A0A087WU46_HUMAN Loading...

IKAROS family zinc finger 1

AlphaFold DB , UniProt , Accession A0A087WU46, Species HUMAN (Homo sapiens, Human), Gene IKZF1, Length 336 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
1M37.3Very low42.6Very low223 Ų223146.8 Ų146.8100%1.09981%0.805SS**  067.70-68.6179.1-175.300110.4
2D36.6Very low42.9Very low144 Ų144145.4 Ų145.477%0.7780%0.804SS**  cis-158.6170.7-11.8-78.1-43.6000109.2
3A41.3Very low43.2Very low89 Ų89143 Ų14374%0.73680%0.803SS**  trans35113.8162.900000117.7
4D43.9Very low43.6Very low158 Ų158142 Ų14285%0.84580%0.802SS**  cis42.594.649.2-165.142.7000114.9
5E48.2Very low44.8Very low188 Ų188136.5 Ų136.588%0.87979%0.789SS**  trans-153.597.5156.5-131.6175.2-163.800109.3Q7E5-Q7 PolarHBondContact O-N 3.41Å
6G42.7Very low45.8Very low70 Ų70134.4 Ų134.472%0.72277%0.768SS**  trans-72.7121.7175.800000111.1D8G6-D8 PolarHBondContact O-N 3.29Å; G6-D8 VanDerWaalsContact O-N 3.14Å
7Q45.7Very low47.6Very low200 Ų200131.9 Ų131.994%0.93576%0.758SS**  trans-70.9111.6179-73-169.4-25.500111.3E5E5-Q7 PolarHBondContact O-N 3.41Å
8D42Very low49.3Very low131 Ų131127 Ų12770%0.70173%0.727SS**  trans-55.7140.5-178.9173.545.2000113.1G6 S10G6-D8 PolarHBondContact O-N 3.29Å; G6-D8 VanDerWaalsContact O-N 3.14Å; D8-S10 PolarHBondContact O-N 3.44Å; D8-S10 WeakPolarHBondContact OD2-CB 3.35Å
9M49.8Very low51Low161 Ų161127.4 Ų127.479%0.79372%0.72SS**  trans-79.555.9177.8-172166.448.100110.6Q11M9-Q11 VanDerWaalsContact C-N 3.31Å; M9-Q11 PolarHBondContact O-N 2.86Å
10S39Very low52.7Low89 Ų89121.2 Ų121.262%0.62269%0.685SS**  trans-67.284.5179.648.80000111D8 V12D8-S10 PolarHBondContact O-N 3.44Å; D8-S10 WeakPolarHBondContact OD2-CB 3.35Å; S10-V12 PolarHBondContact O-N 3.43Å
11Q42.6Very low54Low162 Ų162119.3 Ų119.376%0.75769%0.692SS**  trans-57.8103.3176.8-68.4-174.7-500110.4M9 S13M9-Q11 VanDerWaalsContact C-N 3.31Å; M9-Q11 PolarHBondContact O-N 2.86Å; Q11-S13 PolarHBondContact O-N 3.31Å
12V45.9Very low55.9Low130 Ų130115.6 Ų115.679%0.78867%0.667SS**  trans-56.7105.8167.4178.30000107.4S10 V14S10-V12 PolarHBondContact O-N 3.43Å; V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 WeakPolarHBondContact O-CG2 3.48Å; V12-V14 PolarHBondContact O-N 3.06Å
13S46.1Very low58.1Low114 Ų114111.3 Ų111.380%0.79765%0.648SS**  trans-7876.9-167.948.80000110.8Q11 G15Q11-S13 PolarHBondContact O-N 3.31Å; S13-G15 PolarHBondContact O-N 3.36Å
14V49.7Very low60.1Low129 Ų129109.6 Ų109.678%0.78264%0.638SS**  trans-42110.3-175.4-174.10000110.4V12 K16V12-V14 VanDerWaalsContact C-N 3.26Å; V12-V14 WeakPolarHBondContact O-CG2 3.48Å; V12-V14 PolarHBondContact O-N 3.06Å; V14-K16 PolarHBondContact O-N 3.11Å
15G61.3Low62Low60 Ų60109.6 Ų109.662%0.61963%0.627SS**  trans-58.2120.6-167.700000111.3S13 P17S13-G15 PolarHBondContact O-N 3.36Å; G15-P17 WeakPolarHBondContact O-CD 3.42Å
16K60.8Low63.8Low103 Ų103102.3 Ų102.345%0.44860%0.596SS.*  trans-45.7102.7-178.8-66.4-173.6-169172.90110.8V14 H18 S26 Y27 K28V14-K16 PolarHBondContact O-N 3.11Å; K16-H18 PolarHBondContact O-N 3.03Å; K16-S26 WeakPolarHBondContact CD-O 3.14Å; K16-Y27 CarbonylContact C-O 3.6Å; K16-Y27 WeakPolarHBondContact CB-O 3.48Å; K16-K28 HydrophobicContact CD-CG 4.42Å; K16-K28 HydrophobicContact CG-CG 4.06Å
17P75.5Confident65.8Low91 Ų91100.8 Ų100.859%0.59157%0.569SS**  trans-84.1-14.5-16130.4-33.3000113.1G15G15-P17 WeakPolarHBondContact O-CD 3.42Å
18H78.8Confident67.6Low44 Ų4499.5 Ų99.520%0.20456%0.56CS.*EExtended strand (participates in β ladder)trans-96.2106.6-179.8-63.899.8000109.4K16 S26 Y27 R30 L33K16-H18 PolarHBondContact O-N 3.03Å; H18-S26 CarbonylContact O-C 3.59Å; H18-S26 WeakPolarHBondContact O-CA 3.14Å; H18-Y27 PolarHBondContact N-O 2.96Å; H18-Y27 PolarHBondContact O-N 3.29Å; H18-R30 PolarHBondContact ND1-N 2.81Å; H18-R30 WeakPolarHBondContact NE2-CB 3.44Å; H18-R30 PolarHBondContact NE2-NE 3.09Å; H18-L33 HydrophobicContact CB-CB 3.94Å; H18-L33 HydrophobicContact CB-CD2 3.82Å; H18-L33 HydrophobicContact CB-CG 4.49Å
19K82.1Confident69.5Low135 Ų13599.2 Ų99.259%0.58756%0.555SS**EExtended strand (participates in β ladder)trans-113.1141-177.5-59.6-176.7176.3-82.60111.6R25 S26K19-R25 WeakPolarHBondContact CA-O 3.47Å; K19-S26 PolarHBondContact NZ-OG 3.42Å
20C85.4Confident70.9Confident3 Ų3100 Ų1002%0.0255%0.549CS..  trans-85.5120.6174.5-173.10000110.5Y22 C23 G24 R25 Y27 L33C20-Y22 VanDerWaalsContact C-N 3.28Å; C20-Y22 PolarHBondContact O-N 2.74Å; C20-C23 VanDerWaalsContact CB-SG 3.6Å; C20-C23 VanDerWaalsContact SG-SG 3.62Å; C20-G24 WeakPolarHBondContact O-CA 3.41Å; C20-G24 PolarHBondContact O-N 3.34Å; C20-R25 PolarHBondContact N-O 3.44Å; C20-Y27 HydrophobicContact CB-CE2 4.5Å; C20-L33 HydrophobicContact CB-CD1 3.64Å
21G78.6Confident73Confident82 Ų8299.2 Ų99.285%0.84554%0.543SS*.THydrogen-bonded Turntrans-64.1-30.1-179.900000114
22Y77.4Confident75.1Confident145 Ų14593.6 Ų93.657%0.56952%0.522SS*.THydrogen-bonded Turntrans-80.2-23.5-175.9-56.7-76.1000114.4C20 L44C20-Y22 VanDerWaalsContact C-N 3.28Å; C20-Y22 PolarHBondContact O-N 2.74Å; Y22-L44 HydrophobicContact CD1-CD2 3.88Å; Y22-L44 HydrophobicContact CG-CD2 4.46Å
23C84.3Confident77.1Confident54 Ų5488 Ų8837%0.36549%0.488SS..THydrogen-bonded Turntrans-141.85-17273.80000114.8C20 R25 H36C20-C23 VanDerWaalsContact CB-SG 3.6Å; C20-C23 VanDerWaalsContact SG-SG 3.62Å; C23-R25 PolarHBondContact O-N 2.78Å; C23-H36 PolarHBondContact SG-NE2 2.99Å
24G81.7Confident78.8Confident52 Ų5286.6 Ų86.654%0.53647%0.469SS..  trans69.4-11.6179.300000116.4C20 S26C20-G24 WeakPolarHBondContact O-CA 3.41Å; C20-G24 PolarHBondContact O-N 3.34Å; G24-S26 PolarHBondContact O-N 2.8Å; G24-S26 PolarHBondContact O-OG 3.45Å
25R85.3Confident80.5Confident159 Ų15985.2 Ų85.260%0.645%0.453SS*.  trans-58.4135.9-175.5-68.4-176.8178-157.9-0.6111.4K19 C20 C23 Y27K19-R25 WeakPolarHBondContact CA-O 3.47Å; C20-R25 PolarHBondContact N-O 3.44Å; C23-R25 PolarHBondContact O-N 2.78Å; R25-Y27 HydrophobicContact CB-CE2 3.57Å; R25-Y27 WeakPolarHBondContact CB-OH 3.5Å; R25-Y27 WeakPolarHBondContact CD-OH 3.36Å; R25-Y27 WeakPolarHBondContact O-CD2 3.17Å; R25-Y27 WeakPolarHBondContact O-CE2 3.3Å
26S85.4Confident81.7Confident34 Ų3483.8 Ų83.824%0.23843%0.431CS..EExtended strand (participates in β ladder)trans-115.5133.5-172.5-54.50000111.4K16 H18 K19 G24K16-S26 WeakPolarHBondContact CD-O 3.14Å; H18-S26 CarbonylContact O-C 3.59Å; H18-S26 WeakPolarHBondContact O-CA 3.14Å; K19-S26 PolarHBondContact NZ-OG 3.42Å; G24-S26 PolarHBondContact O-N 2.8Å; G24-S26 PolarHBondContact O-OG 3.45Å
27Y85Confident82.7Confident38 Ų3882.2 Ų82.215%0.14942%0.424CS..EExtended strand (participates in β ladder)trans-125146.5-168-62.8-87.9000111.8K16 H18 C20 R25 S32 L33 H36K16-Y27 CarbonylContact C-O 3.6Å; K16-Y27 WeakPolarHBondContact CB-O 3.48Å; H18-Y27 PolarHBondContact N-O 2.96Å; H18-Y27 PolarHBondContact O-N 3.29Å; C20-Y27 HydrophobicContact CB-CE2 4.5Å; R25-Y27 HydrophobicContact CB-CE2 3.57Å; R25-Y27 WeakPolarHBondContact CB-OH 3.5Å; R25-Y27 WeakPolarHBondContact CD-OH 3.36Å; R25-Y27 WeakPolarHBondContact O-CD2 3.17Å; R25-Y27 WeakPolarHBondContact O-CE2 3.3Å; Y27-S32 WeakPolarHBondContact CD1-OG 3.36Å; Y27-L33 HydrophobicContact CD2-CB 4.14Å; Y27-L33 HydrophobicContact CD2-CD1 3.86Å; Y27-L33 HydrophobicContact CE2-CD1 4.18Å; Y27-L33 HydrophobicContact CG-CB 4.33Å; Y27-H36 HydrophobicContact CE1-CB 4.19Å; Y27-H36 HydrophobicContact CE2-CB 4.27Å; Y27-H36 AromaticContact CE2-CD2 3.56Å; Y27-H36 AromaticContact CE2-CG 4Å; Y27-H36 AromaticContact CZ-CD2 3.57Å; Y27-H36 AromaticContact CZ-CG 3.57Å; Y27-H36 PolarHBondContact OH-CD2 3.42Å; Y27-H36 PolarHBondContact OH-ND1 3Å; Y27-H36 PolarHBondContact OH-NE2 2.98Å
28K83.7Confident82.9Confident174 Ų17484.5 Ų84.576%0.75743%0.427SS*.SBendtrans-72.4-31.2179.1-73.3-175.8170.5-176.10112.4K16K16-K28 HydrophobicContact CD-CG 4.42Å; K16-K28 HydrophobicContact CG-CG 4.06Å
29Q80.4Confident83Confident125 Ų12589.7 Ų89.758%0.58444%0.444SS*.SBendtrans-126.2155.1-174.9-64.8178.5-8.100111.7S31 L33Q29-S31 PolarHBondContact OE1-OG 3.22Å; Q29-L33 PolarHBondContact O-N 3.31Å
30R80.3Confident83Confident176 Ų17684 Ų8466%0.66442%0.421SS*.Hα-helixtrans-68-42.3178.4-168.5174.4-72.4-166.3-4.2112.6H18 S32 L33 E34H18-R30 PolarHBondContact ND1-N 2.81Å; H18-R30 WeakPolarHBondContact NE2-CB 3.44Å; H18-R30 PolarHBondContact NE2-NE 3.09Å; R30-S32 PolarHBondContact O-N 3.43Å; R30-L33 WeakPolarHBondContact O-CB 3.42Å; R30-L33 PolarHBondContact O-N 3.25Å; R30-L33 VanDerWaalsContact O-N 3.1Å; R30-E34 PolarHBondContact O-N 3.47Å
31S83.4Confident82.5Confident73 Ų7388 Ų8851%0.5144%0.44SS..Hα-helixtrans-50.8-52.4174.343.80000112Q29 L33 E34 E35Q29-S31 PolarHBondContact OE1-OG 3.22Å; S31-L33 VanDerWaalsContact C-N 3.26Å; S31-L33 PolarHBondContact O-N 3.25Å; S31-E34 PolarHBondContact O-N 3.24Å; S31-E35 WeakPolarHBondContact O-CB 3.44Å; S31-E35 PolarHBondContact O-N 3.45Å
32S86.6Confident82.1Confident45 Ų4589.3 Ų89.332%0.31543%0.427SS..Hα-helixtrans-65.6-24.5179.7-177.70000113.8Y27 R30 H36Y27-S32 WeakPolarHBondContact CD1-OG 3.36Å; R30-S32 PolarHBondContact O-N 3.43Å; S32-H36 WeakPolarHBondContact O-CB 3.47Å; S32-H36 PolarHBondContact O-N 3.22Å
33L86.8Confident81.7Confident13 Ų1389.7 Ų89.77%0.06843%0.429CS..Hα-helixtrans-74.5-43.1168.1170.863.7000111.5H18 C20 Y27 Q29 R30 S31 H36 K37H18-L33 HydrophobicContact CB-CB 3.94Å; H18-L33 HydrophobicContact CB-CD2 3.82Å; H18-L33 HydrophobicContact CB-CG 4.49Å; C20-L33 HydrophobicContact CB-CD1 3.64Å; Y27-L33 HydrophobicContact CD2-CB 4.14Å; Y27-L33 HydrophobicContact CD2-CD1 3.86Å; Y27-L33 HydrophobicContact CE2-CD1 4.18Å; Y27-L33 HydrophobicContact CG-CB 4.33Å; Q29-L33 PolarHBondContact O-N 3.31Å; R30-L33 WeakPolarHBondContact O-CB 3.42Å; R30-L33 PolarHBondContact O-N 3.25Å; R30-L33 VanDerWaalsContact O-N 3.1Å; S31-L33 VanDerWaalsContact C-N 3.26Å; S31-L33 PolarHBondContact O-N 3.25Å; L33-H36 CarbonylContact O-C 3.59Å; L33-H36 WeakPolarHBondContact O-CB 3.4Å; L33-H36 PolarHBondContact O-N 3.03Å; L33-K37 HydrophobicContact CD1-CG 4.29Å; L33-K37 HydrophobicContact CG-CG 4.46Å; L33-K37 WeakPolarHBondContact O-CG 3.35Å; L33-K37 PolarHBondContact O-N 2.81Å
34E82.4Confident81.1Confident84 Ų8489.6 Ų89.639%0.39343%0.425SS..Hα-helixtrans-66.7-47.6-178-140.164.4-14300111.6R30 S31 H36 K37 E38R30-E34 PolarHBondContact O-N 3.47Å; S31-E34 PolarHBondContact O-N 3.24Å; E34-H36 PolarHBondContact O-N 2.61Å; E34-H36 VanDerWaalsContact O-N 3.12Å; E34-K37 WeakPolarHBondContact O-CB 3.22Å; E34-K37 PolarHBondContact O-N 2.72Å; E34-K37 WeakPolarHBondContact OE1-CD 3.49Å; E34-K37 IonicContact OE1-NZ 3.84Å; E34-K37 PolarHBondContact OE1-NZ 2.7Å; E34-K37 IonicContact OE2-NZ 2.7Å; E34-K37 PolarHBondContact OE2-NZ 2.87Å; E34-E38 PolarHBondContact O-N 3.36Å; E34-E38 VanDerWaalsContact O-N 3.16Å
35E84.9Confident80.3Confident99 Ų9992.8 Ų92.846%0.46343%0.426SS..Hα-helixtrans-60.3-22.6173.8-156.1-143.9140.200112.7S31 R39S31-E35 WeakPolarHBondContact O-CB 3.44Å; S31-E35 PolarHBondContact O-N 3.45Å; E35-R39 PolarHBondContact O-NH1 3.07Å; E35-R39 IonicContact OE1-CZ 3.21Å; E35-R39 IonicContact OE1-NH1 2.72Å; E35-R39 PolarHBondContact OE1-NH1 3.05Å; E35-R39 IonicContact OE1-NH2 3.09Å; E35-R39 PolarHBondContact OE1-NH2 3.3Å
36H86.9Confident79.2Confident31 Ų3189.6 Ų89.614%0.14443%0.428CS..Hα-helixtrans-84.2-41.617017258.6000112.8C23 Y27 S32 L33 E34 E38 R39 C40C23-H36 PolarHBondContact SG-NE2 2.99Å; Y27-H36 HydrophobicContact CE1-CB 4.19Å; Y27-H36 HydrophobicContact CE2-CB 4.27Å; Y27-H36 AromaticContact CE2-CD2 3.56Å; Y27-H36 AromaticContact CE2-CG 4Å; Y27-H36 AromaticContact CZ-CD2 3.57Å; Y27-H36 AromaticContact CZ-CG 3.57Å; Y27-H36 PolarHBondContact OH-CD2 3.42Å; Y27-H36 PolarHBondContact OH-ND1 3Å; Y27-H36 PolarHBondContact OH-NE2 2.98Å; S32-H36 WeakPolarHBondContact O-CB 3.47Å; S32-H36 PolarHBondContact O-N 3.22Å; L33-H36 CarbonylContact O-C 3.59Å; L33-H36 WeakPolarHBondContact O-CB 3.4Å; L33-H36 PolarHBondContact O-N 3.03Å; E34-H36 PolarHBondContact O-N 2.61Å; E34-H36 VanDerWaalsContact O-N 3.12Å; H36-E38 VanDerWaalsContact C-N 3.32Å; H36-E38 PolarHBondContact O-N 2.59Å; H36-R39 PolarHBondContact O-N 3.47Å; H36-C40 WeakPolarHBondContact O-CB 3.44Å; H36-C40 PolarHBondContact O-N 2.91Å
37K82.3Confident78Confident70 Ų7093.7 Ų93.730%0.30444%0.444SS..Hα-helixtrans-55.5-46.1178.6-79.2169.4174.4170.60111.5L33 E34 R39 C40 H41L33-K37 HydrophobicContact CD1-CG 4.29Å; L33-K37 HydrophobicContact CG-CG 4.46Å; L33-K37 WeakPolarHBondContact O-CG 3.35Å; L33-K37 PolarHBondContact O-N 2.81Å; E34-K37 WeakPolarHBondContact O-CB 3.22Å; E34-K37 PolarHBondContact O-N 2.72Å; E34-K37 WeakPolarHBondContact OE1-CD 3.49Å; E34-K37 IonicContact OE1-NZ 3.84Å; E34-K37 PolarHBondContact OE1-NZ 2.7Å; E34-K37 IonicContact OE2-NZ 2.7Å; E34-K37 PolarHBondContact OE2-NZ 2.87Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-R39 PolarHBondContact O-N 2.92Å; K37-C40 PolarHBondContact O-N 2.73Å; K37-C40 VanDerWaalsContact O-N 3.14Å; K37-H41 WeakPolarHBondContact O-CB 3.27Å; K37-H41 PolarHBondContact O-N 2.71Å
38E80.3Confident76.5Confident139 Ų13994.8 Ų94.865%0.6547%0.467SS*.Hα-helixtrans-56.2-48.8-179.8-67.5179163.500111.2E34 H36 N42E34-E38 PolarHBondContact O-N 3.36Å; E34-E38 VanDerWaalsContact O-N 3.16Å; H36-E38 VanDerWaalsContact C-N 3.32Å; H36-E38 PolarHBondContact O-N 2.59Å; E38-N42 WeakPolarHBondContact O-CB 3.12Å; E38-N42 PolarHBondContact O-N 2.8Å; E38-N42 VanDerWaalsContact O-N 3.15Å
39R80.7Confident74.9Confident152 Ų15292.1 Ų92.157%0.57446%0.46SS*.Hα-helixtrans-70.6-33.1177.1-58-170.6-171.4101.3-13.1112.9E35 H36 K37 Y43E35-R39 PolarHBondContact O-NH1 3.07Å; E35-R39 IonicContact OE1-CZ 3.21Å; E35-R39 IonicContact OE1-NH1 2.72Å; E35-R39 PolarHBondContact OE1-NH1 3.05Å; E35-R39 IonicContact OE1-NH2 3.09Å; E35-R39 PolarHBondContact OE1-NH2 3.3Å; H36-R39 PolarHBondContact O-N 3.47Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-R39 PolarHBondContact O-N 2.92Å; R39-Y43 VanDerWaalsContact O-CB 3.27Å; R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 2.95Å
40C80.9Confident73.1Confident15 Ų1591.2 Ų91.210%0.10147%0.466CS..Hα-helixtrans-72.6-37.3179.3-166.30000112.3H36 K37 L44H36-C40 WeakPolarHBondContact O-CB 3.44Å; H36-C40 PolarHBondContact O-N 2.91Å; K37-C40 PolarHBondContact O-N 2.73Å; K37-C40 VanDerWaalsContact O-N 3.14Å; C40-L44 WeakPolarHBondContact O-CB 3.31Å; C40-L44 PolarHBondContact O-N 3.35Å
41H75.1Confident71.7Confident87 Ų8786.8 Ų86.840%0.40348%0.475SS..Hα-helixtrans-65.8-52.1174.1-166.3-75.4000109.4K37 Y43 L44 E45K37-H41 WeakPolarHBondContact O-CB 3.27Å; K37-H41 PolarHBondContact O-N 2.71Å; H41-Y43 VanDerWaalsContact C-N 3.27Å; H41-Y43 PolarHBondContact O-N 3.3Å; H41-L44 PolarHBondContact O-N 3.26Å; H41-L44 VanDerWaalsContact O-N 3.07Å; H41-E45 IonicContact CE1-OE2 2.74Å; H41-E45 PolarHBondContact CE1-OE2 3.23Å; H41-E45 IonicContact ND1-OE2 2.71Å; H41-E45 PolarHBondContact ND1-OE2 3.12Å; H41-E45 WeakPolarHBondContact O-CB 3.33Å; H41-E45 PolarHBondContact O-N 3.16Å
42N70.6Confident70Confident110 Ų11089 Ų8959%0.58849%0.485SS*.Hα-helixtrans-61.4-36.4-179.1-149.4-111.9000112.2E38 S46E38-N42 WeakPolarHBondContact O-CB 3.12Å; E38-N42 PolarHBondContact O-N 2.8Å; E38-N42 VanDerWaalsContact O-N 3.15Å; N42-S46 VanDerWaalsContact O-CB 3.31Å; N42-S46 WeakPolarHBondContact O-CB 3.36Å; N42-S46 PolarHBondContact O-N 2.82Å; N42-S46 PolarHBondContact O-OG 2.8Å
43Y69.8Low68.2Low154 Ų15494.7 Ų94.760%0.60451%0.511SS*.Hα-helixtrans-63-50.1170.6-178.1-95.4000112.6R39 H41 E45 S46 M47R39-Y43 VanDerWaalsContact O-CB 3.27Å; R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 2.95Å; H41-Y43 VanDerWaalsContact C-N 3.27Å; H41-Y43 PolarHBondContact O-N 3.3Å; Y43-E45 VanDerWaalsContact C-N 3.33Å; Y43-E45 PolarHBondContact O-N 3.39Å; Y43-S46 PolarHBondContact O-N 2.98Å; Y43-S46 PolarHBondContact O-OG 3.14Å; Y43-M47 HydrophobicContact CD1-CG 4.49Å; Y43-M47 HydrophobicContact CE1-CG 4.18Å; Y43-M47 WeakPolarHBondContact O-CG 3.15Å; Y43-M47 PolarHBondContact O-N 3.01Å; Y43-M47 VanDerWaalsContact O-N 3.08Å
44L70.3Confident65.7Low52 Ų52104.4 Ų104.427%0.27255%0.549SS..Hα-helixtrans-62.5-39.7179.9-177.762.8000112.5Y22 C40 H41 M47 G48 L49Y22-L44 HydrophobicContact CD1-CD2 3.88Å; Y22-L44 HydrophobicContact CG-CD2 4.46Å; C40-L44 WeakPolarHBondContact O-CB 3.31Å; C40-L44 PolarHBondContact O-N 3.35Å; H41-L44 PolarHBondContact O-N 3.26Å; H41-L44 VanDerWaalsContact O-N 3.07Å; L44-M47 CarbonylContact O-C 3.58Å; L44-M47 PolarHBondContact O-N 3.28Å; L44-G48 PolarHBondContact O-N 3.28Å; L44-L49 HydrophobicContact CD1-CB 4Å; L44-L49 HydrophobicContact CD1-CD1 3.77Å; L44-L49 HydrophobicContact CD1-CG 4.44Å
45E64.4Low64Low119 Ų119106 Ų10656%0.55657%0.566SS**Hα-helixtrans-67-42177.4-170.3166.8-159.600111.1H41 Y43 M47 G48H41-E45 IonicContact CE1-OE2 2.74Å; H41-E45 PolarHBondContact CE1-OE2 3.23Å; H41-E45 IonicContact ND1-OE2 2.71Å; H41-E45 PolarHBondContact ND1-OE2 3.12Å; H41-E45 WeakPolarHBondContact O-CB 3.33Å; H41-E45 PolarHBondContact O-N 3.16Å; Y43-E45 VanDerWaalsContact C-N 3.33Å; Y43-E45 PolarHBondContact O-N 3.39Å; E45-M47 PolarHBondContact O-N 3.39Å; E45-G48 PolarHBondContact O-N 2.74Å; E45-G48 VanDerWaalsContact O-N 3.16Å
46S62.4Low61.8Low92 Ų92107.7 Ų107.764%0.64358%0.583SS**Hα-helixtrans-65.7-22.7171.6760000114.1N42 Y43 G48N42-S46 VanDerWaalsContact O-CB 3.31Å; N42-S46 WeakPolarHBondContact O-CB 3.36Å; N42-S46 PolarHBondContact O-N 2.82Å; N42-S46 PolarHBondContact O-OG 2.8Å; Y43-S46 PolarHBondContact O-N 2.98Å; Y43-S46 PolarHBondContact O-OG 3.14Å; S46-G48 VanDerWaalsContact C-N 3.35Å
47M61.2Low59.8Low119 Ų119113.8 Ų113.859%0.58662%0.615SS**THydrogen-bonded Turntrans-88.72.5176.2-71.8-69.2-66.200113.3Y43 L44 E45 L49Y43-M47 HydrophobicContact CD1-CG 4.49Å; Y43-M47 HydrophobicContact CE1-CG 4.18Å; Y43-M47 WeakPolarHBondContact O-CG 3.15Å; Y43-M47 PolarHBondContact O-N 3.01Å; Y43-M47 VanDerWaalsContact O-N 3.08Å; L44-M47 CarbonylContact O-C 3.58Å; L44-M47 PolarHBondContact O-N 3.28Å; E45-M47 PolarHBondContact O-N 3.39Å; M47-L49 PolarHBondContact O-N 3.15Å
48G53Low57.6Low61 Ų61119.9 Ų119.963%0.62964%0.642SS**THydrogen-bonded Turntrans71.418.4167.100000116.4L44 E45 S46 P50L44-G48 PolarHBondContact O-N 3.28Å; E45-G48 PolarHBondContact O-N 2.74Å; E45-G48 VanDerWaalsContact O-N 3.16Å; S46-G48 VanDerWaalsContact C-N 3.35Å; G48-P50 WeakPolarHBondContact O-CD 3.46Å
49L50.7Low55.8Low118 Ų118121.7 Ų121.762%0.61865%0.65SS**  trans-85.3114.9176-73.5174.6000110.9L44 M47 G51L44-L49 HydrophobicContact CD1-CB 4Å; L44-L49 HydrophobicContact CD1-CD1 3.77Å; L44-L49 HydrophobicContact CD1-CG 4.44Å; M47-L49 PolarHBondContact O-N 3.15Å; L49-G51 PolarHBondContact O-N 3.34Å
50P42.8Very low53.7Low107 Ų107122 Ų12270%0.69566%0.658SS**  trans-69122.2179.427.7-33.8000111.1G48 T52G48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-T52 PolarHBondContact O-N 2.67Å
51G50.4Low51.5Low83 Ų83126.7 Ų126.786%0.85669%0.686SS**  trans-7578.3-17500000114.2L49L49-G51 PolarHBondContact O-N 3.34Å
52T47.7Very low49.8Very low119 Ų119129.4 Ų129.473%0.7370%0.704SS**  trans-120.442.5-175.9-38.50000113.7P50P50-T52 PolarHBondContact O-N 2.67Å
53L49.5Very low48.1Very low165 Ų165133.1 Ų133.186%0.86472%0.717SS**  trans-144.379.7169.9-75.3-179.4000112.5
54Y32.8Very low46.7Very low217 Ų217130.8 Ų130.885%0.85172%0.723SS**  175.9119.2127.2-115.8-87.1000111.2
55P46.5Very low45.5Very low117 Ų117136.6 Ų136.676%0.7675%0.749SS**  trans-68.7132.1158.9-15.831.3000109.9
56V38.8Very low44.5Very low134 Ų134140 Ų14081%0.81277%0.767SS**  trans-71.4134172.3171.70000109.3K58V56-K58 PolarHBondContact O-N 2.77Å; V56-K58 VanDerWaalsContact O-N 3.13Å
57I46Very low43.9Very low159 Ų159140.2 Ų140.282%0.81577%0.774SS**  trans-62.7114.7173.8-51.4171.5000108.6
58K35.6Very low43.3Very low199 Ų199142.6 Ų142.687%0.86578%0.784SS**  trans-124.5131.1156.8-93.7-165.8169.6-171.10109V56V56-K58 PolarHBondContact O-N 2.77Å; V56-K58 VanDerWaalsContact O-N 3.13Å
59E43.2Very low42.9Very low177 Ų177144.8 Ų144.883%0.82778%0.781SS**  trans-80.1-179.7177.7-155.7162.2-171.400110.4
60E35.5Very low42.8Very low158 Ų158146.3 Ų146.374%0.73879%0.789SS**  trans9699.9175.6-55.7-72.977.300118.4
61T35.3Very low43.2Very low114 Ų114146.3 Ų146.370%0.69979%0.791SS**  trans62.1116.514358.40000122.3
62N39.8Very low43.1Very low143 Ų143148.5 Ų148.577%0.76578%0.777SS**  trans33115.1143.9-65.4-72.5000120
63H34.3Very low43.2Very low189 Ų189147.4 Ų147.488%0.87577%0.765SS**  -160.8169.193.4-112.3-94.5000111.2
64S41.4Very low43.2Very low104 Ų104141.8 Ų141.873%0.72775%0.748SS**  trans-81.6177.5-178.2-167.80000112.8
65E44.1Very low44.4Very low174 Ų174134.8 Ų134.881%0.81373%0.731SS**  trans86.691.7163.596-155.3136.800119.8
66M44.5Very low44.8Very low190 Ų190135.5 Ų135.594%0.93672%0.724SS**  trans-178.519.6151.848.4-173.8147.300115.5E68M66-E68 PolarHBondContact O-N 2.82Å
67A48.2Very low45.5Very low97 Ų97137 Ų13780%0.80272%0.715SS**  trans-87.94.9-163.700000117.3
68E49Very low46Very low169 Ų169133.3 Ų133.379%0.7970%0.703SS**SBendtrans-104.3-21.2-162-58.3-157.9155.900116.9M66M66-E68 PolarHBondContact O-N 2.82Å
69D45.7Very low47Very low107 Ų107128.8 Ų128.857%0.57269%0.688SS**THydrogen-bonded Turntrans-84.4-13.4-168.2-106.1-12.6000115.9C71 K72D69-C71 VanDerWaalsContact C-N 3.32Å; D69-C71 PolarHBondContact O-N 3.43Å; D69-K72 IonicContact OD1-NZ 2.61Å; D69-K72 PolarHBondContact OD1-NZ 3.16Å
70L47.8Very low47.7Very low150 Ų150124.6 Ų124.679%0.78567%0.674SS**THydrogen-bonded Turntrans-71.1-25.5176.8-93.970.2000113.3K72 I73L70-K72 PolarHBondContact O-N 3.07Å; L70-I73 PolarHBondContact O-N 3.02Å
71C50.4Low48.9Very low107 Ų107122.9 Ų122.972%0.72367%0.669SS**THydrogen-bonded Turntrans-70.8-27.4-172.2-710000114.1D69D69-C71 VanDerWaalsContact C-N 3.32Å; D69-C71 PolarHBondContact O-N 3.43Å
72K49.8Very low49.8Very low129 Ų129122.9 Ų122.956%0.56167%0.665SS**Hα-helixtrans-68.3-40.9179.4-65166-169.2153.80111.5D69 L70 G74 S75D69-K72 IonicContact OD1-NZ 2.61Å; D69-K72 PolarHBondContact OD1-NZ 3.16Å; L70-K72 PolarHBondContact O-N 3.07Å; K72-G74 PolarHBondContact O-N 3.37Å; K72-G74 VanDerWaalsContact O-N 3.09Å; K72-S75 PolarHBondContact O-N 2.94Å
73I49.7Very low50.7Low96 Ų96124.8 Ų124.849%0.49266%0.661SS.*Hα-helixtrans-63.7-18.1-173.4-67.2172.3000113.6L70 R77L70-I73 PolarHBondContact O-N 3.02Å; I73-R77 PolarHBondContact O-NH1 3.38Å
74G49.8Very low51.7Low48 Ų48121.3 Ų121.350%0.49565%0.649SS.*Hα-helixtrans-80.7-38.8172.600000114.2K72 R77 S78K72-G74 PolarHBondContact O-N 3.37Å; K72-G74 VanDerWaalsContact O-N 3.09Å; G74-R77 PolarHBondContact O-N 3.08Å; G74-S78 PolarHBondContact O-N 3.32Å
75S57.1Low52.4Low70 Ų70119.4 Ų119.449%0.4964%0.639SS.*Hα-helixtrans-65.3-45.2-175.5-166.80000111.8K72 R77 S78 L79K72-S75 PolarHBondContact O-N 2.94Å; S75-R77 VanDerWaalsContact C-N 3.27Å; S75-R77 PolarHBondContact O-N 3.32Å; S75-S78 PolarHBondContact O-N 3.05Å; S75-S78 VanDerWaalsContact O-N 3.15Å; S75-L79 PolarHBondContact O-N 3.38Å
76E53.9Low53.1Low132 Ų132114.4 Ų114.462%0.61762%0.624SS**Hα-helixtrans-49.9-45.7176.9-54.4-60.7153.800112.2V80E76-V80 WeakPolarHBondContact O-CG2 3.34Å; E76-V80 PolarHBondContact O-N 3.22Å
77R54.8Low53.6Low166 Ų166111.1 Ų111.163%0.62661%0.61SS**Hα-helixtrans-72.4-37.8-177.2-70.2-170.9175.285-5.8112.7I73 G74 S75 V80 L81I73-R77 PolarHBondContact O-NH1 3.38Å; G74-R77 PolarHBondContact O-N 3.08Å; S75-R77 VanDerWaalsContact C-N 3.27Å; S75-R77 PolarHBondContact O-N 3.32Å; R77-V80 PolarHBondContact O-N 3.26Å; R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 3.15Å
78S55.8Low54Low81 Ų81112.1 Ų112.157%0.56661%0.605SS**Hα-helixtrans-61.8-45.5179.2-164.20000111.4G74 S75 V80 L81 D82G74-S78 PolarHBondContact O-N 3.32Å; S75-S78 PolarHBondContact O-N 3.05Å; S75-S78 VanDerWaalsContact O-N 3.15Å; S78-V80 VanDerWaalsContact C-N 3.32Å; S78-V80 PolarHBondContact O-N 3.36Å; S78-L81 PolarHBondContact O-N 3.17Å; S78-D82 PolarHBondContact O-N 2.93Å
79L56.8Low54.3Low104 Ų104108.3 Ų108.355%0.54560%0.603SS.*Hα-helixtrans-69.3-25.6-178.9-63.8173.3000113.8S75 R83S75-L79 PolarHBondContact O-N 3.38Å; L79-R83 WeakPolarHBondContact O-CG 3.38Å; L79-R83 PolarHBondContact O-N 2.71Å
80V59Low54.7Low88 Ų88112.2 Ų112.253%0.53362%0.615SS.*Hα-helixtrans-75.7-37.3174.41710000111.7E76 R77 S78 R83 L84E76-V80 WeakPolarHBondContact O-CG2 3.34Å; E76-V80 PolarHBondContact O-N 3.22Å; R77-V80 PolarHBondContact O-N 3.26Å; S78-V80 VanDerWaalsContact C-N 3.32Å; S78-V80 PolarHBondContact O-N 3.36Å; V80-R83 PolarHBondContact O-N 2.88Å; V80-L84 PolarHBondContact O-N 3.42Å; V80-L84 VanDerWaalsContact O-N 3.13Å
81L59.1Low54.9Low122 Ų122116.2 Ų116.264%0.63962%0.619SS**Hα-helixtrans-67.4-42178.2-69.2171.4000112.2R77 S78 R83 L84 A85R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 3.15Å; S78-L81 PolarHBondContact O-N 3.17Å; L81-R83 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 3.17Å; L81-L84 WeakPolarHBondContact O-CA 3.38Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 3.08Å; L81-A85 PolarHBondContact O-N 2.91Å
82D55.6Low55.1Low114 Ų114120.6 Ų120.661%0.6163%0.626SS**Hα-helixtrans-64.6-37.1177-169.857.7000112.3S78 L84 A85 S86S78-D82 PolarHBondContact O-N 2.93Å; D82-L84 VanDerWaalsContact C-N 3.28Å; D82-L84 PolarHBondContact O-N 3.4Å; D82-A85 PolarHBondContact O-N 3.11Å; D82-S86 WeakPolarHBondContact O-CB 3.33Å; D82-S86 PolarHBondContact O-N 3.36Å; D82-S86 PolarHBondContact O-OG 3.44Å
83R58.6Low55.1Low183 Ų183120.4 Ų120.469%0.69164%0.641SS**Hα-helixtrans-65.2-25.7169.6-81.5178.8168.5162.5-1.7113.9L79 V80 L81 S86 N87L79-R83 WeakPolarHBondContact O-CG 3.38Å; L79-R83 PolarHBondContact O-N 2.71Å; V80-R83 PolarHBondContact O-N 2.88Å; L81-R83 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 3.17Å; R83-S86 WeakPolarHBondContact CA-OG 3.34Å; R83-S86 PolarHBondContact O-OG 3.47Å; R83-N87 PolarHBondContact O-ND2 3.1Å
84L53.7Low54.9Low117 Ų117120.9 Ų120.961%0.61365%0.653SS**Hα-helixtrans-75.2-51172.8-123.272.9000110.8V80 L81 D82 S86 N87 V88V80-L84 PolarHBondContact O-N 3.42Å; V80-L84 VanDerWaalsContact O-N 3.13Å; L81-L84 WeakPolarHBondContact O-CA 3.38Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 3.08Å; D82-L84 VanDerWaalsContact C-N 3.28Å; D82-L84 PolarHBondContact O-N 3.4Å; L84-S86 PolarHBondContact O-N 2.86Å; L84-N87 PolarHBondContact O-N 2.83Å; L84-V88 PolarHBondContact O-N 3.27Å
85A57.4Low54.9Low64 Ų64125.9 Ų125.953%0.52967%0.665SS.*Hα-helixtrans-58.3-45.6-178.400000112.5L81 D82 N87 V88L81-A85 PolarHBondContact O-N 2.91Å; D82-A85 PolarHBondContact O-N 3.11Å; A85-N87 PolarHBondContact O-N 3.46Å; A85-V88 PolarHBondContact O-N 2.98Å
86S57.5Low54.3Low69 Ų69128 Ų12848%0.48368%0.677SS.*Hα-helixtrans-64.8-19.5179.951.70000114.8D82 R83 L84D82-S86 WeakPolarHBondContact O-CB 3.33Å; D82-S86 PolarHBondContact O-N 3.36Å; D82-S86 PolarHBondContact O-OG 3.44Å; R83-S86 WeakPolarHBondContact CA-OG 3.34Å; R83-S86 PolarHBondContact O-OG 3.47Å; L84-S86 PolarHBondContact O-N 2.86Å
87N56.3Low53.9Low120 Ų120130.1 Ų130.164%0.64269%0.687SS**Hα-helixtrans-91.5-16.4176.2-82.4-69.9000114.2R83 L84 A85R83-N87 PolarHBondContact O-ND2 3.1Å; L84-N87 PolarHBondContact O-N 2.83Å; A85-N87 PolarHBondContact O-N 3.46Å
88V56.6Low53.5Low118 Ų118131.2 Ų131.272%0.71570%0.696SS**Hα-helixtrans-74.3-32.2177.2174.60000111.7L84 A85 K90L84-V88 PolarHBondContact O-N 3.27Å; A85-V88 PolarHBondContact O-N 2.98Å; V88-K90 VanDerWaalsContact C-N 3.27Å; V88-K90 PolarHBondContact O-N 2.82Å; V88-K90 VanDerWaalsContact O-N 3.15Å
89A55.4Low52.9Low89 Ų89137.6 Ų137.674%0.73672%0.715SS**THydrogen-bonded Turntrans-76.24.4-172.100000116.2
90K53.5Low52.5Low190 Ų190140.7 Ų140.783%0.82673%0.731SS**THydrogen-bonded Turntrans-127.645.7-175.9-72.2-174.8179.6173.10114.6V88V88-K90 VanDerWaalsContact C-N 3.27Å; V88-K90 PolarHBondContact O-N 2.82Å; V88-K90 VanDerWaalsContact O-N 3.15Å
91R52.3Low51.6Low233 Ų233140.1 Ų140.188%0.87974%0.742SS**SBendtrans-113.8108.2157.8-65.9-172.9-173.6176.83.7109.8S93R91-S93 PolarHBondContact O-N 3.1Å
92K54.1Low50.6Low200 Ų200140.3 Ų140.387%0.8774%0.744SS**  trans-45126.8177.258-161.8174.3-177.60112.2S94K92-S94 VanDerWaalsContact C-N 3.35Å; K92-S94 PolarHBondContact O-N 2.9Å
93S49.6Very low50Low124 Ų124143.6 Ų143.687%0.86775%0.753SS**  trans-70.787.6172.449.50000110.1R91 M95R91-S93 PolarHBondContact O-N 3.1Å; S93-M95 PolarHBondContact O-N 3.43Å
94S45.2Very low48.9Very low106 Ų106138.6 Ų138.674%0.74176%0.758SS**  trans-68.3120.2169.4-167.20000108.9K92K92-S94 VanDerWaalsContact C-N 3.35Å; K92-S94 PolarHBondContact O-N 2.9Å
95M50.9Low48.2Very low154 Ų154140.7 Ų140.776%0.75977%0.77SS**  trans-58.7153.4165.6-97.7-165.669.900110.4S93 Q97S93-M95 PolarHBondContact O-N 3.43Å; M95-Q97 PolarHBondContact O-N 2.93Å
96P43.1Very low47.2Very low114 Ų114143.5 Ų143.574%0.7479%0.785SS**  trans-66.899.2168.128.5-33000109.1
97Q46.9Very low46.3Very low177 Ų177147.1 Ų147.183%0.82780%0.799SS**  trans-76.4133.3-179.2-168.3151.1-38.900110.2M95M95-Q97 PolarHBondContact O-N 2.93Å
98K46.4Very low45.5Very low188 Ų188148.2 Ų148.282%0.81781%0.81SS**  trans-69.3137.9-172.2-57.6-173.8-178.8-174.80110.7L100K98-L100 PolarHBondContact O-N 3.15Å
99F43.4Very low45.1Very low216 Ų216148.2 Ų148.295%0.94781%0.813SS**  trans-65104.3172.1-91.5-100.4000110.4
100L47.1Very low44.1Very low168 Ų168153.9 Ų153.988%0.8882%0.817SS**  trans-125.5113.8156.3-69.9174.4000105.5K98K98-L100 PolarHBondContact O-N 3.15Å
101G41.4Very low43.2Very low76 Ų76150.2 Ų150.278%0.78481%0.806SS**  trans-92.3143.6177.600000111.2
102D38.3Very low42.7Very low127 Ų127143.9 Ų143.968%0.67980%0.798SS**  trans-153.9171.6140.9-143.5-7000112.6
103K41.7Very low42.1Very low182 Ų182139.7 Ų139.779%0.79179%0.793SS**  trans-46.1152.7-172.6-47.8113.3-169.3142.20116.5
104G35.8Very low41.8Very low78 Ų78138 Ų13880%0.80479%0.787SS**  trans174.993.8161.200000116.3
105L39.6Very low41.7Very low162 Ų162138.5 Ų138.585%0.84879%0.791SS**  trans-55.3154.3178.4-60165.9000115.6
106S36.6Very low41.6Very low123 Ų123140.6 Ų140.686%0.8679%0.791SS**  trans-159.2123.2151-63.40000110.4
107D38.3Very low42Very low144 Ų144142.5 Ų142.577%0.7779%0.791SS**  trans-89.4152.8179.5-55.9-88.6000113.4
108T38.8Very low42.2Very low143 Ų143142.2 Ų142.288%0.87779%0.787SS**  -175.6160126.921.60000111.3
109P49.6Very low42.4Very low119 Ų119139.9 Ų139.977%0.77378%0.779SS**  trans-114.5-171.5-151.343.7-38000116.6
110Y33.7Very low42.5Very low208 Ų208135.3 Ų135.382%0.81676%0.764SS**  trans89.9134.3168.6-152.3-122.6000114.7
111D34.9Very low42.8Very low113 Ų113134.3 Ų134.360%0.60476%0.755SS**  cis-135.4178.17.1-163.47.8000112.7
112S41.6Very low43.5Very low100 Ų100136.2 Ų136.270%0.69975%0.745SS**  trans-88.3133.2-175.7-53.50000114
113S41.3Very low44.4Very low111 Ų111135.2 Ų135.278%0.77674%0.737SS**  trans173.363.4139.541.10000114.7
114A42.2Very low45Very low90 Ų90133.9 Ų133.974%0.74473%0.732SS**  trans-141.456.3175.800000113.1
115S43.9Very low46.1Very low116 Ų116133.2 Ų133.281%0.81172%0.715SS**  trans-94.210-168-163.50000115.9
116Y49.7Very low47.4Very low197 Ų197131.3 Ų131.377%0.77370%0.701SS**SBendtrans-130.11.7-168.439.5-103.1000116.9
117E50.6Low49Very low155 Ų155130.3 Ų130.372%0.72469%0.689SS**SBendtrans-102.9-32.5172.7-64.1-160.1124.600113.9E119 N120 E121E117-E119 VanDerWaalsContact C-N 3.28Å; E117-E119 PolarHBondContact O-N 3.12Å; E117-E119 VanDerWaalsContact O-N 3.17Å; E117-N120 WeakPolarHBondContact O-CB 3.22Å; E117-N120 PolarHBondContact O-N 3.49Å; E117-E121 PolarHBondContact O-N 3.24Å
118K51.6Low50.3Low170 Ų170129.4 Ų129.474%0.73968%0.682SS**Hα-helixtrans-62.3-28.4-169.5-167.2170.3-176.6174.90114.8M122K118-M122 PolarHBondContact O-N 3.27Å
119E49.8Very low52Low139 Ų139126 Ų12665%0.6566%0.659SS**Hα-helixtrans-73-33.3177.3-161.3-179.1177.900112.2E117 M122 M123E117-E119 VanDerWaalsContact C-N 3.28Å; E117-E119 PolarHBondContact O-N 3.12Å; E117-E119 VanDerWaalsContact O-N 3.17Å; E119-M122 HydrophobicContact CG-CE 3.72Å; E119-M122 WeakPolarHBondContact O-CG 3.47Å; E119-M123 PolarHBondContact O-N 3.27Å
120N46.9Very low53.4Low120 Ų120124.9 Ų124.964%0.64264%0.643SS**Hα-helixtrans-72.4-33.3178.9-161.411.6000111.1E117 K124E117-N120 WeakPolarHBondContact O-CB 3.22Å; E117-N120 PolarHBondContact O-N 3.49Å; N120-K124 WeakPolarHBondContact O-CB 3.44Å; N120-K124 PolarHBondContact O-N 2.71Å
121E53.7Low55.6Low147 Ų147117.8 Ų117.869%0.68763%0.628SS**Hα-helixtrans-71.3-45.4178-168.1170.8-141.500112.6E117 M123 K124 S125E117-E121 PolarHBondContact O-N 3.24Å; E121-M123 VanDerWaalsContact C-N 3.3Å; E121-M123 PolarHBondContact O-N 3.15Å; E121-K124 WeakPolarHBondContact O-CB 3.5Å; E121-K124 PolarHBondContact O-N 3.31Å; E121-K124 VanDerWaalsContact O-N 3.12Å; E121-S125 PolarHBondContact O-N 3.36Å; E121-S125 VanDerWaalsContact O-N 3.15Å
122M56.1Low57.6Low116 Ų116116.5 Ų116.557%0.57162%0.62SS**Hα-helixtrans-63.1-36.2178.275.7-178.9-160.600112.4K118 E119 K124 H126K118-M122 PolarHBondContact O-N 3.27Å; E119-M122 HydrophobicContact CG-CE 3.72Å; E119-M122 WeakPolarHBondContact O-CG 3.47Å; M122-K124 VanDerWaalsContact C-N 3.32Å; M122-K124 PolarHBondContact O-N 3.34Å; M122-H126 PolarHBondContact O-N 3.31Å
123M56.4Low59.4Low107 Ų107116.2 Ų116.253%0.52761%0.61SS.*Hα-helixtrans-66.9-35176.4-159.171.371.700111.5E119 E121 V127E119-M123 PolarHBondContact O-N 3.27Å; E121-M123 VanDerWaalsContact C-N 3.3Å; E121-M123 PolarHBondContact O-N 3.15Å; M123-V127 WeakPolarHBondContact O-CG2 3.44Å; M123-V127 PolarHBondContact O-N 2.93Å
124K54.8Low61.4Low154 Ų154115.4 Ų115.467%0.6760%0.597SS**Hα-helixtrans-71.1-39.4-179-135.4172.5-174.2176.40112.9N120 E121 M122 M128N120-K124 WeakPolarHBondContact O-CB 3.44Å; N120-K124 PolarHBondContact O-N 2.71Å; E121-K124 WeakPolarHBondContact O-CB 3.5Å; E121-K124 PolarHBondContact O-N 3.31Å; E121-K124 VanDerWaalsContact O-N 3.12Å; M122-K124 VanDerWaalsContact C-N 3.32Å; M122-K124 PolarHBondContact O-N 3.34Å; K124-M128 PolarHBondContact O-N 3.48Å
125S57.8Low62.9Low64 Ų64113.1 Ų113.145%0.44858%0.578SS.*Hα-helixtrans-59.8-54.4170.6144.10000110.2E121 V127 M128 D129E121-S125 PolarHBondContact O-N 3.36Å; E121-S125 VanDerWaalsContact O-N 3.15Å; S125-V127 VanDerWaalsContact C-N 3.27Å; S125-V127 PolarHBondContact O-N 3.13Å; S125-V127 VanDerWaalsContact O-N 3.15Å; S125-M128 CarbonylContact O-C 3.42Å; S125-M128 WeakPolarHBondContact O-CA 3.46Å; S125-M128 WeakPolarHBondContact O-CB 3.46Å; S125-M128 PolarHBondContact O-N 3.09Å; S125-D129 PolarHBondContact O-N 3.05Å; S125-D129 VanDerWaalsContact O-OD2 3.04Å; S125-D129 PolarHBondContact OG-OD2 3.31Å
126H66.5Low64.5Low122 Ų122110.4 Ų110.457%0.56555%0.554SS**Hα-helixtrans-59.1-36.3-173.5-164.5-41.7000112.9M122 Q130M122-H126 PolarHBondContact O-N 3.31Å; H126-Q130 WeakPolarHBondContact O-CB 3.34Å; H126-Q130 PolarHBondContact O-N 3.47Å
127V69.9Low65.7Low101 Ų101108 Ų10861%0.61256%0.555SS**Hα-helixtrans-69.5-37.2175.2175.30000112M123 S125 A131M123-V127 WeakPolarHBondContact O-CG2 3.44Å; M123-V127 PolarHBondContact O-N 2.93Å; S125-V127 VanDerWaalsContact C-N 3.27Å; S125-V127 PolarHBondContact O-N 3.13Å; S125-V127 VanDerWaalsContact O-N 3.15Å; V127-A131 PolarHBondContact O-N 3.43Å; V127-A131 VanDerWaalsContact O-N 3.11Å
128M67.6Low66.8Low125 Ų125110.5 Ų110.562%0.61656%0.559SS**Hα-helixtrans-67.5-46.6175.5-173.4173.4-6800111.6K124 S125 Q130 A131 I132K124-M128 PolarHBondContact O-N 3.48Å; S125-M128 CarbonylContact O-C 3.42Å; S125-M128 WeakPolarHBondContact O-CA 3.46Å; S125-M128 WeakPolarHBondContact O-CB 3.46Å; S125-M128 PolarHBondContact O-N 3.09Å; M128-Q130 VanDerWaalsContact C-N 3.32Å; M128-Q130 PolarHBondContact O-N 3.25Å; M128-A131 WeakPolarHBondContact O-CB 3.37Å; M128-A131 PolarHBondContact O-N 3.43Å; M128-A131 VanDerWaalsContact O-N 3.15Å; M128-I132 HydrophobicContact CG-CD1 4.06Å; M128-I132 WeakPolarHBondContact O-CG1 3.19Å; M128-I132 PolarHBondContact O-N 3.43Å
129D73.6Confident67.9Low73 Ų73107 Ų10739%0.3955%0.548SS..Hα-helixtrans-63.4-38177.2-66.9-51.2000111.4S125 A131 I132 N133S125-D129 PolarHBondContact O-N 3.05Å; S125-D129 VanDerWaalsContact O-OD2 3.04Å; S125-D129 PolarHBondContact OG-OD2 3.31Å; D129-A131 VanDerWaalsContact C-N 3.35Å; D129-A131 PolarHBondContact O-N 3.35Å; D129-I132 PolarHBondContact O-N 2.88Å; D129-N133 WeakPolarHBondContact O-CB 3.37Å; D129-N133 PolarHBondContact O-N 3.07Å; D129-N133 PolarHBondContact O-ND2 3.33Å
130Q79.7Confident68.8Low94 Ų94101.9 Ų101.944%0.43953%0.532SS..Hα-helixtrans-63.1-39.5173.6-166.27265.100111.9H126 M128 N134H126-Q130 WeakPolarHBondContact O-CB 3.34Å; H126-Q130 PolarHBondContact O-N 3.47Å; M128-Q130 VanDerWaalsContact C-N 3.32Å; M128-Q130 PolarHBondContact O-N 3.25Å; Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 VanDerWaalsContact O-CG 3.3Å; Q130-N134 PolarHBondContact O-N 3.09Å; Q130-N134 PolarHBondContact O-ND2 3.41Å
131A79.9Confident69.6Low60 Ų6099 Ų9950%0.49653%0.525SS..Hα-helixtrans-67.5-41.9176.400000112.1V127 M128 D129 N134 A135V127-A131 PolarHBondContact O-N 3.43Å; V127-A131 VanDerWaalsContact O-N 3.11Å; M128-A131 WeakPolarHBondContact O-CB 3.37Å; M128-A131 PolarHBondContact O-N 3.43Å; M128-A131 VanDerWaalsContact O-N 3.15Å; D129-A131 VanDerWaalsContact C-N 3.35Å; D129-A131 PolarHBondContact O-N 3.35Å; A131-N134 PolarHBondContact O-N 3.32Å; A131-A135 WeakPolarHBondContact O-CB 3.47Å; A131-A135 PolarHBondContact O-N 3.37Å
132I76.7Confident69.9Low85 Ų8598 Ų9844%0.43652%0.52SS..Hα-helixtrans-61.7-49.2176-68.7163.9000110.6M128 D129 N134 A135 I136M128-I132 HydrophobicContact CG-CD1 4.06Å; M128-I132 WeakPolarHBondContact O-CG1 3.19Å; M128-I132 PolarHBondContact O-N 3.43Å; D129-I132 PolarHBondContact O-N 2.88Å; I132-N134 PolarHBondContact O-N 3.41Å; I132-A135 PolarHBondContact O-N 2.96Å; I132-I136 HydrophobicContact CG2-CD1 3.8Å; I132-I136 WeakPolarHBondContact O-CG1 3.11Å; I132-I136 PolarHBondContact O-N 3.34Å
133N79.2Confident69.7Low94 Ų9496.6 Ų96.650%0.50352%0.522SS..Hα-helixtrans-63.4-39.5179-78.3-77.2000112.4D129 I136 N137D129-N133 WeakPolarHBondContact O-CB 3.37Å; D129-N133 PolarHBondContact O-N 3.07Å; D129-N133 PolarHBondContact O-ND2 3.33Å; N133-I136 PolarHBondContact O-N 3.44Å; N133-N137 PolarHBondContact O-N 3.03Å
134N82.5Confident69.6Low94 Ų9495.9 Ų95.950%0.50352%0.52SS..Hα-helixtrans-63.4-40.9173.4-78.6-29.8000112.2Q130 A131 I132 N137 Y138Q130-N134 WeakPolarHBondContact O-CB 3.49Å; Q130-N134 VanDerWaalsContact O-CG 3.3Å; Q130-N134 PolarHBondContact O-N 3.09Å; Q130-N134 PolarHBondContact O-ND2 3.41Å; A131-N134 PolarHBondContact O-N 3.32Å; I132-N134 PolarHBondContact O-N 3.41Å; N134-N137 PolarHBondContact O-N 3.32Å; N134-Y138 WeakPolarHBondContact O-CB 3.41Å; N134-Y138 PolarHBondContact O-N 3.19Å
135A74.3Confident69.8Low42 Ų4295.9 Ų95.935%0.34752%0.515SS..Hα-helixtrans-65-41.2176.600000112.4A131 I132 N137 Y138 L139A131-A135 WeakPolarHBondContact O-CB 3.47Å; A131-A135 PolarHBondContact O-N 3.37Å; I132-A135 PolarHBondContact O-N 2.96Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.2Å; A135-Y138 PolarHBondContact O-N 3.42Å; A135-L139 WeakPolarHBondContact O-CB 3.34Å; A135-L139 WeakPolarHBondContact O-CG 3.35Å; A135-L139 PolarHBondContact O-N 2.77Å
136I77Confident69.4Low60 Ų6098.3 Ų98.331%0.30853%0.529SS..Hα-helixtrans-60.3-43.7174.2-67.5162.2000110.8I132 N133 G140 A141 L144I132-I136 HydrophobicContact CG2-CD1 3.8Å; I132-I136 WeakPolarHBondContact O-CG1 3.11Å; I132-I136 PolarHBondContact O-N 3.34Å; N133-I136 PolarHBondContact O-N 3.44Å; I136-G140 CarbonylContact O-C 3.6Å; I136-G140 VanDerWaalsContact O-CA 3.25Å; I136-G140 WeakPolarHBondContact O-CA 3.34Å; I136-G140 PolarHBondContact O-N 3.44Å; I136-A141 HydrophobicContact CG2-CB 4.19Å; I136-L144 HydrophobicContact CB-CD1 4.43Å; I136-L144 HydrophobicContact CG1-CD1 3.7Å
137N75.3Confident68.4Low145 Ų145100.4 Ų100.478%0.77554%0.544SS*.Hα-helixtrans-68.3-32.8178.3-113.120.6000113.2N133 N134 A135N133-N137 PolarHBondContact O-N 3.03Å; N134-N137 PolarHBondContact O-N 3.32Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.2Å
138Y73.1Confident67.1Low209 Ų209101.3 Ų101.382%0.8255%0.549SS*.Hα-helixtrans-84.2-34.1-176.8-159.1-89.6000113.3N134 A135N134-Y138 WeakPolarHBondContact O-CB 3.41Å; N134-Y138 PolarHBondContact O-N 3.19Å; A135-Y138 PolarHBondContact O-N 3.42Å
139L75.1Confident65.8Low97 Ų97103.8 Ų103.851%0.50856%0.56SS.*Hα-helixtrans-95.6-14.3-179.6-61.4173.3000113.6A135 S143 L144A135-L139 WeakPolarHBondContact O-CB 3.34Å; A135-L139 WeakPolarHBondContact O-CG 3.35Å; A135-L139 PolarHBondContact O-N 2.77Å; L139-S143 WeakPolarHBondContact O-CB 3.36Å; L139-S143 PolarHBondContact O-OG 3.4Å; L139-L144 HydrophobicContact CD1-CD2 4.17Å
140G67.8Low64.3Low30 Ų30106.1 Ų106.131%0.30958%0.577SS.*  trans75.8139.3-16900000112.3I136 E142 S143I136-G140 CarbonylContact O-C 3.6Å; I136-G140 VanDerWaalsContact O-CA 3.25Å; I136-G140 WeakPolarHBondContact O-CA 3.34Å; I136-G140 PolarHBondContact O-N 3.44Å; G140-E142 PolarHBondContact O-N 3.45Å; G140-E142 VanDerWaalsContact O-N 3.07Å; G140-S143 PolarHBondContact O-N 3.35Å; G140-S143 VanDerWaalsContact O-N 3.08Å
141A64.3Low62.3Low59 Ų59107.3 Ų107.349%0.48859%0.592SS.*G310 helixtrans-59.9-20.6178.800000113.8I136 S143I136-A141 HydrophobicContact CG2-CB 4.19Å; A141-S143 VanDerWaalsContact C-N 3.34Å
142E59.5Low60.7Low128 Ų128110.7 Ų110.760%0.59861%0.61SS**G310 helixtrans-64.1-34.3175.6-114.153.7-157.700112.9G140 L144 R145G140-E142 PolarHBondContact O-N 3.45Å; G140-E142 VanDerWaalsContact O-N 3.07Å; E142-L144 PolarHBondContact O-N 2.91Å; E142-R145 VanDerWaalsContact CD-CZ 3.42Å; E142-R145 IonicContact OE1-CZ 3.14Å; E142-R145 IonicContact OE1-NH1 2.7Å; E142-R145 PolarHBondContact OE1-NH1 3.13Å; E142-R145 IonicContact OE1-NH2 2.76Å; E142-R145 PolarHBondContact OE1-NH2 3.31Å; E142-R145 IonicContact OE2-CZ 2.92Å; E142-R145 IonicContact OE2-NH1 3.62Å; E142-R145 IonicContact OE2-NH2 3.01Å; E142-R145 PolarHBondContact OE2-NH2 2.96Å
143S53.7Low58.7Low86 Ų86110.4 Ų110.460%0.60163%0.627SS**G310 helixtrans-81.8-12.3-171.1-56.20000114.2L139 G140 A141L139-S143 WeakPolarHBondContact O-CB 3.36Å; L139-S143 PolarHBondContact O-OG 3.4Å; G140-S143 PolarHBondContact O-N 3.35Å; G140-S143 VanDerWaalsContact O-N 3.08Å; A141-S143 VanDerWaalsContact C-N 3.34Å
144L53.4Low56.7Low92 Ų92109.9 Ų109.948%0.48264%0.644SS.*G310 helixtrans-105.516.5-170.8-63.5174.7000113.4I136 L139 E142 P146I136-L144 HydrophobicContact CB-CD1 4.43Å; I136-L144 HydrophobicContact CG1-CD1 3.7Å; L139-L144 HydrophobicContact CD1-CD2 4.17Å; E142-L144 PolarHBondContact O-N 2.91Å; L144-P146 WeakPolarHBondContact O-CD 3.33Å
145R58.9Low54.4Low153 Ų153111.6 Ų111.658%0.57766%0.663SS**  trans-84.1118.8-179.3-65.2179.1178.4147.47111E142 L147E142-R145 VanDerWaalsContact CD-CZ 3.42Å; E142-R145 IonicContact OE1-CZ 3.14Å; E142-R145 IonicContact OE1-NH1 2.7Å; E142-R145 PolarHBondContact OE1-NH1 3.13Å; E142-R145 IonicContact OE1-NH2 2.76Å; E142-R145 PolarHBondContact OE1-NH2 3.31Å; E142-R145 IonicContact OE2-CZ 2.92Å; E142-R145 IonicContact OE2-NH1 3.62Å; E142-R145 IonicContact OE2-NH2 3.01Å; E142-R145 PolarHBondContact OE2-NH2 2.96Å; R145-L147 PolarHBondContact O-N 3.48Å
146P49.1Very low52.9Low115 Ų115118.3 Ų118.375%0.74769%0.688SS**  trans-62.1135.2172.9-2234.4000111.2L144 V148L144-P146 WeakPolarHBondContact O-CD 3.33Å; P146-V148 PolarHBondContact O-N 2.96Å
147L46.4Very low51.1Low167 Ų167121.9 Ų121.987%0.87471%0.712SS**  trans-79.284.1-175.5-148.582.6000111.2R145 Q149R145-L147 PolarHBondContact O-N 3.48Å; L147-Q149 PolarHBondContact O-N 3.15Å
148V42.9Very low49.4Very low119 Ų119121.4 Ų121.472%0.72171%0.714SS**  trans-77.2105.3178.3-178.80000110.3P146 T150P146-V148 PolarHBondContact O-N 2.96Å; V148-T150 HydrophobicContact CG1-CG2 4.4Å
149Q39.8Very low48.3Very low178 Ų178116.7 Ų116.783%0.83271%0.709SS**PPolyproline II helixtrans-75126.1163.5-71.4-173.8-2.700109.9L147L147-Q149 PolarHBondContact O-N 3.15Å
150T40.9Very low46.5Very low122 Ų122118 Ų11875%0.74872%0.721SS**PPolyproline II helixtrans-99.8129.7172.2450000110.6V148V148-T150 HydrophobicContact CG1-CG2 4.4Å
151P39.4Very low45.1Very low118 Ų118124.1 Ų124.177%0.76675%0.745SS**PPolyproline II helixtrans-71.3141.8169.6-15.730.3000110.9G153P151-G153 PolarHBondContact O-N 3.44Å
152P45.3Very low43.4Very low132 Ų132126.4 Ų126.486%0.85776%0.757SS**  trans-72.9107172.129.1-32.6000110.5
153G34.8Very low43.3Very low78 Ų78125.4 Ų125.480%0.80476%0.762SS**  trans-74.5140.816900000111.6P151P151-G153 PolarHBondContact O-N 3.44Å
154G36.4Very low42.1Very low84 Ų84129 Ų12987%0.86677%0.771SS**  trans-87.8167.7177.500000114
155S34.3Very low41.1Very low129 Ų129134.5 Ų134.590%0.90279%0.787SS**  trans-147.4148161.1-168.70000109.3
156E42.7Very low39.7Very low183 Ų183136.8 Ų136.886%0.85580%0.804SS**  trans-86.9146-172-51.2177132.600112.6
157V39.5Very low38.8Very low136 Ų136137.9 Ų137.982%0.82480%0.803SS**  -152.6140122.4-167.30000108.2
158V40.9Very low38Very low135 Ų135138 Ų13882%0.81880%0.799SS**  trans-127.5123.9171.5171.40000110.5
159P48.6Very low37.7Very low110 Ų110141.7 Ų141.771%0.71481%0.805SS**  trans-145.6161.1130.129.2-10.3000113.2
160V38.2Very low37.7Very low125 Ų125138.8 Ų138.876%0.75880%0.801SS**  cis-167.9172.2-22.3114.60000107.5
161I37.8Very low37.1Very low158 Ų158140.5 Ų140.581%0.8181%0.805SS**  trans85.5135.9177.2-41.4-172.6000116.5
162S29.1Very low36.5Very low107 Ų107139 Ų13975%0.74880%0.802SS**  trans-105.8-156-177.8-490000111.5
163P56.6Low35.8Very low106 Ų106141.9 Ų141.969%0.68881%0.805SS**  -116-178.5-80.236.8-21.9000111.9
164M29.4Very low35.5Very low162 Ų162140.9 Ų140.980%0.79879%0.794SS**  trans167.6158.9133.1-92-73.7104.200112
165Y33Very low35.3Very low207 Ų207143.8 Ų143.881%0.81280%0.795SS**  trans-75.4153.4172.9-59.1-99.5000111.6
166Q28.7Very low35.9Very low202 Ų202142.9 Ų142.994%0.94479%0.787SS**  -163.4168.9116.8-109.9173.524.300113.9
167L30.2Very low35.4Very low137 Ų137145.4 Ų145.472%0.71779%0.788SS**  trans-132.6148.6-168.2175.768.7000109.5
168H29.9Very low34.8Very low171 Ų171143 Ų14379%0.79278%0.777SS**  trans100.1138169-60.9128.3000120.6
169K36.3Very low34.2Very low196 Ų196143 Ų14385%0.85277%0.773SS**  trans-55.4171.1160.5-80.4175.3175.5177.60112.2
170P40.5Very low34Very low116 Ų116146.3 Ų146.375%0.75378%0.778SS**  cis-155.1170.73845.5-24.2000121.8
171L27.7Very low33.6Very low158 Ų158146 Ų14683%0.82778%0.781SS**  trans52.9111.7135-170.271.4000122.6
172A27.4Very low33.4Very low86 Ų86142.2 Ų142.271%0.71177%0.774SS**  trans41.9168.6131.900000121.8
173E29.3Very low33.7Very low193 Ų193144.5 Ų144.590%0.90277%0.773SS**  cis-133176.4-8.1-93.4-149.5124.800106.8
174G29.9Very low32.3Very low57 Ų57145.3 Ų145.359%0.58877%0.772SS**  cis138135.88.200000110.2
175T31.3Very low32.6Very low145 Ų145142.4 Ų142.489%0.8977%0.767SS**  trans-168.5159.21738.70000110.6
176P46.1Very low32.6Very low111 Ų111136.5 Ų136.572%0.72176%0.761SS**  -141.5-166.7-117.738.6-16.2000117.2
177R32.5Very low32.7Very low236 Ų236133.2 Ų133.289%0.89175%0.754SS**  trans95.6140.5167.8-62.4179.6171.4-177.7-3.4116.2
178S28.2Very low32.8Very low84 Ų84134 Ų13459%0.58776%0.755SS**  cis-167.3154.4-10.248.40000112.7
179N27.7Very low32.7Very low135 Ų135131.3 Ų131.372%0.72275%0.746SS**  trans71.6151.5168.5-44.6-32.2000114.5
180H43.4Very low32.7Very low181 Ų181128.8 Ų128.884%0.83874%0.741SS**  cis-132.5178.215.1-62.9-103.4000113
181S30.2Very low32.4Very low117 Ų117129.8 Ų129.882%0.81874%0.739SS**  trans-95.3167.4-166.248.50000116.6
182A34.3Very low32.8Very low79 Ų79127.4 Ų127.465%0.65373%0.727SS**  cis-179161.1-23.400000111.7
183Q35.5Very low32.9Very low155 Ų155131 Ų13172%0.72473%0.733SS**  trans59.4157.2162.6-54.1-41.181.300119.8
184D26.5Very low33Very low124 Ų124126.4 Ų126.466%0.66372%0.723SS**  cis-151.6141.7-20.5-107.3-41.6000105.2
185S35.5Very low33.1Very low101 Ų101131.2 Ų131.271%0.70673%0.727SS**  80.6100.262.3-155.20000116.6
186A32.8Very low33.1Very low83 Ų83128.7 Ų128.769%0.68672%0.721SS**  trans81.2162.2140.100000123.4
187V31.7Very low32.4Very low132 Ų132130.9 Ų130.980%0.872%0.719SS**  trans70.3132.7161.2-58.40000123.4
188E31.3Very low32.2Very low155 Ų155126 Ų12672%0.72471%0.71SS**  trans70.5105.8134.4-76.6-77.797.800122.9
189N29.5Very low32.3Very low114 Ų114127.5 Ų127.561%0.6172%0.715SS**  84.2143.3117.4-119.3-28.5000123.2
190L35.5Very low33Very low143 Ų143126.5 Ų126.575%0.74972%0.716SS**  trans66.5150.2159.5-56.8164.5000120
191L34.2Very low32.2Very low136 Ų136123.8 Ų123.871%0.71272%0.718SS**  cis-173.6142.9-25.7178.158.8000111.5
192L35.5Very low32.4Very low108 Ų108126.7 Ų126.757%0.56572%0.718SS**  trans64.7162.8163.9-78.8164.4000117.1K195L192-K195 HydrophobicContact CD2-CD 4.39Å
193L31Very low32.3Very low161 Ų161134.3 Ų134.384%0.84373%0.73SS**SBendcis-116.8158.6-1.5-73.982.3000109.5
194S31.3Very low32.1Very low98 Ų98135.8 Ų135.869%0.68574%0.737SS**  cis-147.4140.6-1.450.10000107.7
195K30.7Very low32.3Very low158 Ų158134.7 Ų134.769%0.68775%0.745SS**  49.6138.470.1-96.2-172.1174.5-178.40114.2L192 K197L192-K195 HydrophobicContact CD2-CD 4.39Å; K195-K197 HydrophobicContact CG-CG 4.33Å
196A30.8Very low32.4Very low92 Ų92135.6 Ų135.676%0.7675%0.752SS**  cis-118.7155.110.400000111.8
197K32Very low33Very low157 Ų157137.9 Ų137.968%0.68376%0.76SS**  cis67.2143.929.1-68.6-140.9154.3-166.50114.9K195K195-K197 HydrophobicContact CG-CG 4.33Å
198L28.1Very low33.2Very low134 Ų134137 Ų13770%0.70276%0.759SS**  cis-171.1169.9-21.8-92.6-164.6000105
199V29.9Very low33.3Very low114 Ų114137.2 Ų137.269%0.69177%0.765SS**  cis-155.8162.35.999.20000108.1
200P42.8Very low33.5Very low115 Ų115137 Ų13775%0.74777%0.772SS**  trans-78.5171.5173.4-1.319.4000113
201S27.1Very low33.6Very low123 Ų123135.7 Ų135.786%0.8677%0.774SS**  trans-139.7133.7168.3-167.50000111
202E34.1Very low34Very low178 Ų178138.1 Ų138.183%0.83278%0.782SS**  trans-108.7145.8176.5-58.2-174.7150.400110.4
203R33.3Very low33.8Very low239 Ų239139.3 Ų139.390%0.90279%0.789SS**  trans179.4124.5142.1-101.4157.9-172.1-153-0.5112.8
204E31.4Very low34.8Very low186 Ų186136.7 Ų136.787%0.86978%0.784SS**  25.7109129.9-61.6-69.2101.800118.6
205A28.8Very low35.5Very low101 Ų101138 Ų13884%0.83579%0.788SS**  trans179.1135.513000000112.9
206S37.8Very low36.3Very low121 Ų121137.7 Ų137.785%0.84679%0.794SS**  trans-106.8146.9157.6-62.20000109.4
207P46.6Very low37.2Very low131 Ų131139.4 Ų139.485%0.85180%0.795SS**  -144.2172.1123.336.9-22.3000114.7
208S36.3Very low37.8Very low113 Ų113140 Ų14079%0.7980%0.8SS**  trans-102.5152.1-166.6-34.30000115.2
209N32.3Very low38.2Very low160 Ų160139.8 Ų139.886%0.85681%0.81SS**  trans171171.8143.760.762.9000108.8
210S34.5Very low38.7Very low108 Ų108140.7 Ų140.776%0.75581%0.811SS**  cis-146.2164.5-8.2-163.50000109.9
211C37.8Very low38.3Very low116 Ų116142.8 Ų142.878%0.78482%0.815SS**  trans-91.1147.3174.1-51.20000113.1
212Q41.6Very low38.9Very low188 Ų188144.2 Ų144.288%0.87981%0.809SS**  trans-152.4131141.1-63.5-164.7-200104.6
213D31.5Very low39Very low133 Ų133143.1 Ų143.171%0.71180%0.803SS**  cis70.5116.429.4-162.127.6000115.3
214S51.3Low39.2Very low105 Ų105138.4 Ų138.473%0.73479%0.792SS**  trans-156.4119.8171.8-71.30000108.5
215T46.4Very low39.4Very low126 Ų126140.5 Ų140.577%0.77379%0.792SS**  trans-133.6132.3166.3360000108.9
216D47.7Very low39.5Very low151 Ų151141.7 Ų141.781%0.80779%0.794SS**  trans-144.9158.1179.243-74.6000111
217T50.8Low39.2Very low128 Ų128139.4 Ų139.479%0.78579%0.789SS**  trans-133.8153.4-135.4-29.40000113.3
218E42.8Very low38.8Very low171 Ų171141.4 Ų141.480%0.79979%0.792SS**  trans22125.8152-171178.9121.600120
219S37.2Very low38.7Very low128 Ų128143.4 Ų143.490%0.89579%0.792SS**  trans-149.1115.2143.7-63.30000110.2
220N40.7Very low38.7Very low134 Ų134145.5 Ų145.572%0.71779%0.789SS**  trans-102.1151.1167.2-17738.3000109.6
221N35.3Very low39Very low158 Ų158147 Ų14785%0.84579%0.788SS**  trans-152.4149.2167.2-162.28.2000110.7
222E39.1Very low38.7Very low153 Ų153147.6 Ų147.672%0.71579%0.789SS**  trans-115170.6-159.9-64.1-150.384.400115.7
223E37Very low38.8Very low155 Ų155146 Ų14672%0.72479%0.786SS**  trans89.8156.3138.7-125.3-166.492.200121.6
224Q36.2Very low39.1Very low141 Ų141148.5 Ų148.566%0.65979%0.793SS**  trans70.580.8159.8-59.6177.821.300120.9
225R35.8Very low38.3Very low230 Ų230151.6 Ų151.687%0.86880%0.799SS**  -166.4135.793.4-108.2175-175.575.50.6115.3
226S30.6Very low37.7Very low126 Ų126149.8 Ų149.888%0.88180%0.797SS**  trans-87.5149.6163.2-43.20000110.4
227G31.6Very low37.2Very low72 Ų72148.2 Ų148.274%0.74280%0.795SS**  trans163.538169.900000123.2
228L38.4Very low36.4Very low173 Ų173151 Ų15191%0.90680%0.799SS**  trans61.3160.8153-62.1171000122.2
229I35.2Very low36.2Very low155 Ų155146.9 Ų146.980%0.79579%0.794SS**  trans104.7105.8153.3-54.1-166.2000119
230Y32.3Very low36Very low205 Ų205152.7 Ų152.780%0.80480%0.797SS**  trans65.2117.7150-104.6-123.8000123.6
231L39.3Very low36Very low138 Ų138154.6 Ų154.672%0.72381%0.807SS**  trans27.2117.7139-57.6178.9000120.6
232T32.2Very low36.1Very low130 Ų130150.2 Ų150.280%0.79880%0.799SS**  177.3147109.6-74.20000111.1H234T232-H234 PolarHBondContact O-N 3.38Å
233N43.5Very low36.5Very low153 Ų153151.8 Ų151.882%0.81881%0.811SS**  trans-70.3117.4-179.4-72.5-22.6000113.2
234H37.3Very low36.7Very low186 Ų186148 Ų14886%0.86180%0.802SS**  trans-154.5119.6147.6-84.3-64.9000110.4T232T232-H234 PolarHBondContact O-N 3.38Å
235I34.9Very low37.3Very low170 Ų170149.1 Ų149.187%0.87281%0.812SS**  trans-125.9115166.7-62.1178.3000107.9
236A33.7Very low37.8Very low88 Ų88144.6 Ų144.673%0.72780%0.798SS**  trans-103.2128.2169.600000109.3H238A236-H238 PolarHBondContact O-N 3.48Å
237P37.6Very low38.2Very low118 Ų118145.7 Ų145.777%0.76679%0.79SS**  trans-88.892.6-177.533.1-33.3000112.7
238H34.9Very low38.7Very low186 Ų186149.2 Ų149.286%0.86179%0.787SS**  trans-134.4140.4159.4-72.2-26.1000109A236A236-H238 PolarHBondContact O-N 3.48Å
239A36.8Very low39Very low85 Ų85148 Ų14870%0.70278%0.776SS**  cis-158.8147.6-21.800000107.6
240R34.5Very low39.5Very low251 Ų251147.8 Ų147.895%0.94777%0.765SS**  trans-139.9136.5162.4-85-162.7164.3-166.2-6.1110.5
241N39.8Very low40.2Very low173 Ų173139.9 Ų139.993%0.92574%0.742SS**  trans-78.5130.2-171.9-64.6-20.7000111.1
242G37Very low40.6Very low67 Ų67141.8 Ų141.869%0.69174%0.741SS**  trans-131.1132.8162.500000107.8S244G242-S244 PolarHBondContact O-N 2.95Å
243L47.9Very low41.4Very low185 Ų185139 Ų13997%0.96972%0.721SS**  trans-62.1132.5-168.8-64.6168.5000111.3
244S40.8Very low41.9Very low76 Ų76137.3 Ų137.353%0.53171%0.712SS.*  trans-99.7113.1-171.6-159.30000111.8G242 K246 E247G242-S244 PolarHBondContact O-N 2.95Å; S244-K246 PolarHBondContact O-N 3.5Å; S244-K246 WeakPolarHBondContact OG-CB 3.25Å; S244-E247 PolarHBondContact O-N 2.79Å
245L48.3Very low42.8Very low164 Ų164134.1 Ų134.186%0.85970%0.7SS**THydrogen-bonded Turntrans-58.2-2.6168-76.9165.9000114.1E247L245-E247 PolarHBondContact O-N 2.95Å
246K46.2Very low43.7Very low135 Ų135132.2 Ų132.259%0.58768%0.682SS**Hα-helixtrans-73.6-9171.4-156.4164.8-171.7167.30113.3S244 R250S244-K246 PolarHBondContact O-N 3.5Å; S244-K246 WeakPolarHBondContact OG-CB 3.25Å; K246-R250 PolarHBondContact O-N 2.83Å
247E40.4Very low44.3Very low149 Ų149130.5 Ų130.570%0.69667%0.668SS**Hα-helixtrans-77.2-40.4177.5-167.4152.6-158.900112.6S244 L245 R250 A251S244-E247 PolarHBondContact O-N 2.79Å; L245-E247 PolarHBondContact O-N 2.95Å; E247-R250 CarbonylContact O-C 3.47Å; E247-R250 WeakPolarHBondContact O-CA 3.21Å; E247-R250 WeakPolarHBondContact O-CB 3.45Å; E247-R250 PolarHBondContact O-N 2.84Å; E247-R250 VanDerWaalsContact O-N 3.11Å; E247-A251 PolarHBondContact O-N 3.43Å
248E40.8Very low44.6Very low146 Ų146127.8 Ų127.868%0.68266%0.656SS**Hα-helixtrans-57.3-50.6173.7-92.7-75.2107.900112.7R250 A251 Y252E248-R250 PolarHBondContact O-N 2.89Å; E248-A251 WeakPolarHBondContact O-CB 3.37Å; E248-A251 PolarHBondContact O-N 2.87Å; E248-A251 VanDerWaalsContact O-N 3.09Å; E248-Y252 PolarHBondContact O-N 2.96Å
249H44.6Very low45.3Very low147 Ų147122.3 Ų122.368%0.68164%0.639SS**Hα-helixtrans-60-36.8175.3-108.9-120.1000112Y252 D253H249-Y252 PolarHBondContact O-N 3.44Å; H249-D253 PolarHBondContact O-N 2.74Å
250R45.8Very low45.9Very low151 Ų151123 Ų12357%0.5763%0.627SS**Hα-helixtrans-71.7-33.4174.4-85.5-175.4167.8142.2-7.1113K246 E247 E248 Y252 D253 L254K246-R250 PolarHBondContact O-N 2.83Å; E247-R250 CarbonylContact O-C 3.47Å; E247-R250 WeakPolarHBondContact O-CA 3.21Å; E247-R250 WeakPolarHBondContact O-CB 3.45Å; E247-R250 PolarHBondContact O-N 2.84Å; E247-R250 VanDerWaalsContact O-N 3.11Å; E248-R250 PolarHBondContact O-N 2.89Å; R250-Y252 VanDerWaalsContact C-N 3.3Å; R250-D253 PolarHBondContact O-N 3.37Å; R250-L254 WeakPolarHBondContact O-CB 3.07Å; R250-L254 WeakPolarHBondContact O-CD1 3.36Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 2.7Å
251A48.5Very low46.4Very low39 Ų39118.6 Ų118.632%0.32262%0.622SS.*Hα-helixtrans-61.4-43.7172.600000109.6E247 E248 L254 L255E247-A251 PolarHBondContact O-N 3.43Å; E248-A251 WeakPolarHBondContact O-CB 3.37Å; E248-A251 PolarHBondContact O-N 2.87Å; E248-A251 VanDerWaalsContact O-N 3.09Å; A251-L254 PolarHBondContact O-N 3.41Å; A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.47Å; A251-L255 WeakPolarHBondContact O-CD1 3.48Å; A251-L255 WeakPolarHBondContact O-CG 3.4Å; A251-L255 PolarHBondContact O-N 3.42Å
252Y46.2Very low46.9Very low179 Ų179114.6 Ų114.670%0.70261%0.608SS**Hα-helixtrans-64.7-43.8176.1-145.5-88.8000113E248 H249 R250 R256E248-Y252 PolarHBondContact O-N 2.96Å; H249-Y252 PolarHBondContact O-N 3.44Å; R250-Y252 VanDerWaalsContact C-N 3.3Å; Y252-R256 PolarHBondContact O-N 2.75Å
253D49.9Very low47.8Very low71 Ų71116.9 Ų116.938%0.3860%0.601SS.*Hα-helixtrans-66.2-35.8174-83.9-43.8000113.1H249 R250 R256 A257H249-D253 PolarHBondContact O-N 2.74Å; R250-D253 PolarHBondContact O-N 3.37Å; D253-R256 PolarHBondContact O-N 2.95Å; D253-R256 IonicContact OD1-CZ 2.73Å; D253-R256 IonicContact OD1-NH1 3.19Å; D253-R256 PolarHBondContact OD1-NH1 3.12Å; D253-R256 IonicContact OD1-NH2 2.71Å; D253-R256 PolarHBondContact OD1-NH2 3.11Å; D253-A257 PolarHBondContact O-N 3.3Å
254L53.4Low47.9Very low117 Ų117115.1 Ų115.161%0.61359%0.592SS**Hα-helixtrans-74.5-34.8177.5-75.7166.5000112.2R250 A251 R256 A257 A258R250-L254 WeakPolarHBondContact O-CB 3.07Å; R250-L254 WeakPolarHBondContact O-CD1 3.36Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 2.7Å; A251-L254 PolarHBondContact O-N 3.41Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-A257 PolarHBondContact O-N 2.98Å; L254-A258 WeakPolarHBondContact O-CB 3.29Å; L254-A258 PolarHBondContact O-N 3.07Å
255L57.2Low48.6Very low119 Ų119115.9 Ų115.962%0.62360%0.603SS**Hα-helixtrans-64.8-40.4169.4-73.2166.3000110.4A251 A257 A258 S259A251-L255 VanDerWaalsContact O-CB 3.3Å; A251-L255 WeakPolarHBondContact O-CB 3.47Å; A251-L255 WeakPolarHBondContact O-CD1 3.48Å; A251-L255 WeakPolarHBondContact O-CG 3.4Å; A251-L255 PolarHBondContact O-N 3.42Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 2.97Å; L255-A258 PolarHBondContact O-N 2.81Å; L255-S259 WeakPolarHBondContact O-CB 3.43Å; L255-S259 PolarHBondContact O-N 3.36Å
256R52.7Low49.3Very low130 Ų130113.3 Ų113.349%0.49159%0.59SS.*Hα-helixtrans-61.9-38.8172-165.417969.7-117.1-11.6112Y252 D253 L254 S259Y252-R256 PolarHBondContact O-N 2.75Å; D253-R256 PolarHBondContact O-N 2.95Å; D253-R256 IonicContact OD1-CZ 2.73Å; D253-R256 IonicContact OD1-NH1 3.19Å; D253-R256 PolarHBondContact OD1-NH1 3.12Å; D253-R256 IonicContact OD1-NH2 2.71Å; D253-R256 PolarHBondContact OD1-NH2 3.11Å; L254-R256 VanDerWaalsContact C-N 3.34Å; R256-S259 WeakPolarHBondContact O-CB 3.47Å
257A46.6Very low50.4Low52 Ų52115 Ų11543%0.4359%0.592SS.*Hα-helixtrans-70.2-38.517500000113D253 L254 L255 S259 E260D253-A257 PolarHBondContact O-N 3.3Å; L254-A257 PolarHBondContact O-N 2.98Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 2.97Å; A257-S259 VanDerWaalsContact C-N 3.3Å; A257-S259 PolarHBondContact O-N 2.88Å; A257-E260 PolarHBondContact O-N 2.92Å
258A43.8Very low52.1Low62 Ų62110.3 Ų110.351%0.51257%0.574SS.*Hα-helixtrans-65.6-33.5176.200000112.3L254 L255 E260 N261L254-A258 WeakPolarHBondContact O-CB 3.29Å; L254-A258 PolarHBondContact O-N 3.07Å; L255-A258 PolarHBondContact O-N 2.81Å; A258-E260 PolarHBondContact O-N 3.2Å; A258-N261 PolarHBondContact O-N 3.49Å
259S50.9Low54Low71 Ų71107.1 Ų107.150%0.49756%0.564SS.*Hα-helixtrans-60.1-26.4175.1-1660000113.2L255 R256 A257 N261 S262L255-S259 WeakPolarHBondContact O-CB 3.43Å; L255-S259 PolarHBondContact O-N 3.36Å; R256-S259 WeakPolarHBondContact O-CB 3.47Å; A257-S259 VanDerWaalsContact C-N 3.3Å; A257-S259 PolarHBondContact O-N 2.88Å; S259-N261 PolarHBondContact O-N 2.65Å; S259-S262 PolarHBondContact O-N 3.07Å
260E48.8Very low55.5Low100 Ų100101.5 Ų101.547%0.46754%0.541SS..G310 helixtrans-69-19-179.8-51.5-15913500112.9A257 A258 S262 Q263 K277A257-E260 PolarHBondContact O-N 2.92Å; A258-E260 PolarHBondContact O-N 3.2Å; E260-S262 VanDerWaalsContact C-N 3.31Å; E260-S262 PolarHBondContact O-N 2.96Å; E260-Q263 WeakPolarHBondContact O-CG 3.49Å; E260-K277 IonicContact OE1-NZ 2.67Å; E260-K277 PolarHBondContact OE1-NZ 3.37Å
261N44.5Very low56.9Low157 Ų157101.8 Ų101.884%0.8456%0.56SS**G310 helixtrans-83.95.6175.8-73.9-14.9000114.5A258 S259A258-N261 PolarHBondContact O-N 3.49Å; S259-N261 PolarHBondContact O-N 2.65Å
262S49.8Very low58.3Low89 Ų89103.2 Ų103.262%0.62257%0.568SS**G310 helixtrans-11827.8176.5-156.30000112.9S259 E260 D264S259-S262 PolarHBondContact O-N 3.07Å; E260-S262 VanDerWaalsContact C-N 3.31Å; E260-S262 PolarHBondContact O-N 2.96Å; S262-D264 PolarHBondContact O-N 3.42Å
263Q56.2Low59.7Low116 Ų11697.2 Ų97.254%0.54256%0.56SS.*  trans-74.340.4174.5-76.5-86.3-48.400112.9E260 A265E260-Q263 WeakPolarHBondContact O-CG 3.49Å; Q263-A265 PolarHBondContact O-N 3.03Å
264D50.2Low61Low148 Ų148100.1 Ų100.179%0.79157%0.572SS**  trans-75.5128.6-174-143.7-11.6000111.8S262 L266S262-D264 PolarHBondContact O-N 3.42Å; D264-L266 PolarHBondContact O-N 3.17Å; D264-L266 VanDerWaalsContact O-N 3.07Å
265A56.6Low62Low91 Ų91100.8 Ų100.875%0.75257%0.572SS**SBendtrans60-5.4173.400000121.7Q263Q263-A265 PolarHBondContact O-N 3.03Å
266L63Low63.1Low111 Ų11199.4 Ų99.458%0.58156%0.563SS**  trans-122.990-176.2-68.5177.7000115.1D264D264-L266 PolarHBondContact O-N 3.17Å; D264-L266 VanDerWaalsContact O-N 3.07Å
267R69.2Low64.5Low169 Ų16998.3 Ų98.364%0.63856%0.562SS**  trans-97.2108172.5-44.7-168.688.6-114.4-4.3110.3Q275R267-Q275 VanDerWaalsContact NH1-OE1 3.14Å
268V75Confident66.5Low51 Ų5196.7 Ų96.731%0.30955%0.547SS..  trans-84.1129176.1177.40000110.2M276 V278 L289V268-M276 PolarHBondContact O-N 3.22Å; V268-V278 HydrophobicContact CB-CG1 3.89Å; V268-V278 HydrophobicContact CG1-CG1 4.41Å; V268-V278 HydrophobicContact CG2-CG1 3.7Å; V268-V278 HydrophobicContact CG2-CG2 4.46Å; V268-L289 HydrophobicContact CG1-CD2 4.22Å
269V80.2Confident68.7Low79 Ų7996.5 Ų96.548%0.47953%0.533SS..BIsolated β-bridgetrans-122.7132.9-176.8-177.60000108.7G273 E274V269-G273 VanDerWaalsContact CG1-C 3.45Å; V269-G273 WeakPolarHBondContact CG1-O 3.49Å; V269-E274 CarbonylContact C-O 3.57Å; V269-E274 WeakPolarHBondContact CA-O 3.44Å
270S76.4Confident70.7Confident29 Ų2998.7 Ų98.720%0.20353%0.534CS..  trans-64.7162.2175.4178.60000111.6S272 G273 E274S270-S272 VanDerWaalsContact CB-OG 3.22Å; S270-S272 WeakPolarHBondContact CB-OG 3.36Å; S270-S272 PolarHBondContact O-N 2.86Å; S270-S272 VanDerWaalsContact O-N 3.15Å; S270-S272 PolarHBondContact OG-N 3.32Å; S270-S272 PolarHBondContact OG-OG 3.43Å; S270-G273 PolarHBondContact O-N 3.41Å; S270-E274 WeakPolarHBondContact CB-O 3.41Å; S270-E274 PolarHBondContact N-O 3.01Å
271T75.1Confident72.8Confident157 Ų15794 Ų9496%0.96351%0.511SS*.THydrogen-bonded Turntrans-60.8-18.1167.5510000112.9G273T271-G273 VanDerWaalsContact C-N 3.32Å
272S78.1Confident74.9Confident70 Ų7093.5 Ų93.549%0.4950%0.504SS..THydrogen-bonded Turntrans-78.7-4.8170.255.30000114.8S270 E274S270-S272 VanDerWaalsContact CB-OG 3.22Å; S270-S272 WeakPolarHBondContact CB-OG 3.36Å; S270-S272 PolarHBondContact O-N 2.86Å; S270-S272 VanDerWaalsContact O-N 3.15Å; S270-S272 PolarHBondContact OG-N 3.32Å; S270-S272 PolarHBondContact OG-OG 3.43Å; S272-E274 VanDerWaalsContact C-N 3.26Å; S272-E274 WeakPolarHBondContact CB-OE2 3.46Å; S272-E274 PolarHBondContact O-N 3.48Å; S272-E274 PolarHBondContact OG-OE2 3.09Å
273G75.3Confident76.9Confident53 Ų5393.2 Ų93.255%0.54649%0.493SS..SBendtrans81.4-1.7-173.200000114.6V269 S270 T271V269-G273 VanDerWaalsContact CG1-C 3.45Å; V269-G273 WeakPolarHBondContact CG1-O 3.49Å; S270-G273 PolarHBondContact O-N 3.41Å; T271-G273 VanDerWaalsContact C-N 3.32Å
274E77.2Confident78.5Confident132 Ų13287.7 Ų87.762%0.61747%0.467SS*.PPolyproline II helixtrans-79.2145.5179.4-64.9169.5117.500112.2V269 S270 S272V269-E274 CarbonylContact C-O 3.57Å; V269-E274 WeakPolarHBondContact CA-O 3.44Å; S270-E274 WeakPolarHBondContact CB-O 3.41Å; S270-E274 PolarHBondContact N-O 3.01Å; S272-E274 VanDerWaalsContact C-N 3.26Å; S272-E274 WeakPolarHBondContact CB-OE2 3.46Å; S272-E274 PolarHBondContact O-N 3.48Å; S272-E274 PolarHBondContact OG-OE2 3.09Å
275Q76.1Confident80.4Confident131 Ų13188.9 Ų88.961%0.61246%0.461SS*.BIsolated β-bridgetrans-85.4117.7-177.8-60.6171.825.800110R267R267-Q275 VanDerWaalsContact NH1-OE1 3.14Å
276M78.8Confident81.9Confident90 Ų9086.9 Ų86.944%0.44344%0.439SS..PPolyproline II helixtrans-91.3134.1178-76.1-173.1167.700111.2V268 V278 L289V268-M276 PolarHBondContact O-N 3.22Å; M276-V278 PolarHBondContact O-N 3.4Å; M276-L289 HydrophobicContact CB-CD2 4.19Å; M276-L289 HydrophobicContact SD-CD1 4.27Å; M276-L289 HydrophobicContact SD-CD2 3.95Å
277K82.4Confident83.3Confident106 Ų10685.4 Ų85.446%0.46143%0.431SS..  trans-72.9112.2170.8-173.4163.3-170.51600109.2E260 Y279E260-K277 IonicContact OE1-NZ 2.67Å; E260-K277 PolarHBondContact OE1-NZ 3.37Å; K277-Y279 HydrophobicContact CD-CE1 4.32Å; K277-Y279 HydrophobicContact CG-CE1 4.26Å
278V88.8Confident84.4Confident19 Ų1979.2 Ų79.212%0.11541%0.409CS..  trans-92.1142.2173.8-81.50000111.7V268 M276 F288 L289V268-V278 HydrophobicContact CB-CG1 3.89Å; V268-V278 HydrophobicContact CG1-CG1 4.41Å; V268-V278 HydrophobicContact CG2-CG1 3.7Å; V268-V278 HydrophobicContact CG2-CG2 4.46Å; M276-V278 PolarHBondContact O-N 3.4Å; V278-F288 WeakPolarHBondContact CA-O 3.46Å; V278-L289 HydrophobicContact CG1-CD2 3.85Å
279Y91Very high85.1Confident58 Ų5882 Ų8223%0.22742%0.421CS..EExtended strand (participates in β ladder)trans-108.6127.9172.6-53.7-82000108.8K277 L287 F288 H291 Y294K277-Y279 HydrophobicContact CD-CE1 4.32Å; K277-Y279 HydrophobicContact CG-CE1 4.26Å; Y279-L287 CarbonylContact O-C 3.56Å; Y279-L287 WeakPolarHBondContact O-CA 3.31Å; Y279-F288 PolarHBondContact N-O 3.01Å; Y279-F288 PolarHBondContact O-N 2.83Å; Y279-H291 AromaticContact CD1-CD2 3.99Å; Y279-H291 HydrophobicContact CD2-CB 4.35Å; Y279-H291 HydrophobicContact CE1-CB 4.36Å; Y279-H291 AromaticContact CE1-CD2 3.63Å; Y279-H291 HydrophobicContact CE2-CB 3.88Å; Y279-Y294 HydrophobicContact CG-CD1 4.44Å; Y279-Y294 HydrophobicContact CG-CG 4.33Å
280K91.5Very high85.7Confident117 Ų11781.4 Ų81.451%0.50942%0.416SS..EExtended strand (participates in β ladder)trans-111.8123.1-173.2175.8-177.8168.2-165.80109.5E282 L287 Y294K280-E282 PolarHBondContact O-N 3.21Å; K280-L287 HydrophobicContact CB-CD2 3.7Å; K280-L287 HydrophobicContact CD-CD2 4.4Å; K280-L287 HydrophobicContact CG-CD2 3.87Å; K280-Y294 WeakPolarHBondContact O-CE2 3.25Å
281C93Very high86.3Confident0 Ų084 Ų840%042%0.424CS..  trans-67.3128.1166.3171.10000109.6H283 C284 R285 V286 F288 H297 M298 H301C281-H283 PolarHBondContact SG-N 3.37Å; C281-H283 VanDerWaalsContact SG-N 3.43Å; C281-C284 PolarHBondContact SG-N 2.87Å; C281-C284 PolarHBondContact SG-SG 3.06Å; C281-R285 WeakPolarHBondContact O-CA 3.44Å; C281-R285 PolarHBondContact O-N 3.42Å; C281-R285 VanDerWaalsContact O-N 3.09Å; C281-V286 PolarHBondContact N-O 3.4Å; C281-F288 HydrophobicContact CB-CE2 4.36Å; C281-H297 VanDerWaalsContact CB-NE2 3.33Å; C281-H297 WeakPolarHBondContact CB-NE2 3.3Å; C281-H297 PolarHBondContact SG-NE2 2.81Å; C281-M298 HydrophobicContact CB-CE 3.68Å; C281-M298 WeakPolarHBondContact SG-CE 3.32Å; C281-H301 PolarHBondContact SG-NE2 2.85Å; C281-H301 VanDerWaalsContact SG-NE2 3.41Å
282E90Very high87.2Confident148 Ų14880.5 Ų80.569%0.69240%0.402SS*.THydrogen-bonded Turntrans-75.1-36.9178.4-58.1-158135.700112K280K280-E282 PolarHBondContact O-N 3.21Å
283H90.1Very high87.9Confident83 Ų8381.9 Ų81.938%0.38440%0.402SS..THydrogen-bonded Turntrans-68.7-58.9-176.1-49.2-54.9000112.9C281 H301 P306C281-H283 PolarHBondContact SG-N 3.37Å; C281-H283 VanDerWaalsContact SG-N 3.43Å; H283-H301 AromaticContact CD2-CD2 3.73Å; H283-H301 AromaticContact CD2-CG 3.9Å; H283-H301 AromaticContact CD2-NE2 3.89Å; H283-P306 HydrophobicContact CB-CB 3.84Å
284C89.8Confident88.8Confident0 Ų082 Ų820%039%0.387CS..THydrogen-bonded Turntrans-100.4-6.1-177.871.90000114.5C281 V286 H297 R319C281-C284 PolarHBondContact SG-N 2.87Å; C281-C284 PolarHBondContact SG-SG 3.06Å; C284-V286 VanDerWaalsContact C-N 3.27Å; C284-V286 PolarHBondContact O-N 3.47Å; C284-V286 VanDerWaalsContact SG-CG2 3.5Å; C284-H297 VanDerWaalsContact SG-CE1 3.51Å; C284-H297 PolarHBondContact SG-NE2 2.98Å; C284-R319 HydrophobicContact CB-CB 3.89Å; C284-R319 PolarHBondContact O-NH1 2.72Å
285R90Very high89.6Confident173 Ų17379.1 Ų79.165%0.65338%0.378SS*.  trans64.422.4177.2-49.9179.7-175.2175.71.7115.3C281C281-R285 WeakPolarHBondContact O-CA 3.44Å; C281-R285 PolarHBondContact O-N 3.42Å; C281-R285 VanDerWaalsContact O-N 3.09Å
286V89.9Confident90.4Very high48 Ų4877.6 Ų77.629%0.29137%0.373SS..  trans-73.6144.4169.9178.20000110C281 C284 F288C281-V286 PolarHBondContact N-O 3.4Å; C284-V286 VanDerWaalsContact C-N 3.27Å; C284-V286 PolarHBondContact O-N 3.47Å; C284-V286 VanDerWaalsContact SG-CG2 3.5Å; V286-F288 HydrophobicContact CB-CE2 3.85Å; V286-F288 HydrophobicContact CB-CZ 4.11Å; V286-F288 HydrophobicContact CG1-CD2 4.27Å; V286-F288 HydrophobicContact CG1-CE1 4.2Å; V286-F288 HydrophobicContact CG1-CE2 3.54Å; V286-F288 HydrophobicContact CG1-CZ 3.5Å
287L91.9Very high91.1Very high81 Ų8174 Ų7442%0.42436%0.355SS..EExtended strand (participates in β ladder)trans-106.5137.1177.2-61.2177.9000110.5Y279 K280Y279-L287 CarbonylContact O-C 3.56Å; Y279-L287 WeakPolarHBondContact O-CA 3.31Å; K280-L287 HydrophobicContact CB-CD2 3.7Å; K280-L287 HydrophobicContact CD-CD2 4.4Å; K280-L287 HydrophobicContact CG-CD2 3.87Å
288F91.1Very high91.6Very high39 Ų3971.4 Ų71.417%0.17135%0.346CS..EExtended strand (participates in β ladder)trans-123.9139.4178.8-59.7-93.4000109.9V278 Y279 C281 V286 M293 Y294 H297V278-F288 WeakPolarHBondContact CA-O 3.46Å; Y279-F288 PolarHBondContact N-O 3.01Å; Y279-F288 PolarHBondContact O-N 2.83Å; C281-F288 HydrophobicContact CB-CE2 4.36Å; V286-F288 HydrophobicContact CB-CE2 3.85Å; V286-F288 HydrophobicContact CB-CZ 4.11Å; V286-F288 HydrophobicContact CG1-CD2 4.27Å; V286-F288 HydrophobicContact CG1-CE1 4.2Å; V286-F288 HydrophobicContact CG1-CE2 3.54Å; V286-F288 HydrophobicContact CG1-CZ 3.5Å; F288-M293 HydrophobicContact CD1-CB 3.94Å; F288-Y294 HydrophobicContact CD2-CD2 4.03Å; F288-H297 HydrophobicContact CE1-CB 4.06Å; F288-H297 HydrophobicContact CE2-CB 4.27Å; F288-H297 AromaticContact CE2-CD2 3.21Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.31Å; F288-H297 AromaticContact CE2-CG 3.83Å; F288-H297 AromaticContact CE2-NE2 3.8Å; F288-H297 HydrophobicContact CZ-CB 3.67Å; F288-H297 AromaticContact CZ-CD2 3.25Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.33Å; F288-H297 AromaticContact CZ-CG 3.36Å; F288-H297 AromaticContact CZ-NE2 3.85Å
289L91.3Very high91.8Very high109 Ų10972.4 Ų72.457%0.57136%0.36SS*.SBendtrans-86-20.5172.8-62.7173000112.3V268 M276 V278V268-L289 HydrophobicContact CG1-CD2 4.22Å; M276-L289 HydrophobicContact CB-CD2 4.19Å; M276-L289 HydrophobicContact SD-CD1 4.27Å; M276-L289 HydrophobicContact SD-CD2 3.95Å; V278-L289 HydrophobicContact CG1-CD2 3.85Å
290D91.4Very high91.9Very high67 Ų6770 Ų7036%0.35835%0.352SS..  trans-111.4134.2-180170.933.7000111.1V292 M293 Y294D290-V292 VanDerWaalsContact C-N 3.33Å; D290-V292 VanDerWaalsContact CG-N 3.32Å; D290-V292 PolarHBondContact OD1-N 3.07Å; D290-V292 WeakPolarHBondContact OD2-CB 3.46Å; D290-V292 PolarHBondContact OD2-N 2.88Å; D290-M293 HydrophobicContact CB-CB 4.26Å; D290-M293 HydrophobicContact CB-CG 4.19Å; D290-M293 WeakPolarHBondContact OD2-CG 3.42Å; D290-M293 PolarHBondContact OD2-N 2.8Å; D290-Y294 WeakPolarHBondContact O-CB 3.39Å; D290-Y294 PolarHBondContact O-N 3.1Å; D290-Y294 VanDerWaalsContact O-N 3.08Å
291H90.3Very high92Very high83 Ų8365 Ų6538%0.38433%0.33SS..Hα-helixtrans-67.4-32.5175.4-174.2-84.6000112Y279 Y294 T295Y279-H291 AromaticContact CD1-CD2 3.99Å; Y279-H291 HydrophobicContact CD2-CB 4.35Å; Y279-H291 HydrophobicContact CE1-CB 4.36Å; Y279-H291 AromaticContact CE1-CD2 3.63Å; Y279-H291 HydrophobicContact CE2-CB 3.88Å; H291-Y294 PolarHBondContact O-N 3.5Å; H291-T295 PolarHBondContact CE1-OG1 3.08Å; H291-T295 VanDerWaalsContact CE1-OG1 3.3Å; H291-T295 PolarHBondContact ND1-OG1 2.72Å; H291-T295 WeakPolarHBondContact O-CB 3.34Å; H291-T295 PolarHBondContact O-N 2.8Å; H291-T295 PolarHBondContact O-OG1 2.98Å
292V93.8Very high91.9Very high83 Ų8365.5 Ų65.550%0.50334%0.335SS..Hα-helixtrans-69.8-48.3179.3-173.40000109.9D290 Y294 T295 I296D290-V292 VanDerWaalsContact C-N 3.33Å; D290-V292 VanDerWaalsContact CG-N 3.32Å; D290-V292 PolarHBondContact OD1-N 3.07Å; D290-V292 WeakPolarHBondContact OD2-CB 3.46Å; D290-V292 PolarHBondContact OD2-N 2.88Å; V292-Y294 VanDerWaalsContact C-N 3.32Å; V292-Y294 PolarHBondContact O-N 3Å; V292-T295 PolarHBondContact O-N 3.26Å; V292-T295 VanDerWaalsContact O-N 3.17Å; V292-I296 HydrophobicContact CG1-CD1 3.96Å; V292-I296 WeakPolarHBondContact O-CG1 3.38Å; V292-I296 PolarHBondContact O-N 3.21Å
293M93.1Very high91.7Very high99 Ų9967.5 Ų67.549%0.48834%0.342SS..Hα-helixtrans-57.1-42.9171.9-68.3-54.9101.700112.7F288 D290 I296 H297F288-M293 HydrophobicContact CD1-CB 3.94Å; D290-M293 HydrophobicContact CB-CB 4.26Å; D290-M293 HydrophobicContact CB-CG 4.19Å; D290-M293 WeakPolarHBondContact OD2-CG 3.42Å; D290-M293 PolarHBondContact OD2-N 2.8Å; M293-I296 HydrophobicContact CE-CD1 3.87Å; M293-I296 PolarHBondContact O-N 3.42Å; M293-H297 VanDerWaalsContact O-CB 3.29Å; M293-H297 WeakPolarHBondContact O-CB 3.45Å; M293-H297 PolarHBondContact O-N 2.81Å
294Y94.3Very high91.5Very high55 Ų5574.2 Ų74.222%0.21636%0.364CS..Hα-helixtrans-59.7-45.6174.1171.1-106000112.4Y279 K280 F288 D290 H291 V292 H297 M298Y279-Y294 HydrophobicContact CG-CD1 4.44Å; Y279-Y294 HydrophobicContact CG-CG 4.33Å; K280-Y294 WeakPolarHBondContact O-CE2 3.25Å; F288-Y294 HydrophobicContact CD2-CD2 4.03Å; D290-Y294 WeakPolarHBondContact O-CB 3.39Å; D290-Y294 PolarHBondContact O-N 3.1Å; D290-Y294 VanDerWaalsContact O-N 3.08Å; H291-Y294 PolarHBondContact O-N 3.5Å; V292-Y294 VanDerWaalsContact C-N 3.32Å; V292-Y294 PolarHBondContact O-N 3Å; Y294-H297 PolarHBondContact O-N 3.42Å; Y294-M298 HydrophobicContact CD1-CG 4.47Å; Y294-M298 HydrophobicContact CD2-CG 4.34Å; Y294-M298 HydrophobicContact CE1-CG 4.07Å; Y294-M298 HydrophobicContact CE2-CE 4.14Å; Y294-M298 HydrophobicContact CE2-CG 3.92Å; Y294-M298 HydrophobicContact CE2-SD 4.04Å; Y294-M298 WeakPolarHBondContact O-CG 3.15Å; Y294-M298 PolarHBondContact O-N 2.99Å
295T93.6Very high91.4Very high72 Ų7277 Ų7744%0.44238%0.379SS..Hα-helixtrans-65.8-41.8-179.5-54.20000111.7H291 V292 M298 G299H291-T295 PolarHBondContact CE1-OG1 3.08Å; H291-T295 VanDerWaalsContact CE1-OG1 3.3Å; H291-T295 PolarHBondContact ND1-OG1 2.72Å; H291-T295 WeakPolarHBondContact O-CB 3.34Å; H291-T295 PolarHBondContact O-N 2.8Å; H291-T295 PolarHBondContact O-OG1 2.98Å; V292-T295 PolarHBondContact O-N 3.26Å; V292-T295 VanDerWaalsContact O-N 3.17Å; T295-M298 PolarHBondContact O-N 3.39Å; T295-G299 PolarHBondContact O-N 2.69Å
296I92.9Very high91.5Very high99 Ų9970.8 Ų70.851%0.50836%0.361SS..Hα-helixtrans-61.7-45.8174.8-69.7168.2000110.2V292 M293 M298 G299 C300V292-I296 HydrophobicContact CG1-CD1 3.96Å; V292-I296 WeakPolarHBondContact O-CG1 3.38Å; V292-I296 PolarHBondContact O-N 3.21Å; M293-I296 HydrophobicContact CE-CD1 3.87Å; M293-I296 PolarHBondContact O-N 3.42Å; I296-M298 PolarHBondContact O-N 3.14Å; I296-G299 CarbonylContact O-C 3.57Å; I296-G299 WeakPolarHBondContact O-CA 3.39Å; I296-G299 PolarHBondContact O-N 2.94Å; I296-C300 PolarHBondContact O-N 3.22Å; I296-C300 PolarHBondContact O-SG 3.21Å; I296-C300 VanDerWaalsContact O-SG 3.4Å
297H92.9Very high91.6Very high14 Ų1471.3 Ų71.37%0.06536%0.359CS..Hα-helixtrans-62.8-38.6177.2169.960.4000113C281 C284 F288 M293 Y294 G299 C300 H301C281-H297 VanDerWaalsContact CB-NE2 3.33Å; C281-H297 WeakPolarHBondContact CB-NE2 3.3Å; C281-H297 PolarHBondContact SG-NE2 2.81Å; C284-H297 VanDerWaalsContact SG-CE1 3.51Å; C284-H297 PolarHBondContact SG-NE2 2.98Å; F288-H297 HydrophobicContact CE1-CB 4.06Å; F288-H297 HydrophobicContact CE2-CB 4.27Å; F288-H297 AromaticContact CE2-CD2 3.21Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.31Å; F288-H297 AromaticContact CE2-CG 3.83Å; F288-H297 AromaticContact CE2-NE2 3.8Å; F288-H297 HydrophobicContact CZ-CB 3.67Å; F288-H297 AromaticContact CZ-CD2 3.25Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.33Å; F288-H297 AromaticContact CZ-CG 3.36Å; F288-H297 AromaticContact CZ-NE2 3.85Å; M293-H297 VanDerWaalsContact O-CB 3.29Å; M293-H297 WeakPolarHBondContact O-CB 3.45Å; M293-H297 PolarHBondContact O-N 2.81Å; Y294-H297 PolarHBondContact O-N 3.42Å; H297-G299 VanDerWaalsContact C-N 3.28Å; H297-G299 PolarHBondContact O-N 3.34Å; H297-C300 WeakPolarHBondContact O-CB 3.22Å; H297-C300 PolarHBondContact O-N 3.32Å; H297-C300 VanDerWaalsContact O-N 3.09Å; H297-H301 AromaticContact CE1-NE2 3.37Å; H297-H301 PolarHBondContact CE1-NE2 3.38Å; H297-H301 AromaticContact NE2-NE2 3.41Å; H297-H301 PolarHBondContact NE2-NE2 3.49Å; H297-H301 PolarHBondContact O-CD2 3.29Å
298M93.6Very high91.7Very high52 Ų5269.7 Ų69.726%0.25635%0.35SS..Hα-helixtrans-59.7-38.5170.3-69.8-65.993.700111.9C281 Y294 T295 I296 C300 H301C281-M298 HydrophobicContact CB-CE 3.68Å; C281-M298 WeakPolarHBondContact SG-CE 3.32Å; Y294-M298 HydrophobicContact CD1-CG 4.47Å; Y294-M298 HydrophobicContact CD2-CG 4.34Å; Y294-M298 HydrophobicContact CE1-CG 4.07Å; Y294-M298 HydrophobicContact CE2-CE 4.14Å; Y294-M298 HydrophobicContact CE2-CG 3.92Å; Y294-M298 HydrophobicContact CE2-SD 4.04Å; Y294-M298 WeakPolarHBondContact O-CG 3.15Å; Y294-M298 PolarHBondContact O-N 2.99Å; T295-M298 PolarHBondContact O-N 3.39Å; I296-M298 PolarHBondContact O-N 3.14Å; M298-C300 PolarHBondContact O-N 3.41Å; M298-H301 PolarHBondContact O-N 3.35Å
299G92.8Very high91.7Very high40 Ų4067.9 Ų67.941%0.41234%0.341SS..Hα-helixtrans-68.5-13.5173.600000115.6T295 I296 H297 N310T295-G299 PolarHBondContact O-N 2.69Å; I296-G299 CarbonylContact O-C 3.57Å; I296-G299 WeakPolarHBondContact O-CA 3.39Å; I296-G299 PolarHBondContact O-N 2.94Å; H297-G299 VanDerWaalsContact C-N 3.28Å; H297-G299 PolarHBondContact O-N 3.34Å; G299-N310 PolarHBondContact O-ND2 2.86Å
300C92.1Very high91.7Very high9 Ų966 Ų666%0.06133%0.332CS..Hα-helixtrans-81.2-23.8174.4-63.30000113.3I296 H297 M298 N310 F322 I326I296-C300 PolarHBondContact O-N 3.22Å; I296-C300 PolarHBondContact O-SG 3.21Å; I296-C300 VanDerWaalsContact O-SG 3.4Å; H297-C300 WeakPolarHBondContact O-CB 3.22Å; H297-C300 PolarHBondContact O-N 3.32Å; H297-C300 VanDerWaalsContact O-N 3.09Å; M298-C300 PolarHBondContact O-N 3.41Å; C300-N310 WeakPolarHBondContact O-CB 3.49Å; C300-N310 PolarHBondContact O-N 3.25Å; C300-F322 HydrophobicContact CB-CZ 4.37Å; C300-I326 HydrophobicContact CB-CD1 3.72Å; C300-I326 HydrophobicContact CB-CG1 4.25Å
301H93.4Very high91.6Very high12 Ų1266.8 Ų66.86%0.05634%0.335CS..BIsolated β-bridgetrans-74.3138.5176.9-69.3-71000110.9C281 H283 H297 M298 P306 F322C281-H301 PolarHBondContact SG-NE2 2.85Å; C281-H301 VanDerWaalsContact SG-NE2 3.41Å; H283-H301 AromaticContact CD2-CD2 3.73Å; H283-H301 AromaticContact CD2-CG 3.9Å; H283-H301 AromaticContact CD2-NE2 3.89Å; H297-H301 AromaticContact CE1-NE2 3.37Å; H297-H301 PolarHBondContact CE1-NE2 3.38Å; H297-H301 AromaticContact NE2-NE2 3.41Å; H297-H301 PolarHBondContact NE2-NE2 3.49Å; H297-H301 PolarHBondContact O-CD2 3.29Å; M298-H301 PolarHBondContact O-N 3.35Å; H301-P306 PolarHBondContact ND1-O 3.46Å; H301-F322 AromaticContact CE1-CD1 3.84Å; H301-F322 AromaticContact CE1-CE1 3.22Å; H301-F322 WeakPolarHBondContact CE1-CE1 3.46Å; H301-F322 AromaticContact CE1-CZ 3.66Å; H301-F322 AromaticContact CG-CZ 3.95Å; H301-F322 AromaticContact ND1-CE1 3.42Å; H301-F322 WeakPolarHBondContact ND1-CE1 3.45Å; H301-F322 AromaticContact ND1-CZ 3.31Å; H301-F322 VanDerWaalsContact ND1-CZ 3.31Å; H301-F322 WeakPolarHBondContact ND1-CZ 3.33Å; H301-F322 AromaticContact NE2-CE1 3.92Å
302G90.6Very high91.6Very high10 Ų1064.5 Ų64.510%0.10333%0.327CS..  trans-68143.6178.600000112.7R304 D305 E308G302-R304 PolarHBondContact O-N 3.26Å; G302-R304 VanDerWaalsContact O-N 3.12Å; G302-D305 WeakPolarHBondContact CA-O 3.32Å; G302-D305 PolarHBondContact N-O 3.39Å; G302-E308 WeakPolarHBondContact CA-O 3.32Å; G302-E308 PolarHBondContact N-O 3.15Å
303F86.6Confident91.4Very high190 Ų19062.4 Ų62.483%0.83332%0.323SS*.SBendtrans-64.7-13.7177.9-59.3-80.4000114.2N310F303-N310 WeakPolarHBondContact CE2-OD1 3.34Å
304R86.1Confident91.2Very high223 Ų22362.2 Ų62.284%0.84232%0.317SS*.SBendtrans-115.1-35.5-176-58.3-174.971.9-102.5-0.9113G302G302-R304 PolarHBondContact O-N 3.26Å; G302-R304 VanDerWaalsContact O-N 3.12Å
305D88.6Confident91.2Very high59 Ų5964.6 Ų64.632%0.31633%0.33SS..  trans-137.1123.4175.5-177.7-9.5000109G302 F307 E308G302-D305 WeakPolarHBondContact CA-O 3.32Å; G302-D305 PolarHBondContact N-O 3.39Å; D305-F307 PolarHBondContact O-N 3.13Å; D305-F307 VanDerWaalsContact O-N 3.11Å; D305-F307 PolarHBondContact OD1-N 3.41Å; D305-E308 HydrophobicContact CB-CB 4.04Å; D305-E308 WeakPolarHBondContact O-CB 3.5Å; D305-E308 PolarHBondContact O-N 3.46Å
306P90.6Very high91.1Very high43 Ų4361.7 Ų61.728%0.27931%0.313SS..THydrogen-bonded Turntrans-57.8-18.7173.7-25.635.4000115.3H283 H301H283-P306 HydrophobicContact CB-CB 3.84Å; H301-P306 PolarHBondContact ND1-O 3.46Å
307F92.2Very high90.9Very high59 Ų5965.8 Ų65.826%0.25933%0.33SS..THydrogen-bonded Turntrans-99.4-0.3177-56.2-67.1000113.8D305 S316 R319 F322D305-F307 PolarHBondContact O-N 3.13Å; D305-F307 VanDerWaalsContact O-N 3.11Å; D305-F307 PolarHBondContact OD1-N 3.41Å; F307-S316 VanDerWaalsContact CB-O 3.32Å; F307-S316 WeakPolarHBondContact CB-O 3.43Å; F307-S316 PolarHBondContact O-N 2.79Å; F307-R319 HydrophobicContact CE1-CB 3.79Å; F307-R319 HydrophobicContact CZ-CB 4.43Å; F307-F322 HydrophobicContact CD1-CB 4.19Å
308E93.6Very high90.8Very high47 Ų4768.6 Ų68.622%0.2235%0.345CS..BIsolated β-bridgetrans-78128.6162.4179.2177-149.800109.8G302 D305 N310 H315G302-E308 WeakPolarHBondContact CA-O 3.32Å; G302-E308 PolarHBondContact N-O 3.15Å; D305-E308 HydrophobicContact CB-CB 4.04Å; D305-E308 WeakPolarHBondContact O-CB 3.5Å; D305-E308 PolarHBondContact O-N 3.46Å; E308-N310 PolarHBondContact O-N 3.39Å; E308-H315 VanDerWaalsContact CD-CE1 3.47Å; E308-H315 IonicContact OE1-CE1 3.83Å; E308-H315 PolarHBondContact OE1-CE1 3.02Å; E308-H315 IonicContact OE1-NE2 2.87Å
309C92.1Very high90.6Very high0 Ų069.8 Ų69.80%035%0.347CS..BIsolated β-bridgetrans-80108.6173.5178.60000110.7M311 C312 G313 Y314 F322 H325C309-M311 PolarHBondContact O-N 2.87Å; C309-C312 PolarHBondContact O-N 3.26Å; C309-C312 VanDerWaalsContact O-N 3.1Å; C309-G313 WeakPolarHBondContact O-CA 3.37Å; C309-G313 PolarHBondContact O-N 3.43Å; C309-Y314 WeakPolarHBondContact CB-O 3.48Å; C309-Y314 PolarHBondContact N-O 2.92Å; C309-F322 HydrophobicContact CB-CE2 4.39Å; C309-H325 PolarHBondContact SG-NE2 2.82Å
310N91.6Very high90.5Very high71 Ų7174.9 Ų74.938%0.3836%0.355SS..THydrogen-bonded Turntrans-56-22.1179.9-171.535.9000113.8G299 C300 F303 E308G299-N310 PolarHBondContact O-ND2 2.86Å; C300-N310 WeakPolarHBondContact O-CB 3.49Å; C300-N310 PolarHBondContact O-N 3.25Å; F303-N310 WeakPolarHBondContact CE2-OD1 3.34Å; E308-N310 PolarHBondContact O-N 3.39Å
311M88.4Confident90.5Very high83 Ų8378.1 Ų78.141%0.40937%0.369SS..THydrogen-bonded Turntrans-81.2-28.4179.9-63.5178.862.200113.9C309 F333C309-M311 PolarHBondContact O-N 2.87Å; M311-F333 WeakPolarHBondContact O-CD1 3.47Å; M311-F333 WeakPolarHBondContact O-CE1 3.43Å
312C90.8Very high90.4Very high34 Ų3477.6 Ų77.623%0.2337%0.367CS..THydrogen-bonded Turntrans-147.712.5-17569.30000115.8C309 Y314 H325 H331C309-C312 PolarHBondContact O-N 3.26Å; C309-C312 VanDerWaalsContact O-N 3.1Å; C312-Y314 PolarHBondContact O-N 2.84Å; C312-Y314 VanDerWaalsContact O-N 3.14Å; C312-H325 VanDerWaalsContact SG-CE1 3.58Å; C312-H325 PolarHBondContact SG-NE2 2.73Å; C312-H325 VanDerWaalsContact SG-NE2 3.39Å; C312-H331 HydrophobicContact CB-CB 4.13Å
313G88.8Confident90.4Very high40 Ų4078.5 Ų78.541%0.41237%0.371SS..  trans66.610.1178.700000115C309 H315C309-G313 WeakPolarHBondContact O-CA 3.37Å; C309-G313 PolarHBondContact O-N 3.43Å; G313-H315 PolarHBondContact O-N 2.72Å; G313-H315 PolarHBondContact O-ND1 3.15Å
314Y90.5Very high90.6Very high94 Ų9471.4 Ų71.437%0.36935%0.346SS..PPolyproline II helixtrans-73.1116.2179.4176.4-106.3000110C309 C312 S316 E321 H325C309-Y314 WeakPolarHBondContact CB-O 3.48Å; C309-Y314 PolarHBondContact N-O 2.92Å; C312-Y314 PolarHBondContact O-N 2.84Å; C312-Y314 VanDerWaalsContact O-N 3.14Å; Y314-S316 WeakPolarHBondContact CE1-OG 3.31Å; Y314-E321 PolarHBondContact OH-OE1 2.82Å; Y314-H325 HydrophobicContact CD1-CB 4.13Å; Y314-H325 AromaticContact CD1-CD2 3.86Å; Y314-H325 AromaticContact CD1-CE1 3.75Å; Y314-H325 AromaticContact CD1-CG 3.54Å; Y314-H325 AromaticContact CD1-ND1 3.46Å; Y314-H325 WeakPolarHBondContact CD1-ND1 3.41Å; Y314-H325 HydrophobicContact CE1-CB 4.11Å; Y314-H325 AromaticContact CE1-CG 3.99Å; Y314-H325 AromaticContact CE1-ND1 3.97Å; Y314-H325 AromaticContact CG-CE1 3.98Å
315H92.9Very high90.9Very high106 Ų10661.7 Ų61.749%0.49131%0.31SS..BIsolated β-bridgetrans-88.1122.2176.9-68.957.5000109.3E308 G313E308-H315 VanDerWaalsContact CD-CE1 3.47Å; E308-H315 IonicContact OE1-CE1 3.83Å; E308-H315 PolarHBondContact OE1-CE1 3.02Å; E308-H315 IonicContact OE1-NE2 2.87Å; G313-H315 PolarHBondContact O-N 2.72Å; G313-H315 PolarHBondContact O-ND1 3.15Å
316S91.3Very high90.9Very high10 Ų1060.6 Ų60.67%0.0730%0.303CS..PPolyproline II helixtrans-94.7145.3174.4-50.30000110.2F307 Y314 F322F307-S316 VanDerWaalsContact CB-O 3.32Å; F307-S316 WeakPolarHBondContact CB-O 3.43Å; F307-S316 PolarHBondContact O-N 2.79Å; Y314-S316 WeakPolarHBondContact CE1-OG 3.31Å; S316-F322 WeakPolarHBondContact OG-CA 3.41Å; S316-F322 PolarHBondContact OG-N 2.9Å
317Q90.4Very high90.9Very high186 Ų18664.2 Ų64.287%0.86933%0.325SS*.SBendtrans-83.4-23177.5-174.6158.372.700112.7E321Q317-E321 PolarHBondContact N-OE2 3.14Å
318D90.6Very high90.7Very high73 Ų7369.1 Ų69.139%0.3934%0.342SS..SBendtrans-143.7174.8171.187.418.5000115Y320 E321 F322D318-Y320 VanDerWaalsContact C-N 3.32Å; D318-Y320 PolarHBondContact O-N 3.48Å; D318-Y320 WeakPolarHBondContact OD1-CA 3.45Å; D318-Y320 WeakPolarHBondContact OD1-CB 3.5Å; D318-Y320 PolarHBondContact OD1-N 3.14Å; D318-E321 PolarHBondContact OD1-N 3.33Å; D318-F322 WeakPolarHBondContact O-CB 2.98Å; D318-F322 PolarHBondContact O-N 3.39Å
319R89.3Confident90.2Very high77 Ų7768.8 Ų68.829%0.29135%0.351SS..Hα-helixtrans-67.3-25.6-178.574.1-177.9-168.6106.41.5114.8C284 F307 S323C284-R319 HydrophobicContact CB-CB 3.89Å; C284-R319 PolarHBondContact O-NH1 2.72Å; F307-R319 HydrophobicContact CE1-CB 3.79Å; F307-R319 HydrophobicContact CZ-CB 4.43Å; R319-S323 VanDerWaalsContact O-CB 3.31Å; R319-S323 WeakPolarHBondContact O-CB 3.35Å; R319-S323 PolarHBondContact O-N 3.16Å; R319-S323 VanDerWaalsContact O-N 3.07Å; R319-S323 PolarHBondContact O-OG 3.43Å
320Y90.9Very high89.6Confident146 Ų14674 Ų7457%0.57338%0.376SS*.Hα-helixtrans-82.8-39.7179.2-57.1-79.6000110.4D318 S323 S324D318-Y320 VanDerWaalsContact C-N 3.32Å; D318-Y320 PolarHBondContact O-N 3.48Å; D318-Y320 WeakPolarHBondContact OD1-CA 3.45Å; D318-Y320 WeakPolarHBondContact OD1-CB 3.5Å; D318-Y320 PolarHBondContact OD1-N 3.14Å; Y320-S323 PolarHBondContact O-N 3.21Å; Y320-S324 VanDerWaalsContact O-CB 3.31Å; Y320-S324 WeakPolarHBondContact O-CB 3.35Å; Y320-S324 PolarHBondContact O-N 3.03Å
321E91.7Very high89.3Confident78 Ų7872.3 Ų72.336%0.36437%0.365SS..Hα-helixtrans-60.7-47.7170.2-174.5173.2-131.500110.6Y314 Q317 D318 S323 S324 H325Y314-E321 PolarHBondContact OH-OE1 2.82Å; Q317-E321 PolarHBondContact N-OE2 3.14Å; D318-E321 PolarHBondContact OD1-N 3.33Å; E321-S323 PolarHBondContact O-N 3.2Å; E321-S324 WeakPolarHBondContact O-CB 3.42Å; E321-S324 PolarHBondContact O-N 3.18Å; E321-H325 WeakPolarHBondContact O-CB 3.13Å; E321-H325 PolarHBondContact O-N 3.16Å
322F91.4Very high88.3Confident0 Ų077.9 Ų77.90%038%0.382CS..Hα-helixtrans-58.1-46.2173-175-90.9000112.1C300 H301 F307 C309 S316 D318 S324 H325 I326C300-F322 HydrophobicContact CB-CZ 4.37Å; H301-F322 AromaticContact CE1-CD1 3.84Å; H301-F322 AromaticContact CE1-CE1 3.22Å; H301-F322 WeakPolarHBondContact CE1-CE1 3.46Å; H301-F322 AromaticContact CE1-CZ 3.66Å; H301-F322 AromaticContact CG-CZ 3.95Å; H301-F322 AromaticContact ND1-CE1 3.42Å; H301-F322 WeakPolarHBondContact ND1-CE1 3.45Å; H301-F322 AromaticContact ND1-CZ 3.31Å; H301-F322 VanDerWaalsContact ND1-CZ 3.31Å; H301-F322 WeakPolarHBondContact ND1-CZ 3.33Å; H301-F322 AromaticContact NE2-CE1 3.92Å; F307-F322 HydrophobicContact CD1-CB 4.19Å; C309-F322 HydrophobicContact CB-CE2 4.39Å; S316-F322 WeakPolarHBondContact OG-CA 3.41Å; S316-F322 PolarHBondContact OG-N 2.9Å; D318-F322 WeakPolarHBondContact O-CB 2.98Å; D318-F322 PolarHBondContact O-N 3.39Å; F322-S324 VanDerWaalsContact C-N 3.34Å; F322-S324 PolarHBondContact O-N 3.08Å; F322-H325 PolarHBondContact O-N 3.01Å; F322-I326 HydrophobicContact CD1-CG1 4.06Å; F322-I326 HydrophobicContact CE1-CD1 4.37Å; F322-I326 HydrophobicContact CE1-CG1 3.62Å; F322-I326 HydrophobicContact CE2-CD1 4.43Å; F322-I326 HydrophobicContact CE2-CG1 4.38Å; F322-I326 HydrophobicContact CZ-CD1 4.05Å; F322-I326 HydrophobicContact CZ-CG1 3.8Å; F322-I326 WeakPolarHBondContact O-CG1 3.21Å; F322-I326 PolarHBondContact O-N 3.33Å
323S90.3Very high87.1Confident29 Ų2982.4 Ų82.420%0.20340%0.398CS..Hα-helixtrans-63.3-38.7178-60.50000112.2R319 Y320 E321 T327R319-S323 VanDerWaalsContact O-CB 3.31Å; R319-S323 WeakPolarHBondContact O-CB 3.35Å; R319-S323 PolarHBondContact O-N 3.16Å; R319-S323 VanDerWaalsContact O-N 3.07Å; R319-S323 PolarHBondContact O-OG 3.43Å; Y320-S323 PolarHBondContact O-N 3.21Å; E321-S323 PolarHBondContact O-N 3.2Å; S323-T327 WeakPolarHBondContact O-CB 3.46Å; S323-T327 VanDerWaalsContact O-CG2 3.3Å; S323-T327 WeakPolarHBondContact O-CG2 3.32Å; S323-T327 PolarHBondContact O-N 2.7Å; S323-T327 PolarHBondContact O-OG1 2.76Å
324S90.6Very high85.5Confident42 Ų4288.8 Ų88.829%0.29442%0.416SS..Hα-helixtrans-65.7-41.2173.8174.70000111.3Y320 E321 F322 T327 R328Y320-S324 VanDerWaalsContact O-CB 3.31Å; Y320-S324 WeakPolarHBondContact O-CB 3.35Å; Y320-S324 PolarHBondContact O-N 3.03Å; E321-S324 WeakPolarHBondContact O-CB 3.42Å; E321-S324 PolarHBondContact O-N 3.18Å; F322-S324 VanDerWaalsContact C-N 3.34Å; F322-S324 PolarHBondContact O-N 3.08Å; S324-T327 WeakPolarHBondContact CA-OG1 3.24Å; S324-T327 PolarHBondContact O-OG1 3.26Å; S324-R328 WeakPolarHBondContact O-CB 3.49Å; S324-R328 WeakPolarHBondContact O-CD 3.45Å; S324-R328 WeakPolarHBondContact O-CG 3.48Å; S324-R328 PolarHBondContact O-N 3.4Å; S324-R328 PolarHBondContact OG-NH1 3.17Å; S324-R328 VanDerWaalsContact OG-NH1 3.08Å
325H91.4Very high83.3Confident18 Ų1892 Ų928%0.08344%0.437CS..Hα-helixtrans-62.1-51.6177.8176.272.1000111.6C309 C312 Y314 E321 F322 R328 G329 H331C309-H325 PolarHBondContact SG-NE2 2.82Å; C312-H325 VanDerWaalsContact SG-CE1 3.58Å; C312-H325 PolarHBondContact SG-NE2 2.73Å; C312-H325 VanDerWaalsContact SG-NE2 3.39Å; Y314-H325 HydrophobicContact CD1-CB 4.13Å; Y314-H325 AromaticContact CD1-CD2 3.86Å; Y314-H325 AromaticContact CD1-CE1 3.75Å; Y314-H325 AromaticContact CD1-CG 3.54Å; Y314-H325 AromaticContact CD1-ND1 3.46Å; Y314-H325 WeakPolarHBondContact CD1-ND1 3.41Å; Y314-H325 HydrophobicContact CE1-CB 4.11Å; Y314-H325 AromaticContact CE1-CG 3.99Å; Y314-H325 AromaticContact CE1-ND1 3.97Å; Y314-H325 AromaticContact CG-CE1 3.98Å; E321-H325 WeakPolarHBondContact O-CB 3.13Å; E321-H325 PolarHBondContact O-N 3.16Å; F322-H325 PolarHBondContact O-N 3.01Å; H325-R328 PolarHBondContact O-N 3.44Å; H325-G329 PolarHBondContact O-N 3.15Å; H325-G329 VanDerWaalsContact O-N 3.14Å; H325-H331 AromaticContact CD2-CE1 3.86Å; H325-H331 AromaticContact CE1-CE1 3.98Å; H325-H331 AromaticContact CE1-ND1 3.6Å; H325-H331 AromaticContact NE2-CE1 3.33Å; H325-H331 PolarHBondContact NE2-CE1 3.14Å; H325-H331 VanDerWaalsContact NE2-CE1 3.33Å; H325-H331 AromaticContact NE2-ND1 3.16Å; H325-H331 PolarHBondContact NE2-ND1 3.05Å; H325-H331 VanDerWaalsContact NE2-ND1 3.16Å
326I90.3Very high80.8Confident36 Ų3695.7 Ų95.719%0.18548%0.475CS..Hα-helixtrans-65.1-40.6178.6-59.6-55.3000111.9C300 F322 G329C300-I326 HydrophobicContact CB-CD1 3.72Å; C300-I326 HydrophobicContact CB-CG1 4.25Å; F322-I326 HydrophobicContact CD1-CG1 4.06Å; F322-I326 HydrophobicContact CE1-CD1 4.37Å; F322-I326 HydrophobicContact CE1-CG1 3.62Å; F322-I326 HydrophobicContact CE2-CD1 4.43Å; F322-I326 HydrophobicContact CE2-CG1 4.38Å; F322-I326 HydrophobicContact CZ-CD1 4.05Å; F322-I326 HydrophobicContact CZ-CG1 3.8Å; F322-I326 WeakPolarHBondContact O-CG1 3.21Å; F322-I326 PolarHBondContact O-N 3.33Å; I326-G329 PolarHBondContact O-N 3.46Å
327T89.4Confident80.3Confident120 Ų120100 Ų10074%0.73650%0.495SS*.Hα-helixtrans-74.3-23.4179.753.20000114.1S323 S324S323-T327 WeakPolarHBondContact O-CB 3.46Å; S323-T327 VanDerWaalsContact O-CG2 3.3Å; S323-T327 WeakPolarHBondContact O-CG2 3.32Å; S323-T327 PolarHBondContact O-N 2.7Å; S323-T327 PolarHBondContact O-OG1 2.76Å; S324-T327 WeakPolarHBondContact CA-OG1 3.24Å; S324-T327 PolarHBondContact O-OG1 3.26Å
328R89Confident79.7Confident161 Ų16195.5 Ų95.561%0.60848%0.475SS*.Hα-helixtrans-76.8-31170.6-78.1172.7133.785.35.9113.6S324 H325 E330S324-R328 WeakPolarHBondContact O-CB 3.49Å; S324-R328 WeakPolarHBondContact O-CD 3.45Å; S324-R328 WeakPolarHBondContact O-CG 3.48Å; S324-R328 PolarHBondContact O-N 3.4Å; S324-R328 PolarHBondContact OG-NH1 3.17Å; S324-R328 VanDerWaalsContact OG-NH1 3.08Å; H325-R328 PolarHBondContact O-N 3.44Å; R328-E330 HydrophobicContact CB-CB 4.38Å; R328-E330 HydrophobicContact CB-CG 4.04Å; R328-E330 VanDerWaalsContact CD-OE1 3.24Å; R328-E330 WeakPolarHBondContact CD-OE1 3.41Å; R328-E330 IonicContact NE-OE1 3.36Å; R328-E330 PolarHBondContact NE-OE1 2.97Å; R328-E330 PolarHBondContact O-N 3.09Å
329G82.9Confident79.1Confident41 Ų4196.7 Ų96.742%0.42348%0.48SS..THydrogen-bonded Turntrans66.519.6-17500000114.3H325 I326 H331H325-G329 PolarHBondContact O-N 3.15Å; H325-G329 VanDerWaalsContact O-N 3.14Å; I326-G329 PolarHBondContact O-N 3.46Å; G329-H331 PolarHBondContact O-CD2 3.02Å; G329-H331 PolarHBondContact O-N 2.96Å
330E79.7Confident78.5Confident109 Ų10997.9 Ų97.951%0.50949%0.491SS..  trans-7652.4-176.8-75.7-177.3-115.600112.4R328 R332R328-E330 HydrophobicContact CB-CB 4.38Å; R328-E330 HydrophobicContact CB-CG 4.04Å; R328-E330 VanDerWaalsContact CD-OE1 3.24Å; R328-E330 WeakPolarHBondContact CD-OE1 3.41Å; R328-E330 IonicContact NE-OE1 3.36Å; R328-E330 PolarHBondContact NE-OE1 2.97Å; R328-E330 PolarHBondContact O-N 3.09Å; E330-R332 PolarHBondContact O-N 2.94Å; E330-R332 VanDerWaalsContact O-N 3.16Å
331H84Confident77.7Confident35 Ų3594.9 Ų94.916%0.16249%0.486CS..  trans-8290-178.2-55.5-57000111.5C312 H325 G329 F333C312-H331 HydrophobicContact CB-CB 4.13Å; H325-H331 AromaticContact CD2-CE1 3.86Å; H325-H331 AromaticContact CE1-CE1 3.98Å; H325-H331 AromaticContact CE1-ND1 3.6Å; H325-H331 AromaticContact NE2-CE1 3.33Å; H325-H331 PolarHBondContact NE2-CE1 3.14Å; H325-H331 VanDerWaalsContact NE2-CE1 3.33Å; H325-H331 AromaticContact NE2-ND1 3.16Å; H325-H331 PolarHBondContact NE2-ND1 3.05Å; H325-H331 VanDerWaalsContact NE2-ND1 3.16Å; G329-H331 PolarHBondContact O-CD2 3.02Å; G329-H331 PolarHBondContact O-N 2.96Å; H331-F333 HydrophobicContact CB-CD2 4.44Å; H331-F333 HydrophobicContact CB-CE2 3.95Å; H331-F333 HydrophobicContact CB-CZ 4.42Å; H331-F333 WeakPolarHBondContact O-CD2 3.46Å; H331-F333 PolarHBondContact O-N 3.33Å; H331-F333 VanDerWaalsContact O-N 3.14Å
332R68.8Low76.8Confident200 Ų20096 Ų9676%0.75549%0.494SS*.  trans-76.194.3167.1-79.1-173.9166.386.7-0.8110.2E330 H334E330-R332 PolarHBondContact O-N 2.94Å; E330-R332 VanDerWaalsContact O-N 3.16Å; R332-H334 PolarHBondContact O-N 3.41Å; R332-H334 VanDerWaalsContact O-N 3.09Å
333F64.7Low75.8Confident129 Ų129102.9 Ų102.957%0.56653%0.53SS*.  trans-63.7104.8171.3-66.7-91.4000110.7M311 H331 M335M311-F333 WeakPolarHBondContact O-CD1 3.47Å; M311-F333 WeakPolarHBondContact O-CE1 3.43Å; H331-F333 HydrophobicContact CB-CD2 4.44Å; H331-F333 HydrophobicContact CB-CE2 3.95Å; H331-F333 HydrophobicContact CB-CZ 4.42Å; H331-F333 WeakPolarHBondContact O-CD2 3.46Å; H331-F333 PolarHBondContact O-N 3.33Å; H331-F333 VanDerWaalsContact O-N 3.14Å; F333-M335 PolarHBondContact O-N 3.17Å; F333-M335 VanDerWaalsContact O-N 3.17Å
334H54.5Low74.7Confident174 Ų174108.5 Ų108.581%0.80656%0.555SS**  trans-79.692.9168.2-118-83.2000109.2R332R332-H334 PolarHBondContact O-N 3.41Å; R332-H334 VanDerWaalsContact O-N 3.09Å
335M45.1Very low73.3Confident162 Ų162114.1 Ų114.180%0.79858%0.576SS**  trans-75.8127.6164-61.2-77.685.100108.4F333F333-M335 PolarHBondContact O-N 3.17Å; F333-M335 VanDerWaalsContact O-N 3.17Å
336S40Very low71.7Confident184 Ų184122.8 Ų122.8100%1.28762%0.621SS**  trans-132.40176.9-176.10000110.7

Retrieved 336 of 336 residues in 115.6 ms (Link to these results)