-T409 WeakPolarHBondContact O-CA 3.27Å; N358-K410 PolarHBondContact O-N 3.38Å
359I98.5Very high97.4Very high3 Ų338.5 Ų38.52%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-107.6146.1164.4-57.5-56.6000108.7M333 K361 N373 K410 L412M333-I359 HydrophobicContact CE-CB 4.48Å; M333-I359 HydrophobicContact CE-CG1 3.65Å; M333-I359 HydrophobicContact CG-CD1 4.24Å; M333-I359 HydrophobicContact CG-CG1 4.1Å; M333-I359 HydrophobicContact SD-CD1 4.17Å; M333-I359 HydrophobicContact SD-CG1 3.76Å; I359-K361 PolarHBondContact O-N 3.45Å; I359-N373 HydrophobicContact CB-CB 3.67Å; I359-N373 HydrophobicContact CG2-CB 4.3Å; I359-N373 PolarHBondContact N-O 3.33Å; I359-N373 VanDerWaalsContact O-O 3.13Å; I359-K410 CarbonylContact C-O 3.57Å; I359-K410 WeakPolarHBondContact CA-O 3.45Å; I359-K410 HydrophobicContact CD1-CB 4.01Å; I359-L412 HydrophobicContact CG2-CB 3.97Å; I359-L412 HydrophobicContact CG2-CD1 4.14Å
360E97.8Very high97.4Very high95 Ų9538.7 Ų38.744%0.44418%0.179SC..  trans-49.7141.2-179.7-73.8174.2166.400113.1S362 N365 T409 K410 T411E360-S362 PolarHBondContact O-N 3.27Å; E360-N365 WeakPolarHBondContact O-CB 3.36Å; E360-N365 PolarHBondContact O-ND2 3.39Å; E360-T409 HydrophobicContact CG-CG2 4.09Å; E360-K410 PolarHBondContact N-O 2.97Å; E360-T411 WeakPolarHBondContact OE1-CG2 3.4Å; E360-T411 WeakPolarHBondContact OE2-CG2 3.22Å
361K97.4Very high97.5Very high116 Ų11638.8 Ų38.850%0.50418%0.179SC..  trans-71.4127.7174.9-178.5-177.2-174.9-77.20110.5I359 F374 Q390I359-K361 PolarHBondContact O-N 3.45Å; K361-F374 HydrophobicContact CB-CZ 3.86Å; K361-F374 HydrophobicContact CD-CZ 3.97Å; K361-F374 HydrophobicContact CG-CE2 4.42Å; K361-F374 HydrophobicContact CG-CZ 3.84Å; K361-Q390 HydrophobicContact CD-CB 4.44Å
362S97.6Very high97.6Very high42 Ų4238.5 Ų38.529%0.29418%0.177SC..  trans-158.5156.8165.468.40000108.9E360 F364 N365 D366E360-S362 PolarHBondContact O-N 3.27Å; S362-F364 PolarHBondContact O-N 2.85Å; S362-F364 VanDerWaalsContact O-N 3.12Å; S362-N365 PolarHBondContact O-N 3.42Å; S362-N365 VanDerWaalsContact O-N 3.1Å; S362-N365 WeakPolarHBondContact OG-CB 3.14Å; S362-N365 PolarHBondContact OG-N 3.25Å; S362-N365 PolarHBondContact OG-ND2 3.38Å; S362-D366 VanDerWaalsContact O-CB 3.32Å; S362-D366 WeakPolarHBondContact O-CB 3.37Å; S362-D366 PolarHBondContact O-N 3.4Å
363F96.8Very high97.6Very high194 Ų19438.5 Ų38.585%0.85118%0.177SC*.Hα-helixtrans-53-37.5176.1-73.9-72.1000112.4W367F363-W367 WeakPolarHBondContact O-CB 3.31Å; F363-W367 PolarHBondContact O-N 2.91Å
364F98Very high97.7Very high111 Ų11138.9 Ų38.949%0.48718%0.179SC..Hα-helixtrans-68.1-52175.9178.4-101.5000111.8S362 D366 W367 F368 L412S362-F364 PolarHBondContact O-N 2.85Å; S362-F364 VanDerWaalsContact O-N 3.12Å; F364-D366 VanDerWaalsContact C-N 3.33Å; F364-D366 PolarHBondContact O-N 3.24Å; F364-W367 HydrophobicContact CD2-CE3 4.38Å; F364-W367 HydrophobicContact CE2-CE3 4.33Å; F364-W367 HydrophobicContact CE2-CZ3 4.17Å; F364-W367 PolarHBondContact O-N 3.49Å; F364-F368 HydrophobicContact CD1-CB 4.38Å; F364-F368 HydrophobicContact CE1-CB 4.03Å; F364-F368 HydrophobicContact CE1-CD2 4.21Å; F364-F368 HydrophobicContact CE1-CG 4.03Å; F364-F368 HydrophobicContact CE2-CB 4.35Å; F364-F368 HydrophobicContact CE2-CD2 4.25Å; F364-F368 HydrophobicContact CZ-CB 4.02Å; F364-F368 AromaticContact CZ-CD2 3.63Å; F364-F368 HydrophobicContact CZ-CD2 3.63Å; F364-F368 HydrophobicContact CZ-CE2 4.32Å; F364-F368 AromaticContact CZ-CG 3.9Å; F364-F368 HydrophobicContact CZ-CG 3.9Å; F364-F368 WeakPolarHBondContact O-CB 3.21Å; F364-F368 PolarHBondContact O-N 3.07Å; F364-L412 HydrophobicContact CD1-CD2 4.43Å; F364-L412 HydrophobicContact CE1-CD2 3.87Å
365N98.3Very high97.8Very high13 Ų1336.4 Ų36.47%0.0717%0.167CC..Hα-helixtrans-63.5-39.7-177.2-67.1-13.1000112.1E360 S362 W367 F368 S369 N373E360-N365 WeakPolarHBondContact O-CB 3.36Å; E360-N365 PolarHBondContact O-ND2 3.39Å; S362-N365 PolarHBondContact O-N 3.42Å; S362-N365 VanDerWaalsContact O-N 3.1Å; S362-N365 WeakPolarHBondContact OG-CB 3.14Å; S362-N365 PolarHBondContact OG-N 3.25Å; S362-N365 PolarHBondContact OG-ND2 3.38Å; N365-W367 VanDerWaalsContact C-N 3.31Å; N365-W367 PolarHBondContact O-N 2.97Å; N365-F368 PolarHBondContact O-N 2.76Å; N365-S369 WeakPolarHBondContact O-CB 3.18Å; N365-S369 PolarHBondContact O-N 2.62Å; N365-S369 PolarHBondContact O-OG 3.33Å; N365-N373 HydrophobicContact CB-CB 4.48Å
366D97.9Very high97.9Very high12 Ų1236.3 Ų36.36%0.06417%0.166CC..Hα-helixtrans-62.8-37.9178.3-60.2-10.9000111.1S362 F364 G370 H371 N373S362-D366 VanDerWaalsContact O-CB 3.32Å; S362-D366 WeakPolarHBondContact O-CB 3.37Å; S362-D366 PolarHBondContact O-N 3.4Å; F364-D366 VanDerWaalsContact C-N 3.33Å; F364-D366 PolarHBondContact O-N 3.24Å; D366-G370 CarbonylContact O-C 3.59Å; D366-G370 WeakPolarHBondContact O-CA 3.31Å; D366-G370 PolarHBondContact O-N 3.2Å; D366-H371 PolarHBondContact O-N 2.93Å; D366-H371 PolarHBondContact O-ND1 3.09Å; D366-N373 PolarHBondContact OD1-ND2 2.75Å; D366-N373 PolarHBondContact OD1-OD1 3.22Å
367W97.6Very high97.9Very high87 Ų8736.2 Ų36.233%0.3317%0.166SC..Hα-helixtrans-78.2-45.5175172.483.3000112.8H132 T163 Q167 W326 F363 F364 N365 S369 G370H132-W367 AromaticContact CE1-NE1 3.59Å; T163-W367 HydrophobicContact CG2-CH2 4.1Å; T163-W367 HydrophobicContact CG2-CZ2 3.8Å; Q167-W367 PolarHBondContact NE2-O 2.83Å; W326-W367 AromaticContact CH2-CH2 3.79Å; W326-W367 HydrophobicContact CH2-CH2 3.79Å; W326-W367 HydrophobicContact CH2-CZ3 4.07Å; W326-W367 HydrophobicContact CZ2-CH2 4.28Å; W326-W367 HydrophobicContact CZ2-CZ3 4.16Å; F363-W367 WeakPolarHBondContact O-CB 3.31Å; F363-W367 PolarHBondContact O-N 2.91Å; F364-W367 HydrophobicContact CD2-CE3 4.38Å; F364-W367 HydrophobicContact CE2-CE3 4.33Å; F364-W367 HydrophobicContact CE2-CZ3 4.17Å; F364-W367 PolarHBondContact O-N 3.49Å; N365-W367 VanDerWaalsContact C-N 3.31Å; N365-W367 PolarHBondContact O-N 2.97Å; W367-S369 PolarHBondContact O-N 3.47Å; W367-G370 PolarHBondContact O-N 3.27Å
368F98.1Very high98Very high33 Ų3336.2 Ų36.215%0.14517%0.166CC..Hα-helixtrans-64.7-43.3-173.8-179.8-98.2000111.5W170 W326 V330 F364 N365 L412 M416W170-F368 PolarHBondContact NE1-O 3.22Å; W326-F368 AromaticContact CD1-CE2 3.94Å; W326-F368 AromaticContact CD1-CZ 3.69Å; W326-F368 AromaticContact CD2-CE2 3.96Å; W326-F368 HydrophobicContact CD2-CE2 3.96Å; W326-F368 HydrophobicContact CD2-CZ 4.39Å; W326-F368 AromaticContact CE2-CD2 3.47Å; W326-F368 VanDerWaalsContact CE2-CD2 3.47Å; W326-F368 AromaticContact CE2-CE2 3.32Å; W326-F368 AromaticContact CE2-CZ 3.91Å; W326-F368 HydrophobicContact CG-CE2 4.32Å; W326-F368 HydrophobicContact CG-CZ 4.27Å; W326-F368 HydrophobicContact CH2-CD2 4.22Å; W326-F368 HydrophobicContact CH2-CE2 4.35Å; W326-F368 AromaticContact CZ2-CD2 3.3Å; W326-F368 HydrophobicContact CZ2-CD2 3.3Å; W326-F368 AromaticContact CZ2-CE2 3.56Å; W326-F368 HydrophobicContact CZ2-CE2 3.56Å; W326-F368 HydrophobicContact CZ2-CG 4.12Å; W326-F368 AromaticContact NE1-CD1 3.92Å; W326-F368 AromaticContact NE1-CD2 3.5Å; W326-F368 AromaticContact NE1-CE1 3.76Å; W326-F368 AromaticContact NE1-CE2 3.32Å; W326-F368 VanDerWaalsContact NE1-CE2 3.32Å; W326-F368 AromaticContact NE1-CG 3.79Å; W326-F368 AromaticContact NE1-CZ 3.45Å; W326-F368 PolarHBondContact NE1-O 3.27Å; V330-F368 HydrophobicContact CG2-CD1 3.87Å; V330-F368 HydrophobicContact CG2-CE1 3.54Å; V330-F368 HydrophobicContact CG2-CZ 4.39Å; F364-F368 HydrophobicContact CD1-CB 4.38Å; F364-F368 HydrophobicContact CE1-CB 4.03Å; F364-F368 HydrophobicContact CE1-CD2 4.21Å; F364-F368 HydrophobicContact CE1-CG 4.03Å; F364-F368 HydrophobicContact CE2-CB 4.35Å; F364-F368 HydrophobicContact CE2-CD2 4.25Å; F364-F368 HydrophobicContact CZ-CB 4.02Å; F364-F368 AromaticContact CZ-CD2 3.63Å; F364-F368 HydrophobicContact CZ-CD2 3.63Å; F364-F368 HydrophobicContact CZ-CE2 4.32Å; F364-F368 AromaticContact CZ-CG 3.9Å; F364-F368 HydrophobicContact CZ-CG 3.9Å; F364-F368 WeakPolarHBondContact O-CB 3.21Å; F364-F368 PolarHBondContact O-N 3.07Å; N365-F368 PolarHBondContact O-N 2.76Å; F368-L412 HydrophobicContact CD1-CD2 4.41Å; F368-M416 HydrophobicContact CE1-CE 4.02Å; F368-M416 HydrophobicContact CZ-CE 4.4Å
369S97.9Very high97.9Very high1 Ų136.1 Ų36.11%0.00717%0.165CC..THydrogen-bonded Turntrans-90.3-7.6178.672.40000113.6N365 W367 H371 L372 N373N365-S369 WeakPolarHBondContact O-CB 3.18Å; N365-S369 PolarHBondContact O-N 2.62Å; N365-S369 PolarHBondContact O-OG 3.33Å; W367-S369 PolarHBondContact O-N 3.47Å; S369-H371 VanDerWaalsContact C-N 3.32Å; S369-H371 PolarHBondContact OG-N 3Å; S369-L372 WeakPolarHBondContact O-CB 3.41Å; S369-L372 WeakPolarHBondContact O-CG 3.27Å; S369-L372 PolarHBondContact O-N 3.49Å; S369-L372 PolarHBondContact OG-N 2.88Å; S369-N373 PolarHBondContact OG-N 3.25Å; S369-N373 PolarHBondContact OG-OD1 3.08Å
370G97.2Very high97.9Very high4 Ų436 Ų364%0.04117%0.165CC..THydrogen-bonded Turntrans6141.9-169.200000112.4D366 W367 L372 R386D366-G370 CarbonylContact O-C 3.59Å; D366-G370 WeakPolarHBondContact O-CA 3.31Å; D366-G370 PolarHBondContact O-N 3.2Å; W367-G370 PolarHBondContact O-N 3.27Å; G370-L372 PolarHBondContact O-N 2.83Å; G370-R386 VanDerWaalsContact O-CD 3.27Å; G370-R386 WeakPolarHBondContact O-CD 3.26Å
371H97.8Very high97.9Very high16 Ų1631.6 Ų31.67%0.07414%0.144CC..THydrogen-bonded Turntrans667.7-176.2-6050.4000115.6F125 D366 S369 N373 F374 R386 Y389F125-H371 AromaticContact CZ-CE1 3.97Å; D366-H371 PolarHBondContact O-N 2.93Å; D366-H371 PolarHBondContact O-ND1 3.09Å; S369-H371 VanDerWaalsContact C-N 3.32Å; S369-H371 PolarHBondContact OG-N 3Å; H371-N373 WeakPolarHBondContact CA-OD1 3.48Å; H371-N373 PolarHBondContact O-N 2.87Å; H371-N373 VanDerWaalsContact O-N 3.15Å; H371-F374 PolarHBondContact O-N 3.31Å; H371-R386 HydrophobicContact CB-CB 3.92Å; H371-R386 HydrophobicContact CB-CG 4.2Å; H371-R386 PolarHBondContact CD2-O 3.47Å; H371-R386 VanDerWaalsContact CD2-O 3.23Å; H371-Y389 HydrophobicContact CB-CD2 4.21Å
372L97.1Very high97.9Very high7 Ų726.1 Ų26.14%0.03712%0.12CC..G310 helixtrans-67.8-4.9170.3-63.6175.9000112.8W170 V330 N334 S369 G370 F374 Q375W170-L372 HydrophobicContact CE3-CD1 3.68Å; W170-L372 HydrophobicContact CH2-CD1 4.33Å; W170-L372 HydrophobicContact CZ3-CD1 3.52Å; V330-L372 HydrophobicContact CG1-CB 4.26Å; V330-L372 HydrophobicContact CG1-CD1 4.08Å; N334-L372 PolarHBondContact ND2-O 3.19Å; S369-L372 WeakPolarHBondContact O-CB 3.41Å; S369-L372 WeakPolarHBondContact O-CG 3.27Å; S369-L372 PolarHBondContact O-N 3.49Å; S369-L372 PolarHBondContact OG-N 2.88Å; G370-L372 PolarHBondContact O-N 2.83Å; L372-F374 PolarHBondContact O-N 3.26Å; L372-Q375 PolarHBondContact O-N 2.58Å; L372-Q375 PolarHBondContact O-OE1 3.41Å
373N98.2Very high97.8Very high0 Ų026.4 Ų26.40%012%0.115CC..G310 helixtrans-61.4-15.6161.461.7-62000113.3N358 I359 N365 D366 S369 H371N358-N373 CarbonylContact C-O 3.55Å; N358-N373 VanDerWaalsContact CA-O 3.28Å; N358-N373 WeakPolarHBondContact CA-O 3.5Å; N358-N373 VanDerWaalsContact CB-O 3.28Å; N358-N373 WeakPolarHBondContact CB-O 3.21Å; N358-N373 PolarHBondContact OD1-O 3.4Å; I359-N373 HydrophobicContact CB-CB 3.67Å; I359-N373 HydrophobicContact CG2-CB 4.3Å; I359-N373 PolarHBondContact N-O 3.33Å; I359-N373 VanDerWaalsContact O-O 3.13Å; N365-N373 HydrophobicContact CB-CB 4.48Å; D366-N373 PolarHBondContact OD1-ND2 2.75Å; D366-N373 PolarHBondContact OD1-OD1 3.22Å; S369-N373 PolarHBondContact OG-N 3.25Å; S369-N373 PolarHBondContact OG-OD1 3.08Å; H371-N373 WeakPolarHBondContact CA-OD1 3.48Å; H371-N373 PolarHBondContact O-N 2.87Å; H371-N373 VanDerWaalsContact O-N 3.15Å
374F98.5Very high97.9Very high13 Ų1317.1 Ų17.16%0.0577%0.074CC..G310 helixtrans-103.251.7170.4-63.3-85.9000111.9N358 K361 H371 L372 I376 E377 H378 Y389 Q390 A393N358-F374 WeakPolarHBondContact OD1-CA 3.43Å; K361-F374 HydrophobicContact CB-CZ 3.86Å; K361-F374 HydrophobicContact CD-CZ 3.97Å; K361-F374 HydrophobicContact CG-CE2 4.42Å; K361-F374 HydrophobicContact CG-CZ 3.84Å; H371-F374 PolarHBondContact O-N 3.31Å; L372-F374 PolarHBondContact O-N 3.26Å; F374-I376 VanDerWaalsContact C-N 3.3Å; F374-I376 PolarHBondContact O-N 3.37Å; F374-E377 HydrophobicContact CB-CB 4.48Å; F374-E377 WeakPolarHBondContact CB-OE2 3.15Å; F374-E377 PolarHBondContact O-N 2.91Å; F374-H378 VanDerWaalsContact O-CB 3.25Å; F374-H378 WeakPolarHBondContact O-CB 3.38Å; F374-H378 PolarHBondContact O-N 3.28Å; F374-Y389 HydrophobicContact CB-CD2 3.95Å; F374-Y389 HydrophobicContact CB-CG 4.11Å; F374-Q390 HydrophobicContact CE1-CB 4.11Å; F374-Q390 HydrophobicContact CE2-CB 4.31Å; F374-Q390 HydrophobicContact CZ-CB 3.74Å; F374-A393 HydrophobicContact CD1-CB 4.19Å; F374-A393 HydrophobicContact CE1-CB 4.2Å
375Q98.2Very high97.9Very high10 Ų1011.9 Ų11.95%0.0475%0.051CC..Hα-helixtrans-63.2-33.9-176-16067.63.100113.3N334 H335 T356 C357 N358 L372 H378 H379N334-Q375 HydrophobicContact CB-CB 3.66Å; N334-Q375 HydrophobicContact CB-CG 3.64Å; H335-Q375 PolarHBondContact NE2-NE2 2.89Å; T356-Q375 HydrophobicContact CG2-CG 3.81Å; C357-Q375 WeakPolarHBondContact O-CB 3.29Å; N358-Q375 PolarHBondContact OD1-N 3.46Å; L372-Q375 PolarHBondContact O-N 2.58Å; L372-Q375 PolarHBondContact O-OE1 3.41Å; Q375-H378 PolarHBondContact O-N 3.4Å; Q375-H379 PolarHBondContact NE2-CD2 2.87Å; Q375-H379 PolarHBondContact NE2-NE2 2.85Å; Q375-H379 VanDerWaalsContact NE2-NE2 3.13Å; Q375-H379 WeakPolarHBondContact O-CB 3.27Å; Q375-H379 PolarHBondContact O-CD2 3.37Å; Q375-H379 VanDerWaalsContact O-CD2 3.26Å; Q375-H379 PolarHBondContact O-N 2.91Å
376I98.6Very high97.8Very high1 Ų111.4 Ų11.41%0.0055%0.049CC..Hα-helixtrans-59.7-55.1176-71.6169.8000110.1L353 N358 F374 H378 H379 L380 V396 Y407L353-I376 HydrophobicContact CD2-CG2 3.57Å; N358-I376 HydrophobicContact CB-CD1 4.38Å; N358-I376 WeakPolarHBondContact OD1-CB 3.37Å; N358-I376 PolarHBondContact OD1-N 3.47Å; F374-I376 VanDerWaalsContact C-N 3.3Å; F374-I376 PolarHBondContact O-N 3.37Å; I376-H378 VanDerWaalsContact C-N 3.28Å; I376-H378 PolarHBondContact O-N 2.76Å; I376-H379 PolarHBondContact O-N 3.32Å; I376-L380 HydrophobicContact CG2-CD1 4.21Å; I376-L380 WeakPolarHBondContact O-CG 3.26Å; I376-L380 PolarHBondContact O-N 3.07Å; I376-V396 HydrophobicContact CG2-CG1 3.75Å; I376-Y407 HydrophobicContact CB-CE2 4.47Å; I376-Y407 HydrophobicContact CD1-CD2 3.97Å; I376-Y407 HydrophobicContact CD1-CE2 3.93Å; I376-Y407 HydrophobicContact CD1-CG 4.32Å; I376-Y407 HydrophobicContact CG2-CD2 4.39Å; I376-Y407 HydrophobicContact CG2-CE2 3.93Å
377E98.6Very high97.8Very high0 Ų011.5 Ų11.50%05%0.049CC..Hα-helixtrans-64.5-38-179.5-66.969.1-153.200111.1N358 F374 H379 L380 F381 Y389 V392 A393 V396 Y407N358-E377 PolarHBondContact ND2-OE1 2.89Å; N358-E377 PolarHBondContact ND2-OE2 2.86Å; F374-E377 HydrophobicContact CB-CB 4.48Å; F374-E377 WeakPolarHBondContact CB-OE2 3.15Å; F374-E377 PolarHBondContact O-N 2.91Å; E377-H379 VanDerWaalsContact C-N 3.35Å; E377-H379 PolarHBondContact O-N 3.06Å; E377-L380 PolarHBondContact O-N 3.4Å; E377-F381 WeakPolarHBondContact O-CA 3.33Å; E377-F381 WeakPolarHBondContact O-CB 3.36Å; E377-F381 PolarHBondContact O-N 3.37Å; E377-Y389 HydrophobicContact CB-CD1 4.18Å; E377-Y389 HydrophobicContact CB-CG 4.29Å; E377-V392 HydrophobicContact CB-CG1 4.05Å; E377-V392 HydrophobicContact CG-CG1 3.76Å; E377-A393 HydrophobicContact CG-CB 3.98Å; E377-A393 VanDerWaalsContact OE1-CA 3.29Å; E377-A393 WeakPolarHBondContact OE1-CA 3.47Å; E377-A393 VanDerWaalsContact OE1-CB 3.31Å; E377-A393 WeakPolarHBondContact OE1-CB 3.37Å; E377-V396 HydrophobicContact CG-CG2 4.31Å; E377-Y407 WeakPolarHBondContact OE1-CE2 3.26Å; E377-Y407 PolarHBondContact OE1-OH 3.42Å
378H98.4Very high97.8Very high0 Ų07.6 Ų7.60%03%0.034CC..Hα-helixtrans-58.6-45175.6173.850.5000112H173 H177 H214 F374 Q375 I376 F381 P382 Y389H173-H378 AromaticContact CE1-CE1 3.07Å; H173-H378 PolarHBondContact CE1-CE1 2.79Å; H173-H378 AromaticContact CE1-ND1 3.71Å; H173-H378 AromaticContact CE1-NE2 3.28Å; H173-H378 PolarHBondContact CE1-NE2 3.43Å; H173-H378 VanDerWaalsContact CE1-NE2 3.28Å; H173-H378 AromaticContact NE2-CE1 3.51Å; H173-H378 AromaticContact NE2-NE2 3.26Å; H173-H378 PolarHBondContact NE2-NE2 3Å; H177-H378 AromaticContact CD2-CE1 3.71Å; H177-H378 AromaticContact CE1-CE1 3.77Å; H177-H378 AromaticContact NE2-CE1 3.3Å; H177-H378 PolarHBondContact NE2-CE1 3.49Å; H177-H378 VanDerWaalsContact NE2-CE1 3.3Å; H177-H378 AromaticContact NE2-NE2 3.71Å; H214-H378 AromaticContact CE1-CD2 3.62Å; H214-H378 AromaticContact CE1-CE1 3.66Å; H214-H378 AromaticContact CE1-NE2 3.03Å; H214-H378 PolarHBondContact CE1-NE2 2.98Å; H214-H378 AromaticContact NE2-CE1 3.73Å; H214-H378 AromaticContact NE2-NE2 3.11Å; H214-H378 PolarHBondContact NE2-NE2 3.4Å; H214-H378 VanDerWaalsContact NE2-NE2 3.11Å; F374-H378 VanDerWaalsContact O-CB 3.25Å; F374-H378 WeakPolarHBondContact O-CB 3.38Å; F374-H378 PolarHBondContact O-N 3.28Å; Q375-H378 PolarHBondContact O-N 3.4Å; I376-H378 VanDerWaalsContact C-N 3.28Å; I376-H378 PolarHBondContact O-N 2.76Å; H378-F381 CarbonylContact O-C 3.55Å; H378-P382 WeakPolarHBondContact O-CA 3.49Å; H378-Y389 HydrophobicContact CB-CE2 3.99Å; H378-Y389 AromaticContact ND1-CZ 3.83Å; H378-Y389 PolarHBondContact ND1-OH 2.94Å; H378-Y389 VanDerWaalsContact ND1-OH 3.09Å
379H98.3Very high97.8Very high0 Ų06.1 Ų6.10%03%0.028CC..Hα-helixtrans-71.9-35.8179-88.6-105.2000113.7H213 H214 H335 W348 Q352 T356 Q375 I376 E377H213-H379 AromaticContact CD2-CE1 3.74Å; H213-H379 AromaticContact NE2-CE1 3.24Å; H213-H379 PolarHBondContact NE2-CE1 2.91Å; H213-H379 AromaticContact NE2-NE2 3.41Å; H213-H379 PolarHBondContact NE2-NE2 2.91Å; H214-H379 AromaticContact CE1-CD2 3.71Å; H214-H379 AromaticContact CE1-CE1 3.62Å; H214-H379 AromaticContact CE1-CG 3.94Å; H214-H379 AromaticContact CE1-ND1 3.89Å; H214-H379 AromaticContact CE1-NE2 3.5Å; H214-H379 AromaticContact ND1-CE1 3.55Å; H214-H379 AromaticContact ND1-CG 3.89Å; H214-H379 AromaticContact ND1-ND1 3.54Å; H214-H379 AromaticContact ND1-NE2 3.9Å; H335-H379 AromaticContact CE1-CE1 3.49Å; H335-H379 PolarHBondContact CE1-CE1 3.21Å; H335-H379 VanDerWaalsContact CE1-CE1 3.49Å; H335-H379 AromaticContact CE1-NE2 3.24Å; H335-H379 PolarHBondContact CE1-NE2 3.47Å; H335-H379 AromaticContact NE2-NE2 3.37Å; H335-H379 PolarHBondContact NE2-NE2 3.42Å; W348-H379 VanDerWaalsContact CH2-O 3.3Å; W348-H379 WeakPolarHBondContact CH2-O 3.17Å; Q352-H379 HydrophobicContact CB-CB 4.21Å; Q352-H379 PolarHBondContact OE1-ND1 3.43Å; T356-H379 HydrophobicContact CG2-CB 4.11Å; Q375-H379 PolarHBondContact NE2-CD2 2.87Å; Q375-H379 PolarHBondContact NE2-NE2 2.85Å; Q375-H379 VanDerWaalsContact NE2-NE2 3.13Å; Q375-H379 WeakPolarHBondContact O-CB 3.27Å; Q375-H379 PolarHBondContact O-CD2 3.37Å; Q375-H379 VanDerWaalsContact O-CD2 3.26Å; Q375-H379 PolarHBondContact O-N 2.91Å; I376-H379 PolarHBondContact O-N 3.32Å; E377-H379 VanDerWaalsContact C-N 3.35Å; E377-H379 PolarHBondContact O-N 3.06Å
380L98.3Very high97.8Very high1 Ų19.4 Ų9.41%0.0054%0.043CC..Hα-helixtrans-73.2-34.3176.6-68.4-178.6000112.6F106 W348 V349 Q352 L353 I376 E377 V396F106-L380 HydrophobicContact CE2-CB 3.9Å; F106-L380 HydrophobicContact CE2-CD1 4.14Å; F106-L380 HydrophobicContact CE2-CD2 4.08Å; F106-L380 HydrophobicContact CE2-CG 4.27Å; F106-L380 HydrophobicContact CZ-CB 3.94Å; F106-L380 HydrophobicContact CZ-CD2 4.06Å; F106-L380 HydrophobicContact CZ-CG 4.49Å; W348-L380 HydrophobicContact CZ3-CD2 4.06Å; V349-L380 HydrophobicContact CG1-CD2 3.94Å; Q352-L380 HydrophobicContact CB-CD2 3.93Å; Q352-L380 HydrophobicContact CG-CD2 4.46Å; L353-L380 HydrophobicContact CD2-CD1 4.06Å; L353-L380 HydrophobicContact CG-CD1 4.47Å; I376-L380 HydrophobicContact CG2-CD1 4.21Å; I376-L380 WeakPolarHBondContact O-CG 3.26Å; I376-L380 PolarHBondContact O-N 3.07Å; E377-L380 PolarHBondContact O-N 3.4Å; L380-V396 HydrophobicContact CD1-CG1 3.58Å; L380-V396 HydrophobicContact CD1-CG2 4.17Å
381F98Very high97.8Very high2 Ų213.5 Ų13.51%0.0096%0.063CC..  trans-130.863.8-176.8-50.4-73.7000111.8F106 L109 R110 V113 F119 E377 H378 R383 M384 V392 V396F106-F381 HydrophobicContact CD2-CZ 4.34Å; F106-F381 AromaticContact CE2-CE1 3.69Å; F106-F381 HydrophobicContact CE2-CE1 3.69Å; F106-F381 HydrophobicContact CE2-CE2 4.18Å; F106-F381 AromaticContact CE2-CZ 3.46Å; F106-F381 HydrophobicContact CE2-CZ 3.46Å; F106-F381 VanDerWaalsContact CE2-CZ 3.46Å; F106-F381 HydrophobicContact CZ-CD1 4.44Å; F106-F381 AromaticContact CZ-CE1 3.89Å; F106-F381 HydrophobicContact CZ-CE1 3.89Å; F106-F381 HydrophobicContact CZ-CZ 4.12Å; L109-F381 HydrophobicContact CD2-CZ 4.12Å; L109-F381 HydrophobicContact CG-CZ 4.21Å; R110-F381 HydrophobicContact CB-CE1 4.17Å; R110-F381 HydrophobicContact CG-CE1 4.41Å; V113-F381 HydrophobicContact CG2-CE1 4.14Å; V113-F381 HydrophobicContact CG2-CZ 4.5Å; F119-F381 HydrophobicContact CE1-CB 4.39Å; F119-F381 HydrophobicContact CZ-CB 4.34Å; F119-F381 AromaticContact CZ-CD1 3.92Å; F119-F381 HydrophobicContact CZ-CD1 3.92Å; E377-F381 WeakPolarHBondContact O-CA 3.33Å; E377-F381 WeakPolarHBondContact O-CB 3.36Å; E377-F381 PolarHBondContact O-N 3.37Å; H378-F381 CarbonylContact O-C 3.55Å; F381-R383 PolarHBondContact O-N 2.95Å; F381-M384 HydrophobicContact CB-CB 3.75Å; F381-M384 HydrophobicContact CB-CE 3.99Å; F381-M384 HydrophobicContact CD1-CE 4.44Å; F381-M384 HydrophobicContact CD2-CE 4.18Å; F381-M384 HydrophobicContact CG-CE 3.96Å; F381-M384 VanDerWaalsContact O-CB 3.27Å; F381-M384 WeakPolarHBondContact O-CB 3.18Å; F381-M384 PolarHBondContact O-N 3.42Å; F381-V392 HydrophobicContact CD2-CG1 4.28Å; F381-V392 HydrophobicContact CD2-CG2 4.19Å; F381-V392 HydrophobicContact CE2-CG1 4.43Å; F381-V392 HydrophobicContact CE2-CG2 3.61Å; F381-V392 HydrophobicContact CZ-CG2 4.14Å; F381-V396 HydrophobicContact CE2-CG2 3.76Å
382P96.4Very high97.9Very high1 Ų112.7 Ų12.71%0.0066%0.06CC..THydrogen-bonded Turntrans-60.3-27.8-172.622.1-33.9000113.3A67 F68 H177 H378A67-P382 HydrophobicContact CB-CG 4.27Å; F68-P382 HydrophobicContact CD1-CG 3.98Å; F68-P382 HydrophobicContact CE1-CG 3.84Å; H177-P382 VanDerWaalsContact CB-O 3.23Å; H177-P382 WeakPolarHBondContact CB-O 3.36Å; H378-P382 WeakPolarHBondContact O-CA 3.49Å
383R96.2Very high97.9Very high48 Ų4812.8 Ų12.818%0.1816%0.061CC..THydrogen-bonded Turntrans-85.9-5.2177.4-60-170.7-67.3111.8-6.2114.2T66 A67 F119 S179 F381T66-R383 PolarHBondContact O-NH2 3.48Å; A67-R383 WeakPolarHBondContact O-CD 3.42Å; A67-R383 WeakPolarHBondContact O-CG 3.46Å; A67-R383 PolarHBondContact O-NE 3.08Å; F119-R383 HydrophobicContact CD1-CB 4.33Å; F119-R383 HydrophobicContact CE1-CB 4.29Å; S179-R383 WeakPolarHBondContact CA-O 3.23Å; S179-R383 VanDerWaalsContact CB-O 3.22Å; S179-R383 WeakPolarHBondContact CB-O 3.17Å; F381-R383 PolarHBondContact O-N 2.95Å
384M98.1Very high98Very high0 Ų016.6 Ų16.60%09%0.086CC..SBendtrans-73.6127.8176.3-180-178.8-62.100108.8V113 L118 F119 F381 R386 N388 Y389 V392V113-M384 HydrophobicContact CB-CE 4.41Å; V113-M384 HydrophobicContact CG2-CE 4.13Å; L118-M384 HydrophobicContact CB-CE 3.84Å; L118-M384 HydrophobicContact CB-SD 4.24Å; L118-M384 HydrophobicContact CD1-CE 4.43Å; L118-M384 WeakPolarHBondContact O-CG 3.47Å; F119-M384 HydrophobicContact CD1-CB 4.03Å; F119-M384 HydrophobicContact CE1-CB 3.94Å; F119-M384 HydrophobicContact CZ-CE 4.46Å; F381-M384 HydrophobicContact CB-CB 3.75Å; F381-M384 HydrophobicContact CB-CE 3.99Å; F381-M384 HydrophobicContact CD1-CE 4.44Å; F381-M384 HydrophobicContact CD2-CE 4.18Å; F381-M384 HydrophobicContact CG-CE 3.96Å; F381-M384 VanDerWaalsContact O-CB 3.27Å; F381-M384 WeakPolarHBondContact O-CB 3.18Å; F381-M384 PolarHBondContact O-N 3.42Å; M384-R386 PolarHBondContact O-N 3.38Å; M384-N388 HydrophobicContact CG-CB 4.02Å; M384-N388 HydrophobicContact SD-CB 3.97Å; M384-Y389 HydrophobicContact CB-CD1 4.4Å; M384-Y389 HydrophobicContact CB-CE1 3.95Å; M384-Y389 HydrophobicContact CG-CD1 4.19Å; M384-Y389 HydrophobicContact CG-CE1 4.17Å; M384-Y389 WeakPolarHBondContact O-CE1 3.47Å; M384-Y389 PolarHBondContact O-OH 3.03Å; M384-Y389 VanDerWaalsContact O-OH 3.07Å; M384-Y389 HydrophobicContact SD-CD1 4.02Å; M384-V392 HydrophobicContact CE-CB 4.11Å; M384-V392 HydrophobicContact CE-CG1 3.91Å; M384-V392 HydrophobicContact CE-CG2 4.31Å; M384-V392 HydrophobicContact SD-CB 4.26Å; M384-V392 HydrophobicContact SD-CG1 3.61Å
385P97.9Very high98Very high0 Ų018.6 Ų18.60%010%0.095CC..  trans-57.3133.1174.2-17.724.1000111.3L118 A121 F126 S179 H387 N388L118-P385 WeakPolarHBondContact O-CD 3.37Å; A121-P385 HydrophobicContact CB-CB 4.23Å; A121-P385 HydrophobicContact CB-CG 3.84Å; F126-P385 HydrophobicContact CE2-CB 4.2Å; F126-P385 HydrophobicContact CZ-CB 3.96Å; S179-P385 WeakPolarHBondContact O-CG 3.38Å; P385-H387 WeakPolarHBondContact CB-CE1 3.35Å; P385-H387 PolarHBondContact O-N 3.12Å; P385-N388 PolarHBondContact O-N 2.64Å
386R97.3Very high98Very high4 Ų418.1 Ų18.12%0.0159%0.093CC..G310 helixtrans-57.5-26.9-168.473178.8-174.1-162.513.7117.1F125 H129 W170 D174 G370 H371 M384 N388 Y389F125-R386 HydrophobicContact CE1-CG 3.83Å; F125-R386 HydrophobicContact CZ-CG 4.09Å; H129-R386 PolarHBondContact CD2-NH2 3.03Å; H129-R386 PolarHBondContact CE1-NH2 3.29Å; H129-R386 PolarHBondContact ND1-NH2 3.46Å; H129-R386 PolarHBondContact NE2-NH2 3.43Å; W170-R386 VanDerWaalsContact C-NH1 3.29Å; W170-R386 VanDerWaalsContact CB-NH1 3.29Å; W170-R386 PolarHBondContact O-NH1 2.84Å; D174-R386 WeakPolarHBondContact OD1-CB 3.47Å; D174-R386 WeakPolarHBondContact OD1-CD 3.44Å; D174-R386 VanDerWaalsContact OD1-CG 3.3Å; D174-R386 WeakPolarHBondContact OD1-CG 3.47Å; D174-R386 VanDerWaalsContact OD2-CD 3.28Å; D174-R386 WeakPolarHBondContact OD2-CD 3.42Å; D174-R386 IonicContact OD2-CZ 3.45Å; D174-R386 IonicContact OD2-NE 3.09Å; D174-R386 PolarHBondContact OD2-NE 3.34Å; D174-R386 IonicContact OD2-NH1 2.93Å; D174-R386 PolarHBondContact OD2-NH1 3.39Å; G370-R386 VanDerWaalsContact O-CD 3.27Å; G370-R386 WeakPolarHBondContact O-CD 3.26Å; H371-R386 HydrophobicContact CB-CB 3.92Å; H371-R386 HydrophobicContact CB-CG 4.2Å; H371-R386 PolarHBondContact CD2-O 3.47Å; H371-R386 VanDerWaalsContact CD2-O 3.23Å; M384-R386 PolarHBondContact O-N 3.38Å; R386-N388 PolarHBondContact O-N 3.33Å; R386-N388 VanDerWaalsContact O-N 3.15Å; R386-Y389 VanDerWaalsContact CA-CE2 3.44Å; R386-Y389 HydrophobicContact CB-CD2 3.92Å; R386-Y389 HydrophobicContact CB-CE2 3.49Å; R386-Y389 VanDerWaalsContact CB-CE2 3.49Å; R386-Y389 WeakPolarHBondContact O-CD2 3.1Å; R386-Y389 PolarHBondContact O-N 3.17Å
387H97.1Very high98Very high13 Ų1323.3 Ų23.36%0.0611%0.113CC..G310 helixtrans-67.9-12177.759.5-87.1000113.6K122 F125 F126 P385 Q390K122-H387 WeakPolarHBondContact CG-NE2 3.25Å; K122-H387 PolarHBondContact N-CE1 2.89Å; K122-H387 VanDerWaalsContact N-CE1 3.32Å; K122-H387 PolarHBondContact N-NE2 3.49Å; F125-H387 HydrophobicContact CD1-CB 4.23Å; F125-H387 AromaticContact CD1-ND1 3.67Å; F125-H387 HydrophobicContact CD2-CB 4.01Å; F125-H387 HydrophobicContact CE1-CB 4.06Å; F125-H387 HydrophobicContact CE2-CB 3.83Å; F125-H387 HydrophobicContact CG-CB 4.2Å; F125-H387 HydrophobicContact CZ-CB 3.85Å; F126-H387 AromaticContact CE2-CE1 3.77Å; F126-H387 AromaticContact CE2-ND1 3.87Å; F126-H387 AromaticContact CZ-ND1 3.93Å; P385-H387 WeakPolarHBondContact CB-CE1 3.35Å; P385-H387 PolarHBondContact O-N 3.12Å; H387-Q390 PolarHBondContact O-NE2 3.5Å
388N98.3Very high98Very high5 Ų529.6 Ų29.63%0.02714%0.142CC..G310 helixtrans-99.7-6.6178.5-64.3-30.4000113.5L118 M384 P385 R386 Q390 L391 V392L118-N388 HydrophobicContact CB-CB 4.37Å; L118-N388 PolarHBondContact O-ND2 3.08Å; M384-N388 HydrophobicContact CG-CB 4.02Å; M384-N388 HydrophobicContact SD-CB 3.97Å; P385-N388 PolarHBondContact O-N 2.64Å; R386-N388 PolarHBondContact O-N 3.33Å; R386-N388 VanDerWaalsContact O-N 3.15Å; N388-Q390 VanDerWaalsContact C-N 3.29Å; N388-Q390 PolarHBondContact O-N 2.82Å; N388-L391 HydrophobicContact CB-CD1 4.33Å; N388-L391 WeakPolarHBondContact O-CB 3.41Å; N388-L391 PolarHBondContact O-N 3.02Å; N388-V392 PolarHBondContact O-N 2.83Å
389Y98.4Very high98Very high3 Ų330.2 Ų30.21%0.01215%0.146CC..Hα-helixtrans-57-43.2-179.9-63.6-28.4000112.4H371 F374 E377 H378 M384 R386 L391 V392 A393H371-Y389 HydrophobicContact CB-CD2 4.21Å; F374-Y389 HydrophobicContact CB-CD2 3.95Å; F374-Y389 HydrophobicContact CB-CG 4.11Å; E377-Y389 HydrophobicContact CB-CD1 4.18Å; E377-Y389 HydrophobicContact CB-CG 4.29Å; H378-Y389 HydrophobicContact CB-CE2 3.99Å; H378-Y389 AromaticContact ND1-CZ 3.83Å; H378-Y389 PolarHBondContact ND1-OH 2.94Å; H378-Y389 VanDerWaalsContact ND1-OH 3.09Å; M384-Y389 HydrophobicContact CB-CD1 4.4Å; M384-Y389 HydrophobicContact CB-CE1 3.95Å; M384-Y389 HydrophobicContact CG-CD1 4.19Å; M384-Y389 HydrophobicContact CG-CE1 4.17Å; M384-Y389 WeakPolarHBondContact O-CE1 3.47Å; M384-Y389 PolarHBondContact O-OH 3.03Å; M384-Y389 VanDerWaalsContact O-OH 3.07Å; M384-Y389 HydrophobicContact SD-CD1 4.02Å; R386-Y389 VanDerWaalsContact CA-CE2 3.44Å; R386-Y389 HydrophobicContact CB-CD2 3.92Å; R386-Y389 HydrophobicContact CB-CE2 3.49Å; R386-Y389 VanDerWaalsContact CB-CE2 3.49Å; R386-Y389 WeakPolarHBondContact O-CD2 3.1Å; R386-Y389 PolarHBondContact O-N 3.17Å; Y389-L391 PolarHBondContact O-N 2.83Å; Y389-L391 VanDerWaalsContact O-N 3.1Å; Y389-V392 VanDerWaalsContact O-CG1 3.3Å; Y389-V392 WeakPolarHBondContact O-CG1 3.1Å; Y389-V392 PolarHBondContact O-N 2.87Å; Y389-A393 WeakPolarHBondContact O-CB 3.31Å; Y389-A393 PolarHBondContact O-N 3Å
390Q97.3Very high98Very high70 Ų7030.2 Ų30.233%0.32715%0.146SC..Hα-helixtrans-59.1-24.5175.870.2-173.4-54.600114.2K361 F374 H387 N388K361-Q390 HydrophobicContact CD-CB 4.44Å; F374-Q390 HydrophobicContact CE1-CB 4.11Å; F374-Q390 HydrophobicContact CE2-CB 4.31Å; F374-Q390 HydrophobicContact CZ-CB 3.74Å; H387-Q390 PolarHBondContact O-NE2 3.5Å; N388-Q390 VanDerWaalsContact C-N 3.29Å; N388-Q390 PolarHBondContact O-N 2.82Å
391L98.1Very high97.9Very high89 Ų8936.7 Ų36.747%0.46618%0.176SC..Hα-helixtrans-81.2-35-178.5-58.3176.3000111.3L118 N388 Y389L118-L391 HydrophobicContact CD1-CB 4.12Å; L118-L391 HydrophobicContact CD2-CB 4.29Å; L118-L391 HydrophobicContact CD2-CD1 3.85Å; N388-L391 HydrophobicContact CB-CD1 4.33Å; N388-L391 WeakPolarHBondContact O-CB 3.41Å; N388-L391 PolarHBondContact O-N 3.02Å; Y389-L391 PolarHBondContact O-N 2.83Å; Y389-L391 VanDerWaalsContact O-N 3.1Å
392V98.4Very high98Very high0 Ų043.1 Ų43.10%020%0.204CC..Hα-helixtrans-88-22.3179.366.60000112.8V113 L118 E377 F381 M384 N388 Y389 P394 Q395 V396V113-V392 HydrophobicContact CG1-CB 4.5Å; V113-V392 HydrophobicContact CG1-CG2 3.73Å; L118-V392 HydrophobicContact CD1-CB 4.04Å; E377-V392 HydrophobicContact CB-CG1 4.05Å; E377-V392 HydrophobicContact CG-CG1 3.76Å; F381-V392 HydrophobicContact CD2-CG1 4.28Å; F381-V392 HydrophobicContact CD2-CG2 4.19Å; F381-V392 HydrophobicContact CE2-CG1 4.43Å; F381-V392 HydrophobicContact CE2-CG2 3.61Å; F381-V392 HydrophobicContact CZ-CG2 4.14Å; M384-V392 HydrophobicContact CE-CB 4.11Å; M384-V392 HydrophobicContact CE-CG1 3.91Å; M384-V392 HydrophobicContact CE-CG2 4.31Å; M384-V392 HydrophobicContact SD-CB 4.26Å; M384-V392 HydrophobicContact SD-CG1 3.61Å; N388-V392 PolarHBondContact O-N 2.83Å; Y389-V392 VanDerWaalsContact O-CG1 3.3Å; Y389-V392 WeakPolarHBondContact O-CG1 3.1Å; Y389-V392 PolarHBondContact O-N 2.87Å; V392-P394 VanDerWaalsContact C-CD 3.47Å; V392-Q395 WeakPolarHBondContact O-CB 3.44Å; V392-Q395 PolarHBondContact O-N 2.71Å; V392-V396 HydrophobicContact CG2-CG2 4.03Å; V392-V396 PolarHBondContact O-N 2.87Å
393A98.4Very high98Very high8 Ų845.2 Ų45.27%0.06621%0.213CC..Hα-helixtrans-51.4-42.5-177.900000114.9F374 E377 Y389 Q395 V396 R397F374-A393 HydrophobicContact CD1-CB 4.19Å; F374-A393 HydrophobicContact CE1-CB 4.2Å; E377-A393 HydrophobicContact CG-CB 3.98Å; E377-A393 VanDerWaalsContact OE1-CA 3.29Å; E377-A393 WeakPolarHBondContact OE1-CA 3.47Å; E377-A393 VanDerWaalsContact OE1-CB 3.31Å; E377-A393 WeakPolarHBondContact OE1-CB 3.37Å; Y389-A393 WeakPolarHBondContact O-CB 3.31Å; Y389-A393 PolarHBondContact O-N 3Å; A393-Q395 VanDerWaalsContact C-N 3.34Å; A393-Q395 PolarHBondContact O-N 2.87Å; A393-V396 PolarHBondContact O-N 2.99Å; A393-R397 PolarHBondContact O-N 2.87Å
394P98.4Very high98Very high80 Ų8046.1 Ų46.152%0.51924%0.238SC..Hα-helixtrans-61.3-38.9175.6-23.635.3000113.5V392 R397 E398V392-P394 VanDerWaalsContact C-CD 3.47Å; P394-R397 PolarHBondContact O-N 3.34Å; P394-E398 PolarHBondContact O-N 3.04Å
395Q98.5Very high97.9Very high55 Ų5547.2 Ų47.226%0.25724%0.243SC..Hα-helixtrans-72.6-34.7-179.9-57.3173.4-80.900111.5L109 V392 A393 E398 L399L109-Q395 HydrophobicContact CD1-CB 3.56Å; L109-Q395 HydrophobicContact CD1-CG 4.31Å; L109-Q395 HydrophobicContact CD2-CB 4.43Å; V392-Q395 WeakPolarHBondContact O-CB 3.44Å; V392-Q395 PolarHBondContact O-N 2.71Å; A393-Q395 VanDerWaalsContact C-N 3.34Å; A393-Q395 PolarHBondContact O-N 2.87Å; Q395-E398 PolarHBondContact O-N 3.34Å; Q395-L399 PolarHBondContact O-N 2.97Å
396V98.6Very high97.8Very high0 Ų051.5 Ų51.50%027%0.271CS..Hα-helixtrans-66.4-40.9172.1176.70000110.6L109 L353 I376 E377 L380 F381 V392 A393 E398 L399 C400 Y407L109-V396 HydrophobicContact CD2-CG2 4.15Å; L353-V396 HydrophobicContact CD2-CG1 4.46Å; I376-V396 HydrophobicContact CG2-CG1 3.75Å; E377-V396 HydrophobicContact CG-CG2 4.31Å; L380-V396 HydrophobicContact CD1-CG1 3.58Å; L380-V396 HydrophobicContact CD1-CG2 4.17Å; F381-V396 HydrophobicContact CE2-CG2 3.76Å; V392-V396 HydrophobicContact CG2-CG2 4.03Å; V392-V396 PolarHBondContact O-N 2.87Å; A393-V396 PolarHBondContact O-N 2.99Å; V396-E398 PolarHBondContact O-N 2.96Å; V396-L399 WeakPolarHBondContact O-CB 3.43Å; V396-L399 PolarHBondContact O-N 3.1Å; V396-C400 PolarHBondContact O-N 3.46Å; V396-C400 PolarHBondContact O-SG 3Å; V396-Y407 HydrophobicContact CB-CE2 4.3Å; V396-Y407 HydrophobicContact CG1-CD2 4.23Å; V396-Y407 HydrophobicContact CG1-CE2 3.9Å
397R98.5Very high97.8Very high110 Ų11053 Ų5342%0.41528%0.277SS..Hα-helixtrans-60.6-45.3175.3-175.2-179.6-62.9173.7-0.2111.8A393 P394 L399 C400 E401 Y407A393-R397 PolarHBondContact O-N 2.87Å; P394-R397 PolarHBondContact O-N 3.34Å; R397-L399 VanDerWaalsContact C-N 3.32Å; R397-L399 PolarHBondContact O-N 2.95Å; R397-C400 WeakPolarHBondContact O-CB 3.22Å; R397-C400 PolarHBondContact O-N 2.72Å; R397-E401 HydrophobicContact CG-CG 4.47Å; R397-E401 WeakPolarHBondContact CG-OE1 3.37Å; R397-E401 WeakPolarHBondContact O-CG 3.26Å; R397-E401 PolarHBondContact O-N 3.39Å; R397-Y407 HydrophobicContact CB-CD1 4.39Å; R397-Y407 HydrophobicContact CB-CD2 4.1Å; R397-Y407 HydrophobicContact CB-CE2 4.24Å; R397-Y407 HydrophobicContact CB-CG 4.18Å; R397-Y407 HydrophobicContact CG-CD1 4.2Å; R397-Y407 HydrophobicContact CG-CG 4.1Å
398E98.4Very high97.8Very high133 Ų13355.9 Ų55.962%0.62129%0.291SS*.Hα-helixtrans-60.1-41.7175.4-174.8-178.9-177.100111.8P394 Q395 V396 E401 K402P394-E398 PolarHBondContact O-N 3.04Å; Q395-E398 PolarHBondContact O-N 3.34Å; V396-E398 PolarHBondContact O-N 2.96Å; E398-E401 PolarHBondContact O-N 3.36Å; E398-K402 WeakPolarHBondContact O-CB 3.43Å; E398-K402 PolarHBondContact O-N 3.42Å
399L98.4Very high97.8Very high13 Ų1358.5 Ų58.57%0.06831%0.307CS..Hα-helixtrans-60-46173.6-179.971.1000111.5D105 F106 L109 Q395 V396 R397 K402 H403D105-L399 HydrophobicContact CB-CD1 3.48Å; D105-L399 VanDerWaalsContact CB-CD1 3.48Å; F106-L399 HydrophobicContact CB-CD2 4.04Å; F106-L399 HydrophobicContact CD2-CD2 3.87Å; F106-L399 HydrophobicContact CG-CD2 4.42Å; L109-L399 HydrophobicContact CD2-CD2 4.17Å; Q395-L399 PolarHBondContact O-N 2.97Å; V396-L399 WeakPolarHBondContact O-CB 3.43Å; V396-L399 PolarHBondContact O-N 3.1Å; R397-L399 VanDerWaalsContact C-N 3.32Å; R397-L399 PolarHBondContact O-N 2.95Å; L399-K402 PolarHBondContact O-N 3.08Å; L399-H403 PolarHBondContact O-CD2 2.87Å; L399-H403 VanDerWaalsContact O-CD2 3.31Å; L399-H403 PolarHBondContact O-N 3.42Å
400C98.3Very high97.7Very high0 Ų059.7 Ų59.70%031%0.312CS..Hα-helixtrans-61-46.3176.7-71.50000111.9L353 V396 R397 H403 G404 I405 Y407L353-C400 VanDerWaalsContact CD2-SG 3.56Å; V396-C400 PolarHBondContact O-N 3.46Å; V396-C400 PolarHBondContact O-SG 3Å; R397-C400 WeakPolarHBondContact O-CB 3.22Å; R397-C400 PolarHBondContact O-N 2.72Å; C400-H403 CarbonylContact O-C 3.57Å; C400-H403 PolarHBondContact O-N 2.96Å; C400-G404 PolarHBondContact O-N 3.4Å; C400-I405 CarbonylContact C-O 3.52Å; C400-I405 HydrophobicContact CB-CB 4.46Å; C400-I405 WeakPolarHBondContact CB-O 3.34Å; C400-I405 PolarHBondContact O-N 2.92Å; C400-Y407 HydrophobicContact CB-CD2 4.44Å
401E98.1Very high97.8Very high136 Ų13659 Ų5964%0.63631%0.313SS*.Hα-helixtrans-60.5-45177.5-73.8172.1-170.800111.7R397 E398 H403 G404R397-E401 HydrophobicContact CG-CG 4.47Å; R397-E401 WeakPolarHBondContact CG-OE1 3.37Å; R397-E401 WeakPolarHBondContact O-CG 3.26Å; R397-E401 PolarHBondContact O-N 3.39Å; E398-E401 PolarHBondContact O-N 3.36Å; E401-H403 VanDerWaalsContact C-N 3.26Å; E401-H403 PolarHBondContact O-N 3.49Å; E401-G404 PolarHBondContact O-N 3.44Å
402K98.2Very high97.8Very high138 Ų13856.1 Ų56.160%0.630%0.298SS*.Hα-helixtrans-57-38.3177.3-177.5-178.1-179-174.30112.7D105 E398 L399D105-K402 IonicContact OD1-NZ 2.91Å; D105-K402 PolarHBondContact OD1-NZ 3.5Å; D105-K402 WeakPolarHBondContact OD2-CD 3.18Å; D105-K402 WeakPolarHBondContact OD2-CE 3.25Å; D105-K402 IonicContact OD2-NZ 2.69Å; D105-K402 PolarHBondContact OD2-NZ 3.5Å; E398-K402 WeakPolarHBondContact O-CB 3.43Å; E398-K402 PolarHBondContact O-N 3.42Å; L399-K402 PolarHBondContact O-N 3.08Å
403H97.4Very high97.7Very high44 Ų4465.2 Ų65.220%0.20433%0.332CS..THydrogen-bonded Turntrans-99.16.1-176.9-71-75.1000113.8I102 D105 L399 C400 E401 I405I102-H403 HydrophobicContact CD1-CB 4.17Å; I102-H403 PolarHBondContact N-CE1 3.44Å; D105-H403 IonicContact OD2-CD2 3.91Å; D105-H403 IonicContact OD2-CE1 3.36Å; D105-H403 PolarHBondContact OD2-CE1 2.99Å; D105-H403 IonicContact OD2-NE2 2.72Å; D105-H403 PolarHBondContact OD2-NE2 2.86Å; L399-H403 PolarHBondContact O-CD2 2.87Å; L399-H403 VanDerWaalsContact O-CD2 3.31Å; L399-H403 PolarHBondContact O-N 3.42Å; C400-H403 CarbonylContact O-C 3.57Å; C400-H403 PolarHBondContact O-N 2.96Å; E401-H403 VanDerWaalsContact C-N 3.26Å; E401-H403 PolarHBondContact O-N 3.49Å; H403-I405 HydrophobicContact CB-CD1 4.34Å; H403-I405 HydrophobicContact CB-CG1 4.2Å; H403-I405 PolarHBondContact O-N 3.13Å
404G95.9Very high97.7Very high68 Ų6870.2 Ų70.270%0.70135%0.349SS*.THydrogen-bonded Turntrans63.326.4-179.100000113.9C400 E401C400-G404 PolarHBondContact O-N 3.4Å; E401-G404 PolarHBondContact O-N 3.44Å
405I95.6Very high97.6Very high23 Ų2366.4 Ų66.412%0.11832%0.324CS..  trans-91.7130.6176.9-59.1-177.5000108.8I102 T350 L353 C400 H403 Y407I102-I405 HydrophobicContact CD1-CD1 3.25Å; T350-I405 HydrophobicContact CG2-CD1 4.25Å; L353-I405 HydrophobicContact CB-CG2 4.07Å; L353-I405 HydrophobicContact CD1-CD1 3.99Å; L353-I405 HydrophobicContact CD1-CG2 3.98Å; C400-I405 CarbonylContact C-O 3.52Å; C400-I405 HydrophobicContact CB-CB 4.46Å; C400-I405 WeakPolarHBondContact CB-O 3.34Å; C400-I405 PolarHBondContact O-N 2.92Å; H403-I405 HydrophobicContact CB-CD1 4.34Å; H403-I405 HydrophobicContact CB-CG1 4.2Å; H403-I405 PolarHBondContact O-N 3.13Å; I405-Y407 PolarHBondContact O-N 3.47Å
406P96Very high97.5Very high89 Ų8965.6 Ų65.658%0.57832%0.321SS*.  trans-60.6123.1175.4-2434.3000112.1E408P406-E408 HydrophobicContact CB-CG 4.4Å
407Y97.8Very high97.4Very high36 Ų3667.5 Ų67.514%0.14133%0.333CS..  trans-93.991.9166.4-174.1-84.5000108.5N358 I376 E377 V396 R397 C400 I405 T409N358-Y407 PolarHBondContact ND2-OH 2.89Å; I376-Y407 HydrophobicContact CB-CE2 4.47Å; I376-Y407 HydrophobicContact CD1-CD2 3.97Å; I376-Y407 HydrophobicContact CD1-CE2 3.93Å; I376-Y407 HydrophobicContact CD1-CG 4.32Å; I376-Y407 HydrophobicContact CG2-CD2 4.39Å; I376-Y407 HydrophobicContact CG2-CE2 3.93Å; E377-Y407 WeakPolarHBondContact OE1-CE2 3.26Å; E377-Y407 PolarHBondContact OE1-OH 3.42Å; V396-Y407 HydrophobicContact CB-CE2 4.3Å; V396-Y407 HydrophobicContact CG1-CD2 4.23Å; V396-Y407 HydrophobicContact CG1-CE2 3.9Å; R397-Y407 HydrophobicContact CB-CD1 4.39Å; R397-Y407 HydrophobicContact CB-CD2 4.1Å; R397-Y407 HydrophobicContact CB-CE2 4.24Å; R397-Y407 HydrophobicContact CB-CG 4.18Å; R397-Y407 HydrophobicContact CG-CD1 4.2Å; R397-Y407 HydrophobicContact CG-CG 4.1Å; C400-Y407 HydrophobicContact CB-CD2 4.44Å; I405-Y407 PolarHBondContact O-N 3.47Å; Y407-T409 WeakPolarHBondContact CE1-OG1 3.41Å
408E96.4Very high97.4Very high74 Ų7463 Ų6335%0.34632%0.316SS..  trans-80125.7-175-71.8-165.9-163.400112.2M338 C357 N358 P406 K410M338-E408 HydrophobicContact CE-CG 4.48Å; M338-E408 WeakPolarHBondContact CE-OE2 3.32Å; C357-E408 HydrophobicContact CB-CB 3.57Å; N358-E408 PolarHBondContact N-O 3.03Å; P406-E408 HydrophobicContact CB-CG 4.4Å; E408-K410 WeakPolarHBondContact OE2-CE 3.26Å; E408-K410 IonicContact OE2-NZ 3.74Å; E408-K410 PolarHBondContact OE2-NZ 3.47Å
409T97.9Very high97.3Very high59 Ų5956.6 Ų56.636%0.36229%0.287SS..EExtended strand (participates in β ladder)trans-130.2132.7170.1-57.50000109.9N358 E360 Y407N358-T409 HydrophobicContact CB-CG2 4.36Å; N358-T409 CarbonylContact O-C 3.33Å; N358-T409 WeakPolarHBondContact O-CA 3.27Å; E360-T409 HydrophobicContact CG-CG2 4.09Å; Y407-T409 WeakPolarHBondContact CE1-OG1 3.41Å
410K97.6Very high97.2Very high29 Ų2958.4 Ų58.413%0.12630%0.298CS..EExtended strand (participates in β ladder)trans-125.3154-174.9-59.4170.8-174.1160.30110.5M338 C357 N358 I359 E360 E408 R414M338-K410 PolarHBondContact SD-NZ 3.06Å; C357-K410 PolarHBondContact SG-NZ 3.29Å; C357-K410 VanDerWaalsContact SG-NZ 3.4Å; N358-K410 PolarHBondContact O-N 3.38Å; I359-K410 CarbonylContact C-O 3.57Å; I359-K410 WeakPolarHBondContact CA-O 3.45Å; I359-K410 HydrophobicContact CD1-CB 4.01Å; E360-K410 PolarHBondContact N-O 2.97Å; E408-K410 WeakPolarHBondContact OE2-CE 3.26Å; E408-K410 IonicContact OE2-NZ 3.74Å; E408-K410 PolarHBondContact OE2-NZ 3.47Å; K410-R414 HydrophobicContact CB-CB 4.39Å; K410-R414 HydrophobicContact CB-CG 4.35Å
411T98.3Very high97.2Very high56 Ų5663.3 Ų63.334%0.34432%0.317SS..  trans-66.4155.4166.171.80000109.3E360 W413 R414 G415E360-T411 WeakPolarHBondContact OE1-CG2 3.4Å; E360-T411 WeakPolarHBondContact OE2-CG2 3.22Å; T411-W413 VanDerWaalsContact C-N 3.28Å; T411-W413 PolarHBondContact O-N 2.85Å; T411-R414 PolarHBondContact O-N 3.02Å; T411-R414 VanDerWaalsContact O-N 3.1Å; T411-R414 VanDerWaalsContact OG1-CB 3.22Å; T411-R414 WeakPolarHBondContact OG1-CB 3.27Å; T411-R414 PolarHBondContact OG1-N 3.27Å; T411-R414 VanDerWaalsContact OG1-N 3.09Å; T411-G415 PolarHBondContact O-N 3.11Å
412L97.7Very high97.2Very high28 Ų2858.3 Ų58.315%0.14730%0.297CS..Hα-helixtrans-55.6-46178.7-178.666.7000111.6M333 I359 F364 F368 R414 G415 M416M333-L412 HydrophobicContact CE-CD1 4.08Å; M333-L412 HydrophobicContact SD-CD1 3.61Å; I359-L412 HydrophobicContact CG2-CB 3.97Å; I359-L412 HydrophobicContact CG2-CD1 4.14Å; F364-L412 HydrophobicContact CD1-CD2 4.43Å; F364-L412 HydrophobicContact CE1-CD2 3.87Å; F368-L412 HydrophobicContact CD1-CD2 4.41Å; L412-R414 VanDerWaalsContact C-N 3.35Å; L412-R414 PolarHBondContact O-N 2.88Å; L412-G415 PolarHBondContact O-N 2.85Å; L412-M416 HydrophobicContact CD1-CE 3.89Å; L412-M416 HydrophobicContact CD2-CE 4.25Å; L412-M416 HydrophobicContact CG-CE 3.95Å; L412-M416 WeakPolarHBondContact O-CG 3.28Å; L412-M416 PolarHBondContact O-N 3.33Å; L412-M416 VanDerWaalsContact O-N 3.11Å
413W97.1Very high97.1Very high190 Ų19051.8 Ų51.872%0.7227%0.268SS*.Hα-helixtrans-60.7-44.1177.2178.6-113.3000112T411 G415 M416 V417T411-W413 VanDerWaalsContact C-N 3.28Å; T411-W413 PolarHBondContact O-N 2.85Å; W413-G415 PolarHBondContact O-N 3.01Å; W413-M416 PolarHBondContact O-N 3.47Å; W413-V417 HydrophobicContact CD2-CG2 4.02Å; W413-V417 HydrophobicContact CG-CG2 4.41Å; W413-V417 HydrophobicContact CH2-CG2 4.43Å; W413-V417 HydrophobicContact CZ2-CG2 3.78Å; W413-V417 WeakPolarHBondContact O-CG2 3.4Å; W413-V417 PolarHBondContact O-N 3.4Å
414R98Very high97.2Very high114 Ų11454 Ų5443%0.4328%0.278SS..Hα-helixtrans-62.8-43.6178.8-179.259-176.8-153.7-3.5111.5K410 T411 L412 M416 V417 D418K410-R414 HydrophobicContact CB-CB 4.39Å; K410-R414 HydrophobicContact CB-CG 4.35Å; T411-R414 PolarHBondContact O-N 3.02Å; T411-R414 VanDerWaalsContact O-N 3.1Å; T411-R414 VanDerWaalsContact OG1-CB 3.22Å; T411-R414 WeakPolarHBondContact OG1-CB 3.27Å; T411-R414 PolarHBondContact OG1-N 3.27Å; T411-R414 VanDerWaalsContact OG1-N 3.09Å; L412-R414 VanDerWaalsContact C-N 3.35Å; L412-R414 PolarHBondContact O-N 2.88Å; R414-M416 VanDerWaalsContact C-N 3.35Å; R414-M416 PolarHBondContact O-N 3.43Å; R414-V417 PolarHBondContact O-N 2.84Å; R414-D418 WeakPolarHBondContact CD-OD1 3.47Å; R414-D418 IonicContact CZ-OD1 3.24Å; R414-D418 VanDerWaalsContact CZ-OD1 3.24Å; R414-D418 IonicContact CZ-OD2 3.93Å; R414-D418 VanDerWaalsContact NE-CG 3.32Å; R414-D418 IonicContact NE-OD1 2.85Å; R414-D418 PolarHBondContact NE-OD1 2.9Å; R414-D418 IonicContact NE-OD2 3.03Å; R414-D418 PolarHBondContact NE-OD2 3.27Å; R414-D418 IonicContact NH2-OD1 3.5Å; R414-D418 PolarHBondContact NH2-OD1 3.41Å; R414-D418 WeakPolarHBondContact O-CB 3.19Å; R414-D418 PolarHBondContact O-N 3.3Å
415G97.1Very high97.3Very high0 Ų053.8 Ų53.80%026%0.263CS..Hα-helixtrans-56.5-46.3175.700000112.6T411 L412 W413 D418 V419T411-G415 PolarHBondContact O-N 3.11Å; L412-G415 PolarHBondContact O-N 2.85Å; W413-G415 PolarHBondContact O-N 3.01Å; G415-D418 PolarHBondContact O-N 3.26Å; G415-V419 PolarHBondContact O-N 3.21Å
416M95.8Very high97.4Very high37 Ų3753 Ų5318%0.18226%0.259CS..Hα-helixtrans-64.7-45.1176.2-67178178.300112.4W329 F368 L412 W413 R414 D418 V419W329-M416 HydrophobicContact CB-CE 4.31Å; W329-M416 HydrophobicContact CE3-CB 3.97Å; W329-M416 HydrophobicContact CE3-CG 4.02Å; W329-M416 HydrophobicContact CZ3-CB 4.09Å; W329-M416 WeakPolarHBondContact CZ3-O 3.42Å; F368-M416 HydrophobicContact CE1-CE 4.02Å; F368-M416 HydrophobicContact CZ-CE 4.4Å; L412-M416 HydrophobicContact CD1-CE 3.89Å; L412-M416 HydrophobicContact CD2-CE 4.25Å; L412-M416 HydrophobicContact CG-CE 3.95Å; L412-M416 WeakPolarHBondContact O-CG 3.28Å; L412-M416 PolarHBondContact O-N 3.33Å; L412-M416 VanDerWaalsContact O-N 3.11Å; W413-M416 PolarHBondContact O-N 3.47Å; R414-M416 VanDerWaalsContact C-N 3.35Å; R414-M416 PolarHBondContact O-N 3.43Å; M416-D418 VanDerWaalsContact C-N 3.25Å; M416-D418 PolarHBondContact O-N 3.23Å; M416-V419 WeakPolarHBondContact O-CB 3.49Å; M416-V419 PolarHBondContact O-N 2.84Å
417V97.4Very high97.5Very high41 Ų4148.7 Ų48.725%0.24823%0.231CC..Hα-helixtrans-61.5-37.1177.41690000111.5W413 R414 V419 V420 R421W413-V417 HydrophobicContact CD2-CG2 4.02Å; W413-V417 HydrophobicContact CG-CG2 4.41Å; W413-V417 HydrophobicContact CH2-CG2 4.43Å; W413-V417 HydrophobicContact CZ2-CG2 3.78Å; W413-V417 WeakPolarHBondContact O-CG2 3.4Å; W413-V417 PolarHBondContact O-N 3.4Å; R414-V417 PolarHBondContact O-N 2.84Å; V417-V419 VanDerWaalsContact C-N 3.31Å; V417-V419 PolarHBondContact O-N 3.39Å; V417-V420 PolarHBondContact O-N 3.14Å; V417-R421 PolarHBondContact O-N 2.93Å
418D97.7Very high97.5Very high14 Ų1451.8 Ų51.88%0.07525%0.247CC..Hα-helixtrans-67.9-30.3-179.2-72.4-12.1000112.1P337 R414 G415 M416 V420 R421 S422P337-D418 HydrophobicContact CB-CB 3.9Å; P337-D418 HydrophobicContact CG-CB 3.76Å; R414-D418 WeakPolarHBondContact CD-OD1 3.47Å; R414-D418 IonicContact CZ-OD1 3.24Å; R414-D418 VanDerWaalsContact CZ-OD1 3.24Å; R414-D418 IonicContact CZ-OD2 3.93Å; R414-D418 VanDerWaalsContact NE-CG 3.32Å; R414-D418 IonicContact NE-OD1 2.85Å; R414-D418 PolarHBondContact NE-OD1 2.9Å; R414-D418 IonicContact NE-OD2 3.03Å; R414-D418 PolarHBondContact NE-OD2 3.27Å; R414-D418 IonicContact NH2-OD1 3.5Å; R414-D418 PolarHBondContact NH2-OD1 3.41Å; R414-D418 WeakPolarHBondContact O-CB 3.19Å; R414-D418 PolarHBondContact O-N 3.3Å; G415-D418 PolarHBondContact O-N 3.26Å; M416-D418 VanDerWaalsContact C-N 3.25Å; M416-D418 PolarHBondContact O-N 3.23Å; D418-V420 PolarHBondContact O-N 2.61Å; D418-R421 PolarHBondContact O-N 3.47Å; D418-R421 IonicContact OD1-CZ 3.81Å; D418-R421 IonicContact OD1-NH1 2.83Å; D418-R421 PolarHBondContact OD1-NH1 3Å; D418-R421 IonicContact OD1-NH2 3.37Å; D418-S422 WeakPolarHBondContact O-CB 3.29Å; D418-S422 PolarHBondContact O-N 3.43Å; D418-S422 PolarHBondContact O-OG 3.01Å; D418-S422 VanDerWaalsContact O-OG 3.11Å
419V96.6Very high97.6Very high0 Ų050.9 Ų50.90%024%0.244CC..Hα-helixtrans-57.2-50.9170.2173.40000110.6F259 W329 Q332 M333 L336 P337 G415 M416 V417 R421 S422 L423F259-V419 HydrophobicContact CE1-CG1 3.91Å; F259-V419 HydrophobicContact CZ-CG1 3.9Å; W329-V419 HydrophobicContact CZ3-CB 4.09Å; W329-V419 HydrophobicContact CZ3-CG1 4.22Å; Q332-V419 HydrophobicContact CB-CG2 4.18Å; M333-V419 HydrophobicContact CB-CG2 4.36Å; L336-V419 HydrophobicContact CD2-CG1 4.2Å; P337-V419 HydrophobicContact CG-CG2 4.28Å; G415-V419 PolarHBondContact O-N 3.21Å; M416-V419 WeakPolarHBondContact O-CB 3.49Å; M416-V419 PolarHBondContact O-N 2.84Å; V417-V419 VanDerWaalsContact C-N 3.31Å; V417-V419 PolarHBondContact O-N 3.39Å; V419-R421 PolarHBondContact O-N 3.32Å; V419-S422 PolarHBondContact O-N 3.05Å; V419-L423 HydrophobicContact CG1-CD1 4.26Å; V419-L423 WeakPolarHBondContact O-CG 3.38Å; V419-L423 PolarHBondContact O-N 3.43Å
420V97.1Very high97.6Very high50 Ų5048.2 Ų48.230%0.30323%0.228SC..Hα-helixtrans-66.3-40.2-179.1-176.70000110.9H256 W329 V417 D418 L423 K424H256-V420 HydrophobicContact CB-CG1 4.08Å; W329-V420 HydrophobicContact CH2-CG2 3.69Å; W329-V420 HydrophobicContact CZ3-CG2 4.12Å; V417-V420 PolarHBondContact O-N 3.14Å; D418-V420 PolarHBondContact O-N 2.61Å; V420-L423 PolarHBondContact O-N 3.21Å; V420-K424 PolarHBondContact O-N 3.49Å
421R97.9Very high97.6Very high103 Ų10349.6 Ų49.639%0.38924%0.236SC..Hα-helixtrans-64.7-45.3178.1-166.5-178.5-60.1116.36.3111.4V417 D418 V419 L423 K424 T425V417-R421 PolarHBondContact O-N 2.93Å; D418-R421 PolarHBondContact O-N 3.47Å; D418-R421 IonicContact OD1-CZ 3.81Å; D418-R421 IonicContact OD1-NH1 2.83Å; D418-R421 PolarHBondContact OD1-NH1 3Å; D418-R421 IonicContact OD1-NH2 3.37Å; V419-R421 PolarHBondContact O-N 3.32Å; R421-L423 VanDerWaalsContact C-N 3.34Å; R421-L423 PolarHBondContact O-N 3.2Å; R421-K424 WeakPolarHBondContact O-CB 3.31Å; R421-K424 PolarHBondContact O-N 3.44Å; R421-K424 VanDerWaalsContact O-N 3.12Å; R421-T425 PolarHBondContact O-N 3.35Å; R421-T425 PolarHBondContact O-OG1 3.47Å
422S97.3Very high97.6Very high31 Ų3150.5 Ų50.522%0.21724%0.239CC..Hα-helixtrans-61.2-43.4177.8-70.20000111.7P337 D418 V419 K424 T425 S426P337-S422 WeakPolarHBondContact CA-OG 3.38Å; D418-S422 WeakPolarHBondContact O-CB 3.29Å; D418-S422 PolarHBondContact O-N 3.43Å; D418-S422 PolarHBondContact O-OG 3.01Å; D418-S422 VanDerWaalsContact O-OG 3.11Å; V419-S422 PolarHBondContact O-N 3.05Å; S422-K424 VanDerWaalsContact C-N 3.32Å; S422-K424 PolarHBondContact O-N 3.41Å; S422-T425 PolarHBondContact O-N 2.86Å; S422-S426 WeakPolarHBondContact O-CB 3.42Å; S422-S426 PolarHBondContact O-N 2.94Å; S422-S426 PolarHBondContact O-OG 3.11Å
423L97.4Very high97.7Very high1 Ų149.1 Ų49.11%0.00523%0.232CC..Hα-helixtrans-60.1-40.7173.3-72.9173000112.4F232 L234 Q255 H256 F259 L336 V419 V420 R421 G427F232-L423 HydrophobicContact CB-CD2 4.5Å; F232-L423 HydrophobicContact CD1-CD2 4.08Å; F232-L423 HydrophobicContact CG-CD2 4.49Å; L234-L423 HydrophobicContact CD2-CD2 3.63Å; Q255-L423 HydrophobicContact CG-CB 4.15Å; Q255-L423 HydrophobicContact CG-CD2 4.35Å; Q255-L423 VanDerWaalsContact CG-O 3.27Å; Q255-L423 WeakPolarHBondContact CG-O 3.29Å; Q255-L423 PolarHBondContact NE2-O 3.39Å; H256-L423 HydrophobicContact CB-CB 4.11Å; F259-L423 HydrophobicContact CB-CD1 3.7Å; F259-L423 HydrophobicContact CD1-CD1 3.9Å; F259-L423 HydrophobicContact CD2-CD1 3.46Å; F259-L423 VanDerWaalsContact CD2-CD1 3.46Å; F259-L423 HydrophobicContact CE1-CD1 4.39Å; F259-L423 HydrophobicContact CE2-CD1 4Å; F259-L423 HydrophobicContact CG-CD1 3.39Å; F259-L423 HydrophobicContact CZ-CD1 4.43Å; L336-L423 HydrophobicContact CD1-CD2 4.43Å; L336-L423 HydrophobicContact CD2-CD2 4.35Å; L336-L423 HydrophobicContact CD2-CG 4.07Å; V419-L423 HydrophobicContact CG1-CD1 4.26Å; V419-L423 WeakPolarHBondContact O-CG 3.38Å; V419-L423 PolarHBondContact O-N 3.43Å; V420-L423 PolarHBondContact O-N 3.21Å; R421-L423 VanDerWaalsContact C-N 3.34Å; R421-L423 PolarHBondContact O-N 3.2Å; L423-G427 PolarHBondContact O-N 3.34Å
424K98.1Very high97.7Very high92 Ų9243.2 Ų43.240%0.421%0.21SC..Hα-helixtrans-63.5-51.1175.8-179.3176.3170.2-179.70111H256 V420 R421 S422 S426 G427 E428H256-K424 HydrophobicContact CB-CB 3.93Å; V420-K424 PolarHBondContact O-N 3.49Å; R421-K424 WeakPolarHBondContact O-CB 3.31Å; R421-K424 PolarHBondContact O-N 3.44Å; R421-K424 VanDerWaalsContact O-N 3.12Å; S422-K424 VanDerWaalsContact C-N 3.32Å; S422-K424 PolarHBondContact O-N 3.41Å; K424-S426 PolarHBondContact O-N 3.46Å; K424-G427 WeakPolarHBondContact O-CA 3.27Å; K424-G427 PolarHBondContact O-N 2.85Å; K424-G427 VanDerWaalsContact O-N 3.08Å; K424-E428 WeakPolarHBondContact CE-OE1 3.41Å; K424-E428 IonicContact NZ-OE1 3.52Å; K424-E428 WeakPolarHBondContact O-CG 3.44Å; K424-E428 PolarHBondContact O-N 2.9Å
425T98.2Very high97.7Very high63 Ų6342.7 Ų42.739%0.38722%0.215SC..Hα-helixtrans-60-45179.8-62.40000112R421 S422 G427 E428 L429R421-T425 PolarHBondContact O-N 3.35Å; R421-T425 PolarHBondContact O-OG1 3.47Å; S422-T425 PolarHBondContact O-N 2.86Å; T425-G427 VanDerWaalsContact C-N 3.29Å; T425-G427 PolarHBondContact O-N 3.24Å; T425-E428 PolarHBondContact O-N 3.12Å; T425-L429 HydrophobicContact CG2-CD1 4.34Å; T425-L429 WeakPolarHBondContact O-CG 3.2Å; T425-L429 PolarHBondContact O-N 3.1Å
426S97.9Very high97.6Very high5 Ų549.4 Ų49.44%0.03525%0.246CC..Hα-helixtrans-60.8-38.9174.6-65.20000111.9V233 G235 P239 S422 K424 L429 W430V233-S426 WeakPolarHBondContact O-CB 3.38Å; G235-S426 PolarHBondContact N-OG 3.37Å; G235-S426 PolarHBondContact O-OG 3.08Å; P239-S426 WeakPolarHBondContact CB-O 3.35Å; S422-S426 WeakPolarHBondContact O-CB 3.42Å; S422-S426 PolarHBondContact O-N 2.94Å; S422-S426 PolarHBondContact O-OG 3.11Å; K424-S426 PolarHBondContact O-N 3.46Å; S426-L429 PolarHBondContact O-N 3.28Å; S426-W430 PolarHBondContact O-N 2.9Å
427G97.9Very high97.3Very high0 Ų054.1 Ų54.10%027%0.265CS..Hα-helixtrans-66-38.1176.300000113.4Y252 L423 K424 T425 L431Y252-G427 VanDerWaalsContact O-CA 3.24Å; Y252-G427 WeakPolarHBondContact O-CA 3.27Å; L423-G427 PolarHBondContact O-N 3.34Å; K424-G427 WeakPolarHBondContact O-CA 3.27Å; K424-G427 PolarHBondContact O-N 2.85Å; K424-G427 VanDerWaalsContact O-N 3.08Å; T425-G427 VanDerWaalsContact C-N 3.29Å; T425-G427 PolarHBondContact O-N 3.24Å; G427-L431 PolarHBondContact O-N 2.96Å
428E98.3Very high97.3Very high100 Ų10054.8 Ų54.847%0.46727%0.266SS..Hα-helixtrans-67.4-44.1175.1-71.7169.1168.100111.5K424 T425 W430 L431 D432K424-E428 WeakPolarHBondContact CE-OE1 3.41Å; K424-E428 IonicContact NZ-OE1 3.52Å; K424-E428 WeakPolarHBondContact O-CG 3.44Å; K424-E428 PolarHBondContact O-N 2.9Å; T425-E428 PolarHBondContact O-N 3.12Å; E428-W430 VanDerWaalsContact C-N 3.32Å; E428-W430 PolarHBondContact O-N 3.16Å; E428-L431 PolarHBondContact O-N 3.44Å; E428-L431 VanDerWaalsContact O-N 3.15Å; E428-D432 PolarHBondContact O-N 3.36Å
429L98.2Very high97.3Very high56 Ų5656.9 Ų56.929%0.29328%0.276SS..Hα-helixtrans-60.4-41.4174.8-73.5174.3000112.2P239 V240 T425 S426 A433P239-L429 HydrophobicContact CB-CB 4.25Å; V240-L429 HydrophobicContact CG2-CB 4.25Å; T425-L429 HydrophobicContact CG2-CD1 4.34Å; T425-L429 WeakPolarHBondContact O-CG 3.2Å; T425-L429 PolarHBondContact O-N 3.1Å; S426-L429 PolarHBondContact O-N 3.28Å; L429-A433 WeakPolarHBondContact O-CB 3.27Å; L429-A433 PolarHBondContact O-N 2.91Å; L429-A433 VanDerWaalsContact O-N 3.12Å
430W98.3Very high97.4Very high3 Ų360.1 Ų60.11%0.01129%0.292CS..Hα-helixtrans-61.4-46173.5173.986.2000111.3V233 P239 I247 K248 Y252 S426 E428 A433 Y434V233-W430 HydrophobicContact CG2-CB 4.14Å; P239-W430 HydrophobicContact CB-CB 3.79Å; P239-W430 WeakPolarHBondContact O-CA 3.4Å; I247-W430 WeakPolarHBondContact O-CZ2 3.16Å; I247-W430 PolarHBondContact O-NE1 2.92Å; K248-W430 HydrophobicContact CB-CH2 4.39Å; K248-W430 HydrophobicContact CB-CZ2 3.9Å; K248-W430 HydrophobicContact CD-CH2 4.09Å; K248-W430 HydrophobicContact CD-CZ2 4.42Å; K248-W430 HydrophobicContact CG-CH2 3.85Å; K248-W430 HydrophobicContact CG-CZ2 3.85Å; Y252-W430 AromaticContact CD2-CD1 3.82Å; Y252-W430 AromaticContact CD2-CD2 3.77Å; Y252-W430 HydrophobicContact CD2-CD2 3.77Å; Y252-W430 AromaticContact CD2-CE2 3.52Å; Y252-W430 HydrophobicContact CD2-CE3 4.41Å; Y252-W430 AromaticContact CD2-CG 3.98Å; Y252-W430 HydrophobicContact CD2-CG 3.98Å; Y252-W430 AromaticContact CD2-CZ2 3.97Å; Y252-W430 HydrophobicContact CD2-CZ2 3.97Å; Y252-W430 AromaticContact CD2-NE1 3.52Å; Y252-W430 AromaticContact CE2-NE1 4Å; Y252-W430 HydrophobicContact CG-CD2 4.3Å; Y252-W430 HydrophobicContact CG-CG 4.45Å; S426-W430 PolarHBondContact O-N 2.9Å; E428-W430 VanDerWaalsContact C-N 3.32Å; E428-W430 PolarHBondContact O-N 3.16Å; W430-A433 PolarHBondContact O-N 3.18Å; W430-Y434 AromaticContact CE2-CD2 3.88Å; W430-Y434 HydrophobicContact CH2-CD1 4.36Å; W430-Y434 AromaticContact CH2-CD2 3.99Å; W430-Y434 HydrophobicContact CH2-CD2 3.99Å; W430-Y434 HydrophobicContact CH2-CE2 4.36Å; W430-Y434 AromaticContact CH2-CG 3.98Å; W430-Y434 HydrophobicContact CH2-CG 3.98Å; W430-Y434 AromaticContact CZ2-CD2 3.38Å; W430-Y434 HydrophobicContact CZ2-CD2 3.38Å; W430-Y434 AromaticContact CZ2-CE2 3.85Å; W430-Y434 HydrophobicContact CZ2-CE2 3.85Å; W430-Y434 AromaticContact CZ2-CG 3.79Å; W430-Y434 HydrophobicContact CZ2-CG 3.79Å; W430-Y434 WeakPolarHBondContact O-CB 3.17Å; W430-Y434 PolarHBondContact O-N 2.86Å
431L98.3Very high97.4Very high58 Ų5860.7 Ų60.730%0.30429%0.291SS..Hα-helixtrans-64-45.3-177.9-175.963.1000111.8N253 G427 E428 Y434 L435N253-L431 HydrophobicContact CB-CB 4.12Å; N253-L431 HydrophobicContact CB-CD1 4.49Å; N253-L431 HydrophobicContact CB-CD2 3.99Å; N253-L431 HydrophobicContact CB-CG 4.44Å; G427-L431 PolarHBondContact O-N 2.96Å; E428-L431 PolarHBondContact O-N 3.44Å; E428-L431 VanDerWaalsContact O-N 3.15Å; L431-Y434 PolarHBondContact O-N 2.93Å; L431-L435 HydrophobicContact CD1-CD1 3.8Å; L431-L435 HydrophobicContact CD1-CG 4.03Å; L431-L435 HydrophobicContact CG-CD1 3.9Å; L431-L435 HydrophobicContact CG-CG 4.41Å; L431-L435 WeakPolarHBondContact O-CB 3.48Å; L431-L435 WeakPolarHBondContact O-CG 3.44Å; L431-L435 PolarHBondContact O-N 3.48Å
432D98.3Very high97.4Very high74 Ų7458.1 Ų58.140%0.39629%0.285SS..Hα-helixtrans-56.4-52.7175.9176.270.5000111E428 Y434 L435 H436E428-D432 PolarHBondContact O-N 3.36Å; D432-Y434 VanDerWaalsContact C-N 3.3Å; D432-Y434 PolarHBondContact O-N 2.99Å; D432-L435 PolarHBondContact O-N 3.35Å; D432-H436 WeakPolarHBondContact O-CB 3.16Å; D432-H436 PolarHBondContact O-N 2.65Å; D432-H436 IonicContact OD1-CD2 3.54Å
433A98Very high97.4Very high0 Ų059.9 Ų59.90%029%0.289CS..Hα-helixtrans-64-34.5177.200000112.5V240 M244 L429 W430 K437V240-A433 HydrophobicContact CB-CB 4.43Å; V240-A433 HydrophobicContact CG1-CB 4.14Å; M244-A433 HydrophobicContact CG-CB 4.46Å; L429-A433 WeakPolarHBondContact O-CB 3.27Å; L429-A433 PolarHBondContact O-N 2.91Å; L429-A433 VanDerWaalsContact O-N 3.12Å; W430-A433 PolarHBondContact O-N 3.18Å; A433-K437 HydrophobicContact CB-CD 4.27Å; A433-K437 PolarHBondContact O-N 3.5Å
434Y97.8Very high97.3Very high66 Ų6664.1 Ų64.126%0.25931%0.31SS..Hα-helixtrans-69.2-31.7177.8-171.8-87.3000112.7G243 K246 K248 W430 L431 D432G243-Y434 WeakPolarHBondContact O-CA 3.21Å; K246-Y434 HydrophobicContact CB-CD2 4.41Å; K246-Y434 HydrophobicContact CB-CE2 3.88Å; K246-Y434 HydrophobicContact CD-CD2 4.03Å; K246-Y434 HydrophobicContact CD-CE2 4.06Å; K246-Y434 HydrophobicContact CD-CG 4.43Å; K246-Y434 PolarHBondContact NZ-O 2.87Å; K248-Y434 HydrophobicContact CB-CE2 4.26Å; W430-Y434 AromaticContact CE2-CD2 3.88Å; W430-Y434 HydrophobicContact CH2-CD1 4.36Å; W430-Y434 AromaticContact CH2-CD2 3.99Å; W430-Y434 HydrophobicContact CH2-CD2 3.99Å; W430-Y434 HydrophobicContact CH2-CE2 4.36Å; W430-Y434 AromaticContact CH2-CG 3.98Å; W430-Y434 HydrophobicContact CH2-CG 3.98Å; W430-Y434 AromaticContact CZ2-CD2 3.38Å; W430-Y434 HydrophobicContact CZ2-CD2 3.38Å; W430-Y434 AromaticContact CZ2-CE2 3.85Å; W430-Y434 HydrophobicContact CZ2-CE2 3.85Å; W430-Y434 AromaticContact CZ2-CG 3.79Å; W430-Y434 HydrophobicContact CZ2-CG 3.79Å; W430-Y434 WeakPolarHBondContact O-CB 3.17Å; W430-Y434 PolarHBondContact O-N 2.86Å; L431-Y434 PolarHBondContact O-N 2.93Å; D432-Y434 VanDerWaalsContact C-N 3.3Å; D432-Y434 PolarHBondContact O-N 2.99Å
435L97.3Very high97.3Very high103 Ų10361.9 Ų61.954%0.53930%0.303SS..Hα-helixtrans-93.1-32.7-178.3-66.1177.4000113.4L431 D432L431-L435 HydrophobicContact CD1-CD1 3.8Å; L431-L435 HydrophobicContact CD1-CG 4.03Å; L431-L435 HydrophobicContact CG-CD1 3.9Å; L431-L435 HydrophobicContact CG-CG 4.41Å; L431-L435 WeakPolarHBondContact O-CB 3.48Å; L431-L435 WeakPolarHBondContact O-CG 3.44Å; L431-L435 PolarHBondContact O-N 3.48Å; D432-L435 PolarHBondContact O-N 3.35Å
436H96.4Very high97.2Very high140 Ų14061.8 Ų61.865%0.64830%0.296SS*.Hα-helixtrans-123.1-7.4-163.9-56.7-53.5000115.4D432D432-H436 WeakPolarHBondContact O-CB 3.16Å; D432-H436 PolarHBondContact O-N 2.65Å; D432-H436 IonicContact OD1-CD2 3.54Å
437K89.9Confident97.2Very high137 Ų13767 Ų6760%0.59632%0.319SS*.  trans-121.40176.6-59-178.3-177.2173.20110.3M244 K246 A433M244-K437 HydrophobicContact CG-CB 3.92Å; K246-K437 PolarHBondContact NZ-OXT 2.86Å; A433-K437 HydrophobicContact CB-CD 4.27Å; A433-K437 PolarHBondContact O-N 3.5Å

Retrieved 437 of 437 residues in 170.3 ms (Link to these results)

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