A0A077ZGQ7_TRITR Loading...

Gamma glutamyltranspeptidase family protein

AlphaFold DB , UniProt , Accession A0A077ZGQ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 558 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
1E53.8Low84.4Confident196 Ų19696 Ų9692%0.91652%0.519SS*.  0-570-67-178.117500113.6N3 E4E1-N3 VanDerWaalsContact C-N 3.26Å; E1-N3 PolarHBondContact O-N 3.28Å; E1-N3 VanDerWaalsContact O-N 3.07Å; E1-E4 PolarHBondContact O-N 2.72Å
2A61.6Low84.9Confident98 Ų98105.3 Ų105.381%0.8155%0.551SS**THydrogen-bonded Turntrans-56.9-29.5-173.800000116
3N77Confident85.4Confident124 Ų12498.3 Ų98.366%0.66352%0.516SS*.THydrogen-bonded Turntrans-80-17179.7-154.328.7000113.5E1 R6E1-N3 VanDerWaalsContact C-N 3.26Å; E1-N3 PolarHBondContact O-N 3.28Å; E1-N3 VanDerWaalsContact O-N 3.07Å; N3-R6 WeakPolarHBondContact O-CB 3.41Å
4E89.8Confident85.7Confident74 Ų7498.8 Ų98.835%0.34653%0.525SS..THydrogen-bonded Turntrans-77-25.7-175.6-59.2-163.217700112.8E1 P508 E509 G510 K513E1-E4 PolarHBondContact O-N 2.72Å; E4-P508 CarbonylContact O-C 3.54Å; E4-P508 WeakPolarHBondContact O-CB 3.34Å; E4-E509 PolarHBondContact O-N 3.35Å; E4-G510 WeakPolarHBondContact O-CA 3.1Å; E4-G510 PolarHBondContact O-N 2.97Å; E4-K513 IonicContact OE1-NZ 2.62Å; E4-K513 PolarHBondContact OE1-NZ 3Å; E4-K513 VanDerWaalsContact OE1-NZ 3.13Å; E4-K513 IonicContact OE2-NZ 2.82Å; E4-K513 PolarHBondContact OE2-NZ 2.79Å
5F93.2Very high86.4Confident58 Ų5895.4 Ų95.425%0.25451%0.505SS..THydrogen-bonded Turntrans-96.99.9179.5-61.4-79.6000112.9W7 A293 G510 F511F5-W7 PolarHBondContact O-N 3.28Å; F5-A293 HydrophobicContact CD1-CB 3.64Å; F5-A293 HydrophobicContact CD2-CB 4.11Å; F5-A293 HydrophobicContact CE1-CB 3.7Å; F5-A293 HydrophobicContact CE2-CB 4.17Å; F5-A293 HydrophobicContact CG-CB 3.84Å; F5-A293 HydrophobicContact CZ-CB 3.97Å; F5-G510 WeakPolarHBondContact CE1-O 3.44Å; F5-F511 HydrophobicContact CB-CE2 4.2Å; F5-F511 HydrophobicContact CB-CZ 4.05Å; F5-F511 AromaticContact CD1-CD1 3.68Å; F5-F511 HydrophobicContact CD1-CD1 3.68Å; F5-F511 HydrophobicContact CD1-CD2 4.28Å; F5-F511 AromaticContact CD1-CE1 3.56Å; F5-F511 HydrophobicContact CD1-CE1 3.56Å; F5-F511 HydrophobicContact CD1-CE2 4.15Å; F5-F511 HydrophobicContact CD1-CG 4.01Å; F5-F511 AromaticContact CD1-CZ 3.77Å; F5-F511 HydrophobicContact CD1-CZ 3.77Å; F5-F511 HydrophobicContact CE1-CD1 4.02Å; F5-F511 HydrophobicContact CE1-CE1 4.18Å; F5-F511 HydrophobicContact CG-CZ 4.39Å
6R90.8Very high87.1Confident168 Ų16889.8 Ų89.863%0.63448%0.477SS*.PPolyproline II helixtrans-76.7119.7-174.2-174.7178.2178.5179.20.7111N3 P508N3-R6 WeakPolarHBondContact O-CB 3.41Å; R6-P508 WeakPolarHBondContact O-CG 3.32Å
7W92.2Very high87.8Confident63 Ų6389.2 Ų89.224%0.23948%0.478CS..PPolyproline II helixtrans-65.1147.1171-74.685.3000112.1F5 E296 Y300 R475 A489 P490 F507 P508 F511F5-W7 PolarHBondContact O-N 3.28Å; W7-E296 WeakPolarHBondContact CZ2-OE1 3.25Å; W7-E296 PolarHBondContact NE1-OE1 3.23Å; W7-Y300 HydrophobicContact CH2-CE2 4.18Å; W7-Y300 AromaticContact CH2-CZ 3.78Å; W7-Y300 VanDerWaalsContact CH2-OH 3.26Å; W7-Y300 WeakPolarHBondContact CH2-OH 3.42Å; W7-Y300 AromaticContact CZ2-CE2 3.69Å; W7-Y300 HydrophobicContact CZ2-CE2 3.69Å; W7-Y300 AromaticContact CZ2-CZ 3.57Å; W7-Y300 WeakPolarHBondContact CZ2-OH 3.43Å; W7-R475 VanDerWaalsContact CH2-NH1 3.28Å; W7-A489 HydrophobicContact CE3-CB 4.44Å; W7-A489 HydrophobicContact CZ3-CB 3.83Å; W7-P490 HydrophobicContact CZ3-CG 4.41Å; W7-F507 HydrophobicContact CH2-CD2 4.49Å; W7-F507 AromaticContact CH2-CE2 3.91Å; W7-F507 HydrophobicContact CH2-CE2 3.91Å; W7-F507 HydrophobicContact CH2-CZ 4.3Å; W7-P508 HydrophobicContact CD2-CG 4.22Å; W7-P508 HydrophobicContact CG-CG 4.31Å; W7-F511 HydrophobicContact CZ2-CD2 4.38Å; W7-F511 HydrophobicContact CZ2-CE2 4.15Å; W7-F511 AromaticContact NE1-CE2 3.57Å
8P92.1Very high88.4Confident50 Ų5086.3 Ų86.333%0.32546%0.459SS..PPolyproline II helixtrans-64.3157.6177.728.8-36.2000111.6P490 L506P8-P490 HydrophobicContact CG-CG 3.57Å; P8-L506 HydrophobicContact CG-CB 4.44Å
9S92.5Very high88.8Confident96 Ų9690.6 Ų90.667%0.67147%0.473SS*.PPolyproline II helixtrans-62.9154.6172-63.60000111.7
10P92.1Very high89.3Confident105 Ų10591.3 Ų91.368%0.68247%0.474SS*.PPolyproline II helixtrans-52.7144.8176.9-26.434.6000112.6
11S93.5Very high89.7Confident24 Ų2486.9 Ų86.917%0.16845%0.451CS..PPolyproline II helixtrans-73.6172.2177.680.10000111.9S13 K484 D488 W548S11-S13 PolarHBondContact O-N 2.91Å; S11-S13 PolarHBondContact OG-N 3.36Å; S11-S13 PolarHBondContact OG-OG 3.48Å; S11-K484 PolarHBondContact O-NZ 3.18Å; S11-K484 PolarHBondContact OG-NZ 3.05Å; S11-D488 VanDerWaalsContact CB-OD1 3.24Å; S11-D488 WeakPolarHBondContact CB-OD1 3.41Å; S11-D488 PolarHBondContact N-OD2 2.77Å; S11-D488 PolarHBondContact OG-OD1 2.79Å; S11-D488 PolarHBondContact OG-OD2 3.17Å; S11-W548 VanDerWaalsContact CB-CG 3.41Å
12K90.1Very high91.9Very high208 Ų20877.6 Ų77.690%0.90441%0.408SS*.SBendtrans-72.1-7175.1-62.1-176.6179.9179.90114.4
13S91.7Very high93.6Very high14 Ų1472.9 Ų72.910%0.09837%0.369CS..  trans-63.9142.4175.759.30000110.9S11 K484 D488 N545S11-S13 PolarHBondContact O-N 2.91Å; S11-S13 PolarHBondContact OG-N 3.36Å; S11-S13 PolarHBondContact OG-OG 3.48Å; S13-K484 WeakPolarHBondContact O-CE 3.37Å; S13-K484 PolarHBondContact O-NZ 3.49Å; S13-K484 PolarHBondContact OG-NZ 3.34Å; S13-K484 VanDerWaalsContact OG-NZ 3.07Å; S13-D488 PolarHBondContact OG-OD1 3.43Å; S13-N545 PolarHBondContact OG-ND2 3.24Å; S13-N545 VanDerWaalsContact OG-ND2 3.12Å
14T89.2Confident94.7Very high105 Ų10567 Ų6764%0.64434%0.337SS*.  trans-97.5121.3178.2-56.10000109.8G16 N545T14-G16 PolarHBondContact O-N 3.27Å; T14-N545 PolarHBondContact O-OD1 3.03Å; T14-N545 VanDerWaalsContact O-OD1 3.08Å
15E96.4Very high95.1Very high48 Ų4863.5 Ų63.522%0.22432%0.321CS..  trans-70.3116171.1-170.41657100109.5T482 K484 L543E15-T482 WeakPolarHBondContact OE2-CB 3.37Å; E15-T482 PolarHBondContact OE2-OG1 3.21Å; E15-K484 HydrophobicContact CB-CB 3.87Å; E15-K484 HydrophobicContact CB-CD 3.77Å; E15-K484 HydrophobicContact CB-CG 4.45Å; E15-K484 HydrophobicContact CG-CB 4.05Å; E15-K484 WeakPolarHBondContact OE2-CB 3.38Å; E15-K484 PolarHBondContact OE2-N 3.21Å; E15-L543 HydrophobicContact CG-CB 4.45Å
16G97.8Very high95.1Very high6 Ų660.9 Ų60.96%0.06231%0.31CS..EExtended strand (participates in β ladder)trans-73.7134.4172.400000110.3T14 L543 A544T14-G16 PolarHBondContact O-N 3.27Å; G16-L543 CarbonylContact O-C 3.59Å; G16-L543 WeakPolarHBondContact O-CA 3.48Å; G16-A544 PolarHBondContact N-O 3.22Å; G16-A544 PolarHBondContact O-N 2.83Å
17V98.2Very high95.4Very high79 Ų7953.1 Ų53.148%0.47928%0.281SS..EExtended strand (participates in β ladder)trans-124114.7178.7176.10000108.8Q541 I542 L543V17-Q541 HydrophobicContact CG1-CG 3.95Å; V17-I542 WeakPolarHBondContact CA-O 3.38Å; V17-L543 HydrophobicContact CG1-CD2 4.46Å; V17-L543 HydrophobicContact CG2-CD2 3.88Å
18Y98.4Very high95.6Very high38 Ų3850.1 Ų50.115%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-132164.8-171.6-48.3-68.1000112.1A21 A22 I542 A544 P555 A556 G557Y18-A21 WeakPolarHBondContact CB-O 3.49Å; Y18-A22 HydrophobicContact CD2-CB 3.65Å; Y18-A22 HydrophobicContact CE2-CB 4.15Å; Y18-A22 HydrophobicContact CG-CB 4.48Å; Y18-I542 PolarHBondContact N-O 3.38Å; Y18-I542 PolarHBondContact O-N 3.2Å; Y18-A544 HydrophobicContact CD2-CB 4.39Å; Y18-A544 HydrophobicContact CE2-CB 4.03Å; Y18-P555 HydrophobicContact CE2-CB 4.27Å; Y18-P555 VanDerWaalsContact OH-C 3.3Å; Y18-P555 PolarHBondContact OH-O 2.82Å; Y18-P555 VanDerWaalsContact OH-O 3.07Å; Y18-A556 WeakPolarHBondContact OH-CA 3.48Å; Y18-A556 PolarHBondContact OH-N 3.01Å; Y18-G557 VanDerWaalsContact CE1-CA 3.48Å; Y18-G557 VanDerWaalsContact CE1-N 3.27Å; Y18-G557 VanDerWaalsContact CZ-N 3.33Å
19K97.3Very high95.8Very high167 Ų16750.1 Ų50.173%0.72627%0.266SS*.SBendtrans-112-30.5-175.6-71.1-176.3179178.30113.5Y558K19-Y558 PolarHBondContact N-O 3.07Å
20H97.7Very high96.1Very high104 Ų10445.5 Ų45.548%0.48123%0.234SC..SBendtrans-120.8-44.5-169.4-59.3-62.1000112.2S376 Y558H20-S376 VanDerWaalsContact O-CA 3.26Å; H20-S376 WeakPolarHBondContact O-CA 3.5Å; H20-Y558 WeakPolarHBondContact CA-O 3.37Å; H20-Y558 HydrophobicContact CB-CD2 3.86Å; H20-Y558 HydrophobicContact CB-CE2 3.88Å; H20-Y558 WeakPolarHBondContact CB-O 3.43Å; H20-Y558 PolarHBondContact N-O 3.39Å
21A98.7Very high96.4Very high0 Ų040.5 Ų40.50%020%0.202CC..  trans-154.1157.4-175.500000112.2Y18 L38 L374 G557 Y558Y18-A21 WeakPolarHBondContact CB-O 3.49Å; A21-L38 HydrophobicContact CB-CD1 3.99Å; A21-L374 VanDerWaalsContact CA-O 3.29Å; A21-L374 WeakPolarHBondContact CA-O 3.39Å; A21-L374 WeakPolarHBondContact CB-O 3.14Å; A21-G557 CarbonylContact O-C 3.59Å; A21-G557 WeakPolarHBondContact O-CA 3.48Å; A21-Y558 HydrophobicContact CB-CD1 4.27Å; A21-Y558 HydrophobicContact CB-CE1 3.72Å; A21-Y558 HydrophobicContact CB-CE2 4.45Å; A21-Y558 PolarHBondContact N-O 2.99Å; A21-Y558 VanDerWaalsContact N-O 3.17Å; A21-Y558 PolarHBondContact O-N 3.03Å; A21-Y558 VanDerWaalsContact O-N 3.13Å
22A98.9Very high96.7Very high0 Ų042.5 Ų42.50%021%0.208CC..EExtended strand (participates in β ladder)trans-148.7149.1176.100000112.3Y18 V373 L374 I534 I542 A544 A556Y18-A22 HydrophobicContact CD2-CB 3.65Å; Y18-A22 HydrophobicContact CE2-CB 4.15Å; Y18-A22 HydrophobicContact CG-CB 4.48Å; A22-V373 WeakPolarHBondContact O-CA 3.35Å; A22-L374 PolarHBondContact N-O 3.3Å; A22-L374 PolarHBondContact O-N 3.02Å; A22-I534 HydrophobicContact CB-CD1 4.06Å; A22-I534 HydrophobicContact CB-CG1 4.35Å; A22-I534 HydrophobicContact CB-CG2 4.1Å; A22-I534 VanDerWaalsContact O-CD1 3.31Å; A22-I534 WeakPolarHBondContact O-CD1 3.06Å; A22-I542 HydrophobicContact CB-CG2 3.56Å; A22-A544 HydrophobicContact CB-CB 4.07Å; A22-A556 CarbonylContact C-O 3.55Å; A22-A556 WeakPolarHBondContact CA-O 3.39Å
23V98.9Very high97.1Very high0 Ų033.3 Ų33.30%017%0.169CC..EExtended strand (participates in β ladder)trans-128.5128170.3-176.50000107.3L38 T51 G372 V373 P555 A556V23-L38 HydrophobicContact CG2-CD1 3.75Å; V23-T51 HydrophobicContact CG1-CG2 4.27Å; V23-G372 WeakPolarHBondContact CA-O 3.37Å; V23-V373 HydrophobicContact CG1-CG2 4.22Å; V23-V373 HydrophobicContact CG2-CG1 4.23Å; V23-V373 HydrophobicContact CG2-CG2 4.32Å; V23-P555 CarbonylContact O-C 3.45Å; V23-P555 VanDerWaalsContact O-CA 3.24Å; V23-P555 WeakPolarHBondContact O-CA 3.08Å; V23-A556 PolarHBondContact N-O 2.93Å; V23-A556 PolarHBondContact O-N 3.04Å
24A98.6Very high97.4Very high0 Ų032.6 Ų32.60%016%0.164CC..EExtended strand (participates in β ladder)trans-124.7104.5173.900000108.8L371 G372 T532 I534 A544 P555A24-L371 CarbonylContact O-C 3.6Å; A24-L371 VanDerWaalsContact O-CA 3.27Å; A24-L371 WeakPolarHBondContact O-CA 3.31Å; A24-G372 PolarHBondContact N-O 2.75Å; A24-G372 PolarHBondContact O-N 3.08Å; A24-T532 VanDerWaalsContact O-CB 3.26Å; A24-T532 WeakPolarHBondContact O-CB 3.25Å; A24-T532 PolarHBondContact O-OG1 3.48Å; A24-I534 HydrophobicContact CB-CD1 4.45Å; A24-I534 HydrophobicContact CB-CG1 3.95Å; A24-A544 HydrophobicContact CB-CB 4.41Å; A24-P555 HydrophobicContact CB-CB 4.31Å
25A98Very high97.9Very high0 Ų030.6 Ų30.60%015%0.145CC..EExtended strand (participates in β ladder)trans-114.1158.817700000111.4N27 C30 S31 T51 I55 L371 S546A25-N27 PolarHBondContact O-N 3.21Å; A25-N27 VanDerWaalsContact O-N 3.14Å; A25-C30 HydrophobicContact CB-CB 4.4Å; A25-S31 WeakPolarHBondContact CB-OG 3.49Å; A25-S31 PolarHBondContact N-OG 3.42Å; A25-T51 HydrophobicContact CB-CG2 3.66Å; A25-I55 HydrophobicContact CB-CD1 4.04Å; A25-L371 HydrophobicContact CB-CB 4.11Å; A25-S546 WeakPolarHBondContact O-CB 3.28Å; A25-S546 PolarHBondContact O-OG 3.18Å
26D94.5Very high98Very high3 Ų331.3 Ų31.32%0.01615%0.15CC..SBendtrans-57.2-22.3172.1-877.8000113.5A369 H370 T532 K550 G553D26-A369 VanDerWaalsContact OD2-CA 3.25Å; D26-A369 WeakPolarHBondContact OD2-CA 3.31Å; D26-H370 PolarHBondContact N-O 2.85Å; D26-H370 PolarHBondContact OD2-N 2.87Å; D26-T532 WeakPolarHBondContact OD1-CG2 3.45Å; D26-K550 HydrophobicContact CB-CD 3.88Å; D26-K550 WeakPolarHBondContact OD2-CD 3.48Å; D26-K550 IonicContact OD2-NZ 3.66Å; D26-K550 PolarHBondContact OD2-NZ 2.82Å; D26-G553 WeakPolarHBondContact O-CA 3.08Å; D26-G553 PolarHBondContact O-N 2.96Å
27N95.8Very high98Very high6 Ų631.3 Ų31.33%0.03215%0.149CC..SBendtrans-125.4125.3176-167.5-64.8000110.6A25 I29 C30 S31 F58 D59A25-N27 PolarHBondContact O-N 3.21Å; A25-N27 VanDerWaalsContact O-N 3.14Å; N27-I29 PolarHBondContact O-N 3.34Å; N27-I29 PolarHBondContact OD1-N 3.33Å; N27-I29 VanDerWaalsContact OD1-N 3.16Å; N27-C30 HydrophobicContact CB-CB 4.28Å; N27-C30 WeakPolarHBondContact O-CB 3.49Å; N27-C30 PolarHBondContact O-N 2.84Å; N27-C30 VanDerWaalsContact O-N 3.1Å; N27-S31 PolarHBondContact O-N 2.79Å; N27-S31 VanDerWaalsContact O-N 3.08Å; N27-F58 HydrophobicContact CB-CB 4.44Å; N27-F58 WeakPolarHBondContact ND2-CB 3.45Å; N27-D59 PolarHBondContact ND2-OD1 3.27Å
28G96.7Very high98.1Very high0 Ų027.8 Ų27.80%013%0.127CC..Hα-helixtrans-69.9-30.4-172.600000115.1C30 S31 E32 G552 Y554G28-C30 PolarHBondContact O-N 2.69Å; G28-S31 WeakPolarHBondContact O-CB 3.43Å; G28-S31 PolarHBondContact O-N 3.08Å; G28-S31 VanDerWaalsContact O-N 3.11Å; G28-E32 PolarHBondContact O-N 3.34Å; G28-G552 PolarHBondContact N-O 2.73Å; G28-Y554 VanDerWaalsContact CA-CE1 3.47Å; G28-Y554 WeakPolarHBondContact CA-O 3.36Å; G28-Y554 WeakPolarHBondContact O-CE2 3.35Å
29I97.3Very high98.1Very high49 Ų4930.6 Ų30.625%0.25114%0.144SC..Hα-helixtrans-61.6-36.7171.9-67.1168000109.8N27 E32 I33 F58N27-I29 PolarHBondContact O-N 3.34Å; N27-I29 PolarHBondContact OD1-N 3.33Å; N27-I29 VanDerWaalsContact OD1-N 3.16Å; I29-E32 WeakPolarHBondContact O-CB 3.5Å; I29-E32 PolarHBondContact O-N 3.44Å; I29-I33 HydrophobicContact CG2-CD1 4.41Å; I29-I33 PolarHBondContact O-N 3.26Å; I29-F58 HydrophobicContact CB-CE1 4.41Å; I29-F58 HydrophobicContact CB-CE2 4.47Å; I29-F58 HydrophobicContact CB-CZ 4.2Å; I29-F58 HydrophobicContact CD1-CD1 4.25Å; I29-F58 HydrophobicContact CD1-CE1 3.47Å; I29-F58 VanDerWaalsContact CD1-CE1 3.47Å; I29-F58 HydrophobicContact CD1-CZ 3.81Å; I29-F58 HydrophobicContact CG2-CE1 4.34Å; I29-F58 HydrophobicContact CG2-CE2 3.83Å; I29-F58 HydrophobicContact CG2-CZ 3.67Å
30C98.6Very high98.1Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-72.6-31.8176.1-56.20000113A25 N27 G28 E32 G34 T51 C54 I55A25-C30 HydrophobicContact CB-CB 4.4Å; N27-C30 HydrophobicContact CB-CB 4.28Å; N27-C30 WeakPolarHBondContact O-CB 3.49Å; N27-C30 PolarHBondContact O-N 2.84Å; N27-C30 VanDerWaalsContact O-N 3.1Å; G28-C30 PolarHBondContact O-N 2.69Å; C30-E32 VanDerWaalsContact C-N 3.32Å; C30-G34 PolarHBondContact O-N 3Å; C30-T51 HydrophobicContact CB-CG2 4.08Å; C30-T51 WeakPolarHBondContact O-CG2 3.48Å; C30-T51 PolarHBondContact O-OG1 3.01Å; C30-T51 VanDerWaalsContact O-OG1 3.06Å; C30-C54 WeakPolarHBondContact CA-SG 3.34Å; C30-C54 HydrophobicContact CB-CB 3.62Å; C30-C54 WeakPolarHBondContact CB-SG 3.22Å; C30-C54 WeakPolarHBondContact SG-CB 3.42Å; C30-C54 PolarHBondContact SG-O 2.8Å; C30-C54 CovalentContact SG-SG 2.04Å; C30-C54 PolarHBondContact SG-SG 3.21Å; C30-I55 HydrophobicContact CB-CG1 3.89Å; C30-I55 PolarHBondContact SG-N 2.96Å; C30-I55 VanDerWaalsContact SG-N 3.35Å
31S98.7Very high98.2Very high0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-60.7-43.2167.4-59.10000111.1A25 N27 G28 G34 R35 Y554A25-S31 WeakPolarHBondContact CB-OG 3.49Å; A25-S31 PolarHBondContact N-OG 3.42Å; N27-S31 PolarHBondContact O-N 2.79Å; N27-S31 VanDerWaalsContact O-N 3.08Å; G28-S31 WeakPolarHBondContact O-CB 3.43Å; G28-S31 PolarHBondContact O-N 3.08Å; G28-S31 VanDerWaalsContact O-N 3.11Å; S31-G34 PolarHBondContact O-N 3.46Å; S31-R35 PolarHBondContact O-N 2.99Å; S31-Y554 WeakPolarHBondContact CB-O 3.45Å; S31-Y554 PolarHBondContact OG-O 3.29Å
32E98.7Very high98.2Very high65 Ų6526.9 Ų26.930%0.30414%0.144SC..Hα-helixtrans-65.1-41.8178.6-70.6-178.5-158.200113G28 I29 C30 G34 R35 N36 Y554 A556G28-E32 PolarHBondContact O-N 3.34Å; I29-E32 WeakPolarHBondContact O-CB 3.5Å; I29-E32 PolarHBondContact O-N 3.44Å; C30-E32 VanDerWaalsContact C-N 3.32Å; E32-G34 VanDerWaalsContact C-N 3.3Å; E32-G34 PolarHBondContact O-N 2.7Å; E32-R35 PolarHBondContact O-N 3.36Å; E32-N36 WeakPolarHBondContact O-CB 3.48Å; E32-N36 PolarHBondContact O-N 2.96Å; E32-N36 PolarHBondContact O-ND2 3.34Å; E32-N36 PolarHBondContact O-OD1 2.93Å; E32-Y554 HydrophobicContact CG-CE2 4Å; E32-Y554 VanDerWaalsContact OE1-CE2 3.23Å; E32-Y554 WeakPolarHBondContact OE1-CE2 3.44Å; E32-Y554 VanDerWaalsContact OE1-CZ 3.31Å; E32-Y554 PolarHBondContact OE1-OH 3.13Å; E32-A556 HydrophobicContact CG-CB 4.18Å
33I98.7Very high98.2Very high15 Ų1527.9 Ų27.98%0.07715%0.149CC..Hα-helixtrans-59.1-45.6173.3-73.9169.5000110.2I29 R35 N36 V37 A50 C54 I145I29-I33 HydrophobicContact CG2-CD1 4.41Å; I29-I33 PolarHBondContact O-N 3.26Å; I33-R35 PolarHBondContact O-N 3.24Å; I33-N36 PolarHBondContact O-N 2.87Å; I33-V37 PolarHBondContact O-N 2.97Å; I33-A50 HydrophobicContact CG2-CB 3.98Å; I33-C54 HydrophobicContact CD1-CB 3.99Å; I33-I145 HydrophobicContact CD1-CD1 3.82Å
34G98.9Very high98.2Very high0 Ų027.9 Ų27.90%015%0.149CC..Hα-helixtrans-59.3-45.5175.400000112.8C30 S31 E32 N36 V37 L38 S47 T51C30-G34 PolarHBondContact O-N 3Å; S31-G34 PolarHBondContact O-N 3.46Å; E32-G34 VanDerWaalsContact C-N 3.3Å; E32-G34 PolarHBondContact O-N 2.7Å; G34-N36 VanDerWaalsContact C-N 3.33Å; G34-N36 PolarHBondContact O-N 3.12Å; G34-V37 WeakPolarHBondContact O-CB 3.5Å; G34-V37 PolarHBondContact O-N 3.42Å; G34-L38 WeakPolarHBondContact O-CG 3.28Å; G34-L38 PolarHBondContact O-N 2.57Å; G34-S47 VanDerWaalsContact CA-OG 3.32Å; G34-S47 WeakPolarHBondContact CA-OG 3.46Å; G34-S47 PolarHBondContact O-OG 2.86Å; G34-T51 WeakPolarHBondContact CA-OG1 3.29Å; G34-T51 PolarHBondContact N-OG1 3.42Å
35R98.8Very high98.2Very high63 Ų6328.2 Ų28.224%0.23815%0.151CC..Hα-helixtrans-60.3-43.5175-179.5-155.862.3-152.3-7.8111.2S31 E32 I33 V37 L38 L39 A556 G557 Y558S31-R35 PolarHBondContact O-N 2.99Å; E32-R35 PolarHBondContact O-N 3.36Å; I33-R35 PolarHBondContact O-N 3.24Å; R35-V37 VanDerWaalsContact C-N 3.27Å; R35-V37 PolarHBondContact O-N 3.43Å; R35-L38 WeakPolarHBondContact O-CB 3.33Å; R35-L38 PolarHBondContact O-N 3.43Å; R35-L38 VanDerWaalsContact O-N 3.12Å; R35-L39 HydrophobicContact CG-CD1 4.14Å; R35-L39 HydrophobicContact CG-CG 4.47Å; R35-L39 WeakPolarHBondContact O-CG 3.41Å; R35-L39 PolarHBondContact O-N 2.69Å; R35-A556 HydrophobicContact CB-CB 3.88Å; R35-A556 HydrophobicContact CG-CB 4.44Å; R35-G557 WeakPolarHBondContact CD-O 3.47Å; R35-Y558 HydrophobicContact CG-CD1 3.99Å
36N98.8Very high98.2Very high63 Ų6328.2 Ų28.234%0.33715%0.151SC..Hα-helixtrans-64.4-33.6-178.9-66.8-12.9000111.7E32 I33 G34 K40E32-N36 WeakPolarHBondContact O-CB 3.48Å; E32-N36 PolarHBondContact O-N 2.96Å; E32-N36 PolarHBondContact O-ND2 3.34Å; E32-N36 PolarHBondContact O-OD1 2.93Å; I33-N36 PolarHBondContact O-N 2.87Å; G34-N36 VanDerWaalsContact C-N 3.33Å; G34-N36 PolarHBondContact O-N 3.12Å; N36-K40 VanDerWaalsContact O-CG 3.31Å; N36-K40 WeakPolarHBondContact O-CG 3.32Å; N36-K40 PolarHBondContact O-N 3.28Å; N36-K40 VanDerWaalsContact O-N 3.15Å
37V98.9Very high98.4Very high5 Ų528 Ų283%0.0315%0.15CC..Hα-helixtrans-62.7-45.5171165.20000111.4I33 G34 R35 L39 K40 G41 G42 D46 A50 L133 L138I33-V37 PolarHBondContact O-N 2.97Å; G34-V37 WeakPolarHBondContact O-CB 3.5Å; G34-V37 PolarHBondContact O-N 3.42Å; R35-V37 VanDerWaalsContact C-N 3.27Å; R35-V37 PolarHBondContact O-N 3.43Å; V37-L39 PolarHBondContact O-N 3.17Å; V37-K40 PolarHBondContact O-N 3.05Å; V37-G41 PolarHBondContact O-N 3.3Å; V37-G42 WeakPolarHBondContact O-CA 3.31Å; V37-G42 PolarHBondContact O-N 3.27Å; V37-D46 HydrophobicContact CG1-CB 3.78Å; V37-A50 HydrophobicContact CG2-CB 3.66Å; V37-L133 HydrophobicContact CB-CD1 4.45Å; V37-L133 HydrophobicContact CG1-CD1 3.89Å; V37-L138 HydrophobicContact CG1-CD2 3.98Å; V37-L138 HydrophobicContact CG2-CD2 4.07Å
38L98.8Very high98.6Very high5 Ų527.9 Ų27.93%0.02615%0.15CC..Hα-helixtrans-62.9-42.9177.6-64.1170.4000111.8A21 V23 G34 R35 K40 G41 N43 V373 D375 Y558A21-L38 HydrophobicContact CB-CD1 3.99Å; V23-L38 HydrophobicContact CG2-CD1 3.75Å; G34-L38 WeakPolarHBondContact O-CG 3.28Å; G34-L38 PolarHBondContact O-N 2.57Å; R35-L38 WeakPolarHBondContact O-CB 3.33Å; R35-L38 PolarHBondContact O-N 3.43Å; R35-L38 VanDerWaalsContact O-N 3.12Å; L38-K40 PolarHBondContact O-N 2.9Å; L38-G41 PolarHBondContact O-N 3.05Å; L38-N43 WeakPolarHBondContact CD2-O 3.47Å; L38-V373 HydrophobicContact CD1-CG1 4.15Å; L38-D375 HydrophobicContact CD2-CB 3.76Å; L38-Y558 HydrophobicContact CB-CE1 3.77Å; L38-Y558 PolarHBondContact O-OH 2.67Å
39L98.6Very high98.7Very high97 Ų9728 Ų2851%0.50815%0.15SC..Hα-helixtrans-61.6-29.6175.9-74.4170.7000113.3R35 V37 G41 Y558R35-L39 HydrophobicContact CG-CD1 4.14Å; R35-L39 HydrophobicContact CG-CG 4.47Å; R35-L39 WeakPolarHBondContact O-CG 3.41Å; R35-L39 PolarHBondContact O-N 2.69Å; V37-L39 PolarHBondContact O-N 3.17Å; L39-G41 PolarHBondContact O-N 3.22Å; L39-Y558 HydrophobicContact CD2-CD1 3.55Å; L39-Y558 HydrophobicContact CD2-CD2 3.86Å; L39-Y558 HydrophobicContact CD2-CE1 3.7Å; L39-Y558 HydrophobicContact CD2-CE2 3.99Å; L39-Y558 HydrophobicContact CD2-CG 3.63Å; L39-Y558 HydrophobicContact CG-CD1 3.79Å; L39-Y558 HydrophobicContact CG-CE1 3.77Å; L39-Y558 HydrophobicContact CG-CG 4.37Å
40K98.4Very high98.8Very high134 Ų13425.7 Ų25.758%0.58314%0.138SC*.THydrogen-bonded Turntrans-79.6-1.6175.9-73.4175.5-179.5-175.90113.6N36 V37 L38 L133N36-K40 VanDerWaalsContact O-CG 3.31Å; N36-K40 WeakPolarHBondContact O-CG 3.32Å; N36-K40 PolarHBondContact O-N 3.28Å; N36-K40 VanDerWaalsContact O-N 3.15Å; V37-K40 PolarHBondContact O-N 3.05Å; L38-K40 PolarHBondContact O-N 2.9Å; K40-L133 HydrophobicContact CB-CD1 3.85Å; K40-L133 HydrophobicContact CB-CD2 4.24Å
41G98.3Very high98.8Very high51 Ų5125.7 Ų25.753%0.52614%0.138SC..THydrogen-bonded Turntrans95.39.7-177.400000114.5V37 L38 L39 K132V37-G41 PolarHBondContact O-N 3.3Å; L38-G41 PolarHBondContact O-N 3.05Å; L39-G41 PolarHBondContact O-N 3.22Å; G41-K132 WeakPolarHBondContact O-CB 3.32Å
42G98.7Very high98.8Very high9 Ų925.7 Ų25.79%0.09314%0.139CC..  trans-64.4156.1167.100000112V37V37-G42 WeakPolarHBondContact O-CA 3.31Å; V37-G42 PolarHBondContact O-N 3.27Å
43N98.7Very high98.8Very high20 Ų2023 Ų2311%0.10713%0.126CC..  trans-95.5-177.9172.171.114.2000112.4L38 V45 D46 S47 Y129 K132L38-N43 WeakPolarHBondContact CD2-O 3.47Å; N43-V45 PolarHBondContact O-N 3.39Å; N43-V45 WeakPolarHBondContact OD1-CA 3.4Å; N43-V45 WeakPolarHBondContact OD1-CB 3.45Å; N43-V45 PolarHBondContact OD1-N 3.38Å; N43-D46 PolarHBondContact N-OD2 3.47Å; N43-D46 PolarHBondContact O-N 2.67Å; N43-D46 PolarHBondContact OD1-N 3.46Å; N43-D46 PolarHBondContact OD1-OD2 3.03Å; N43-S47 WeakPolarHBondContact O-CB 3.49Å; N43-S47 PolarHBondContact O-N 2.92Å; N43-Y129 PolarHBondContact ND2-O 2.92Å; N43-K132 HydrophobicContact CB-CG 3.95Å
44A98.9Very high98.8Very high1 Ų122.2 Ų22.21%0.00812%0.122CC..Hα-helixtrans-57.2-32.3179.500000113.5A48 V373 D375 N379 V381A44-A48 VanDerWaalsContact O-CB 3.28Å; A44-A48 WeakPolarHBondContact O-CB 3.35Å; A44-A48 PolarHBondContact O-N 3.24Å; A44-V373 HydrophobicContact CB-CB 4.44Å; A44-V373 HydrophobicContact CB-CG1 3.86Å; A44-D375 HydrophobicContact CB-CB 3.91Å; A44-D375 WeakPolarHBondContact CB-OD2 3.33Å; A44-D375 PolarHBondContact N-OD2 3.43Å; A44-N379 HydrophobicContact CB-CB 4.12Å; A44-V381 HydrophobicContact CB-CG2 4Å
45V98.9Very high98.8Very high6 Ų622.4 Ų22.44%0.03612%0.123CC..Hα-helixtrans-75-45.8179.4179.80000110.9N43 S47 A48 I49 I73 A125 V381N43-V45 PolarHBondContact O-N 3.39Å; N43-V45 WeakPolarHBondContact OD1-CA 3.4Å; N43-V45 WeakPolarHBondContact OD1-CB 3.45Å; N43-V45 PolarHBondContact OD1-N 3.38Å; V45-S47 VanDerWaalsContact C-N 3.28Å; V45-S47 PolarHBondContact O-N 3.08Å; V45-A48 PolarHBondContact O-N 3.32Å; V45-I49 HydrophobicContact CG1-CD1 3.98Å; V45-I49 WeakPolarHBondContact O-CD1 3.36Å; V45-I49 VanDerWaalsContact O-CG1 3.3Å; V45-I49 WeakPolarHBondContact O-CG1 3.29Å; V45-I49 PolarHBondContact O-N 3.5Å; V45-I73 HydrophobicContact CG2-CD1 4Å; V45-I73 HydrophobicContact CG2-CG1 4.29Å; V45-I73 HydrophobicContact CG2-CG2 3.77Å; V45-A125 HydrophobicContact CG1-CB 3.97Å; V45-V381 HydrophobicContact CG2-CG2 3.93Å
46D98.9Very high98.7Very high0 Ų019.9 Ų19.90%012%0.117CC..Hα-helixtrans-57.4-45.1174.8-65.2-39.6000111.1V37 N43 I49 A50 G130 G131 K132 L138V37-D46 HydrophobicContact CG1-CB 3.78Å; N43-D46 PolarHBondContact N-OD2 3.47Å; N43-D46 PolarHBondContact O-N 2.67Å; N43-D46 PolarHBondContact OD1-N 3.46Å; N43-D46 PolarHBondContact OD1-OD2 3.03Å; D46-I49 PolarHBondContact O-N 3.26Å; D46-A50 PolarHBondContact O-N 2.83Å; D46-A50 VanDerWaalsContact O-N 3.13Å; D46-G130 WeakPolarHBondContact OD1-CA 3.21Å; D46-G131 PolarHBondContact OD1-N 3.22Å; D46-K132 WeakPolarHBondContact OD2-CA 3.4Å; D46-K132 WeakPolarHBondContact OD2-CB 3.17Å; D46-K132 PolarHBondContact OD2-N 3.3Å; D46-L138 HydrophobicContact CB-CD1 4.23Å; D46-L138 HydrophobicContact CB-CD2 3.92Å
47S98.9Very high98.7Very high0 Ų017 Ų170%010%0.101CC..Hα-helixtrans-62.6-47177.1-177.50000111.9G34 N43 V45 I49 A50 T51G34-S47 VanDerWaalsContact CA-OG 3.32Å; G34-S47 WeakPolarHBondContact CA-OG 3.46Å; G34-S47 PolarHBondContact O-OG 2.86Å; N43-S47 WeakPolarHBondContact O-CB 3.49Å; N43-S47 PolarHBondContact O-N 2.92Å; V45-S47 VanDerWaalsContact C-N 3.28Å; V45-S47 PolarHBondContact O-N 3.08Å; S47-I49 VanDerWaalsContact C-N 3.31Å; S47-I49 PolarHBondContact O-N 3.33Å; S47-A50 PolarHBondContact O-N 3.26Å; S47-T51 WeakPolarHBondContact O-CB 3.48Å; S47-T51 PolarHBondContact O-N 2.89Å; S47-T51 PolarHBondContact O-OG1 3.37Å; S47-T51 VanDerWaalsContact O-OG1 3.12Å
48A98.9Very high98.6Very high3 Ų317 Ų173%0.02510%0.101CC..Hα-helixtrans-60.5-38.3177.700000112.6A44 V45 T52 L371 V373 V381A44-A48 VanDerWaalsContact O-CB 3.28Å; A44-A48 WeakPolarHBondContact O-CB 3.35Å; A44-A48 PolarHBondContact O-N 3.24Å; V45-A48 PolarHBondContact O-N 3.32Å; A48-T52 WeakPolarHBondContact O-CB 3.48Å; A48-T52 PolarHBondContact O-N 3.19Å; A48-T52 PolarHBondContact O-OG1 3.41Å; A48-L371 HydrophobicContact CB-CD1 3.99Å; A48-V373 HydrophobicContact CB-CG2 4Å; A48-V381 HydrophobicContact CB-CB 3.92Å; A48-V381 HydrophobicContact CB-CG1 3.67Å; A48-V381 HydrophobicContact CB-CG2 4.23Å
49I98.9Very high98.5Very high2 Ų216.8 Ų16.81%0.0110%0.1CC..Hα-helixtrans-62.6-53176-69.1157.5000110.6V45 D46 S47 T51 T52 I53 L122 Y126 W135 L138V45-I49 HydrophobicContact CG1-CD1 3.98Å; V45-I49 WeakPolarHBondContact O-CD1 3.36Å; V45-I49 VanDerWaalsContact O-CG1 3.3Å; V45-I49 WeakPolarHBondContact O-CG1 3.29Å; V45-I49 PolarHBondContact O-N 3.5Å; D46-I49 PolarHBondContact O-N 3.26Å; S47-I49 VanDerWaalsContact C-N 3.31Å; S47-I49 PolarHBondContact O-N 3.33Å; I49-T51 VanDerWaalsContact C-N 3.31Å; I49-T51 PolarHBondContact O-N 3.32Å; I49-T52 PolarHBondContact O-N 2.97Å; I49-T52 VanDerWaalsContact O-N 3.14Å; I49-I53 WeakPolarHBondContact O-CG1 3.37Å; I49-I53 PolarHBondContact O-N 3.26Å; I49-L122 HydrophobicContact CG1-CB 4.34Å; I49-L122 HydrophobicContact CG1-CD2 4.01Å; I49-L122 HydrophobicContact CG2-CB 4.48Å; I49-Y126 HydrophobicContact CD1-CD2 4.09Å; I49-Y126 HydrophobicContact CD1-CG 4.4Å; I49-W135 HydrophobicContact CD1-CZ3 4.25Å; I49-W135 HydrophobicContact CG2-CE3 4.48Å; I49-W135 HydrophobicContact CG2-CH2 4Å; I49-W135 HydrophobicContact CG2-CZ3 3.68Å; I49-L138 HydrophobicContact CB-CD1 4.12Å; I49-L138 HydrophobicContact CD1-CD1 4.18Å; I49-L138 HydrophobicContact CG2-CB 4.2Å; I49-L138 HydrophobicContact CG2-CD1 3.93Å
50A98.9Very high98.4Very high0 Ų012.2 Ų12.20%08%0.076CC..Hα-helixtrans-60.8-41.8-17900000112I33 V37 D46 S47 I53 C54 L138I33-A50 HydrophobicContact CG2-CB 3.98Å; V37-A50 HydrophobicContact CG2-CB 3.66Å; D46-A50 PolarHBondContact O-N 2.83Å; D46-A50 VanDerWaalsContact O-N 3.13Å; S47-A50 PolarHBondContact O-N 3.26Å; A50-I53 PolarHBondContact O-N 3.11Å; A50-C54 PolarHBondContact O-N 3.38Å; A50-L138 WeakPolarHBondContact CA-O 3.43Å; A50-L138 HydrophobicContact CB-CB 4.16Å; A50-L138 HydrophobicContact CB-CD2 4.5Å; A50-L138 WeakPolarHBondContact CB-O 3.36Å
51T98.9Very high98.2Very high0 Ų06 Ų60%05%0.049CC..Hα-helixtrans-63.7-41.1175-62.70000111.8V23 A25 C30 G34 S47 I49 C54 I55 L371V23-T51 HydrophobicContact CG1-CG2 4.27Å; A25-T51 HydrophobicContact CB-CG2 3.66Å; C30-T51 HydrophobicContact CB-CG2 4.08Å; C30-T51 WeakPolarHBondContact O-CG2 3.48Å; C30-T51 PolarHBondContact O-OG1 3.01Å; C30-T51 VanDerWaalsContact O-OG1 3.06Å; G34-T51 WeakPolarHBondContact CA-OG1 3.29Å; G34-T51 PolarHBondContact N-OG1 3.42Å; S47-T51 WeakPolarHBondContact O-CB 3.48Å; S47-T51 PolarHBondContact O-N 2.89Å; S47-T51 PolarHBondContact O-OG1 3.37Å; S47-T51 VanDerWaalsContact O-OG1 3.12Å; I49-T51 VanDerWaalsContact C-N 3.31Å; I49-T51 PolarHBondContact O-N 3.32Å; T51-C54 WeakPolarHBondContact O-CB 3.44Å; T51-C54 PolarHBondContact O-N 3.35Å; T51-I55 HydrophobicContact CG2-CD1 3.95Å; T51-I55 HydrophobicContact CG2-CG1 4.39Å; T51-I55 VanDerWaalsContact O-CG1 3.28Å; T51-I55 WeakPolarHBondContact O-CG1 3.22Å; T51-I55 PolarHBondContact O-N 3.06Å; T51-L371 HydrophobicContact CG2-CB 4.13Å; T51-L371 HydrophobicContact CG2-CD1 4.41Å; T51-L371 HydrophobicContact CG2-CD2 3.88Å; T51-L371 HydrophobicContact CG2-CG 4.36Å
52T98.8Very high98.1Very high1 Ų13.7 Ų3.71%0.0063%0.025CC..Hα-helixtrans-62.5-46.6177.9-54.90000111.5A48 I49 C54 I55 G56 E118 L122 L371 L383A48-T52 WeakPolarHBondContact O-CB 3.48Å; A48-T52 PolarHBondContact O-N 3.19Å; A48-T52 PolarHBondContact O-OG1 3.41Å; I49-T52 PolarHBondContact O-N 2.97Å; I49-T52 VanDerWaalsContact O-N 3.14Å; T52-C54 VanDerWaalsContact C-N 3.3Å; T52-C54 PolarHBondContact O-N 2.61Å; T52-I55 PolarHBondContact O-N 2.98Å; T52-I55 VanDerWaalsContact O-N 3.16Å; T52-G56 PolarHBondContact O-N 3.44Å; T52-E118 HydrophobicContact CG2-CG 4.41Å; T52-L122 HydrophobicContact CG2-CD1 4.09Å; T52-L122 HydrophobicContact CG2-CD2 4.24Å; T52-L371 WeakPolarHBondContact OG1-CD2 3.29Å; T52-L383 HydrophobicContact CG2-CD2 4.17Å; T52-L383 WeakPolarHBondContact OG1-CD1 3.35Å
53I98.8Very high98Very high7 Ų73.4 Ų3.44%0.0362%0.022CC..Hα-helixtrans-60.1-42177.2-64.5-63.6000110.9I49 A50 G56 I65 L122 L139 T142 L201I49-I53 WeakPolarHBondContact O-CG1 3.37Å; I49-I53 PolarHBondContact O-N 3.26Å; A50-I53 PolarHBondContact O-N 3.11Å; I53-G56 PolarHBondContact O-N 3.44Å; I53-I65 HydrophobicContact CD1-CG2 3.97Å; I53-L122 HydrophobicContact CD1-CD1 3.8Å; I53-L122 HydrophobicContact CG1-CD1 4.24Å; I53-L139 HydrophobicContact CG1-CD1 4.25Å; I53-L139 HydrophobicContact CG1-CG 4.25Å; I53-L139 HydrophobicContact CG2-CG 4.42Å; I53-T142 HydrophobicContact CG2-CG2 3.98Å; I53-L201 HydrophobicContact CG2-CD1 4.2Å; I53-L201 HydrophobicContact CG2-CD2 3.83Å
54C98.8Very high98Very high0 Ų03 Ų30%02%0.022CC..Hα-helixtrans-61.7-45.3174175.40000112.8C30 I33 A50 T51 T52 G56 V57 F58 T142C30-C54 WeakPolarHBondContact CA-SG 3.34Å; C30-C54 HydrophobicContact CB-CB 3.62Å; C30-C54 WeakPolarHBondContact CB-SG 3.22Å; C30-C54 WeakPolarHBondContact SG-CB 3.42Å; C30-C54 PolarHBondContact SG-O 2.8Å; C30-C54 CovalentContact SG-SG 2.04Å; C30-C54 PolarHBondContact SG-SG 3.21Å; I33-C54 HydrophobicContact CD1-CB 3.99Å; A50-C54 PolarHBondContact O-N 3.38Å; T51-C54 WeakPolarHBondContact O-CB 3.44Å; T51-C54 PolarHBondContact O-N 3.35Å; T52-C54 VanDerWaalsContact C-N 3.3Å; T52-C54 PolarHBondContact O-N 2.61Å; C54-G56 VanDerWaalsContact C-N 3.26Å; C54-G56 PolarHBondContact O-N 2.89Å; C54-V57 WeakPolarHBondContact O-CB 3.35Å; C54-V57 PolarHBondContact O-N 3.35Å; C54-F58 PolarHBondContact O-N 2.85Å; C54-F58 WeakPolarHBondContact SG-CD2 3.19Å; C54-T142 HydrophobicContact CB-CG2 4.48Å
55I98.1Very high97.9Very high3 Ų33.6 Ų3.62%0.0153%0.025CC..Hα-helixtrans-59.2-40.3179.4-72.5170.6000110.2A25 C30 T51 T52 V57 F58 D59 A369 L371A25-I55 HydrophobicContact CB-CD1 4.04Å; C30-I55 HydrophobicContact CB-CG1 3.89Å; C30-I55 PolarHBondContact SG-N 2.96Å; C30-I55 VanDerWaalsContact SG-N 3.35Å; T51-I55 HydrophobicContact CG2-CD1 3.95Å; T51-I55 HydrophobicContact CG2-CG1 4.39Å; T51-I55 VanDerWaalsContact O-CG1 3.28Å; T51-I55 WeakPolarHBondContact O-CG1 3.22Å; T51-I55 PolarHBondContact O-N 3.06Å; T52-I55 PolarHBondContact O-N 2.98Å; T52-I55 VanDerWaalsContact O-N 3.16Å; I55-V57 PolarHBondContact O-N 3.26Å; I55-V57 VanDerWaalsContact O-N 3.07Å; I55-F58 PolarHBondContact O-N 3.35Å; I55-D59 HydrophobicContact CG2-CB 4.08Å; I55-D59 CarbonylContact O-C 3.26Å; I55-D59 VanDerWaalsContact O-CA 3.31Å; I55-D59 WeakPolarHBondContact O-CA 3.34Å; I55-D59 WeakPolarHBondContact O-CB 3.11Å; I55-D59 PolarHBondContact O-N 3.08Å; I55-A369 HydrophobicContact CG2-CB 3.44Å; I55-A369 VanDerWaalsContact CG2-CB 3.44Å; I55-L371 HydrophobicContact CD1-CB 4.03Å; I55-L371 HydrophobicContact CD1-CD2 3.69Å; I55-L371 HydrophobicContact CD1-CG 4.49Å
56G97.8Very high97.9Very high10 Ų103.3 Ų3.310%0.1032%0.023CC..Hα-helixtrans-60.1-18.5175.700000115T52 I53 C54 S63T52-G56 PolarHBondContact O-N 3.44Å; I53-G56 PolarHBondContact O-N 3.44Å; C54-G56 VanDerWaalsContact C-N 3.26Å; C54-G56 PolarHBondContact O-N 2.89Å; G56-S63 WeakPolarHBondContact CA-O 3.27Å
57V97.9Very high97.9Very high3 Ų33.3 Ų3.32%0.0182%0.023CC..Hα-helixtrans-93.5-55.1175.8174.50000111.4C54 I55 T142 C146 I150 L197 L201C54-V57 WeakPolarHBondContact O-CB 3.35Å; C54-V57 PolarHBondContact O-N 3.35Å; I55-V57 PolarHBondContact O-N 3.26Å; I55-V57 VanDerWaalsContact O-N 3.07Å; V57-T142 HydrophobicContact CB-CG2 4.07Å; V57-T142 HydrophobicContact CG2-CG2 3.46Å; V57-T142 VanDerWaalsContact CG2-CG2 3.46Å; V57-C146 VanDerWaalsContact CG1-SG 3.53Å; V57-C146 VanDerWaalsContact CG2-SG 3.55Å; V57-I150 HydrophobicContact CG1-CD1 3.44Å; V57-I150 VanDerWaalsContact CG1-CD1 3.44Å; V57-I150 HydrophobicContact CG1-CG1 3.75Å; V57-I150 HydrophobicContact CG1-CG2 4.39Å; V57-L197 HydrophobicContact CG2-CD2 3.86Å; V57-L201 HydrophobicContact CG2-CD1 4.26Å
58F97.2Very high97.8Very high5 Ų53.3 Ų3.32%0.0222%0.023CC..Hα-helixtrans-75.6-31.1-174.3-81-90.5000113.2N27 I29 C54 I55 I145 I150N27-F58 HydrophobicContact CB-CB 4.44Å; N27-F58 WeakPolarHBondContact ND2-CB 3.45Å; I29-F58 HydrophobicContact CB-CE1 4.41Å; I29-F58 HydrophobicContact CB-CE2 4.47Å; I29-F58 HydrophobicContact CB-CZ 4.2Å; I29-F58 HydrophobicContact CD1-CD1 4.25Å; I29-F58 HydrophobicContact CD1-CE1 3.47Å; I29-F58 VanDerWaalsContact CD1-CE1 3.47Å; I29-F58 HydrophobicContact CD1-CZ 3.81Å; I29-F58 HydrophobicContact CG2-CE1 4.34Å; I29-F58 HydrophobicContact CG2-CE2 3.83Å; I29-F58 HydrophobicContact CG2-CZ 3.67Å; C54-F58 PolarHBondContact O-N 2.85Å; C54-F58 WeakPolarHBondContact SG-CD2 3.19Å; I55-F58 PolarHBondContact O-N 3.35Å; F58-I145 HydrophobicContact CE2-CD1 4.3Å; F58-I145 HydrophobicContact CE2-CG2 3.86Å; F58-I145 HydrophobicContact CZ-CG2 3.74Å; F58-I150 HydrophobicContact CD1-CG2 3.91Å; F58-I150 HydrophobicContact CE1-CG2 3.82Å; F58-I150 HydrophobicContact CG-CG2 4.4Å; F58-I150 HydrophobicContact CZ-CG2 4.24Å
59D96.3Very high97.8Very high1 Ų13.1 Ų3.11%0.0052%0.022CC..THydrogen-bonded Turntrans-113.143.1177.2-64.4-5.3000110N27 I55 H61 S62 S63 K550N27-D59 PolarHBondContact ND2-OD1 3.27Å; I55-D59 HydrophobicContact CG2-CB 4.08Å; I55-D59 CarbonylContact O-C 3.26Å; I55-D59 VanDerWaalsContact O-CA 3.31Å; I55-D59 WeakPolarHBondContact O-CA 3.34Å; I55-D59 WeakPolarHBondContact O-CB 3.11Å; I55-D59 PolarHBondContact O-N 3.08Å; D59-H61 PolarHBondContact O-N 3.12Å; D59-S62 PolarHBondContact O-N 3.47Å; D59-S63 PolarHBondContact O-N 3.05Å; D59-K550 VanDerWaalsContact OD2-CE 3.26Å; D59-K550 WeakPolarHBondContact OD2-CE 3.49Å; D59-K550 IonicContact OD2-NZ 3.11Å; D59-K550 PolarHBondContact OD2-NZ 2.59Å
60A96.8Very high97.8Very high1 Ų13.1 Ų3.11%0.0082%0.021CC..THydrogen-bonded Turntrans-55.3-17.4-179.500000114.5S62 F177 I387 I403A60-S62 VanDerWaalsContact C-N 3.27Å; A60-F177 HydrophobicContact CB-CZ 4.22Å; A60-I387 WeakPolarHBondContact O-CD1 3.41Å; A60-I403 HydrophobicContact CB-CD1 3.92Å; A60-I403 VanDerWaalsContact O-CD1 3.27Å; A60-I403 WeakPolarHBondContact O-CD1 3.47Å
61H95.8Very high97.8Very high3 Ų33.2 Ų3.21%0.0142%0.022CC..THydrogen-bonded Turntrans-74.6-13.4171.963.8-85.1000113.1D59 L156 K159 Y390 F391D59-H61 PolarHBondContact O-N 3.12Å; H61-L156 HydrophobicContact CB-CD1 4.16Å; H61-K159 HydrophobicContact CB-CB 3.88Å; H61-K159 HydrophobicContact CB-CG 4.32Å; H61-K159 VanDerWaalsContact CD2-CG 3.41Å; H61-K159 WeakPolarHBondContact CD2-CG 3.41Å; H61-Y390 AromaticContact CD2-CD1 3.84Å; H61-Y390 CarbonylContact O-C 3.53Å; H61-Y390 WeakPolarHBondContact O-CA 3.46Å; H61-F391 HydrophobicContact CB-CD1 4.18Å; H61-F391 HydrophobicContact CB-CD2 4.31Å; H61-F391 HydrophobicContact CB-CE1 3.67Å; H61-F391 HydrophobicContact CB-CE2 3.81Å; H61-F391 HydrophobicContact CB-CG 4.46Å; H61-F391 HydrophobicContact CB-CZ 3.44Å; H61-F391 VanDerWaalsContact CB-CZ 3.44Å; H61-F391 PolarHBondContact O-N 2.79Å
62S95.3Very high97.8Very high3 Ų33.2 Ų3.22%0.0212%0.022CC..THydrogen-bonded Turntrans-130.8-22.2-170.2-67.70000115.2D59 A60 G367 T368 T386 I387D59-S62 PolarHBondContact O-N 3.47Å; A60-S62 VanDerWaalsContact C-N 3.27Å; S62-G367 CarbonylContact O-C 3.57Å; S62-T368 WeakPolarHBondContact CB-O 3.41Å; S62-T386 WeakPolarHBondContact O-CA 3.4Å; S62-I387 PolarHBondContact O-N 3.13Å
63S96.8Very high97.8Very high3 Ų33.3 Ų3.32%0.0212%0.023CC..  trans-152163.2-172.2168.80000110.4G56 D59 S385G56-S63 WeakPolarHBondContact CA-O 3.27Å; D59-S63 PolarHBondContact O-N 3.05Å; S63-S385 WeakPolarHBondContact CB-OG 3.34Å; S63-S385 WeakPolarHBondContact OG-CB 3.24Å; S63-S385 PolarHBondContact OG-OG 3.45Å
64G97.6Very high97.8Very high10 Ų103 Ų310%0.1032%0.021CC..  trans154.1165.3173.600000112.1G66 G67 E118G64-G66 PolarHBondContact O-N 3.22Å; G64-G67 PolarHBondContact O-N 3.08Å; G64-E118 WeakPolarHBondContact CA-OE1 3.44Å; G64-E118 VanDerWaalsContact O-OE1 3.06Å
65I98.3Very high97.8Very high14 Ų143.8 Ų3.87%0.0723%0.025CC..THydrogen-bonded Turntrans-58.7-14.5-17662.6175.7000114.6I53 G67 E118 L200 L204 F214 I402I53-I65 HydrophobicContact CD1-CG2 3.97Å; I65-G67 PolarHBondContact O-N 2.96Å; I65-E118 PolarHBondContact N-OE1 3.24Å; I65-L200 HydrophobicContact CD1-CD2 3.47Å; I65-L200 VanDerWaalsContact CD1-CD2 3.47Å; I65-L200 HydrophobicContact CD1-CG 4.48Å; I65-L204 HydrophobicContact CD1-CD1 4.2Å; I65-F214 HydrophobicContact CD1-CE2 4.04Å; I65-I402 HydrophobicContact CD1-CD1 4.22Å; I65-I402 HydrophobicContact CD1-CG1 4.09Å; I65-I402 HydrophobicContact CG1-CG1 4.3Å; I65-I402 HydrophobicContact CG1-CG2 4.15Å
66G98.4Very high97.8Very high0 Ų08 Ų80%04%0.041CC..THydrogen-bonded Turntrans-79.63.9171.300000114.5G64 I403 N405G64-G66 PolarHBondContact O-N 3.22Å; G66-I403 WeakPolarHBondContact CA-O 3.24Å; G66-N405 WeakPolarHBondContact O-CB 3.36Å; G66-N405 PolarHBondContact O-N 3.03Å; G66-N405 VanDerWaalsContact O-N 3.07Å; G66-N405 PolarHBondContact O-ND2 3.44Å
67G98.3Very high97.7Very high0 Ų014.1 Ų14.10%07%0.065CC..SBendtrans-123.3-143.6174.900000113.1G64 I65 E88 P116 G117 E118 T386G64-G67 PolarHBondContact O-N 3.08Å; I65-G67 PolarHBondContact O-N 2.96Å; G67-E88 WeakPolarHBondContact CA-OE1 3.47Å; G67-P116 CarbonylContact O-C 3.56Å; G67-G117 PolarHBondContact O-N 3.18Å; G67-E118 PolarHBondContact O-N 2.8Å; G67-T386 WeakPolarHBondContact CA-O 3.04Å
68G98.4Very high97.7Very high0 Ų019 Ų190%09%0.088CC..EExtended strand (participates in β ladder)trans-148.9169.7-175.300000112.9A86 E88 T386G68-A86 WeakPolarHBondContact CA-O 3.18Å; G68-E88 PolarHBondContact N-OE1 2.71Å; G68-T386 PolarHBondContact N-O 3.41Å; G68-T386 VanDerWaalsContact N-O 3.08Å; G68-T386 PolarHBondContact O-N 3.46Å
69H98.5Very high97.6Very high0 Ų024.9 Ų24.90%011%0.11CC..EExtended strand (participates in β ladder)trans-143.6162.3178.174-97.6000112.8A86 E118 L383 T384H69-A86 PolarHBondContact N-O 3.33Å; H69-A86 VanDerWaalsContact N-O 3.16Å; H69-A86 CarbonylContact O-C 3.52Å; H69-A86 VanDerWaalsContact O-C 3.26Å; H69-A86 WeakPolarHBondContact O-CA 3.31Å; H69-A86 WeakPolarHBondContact O-CB 3.5Å; H69-A86 PolarHBondContact O-N 2.84Å; H69-E118 IonicContact ND1-OE2 3.7Å; H69-L383 HydrophobicContact CB-CD2 4.13Å; H69-L383 HydrophobicContact CB-CG 4.4Å; H69-T384 WeakPolarHBondContact CA-O 3.24Å; H69-T384 WeakPolarHBondContact CB-O 3.5Å
70F98.7Very high97.7Very high1 Ų129.6 Ų29.60%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-115.3142.5156.4-68.9-73.2000109.3D85 R87 P263 P266 L383 T384 M440 P442F70-D85 HydrophobicContact CD1-CB 4.27Å; F70-D85 HydrophobicContact CE1-CB 4.02Å; F70-D85 VanDerWaalsContact CE1-OD1 3.25Å; F70-D85 WeakPolarHBondContact CE1-OD1 3.32Å; F70-R87 HydrophobicContact CE1-CB 4.06Å; F70-R87 HydrophobicContact CE2-CB 4.21Å; F70-R87 HydrophobicContact CE2-CG 4.26Å; F70-R87 HydrophobicContact CZ-CB 3.64Å; F70-R87 HydrophobicContact CZ-CG 3.92Å; F70-P263 HydrophobicContact CB-CB 4.21Å; F70-P263 HydrophobicContact CB-CG 3.7Å; F70-P263 HydrophobicContact CD1-CB 4.03Å; F70-P263 HydrophobicContact CD1-CG 4.44Å; F70-P263 HydrophobicContact CG-CB 4.36Å; F70-P263 HydrophobicContact CG-CG 4.28Å; F70-P266 HydrophobicContact CZ-CG 4.01Å; F70-L383 WeakPolarHBondContact O-CA 3.46Å; F70-T384 PolarHBondContact N-O 2.74Å; F70-T384 PolarHBondContact O-N 3.11Å; F70-M440 HydrophobicContact CD2-CB 3.87Å; F70-M440 HydrophobicContact CD2-CE 3.45Å; F70-M440 VanDerWaalsContact CD2-CE 3.45Å; F70-M440 HydrophobicContact CD2-SD 4.15Å; F70-M440 HydrophobicContact CE2-CE 3.64Å; F70-P442 HydrophobicContact CB-CG 4.14Å
71S98.8Very high97.8Very high3 Ų329.8 Ų29.82%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-136.8153.6168.562.70000111.9A83 I84 A382S71-A83 CarbonylContact O-C 3.54Å; S71-A83 VanDerWaalsContact O-CA 3.3Å; S71-A83 WeakPolarHBondContact O-CA 3.28Å; S71-I84 PolarHBondContact N-O 3.35Å; S71-I84 VanDerWaalsContact N-O 3.12Å; S71-I84 PolarHBondContact O-N 2.97Å; S71-I84 WeakPolarHBondContact OG-CB 3.46Å; S71-A382 CarbonylContact C-O 3.4Å; S71-A382 WeakPolarHBondContact CA-O 3.31Å; S71-A382 WeakPolarHBondContact CB-O 3.49Å
72V98.9Very high97.9Very high0 Ų030 Ų300%013%0.13CC..EExtended strand (participates in β ladder)trans-121.3128.1165.563.30000108.7C81 V82 V381 A382 V444V72-C81 HydrophobicContact CG2-CB 3.86Å; V72-V82 CarbonylContact C-O 3.56Å; V72-V82 WeakPolarHBondContact CA-O 3.18Å; V72-V381 WeakPolarHBondContact O-CA 3.4Å; V72-A382 HydrophobicContact CG1-CB 3.98Å; V72-A382 PolarHBondContact N-O 3.43Å; V72-A382 PolarHBondContact O-N 3.34Å; V72-V444 HydrophobicContact CG1-CB 4.46Å; V72-V444 HydrophobicContact CG1-CG2 3.97Å
73I98.9Very high98.1Very high2 Ų229.8 Ų29.81%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-108.7119179.7-55.6169.2000106.9V45 L75 C81 V82 I84 A125 Y129 A380 V381V45-I73 HydrophobicContact CG2-CD1 4Å; V45-I73 HydrophobicContact CG2-CG1 4.29Å; V45-I73 HydrophobicContact CG2-CG2 3.77Å; I73-L75 HydrophobicContact CG2-CD2 3.94Å; I73-L75 HydrophobicContact CG2-CG 4.24Å; I73-C81 CarbonylContact O-C 3.48Å; I73-C81 VanDerWaalsContact O-CA 3.26Å; I73-C81 WeakPolarHBondContact O-CA 3.42Å; I73-V82 PolarHBondContact N-O 3.3Å; I73-V82 PolarHBondContact O-N 3.41Å; I73-I84 HydrophobicContact CD1-CD1 4.46Å; I73-I84 HydrophobicContact CD1-CG1 4.06Å; I73-A125 HydrophobicContact CD1-CB 4.37Å; I73-Y129 HydrophobicContact CD1-CD2 3.59Å; I73-Y129 HydrophobicContact CD1-CE2 4.37Å; I73-Y129 HydrophobicContact CD1-CG 4.14Å; I73-A380 CarbonylContact C-O 3.56Å; I73-A380 WeakPolarHBondContact CA-O 3.46Å; I73-V381 HydrophobicContact CG1-CG2 4.17Å; I73-V381 HydrophobicContact CG2-CG2 4.32Å
74Y98.9Very high98.2Very high0 Ų029.7 Ų29.70%013%0.128CC..EExtended strand (participates in β ladder)trans-98.4123.2170.9178-109.4000110R76 C81 N379 A380 V444 Y446 G451 V453Y74-R76 HydrophobicContact CD1-CB 4.45Å; Y74-R76 HydrophobicContact CE1-CB 3.89Å; Y74-R76 HydrophobicContact CE1-CG 4.48Å; Y74-C81 VanDerWaalsContact CD2-SG 3.57Å; Y74-N379 VanDerWaalsContact O-CA 3.26Å; Y74-N379 WeakPolarHBondContact O-CA 3.27Å; Y74-N379 WeakPolarHBondContact O-CB 3.37Å; Y74-A380 PolarHBondContact N-O 3.17Å; Y74-A380 PolarHBondContact O-N 2.85Å; Y74-V444 HydrophobicContact CG-CG1 4.12Å; Y74-Y446 HydrophobicContact CD2-CD1 4.06Å; Y74-Y446 HydrophobicContact CD2-CE1 4.3Å; Y74-Y446 HydrophobicContact CD2-CG 4.24Å; Y74-Y446 AromaticContact CE2-CD1 3.83Å; Y74-Y446 HydrophobicContact CE2-CD1 3.83Å; Y74-Y446 AromaticContact CE2-CD2 3.63Å; Y74-Y446 HydrophobicContact CE2-CD2 3.63Å; Y74-Y446 HydrophobicContact CE2-CE1 4.07Å; Y74-Y446 AromaticContact CE2-CE2 3.86Å; Y74-Y446 HydrophobicContact CE2-CE2 3.86Å; Y74-Y446 AromaticContact CE2-CG 3.61Å; Y74-Y446 HydrophobicContact CE2-CG 3.61Å; Y74-Y446 AromaticContact CZ-CD2 3.74Å; Y74-Y446 AromaticContact CZ-CG 3.76Å; Y74-Y446 WeakPolarHBondContact OH-CD2 3.45Å; Y74-G451 VanDerWaalsContact CE1-O 3.26Å; Y74-G451 WeakPolarHBondContact CE1-O 3.39Å; Y74-G451 VanDerWaalsContact OH-CA 3.23Å; Y74-G451 WeakPolarHBondContact OH-CA 3.38Å; Y74-G451 PolarHBondContact OH-O 2.82Å; Y74-V453 HydrophobicContact CD1-CG2 3.37Å; Y74-V453 HydrophobicContact CE1-CG2 3.66Å; Y74-V453 HydrophobicContact CG-CG2 4.41Å
75L98.5Very high98.2Very high17 Ų1729.4 Ų29.49%0.08912%0.124CC..EExtended strand (participates in β ladder)trans-105.6101.7178.3-56.4165.2000109.4I73 K77 Q78 R79 R80 Y129I73-L75 HydrophobicContact CG2-CD2 3.94Å; I73-L75 HydrophobicContact CG2-CG 4.24Å; L75-K77 PolarHBondContact O-N 2.82Å; L75-Q78 CarbonylContact O-C 3.57Å; L75-Q78 PolarHBondContact O-N 3.31Å; L75-Q78 VanDerWaalsContact O-N 3.11Å; L75-R79 PolarHBondContact O-N 2.95Å; L75-R80 PolarHBondContact N-O 2.81Å; L75-Y129 HydrophobicContact CD1-CD1 3.97Å; L75-Y129 HydrophobicContact CD1-CE1 4.16Å
76R97.9Very high98.2Very high91 Ų9128.7 Ų28.734%0.34312%0.12SC..G310 helixtrans-59.9-42.3-169173.6167.5-178-85.80.1113.3Y74 Q78 R79 E377 G378 N379 G451 D452Y74-R76 HydrophobicContact CD1-CB 4.45Å; Y74-R76 HydrophobicContact CE1-CB 3.89Å; Y74-R76 HydrophobicContact CE1-CG 4.48Å; R76-Q78 VanDerWaalsContact C-N 3.25Å; R76-Q78 PolarHBondContact O-N 3.19Å; R76-R79 VanDerWaalsContact O-CG 3.32Å; R76-R79 WeakPolarHBondContact O-CG 3.14Å; R76-R79 PolarHBondContact O-N 3.41Å; R76-R79 VanDerWaalsContact O-N 3.1Å; R76-E377 WeakPolarHBondContact CD-O 3.4Å; R76-G378 VanDerWaalsContact CB-O 3.31Å; R76-G378 WeakPolarHBondContact CB-O 3.42Å; R76-N379 PolarHBondContact N-OD1 3.41Å; R76-G451 WeakPolarHBondContact CG-O 3.21Å; R76-D452 IonicContact CZ-OD1 3.78Å; R76-D452 IonicContact NE-OD1 3Å; R76-D452 PolarHBondContact NE-OD1 3.35Å; R76-D452 IonicContact NH2-OD1 3.83Å; R76-D452 PolarHBondContact NH2-OD1 2.86Å
77K96.6Very high98.2Very high139 Ų13928.7 Ų28.760%0.60412%0.12SC*.G310 helixtrans-60.4-34.7179.4-73.4173.8179.2155.50112.4L75 E377L75-K77 PolarHBondContact O-N 2.82Å; K77-E377 IonicContact NZ-OE1 3.54Å; K77-E377 PolarHBondContact NZ-OE1 3.05Å; K77-E377 IonicContact NZ-OE2 3.47Å; K77-E377 PolarHBondContact NZ-OE2 2.8Å
78Q96.9Very high98.2Very high107 Ų10728.7 Ų28.750%0.512%0.12SC..G310 helixtrans-95.1-6.1177.2-60.29133.200113.5L75 R76 R80L75-Q78 CarbonylContact O-C 3.57Å; L75-Q78 PolarHBondContact O-N 3.31Å; L75-Q78 VanDerWaalsContact O-N 3.11Å; R76-Q78 VanDerWaalsContact C-N 3.25Å; R76-Q78 PolarHBondContact O-N 3.19Å; Q78-R80 HydrophobicContact CB-CG 3.87Å; Q78-R80 PolarHBondContact O-N 3.2Å
79R96.5Very high98.2Very high128 Ų12830.3 Ų30.348%0.48313%0.128SC..THydrogen-bonded Turntrans50.643.2-179.2-56.5-179.7178-171.4-8.8113L75 R76 A449 S450L75-R79 PolarHBondContact O-N 2.95Å; R76-R79 VanDerWaalsContact O-CG 3.32Å; R76-R79 WeakPolarHBondContact O-CG 3.14Å; R76-R79 PolarHBondContact O-N 3.41Å; R76-R79 VanDerWaalsContact O-N 3.1Å; R79-A449 PolarHBondContact NH1-O 3.49Å; R79-A449 PolarHBondContact NH2-O 3.17Å; R79-A449 VanDerWaalsContact NH2-O 3.11Å; R79-S450 PolarHBondContact NH2-O 3.11Å; R79-S450 VanDerWaalsContact NH2-O 3.08Å
80R97.1Very high98.2Very high100 Ų10030.3 Ų30.338%0.37713%0.128SC..EExtended strand (participates in β ladder)trans-140.7150.5-177.372.9-175.5-175.476.46.2111.4L75 Q78L75-R80 PolarHBondContact N-O 2.81Å; Q78-R80 HydrophobicContact CB-CG 3.87Å; Q78-R80 PolarHBondContact O-N 3.2Å
81C98.6Very high98.2Very high5 Ų530.3 Ų30.33%0.03413%0.128CC..EExtended strand (participates in β ladder)trans-95.9157.6170.9-59.50000111.8V72 I73 Y74 P249 C261V72-C81 HydrophobicContact CG2-CB 3.86Å; I73-C81 CarbonylContact O-C 3.48Å; I73-C81 VanDerWaalsContact O-CA 3.26Å; I73-C81 WeakPolarHBondContact O-CA 3.42Å; Y74-C81 VanDerWaalsContact CD2-SG 3.57Å; C81-P249 HydrophobicContact CB-CB 3.99Å; C81-P249 HydrophobicContact CB-CG 3.7Å; C81-P249 WeakPolarHBondContact O-CD 3.38Å; C81-C261 HydrophobicContact CB-CB 3.56Å; C81-C261 WeakPolarHBondContact CB-SG 3.33Å; C81-C261 WeakPolarHBondContact SG-CB 3.47Å; C81-C261 CovalentContact SG-SG 2.02Å; C81-C261 PolarHBondContact SG-SG 2.98Å
82V98.6Very high98.2Very high6 Ų633.2 Ų33.24%0.03615%0.148CC..EExtended strand (participates in β ladder)trans-134.6138166.8-179.20000107.8V72 I73 Y129 A246V72-V82 CarbonylContact C-O 3.56Å; V72-V82 WeakPolarHBondContact CA-O 3.18Å; I73-V82 PolarHBondContact N-O 3.3Å; I73-V82 PolarHBondContact O-N 3.41Å; V82-Y129 HydrophobicContact CB-CE2 4.32Å; V82-Y129 HydrophobicContact CG1-CE2 3.79Å; V82-Y129 HydrophobicContact CG2-CE1 4.21Å; V82-Y129 HydrophobicContact CG2-CE2 4.48Å; V82-A246 HydrophobicContact CG1-CB 4.32Å
83A98.7Very high98.1Very high0 Ų035.8 Ų35.80%017%0.17CC..EExtended strand (participates in β ladder)trans-100.3141.417200000111.1S71 A246 I247 P249 P263S71-A83 CarbonylContact O-C 3.54Å; S71-A83 VanDerWaalsContact O-CA 3.3Å; S71-A83 WeakPolarHBondContact O-CA 3.28Å; A83-A246 CarbonylContact O-C 3.51Å; A83-A246 WeakPolarHBondContact O-CA 3.45Å; A83-I247 HydrophobicContact CB-CG1 3.97Å; A83-I247 PolarHBondContact N-O 2.79Å; A83-I247 PolarHBondContact O-N 2.88Å; A83-P249 HydrophobicContact CB-CB 4.47Å; A83-P263 HydrophobicContact CB-CB 3.99Å
84I98.6Very high98.1Very high0 Ų035.9 Ų35.90%017%0.171CC..EExtended strand (participates in β ladder)trans-107.4120.4164.6-52.2-61.5000107.9S71 I73 A86 V124 A125 Y129 K245 A246S71-I84 PolarHBondContact N-O 3.35Å; S71-I84 VanDerWaalsContact N-O 3.12Å; S71-I84 PolarHBondContact O-N 2.97Å; S71-I84 WeakPolarHBondContact OG-CB 3.46Å; I73-I84 HydrophobicContact CD1-CD1 4.46Å; I73-I84 HydrophobicContact CD1-CG1 4.06Å; I84-A86 HydrophobicContact CG2-CB 4.38Å; I84-V124 HydrophobicContact CD1-CG1 4.29Å; I84-A125 HydrophobicContact CG1-CB 4.27Å; I84-Y129 HydrophobicContact CD1-CE2 4.25Å; I84-K245 WeakPolarHBondContact CA-O 3.38Å; I84-A246 HydrophobicContact CD1-CB 3.58Å
85D98.2Very high98Very high4 Ų442.5 Ų42.52%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-98.1102.9168.7174.410.4000108.6F70 R87 S244 K245 I247 R435F70-D85 HydrophobicContact CD1-CB 4.27Å; F70-D85 HydrophobicContact CE1-CB 4.02Å; F70-D85 VanDerWaalsContact CE1-OD1 3.25Å; F70-D85 WeakPolarHBondContact CE1-OD1 3.32Å; D85-R87 WeakPolarHBondContact OD1-CB 3.28Å; D85-R87 PolarHBondContact OD1-N 2.96Å; D85-S244 VanDerWaalsContact O-CA 3.28Å; D85-S244 WeakPolarHBondContact O-CA 3.35Å; D85-S244 WeakPolarHBondContact O-CB 3.23Å; D85-K245 PolarHBondContact N-O 3.18Å; D85-K245 PolarHBondContact O-N 3.43Å; D85-I247 HydrophobicContact CB-CD1 3.96Å; D85-R435 IonicContact OD1-NE 3.68Å; D85-R435 WeakPolarHBondContact OD2-CD 3.4Å; D85-R435 IonicContact OD2-CZ 3.9Å; D85-R435 VanDerWaalsContact OD2-CZ 3.3Å; D85-R435 IonicContact OD2-NE 2.77Å; D85-R435 IonicContact OD2-NH1 2.96Å; D85-R435 PolarHBondContact OD2-NH1 2.97Å
86A98.6Very high97.9Very high0 Ų046.3 Ų46.30%021%0.212CC..EExtended strand (participates in β ladder)trans-116.630.9174.600000110.8G68 H69 I84 Y242G68-A86 WeakPolarHBondContact CA-O 3.18Å; H69-A86 PolarHBondContact N-O 3.33Å; H69-A86 VanDerWaalsContact N-O 3.16Å; H69-A86 CarbonylContact O-C 3.52Å; H69-A86 VanDerWaalsContact O-C 3.26Å; H69-A86 WeakPolarHBondContact O-CA 3.31Å; H69-A86 WeakPolarHBondContact O-CB 3.5Å; H69-A86 PolarHBondContact O-N 2.84Å; I84-A86 HydrophobicContact CG2-CB 4.38Å; A86-Y242 VanDerWaalsContact C-OH 3.24Å; A86-Y242 PolarHBondContact O-OH 3.18Å
87R98.2Very high97.7Very high0 Ų045.9 Ų45.90%022%0.217CC..  trans-68.1145.4176.8-172.264.4174.1153-10.2110.7F70 D85 Y242 D410 R435 P436F70-R87 HydrophobicContact CE1-CB 4.06Å; F70-R87 HydrophobicContact CE2-CB 4.21Å; F70-R87 HydrophobicContact CE2-CG 4.26Å; F70-R87 HydrophobicContact CZ-CB 3.64Å; F70-R87 HydrophobicContact CZ-CG 3.92Å; D85-R87 WeakPolarHBondContact OD1-CB 3.28Å; D85-R87 PolarHBondContact OD1-N 2.96Å; R87-Y242 WeakPolarHBondContact O-CE2 3.21Å; R87-Y242 PolarHBondContact O-OH 3.39Å; R87-D410 IonicContact CZ-OD2 3.48Å; R87-D410 IonicContact NH2-OD2 2.75Å; R87-D410 PolarHBondContact NH2-OD2 3.47Å; R87-R435 HydrophobicContact CB-CB 4.38Å; R87-R435 HydrophobicContact CB-CG 4.25Å; R87-R435 HydrophobicContact CG-CB 4.03Å; R87-R435 HydrophobicContact CG-CG 4.34Å; R87-P436 PolarHBondContact NE-O 2.97Å
88E98.5Very high97.6Very high0 Ų039.8 Ų39.80%019%0.191CC..  trans-61.3149.3176.6-53.194.3144.400111.4G67 G68 A114 I115 R435 P436G67-E88 WeakPolarHBondContact CA-OE1 3.47Å; G68-E88 PolarHBondContact N-OE1 2.71Å; E88-A114 HydrophobicContact CB-CB 3.57Å; E88-A114 HydrophobicContact CG-CB 4.5Å; E88-I115 WeakPolarHBondContact CA-O 3.37Å; E88-I115 WeakPolarHBondContact CB-O 3.27Å; E88-R435 WeakPolarHBondContact O-CG 3.39Å; E88-P436 VanDerWaalsContact O-CD 3.31Å; E88-P436 WeakPolarHBondContact O-CD 3.27Å
89M98.3Very high97.5Very high34 Ų3434.7 Ų34.717%0.16717%0.167CC..BIsolated β-bridgetrans-115.5141.6-179.3-74.6170.17000111.1I115 Y242 G433 K434 R435M89-I115 HydrophobicContact CB-CB 4.44Å; M89-I115 HydrophobicContact CB-CD1 4.04Å; M89-I115 PolarHBondContact N-O 2.8Å; M89-I115 WeakPolarHBondContact O-CB 3.4Å; M89-I115 WeakPolarHBondContact O-CG1 3.42Å; M89-I115 PolarHBondContact O-N 3.47Å; M89-Y242 HydrophobicContact CB-CD2 4.09Å; M89-Y242 HydrophobicContact CB-CE2 4.09Å; M89-Y242 HydrophobicContact CG-CD2 4.03Å; M89-Y242 HydrophobicContact CG-CE2 3.74Å; M89-Y242 HydrophobicContact SD-CD2 3.63Å; M89-Y242 HydrophobicContact SD-CE2 3.67Å; M89-G433 WeakPolarHBondContact CE-O 3.39Å; M89-K434 WeakPolarHBondContact CA-O 3.12Å; M89-R435 HydrophobicContact CG-CG 3.62Å
90A98.6Very high97.3Very high0 Ų031.1 Ų31.10%016%0.159CC..  trans-60.8130.417100000110.2M408 F411 M431 G433 K434A90-M408 HydrophobicContact CB-CE 4.08Å; A90-M408 HydrophobicContact CB-SD 3.89Å; A90-F411 HydrophobicContact CB-CE2 3.84Å; A90-F411 HydrophobicContact CB-CZ 3.99Å; A90-M431 VanDerWaalsContact CB-O 3.27Å; A90-M431 WeakPolarHBondContact CB-O 3.43Å; A90-G433 WeakPolarHBondContact O-CA 3.48Å; A90-G433 PolarHBondContact O-N 3.32Å; A90-K434 WeakPolarHBondContact CB-O 3.46Å; A90-K434 PolarHBondContact N-O 3.32Å
91P98.6Very high96.9Very high0 Ų034.3 Ų34.30%018%0.184CC..  trans-55.4155.6175.4-26.835.9000113A93 S94 I115 I233 I234P91-A93 PolarHBondContact O-N 3Å; P91-S94 WeakPolarHBondContact CD-OG 3.32Å; P91-S94 VanDerWaalsContact N-OG 3.15Å; P91-S94 WeakPolarHBondContact O-CB 3.1Å; P91-S94 PolarHBondContact O-N 2.93Å; P91-S94 PolarHBondContact O-OG 3.33Å; P91-I115 HydrophobicContact CG-CG1 4.36Å; P91-I233 HydrophobicContact CB-CD1 4.12Å; P91-I233 HydrophobicContact CB-CG1 4Å; P91-I233 HydrophobicContact CG-CD1 4.32Å; P91-I233 HydrophobicContact CG-CG1 4.02Å; P91-I234 HydrophobicContact CB-CG1 4.15Å; P91-I234 HydrophobicContact CG-CD1 4.38Å; P91-I234 HydrophobicContact CG-CG1 3.46Å; P91-I234 VanDerWaalsContact CG-CG1 3.46Å
92S98.3Very high96.6Very high64 Ų6436.5 Ų36.545%0.44820%0.195SC..THydrogen-bonded Turntrans-58.1-32.2178.954.50000113.3S94 D238 P432S92-S94 PolarHBondContact O-N 2.92Å; S92-D238 WeakPolarHBondContact CA-OD1 3.47Å; S92-D238 WeakPolarHBondContact CB-OD1 3.5Å; S92-D238 PolarHBondContact N-OD1 3.25Å; S92-D238 PolarHBondContact OG-OD1 2.74Å; S92-D238 PolarHBondContact OG-OD2 2.97Å; S92-P432 WeakPolarHBondContact O-CB 3.33Å; S92-P432 WeakPolarHBondContact O-CG 3.45Å
93A98.2Very high96Very high55 Ų5539.6 Ų39.646%0.45522%0.217SC..THydrogen-bonded Turntrans-78.42.2176.900000114.5P91 I233P91-A93 PolarHBondContact O-N 3Å; A93-I233 HydrophobicContact CB-CB 4.15Å; A93-I233 HydrophobicContact CB-CD1 4.24Å
94S97.9Very high95.7Very high4 Ų447.1 Ų47.13%0.02825%0.25CC..  trans-70.2147179.6-49.10000111.6P91 S92 P432P91-S94 WeakPolarHBondContact CD-OG 3.32Å; P91-S94 VanDerWaalsContact N-OG 3.15Å; P91-S94 WeakPolarHBondContact O-CB 3.1Å; P91-S94 PolarHBondContact O-N 2.93Å; P91-S94 PolarHBondContact O-OG 3.33Å; S92-S94 PolarHBondContact O-N 2.92Å; S94-P432 WeakPolarHBondContact O-CD 3.28Å; S94-P432 VanDerWaalsContact O-CG 3.22Å; S94-P432 WeakPolarHBondContact O-CG 3.42Å
95Y96.9Very high95.5Very high138 Ų13848.4 Ų48.454%0.54126%0.259SS..  trans-143.4154.2173.757.4-84.1000111.5D97 M98Y95-D97 PolarHBondContact O-N 2.9Å; Y95-D97 VanDerWaalsContact O-N 3.08Å; Y95-M98 HydrophobicContact CD1-CB 3.95Å; Y95-M98 HydrophobicContact CD2-CB 3.79Å; Y95-M98 HydrophobicContact CE1-CB 3.63Å; Y95-M98 HydrophobicContact CE2-CB 3.48Å; Y95-M98 VanDerWaalsContact CE2-CB 3.48Å; Y95-M98 HydrophobicContact CG-CB 4.01Å; Y95-M98 WeakPolarHBondContact O-CB 3.23Å; Y95-M98 VanDerWaalsContact O-CG 3.27Å; Y95-M98 WeakPolarHBondContact O-CG 3.42Å; Y95-M98 PolarHBondContact O-N 3.06Å; Y95-M98 VanDerWaalsContact O-N 3.13Å
96K95.5Very high95.2Very high97 Ų9748.3 Ų48.342%0.42226%0.259SS..THydrogen-bonded Turntrans-49-41.2-169.4-174.4-178.6172-177.80114.2P414 F429 I430K96-P414 HydrophobicContact CD-CG 4.15Å; K96-P414 VanDerWaalsContact CE-CG 3.43Å; K96-P414 HydrophobicContact CG-CG 3.78Å; K96-P414 WeakPolarHBondContact O-CD 3.44Å; K96-F429 HydrophobicContact CG-CB 4.24Å; K96-I430 WeakPolarHBondContact CA-O 3.39Å
97D94.6Very high94.9Very high82 Ų8250.5 Ų50.544%0.43927%0.27SS..THydrogen-bonded Turntrans-102.912-170.3-55.5-33000113.1Y95 F99 V100 P414Y95-D97 PolarHBondContact O-N 2.9Å; Y95-D97 VanDerWaalsContact O-N 3.08Å; D97-F99 PolarHBondContact O-N 3.25Å; D97-V100 HydrophobicContact CB-CB 4.38Å; D97-V100 HydrophobicContact CB-CG2 3.77Å; D97-V100 WeakPolarHBondContact O-CB 3.42Å; D97-V100 WeakPolarHBondContact O-CG2 3.47Å; D97-V100 PolarHBondContact O-N 2.95Å; D97-P414 VanDerWaalsContact OD1-CG 3.28Å; D97-P414 WeakPolarHBondContact OD1-CG 3.48Å
98M95.1Very high94.7Very high11 Ų1153.4 Ų53.45%0.05428%0.283CS..THydrogen-bonded Turntrans-63-19-170.870.6-176.2-71.300115.6Y95 I233 M408 I430Y95-M98 HydrophobicContact CD1-CB 3.95Å; Y95-M98 HydrophobicContact CD2-CB 3.79Å; Y95-M98 HydrophobicContact CE1-CB 3.63Å; Y95-M98 HydrophobicContact CE2-CB 3.48Å; Y95-M98 VanDerWaalsContact CE2-CB 3.48Å; Y95-M98 HydrophobicContact CG-CB 4.01Å; Y95-M98 WeakPolarHBondContact O-CB 3.23Å; Y95-M98 VanDerWaalsContact O-CG 3.27Å; Y95-M98 WeakPolarHBondContact O-CG 3.42Å; Y95-M98 PolarHBondContact O-N 3.06Å; Y95-M98 VanDerWaalsContact O-N 3.13Å; M98-I233 HydrophobicContact CE-CD1 3.65Å; M98-I233 HydrophobicContact SD-CD1 4.36Å; M98-M408 HydrophobicContact SD-CE 3.9Å; M98-I430 HydrophobicContact CG-CD1 3.88Å; M98-I430 HydrophobicContact SD-CD1 4.25Å; M98-I430 HydrophobicContact SD-CG2 4.32Å
99F94.3Very high94.5Very high1 Ų154.1 Ų54.10%0.00429%0.29CS..THydrogen-bonded Turntrans-111.38.1175.1-57-54.6000113.3D97 N101 D102 S105 K111 M408 T413 I430D97-F99 PolarHBondContact O-N 3.25Å; F99-N101 PolarHBondContact O-N 3.32Å; F99-D102 CarbonylContact O-C 3.58Å; F99-D102 PolarHBondContact O-N 3.08Å; F99-S105 VanDerWaalsContact CE1-C 3.43Å; F99-S105 VanDerWaalsContact CE1-O 3.28Å; F99-S105 WeakPolarHBondContact CE1-O 3.2Å; F99-K111 HydrophobicContact CE1-CB 4.15Å; F99-M408 HydrophobicContact CE2-CB 3.99Å; F99-M408 HydrophobicContact CE2-CE 4.46Å; F99-M408 HydrophobicContact CZ-CB 4.08Å; F99-T413 HydrophobicContact CB-CG2 4.17Å; F99-I430 HydrophobicContact CD2-CD1 3.52Å; F99-I430 HydrophobicContact CE2-CD1 3.69Å
100V92.1Very high94.4Very high53 Ų5352.5 Ų52.532%0.32128%0.282SS..THydrogen-bonded Turntrans-63.7125169.8175.80000107.4D97 D102 T413D97-V100 HydrophobicContact CB-CB 4.38Å; D97-V100 HydrophobicContact CB-CG2 3.77Å; D97-V100 WeakPolarHBondContact O-CB 3.42Å; D97-V100 WeakPolarHBondContact O-CG2 3.47Å; D97-V100 PolarHBondContact O-N 2.95Å; V100-D102 PolarHBondContact O-N 3.13Å; V100-T413 HydrophobicContact CG2-CG2 3.72Å
101N89.3Confident94.3Very high167 Ų16756.1 Ų56.189%0.89330%0.298SS*.THydrogen-bonded Turntrans63.310.4-172.4-51.1-40.6000115.7F99F99-N101 PolarHBondContact O-N 3.32Å
102D90.8Very high94.3Very high51 Ų5156.1 Ų56.127%0.27330%0.298SS..  trans-141.452.6179.4-171.211.8000111.3F99 V100 K104 S105 K111F99-D102 CarbonylContact O-C 3.58Å; F99-D102 PolarHBondContact O-N 3.08Å; V100-D102 PolarHBondContact O-N 3.13Å; D102-K104 PolarHBondContact O-N 3Å; D102-S105 VanDerWaalsContact CG-CB 3.46Å; D102-S105 PolarHBondContact O-N 3.21Å; D102-S105 VanDerWaalsContact OD1-CB 3.31Å; D102-S105 WeakPolarHBondContact OD1-CB 3.24Å; D102-S105 PolarHBondContact OD1-N 3.05Å; D102-S105 PolarHBondContact OD1-OG 3.34Å; D102-S105 VanDerWaalsContact OD2-CB 3.23Å; D102-S105 WeakPolarHBondContact OD2-CB 3.33Å; D102-S105 PolarHBondContact OD2-OG 2.87Å; D102-K111 IonicContact OD2-NZ 2.67Å
103S87.4Confident94.3Very high71 Ų7153.1 Ų53.150%0.49728%0.276SS..G310 helixtrans-66.4-22.9-17758.60000113.7S105 S106S103-S105 VanDerWaalsContact C-N 3.34Å; S103-S106 PolarHBondContact O-N 3.49Å; S103-S106 PolarHBondContact O-OG 3.44Å
104K91.3Very high94.3Very high157 Ų15750.5 Ų50.568%0.68326%0.255SS*.G310 helixtrans-68.4-35.8176.2-73.5-171.5179.2-177.90111.7D102 S106 I107 F108D102-K104 PolarHBondContact O-N 3Å; K104-S106 PolarHBondContact O-N 3.36Å; K104-I107 PolarHBondContact O-N 3.19Å; K104-F108 HydrophobicContact CB-CD2 4.43Å; K104-F108 WeakPolarHBondContact O-CD2 3.5Å; K104-F108 PolarHBondContact O-N 2.88Å
105S94.1Very high94.3Very high27 Ų2750.5 Ų50.519%0.18926%0.255CS..G310 helixtrans-72.9-12.1179-62.10000113.8F99 D102 S103 S112F99-S105 VanDerWaalsContact CE1-C 3.43Å; F99-S105 VanDerWaalsContact CE1-O 3.28Å; F99-S105 WeakPolarHBondContact CE1-O 3.2Å; D102-S105 VanDerWaalsContact CG-CB 3.46Å; D102-S105 PolarHBondContact O-N 3.21Å; D102-S105 VanDerWaalsContact OD1-CB 3.31Å; D102-S105 WeakPolarHBondContact OD1-CB 3.24Å; D102-S105 PolarHBondContact OD1-N 3.05Å; D102-S105 PolarHBondContact OD1-OG 3.34Å; D102-S105 VanDerWaalsContact OD2-CB 3.23Å; D102-S105 WeakPolarHBondContact OD2-CB 3.33Å; D102-S105 PolarHBondContact OD2-OG 2.87Å; S103-S105 VanDerWaalsContact C-N 3.34Å; S105-S112 WeakPolarHBondContact O-CB 3.3Å; S105-S112 PolarHBondContact O-N 3.43Å
106S92.7Very high94.4Very high3 Ų344 Ų442%0.02123%0.229CC..G310 helixtrans-74.4-20.4168.576.70000112.1S103 K104 S112 D409S103-S106 PolarHBondContact O-N 3.49Å; S103-S106 PolarHBondContact O-OG 3.44Å; K104-S106 PolarHBondContact O-N 3.36Å; S106-S112 WeakPolarHBondContact O-CB 3.33Å; S106-D409 WeakPolarHBondContact O-CA 3.32Å; S106-D409 WeakPolarHBondContact O-CB 3.48Å; S106-D409 PolarHBondContact O-N 3.39Å; S106-D409 PolarHBondContact OG-OD1 3.32Å
107I92.3Very high94.6Very high45 Ų4539.3 Ų39.323%0.23121%0.209CC..THydrogen-bonded Turntrans-105.6-46.9-176.4-61168.5000110.9K104 S112 L389 D406 D409K104-I107 PolarHBondContact O-N 3.19Å; I107-S112 PolarHBondContact O-OG 3.29Å; I107-L389 HydrophobicContact CG2-CD1 3.7Å; I107-D406 VanDerWaalsContact O-CB 3.25Å; I107-D406 WeakPolarHBondContact O-CB 3.34Å; I107-D409 WeakPolarHBondContact CG1-OD1 3.47Å
108F93.3Very high94.8Very high62 Ų6235.5 Ų35.527%0.27219%0.188SC..SBendtrans-111.2142.8-170.2-55.9-70.9000112.7K104 Y166 K394K104-F108 HydrophobicContact CB-CD2 4.43Å; K104-F108 WeakPolarHBondContact O-CD2 3.5Å; K104-F108 PolarHBondContact O-N 2.88Å; F108-Y166 HydrophobicContact CD1-CE1 4.19Å; F108-Y166 HydrophobicContact CE1-CD1 4.45Å; F108-Y166 AromaticContact CE1-CE1 3.71Å; F108-Y166 HydrophobicContact CE1-CE1 3.71Å; F108-Y166 HydrophobicContact CE1-CE2 4.34Å; F108-Y166 AromaticContact CE1-CZ 3.66Å; F108-Y166 HydrophobicContact CZ-CE1 4.08Å; F108-Y166 AromaticContact CZ-CZ 3.7Å; F108-Y166 WeakPolarHBondContact CZ-OH 3.37Å; F108-K394 HydrophobicContact CD1-CG 3.73Å; F108-K394 HydrophobicContact CE1-CG 4.03Å
109G94.7Very high95Very high14 Ų1435 Ų3514%0.14419%0.186CC..SBendtrans82.9-174.6171.300000114.3K111 S112 S393G109-K111 VanDerWaalsContact C-N 3.3Å; G109-K111 PolarHBondContact O-N 3.23Å; G109-S112 PolarHBondContact O-N 3.29Å; G109-S112 PolarHBondContact O-OG 2.88Å; G109-S393 PolarHBondContact N-O 3.01Å
110G96.5Very high95.2Very high1 Ų136 Ų361%0.0119%0.19CC..G310 helixtrans-64.7-29.8-169.500000114.7S112 I113 Y230 S232G110-S112 PolarHBondContact O-N 3.27Å; G110-I113 WeakPolarHBondContact O-CB 3.25Å; G110-I113 WeakPolarHBondContact O-CG1 3.48Å; G110-I113 PolarHBondContact O-N 3.02Å; G110-Y230 VanDerWaalsContact CA-O 3.27Å; G110-Y230 WeakPolarHBondContact CA-O 3.19Å; G110-Y230 PolarHBondContact N-O 2.94Å; G110-S232 VanDerWaalsContact O-CA 3.24Å; G110-S232 WeakPolarHBondContact O-CA 3.33Å; G110-S232 VanDerWaalsContact O-CB 3.24Å; G110-S232 WeakPolarHBondContact O-CB 3.36Å; G110-S232 PolarHBondContact O-OG 2.87Å; G110-S232 VanDerWaalsContact O-OG 3.11Å
111K97Very high95.5Very high76 Ų7633.4 Ų33.433%0.3318%0.175SC..G310 helixtrans-66.2-24.1178-71.9-172.2-176.7174.70113.3F99 D102 G109 I113 G231F99-K111 HydrophobicContact CE1-CB 4.15Å; D102-K111 IonicContact OD2-NZ 2.67Å; G109-K111 VanDerWaalsContact C-N 3.3Å; G109-K111 PolarHBondContact O-N 3.23Å; K111-I113 VanDerWaalsContact C-N 3.29Å; K111-G231 VanDerWaalsContact CG-O 3.27Å; K111-G231 WeakPolarHBondContact CG-O 3.48Å
112S97.3Very high95.9Very high0 Ų025.6 Ų25.60%013%0.133CC..G310 helixtrans-79.4-15.3177.567.90000113.1S105 S106 I107 G109 G110 A114 S393 D406 G407 M408S105-S112 WeakPolarHBondContact O-CB 3.3Å; S105-S112 PolarHBondContact O-N 3.43Å; S106-S112 WeakPolarHBondContact O-CB 3.33Å; I107-S112 PolarHBondContact O-OG 3.29Å; G109-S112 PolarHBondContact O-N 3.29Å; G109-S112 PolarHBondContact O-OG 2.88Å; G110-S112 PolarHBondContact O-N 3.27Å; S112-A114 PolarHBondContact O-N 3.19Å; S112-S393 WeakPolarHBondContact OG-CB 3.38Å; S112-D406 CarbonylContact O-C 3.56Å; S112-D406 VanDerWaalsContact O-CA 3.27Å; S112-D406 WeakPolarHBondContact O-CA 3.27Å; S112-G407 PolarHBondContact O-N 3.26Å; S112-M408 VanDerWaalsContact O-CB 3.25Å; S112-M408 WeakPolarHBondContact O-CB 3.11Å; S112-M408 WeakPolarHBondContact O-CG 3.25Å; S112-M408 PolarHBondContact O-N 3.07Å
113I98.5Very high96.3Very high0 Ų024.7 Ų24.70%013%0.126CC..PPolyproline II helixtrans-72.4119.1-178-51.3173.6000109.9G110 K111 M227 I234 M395 W404 N405G110-I113 WeakPolarHBondContact O-CB 3.25Å; G110-I113 WeakPolarHBondContact O-CG1 3.48Å; G110-I113 PolarHBondContact O-N 3.02Å; K111-I113 VanDerWaalsContact C-N 3.29Å; I113-M227 HydrophobicContact CD1-CG 4.22Å; I113-M227 HydrophobicContact CD1-SD 4.4Å; I113-M227 HydrophobicContact CG2-SD 4.13Å; I113-I234 HydrophobicContact CB-CD1 4.19Å; I113-I234 HydrophobicContact CG2-CD1 3.65Å; I113-M395 HydrophobicContact CD1-CB 4.48Å; I113-W404 HydrophobicContact CD1-CB 3.62Å; I113-W404 HydrophobicContact CD1-CG 3.89Å; I113-W404 HydrophobicContact CG1-CB 3.87Å; I113-W404 HydrophobicContact CG2-CB 4.06Å; I113-N405 WeakPolarHBondContact CA-O 3.36Å
114A98.6Very high96.8Very high0 Ų022.2 Ų22.20%011%0.108CC..PPolyproline II helixtrans-92.2159.4164.900000110E88 S112 P116 N405 M408E88-A114 HydrophobicContact CB-CB 3.57Å; E88-A114 HydrophobicContact CG-CB 4.5Å; S112-A114 PolarHBondContact O-N 3.19Å; A114-P116 VanDerWaalsContact O-CD 3.24Å; A114-P116 WeakPolarHBondContact O-CD 3.32Å; A114-P116 VanDerWaalsContact O-N 3.14Å; A114-N405 PolarHBondContact N-OD1 2.82Å; A114-N405 PolarHBondContact O-ND2 2.84Å; A114-M408 HydrophobicContact CB-CG 4.02Å; A114-M408 HydrophobicContact CB-SD 4Å
115I98.8Very high97.2Very high5 Ų515 Ų153%0.0268%0.077CC..BIsolated β-bridgetrans-61.4117.4-176.4-54.4159.3000109.3E88 M89 P91 I234 D238 M239 Y242E88-I115 WeakPolarHBondContact CA-O 3.37Å; E88-I115 WeakPolarHBondContact CB-O 3.27Å; M89-I115 HydrophobicContact CB-CB 4.44Å; M89-I115 HydrophobicContact CB-CD1 4.04Å; M89-I115 PolarHBondContact N-O 2.8Å; M89-I115 WeakPolarHBondContact O-CB 3.4Å; M89-I115 WeakPolarHBondContact O-CG1 3.42Å; M89-I115 PolarHBondContact O-N 3.47Å; P91-I115 HydrophobicContact CG-CG1 4.36Å; I115-I234 HydrophobicContact CG1-CG1 4.36Å; I115-D238 HydrophobicContact CD1-CB 3.73Å; I115-D238 HydrophobicContact CG1-CB 4.07Å; I115-M239 HydrophobicContact CG2-SD 3.91Å; I115-Y242 HydrophobicContact CB-CD2 4Å; I115-Y242 HydrophobicContact CG2-CD2 3.62Å; I115-Y242 HydrophobicContact CG2-CG 3.89Å
116P98.7Very high97.4Very high0 Ų015.1 Ų15.10%07%0.074CC..PPolyproline II helixtrans-62.8137-176.6-23.334.1000112.4G67 A114 Y215 W404G67-P116 CarbonylContact O-C 3.56Å; A114-P116 VanDerWaalsContact O-CD 3.24Å; A114-P116 WeakPolarHBondContact O-CD 3.32Å; A114-P116 VanDerWaalsContact O-N 3.14Å; P116-Y215 VanDerWaalsContact O-CE1 3.23Å; P116-Y215 WeakPolarHBondContact O-CE1 3.35Å; P116-Y215 PolarHBondContact O-OH 3.39Å; P116-W404 HydrophobicContact CG-CE3 3.87Å; P116-W404 HydrophobicContact CG-CZ3 3.75Å
117G98.7Very high97.6Very high0 Ų021.9 Ų21.90%010%0.103CC..  trans-117.1-16.6-174.300000116.4G67 L119 H120 G121 Y242 S244G67-G117 PolarHBondContact O-N 3.18Å; G117-L119 PolarHBondContact O-N 3Å; G117-H120 PolarHBondContact O-N 3.32Å; G117-G121 PolarHBondContact O-N 2.87Å; G117-Y242 WeakPolarHBondContact CA-OH 3.14Å; G117-S244 PolarHBondContact O-OG 2.78Å
118E98.7Very high97.9Very high1 Ų125.5 Ų25.51%0.00512%0.117CC..Hα-helixtrans-60.8-50.4-165.9175.6150.795.400113.1T52 G64 I65 G67 H69 H120 G121 L122 S385T52-E118 HydrophobicContact CG2-CG 4.41Å; G64-E118 WeakPolarHBondContact CA-OE1 3.44Å; G64-E118 VanDerWaalsContact O-OE1 3.06Å; I65-E118 PolarHBondContact N-OE1 3.24Å; G67-E118 PolarHBondContact O-N 2.8Å; H69-E118 IonicContact ND1-OE2 3.7Å; E118-H120 PolarHBondContact O-N 2.95Å; E118-G121 PolarHBondContact O-N 2.74Å; E118-G121 VanDerWaalsContact O-N 3.17Å; E118-L122 HydrophobicContact CG-CD1 3.99Å; E118-L122 HydrophobicContact CG-CG 4.34Å; E118-L122 VanDerWaalsContact O-CG 3.29Å; E118-L122 WeakPolarHBondContact O-CG 3.28Å; E118-L122 PolarHBondContact O-N 2.99Å; E118-S385 WeakPolarHBondContact OE2-CB 3.24Å; E118-S385 PolarHBondContact OE2-OG 3.49Å
119L98.8Very high98.1Very high0 Ų024.8 Ų24.80%011%0.113CC..Hα-helixtrans-60.5-44.4-179.9178.465.4000112G117 G121 L122 W123 W135 L204 F214 Y215G117-L119 PolarHBondContact O-N 3Å; L119-G121 VanDerWaalsContact C-N 3.31Å; L119-G121 PolarHBondContact O-N 2.72Å; L119-L122 PolarHBondContact O-N 2.92Å; L119-W123 WeakPolarHBondContact O-CB 3.49Å; L119-W123 PolarHBondContact O-N 3.2Å; L119-W135 HydrophobicContact CD1-CZ2 4.04Å; L119-L204 HydrophobicContact CD1-CD1 4.36Å; L119-L204 HydrophobicContact CD2-CD1 4.02Å; L119-L204 HydrophobicContact CD2-CD2 3.71Å; L119-F214 HydrophobicContact CD2-CB 3.46Å; L119-F214 VanDerWaalsContact CD2-CB 3.46Å; L119-F214 HydrophobicContact CD2-CD1 4.24Å; L119-F214 HydrophobicContact CD2-CD2 3.73Å; L119-F214 HydrophobicContact CD2-CE2 4.5Å; L119-F214 HydrophobicContact CD2-CG 3.56Å; L119-Y215 HydrophobicContact CB-CE2 4.39Å; L119-Y215 HydrophobicContact CD2-CE2 4.44Å
120H98.7Very high98.3Very high22 Ų2225 Ų2510%0.10212%0.115CC..Hα-helixtrans-61.5-41.3177.2-171.9-56.8000111.2G117 E118 W123 V124 V211 Y215 Y242 S244G117-H120 PolarHBondContact O-N 3.32Å; E118-H120 PolarHBondContact O-N 2.95Å; H120-W123 PolarHBondContact O-N 3.34Å; H120-V124 VanDerWaalsContact O-CG2 3.31Å; H120-V124 WeakPolarHBondContact O-CG2 3.23Å; H120-V124 PolarHBondContact O-N 2.87Å; H120-V211 HydrophobicContact CB-CG2 4.3Å; H120-Y215 HydrophobicContact CB-CE2 3.79Å; H120-Y242 HydrophobicContact CB-CD1 4.04Å; H120-Y242 HydrophobicContact CB-CE1 3.92Å; H120-S244 PolarHBondContact CE1-N 3.18Å; H120-S244 VanDerWaalsContact CE1-N 3.31Å; H120-S244 WeakPolarHBondContact ND1-CB 3.49Å; H120-S244 PolarHBondContact ND1-N 3.01Å; H120-S244 VanDerWaalsContact ND1-N 3.19Å; H120-S244 PolarHBondContact ND1-OG 2.77Å
121G98.7Very high98.3Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-62.3-46.3176.700000113.1G117 E118 L119 W123 V124 A125 S244G117-G121 PolarHBondContact O-N 2.87Å; E118-G121 PolarHBondContact O-N 2.74Å; E118-G121 VanDerWaalsContact O-N 3.17Å; L119-G121 VanDerWaalsContact C-N 3.31Å; L119-G121 PolarHBondContact O-N 2.72Å; G121-W123 VanDerWaalsContact C-N 3.32Å; G121-W123 PolarHBondContact O-N 3.47Å; G121-V124 PolarHBondContact O-N 2.83Å; G121-A125 PolarHBondContact O-N 3.35Å; G121-S244 WeakPolarHBondContact CA-OG 3.28Å; G121-S244 PolarHBondContact N-OG 3.19Å
122L98.8Very high98.4Very high2 Ų229.6 Ų29.61%0.0115%0.145CC..Hα-helixtrans-63-40.1178.5-66.5177.3000111I49 T52 I53 E118 L119 A125 Y126 W135 L383I49-L122 HydrophobicContact CG1-CB 4.34Å; I49-L122 HydrophobicContact CG1-CD2 4.01Å; I49-L122 HydrophobicContact CG2-CB 4.48Å; T52-L122 HydrophobicContact CG2-CD1 4.09Å; T52-L122 HydrophobicContact CG2-CD2 4.24Å; I53-L122 HydrophobicContact CD1-CD1 3.8Å; I53-L122 HydrophobicContact CG1-CD1 4.24Å; E118-L122 HydrophobicContact CG-CD1 3.99Å; E118-L122 HydrophobicContact CG-CG 4.34Å; E118-L122 VanDerWaalsContact O-CG 3.29Å; E118-L122 WeakPolarHBondContact O-CG 3.28Å; E118-L122 PolarHBondContact O-N 2.99Å; L119-L122 PolarHBondContact O-N 2.92Å; L122-A125 PolarHBondContact O-N 3.43Å; L122-Y126 WeakPolarHBondContact O-CB 3.45Å; L122-Y126 PolarHBondContact O-N 3.21Å; L122-W135 HydrophobicContact CB-CH2 4.19Å; L122-L383 HydrophobicContact CD2-CD1 4.17Å
123W98.6Very high98.4Very high32 Ų3230.4 Ų30.412%0.12115%0.15CC..Hα-helixtrans-66.6-42.1175.5-172.2-124.9000112.7L119 H120 G121 A125 Y126 K127 W135 P210 V211L119-W123 WeakPolarHBondContact O-CB 3.49Å; L119-W123 PolarHBondContact O-N 3.2Å; H120-W123 PolarHBondContact O-N 3.34Å; G121-W123 VanDerWaalsContact C-N 3.32Å; G121-W123 PolarHBondContact O-N 3.47Å; W123-A125 VanDerWaalsContact C-N 3.32Å; W123-A125 PolarHBondContact O-N 3.08Å; W123-Y126 AromaticContact CE3-CD1 3.7Å; W123-Y126 HydrophobicContact CE3-CD1 3.7Å; W123-Y126 HydrophobicContact CE3-CE1 4.47Å; W123-Y126 HydrophobicContact CE3-CG 4.28Å; W123-Y126 HydrophobicContact CH2-CD1 4.09Å; W123-Y126 HydrophobicContact CH2-CE1 4.17Å; W123-Y126 AromaticContact CZ3-CD1 3.35Å; W123-Y126 HydrophobicContact CZ3-CD1 3.35Å; W123-Y126 AromaticContact CZ3-CE1 3.69Å; W123-Y126 HydrophobicContact CZ3-CE1 3.69Å; W123-Y126 HydrophobicContact CZ3-CG 4.25Å; W123-Y126 PolarHBondContact O-N 3.34Å; W123-K127 HydrophobicContact CD2-CD 4.41Å; W123-K127 HydrophobicContact CD2-CG 3.99Å; W123-K127 HydrophobicContact CE3-CG 4.49Å; W123-K127 HydrophobicContact CG-CG 4.37Å; W123-K127 HydrophobicContact CH2-CD 4Å; W123-K127 HydrophobicContact CZ2-CD 3.67Å; W123-K127 HydrophobicContact CZ2-CG 4.11Å; W123-K127 HydrophobicContact CZ3-CD 4.49Å; W123-K127 WeakPolarHBondContact O-CB 3.19Å; W123-K127 VanDerWaalsContact O-CG 3.28Å; W123-K127 WeakPolarHBondContact O-CG 3.02Å; W123-K127 PolarHBondContact O-N 3.02Å; W123-W135 AromaticContact CE3-CD2 3.77Å; W123-W135 HydrophobicContact CE3-CD2 3.77Å; W123-W135 AromaticContact CE3-CE3 3.68Å; W123-W135 HydrophobicContact CE3-CE3 3.68Å; W123-W135 HydrophobicContact CE3-CG 4.36Å; W123-W135 HydrophobicContact CE3-CH2 4.15Å; W123-W135 HydrophobicContact CE3-CZ2 4.24Å; W123-W135 AromaticContact CE3-CZ3 3.87Å; W123-W135 HydrophobicContact CE3-CZ3 3.87Å; W123-W135 HydrophobicContact CZ3-CB 3.99Å; W123-W135 AromaticContact CZ3-CD2 3.57Å; W123-W135 HydrophobicContact CZ3-CD2 3.57Å; W123-W135 AromaticContact CZ3-CE3 3.74Å; W123-W135 HydrophobicContact CZ3-CE3 3.74Å; W123-W135 AromaticContact CZ3-CG 3.68Å; W123-W135 HydrophobicContact CZ3-CG 3.68Å; W123-W135 HydrophobicContact CZ3-CZ3 4.4Å; W123-P210 HydrophobicContact CD2-CG 3.7Å; W123-P210 HydrophobicContact CE3-CG 3.64Å; W123-P210 HydrophobicContact CG-CG 4.2Å; W123-P210 HydrophobicContact CH2-CG 4.24Å; W123-P210 HydrophobicContact CZ2-CG 4.28Å; W123-P210 HydrophobicContact CZ3-CG 3.93Å; W123-V211 HydrophobicContact CB-CG2 3.63Å; W123-V211 HydrophobicContact CG-CG2 3.72Å
124V98.5Very high98.4Very high20 Ų2033.9 Ų33.912%0.12117%0.173CC..Hα-helixtrans-59.4-44174.2168.30000111I84 H120 G121 K128 A246I84-V124 HydrophobicContact CD1-CG1 4.29Å; H120-V124 VanDerWaalsContact O-CG2 3.31Å; H120-V124 WeakPolarHBondContact O-CG2 3.23Å; H120-V124 PolarHBondContact O-N 2.87Å; G121-V124 PolarHBondContact O-N 2.83Å; V124-K128 HydrophobicContact CG1-CD 4.26Å; V124-K128 WeakPolarHBondContact O-CB 3.38Å; V124-K128 WeakPolarHBondContact O-CG 3.17Å; V124-K128 PolarHBondContact O-N 2.76Å; V124-A246 HydrophobicContact CG1-CB 4.21Å
125A98.7Very high98.4Very high5 Ų534.6 Ų34.64%0.04118%0.175CC..Hα-helixtrans-63.4-46.6176.700000111.5V45 I73 I84 G121 L122 W123 K127 K128 Y129 G130V45-A125 HydrophobicContact CG1-CB 3.97Å; I73-A125 HydrophobicContact CD1-CB 4.37Å; I84-A125 HydrophobicContact CG1-CB 4.27Å; G121-A125 PolarHBondContact O-N 3.35Å; L122-A125 PolarHBondContact O-N 3.43Å; W123-A125 VanDerWaalsContact C-N 3.32Å; W123-A125 PolarHBondContact O-N 3.08Å; A125-K127 PolarHBondContact O-N 3.09Å; A125-K128 PolarHBondContact O-N 3.3Å; A125-Y129 PolarHBondContact O-N 3.33Å; A125-G130 PolarHBondContact O-N 3.47Å; A125-G130 VanDerWaalsContact O-N 3.09Å
126Y98.6Very high98.4Very high30 Ų3039.7 Ų39.712%0.11819%0.194CC..Hα-helixtrans-55.8-52.5177.1-179.4-103.4000111.8I49 L122 W123 K128 G130 G131 L133 W135 L138I49-Y126 HydrophobicContact CD1-CD2 4.09Å; I49-Y126 HydrophobicContact CD1-CG 4.4Å; L122-Y126 WeakPolarHBondContact O-CB 3.45Å; L122-Y126 PolarHBondContact O-N 3.21Å; W123-Y126 AromaticContact CE3-CD1 3.7Å; W123-Y126 HydrophobicContact CE3-CD1 3.7Å; W123-Y126 HydrophobicContact CE3-CE1 4.47Å; W123-Y126 HydrophobicContact CE3-CG 4.28Å; W123-Y126 HydrophobicContact CH2-CD1 4.09Å; W123-Y126 HydrophobicContact CH2-CE1 4.17Å; W123-Y126 AromaticContact CZ3-CD1 3.35Å; W123-Y126 HydrophobicContact CZ3-CD1 3.35Å; W123-Y126 AromaticContact CZ3-CE1 3.69Å; W123-Y126 HydrophobicContact CZ3-CE1 3.69Å; W123-Y126 HydrophobicContact CZ3-CG 4.25Å; W123-Y126 PolarHBondContact O-N 3.34Å; Y126-K128 VanDerWaalsContact C-N 3.29Å; Y126-K128 PolarHBondContact O-N 3.49Å; Y126-G130 CarbonylContact O-C 3.44Å; Y126-G130 VanDerWaalsContact O-C 3.26Å; Y126-G130 WeakPolarHBondContact O-CA 3.31Å; Y126-G130 PolarHBondContact O-N 3.06Å; Y126-G131 VanDerWaalsContact CE2-CA 3.47Å; Y126-L133 WeakPolarHBondContact CE2-O 3.34Å; Y126-L133 PolarHBondContact OH-O 3.36Å; Y126-W135 AromaticContact CD1-CE3 3.93Å; Y126-W135 HydrophobicContact CD1-CE3 3.93Å; Y126-W135 AromaticContact CD2-CE3 3.74Å; Y126-W135 HydrophobicContact CD2-CE3 3.74Å; Y126-W135 HydrophobicContact CD2-CZ3 4.27Å; Y126-W135 HydrophobicContact CE1-CB 4Å; Y126-W135 HydrophobicContact CE1-CE3 4.38Å; Y126-W135 HydrophobicContact CE2-CB 4.36Å; Y126-W135 HydrophobicContact CE2-CE3 4.2Å; Y126-W135 AromaticContact CG-CE3 3.59Å; Y126-W135 HydrophobicContact CG-CE3 3.59Å; Y126-W135 AromaticContact CG-CZ3 3.97Å; Y126-W135 HydrophobicContact CG-CZ3 3.97Å; Y126-W135 PolarHBondContact OH-N 3.48Å; Y126-L138 HydrophobicContact CD2-CD1 3.76Å; Y126-L138 HydrophobicContact CE2-CD1 3.82Å
127K97.9Very high98.4Very high144 Ų14442.2 Ų42.263%0.62621%0.207SC*.Hα-helixtrans-65.1-29.8-176.1-68.8-66.2-65.8-171.90113.7W123 A125W123-K127 HydrophobicContact CD2-CD 4.41Å; W123-K127 HydrophobicContact CD2-CG 3.99Å; W123-K127 HydrophobicContact CE3-CG 4.49Å; W123-K127 HydrophobicContact CG-CG 4.37Å; W123-K127 HydrophobicContact CH2-CD 4Å; W123-K127 HydrophobicContact CZ2-CD 3.67Å; W123-K127 HydrophobicContact CZ2-CG 4.11Å; W123-K127 HydrophobicContact CZ3-CD 4.49Å; W123-K127 WeakPolarHBondContact O-CB 3.19Å; W123-K127 VanDerWaalsContact O-CG 3.28Å; W123-K127 WeakPolarHBondContact O-CG 3.02Å; W123-K127 PolarHBondContact O-N 3.02Å; A125-K127 PolarHBondContact O-N 3.09Å
128K97.9Very high98.4Very high122 Ų12242.2 Ų42.253%0.5321%0.207SC..Hα-helixtrans-98.2-36.1-175.5-69.1-172.8175.7-171.80114V124 A125 Y126 A246V124-K128 HydrophobicContact CG1-CD 4.26Å; V124-K128 WeakPolarHBondContact O-CB 3.38Å; V124-K128 WeakPolarHBondContact O-CG 3.17Å; V124-K128 PolarHBondContact O-N 2.76Å; A125-K128 PolarHBondContact O-N 3.3Å; Y126-K128 VanDerWaalsContact C-N 3.29Å; Y126-K128 PolarHBondContact O-N 3.49Å; K128-A246 HydrophobicContact CD-CB 3.98Å
129Y98.3Very high98.4Very high47 Ų4742.1 Ų42.118%0.18421%0.207CC..Hα-helixtrans-134.6-15.3-167.5-51.5-63.3000113.9N43 I73 L75 V82 I84 A125 A246N43-Y129 PolarHBondContact ND2-O 2.92Å; I73-Y129 HydrophobicContact CD1-CD2 3.59Å; I73-Y129 HydrophobicContact CD1-CE2 4.37Å; I73-Y129 HydrophobicContact CD1-CG 4.14Å; L75-Y129 HydrophobicContact CD1-CD1 3.97Å; L75-Y129 HydrophobicContact CD1-CE1 4.16Å; V82-Y129 HydrophobicContact CB-CE2 4.32Å; V82-Y129 HydrophobicContact CG1-CE2 3.79Å; V82-Y129 HydrophobicContact CG2-CE1 4.21Å; V82-Y129 HydrophobicContact CG2-CE2 4.48Å; I84-Y129 HydrophobicContact CD1-CE2 4.25Å; A125-Y129 PolarHBondContact O-N 3.33Å; Y129-A246 HydrophobicContact CE2-CB 4.37Å
130G97.9Very high98.4Very high18 Ų1843.4 Ų43.419%0.18621%0.214CC..  trans-95.7-144.4172.600000112.1D46 A125 Y126D46-G130 WeakPolarHBondContact OD1-CA 3.21Å; A125-G130 PolarHBondContact O-N 3.47Å; A125-G130 VanDerWaalsContact O-N 3.09Å; Y126-G130 CarbonylContact O-C 3.44Å; Y126-G130 VanDerWaalsContact O-C 3.26Å; Y126-G130 WeakPolarHBondContact O-CA 3.31Å; Y126-G130 PolarHBondContact O-N 3.06Å
131G97.6Very high98.4Very high39 Ų3944.5 Ų44.540%0.40222%0.223SC..  trans83.817171.800000114.9D46 Y126 L133D46-G131 PolarHBondContact OD1-N 3.22Å; Y126-G131 VanDerWaalsContact CE2-CA 3.47Å; G131-L133 VanDerWaalsContact C-N 3.32Å
132K98Very high98.4Very high134 Ų13444.5 Ų44.558%0.58322%0.223SC*.SBendtrans-75.2-27.5170.3-61.2-64.7-171.1171.40111.8G41 N43 D46G41-K132 WeakPolarHBondContact O-CB 3.32Å; N43-K132 HydrophobicContact CB-CG 3.95Å; D46-K132 WeakPolarHBondContact OD2-CA 3.4Å; D46-K132 WeakPolarHBondContact OD2-CB 3.17Å; D46-K132 PolarHBondContact OD2-N 3.3Å
133L98.5Very high98.4Very high18 Ų1844.4 Ų44.49%0.09422%0.222CC..SBendtrans-110.8155.2166.1-62.8-175.1000111.4V37 K40 Y126 G131 D137 L138V37-L133 HydrophobicContact CB-CD1 4.45Å; V37-L133 HydrophobicContact CG1-CD1 3.89Å; K40-L133 HydrophobicContact CB-CD1 3.85Å; K40-L133 HydrophobicContact CB-CD2 4.24Å; Y126-L133 WeakPolarHBondContact CE2-O 3.34Å; Y126-L133 PolarHBondContact OH-O 3.36Å; G131-L133 VanDerWaalsContact C-N 3.32Å; L133-D137 HydrophobicContact CB-CB 4.5Å; L133-L138 HydrophobicContact CB-CD2 4.2Å; L133-L138 HydrophobicContact CD1-CD2 4.41Å
134P98.3Very high98.4Very high73 Ų7346.8 Ų46.847%0.47424%0.235SC..  trans-56.3140168.4-2232.8000111.5R136 D137P134-R136 PolarHBondContact O-N 3.06Å; P134-R136 VanDerWaalsContact O-N 3.13Å; P134-D137 WeakPolarHBondContact CD-OD2 3.33Å; P134-D137 WeakPolarHBondContact O-CB 3.25Å; P134-D137 PolarHBondContact O-N 3.09Å
135W98.6Very high98.4Very high14 Ų1447.6 Ų47.65%0.05324%0.238CC..Hα-helixtrans-50.3-40.9178.7175.6-108000112.6I49 L119 L122 W123 Y126 D137 L138 L139 L204 P210I49-W135 HydrophobicContact CD1-CZ3 4.25Å; I49-W135 HydrophobicContact CG2-CE3 4.48Å; I49-W135 HydrophobicContact CG2-CH2 4Å; I49-W135 HydrophobicContact CG2-CZ3 3.68Å; L119-W135 HydrophobicContact CD1-CZ2 4.04Å; L122-W135 HydrophobicContact CB-CH2 4.19Å; W123-W135 AromaticContact CE3-CD2 3.77Å; W123-W135 HydrophobicContact CE3-CD2 3.77Å; W123-W135 AromaticContact CE3-CE3 3.68Å; W123-W135 HydrophobicContact CE3-CE3 3.68Å; W123-W135 HydrophobicContact CE3-CG 4.36Å; W123-W135 HydrophobicContact CE3-CH2 4.15Å; W123-W135 HydrophobicContact CE3-CZ2 4.24Å; W123-W135 AromaticContact CE3-CZ3 3.87Å; W123-W135 HydrophobicContact CE3-CZ3 3.87Å; W123-W135 HydrophobicContact CZ3-CB 3.99Å; W123-W135 AromaticContact CZ3-CD2 3.57Å; W123-W135 HydrophobicContact CZ3-CD2 3.57Å; W123-W135 AromaticContact CZ3-CE3 3.74Å; W123-W135 HydrophobicContact CZ3-CE3 3.74Å; W123-W135 AromaticContact CZ3-CG 3.68Å; W123-W135 HydrophobicContact CZ3-CG 3.68Å; W123-W135 HydrophobicContact CZ3-CZ3 4.4Å; Y126-W135 AromaticContact CD1-CE3 3.93Å; Y126-W135 HydrophobicContact CD1-CE3 3.93Å; Y126-W135 AromaticContact CD2-CE3 3.74Å; Y126-W135 HydrophobicContact CD2-CE3 3.74Å; Y126-W135 HydrophobicContact CD2-CZ3 4.27Å; Y126-W135 HydrophobicContact CE1-CB 4Å; Y126-W135 HydrophobicContact CE1-CE3 4.38Å; Y126-W135 HydrophobicContact CE2-CB 4.36Å; Y126-W135 HydrophobicContact CE2-CE3 4.2Å; Y126-W135 AromaticContact CG-CE3 3.59Å; Y126-W135 HydrophobicContact CG-CE3 3.59Å; Y126-W135 AromaticContact CG-CZ3 3.97Å; Y126-W135 HydrophobicContact CG-CZ3 3.97Å; Y126-W135 PolarHBondContact OH-N 3.48Å; W135-D137 PolarHBondContact O-N 2.92Å; W135-L138 HydrophobicContact CE3-CD1 4.24Å; W135-L138 WeakPolarHBondContact O-CB 3.16Å; W135-L138 PolarHBondContact O-N 2.84Å; W135-L139 HydrophobicContact CD2-CD1 4.01Å; W135-L139 HydrophobicContact CE3-CD1 4.42Å; W135-L139 HydrophobicContact CH2-CD1 4.1Å; W135-L139 HydrophobicContact CZ2-CD1 3.63Å; W135-L139 HydrophobicContact CZ2-CD2 4.01Å; W135-L139 HydrophobicContact CZ2-CG 4.48Å; W135-L139 HydrophobicContact CZ3-CD1 4.47Å; W135-L204 PolarHBondContact NE1-O 2.92Å; W135-P210 HydrophobicContact CZ2-CG 4.1Å
136R98.5Very high98.4Very high113 Ų11347.3 Ų47.343%0.42624%0.236SC..Hα-helixtrans-53.2-40.7176.7-175.9175.9174.4-81.30.4112.9P134 L138 L139 M140 A205P134-R136 PolarHBondContact O-N 3.06Å; P134-R136 VanDerWaalsContact O-N 3.13Å; R136-L138 PolarHBondContact O-N 2.75Å; R136-L139 PolarHBondContact O-N 2.7Å; R136-M140 HydrophobicContact CG-CG 3.47Å; R136-M140 VanDerWaalsContact CG-CG 3.47Å; R136-M140 WeakPolarHBondContact O-CB 3.1Å; R136-M140 VanDerWaalsContact O-CG 3.24Å; R136-M140 WeakPolarHBondContact O-CG 3.29Å; R136-M140 PolarHBondContact O-N 2.91Å; R136-A205 HydrophobicContact CB-CB 4.45Å; R136-A205 WeakPolarHBondContact CB-O 3.27Å; R136-A205 HydrophobicContact CG-CB 4.12Å
137D98.5Very high98.4Very high52 Ų5250.2 Ų50.228%0.27825%0.246SC..Hα-helixtrans-70.7-15.4-176.8-68.1-8.8000112.7L133 P134 W135 P141L133-D137 HydrophobicContact CB-CB 4.5Å; P134-D137 WeakPolarHBondContact CD-OD2 3.33Å; P134-D137 WeakPolarHBondContact O-CB 3.25Å; P134-D137 PolarHBondContact O-N 3.09Å; W135-D137 PolarHBondContact O-N 2.92Å; D137-P141 WeakPolarHBondContact O-CD 3.43Å
138L98.8Very high98.4Very high0 Ų047.2 Ų47.20%024%0.24CC..Hα-helixtrans-85.7-29.6177.3-49.1-174.4000112.4V37 D46 I49 A50 Y126 L133 W135 R136V37-L138 HydrophobicContact CG1-CD2 3.98Å; V37-L138 HydrophobicContact CG2-CD2 4.07Å; D46-L138 HydrophobicContact CB-CD1 4.23Å; D46-L138 HydrophobicContact CB-CD2 3.92Å; I49-L138 HydrophobicContact CB-CD1 4.12Å; I49-L138 HydrophobicContact CD1-CD1 4.18Å; I49-L138 HydrophobicContact CG2-CB 4.2Å; I49-L138 HydrophobicContact CG2-CD1 3.93Å; A50-L138 WeakPolarHBondContact CA-O 3.43Å; A50-L138 HydrophobicContact CB-CB 4.16Å; A50-L138 HydrophobicContact CB-CD2 4.5Å; A50-L138 WeakPolarHBondContact CB-O 3.36Å; Y126-L138 HydrophobicContact CD2-CD1 3.76Å; Y126-L138 HydrophobicContact CE2-CD1 3.82Å; L133-L138 HydrophobicContact CB-CD2 4.2Å; L133-L138 HydrophobicContact CD1-CD2 4.41Å; W135-L138 HydrophobicContact CE3-CD1 4.24Å; W135-L138 WeakPolarHBondContact O-CB 3.16Å; W135-L138 PolarHBondContact O-N 2.84Å; R136-L138 PolarHBondContact O-N 2.75Å
139L98.8Very high98.3Very high0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-99.9-38.7-175.8-83.965.5000112.7I53 W135 R136 P141 T142 A143 L204 A205I53-L139 HydrophobicContact CG1-CD1 4.25Å; I53-L139 HydrophobicContact CG1-CG 4.25Å; I53-L139 HydrophobicContact CG2-CG 4.42Å; W135-L139 HydrophobicContact CD2-CD1 4.01Å; W135-L139 HydrophobicContact CE3-CD1 4.42Å; W135-L139 HydrophobicContact CH2-CD1 4.1Å; W135-L139 HydrophobicContact CZ2-CD1 3.63Å; W135-L139 HydrophobicContact CZ2-CD2 4.01Å; W135-L139 HydrophobicContact CZ2-CG 4.48Å; W135-L139 HydrophobicContact CZ3-CD1 4.47Å; R136-L139 PolarHBondContact O-N 2.7Å; L139-P141 VanDerWaalsContact C-CD 3.45Å; L139-T142 PolarHBondContact O-N 3.23Å; L139-T142 VanDerWaalsContact O-N 3.12Å; L139-A143 PolarHBondContact O-N 3.1Å; L139-L204 HydrophobicContact CD2-CB 3.8Å; L139-A205 HydrophobicContact CB-CB 3.78Å; L139-A205 HydrophobicContact CD2-CB 4.25Å
140M98.7Very high98.3Very high27 Ų2740 Ų4013%0.13321%0.214CC..Hα-helixtrans-59.4-36.7-172.7-74.7-57-59.200115.5R136 T142 A143 E144 Q202 A205R136-M140 HydrophobicContact CG-CG 3.47Å; R136-M140 VanDerWaalsContact CG-CG 3.47Å; R136-M140 WeakPolarHBondContact O-CB 3.1Å; R136-M140 VanDerWaalsContact O-CG 3.24Å; R136-M140 WeakPolarHBondContact O-CG 3.29Å; R136-M140 PolarHBondContact O-N 2.91Å; M140-T142 PolarHBondContact O-N 3.23Å; M140-A143 PolarHBondContact O-N 3.39Å; M140-A143 HydrophobicContact SD-CB 4.31Å; M140-E144 PolarHBondContact O-N 2.95Å; M140-Q202 HydrophobicContact CE-CG 4.4Å; M140-Q202 HydrophobicContact SD-CB 4.19Å; M140-Q202 HydrophobicContact SD-CG 4.05Å; M140-A205 HydrophobicContact CG-CB 4.03Å; M140-A205 HydrophobicContact SD-CB 3.89Å
141P98.7Very high98.3Very high45 Ų4543.3 Ų43.329%0.29223%0.227SC..Hα-helixtrans-56.2-41.9175.4-26.435.7000112.4D137 L139 I145D137-P141 WeakPolarHBondContact O-CD 3.43Å; L139-P141 VanDerWaalsContact C-CD 3.45Å; P141-I145 WeakPolarHBondContact O-CG1 3.26Å; P141-I145 PolarHBondContact O-N 2.81Å
142T98.7Very high98.3Very high0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-74.7-38.5178.6-56.40000111.8I53 C54 V57 L139 M140 E144 I145 C146 L201I53-T142 HydrophobicContact CG2-CG2 3.98Å; C54-T142 HydrophobicContact CB-CG2 4.48Å; V57-T142 HydrophobicContact CB-CG2 4.07Å; V57-T142 HydrophobicContact CG2-CG2 3.46Å; V57-T142 VanDerWaalsContact CG2-CG2 3.46Å; L139-T142 PolarHBondContact O-N 3.23Å; L139-T142 VanDerWaalsContact O-N 3.12Å; M140-T142 PolarHBondContact O-N 3.23Å; T142-E144 VanDerWaalsContact C-N 3.3Å; T142-E144 PolarHBondContact O-N 2.83Å; T142-I145 PolarHBondContact O-N 2.75Å; T142-C146 PolarHBondContact O-N 3.06Å; T142-C146 PolarHBondContact O-SG 3.01Å; T142-L201 HydrophobicContact CG2-CD1 3.92Å
143A98.7Very high98.2Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-58.6-43.3175.300000111.5L139 M140 C146 R147 A198 L201L139-A143 PolarHBondContact O-N 3.1Å; M140-A143 PolarHBondContact O-N 3.39Å; M140-A143 HydrophobicContact SD-CB 4.31Å; A143-C146 WeakPolarHBondContact O-CB 3.47Å; A143-C146 PolarHBondContact O-N 2.88Å; A143-R147 PolarHBondContact O-N 3.29Å; A143-A198 VanDerWaalsContact O-CB 3.32Å; A143-A198 WeakPolarHBondContact O-CB 3.43Å; A143-L201 HydrophobicContact CB-CB 3.7Å
144E98.6Very high98Very high82 Ų8239.4 Ų39.438%0.38320%0.202SC..Hα-helixtrans-65.5-42178.1-171.759.5-16600111.7M140 T142 C146 R147 T148M140-E144 PolarHBondContact O-N 2.95Å; T142-E144 VanDerWaalsContact C-N 3.3Å; T142-E144 PolarHBondContact O-N 2.83Å; E144-C146 VanDerWaalsContact C-N 3.29Å; E144-C146 PolarHBondContact O-N 3.46Å; E144-R147 CarbonylContact O-C 3.44Å; E144-R147 WeakPolarHBondContact O-CA 3.25Å; E144-R147 WeakPolarHBondContact O-CB 3.3Å; E144-R147 PolarHBondContact O-N 2.97Å; E144-R147 IonicContact OE2-CZ 3.65Å; E144-R147 IonicContact OE2-NH1 3.32Å; E144-R147 PolarHBondContact OE2-NH1 3.34Å; E144-T148 HydrophobicContact CG-CG2 4.03Å; E144-T148 PolarHBondContact O-N 2.83Å; E144-T148 PolarHBondContact O-OG1 3.43Å; E144-T148 VanDerWaalsContact O-OG1 3.07Å; E144-T148 WeakPolarHBondContact OE1-CG2 3.39Å
145I98.5Very high97.8Very high36 Ų3636.2 Ų36.219%0.18518%0.182CC..Hα-helixtrans-59.1-40.5174.7-69.8168.1000111.6I33 F58 P141 T142 R147 T148 G149 I150I33-I145 HydrophobicContact CD1-CD1 3.82Å; F58-I145 HydrophobicContact CE2-CD1 4.3Å; F58-I145 HydrophobicContact CE2-CG2 3.86Å; F58-I145 HydrophobicContact CZ-CG2 3.74Å; P141-I145 WeakPolarHBondContact O-CG1 3.26Å; P141-I145 PolarHBondContact O-N 2.81Å; T142-I145 PolarHBondContact O-N 2.75Å; I145-R147 PolarHBondContact O-N 2.77Å; I145-T148 PolarHBondContact O-N 2.75Å; I145-G149 CarbonylContact O-C 3.26Å; I145-G149 WeakPolarHBondContact O-CA 3.37Å; I145-G149 PolarHBondContact O-N 3.29Å; I145-I150 HydrophobicContact CG2-CG1 3.95Å
146C98.5Very high97.7Very high0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-60.3-30.9176.1-670000112.6V57 T142 A143 E144 R194 A198V57-C146 VanDerWaalsContact CG1-SG 3.53Å; V57-C146 VanDerWaalsContact CG2-SG 3.55Å; T142-C146 PolarHBondContact O-N 3.06Å; T142-C146 PolarHBondContact O-SG 3.01Å; A143-C146 WeakPolarHBondContact O-CB 3.47Å; A143-C146 PolarHBondContact O-N 2.88Å; E144-C146 VanDerWaalsContact C-N 3.29Å; E144-C146 PolarHBondContact O-N 3.46Å; C146-R194 HydrophobicContact CB-CB 4.28Å; C146-R194 PolarHBondContact O-N 2.96Å; C146-A198 HydrophobicContact CB-CB 3.6Å
147R97.8Very high97.6Very high90 Ų9030.4 Ų30.434%0.3416%0.161SC..Hα-helixtrans-83.6-43.7179-173.4-179.3-67.5124.4-2.9112.6A143 E144 I145 Y193 A198A143-R147 PolarHBondContact O-N 3.29Å; E144-R147 CarbonylContact O-C 3.44Å; E144-R147 WeakPolarHBondContact O-CA 3.25Å; E144-R147 WeakPolarHBondContact O-CB 3.3Å; E144-R147 PolarHBondContact O-N 2.97Å; E144-R147 IonicContact OE2-CZ 3.65Å; E144-R147 IonicContact OE2-NH1 3.32Å; E144-R147 PolarHBondContact OE2-NH1 3.34Å; I145-R147 PolarHBondContact O-N 2.77Å; R147-Y193 WeakPolarHBondContact O-CD1 3.22Å; R147-A198 HydrophobicContact CB-CB 4Å
148T97.8Very high97.5Very high82 Ų8231.4 Ų31.450%0.50317%0.166SC..Hα-helixtrans-87.4-17.4-17459.50000113.6E144 I145 Y193E144-T148 HydrophobicContact CG-CG2 4.03Å; E144-T148 PolarHBondContact O-N 2.83Å; E144-T148 PolarHBondContact O-OG1 3.43Å; E144-T148 VanDerWaalsContact O-OG1 3.07Å; E144-T148 WeakPolarHBondContact OE1-CG2 3.39Å; I145-T148 PolarHBondContact O-N 2.75Å; T148-Y193 WeakPolarHBondContact O-CE1 3.4Å
149G97.5Very high97.3Very high16 Ų1633.7 Ų33.717%0.16518%0.176CC..  trans128.8129.8176.300000112.7I145 V191 M192I145-G149 CarbonylContact O-C 3.26Å; I145-G149 WeakPolarHBondContact O-CA 3.37Å; I145-G149 PolarHBondContact O-N 3.29Å; G149-V191 VanDerWaalsContact CA-CG1 3.49Å; G149-M192 CarbonylContact C-O 3.55Å; G149-M192 WeakPolarHBondContact CA-O 3.5Å
150I98Very high97.3Very high0 Ų033.7 Ų33.70%018%0.176CC..EExtended strand (participates in β ladder)trans-97.2121.6174.2-58.4152.9000107.4V57 F58 I145 V152 V191 M192 R194V57-I150 HydrophobicContact CG1-CD1 3.44Å; V57-I150 VanDerWaalsContact CG1-CD1 3.44Å; V57-I150 HydrophobicContact CG1-CG1 3.75Å; V57-I150 HydrophobicContact CG1-CG2 4.39Å; F58-I150 HydrophobicContact CD1-CG2 3.91Å; F58-I150 HydrophobicContact CE1-CG2 3.82Å; F58-I150 HydrophobicContact CG-CG2 4.4Å; F58-I150 HydrophobicContact CZ-CG2 4.24Å; I145-I150 HydrophobicContact CG2-CG1 3.95Å; I150-V152 PolarHBondContact O-N 2.68Å; I150-V191 WeakPolarHBondContact O-CA 3.45Å; I150-M192 HydrophobicContact CB-CG 3.75Å; I150-M192 HydrophobicContact CD1-CG 4.25Å; I150-M192 HydrophobicContact CG2-CG 4.19Å; I150-M192 PolarHBondContact N-O 2.87Å; I150-M192 PolarHBondContact O-N 3.38Å; I150-R194 HydrophobicContact CD1-CB 4.1Å; I150-R194 HydrophobicContact CD1-CG 3.65Å
151L96.7Very high97.2Very high89 Ų8936.8 Ų36.847%0.46619%0.19SC..EExtended strand (participates in β ladder)trans-74.1114.6171.2-171.768.6000109.2S153 G189 V191L151-S153 PolarHBondContact O-N 3.04Å; L151-G189 VanDerWaalsContact CD1-O 3.29Å; L151-G189 WeakPolarHBondContact CD1-O 3.46Å; L151-V191 HydrophobicContact CD1-CG2 4.38Å
152V97.7Very high97Very high2 Ų240.1 Ų40.11%0.01221%0.205CC..  trans-67.1119.3-177.1175.30000109.3I150 L156 A157 Y186 Q187 A188 G189 E190 M192I150-V152 PolarHBondContact O-N 2.68Å; V152-L156 HydrophobicContact CG1-CB 4.38Å; V152-L156 HydrophobicContact CG1-CD2 4.22Å; V152-L156 HydrophobicContact CG1-CG 4.33Å; V152-A157 HydrophobicContact CG1-CB 4.19Å; V152-Y186 HydrophobicContact CG2-CD1 4.44Å; V152-Y186 HydrophobicContact CG2-CG 4.34Å; V152-Q187 WeakPolarHBondContact CB-O 3.46Å; V152-A188 WeakPolarHBondContact O-CA 3.4Å; V152-G189 PolarHBondContact O-N 3.03Å; V152-E190 WeakPolarHBondContact CB-O 3.34Å; V152-E190 WeakPolarHBondContact CG2-O 3.29Å; V152-E190 PolarHBondContact N-O 3.16Å; V152-M192 HydrophobicContact CG2-CB 3.98Å; V152-M192 HydrophobicContact CG2-CG 3.67Å; V152-M192 HydrophobicContact CG2-SD 3.83Å
153S95.6Very high96.9Very high16 Ų1640.7 Ų40.711%0.11221%0.208CC..  trans-73.5157.1177.470.80000111L151 A155 L156 A157L151-S153 PolarHBondContact O-N 3.04Å; S153-A155 VanDerWaalsContact C-N 3.27Å; S153-A155 PolarHBondContact O-N 2.96Å; S153-L156 PolarHBondContact O-N 3.17Å; S153-L156 WeakPolarHBondContact OG-CB 3.49Å; S153-L156 PolarHBondContact OG-N 3.43Å; S153-L156 VanDerWaalsContact OG-N 3.07Å; S153-A157 PolarHBondContact O-N 3.13Å
154Q95.5Very high96.8Very high91 Ų9144.4 Ų44.443%0.42523%0.225SC..Hα-helixtrans-60.2-40172.7-175.169.256.600111.4L156 A157 D158 A188 P551Q154-L156 VanDerWaalsContact C-N 3.34Å; Q154-L156 PolarHBondContact O-N 2.94Å; Q154-A157 PolarHBondContact O-N 3.23Å; Q154-D158 PolarHBondContact NE2-OD1 2.92Å; Q154-D158 WeakPolarHBondContact O-CB 3.25Å; Q154-D158 PolarHBondContact O-N 3.47Å; Q154-A188 HydrophobicContact CB-CB 4.12Å; Q154-A188 VanDerWaalsContact OE1-CB 3.23Å; Q154-P551 HydrophobicContact CB-CB 3.98Å; Q154-P551 HydrophobicContact CG-CB 4.24Å; Q154-P551 HydrophobicContact CG-CG 4.41Å
155A93.8Very high96.7Very high5 Ų544.5 Ų44.54%0.04124%0.241CC..Hα-helixtrans-58.3-44.1175.600000112.4S153 K159 K550S153-A155 VanDerWaalsContact C-N 3.27Å; S153-A155 PolarHBondContact O-N 2.96Å; A155-K159 WeakPolarHBondContact O-CG 3.17Å; A155-K159 PolarHBondContact O-N 2.84Å; A155-K550 HydrophobicContact CB-CG 3.9Å
156L96.3Very high96.5Very high1 Ų148.1 Ų48.11%0.00525%0.253CS..Hα-helixtrans-65.3-48.5176179.159.3000111.1H61 V152 S153 Q154 D158 K159 L160 M192 F391H61-L156 HydrophobicContact CB-CD1 4.16Å; V152-L156 HydrophobicContact CG1-CB 4.38Å; V152-L156 HydrophobicContact CG1-CD2 4.22Å; V152-L156 HydrophobicContact CG1-CG 4.33Å; S153-L156 PolarHBondContact O-N 3.17Å; S153-L156 WeakPolarHBondContact OG-CB 3.49Å; S153-L156 PolarHBondContact OG-N 3.43Å; S153-L156 VanDerWaalsContact OG-N 3.07Å; Q154-L156 VanDerWaalsContact C-N 3.34Å; Q154-L156 PolarHBondContact O-N 2.94Å; L156-D158 VanDerWaalsContact C-N 3.32Å; L156-D158 PolarHBondContact O-N 3.01Å; L156-K159 PolarHBondContact O-N 3.05Å; L156-K159 VanDerWaalsContact O-N 3.08Å; L156-L160 HydrophobicContact CD1-CD2 4.46Å; L156-L160 HydrophobicContact CD1-CG 4.23Å; L156-L160 HydrophobicContact CG-CD1 4.19Å; L156-L160 HydrophobicContact CG-CG 4.31Å; L156-L160 WeakPolarHBondContact O-CG 3.34Å; L156-L160 PolarHBondContact O-N 3.22Å; L156-M192 HydrophobicContact CD2-SD 4.12Å; L156-F391 HydrophobicContact CD1-CE1 4.32Å; L156-F391 HydrophobicContact CD1-CZ 4.24Å
157A97.3Very high96.4Very high5 Ų548.1 Ų48.14%0.04125%0.253CS..Hα-helixtrans-56.4-44179.300000112.4V152 S153 Q154 K159 L160 Q161 A188V152-A157 HydrophobicContact CG1-CB 4.19Å; S153-A157 PolarHBondContact O-N 3.13Å; Q154-A157 PolarHBondContact O-N 3.23Å; A157-K159 VanDerWaalsContact C-N 3.3Å; A157-K159 PolarHBondContact O-N 3.34Å; A157-L160 WeakPolarHBondContact O-CB 3.33Å; A157-L160 PolarHBondContact O-N 3.03Å; A157-Q161 PolarHBondContact O-N 2.98Å; A157-A188 HydrophobicContact CB-CB 4.03Å
158D95.4Very high96.4Very high72 Ų7247.3 Ų47.339%0.38525%0.252SS..Hα-helixtrans-60.5-40.2177.2-67.3-15.6000111.6Q154 L156 Q161 L162Q154-D158 PolarHBondContact NE2-OD1 2.92Å; Q154-D158 WeakPolarHBondContact O-CB 3.25Å; Q154-D158 PolarHBondContact O-N 3.47Å; L156-D158 VanDerWaalsContact C-N 3.32Å; L156-D158 PolarHBondContact O-N 3.01Å; D158-Q161 PolarHBondContact O-N 3.08Å; D158-L162 WeakPolarHBondContact O-CB 3.37Å; D158-L162 PolarHBondContact O-N 2.98Å
159K95.6Very high96.2Very high48 Ų4845.1 Ų45.121%0.20924%0.242CC..Hα-helixtrans-77.3-29.8178.9-60.4-38.4174.2-171.90112.9H61 A155 L156 A157 L162 N163 Y390 F391H61-K159 HydrophobicContact CB-CB 3.88Å; H61-K159 HydrophobicContact CB-CG 4.32Å; H61-K159 VanDerWaalsContact CD2-CG 3.41Å; H61-K159 WeakPolarHBondContact CD2-CG 3.41Å; A155-K159 WeakPolarHBondContact O-CG 3.17Å; A155-K159 PolarHBondContact O-N 2.84Å; L156-K159 PolarHBondContact O-N 3.05Å; L156-K159 VanDerWaalsContact O-N 3.08Å; A157-K159 VanDerWaalsContact C-N 3.3Å; A157-K159 PolarHBondContact O-N 3.34Å; K159-L162 HydrophobicContact CD-CD2 4.28Å; K159-L162 PolarHBondContact O-N 3.12Å; K159-N163 PolarHBondContact O-N 3.27Å; K159-N163 PolarHBondContact O-ND2 3.28Å; K159-Y390 HydrophobicContact CD-CD1 4.24Å; K159-Y390 HydrophobicContact CD-CD2 4.31Å; K159-Y390 HydrophobicContact CD-CE1 3.86Å; K159-Y390 HydrophobicContact CD-CE2 3.94Å; K159-Y390 HydrophobicContact CD-CG 4.46Å; K159-Y390 VanDerWaalsContact CE-OH 3.24Å; K159-Y390 WeakPolarHBondContact CE-OH 3.34Å; K159-Y390 HydrophobicContact CG-CD1 4.05Å; K159-Y390 HydrophobicContact CG-CE1 3.96Å; K159-Y390 HydrophobicContact CG-CG 4.47Å; K159-Y390 PolarHBondContact NZ-OH 3.37Å; K159-F391 HydrophobicContact CB-CE2 4.27Å
160L97.6Very high95.9Very high0 Ų048.9 Ų48.90%027%0.272CS..Hα-helixtrans-59.7-51.2168.1-67.9177.2000109.9L156 A157 L162 N163 E164 I167 F177 L185 F391L156-L160 HydrophobicContact CD1-CD2 4.46Å; L156-L160 HydrophobicContact CD1-CG 4.23Å; L156-L160 HydrophobicContact CG-CD1 4.19Å; L156-L160 HydrophobicContact CG-CG 4.31Å; L156-L160 WeakPolarHBondContact O-CG 3.34Å; L156-L160 PolarHBondContact O-N 3.22Å; A157-L160 WeakPolarHBondContact O-CB 3.33Å; A157-L160 PolarHBondContact O-N 3.03Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.02Å; L160-N163 CarbonylContact O-C 3.46Å; L160-N163 PolarHBondContact O-N 2.94Å; L160-E164 PolarHBondContact O-N 2.94Å; L160-E164 VanDerWaalsContact O-N 3.07Å; L160-I167 HydrophobicContact CB-CD1 4.29Å; L160-I167 HydrophobicContact CD2-CD1 3.69Å; L160-I167 WeakPolarHBondContact O-CD1 3.42Å; L160-F177 HydrophobicContact CD1-CB 4.18Å; L160-F177 HydrophobicContact CD1-CD1 4.3Å; L160-F177 HydrophobicContact CD2-CB 3.42Å; L160-F177 VanDerWaalsContact CD2-CB 3.42Å; L160-F177 HydrophobicContact CD2-CD1 3.76Å; L160-F177 HydrophobicContact CD2-CD2 3.91Å; L160-F177 HydrophobicContact CD2-CE1 4.47Å; L160-F177 HydrophobicContact CD2-CG 3.43Å; L160-F177 VanDerWaalsContact CD2-CG 3.43Å; L160-F177 HydrophobicContact CG-CB 4.44Å; L160-L185 HydrophobicContact CB-CB 4.46Å; L160-L185 HydrophobicContact CB-CD1 4.21Å; L160-L185 WeakPolarHBondContact O-CD1 3.38Å; L160-F391 HydrophobicContact CD2-CE1 3.98Å; L160-F391 HydrophobicContact CD2-CE2 4.33Å; L160-F391 HydrophobicContact CD2-CZ 3.46Å; L160-F391 VanDerWaalsContact CD2-CZ 3.46Å; L160-F391 HydrophobicContact CG-CZ 4.24Å
161Q97.2Very high95.5Very high92 Ų9255 Ų5543%0.4331%0.305SS..Hα-helixtrans-59.8-41.7179.1-17357.75400112.1A157 D158 N163 E164A157-Q161 PolarHBondContact O-N 2.98Å; D158-Q161 PolarHBondContact O-N 3.08Å; Q161-N163 PolarHBondContact O-N 3.31Å; Q161-E164 PolarHBondContact NE2-OE2 3.19Å; Q161-E164 WeakPolarHBondContact O-CB 3.34Å; Q161-E164 PolarHBondContact O-N 3.35Å
162L94.8Very high95.3Very high116 Ų11651.5 Ų51.561%0.60729%0.287SS*.Hα-helixtrans-62-25.3175.7-176.162.4000113.2D158 K159 L160 Y390D158-L162 WeakPolarHBondContact O-CB 3.37Å; D158-L162 PolarHBondContact O-N 2.98Å; K159-L162 HydrophobicContact CD-CD2 4.28Å; K159-L162 PolarHBondContact O-N 3.12Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.02Å; L162-Y390 HydrophobicContact CD2-CD2 4.03Å; L162-Y390 HydrophobicContact CD2-CE2 3.94Å
163N95.5Very high95.1Very high11 Ų1153 Ų536%0.05929%0.294CS..THydrogen-bonded Turntrans-110.218-178.1-69.4-91.6000112.9K159 L160 Q161 A165 Y166 I167 F391 K394K159-N163 PolarHBondContact O-N 3.27Å; K159-N163 PolarHBondContact O-ND2 3.28Å; L160-N163 CarbonylContact O-C 3.46Å; L160-N163 PolarHBondContact O-N 2.94Å; Q161-N163 PolarHBondContact O-N 3.31Å; N163-A165 VanDerWaalsContact C-N 3.33Å; N163-A165 PolarHBondContact O-N 3.39Å; N163-Y166 PolarHBondContact O-N 3.32Å; N163-I167 HydrophobicContact CB-CD1 4.16Å; N163-I167 WeakPolarHBondContact O-CG1 3.46Å; N163-I167 PolarHBondContact O-N 2.97Å; N163-I167 VanDerWaalsContact O-N 3.08Å; N163-F391 HydrophobicContact CB-CD2 4.13Å; N163-F391 HydrophobicContact CB-CE2 4.09Å; N163-K394 PolarHBondContact OD1-NZ 2.84Å
164E97.2Very high95.1Very high78 Ų7852.3 Ų52.336%0.36429%0.289SS..Hα-helixtrans-51.7-48.4-173-178.1174.1-15500113L160 Q161 Y166 I167 F168 L185L160-E164 PolarHBondContact O-N 2.94Å; L160-E164 VanDerWaalsContact O-N 3.07Å; Q161-E164 PolarHBondContact NE2-OE2 3.19Å; Q161-E164 WeakPolarHBondContact O-CB 3.34Å; Q161-E164 PolarHBondContact O-N 3.35Å; E164-Y166 VanDerWaalsContact C-N 3.27Å; E164-Y166 PolarHBondContact O-N 3.16Å; E164-I167 PolarHBondContact O-N 3.33Å; E164-F168 HydrophobicContact CG-CD2 3.45Å; E164-F168 VanDerWaalsContact CG-CD2 3.45Å; E164-F168 HydrophobicContact CG-CE2 3.61Å; E164-F168 WeakPolarHBondContact O-CD2 3.47Å; E164-F168 PolarHBondContact O-N 2.73Å; E164-F168 WeakPolarHBondContact OE1-CE2 3.47Å; E164-L185 HydrophobicContact CB-CD1 3.79Å; E164-L185 HydrophobicContact CG-CD1 3.82Å
165A95.8Very high95.1Very high85 Ų8553.3 Ų53.370%0.70229%0.289SS*.Hα-helixtrans-57.7-38.5-179.400000112.9N163 A169N163-A165 VanDerWaalsContact C-N 3.33Å; N163-A165 PolarHBondContact O-N 3.39Å; A165-A169 PolarHBondContact O-N 3.07Å
166Y94Very high95.2Very high111 Ų11155 Ų5544%0.43530%0.297SS..Hα-helixtrans-74.9-32.9177.3-68.8-75.6000112.4F108 N163 E164 S172 K394F108-Y166 HydrophobicContact CD1-CE1 4.19Å; F108-Y166 HydrophobicContact CE1-CD1 4.45Å; F108-Y166 AromaticContact CE1-CE1 3.71Å; F108-Y166 HydrophobicContact CE1-CE1 3.71Å; F108-Y166 HydrophobicContact CE1-CE2 4.34Å; F108-Y166 AromaticContact CE1-CZ 3.66Å; F108-Y166 HydrophobicContact CZ-CE1 4.08Å; F108-Y166 AromaticContact CZ-CZ 3.7Å; F108-Y166 WeakPolarHBondContact CZ-OH 3.37Å; N163-Y166 PolarHBondContact O-N 3.32Å; E164-Y166 VanDerWaalsContact C-N 3.27Å; E164-Y166 PolarHBondContact O-N 3.16Å; Y166-S172 WeakPolarHBondContact O-CB 3.31Å; Y166-S172 PolarHBondContact O-OG 2.78Å; Y166-K394 HydrophobicContact CD1-CG 4.49Å
167I97.2Very high95.3Very high0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-73.9-39.2-179.1-64.6164.2000110.7L160 N163 E164 S172 L174 R175 F177 I178 L185L160-I167 HydrophobicContact CB-CD1 4.29Å; L160-I167 HydrophobicContact CD2-CD1 3.69Å; L160-I167 WeakPolarHBondContact O-CD1 3.42Å; N163-I167 HydrophobicContact CB-CD1 4.16Å; N163-I167 WeakPolarHBondContact O-CG1 3.46Å; N163-I167 PolarHBondContact O-N 2.97Å; N163-I167 VanDerWaalsContact O-N 3.08Å; E164-I167 PolarHBondContact O-N 3.33Å; I167-S172 WeakPolarHBondContact O-CB 3.17Å; I167-S172 PolarHBondContact O-OG 3.29Å; I167-L174 HydrophobicContact CG1-CB 4.09Å; I167-L174 HydrophobicContact CG1-CD1 4.42Å; I167-R175 VanDerWaalsContact O-CG 3.29Å; I167-R175 WeakPolarHBondContact O-CG 3.29Å; I167-F177 HydrophobicContact CG2-CB 4.44Å; I167-I178 HydrophobicContact CG2-CD1 4.32Å; I167-I178 HydrophobicContact CG2-CG1 3.88Å; I167-L185 HydrophobicContact CB-CD2 3.93Å; I167-L185 HydrophobicContact CD1-CD2 3.8Å; I167-L185 HydrophobicContact CG1-CD2 4.47Å; I167-L185 HydrophobicContact CG2-CD2 3.43Å; I167-L185 VanDerWaalsContact CG2-CD2 3.43Å
168F97Very high95.3Very high73 Ų7355.8 Ų55.832%0.3230%0.3SS..Hα-helixtrans-79.8-13.1-179.1-83.6-75.8000115.1E164 A170 R175 I178 L185E164-F168 HydrophobicContact CG-CD2 3.45Å; E164-F168 VanDerWaalsContact CG-CD2 3.45Å; E164-F168 HydrophobicContact CG-CE2 3.61Å; E164-F168 WeakPolarHBondContact O-CD2 3.47Å; E164-F168 PolarHBondContact O-N 2.73Å; E164-F168 WeakPolarHBondContact OE1-CE2 3.47Å; F168-A170 PolarHBondContact O-N 2.83Å; F168-R175 PolarHBondContact O-NH1 3.31Å; F168-I178 HydrophobicContact CD1-CD1 3.65Å; F168-I178 HydrophobicContact CD1-CG1 4.41Å; F168-I178 HydrophobicContact CE1-CD1 3.69Å; F168-I178 HydrophobicContact CE1-CG1 4.07Å; F168-I178 HydrophobicContact CE1-CG2 4.26Å; F168-I178 HydrophobicContact CG-CD1 4.31Å; F168-I178 HydrophobicContact CZ-CD1 4.39Å; F168-I178 HydrophobicContact CZ-CG1 4.31Å; F168-L185 HydrophobicContact CE2-CD1 4.4Å; F168-L185 HydrophobicContact CE2-CD2 4.06Å; F168-L185 HydrophobicContact CE2-CG 3.79Å; F168-L185 HydrophobicContact CZ-CG 4.39Å
169A95.5Very high95.4Very high36 Ų3652.8 Ų52.830%0.29828%0.284SS..SBendtrans-50.914117400000111.1A165 D171 S172 R175A165-A169 PolarHBondContact O-N 3.07Å; A169-D171 VanDerWaalsContact C-N 3.28Å; A169-D171 PolarHBondContact O-N 2.89Å; A169-S172 WeakPolarHBondContact O-CB 3.17Å; A169-S172 PolarHBondContact O-N 3.29Å; A169-S172 VanDerWaalsContact O-N 3.08Å; A169-R175 PolarHBondContact O-NH1 3.06Å
170A91.2Very high95.4Very high96 Ų9655.8 Ų55.879%0.79331%0.308SS*.THydrogen-bonded Turntrans-64.6-34.4-16900000112.7F168F168-A170 PolarHBondContact O-N 2.83Å
171D88.7Confident95.4Very high129 Ų12964.9 Ų64.969%0.6935%0.348SS*.THydrogen-bonded Turntrans-91.32.5177.661.8-20.9000113.3A169 Q173A169-D171 VanDerWaalsContact C-N 3.28Å; A169-D171 PolarHBondContact O-N 2.89Å; D171-Q173 PolarHBondContact O-N 3.24Å; D171-Q173 PolarHBondContact O-NE2 3.43Å
172S93.5Very high95.3Very high14 Ų1463.8 Ų63.810%0.09835%0.347CS..  trans-65.7128.5-177.4-174.60000111.7Y166 I167 A169 L174 R175Y166-S172 WeakPolarHBondContact O-CB 3.31Å; Y166-S172 PolarHBondContact O-OG 2.78Å; I167-S172 WeakPolarHBondContact O-CB 3.17Å; I167-S172 PolarHBondContact O-OG 3.29Å; A169-S172 WeakPolarHBondContact O-CB 3.17Å; A169-S172 PolarHBondContact O-N 3.29Å; A169-S172 VanDerWaalsContact O-N 3.08Å; S172-L174 PolarHBondContact O-N 3.05Å; S172-L174 PolarHBondContact OG-N 2.93Å; S172-R175 WeakPolarHBondContact O-CD 3.4Å; S172-R175 VanDerWaalsContact O-CG 3.25Å; S172-R175 WeakPolarHBondContact O-CG 3.35Å
173Q92.3Very high95.4Very high35 Ų3560.4 Ų60.416%0.16434%0.341CS..G310 helixtrans-78.8-8.6173.6-53.6-53.9-52.400111.9D171 R175 Y230 R396D171-Q173 PolarHBondContact O-N 3.24Å; D171-Q173 PolarHBondContact O-NE2 3.43Å; Q173-R175 VanDerWaalsContact C-N 3.35Å; Q173-Y230 HydrophobicContact CG-CE1 4Å; Q173-Y230 PolarHBondContact OE1-OH 3.12Å; Q173-R396 HydrophobicContact CB-CB 3.88Å; Q173-R396 WeakPolarHBondContact O-CD 3.23Å; Q173-R396 PolarHBondContact O-NE 2.73Å
174L96.4Very high95.5Very high0 Ų068.5 Ų68.50%037%0.371CS..G310 helixtrans-89.94.1-179.2-59.1178.9000113.4I167 S172 I176 F177 F391 K394 R396 I403I167-L174 HydrophobicContact CG1-CB 4.09Å; I167-L174 HydrophobicContact CG1-CD1 4.42Å; S172-L174 PolarHBondContact O-N 3.05Å; S172-L174 PolarHBondContact OG-N 2.93Å; L174-I176 PolarHBondContact O-N 2.93Å; L174-F177 HydrophobicContact CB-CD2 4.17Å; L174-F177 HydrophobicContact CD2-CE2 4.13Å; L174-F177 VanDerWaalsContact O-CD2 3.26Å; L174-F177 WeakPolarHBondContact O-CD2 3.41Å; L174-F177 PolarHBondContact O-N 2.79Å; L174-F391 HydrophobicContact CD1-CB 3.87Å; L174-F391 HydrophobicContact CD1-CG 4.17Å; L174-K394 HydrophobicContact CD1-CB 4.14Å; L174-K394 HydrophobicContact CD1-CD 4.17Å; L174-R396 HydrophobicContact CD2-CB 4.2Å; L174-I403 HydrophobicContact CD2-CG1 4.41Å
175R95.5Very high95.6Very high112 Ų11265 Ų6542%0.42335%0.354SS..G310 helixtrans-59.6-14.3179.3-67173.271.277.95.7114.2I167 F168 A169 S172 Q173 F177 I178I167-R175 VanDerWaalsContact O-CG 3.29Å; I167-R175 WeakPolarHBondContact O-CG 3.29Å; F168-R175 PolarHBondContact O-NH1 3.31Å; A169-R175 PolarHBondContact O-NH1 3.06Å; S172-R175 WeakPolarHBondContact O-CD 3.4Å; S172-R175 VanDerWaalsContact O-CG 3.25Å; S172-R175 WeakPolarHBondContact O-CG 3.35Å; Q173-R175 VanDerWaalsContact C-N 3.35Å; R175-F177 PolarHBondContact O-N 3.4Å; R175-F177 VanDerWaalsContact O-N 3.15Å; R175-I178 HydrophobicContact CB-CD1 4.13Å; R175-I178 HydrophobicContact CG-CD1 4.1Å; R175-I178 WeakPolarHBondContact O-CB 3.36Å; R175-I178 PolarHBondContact O-N 2.91Å
176I95.5Very high95.7Very high41 Ų4161.7 Ų61.721%0.2132%0.324CS..G310 helixtrans-56.4-23.2169.3-167.8167.7000112.6L174 I178 R194L174-I176 PolarHBondContact O-N 2.93Å; I176-I178 VanDerWaalsContact C-N 3.29Å; I176-R194 HydrophobicContact CD1-CG 4.45Å
177F97.5Very high95.9Very high0 Ų060.8 Ų60.80%032%0.324CS..G310 helixtrans-85.43.3175.6-60.7-68.3000114.4A60 L160 I167 L174 R175 L185 Y186 M192 F391 I403A60-F177 HydrophobicContact CB-CZ 4.22Å; L160-F177 HydrophobicContact CD1-CB 4.18Å; L160-F177 HydrophobicContact CD1-CD1 4.3Å; L160-F177 HydrophobicContact CD2-CB 3.42Å; L160-F177 VanDerWaalsContact CD2-CB 3.42Å; L160-F177 HydrophobicContact CD2-CD1 3.76Å; L160-F177 HydrophobicContact CD2-CD2 3.91Å; L160-F177 HydrophobicContact CD2-CE1 4.47Å; L160-F177 HydrophobicContact CD2-CG 3.43Å; L160-F177 VanDerWaalsContact CD2-CG 3.43Å; L160-F177 HydrophobicContact CG-CB 4.44Å; I167-F177 HydrophobicContact CG2-CB 4.44Å; L174-F177 HydrophobicContact CB-CD2 4.17Å; L174-F177 HydrophobicContact CD2-CE2 4.13Å; L174-F177 VanDerWaalsContact O-CD2 3.26Å; L174-F177 WeakPolarHBondContact O-CD2 3.41Å; L174-F177 PolarHBondContact O-N 2.79Å; R175-F177 PolarHBondContact O-N 3.4Å; R175-F177 VanDerWaalsContact O-N 3.15Å; F177-L185 WeakPolarHBondContact O-CA 3.37Å; F177-Y186 WeakPolarHBondContact O-CD2 3.44Å; F177-Y186 PolarHBondContact O-N 3.34Å; F177-M192 HydrophobicContact CD1-CE 3.92Å; F177-M192 HydrophobicContact CD1-SD 4.34Å; F177-M192 HydrophobicContact CE1-CE 3.76Å; F177-M192 HydrophobicContact CE1-SD 4.3Å; F177-F391 HydrophobicContact CD2-CE1 4.24Å; F177-F391 AromaticContact CE2-CD1 3.98Å; F177-F391 HydrophobicContact CE2-CD1 3.98Å; F177-F391 AromaticContact CE2-CE1 3.74Å; F177-F391 HydrophobicContact CE2-CE1 3.74Å; F177-F391 HydrophobicContact CZ-CD1 4.39Å; F177-F391 AromaticContact CZ-CE1 3.93Å; F177-F391 HydrophobicContact CZ-CE1 3.93Å; F177-I403 HydrophobicContact CE2-CD1 4.17Å; F177-I403 HydrophobicContact CZ-CD1 4Å
178I98.1Very high95.9Very high22 Ų2262.6 Ų62.611%0.11334%0.338CS..BIsolated β-bridgetrans-88.6120168.4-57.7170.8000107.3I167 F168 R175 I176 P180 R184 L185I167-I178 HydrophobicContact CG2-CD1 4.32Å; I167-I178 HydrophobicContact CG2-CG1 3.88Å; F168-I178 HydrophobicContact CD1-CD1 3.65Å; F168-I178 HydrophobicContact CD1-CG1 4.41Å; F168-I178 HydrophobicContact CE1-CD1 3.69Å; F168-I178 HydrophobicContact CE1-CG1 4.07Å; F168-I178 HydrophobicContact CE1-CG2 4.26Å; F168-I178 HydrophobicContact CG-CD1 4.31Å; F168-I178 HydrophobicContact CZ-CD1 4.39Å; F168-I178 HydrophobicContact CZ-CG1 4.31Å; R175-I178 HydrophobicContact CB-CD1 4.13Å; R175-I178 HydrophobicContact CG-CD1 4.1Å; R175-I178 WeakPolarHBondContact O-CB 3.36Å; R175-I178 PolarHBondContact O-N 2.91Å; I176-I178 VanDerWaalsContact C-N 3.29Å; I178-P180 VanDerWaalsContact O-CD 3.32Å; I178-P180 WeakPolarHBondContact O-CD 3.45Å; I178-R184 CarbonylContact C-O 3.46Å; I178-L185 HydrophobicContact CG1-CD2 4.29Å
179N97.5Very high95.9Very high10 Ų1061.5 Ų61.55%0.05335%0.348CS..  trans-64115175.8-180-21.5000109.2K181 T182 G183 R184 Y186 E190N179-K181 PolarHBondContact O-N 3.36Å; N179-K181 VanDerWaalsContact O-N 3.13Å; N179-K181 WeakPolarHBondContact OD1-CB 3.38Å; N179-K181 PolarHBondContact OD1-N 2.7Å; N179-T182 WeakPolarHBondContact CB-OG1 3.28Å; N179-T182 PolarHBondContact O-N 2.99Å; N179-G183 PolarHBondContact O-N 2.97Å; N179-R184 WeakPolarHBondContact CB-O 3.38Å; N179-R184 PolarHBondContact N-O 3.24Å; N179-Y186 HydrophobicContact CB-CD1 3.77Å; N179-Y186 HydrophobicContact CB-CD2 4.28Å; N179-Y186 HydrophobicContact CB-CE1 3.75Å; N179-Y186 HydrophobicContact CB-CE2 4.25Å; N179-Y186 HydrophobicContact CB-CG 4.05Å; N179-E190 PolarHBondContact ND2-OE1 2.84Å; N179-E190 PolarHBondContact ND2-OE2 3.16Å
180P95.8Very high96Very high110 Ų11062.4 Ų62.471%0.71435%0.346SS*.THydrogen-bonded Turntrans-67-18.7-173.927.6-35.2000112.8I178 Y186I178-P180 VanDerWaalsContact O-CD 3.32Å; I178-P180 WeakPolarHBondContact O-CD 3.45Å; P180-Y186 WeakPolarHBondContact CD-OH 3.41Å
181K96.2Very high96.3Very high192 Ų19261 Ų6184%0.83533%0.327SS*.THydrogen-bonded Turntrans-79.4-31.7178-59.8-178.2-180178.20112.5N179N179-K181 PolarHBondContact O-N 3.36Å; N179-K181 VanDerWaalsContact O-N 3.13Å; N179-K181 WeakPolarHBondContact OD1-CB 3.38Å; N179-K181 PolarHBondContact OD1-N 2.7Å
182T96.7Very high96.7Very high68 Ų6854.9 Ų54.942%0.41730%0.295SS..THydrogen-bonded Turntrans-110.8-18.5-17367.10000113N179 R184N179-T182 WeakPolarHBondContact CB-OG1 3.28Å; N179-T182 PolarHBondContact O-N 2.99Å; T182-R184 PolarHBondContact O-N 3.37Å; T182-R184 PolarHBondContact OG1-N 3.29Å
183G97Very high96.9Very high46 Ų4659.9 Ų59.947%0.47431%0.312SS..SBendtrans68.810-171.700000113.8N179N179-G183 PolarHBondContact O-N 2.97Å
184R97.7Very high97.2Very high181 Ų18158.4 Ų58.468%0.68331%0.305SS*.SBendtrans-111.1164.9179.6-56.6-176.6-160.5-179.94110.3I178 N179 T182I178-R184 CarbonylContact C-O 3.46Å; N179-R184 WeakPolarHBondContact CB-O 3.38Å; N179-R184 PolarHBondContact N-O 3.24Å; T182-R184 PolarHBondContact O-N 3.37Å; T182-R184 PolarHBondContact OG1-N 3.29Å
185L98.4Very high97.2Very high3 Ų361.8 Ų61.82%0.01633%0.327CS..BIsolated β-bridgetrans-58142.1170.3-63.9173.8000110.9L160 E164 I167 F168 F177 I178 Q187L160-L185 HydrophobicContact CB-CB 4.46Å; L160-L185 HydrophobicContact CB-CD1 4.21Å; L160-L185 WeakPolarHBondContact O-CD1 3.38Å; E164-L185 HydrophobicContact CB-CD1 3.79Å; E164-L185 HydrophobicContact CG-CD1 3.82Å; I167-L185 HydrophobicContact CB-CD2 3.93Å; I167-L185 HydrophobicContact CD1-CD2 3.8Å; I167-L185 HydrophobicContact CG1-CD2 4.47Å; I167-L185 HydrophobicContact CG2-CD2 3.43Å; I167-L185 VanDerWaalsContact CG2-CD2 3.43Å; F168-L185 HydrophobicContact CE2-CD1 4.4Å; F168-L185 HydrophobicContact CE2-CD2 4.06Å; F168-L185 HydrophobicContact CE2-CG 3.79Å; F168-L185 HydrophobicContact CZ-CG 4.39Å; F177-L185 WeakPolarHBondContact O-CA 3.37Å; I178-L185 HydrophobicContact CG1-CD2 4.29Å; L185-Q187 PolarHBondContact O-N 2.99Å; L185-Q187 PolarHBondContact O-NE2 3.43Å
186Y98.5Very high97.3Very high17 Ų1760.4 Ų60.47%0.06733%0.325CS..PPolyproline II helixtrans-53.8132173-83.2-74.3000111.4V152 F177 N179 P180 E190 V191 M192V152-Y186 HydrophobicContact CG2-CD1 4.44Å; V152-Y186 HydrophobicContact CG2-CG 4.34Å; F177-Y186 WeakPolarHBondContact O-CD2 3.44Å; F177-Y186 PolarHBondContact O-N 3.34Å; N179-Y186 HydrophobicContact CB-CD1 3.77Å; N179-Y186 HydrophobicContact CB-CD2 4.28Å; N179-Y186 HydrophobicContact CB-CE1 3.75Å; N179-Y186 HydrophobicContact CB-CE2 4.25Å; N179-Y186 HydrophobicContact CB-CG 4.05Å; P180-Y186 WeakPolarHBondContact CD-OH 3.41Å; Y186-E190 VanDerWaalsContact CA-OE2 3.3Å; Y186-E190 WeakPolarHBondContact CA-OE2 3.45Å; Y186-E190 HydrophobicContact CD1-CB 3.94Å; Y186-E190 WeakPolarHBondContact CD1-OE2 3.24Å; Y186-V191 WeakPolarHBondContact CE1-O 3.35Å; Y186-M192 HydrophobicContact CD1-CB 4.06Å; Y186-M192 HydrophobicContact CD2-CB 3.96Å; Y186-M192 HydrophobicContact CE1-CB 3.8Å; Y186-M192 HydrophobicContact CE2-CB 3.7Å; Y186-M192 HydrophobicContact CG-CB 4.13Å
187Q98Very high97.5Very high92 Ų9258.9 Ų58.943%0.4332%0.318SS..PPolyproline II helixtrans-98.2160.4178.5-59.5-60.8-60.200111.4V152 L185 G189 E190V152-Q187 WeakPolarHBondContact CB-O 3.46Å; L185-Q187 PolarHBondContact O-N 2.99Å; L185-Q187 PolarHBondContact O-NE2 3.43Å; Q187-G189 PolarHBondContact O-N 3.34Å; Q187-E190 HydrophobicContact CB-CG 4.16Å; Q187-E190 PolarHBondContact N-OE2 3.28Å; Q187-E190 WeakPolarHBondContact O-CB 3.21Å; Q187-E190 PolarHBondContact O-N 2.82Å
188A97.1Very high97.5Very high37 Ų3758.9 Ų58.931%0.30632%0.318SS..THydrogen-bonded Turntrans-56.6133.7175.400000110.9V152 Q154 A157 E190V152-A188 WeakPolarHBondContact O-CA 3.4Å; Q154-A188 HydrophobicContact CB-CB 4.12Å; Q154-A188 VanDerWaalsContact OE1-CB 3.23Å; A157-A188 HydrophobicContact CB-CB 4.03Å; A188-E190 VanDerWaalsContact C-N 3.29Å; A188-E190 PolarHBondContact O-N 3.07Å
189G96.6Very high97.5Very high51 Ų5162 Ų6253%0.52633%0.332SS..THydrogen-bonded Turntrans84.3-8.2-176.700000115L151 V152 Q187L151-G189 VanDerWaalsContact CD1-O 3.29Å; L151-G189 WeakPolarHBondContact CD1-O 3.46Å; V152-G189 PolarHBondContact O-N 3.03Å; Q187-G189 PolarHBondContact O-N 3.34Å
190E97.8Very high97.6Very high54 Ų5461.6 Ų61.625%0.25233%0.33SS..  trans-75.7158168.8-63.3-167.6131.700111.4V152 N179 Y186 Q187 A188V152-E190 WeakPolarHBondContact CB-O 3.34Å; V152-E190 WeakPolarHBondContact CG2-O 3.29Å; V152-E190 PolarHBondContact N-O 3.16Å; N179-E190 PolarHBondContact ND2-OE1 2.84Å; N179-E190 PolarHBondContact ND2-OE2 3.16Å; Y186-E190 VanDerWaalsContact CA-OE2 3.3Å; Y186-E190 WeakPolarHBondContact CA-OE2 3.45Å; Y186-E190 HydrophobicContact CD1-CB 3.94Å; Y186-E190 WeakPolarHBondContact CD1-OE2 3.24Å; Q187-E190 HydrophobicContact CB-CG 4.16Å; Q187-E190 PolarHBondContact N-OE2 3.28Å; Q187-E190 WeakPolarHBondContact O-CB 3.21Å; Q187-E190 PolarHBondContact O-N 2.82Å; A188-E190 VanDerWaalsContact C-N 3.29Å; A188-E190 PolarHBondContact O-N 3.07Å
191V97.8Very high97.7Very high66 Ų6656.6 Ų56.640%0.430%0.297SS..EExtended strand (participates in β ladder)trans-103.4119.4177.6-178.20000109.6G149 I150 L151 Y186 Y193G149-V191 VanDerWaalsContact CA-CG1 3.49Å; I150-V191 WeakPolarHBondContact O-CA 3.45Å; L151-V191 HydrophobicContact CD1-CG2 4.38Å; Y186-V191 WeakPolarHBondContact CE1-O 3.35Å; V191-Y193 HydrophobicContact CG1-CE1 4.36Å; V191-Y193 HydrophobicContact CG1-CE2 4.01Å
192M97.6Very high97.9Very high1 Ų149.3 Ų49.31%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-106.1160.6172.670.4173-72.400111G149 I150 V152 L156 F177 Y186 R194G149-M192 CarbonylContact C-O 3.55Å; G149-M192 WeakPolarHBondContact CA-O 3.5Å; I150-M192 HydrophobicContact CB-CG 3.75Å; I150-M192 HydrophobicContact CD1-CG 4.25Å; I150-M192 HydrophobicContact CG2-CG 4.19Å; I150-M192 PolarHBondContact N-O 2.87Å; I150-M192 PolarHBondContact O-N 3.38Å; V152-M192 HydrophobicContact CG2-CB 3.98Å; V152-M192 HydrophobicContact CG2-CG 3.67Å; V152-M192 HydrophobicContact CG2-SD 3.83Å; L156-M192 HydrophobicContact CD2-SD 4.12Å; F177-M192 HydrophobicContact CD1-CE 3.92Å; F177-M192 HydrophobicContact CD1-SD 4.34Å; F177-M192 HydrophobicContact CE1-CE 3.76Å; F177-M192 HydrophobicContact CE1-SD 4.3Å; Y186-M192 HydrophobicContact CD1-CB 4.06Å; Y186-M192 HydrophobicContact CD2-CB 3.96Å; Y186-M192 HydrophobicContact CE1-CB 3.8Å; Y186-M192 HydrophobicContact CE2-CB 3.7Å; Y186-M192 HydrophobicContact CG-CB 4.13Å; M192-R194 HydrophobicContact CE-CG 3.64Å
193Y97.7Very high98Very high120 Ų12048.6 Ų48.647%0.47126%0.259SS..  trans-128.3147-179.8-58.5-94.1000109.9R147 T148 V191R147-Y193 WeakPolarHBondContact O-CD1 3.22Å; T148-Y193 WeakPolarHBondContact O-CE1 3.4Å; V191-Y193 HydrophobicContact CG1-CE1 4.36Å; V191-Y193 HydrophobicContact CG1-CE2 4.01Å
194R97.4Very high98.1Very high4 Ų446.4 Ų46.42%0.01524%0.237CC..  trans-13766.3178.9-63.2-173.579.4-174.41.1110C146 I150 I176 M192 E196 L197 A198 D401C146-R194 HydrophobicContact CB-CB 4.28Å; C146-R194 PolarHBondContact O-N 2.96Å; I150-R194 HydrophobicContact CD1-CB 4.1Å; I150-R194 HydrophobicContact CD1-CG 3.65Å; I176-R194 HydrophobicContact CD1-CG 4.45Å; M192-R194 HydrophobicContact CE-CG 3.64Å; R194-E196 VanDerWaalsContact C-N 3.31Å; R194-E196 PolarHBondContact O-N 2.73Å; R194-L197 HydrophobicContact CB-CB 3.95Å; R194-L197 VanDerWaalsContact NH1-CD2 3.33Å; R194-L197 PolarHBondContact O-N 2.94Å; R194-A198 PolarHBondContact O-N 2.99Å; R194-D401 WeakPolarHBondContact CB-OD2 3.23Å; R194-D401 IonicContact CZ-OD1 2.83Å; R194-D401 IonicContact CZ-OD2 3.76Å; R194-D401 VanDerWaalsContact CZ-OD2 3.32Å; R194-D401 IonicContact NE-OD1 3.79Å; R194-D401 IonicContact NE-OD2 3.51Å; R194-D401 PolarHBondContact NE-OD2 3.21Å; R194-D401 PolarHBondContact NH2-O 2.84Å; R194-D401 IonicContact NH2-OD1 2.75Å; R194-D401 PolarHBondContact NH2-OD1 3.49Å; R194-D401 IonicContact NH2-OD2 3.3Å; R194-D401 PolarHBondContact NH2-OD2 3.06Å; R194-D401 VanDerWaalsContact NH2-OD2 3.16Å
195P97.4Very high98.1Very high71 Ų7138 Ų3846%0.46121%0.207SC..Hα-helixtrans-64.6-33.8-171.425.1-31.7000112.9A198 Q199P195-A198 WeakPolarHBondContact O-CB 3.4Å; P195-A198 PolarHBondContact O-N 3.42Å; P195-Q199 PolarHBondContact O-N 2.94Å
196E97.8Very high98.1Very high82 Ų8242.8 Ų42.838%0.38323%0.229SC..Hα-helixtrans-65.6-42.5174.7-65.277.8-16900111.5R194 A198 Q199 L200 D401R194-E196 VanDerWaalsContact C-N 3.31Å; R194-E196 PolarHBondContact O-N 2.73Å; E196-A198 VanDerWaalsContact C-N 3.34Å; E196-Q199 PolarHBondContact O-N 3.08Å; E196-L200 PolarHBondContact O-N 3.08Å; E196-D401 HydrophobicContact CB-CB 3.9Å
197L98.4Very high98.1Very high10 Ų1043.1 Ų43.15%0.05224%0.235CC..Hα-helixtrans-67.6-37.4174.7-173.456.2000111.4V57 R194 Q199 L200 L201 D401V57-L197 HydrophobicContact CG2-CD2 3.86Å; R194-L197 HydrophobicContact CB-CB 3.95Å; R194-L197 VanDerWaalsContact NH1-CD2 3.33Å; R194-L197 PolarHBondContact O-N 2.94Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.15Å; L197-L200 HydrophobicContact CD1-CD2 4.05Å; L197-L200 PolarHBondContact O-N 2.98Å; L197-L201 HydrophobicContact CD1-CG 4.19Å; L197-L201 HydrophobicContact CG-CD1 4.21Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.47Å; L197-L201 PolarHBondContact O-N 3.24Å; L197-D401 HydrophobicContact CB-CB 3.97Å
198A98.7Very high98Very high0 Ų043.8 Ų43.80%026%0.256CS..Hα-helixtrans-57.6-45.5173.900000111A143 C146 R147 R194 P195 E196 L201 Q202A143-A198 VanDerWaalsContact O-CB 3.32Å; A143-A198 WeakPolarHBondContact O-CB 3.43Å; C146-A198 HydrophobicContact CB-CB 3.6Å; R147-A198 HydrophobicContact CB-CB 4Å; R194-A198 PolarHBondContact O-N 2.99Å; P195-A198 WeakPolarHBondContact O-CB 3.4Å; P195-A198 PolarHBondContact O-N 3.42Å; E196-A198 VanDerWaalsContact C-N 3.34Å; A198-L201 PolarHBondContact O-N 3.13Å; A198-Q202 WeakPolarHBondContact O-CB 3.41Å; A198-Q202 PolarHBondContact O-N 2.85Å
199Q98.7Very high98Very high87 Ų8745.3 Ų45.341%0.40726%0.259SS..Hα-helixtrans-65.1-45.6177.2-170.959.651.900111.5P195 E196 L197 L201 Q202 D203P195-Q199 PolarHBondContact O-N 2.94Å; E196-Q199 PolarHBondContact O-N 3.08Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.15Å; Q199-L201 PolarHBondContact O-N 3.03Å; Q199-Q202 WeakPolarHBondContact O-CB 3.43Å; Q199-Q202 PolarHBondContact O-N 2.81Å; Q199-D203 PolarHBondContact NE2-OD1 3.12Å; Q199-D203 PolarHBondContact O-N 2.93Å
200L98.7Very high98.1Very high2 Ų242.9 Ų42.91%0.0123%0.234CC..Hα-helixtrans-57.8-48.5176174.567.4000111.8I65 E196 L197 Q202 D203 L204 M219 Y400 I402I65-L200 HydrophobicContact CD1-CD2 3.47Å; I65-L200 VanDerWaalsContact CD1-CD2 3.47Å; I65-L200 HydrophobicContact CD1-CG 4.48Å; E196-L200 PolarHBondContact O-N 3.08Å; L197-L200 HydrophobicContact CD1-CD2 4.05Å; L197-L200 PolarHBondContact O-N 2.98Å; L200-Q202 PolarHBondContact O-N 3.27Å; L200-D203 PolarHBondContact O-N 2.8Å; L200-L204 HydrophobicContact CD1-CD1 4.1Å; L200-L204 HydrophobicContact CD1-CG 4.1Å; L200-L204 HydrophobicContact CD2-CD1 4.47Å; L200-L204 HydrophobicContact CG-CD1 3.97Å; L200-L204 HydrophobicContact CG-CG 4.35Å; L200-L204 WeakPolarHBondContact O-CB 3.48Å; L200-L204 VanDerWaalsContact O-CG 3.3Å; L200-L204 WeakPolarHBondContact O-CG 3.25Å; L200-L204 PolarHBondContact O-N 2.88Å; L200-M219 HydrophobicContact CD1-CE 3.7Å; L200-M219 HydrophobicContact CD1-SD 3.71Å; L200-Y400 HydrophobicContact CD1-CD1 4.13Å; L200-I402 HydrophobicContact CD2-CD1 3.71Å; L200-I402 HydrophobicContact CD2-CG1 3.62Å
201L98.8Very high98.1Very high4 Ų441.3 Ų41.32%0.02123%0.228CC..Hα-helixtrans-62.9-35.1-179.6-71178.5000111.4I53 V57 T142 A143 L197 A198 Q199 A205I53-L201 HydrophobicContact CG2-CD1 4.2Å; I53-L201 HydrophobicContact CG2-CD2 3.83Å; V57-L201 HydrophobicContact CG2-CD1 4.26Å; T142-L201 HydrophobicContact CG2-CD1 3.92Å; A143-L201 HydrophobicContact CB-CB 3.7Å; L197-L201 HydrophobicContact CD1-CG 4.19Å; L197-L201 HydrophobicContact CG-CD1 4.21Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.47Å; L197-L201 PolarHBondContact O-N 3.24Å; A198-L201 PolarHBondContact O-N 3.13Å; Q199-L201 PolarHBondContact O-N 3.03Å; L201-A205 WeakPolarHBondContact O-CB 3.43Å; L201-A205 PolarHBondContact O-N 3.26Å
202Q98.8Very high98.2Very high39 Ų3942.7 Ų42.718%0.18223%0.23CC..Hα-helixtrans-66.5-47.3172.5179.8172.9-24.100111.9M140 A198 Q199 L200 L204 A205 E206M140-Q202 HydrophobicContact CE-CG 4.4Å; M140-Q202 HydrophobicContact SD-CB 4.19Å; M140-Q202 HydrophobicContact SD-CG 4.05Å; A198-Q202 WeakPolarHBondContact O-CB 3.41Å; A198-Q202 PolarHBondContact O-N 2.85Å; Q199-Q202 WeakPolarHBondContact O-CB 3.43Å; Q199-Q202 PolarHBondContact O-N 2.81Å; L200-Q202 PolarHBondContact O-N 3.27Å; Q202-L204 VanDerWaalsContact C-N 3.27Å; Q202-L204 PolarHBondContact O-N 3.26Å; Q202-A205 WeakPolarHBondContact O-CA 3.35Å; Q202-A205 WeakPolarHBondContact O-CB 3.46Å; Q202-A205 PolarHBondContact O-N 2.98Å; Q202-E206 HydrophobicContact CG-CG 4.33Å; Q202-E206 PolarHBondContact NE2-OE1 3.23Å; Q202-E206 PolarHBondContact NE2-OE2 3.2Å; Q202-E206 WeakPolarHBondContact O-CB 3.44Å; Q202-E206 WeakPolarHBondContact O-CG 3.11Å; Q202-E206 PolarHBondContact O-N 3.4Å
203D98.8Very high98.2Very high53 Ų5344.7 Ų44.728%0.28324%0.241SC..Hα-helixtrans-57.8-42.8177.8-64.4-15.7000110.7Q199 L200 E206 A207 L213 M219Q199-D203 PolarHBondContact NE2-OD1 3.12Å; Q199-D203 PolarHBondContact O-N 2.93Å; L200-D203 PolarHBondContact O-N 2.8Å; D203-E206 PolarHBondContact O-N 3.13Å; D203-A207 WeakPolarHBondContact O-CB 3.37Å; D203-A207 PolarHBondContact O-N 2.98Å; D203-L213 HydrophobicContact CB-CD2 4.13Å; D203-M219 HydrophobicContact CB-CE 4.49Å
204L98.8Very high98.3Very high0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-67.8-31.6174.7-68.1176000113.1I65 L119 W135 L139 L200 Q202 P210 L213 F214I65-L204 HydrophobicContact CD1-CD1 4.2Å; L119-L204 HydrophobicContact CD1-CD1 4.36Å; L119-L204 HydrophobicContact CD2-CD1 4.02Å; L119-L204 HydrophobicContact CD2-CD2 3.71Å; W135-L204 PolarHBondContact NE1-O 2.92Å; L139-L204 HydrophobicContact CD2-CB 3.8Å; L200-L204 HydrophobicContact CD1-CD1 4.1Å; L200-L204 HydrophobicContact CD1-CG 4.1Å; L200-L204 HydrophobicContact CD2-CD1 4.47Å; L200-L204 HydrophobicContact CG-CD1 3.97Å; L200-L204 HydrophobicContact CG-CG 4.35Å; L200-L204 WeakPolarHBondContact O-CB 3.48Å; L200-L204 VanDerWaalsContact O-CG 3.3Å; L200-L204 WeakPolarHBondContact O-CG 3.25Å; L200-L204 PolarHBondContact O-N 2.88Å; Q202-L204 VanDerWaalsContact C-N 3.27Å; Q202-L204 PolarHBondContact O-N 3.26Å; L204-P210 HydrophobicContact CB-CB 4.49Å; L204-P210 HydrophobicContact CD2-CB 4.07Å; L204-L213 HydrophobicContact CD2-CD2 4.24Å; L204-F214 HydrophobicContact CD2-CB 4.32Å; L204-F214 HydrophobicContact CD2-CD2 4.41Å
205A98.7Very high98.3Very high6 Ų639 Ų395%0.0522%0.219CC..Hα-helixtrans-73-32.9177.700000112.1R136 L139 M140 L201 Q202R136-A205 HydrophobicContact CB-CB 4.45Å; R136-A205 WeakPolarHBondContact CB-O 3.27Å; R136-A205 HydrophobicContact CG-CB 4.12Å; L139-A205 HydrophobicContact CB-CB 3.78Å; L139-A205 HydrophobicContact CD2-CB 4.25Å; M140-A205 HydrophobicContact CG-CB 4.03Å; M140-A205 HydrophobicContact SD-CB 3.89Å; L201-A205 WeakPolarHBondContact O-CB 3.43Å; L201-A205 PolarHBondContact O-N 3.26Å; Q202-A205 WeakPolarHBondContact O-CA 3.35Å; Q202-A205 WeakPolarHBondContact O-CB 3.46Å; Q202-A205 PolarHBondContact O-N 2.98Å
206E98.2Very high98.4Very high103 Ų10338.9 Ų38.948%0.48121%0.214SC..Hα-helixtrans-95.6-14.1-175.6-66.6176.2170.700113Q202 D203Q202-E206 HydrophobicContact CG-CG 4.33Å; Q202-E206 PolarHBondContact NE2-OE1 3.23Å; Q202-E206 PolarHBondContact NE2-OE2 3.2Å; Q202-E206 WeakPolarHBondContact O-CB 3.44Å; Q202-E206 WeakPolarHBondContact O-CG 3.11Å; Q202-E206 PolarHBondContact O-N 3.4Å; D203-E206 PolarHBondContact O-N 3.13Å
207A98Very high98.4Very high24 Ų2436.4 Ų36.420%0.19821%0.205CC..  trans-62137.5175.900000112.5D203 D209 L213D203-A207 WeakPolarHBondContact O-CB 3.37Å; D203-A207 PolarHBondContact O-N 2.98Å; A207-D209 PolarHBondContact O-N 3.14Å; A207-L213 HydrophobicContact CB-CB 4.29Å; A207-L213 HydrophobicContact CB-CD2 3.85Å
208A96Very high98.4Very high106 Ų10640 Ų4088%0.87623%0.232SC*.SBendtrans-62.7-35.3169.800000112
209D97.7Very high98.4Very high69 Ų6940.5 Ų40.537%0.36923%0.234SC..  trans-138.3102.3171-170.3-29.6000109.5A207 V211 Q212 L213A207-D209 PolarHBondContact O-N 3.14Å; D209-V211 PolarHBondContact O-N 2.84Å; D209-V211 WeakPolarHBondContact OD1-CA 3.45Å; D209-V211 WeakPolarHBondContact OD1-CB 3.48Å; D209-V211 PolarHBondContact OD1-N 2.92Å; D209-Q212 HydrophobicContact CB-CB 3.83Å; D209-Q212 PolarHBondContact O-N 3.29Å; D209-Q212 PolarHBondContact OD1-N 3.22Å; D209-L213 PolarHBondContact O-N 3.36Å
210P98.5Very high98.4Very high0 Ų036.4 Ų36.40%022%0.215CC..Hα-helixtrans-65.7-25.8179.426.6-34.9000112.8W123 W135 L204 F214W123-P210 HydrophobicContact CD2-CG 3.7Å; W123-P210 HydrophobicContact CE3-CG 3.64Å; W123-P210 HydrophobicContact CG-CG 4.2Å; W123-P210 HydrophobicContact CH2-CG 4.24Å; W123-P210 HydrophobicContact CZ2-CG 4.28Å; W123-P210 HydrophobicContact CZ3-CG 3.93Å; W135-P210 HydrophobicContact CZ2-CG 4.1Å; L204-P210 HydrophobicContact CB-CB 4.49Å; L204-P210 HydrophobicContact CD2-CB 4.07Å; P210-F214 WeakPolarHBondContact O-CB 3.2Å; P210-F214 PolarHBondContact O-N 2.94Å
211V98.2Very high98.3Very high21 Ų2141.9 Ų41.913%0.12724%0.239CC..Hα-helixtrans-72.1-45.5175.7169.40000109.9H120 W123 D209 L213 F214 Y215H120-V211 HydrophobicContact CB-CG2 4.3Å; W123-V211 HydrophobicContact CB-CG2 3.63Å; W123-V211 HydrophobicContact CG-CG2 3.72Å; D209-V211 PolarHBondContact O-N 2.84Å; D209-V211 WeakPolarHBondContact OD1-CA 3.45Å; D209-V211 WeakPolarHBondContact OD1-CB 3.48Å; D209-V211 PolarHBondContact OD1-N 2.92Å; V211-L213 VanDerWaalsContact C-N 3.29Å; V211-L213 PolarHBondContact O-N 3.34Å; V211-F214 PolarHBondContact O-N 3Å; V211-Y215 HydrophobicContact CB-CD2 4.37Å; V211-Y215 HydrophobicContact CG1-CD2 3.84Å; V211-Y215 HydrophobicContact CG1-CG 4.48Å; V211-Y215 WeakPolarHBondContact O-CB 3.34Å; V211-Y215 WeakPolarHBondContact O-CD2 3.46Å; V211-Y215 PolarHBondContact O-N 2.67Å
212Q98.5Very high98.3Very high94 Ų9445.6 Ų45.644%0.43926%0.256SS..Hα-helixtrans-59.7-41.9174.8-176.96419.500111.3D209 N216D209-Q212 HydrophobicContact CB-CB 3.83Å; D209-Q212 PolarHBondContact O-N 3.29Å; D209-Q212 PolarHBondContact OD1-N 3.22Å; Q212-N216 VanDerWaalsContact NE2-CG 3.34Å; Q212-N216 PolarHBondContact NE2-ND2 2.61Å; Q212-N216 PolarHBondContact NE2-O 2.77Å; Q212-N216 CarbonylContact O-C 3.6Å; Q212-N216 WeakPolarHBondContact O-CA 3.32Å; Q212-N216 PolarHBondContact O-N 2.9Å; Q212-N216 PolarHBondContact OE1-ND2 3.13Å
213L98.7Very high98.3Very high44 Ų4443.8 Ų43.823%0.2325%0.247CC..Hα-helixtrans-61.1-46.1176.7-179.959.6000111.8D203 L204 A207 D209 V211 S217 M219D203-L213 HydrophobicContact CB-CD2 4.13Å; L204-L213 HydrophobicContact CD2-CD2 4.24Å; A207-L213 HydrophobicContact CB-CB 4.29Å; A207-L213 HydrophobicContact CB-CD2 3.85Å; D209-L213 PolarHBondContact O-N 3.36Å; V211-L213 VanDerWaalsContact C-N 3.29Å; V211-L213 PolarHBondContact O-N 3.34Å; L213-S217 WeakPolarHBondContact O-CB 3.31Å; L213-S217 PolarHBondContact O-OG 2.65Å; L213-M219 HydrophobicContact CD1-CB 4.49Å; L213-M219 HydrophobicContact CD1-CE 4.05Å; L213-M219 HydrophobicContact CD1-SD 4.49Å; L213-M219 HydrophobicContact CD2-CE 4.06Å; L213-M219 HydrophobicContact CG-CE 3.93Å; L213-M219 HydrophobicContact CG-SD 4.1Å
214F98.7Very high98.3Very high0 Ų041.4 Ų41.40%024%0.235CC..Hα-helixtrans-80-39.6-174.7-166.8-88.3000113.8I65 L119 L204 P210 V211 M219 T220 M223 M239 I402 W404I65-F214 HydrophobicContact CD1-CE2 4.04Å; L119-F214 HydrophobicContact CD2-CB 3.46Å; L119-F214 VanDerWaalsContact CD2-CB 3.46Å; L119-F214 HydrophobicContact CD2-CD1 4.24Å; L119-F214 HydrophobicContact CD2-CD2 3.73Å; L119-F214 HydrophobicContact CD2-CE2 4.5Å; L119-F214 HydrophobicContact CD2-CG 3.56Å; L204-F214 HydrophobicContact CD2-CB 4.32Å; L204-F214 HydrophobicContact CD2-CD2 4.41Å; P210-F214 WeakPolarHBondContact O-CB 3.2Å; P210-F214 PolarHBondContact O-N 2.94Å; V211-F214 PolarHBondContact O-N 3Å; F214-M219 HydrophobicContact CD2-SD 4.44Å; F214-T220 VanDerWaalsContact C-OG1 3.23Å; F214-T220 PolarHBondContact O-OG1 3.49Å; F214-M223 HydrophobicContact CD1-CE 4.02Å; F214-M223 HydrophobicContact CD2-CE 3.95Å; F214-M223 HydrophobicContact CD2-SD 4.34Å; F214-M223 HydrophobicContact CE1-CE 4.02Å; F214-M223 HydrophobicContact CE2-CE 3.95Å; F214-M223 HydrophobicContact CE2-SD 3.85Å; F214-M223 HydrophobicContact CG-CE 4Å; F214-M223 HydrophobicContact CZ-CE 3.99Å; F214-M223 HydrophobicContact CZ-SD 3.98Å; F214-M223 WeakPolarHBondContact O-CE 3.26Å; F214-M239 HydrophobicContact CD1-CE 4.11Å; F214-M239 HydrophobicContact CE1-CE 3.85Å; F214-I402 HydrophobicContact CE2-CD1 3.61Å; F214-I402 HydrophobicContact CZ-CD1 3.94Å; F214-W404 HydrophobicContact CZ-CH2 4.45Å; F214-W404 HydrophobicContact CZ-CZ3 4.4Å
215Y98.7Very high98.2Very high5 Ų547.7 Ų47.72%0.0226%0.262CS..Hα-helixtrans-104.1-12.7-169.6-67-89.9000114.5P116 L119 H120 V211 T220 M239 R240 Y242P116-Y215 VanDerWaalsContact O-CE1 3.23Å; P116-Y215 WeakPolarHBondContact O-CE1 3.35Å; P116-Y215 PolarHBondContact O-OH 3.39Å; L119-Y215 HydrophobicContact CB-CE2 4.39Å; L119-Y215 HydrophobicContact CD2-CE2 4.44Å; H120-Y215 HydrophobicContact CB-CE2 3.79Å; V211-Y215 HydrophobicContact CB-CD2 4.37Å; V211-Y215 HydrophobicContact CG1-CD2 3.84Å; V211-Y215 HydrophobicContact CG1-CG 4.48Å; V211-Y215 WeakPolarHBondContact O-CB 3.34Å; V211-Y215 WeakPolarHBondContact O-CD2 3.46Å; V211-Y215 PolarHBondContact O-N 2.67Å; Y215-T220 WeakPolarHBondContact CA-OG1 3.33Å; Y215-T220 PolarHBondContact N-OG1 3.02Å; Y215-T220 WeakPolarHBondContact O-CG2 3.38Å; Y215-M239 HydrophobicContact CD1-CB 4.47Å; Y215-M239 HydrophobicContact CD1-CE 3.87Å; Y215-M239 VanDerWaalsContact CD1-O 3.29Å; Y215-M239 WeakPolarHBondContact CD1-O 3.44Å; Y215-M239 HydrophobicContact CE1-CE 4.08Å; Y215-R240 WeakPolarHBondContact O-CA 3.42Å; Y215-R240 WeakPolarHBondContact O-CG 3.41Å; Y215-R240 PolarHBondContact O-N 2.84Å; Y215-Y242 HydrophobicContact CE1-CD1 4.03Å; Y215-Y242 HydrophobicContact CE1-CG 4.3Å
216N98.3Very high98.2Very high68 Ų6848 Ų4836%0.36426%0.263SS..SBendtrans-15154.7-176.6-17017.7000113.4Q212 T220 R240Q212-N216 VanDerWaalsContact NE2-CG 3.34Å; Q212-N216 PolarHBondContact NE2-ND2 2.61Å; Q212-N216 PolarHBondContact NE2-O 2.77Å; Q212-N216 CarbonylContact O-C 3.6Å; Q212-N216 WeakPolarHBondContact O-CA 3.32Å; Q212-N216 PolarHBondContact O-N 2.9Å; Q212-N216 PolarHBondContact OE1-ND2 3.13Å; N216-T220 PolarHBondContact N-OG1 3.12Å; N216-R240 HydrophobicContact CB-CG 3.88Å; N216-R240 WeakPolarHBondContact OD1-CD 2.97Å; N216-R240 WeakPolarHBondContact OD1-CG 3.46Å
217S98.5Very high98.1Very high29 Ų2943.1 Ų43.120%0.20324%0.24CC..SBendtrans-144.6-174.3177.286.30000112.9L213 M219 T220 K221L213-S217 WeakPolarHBondContact O-CB 3.31Å; L213-S217 PolarHBondContact O-OG 2.65Å; S217-M219 PolarHBondContact O-N 2.94Å; S217-M219 WeakPolarHBondContact OG-CB 3.42Å; S217-M219 PolarHBondContact OG-N 3.39Å; S217-T220 PolarHBondContact N-OG1 3.14Å; S217-T220 VanDerWaalsContact O-CB 3.29Å; S217-T220 WeakPolarHBondContact O-CB 3.46Å; S217-T220 PolarHBondContact O-N 3.04Å; S217-T220 VanDerWaalsContact O-N 3.12Å; S217-K221 WeakPolarHBondContact O-CG 3.3Å; S217-K221 PolarHBondContact O-N 2.51Å
218S98Very high98.1Very high87 Ų8746.5 Ų46.561%0.60825%0.251SS*.Hα-helixtrans-57-35.2168.753.20000112.4T220 K221 E222S218-T220 VanDerWaalsContact C-N 3.29Å; S218-T220 PolarHBondContact O-N 3.16Å; S218-K221 WeakPolarHBondContact O-CB 3.24Å; S218-K221 PolarHBondContact O-N 3.06Å; S218-E222 WeakPolarHBondContact O-CG 3.2Å; S218-E222 PolarHBondContact O-N 2.76Å
219M98.3Very high98.2Very high9 Ų946.6 Ų46.64%0.04423%0.234CC..Hα-helixtrans-58.7-43.1174.3-178.6-175.1-73.500110.8L200 D203 L213 F214 S217 K221 E222 M223 Y400L200-M219 HydrophobicContact CD1-CE 3.7Å; L200-M219 HydrophobicContact CD1-SD 3.71Å; D203-M219 HydrophobicContact CB-CE 4.49Å; L213-M219 HydrophobicContact CD1-CB 4.49Å; L213-M219 HydrophobicContact CD1-CE 4.05Å; L213-M219 HydrophobicContact CD1-SD 4.49Å; L213-M219 HydrophobicContact CD2-CE 4.06Å; L213-M219 HydrophobicContact CG-CE 3.93Å; L213-M219 HydrophobicContact CG-SD 4.1Å; F214-M219 HydrophobicContact CD2-SD 4.44Å; S217-M219 PolarHBondContact O-N 2.94Å; S217-M219 WeakPolarHBondContact OG-CB 3.42Å; S217-M219 PolarHBondContact OG-N 3.39Å; M219-K221 VanDerWaalsContact C-N 3.34Å; M219-K221 PolarHBondContact O-N 3.38Å; M219-E222 PolarHBondContact O-N 3.26Å; M219-M223 HydrophobicContact CG-CE 4.04Å; M219-M223 HydrophobicContact CG-SD 4.34Å; M219-M223 WeakPolarHBondContact O-CG 3.36Å; M219-M223 PolarHBondContact O-N 2.93Å; M219-Y400 WeakPolarHBondContact CA-OH 3.17Å; M219-Y400 HydrophobicContact CE-CE1 4.01Å; M219-Y400 HydrophobicContact CG-CE1 3.82Å; M219-Y400 HydrophobicContact CG-CE2 4.06Å; M219-Y400 WeakPolarHBondContact CG-OH 3.42Å; M219-Y400 HydrophobicContact SD-CE1 4.41Å
220T98.5Very high98Very high2 Ų245 Ų451%0.01222%0.223CC..Hα-helixtrans-59.6-44.7175.8-46.30000111.8F214 Y215 N216 S217 S218 E222 M223 V224 M239F214-T220 VanDerWaalsContact C-OG1 3.23Å; F214-T220 PolarHBondContact O-OG1 3.49Å; Y215-T220 WeakPolarHBondContact CA-OG1 3.33Å; Y215-T220 PolarHBondContact N-OG1 3.02Å; Y215-T220 WeakPolarHBondContact O-CG2 3.38Å; N216-T220 PolarHBondContact N-OG1 3.12Å; S217-T220 PolarHBondContact N-OG1 3.14Å; S217-T220 VanDerWaalsContact O-CB 3.29Å; S217-T220 WeakPolarHBondContact O-CB 3.46Å; S217-T220 PolarHBondContact O-N 3.04Å; S217-T220 VanDerWaalsContact O-N 3.12Å; S218-T220 VanDerWaalsContact C-N 3.29Å; S218-T220 PolarHBondContact O-N 3.16Å; T220-E222 VanDerWaalsContact C-N 3.31Å; T220-E222 PolarHBondContact O-N 3.39Å; T220-M223 PolarHBondContact O-N 3.48Å; T220-V224 HydrophobicContact CG2-CG2 4.25Å; T220-V224 WeakPolarHBondContact O-CB 3.44Å; T220-V224 VanDerWaalsContact O-CG2 3.28Å; T220-V224 WeakPolarHBondContact O-CG2 3.33Å; T220-V224 PolarHBondContact O-N 3.35Å; T220-M239 HydrophobicContact CG2-CB 3.6Å; T220-M239 HydrophobicContact CG2-CG 3.93Å
221K98.5Very high97.9Very high117 Ų11746.8 Ų46.851%0.50924%0.242SC..Hα-helixtrans-61-42.9178.9-54.5-165.5172.7176.50111.7S217 S218 M219 K225 E236S217-K221 WeakPolarHBondContact O-CG 3.3Å; S217-K221 PolarHBondContact O-N 2.51Å; S218-K221 WeakPolarHBondContact O-CB 3.24Å; S218-K221 PolarHBondContact O-N 3.06Å; M219-K221 VanDerWaalsContact C-N 3.34Å; M219-K221 PolarHBondContact O-N 3.38Å; K221-K225 VanDerWaalsContact O-CB 3.31Å; K221-K225 WeakPolarHBondContact O-CB 3.36Å; K221-K225 PolarHBondContact O-N 2.61Å; K221-E236 WeakPolarHBondContact CE-OE2 3.22Å; K221-E236 HydrophobicContact CG-CG 4.47Å; K221-E236 WeakPolarHBondContact CG-OE1 3.4Å
222E98.2Very high97.9Very high82 Ų8246.3 Ų46.338%0.38324%0.239SC..Hα-helixtrans-66-44.2178.9-68179131.900111.6S218 M219 T220 E226 K399 Y400S218-E222 WeakPolarHBondContact O-CG 3.2Å; S218-E222 PolarHBondContact O-N 2.76Å; M219-E222 PolarHBondContact O-N 3.26Å; T220-E222 VanDerWaalsContact C-N 3.31Å; T220-E222 PolarHBondContact O-N 3.39Å; E222-E226 WeakPolarHBondContact O-CB 3.41Å; E222-E226 PolarHBondContact O-N 2.59Å; E222-E226 VanDerWaalsContact O-N 3.08Å; E222-K399 IonicContact OE1-NZ 3.15Å; E222-K399 PolarHBondContact OE1-NZ 2.68Å; E222-K399 IonicContact OE2-NZ 3.71Å; E222-K399 PolarHBondContact OE2-NZ 3.41Å; E222-Y400 HydrophobicContact CB-CE2 4.23Å; E222-Y400 PolarHBondContact OE2-OH 3.4Å
223M98.1Very high97.9Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-63.1-45.8175.5-70-171.6-59.300112.3F214 M219 T220 E226 M227 M239 Y400 I402 W404F214-M223 HydrophobicContact CD1-CE 4.02Å; F214-M223 HydrophobicContact CD2-CE 3.95Å; F214-M223 HydrophobicContact CD2-SD 4.34Å; F214-M223 HydrophobicContact CE1-CE 4.02Å; F214-M223 HydrophobicContact CE2-CE 3.95Å; F214-M223 HydrophobicContact CE2-SD 3.85Å; F214-M223 HydrophobicContact CG-CE 4Å; F214-M223 HydrophobicContact CZ-CE 3.99Å; F214-M223 HydrophobicContact CZ-SD 3.98Å; F214-M223 WeakPolarHBondContact O-CE 3.26Å; M219-M223 HydrophobicContact CG-CE 4.04Å; M219-M223 HydrophobicContact CG-SD 4.34Å; M219-M223 WeakPolarHBondContact O-CG 3.36Å; M219-M223 PolarHBondContact O-N 2.93Å; T220-M223 PolarHBondContact O-N 3.48Å; M223-E226 PolarHBondContact O-N 3.19Å; M223-M227 WeakPolarHBondContact O-CG 3.42Å; M223-M227 PolarHBondContact O-N 3.43Å; M223-M239 HydrophobicContact CE-CE 4.46Å; M223-Y400 HydrophobicContact CG-CD2 3.45Å; M223-Y400 VanDerWaalsContact CG-CD2 3.45Å; M223-Y400 HydrophobicContact CG-CE2 3.47Å; M223-Y400 VanDerWaalsContact CG-CE2 3.47Å; M223-Y400 HydrophobicContact SD-CD2 4.11Å; M223-Y400 HydrophobicContact SD-CE2 4.43Å; M223-I402 HydrophobicContact SD-CD1 3.64Å; M223-W404 HydrophobicContact CB-CH2 4.42Å; M223-W404 HydrophobicContact CB-CZ2 4.39Å; M223-W404 HydrophobicContact CG-CH2 4.35Å; M223-W404 HydrophobicContact CG-CZ2 4.4Å; M223-W404 HydrophobicContact SD-CH2 3.77Å; M223-W404 HydrophobicContact SD-CZ2 4.35Å
224V98.5Very high97.9Very high3 Ų341.8 Ų41.82%0.01822%0.217CC..Hα-helixtrans-63.3-45.6179.7168.70000111T220 E226 M227 Q228 I234 E236 M239T220-V224 HydrophobicContact CG2-CG2 4.25Å; T220-V224 WeakPolarHBondContact O-CB 3.44Å; T220-V224 VanDerWaalsContact O-CG2 3.28Å; T220-V224 WeakPolarHBondContact O-CG2 3.33Å; T220-V224 PolarHBondContact O-N 3.35Å; V224-E226 VanDerWaalsContact C-N 3.31Å; V224-E226 PolarHBondContact O-N 3.35Å; V224-M227 HydrophobicContact CG2-CE 4.01Å; V224-M227 PolarHBondContact O-N 3.2Å; V224-Q228 HydrophobicContact CG1-CG 4.37Å; V224-Q228 WeakPolarHBondContact O-CB 3.34Å; V224-Q228 VanDerWaalsContact O-CG 3.29Å; V224-Q228 WeakPolarHBondContact O-CG 3.37Å; V224-Q228 PolarHBondContact O-N 3.35Å; V224-I234 HydrophobicContact CG2-CG2 4.33Å; V224-E236 HydrophobicContact CB-CG 4.29Å; V224-E236 HydrophobicContact CG1-CG 4.2Å; V224-E236 HydrophobicContact CG2-CG 4.35Å; V224-M239 HydrophobicContact CG2-CG 3.72Å
225K98.4Very high97.9Very high133 Ų13343.9 Ų43.958%0.57823%0.23SC*.Hα-helixtrans-56.7-46.9176.1-177.9-175.9173.7-172.50111.2K221 Q228 E229K221-K225 VanDerWaalsContact O-CB 3.31Å; K221-K225 WeakPolarHBondContact O-CB 3.36Å; K221-K225 PolarHBondContact O-N 2.61Å; K225-Q228 PolarHBondContact O-N 3.46Å; K225-E229 WeakPolarHBondContact O-CG 3.38Å; K225-E229 PolarHBondContact O-N 2.86Å
226E97Very high97.9Very high13 Ų1346.7 Ų46.76%0.06124%0.244CC..Hα-helixtrans-64.6-42.3178.2178.7167.9-13600112.6E222 M223 V224 Q228 E229 Y230 S397 R398E222-E226 WeakPolarHBondContact O-CB 3.41Å; E222-E226 PolarHBondContact O-N 2.59Å; E222-E226 VanDerWaalsContact O-N 3.08Å; M223-E226 PolarHBondContact O-N 3.19Å; V224-E226 VanDerWaalsContact C-N 3.31Å; V224-E226 PolarHBondContact O-N 3.35Å; E226-Q228 VanDerWaalsContact C-N 3.28Å; E226-Q228 PolarHBondContact O-N 3.02Å; E226-E229 WeakPolarHBondContact O-CB 3.3Å; E226-E229 PolarHBondContact O-N 2.87Å; E226-Y230 HydrophobicContact CG-CE2 3.69Å; E226-Y230 WeakPolarHBondContact O-CD2 3.42Å; E226-Y230 PolarHBondContact O-N 3.18Å; E226-Y230 PolarHBondContact OE1-OH 2.93Å; E226-S397 WeakPolarHBondContact OE2-CA 3.37Å; E226-S397 WeakPolarHBondContact OE2-CB 3.5Å; E226-S397 PolarHBondContact OE2-OG 3.4Å; E226-R398 VanDerWaalsContact CD-N 3.35Å; E226-R398 WeakPolarHBondContact OE1-CB 3.48Å; E226-R398 WeakPolarHBondContact OE1-CG 3.49Å; E226-R398 IonicContact OE1-CZ 3.46Å; E226-R398 PolarHBondContact OE1-N 3.34Å; E226-R398 IonicContact OE1-NE 3.78Å; E226-R398 PolarHBondContact OE1-NE 2.82Å; E226-R398 IonicContact OE1-NH2 2.69Å; E226-R398 PolarHBondContact OE1-NH2 2.62Å; E226-R398 PolarHBondContact OE2-N 2.8Å
227M97.5Very high97.9Very high0 Ų048.8 Ų48.80%025%0.251CS..Hα-helixtrans-60.5-38.5174.3-73.2-172.5-68.500111.9I113 M223 V224 Y230 G231 S232 I234 M239 W404I113-M227 HydrophobicContact CD1-CG 4.22Å; I113-M227 HydrophobicContact CD1-SD 4.4Å; I113-M227 HydrophobicContact CG2-SD 4.13Å; M223-M227 WeakPolarHBondContact O-CG 3.42Å; M223-M227 PolarHBondContact O-N 3.43Å; V224-M227 HydrophobicContact CG2-CE 4.01Å; V224-M227 PolarHBondContact O-N 3.2Å; M227-Y230 CarbonylContact O-C 3.13Å; M227-Y230 WeakPolarHBondContact O-CA 3.22Å; M227-Y230 WeakPolarHBondContact O-CB 3.22Å; M227-Y230 PolarHBondContact O-N 3.07Å; M227-Y230 VanDerWaalsContact O-N 3.08Å; M227-G231 PolarHBondContact O-N 2.97Å; M227-S232 VanDerWaalsContact C-CB 3.46Å; M227-S232 WeakPolarHBondContact O-CB 3.17Å; M227-S232 PolarHBondContact O-N 2.93Å; M227-I234 HydrophobicContact CE-CB 4.35Å; M227-I234 HydrophobicContact CE-CD1 4.34Å; M227-I234 HydrophobicContact CE-CG2 3.89Å; M227-I234 HydrophobicContact SD-CD1 4.02Å; M227-M239 HydrophobicContact CE-SD 4.38Å; M227-W404 HydrophobicContact CG-CD2 4.41Å; M227-W404 HydrophobicContact CG-CZ2 4.25Å; M227-W404 HydrophobicContact SD-CD2 4.11Å; M227-W404 HydrophobicContact SD-CE3 4.29Å; M227-W404 HydrophobicContact SD-CH2 4.42Å; M227-W404 HydrophobicContact SD-CZ2 4.24Å; M227-W404 HydrophobicContact SD-CZ3 4.45Å
228Q97.7Very high97.9Very high94 Ų9447.9 Ų47.944%0.43924%0.244SC..Hα-helixtrans-68.6-32.1177.4-72.6173.5-9.500112.6V224 K225 E226 Y230 G231 I234V224-Q228 HydrophobicContact CG1-CG 4.37Å; V224-Q228 WeakPolarHBondContact O-CB 3.34Å; V224-Q228 VanDerWaalsContact O-CG 3.29Å; V224-Q228 WeakPolarHBondContact O-CG 3.37Å; V224-Q228 PolarHBondContact O-N 3.35Å; K225-Q228 PolarHBondContact O-N 3.46Å; E226-Q228 VanDerWaalsContact C-N 3.28Å; E226-Q228 PolarHBondContact O-N 3.02Å; Q228-Y230 PolarHBondContact O-N 3.28Å; Q228-G231 WeakPolarHBondContact O-CA 3.39Å; Q228-G231 PolarHBondContact O-N 3.14Å; Q228-I234 PolarHBondContact NE2-O 2.78Å
229E96.7Very high98Very high108 Ų10843.7 Ų43.751%0.50522%0.215SC..Hα-helixtrans-61.6-27.7169.5-69170.4-168.500111.9K225 E226 G231 R398K225-E229 WeakPolarHBondContact O-CG 3.38Å; K225-E229 PolarHBondContact O-N 2.86Å; E226-E229 WeakPolarHBondContact O-CB 3.3Å; E226-E229 PolarHBondContact O-N 2.87Å; E229-G231 VanDerWaalsContact C-N 3.27Å; E229-G231 PolarHBondContact O-N 3.31Å; E229-R398 IonicContact OE2-CZ 2.89Å; E229-R398 IonicContact OE2-NH2 2.72Å; E229-R398 PolarHBondContact OE2-NH2 3.07Å
230Y94.9Very high98Very high36 Ų3648.1 Ų48.114%0.14123%0.231CC..THydrogen-bonded Turntrans-84.14.7171.7-51.9-37.5000113.7G110 Q173 E226 M227 Q228 M395 R396 R398G110-Y230 VanDerWaalsContact CA-O 3.27Å; G110-Y230 WeakPolarHBondContact CA-O 3.19Å; G110-Y230 PolarHBondContact N-O 2.94Å; Q173-Y230 HydrophobicContact CG-CE1 4Å; Q173-Y230 PolarHBondContact OE1-OH 3.12Å; E226-Y230 HydrophobicContact CG-CE2 3.69Å; E226-Y230 WeakPolarHBondContact O-CD2 3.42Å; E226-Y230 PolarHBondContact O-N 3.18Å; E226-Y230 PolarHBondContact OE1-OH 2.93Å; M227-Y230 CarbonylContact O-C 3.13Å; M227-Y230 WeakPolarHBondContact O-CA 3.22Å; M227-Y230 WeakPolarHBondContact O-CB 3.22Å; M227-Y230 PolarHBondContact O-N 3.07Å; M227-Y230 VanDerWaalsContact O-N 3.08Å; Q228-Y230 PolarHBondContact O-N 3.28Å; Y230-M395 HydrophobicContact CD1-SD 3.92Å; Y230-M395 HydrophobicContact CD2-CB 3.81Å; Y230-M395 HydrophobicContact CD2-CG 4Å; Y230-M395 HydrophobicContact CD2-SD 4.12Å; Y230-M395 HydrophobicContact CE1-SD 4.41Å; Y230-M395 HydrophobicContact CE2-CB 4.18Å; Y230-M395 HydrophobicContact CG-CB 4.38Å; Y230-M395 HydrophobicContact CG-CG 4.06Å; Y230-M395 HydrophobicContact CG-SD 3.76Å; Y230-R396 PolarHBondContact OH-O 2.76Å; Y230-R396 VanDerWaalsContact OH-O 3.08Å; Y230-R398 PolarHBondContact OH-NH1 3.15Å
231G96.4Very high98Very high38 Ų3852.8 Ų52.839%0.39226%0.256SS..THydrogen-bonded Turntrans83.218.5-177.800000114.4K111 M227 Q228 E229K111-G231 VanDerWaalsContact CG-O 3.27Å; K111-G231 WeakPolarHBondContact CG-O 3.48Å; M227-G231 PolarHBondContact O-N 2.97Å; Q228-G231 WeakPolarHBondContact O-CA 3.39Å; Q228-G231 PolarHBondContact O-N 3.14Å; E229-G231 VanDerWaalsContact C-N 3.27Å; E229-G231 PolarHBondContact O-N 3.31Å
232S98.1Very high98Very high10 Ų1047.4 Ų47.47%0.0723%0.233CC..  trans-68.6147.5174.7-168.80000112G110 M227 I234G110-S232 VanDerWaalsContact O-CA 3.24Å; G110-S232 WeakPolarHBondContact O-CA 3.33Å; G110-S232 VanDerWaalsContact O-CB 3.24Å; G110-S232 WeakPolarHBondContact O-CB 3.36Å; G110-S232 PolarHBondContact O-OG 2.87Å; G110-S232 VanDerWaalsContact O-OG 3.11Å; M227-S232 VanDerWaalsContact C-CB 3.46Å; M227-S232 WeakPolarHBondContact O-CB 3.17Å; M227-S232 PolarHBondContact O-N 2.93Å; S232-I234 PolarHBondContact OG-N 2.59Å
233I98.2Very high97.9Very high43 Ų4347.1 Ų47.122%0.22124%0.237CC..  trans-98.65.1174.760.8163.4000112.5P91 A93 M98P91-I233 HydrophobicContact CB-CD1 4.12Å; P91-I233 HydrophobicContact CB-CG1 4Å; P91-I233 HydrophobicContact CG-CD1 4.32Å; P91-I233 HydrophobicContact CG-CG1 4.02Å; A93-I233 HydrophobicContact CB-CB 4.15Å; A93-I233 HydrophobicContact CB-CD1 4.24Å; M98-I233 HydrophobicContact CE-CD1 3.65Å; M98-I233 HydrophobicContact SD-CD1 4.36Å
234I98.7Very high97.9Very high0 Ų047.4 Ų47.40%024%0.238CC..  trans-67.2135.2174.3-69.8168.9000109.6P91 I113 I115 V224 M227 Q228 S232 D238 M239P91-I234 HydrophobicContact CB-CG1 4.15Å; P91-I234 HydrophobicContact CG-CD1 4.38Å; P91-I234 HydrophobicContact CG-CG1 3.46Å; P91-I234 VanDerWaalsContact CG-CG1 3.46Å; I113-I234 HydrophobicContact CB-CD1 4.19Å; I113-I234 HydrophobicContact CG2-CD1 3.65Å; I115-I234 HydrophobicContact CG1-CG1 4.36Å; V224-I234 HydrophobicContact CG2-CG2 4.33Å; M227-I234 HydrophobicContact CE-CB 4.35Å; M227-I234 HydrophobicContact CE-CD1 4.34Å; M227-I234 HydrophobicContact CE-CG2 3.89Å; M227-I234 HydrophobicContact SD-CD1 4.02Å; Q228-I234 PolarHBondContact NE2-O 2.78Å; S232-I234 PolarHBondContact OG-N 2.59Å; I234-D238 HydrophobicContact CG2-CB 4.27Å; I234-M239 HydrophobicContact CG2-CG 3.93Å; I234-M239 HydrophobicContact CG2-SD 4.06Å
235T98.7Very high97.5Very high44 Ų4450.9 Ų50.927%0.2725%0.253SS..  trans-108166.7172.867.20000111.5E237 D238 M239T235-E237 PolarHBondContact O-N 3.28Å; T235-E237 PolarHBondContact OG1-N 2.93Å; T235-D238 WeakPolarHBondContact CB-OD2 3.16Å; T235-D238 PolarHBondContact N-OD2 3.02Å; T235-D238 WeakPolarHBondContact O-CB 3.48Å; T235-D238 PolarHBondContact O-N 3.03Å; T235-D238 PolarHBondContact OG1-N 3.33Å; T235-D238 VanDerWaalsContact OG1-N 3.08Å; T235-D238 PolarHBondContact OG1-OD2 3.01Å; T235-M239 PolarHBondContact O-N 2.78Å
236E98.7Very high97.4Very high64 Ų6445.9 Ų45.930%0.29924%0.237SC..Hα-helixtrans-62.2-31.2171.1-59.5-179.4-162.700111.9K221 V224 M239 R240K221-E236 WeakPolarHBondContact CE-OE2 3.22Å; K221-E236 HydrophobicContact CG-CG 4.47Å; K221-E236 WeakPolarHBondContact CG-OE1 3.4Å; V224-E236 HydrophobicContact CB-CG 4.29Å; V224-E236 HydrophobicContact CG1-CG 4.2Å; V224-E236 HydrophobicContact CG2-CG 4.35Å; E236-M239 PolarHBondContact O-N 3.07Å; E236-R240 VanDerWaalsContact CB-NH1 3.32Å; E236-R240 WeakPolarHBondContact O-CG 3.21Å; E236-R240 PolarHBondContact O-N 3.17Å; E236-R240 IonicContact OE2-NH1 3.28Å; E236-R240 PolarHBondContact OE2-NH1 3.13Å
237E98.7Very high97.4Very high112 Ų11247.6 Ų47.652%0.52325%0.246SC..Hα-helixtrans-68.9-39.2177.3-177.7167.6-173.600111.7T235 M239 R240 N241T235-E237 PolarHBondContact O-N 3.28Å; T235-E237 PolarHBondContact OG1-N 2.93Å; E237-M239 VanDerWaalsContact C-N 3.32Å; E237-M239 PolarHBondContact O-N 3.03Å; E237-R240 PolarHBondContact O-N 3.24Å; E237-N241 VanDerWaalsContact CG-ND2 3.25Å; E237-N241 WeakPolarHBondContact CG-ND2 2.93Å; E237-N241 VanDerWaalsContact O-CB 3.28Å; E237-N241 WeakPolarHBondContact O-CB 3.08Å; E237-N241 VanDerWaalsContact O-CG 3.24Å; E237-N241 PolarHBondContact O-N 3.24Å; E237-N241 PolarHBondContact O-ND2 3.05Å
238D98.8Very high97.4Very high10 Ų1051.3 Ų51.35%0.05328%0.276CS..Hα-helixtrans-57.6-45.1172.6-67.5-46.5000111.8S92 I115 I234 T235 N241 Y242S92-D238 WeakPolarHBondContact CA-OD1 3.47Å; S92-D238 WeakPolarHBondContact CB-OD1 3.5Å; S92-D238 PolarHBondContact N-OD1 3.25Å; S92-D238 PolarHBondContact OG-OD1 2.74Å; S92-D238 PolarHBondContact OG-OD2 2.97Å; I115-D238 HydrophobicContact CD1-CB 3.73Å; I115-D238 HydrophobicContact CG1-CB 4.07Å; I234-D238 HydrophobicContact CG2-CB 4.27Å; T235-D238 WeakPolarHBondContact CB-OD2 3.16Å; T235-D238 PolarHBondContact N-OD2 3.02Å; T235-D238 WeakPolarHBondContact O-CB 3.48Å; T235-D238 PolarHBondContact O-N 3.03Å; T235-D238 PolarHBondContact OG1-N 3.33Å; T235-D238 VanDerWaalsContact OG1-N 3.08Å; T235-D238 PolarHBondContact OG1-OD2 3.01Å; D238-N241 PolarHBondContact O-N 3.31Å; D238-Y242 PolarHBondContact O-N 3.42Å
239M98.8Very high97.4Very high0 Ų048.2 Ų48.20%026%0.264CS..Hα-helixtrans-63.1-47.9176.2-65.6-65.3-69.900111.1I115 F214 Y215 T220 M223 V224 M227 I234 T235 E236 E237 N241 Y242I115-M239 HydrophobicContact CG2-SD 3.91Å; F214-M239 HydrophobicContact CD1-CE 4.11Å; F214-M239 HydrophobicContact CE1-CE 3.85Å; Y215-M239 HydrophobicContact CD1-CB 4.47Å; Y215-M239 HydrophobicContact CD1-CE 3.87Å; Y215-M239 VanDerWaalsContact CD1-O 3.29Å; Y215-M239 WeakPolarHBondContact CD1-O 3.44Å; Y215-M239 HydrophobicContact CE1-CE 4.08Å; T220-M239 HydrophobicContact CG2-CB 3.6Å; T220-M239 HydrophobicContact CG2-CG 3.93Å; M223-M239 HydrophobicContact CE-CE 4.46Å; V224-M239 HydrophobicContact CG2-CG 3.72Å; M227-M239 HydrophobicContact CE-SD 4.38Å; I234-M239 HydrophobicContact CG2-CG 3.93Å; I234-M239 HydrophobicContact CG2-SD 4.06Å; T235-M239 PolarHBondContact O-N 2.78Å; E236-M239 PolarHBondContact O-N 3.07Å; E237-M239 VanDerWaalsContact C-N 3.32Å; E237-M239 PolarHBondContact O-N 3.03Å; M239-N241 VanDerWaalsContact C-N 3.29Å; M239-N241 PolarHBondContact O-N 2.64Å; M239-Y242 PolarHBondContact O-N 2.9Å
240R98.4Very high97.5Very high101 Ų10143.8 Ų43.838%0.38125%0.245SC..Hα-helixtrans-61.8-35179.8-75.4-170.8-62.4-93.61113.5Y215 N216 E236 E237Y215-R240 WeakPolarHBondContact O-CA 3.42Å; Y215-R240 WeakPolarHBondContact O-CG 3.41Å; Y215-R240 PolarHBondContact O-N 2.84Å; N216-R240 HydrophobicContact CB-CG 3.88Å; N216-R240 WeakPolarHBondContact OD1-CD 2.97Å; N216-R240 WeakPolarHBondContact OD1-CG 3.46Å; E236-R240 VanDerWaalsContact CB-NH1 3.32Å; E236-R240 WeakPolarHBondContact O-CG 3.21Å; E236-R240 PolarHBondContact O-N 3.17Å; E236-R240 IonicContact OE2-NH1 3.28Å; E236-R240 PolarHBondContact OE2-NH1 3.13Å; E237-R240 PolarHBondContact O-N 3.24Å
241N98.1Very high97.6Very high101 Ų10145.8 Ų45.854%0.5426%0.255SS..Hα-helixtrans-87.9-5.3-175.2-69.6-19.2000113.3E237 D238 M239 V243E237-N241 VanDerWaalsContact CG-ND2 3.25Å; E237-N241 WeakPolarHBondContact CG-ND2 2.93Å; E237-N241 VanDerWaalsContact O-CB 3.28Å; E237-N241 WeakPolarHBondContact O-CB 3.08Å; E237-N241 VanDerWaalsContact O-CG 3.24Å; E237-N241 PolarHBondContact O-N 3.24Å; E237-N241 PolarHBondContact O-ND2 3.05Å; D238-N241 PolarHBondContact O-N 3.31Å; M239-N241 VanDerWaalsContact C-N 3.29Å; M239-N241 PolarHBondContact O-N 2.64Å; N241-V243 PolarHBondContact O-N 3.03Å
242Y98.5Very high97.6Very high4 Ų444.5 Ų44.52%0.01624%0.24CC..  trans-67131.4176.9-176.4-86.6000111.2A86 R87 M89 I115 G117 H120 Y215 D238 M239 S244A86-Y242 VanDerWaalsContact C-OH 3.24Å; A86-Y242 PolarHBondContact O-OH 3.18Å; R87-Y242 WeakPolarHBondContact O-CE2 3.21Å; R87-Y242 PolarHBondContact O-OH 3.39Å; M89-Y242 HydrophobicContact CB-CD2 4.09Å; M89-Y242 HydrophobicContact CB-CE2 4.09Å; M89-Y242 HydrophobicContact CG-CD2 4.03Å; M89-Y242 HydrophobicContact CG-CE2 3.74Å; M89-Y242 HydrophobicContact SD-CD2 3.63Å; M89-Y242 HydrophobicContact SD-CE2 3.67Å; I115-Y242 HydrophobicContact CB-CD2 4Å; I115-Y242 HydrophobicContact CG2-CD2 3.62Å; I115-Y242 HydrophobicContact CG2-CG 3.89Å; G117-Y242 WeakPolarHBondContact CA-OH 3.14Å; H120-Y242 HydrophobicContact CB-CD1 4.04Å; H120-Y242 HydrophobicContact CB-CE1 3.92Å; Y215-Y242 HydrophobicContact CE1-CD1 4.03Å; Y215-Y242 HydrophobicContact CE1-CG 4.3Å; D238-Y242 PolarHBondContact O-N 3.42Å; M239-Y242 PolarHBondContact O-N 2.9Å; Y242-S244 WeakPolarHBondContact CE1-OG 3.13Å
243V97.6Very high97.5Very high76 Ų7645.9 Ų45.946%0.46125%0.249SC..  trans-140.4120.4177.8-179.20000110.6N241 R435N241-V243 PolarHBondContact O-N 3.03Å; V243-R435 PolarHBondContact O-NH2 3.5Å
244S97.6Very high97.3Very high5 Ų543.8 Ų43.84%0.03524%0.239CC..  trans-75.3145.6165.4-48.20000111.2D85 G117 H120 G121 Y242D85-S244 VanDerWaalsContact O-CA 3.28Å; D85-S244 WeakPolarHBondContact O-CA 3.35Å; D85-S244 WeakPolarHBondContact O-CB 3.23Å; G117-S244 PolarHBondContact O-OG 2.78Å; H120-S244 PolarHBondContact CE1-N 3.18Å; H120-S244 VanDerWaalsContact CE1-N 3.31Å; H120-S244 WeakPolarHBondContact ND1-CB 3.49Å; H120-S244 PolarHBondContact ND1-N 3.01Å; H120-S244 VanDerWaalsContact ND1-N 3.19Å; H120-S244 PolarHBondContact ND1-OG 2.77Å; G121-S244 WeakPolarHBondContact CA-OG 3.28Å; G121-S244 PolarHBondContact N-OG 3.19Å; Y242-S244 WeakPolarHBondContact CE1-OG 3.13Å
245K89.7Confident96.9Very high77 Ų7745.5 Ų45.534%0.33525%0.251SS..EExtended strand (participates in β ladder)trans-113.9131.5-175.9-57.7179.2178.8176.70110.9I84 D85 I247 N321I84-K245 WeakPolarHBondContact CA-O 3.38Å; D85-K245 PolarHBondContact N-O 3.18Å; D85-K245 PolarHBondContact O-N 3.43Å; K245-I247 HydrophobicContact CB-CG2 3.49Å; K245-I247 VanDerWaalsContact CB-CG2 3.49Å; K245-I247 HydrophobicContact CD-CG2 4.42Å; K245-N321 PolarHBondContact NZ-OD1 3.04Å
246A96.7Very high96.3Very high28 Ų2850.9 Ų50.923%0.23128%0.278CS..EExtended strand (participates in β ladder)trans-88113.5160.600000107.9V82 A83 I84 V124 K128 Y129V82-A246 HydrophobicContact CG1-CB 4.32Å; A83-A246 CarbonylContact O-C 3.51Å; A83-A246 WeakPolarHBondContact O-CA 3.45Å; I84-A246 HydrophobicContact CD1-CB 3.58Å; V124-A246 HydrophobicContact CG1-CB 4.21Å; K128-A246 HydrophobicContact CD-CB 3.98Å; Y129-A246 HydrophobicContact CE2-CB 4.37Å
247I96.6Very high96Very high49 Ų4949.6 Ų49.625%0.25128%0.281SS..EExtended strand (participates in β ladder)trans-129166.2-168.260.4-174.2000111.6A83 D85 K245 P264A83-I247 HydrophobicContact CB-CG1 3.97Å; A83-I247 PolarHBondContact N-O 2.79Å; A83-I247 PolarHBondContact O-N 2.88Å; D85-I247 HydrophobicContact CB-CD1 3.96Å; K245-I247 HydrophobicContact CB-CG2 3.49Å; K245-I247 VanDerWaalsContact CB-CG2 3.49Å; K245-I247 HydrophobicContact CD-CG2 4.42Å; I247-P264 HydrophobicContact CD1-CG 3.37Å; I247-P264 HydrophobicContact CG1-CG 4.03Å
248A97.4Very high95.9Very high77 Ų7745.3 Ų45.364%0.63626%0.262SS*.PPolyproline II helixtrans-60.2134.6171.400000109.8
249P98.1Very high95.8Very high29 Ų2945.8 Ų45.819%0.18826%0.264CS..PPolyproline II helixtrans-72.1167.2172.535.8-37.6000110.1C81 A83 E251 G262C81-P249 HydrophobicContact CB-CB 3.99Å; C81-P249 HydrophobicContact CB-CG 3.7Å; C81-P249 WeakPolarHBondContact O-CD 3.38Å; A83-P249 HydrophobicContact CB-CB 4.47Å; P249-E251 HydrophobicContact CG-CG 4.04Å; P249-G262 CarbonylContact C-O 3.58Å; P249-G262 WeakPolarHBondContact CA-O 3.43Å; P249-G262 WeakPolarHBondContact CB-O 3.41Å
250V97.9Very high95.8Very high16 Ų1645.8 Ų45.810%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-89.9139.6157.8-76.20000108.8C261 G262 P263 P264 M273 V330 L334V250-C261 VanDerWaalsContact O-CA 3.25Å; V250-C261 WeakPolarHBondContact O-CA 3.16Å; V250-G262 VanDerWaalsContact CG2-O 3.23Å; V250-G262 WeakPolarHBondContact CG2-O 3.31Å; V250-G262 PolarHBondContact N-O 2.95Å; V250-G262 PolarHBondContact O-N 2.99Å; V250-P263 WeakPolarHBondContact CG2-O 3.44Å; V250-P264 HydrophobicContact CG1-CB 3.91Å; V250-M273 HydrophobicContact CB-CE 3.9Å; V250-M273 HydrophobicContact CG2-CE 3.3Å; V250-V330 HydrophobicContact CB-CG1 4.44Å; V250-V330 HydrophobicContact CG1-CG1 3.6Å; V250-L334 HydrophobicContact CB-CD1 3.96Å; V250-L334 HydrophobicContact CG1-CD1 4.48Å
251E97.4Very high95.8Very high78 Ų7841 Ų4136%0.36425%0.246SC..EExtended strand (participates in β ladder)trans-133.7146-177.7-60.4-170.8156.500111P249 M259 A260 C261P249-E251 HydrophobicContact CG-CG 4.04Å; E251-M259 HydrophobicContact CB-CE 4.37Å; E251-A260 CarbonylContact C-O 3.57Å; E251-A260 VanDerWaalsContact CA-O 3.28Å; E251-A260 WeakPolarHBondContact CA-O 3.08Å; E251-C261 HydrophobicContact CG-CB 3.8Å
252V97.3Very high95.9Very high10 Ų1036.2 Ų36.26%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-146.7146.1174.167.10000111I254 M259 A260 M273 N277 L334V252-I254 HydrophobicContact CG1-CG2 3.71Å; V252-M259 WeakPolarHBondContact O-CA 3.22Å; V252-A260 HydrophobicContact CG1-CB 4.22Å; V252-A260 PolarHBondContact N-O 2.82Å; V252-A260 PolarHBondContact O-N 2.8Å; V252-M273 HydrophobicContact CG1-CB 3.71Å; V252-M273 HydrophobicContact CG1-CG 4.12Å; V252-M273 HydrophobicContact CG1-SD 3.97Å; V252-N277 HydrophobicContact CG2-CB 4.01Å; V252-L334 HydrophobicContact CB-CB 4.29Å; V252-L334 HydrophobicContact CB-CD2 4.2Å; V252-L334 HydrophobicContact CG1-CD2 4.28Å; V252-L334 HydrophobicContact CG2-CB 4.26Å; V252-L334 HydrophobicContact CG2-CD2 4.5Å; V252-L334 WeakPolarHBondContact CG2-O 3.48Å
253S95.7Very high95.8Very high39 Ų3936 Ų3627%0.27322%0.22SC..EExtended strand (participates in β ladder)trans-82.5116.1168.4177.10000109.1S255 I258S253-S255 PolarHBondContact OG-O 3.33Å; S253-S255 VanDerWaalsContact OG-O 3.14Å; S253-I258 WeakPolarHBondContact CA-O 3.38Å
254I95Very high95.8Very high0 Ų032.7 Ų32.70%020%0.2CC..EExtended strand (participates in β ladder)trans-102.1-10-178.662.3168.1000112.9V252 I258 A260 L276 S280 I445 L477 W478V252-I254 HydrophobicContact CG1-CG2 3.71Å; I254-I258 HydrophobicContact CD1-CG2 4.05Å; I254-I258 HydrophobicContact CG1-CB 4.33Å; I254-I258 HydrophobicContact CG1-CG2 3.82Å; I254-I258 PolarHBondContact N-O 2.93Å; I254-A260 HydrophobicContact CD1-CB 4.28Å; I254-A260 HydrophobicContact CG2-CB 3.94Å; I254-L276 HydrophobicContact CB-CB 4.4Å; I254-L276 HydrophobicContact CD1-CD1 4.42Å; I254-L276 HydrophobicContact CG2-CB 3.87Å; I254-S280 WeakPolarHBondContact O-CB 3.44Å; I254-I445 HydrophobicContact CD1-CD1 3.88Å; I254-I445 HydrophobicContact CD1-CG1 4.49Å; I254-I445 HydrophobicContact CD1-CG2 3.88Å; I254-L477 HydrophobicContact CD1-CD1 3.69Å; I254-W478 HydrophobicContact CB-CZ2 4.38Å; I254-W478 WeakPolarHBondContact O-CZ2 3.41Å
255S88.6Confident95.8Very high36 Ų3632.5 Ų32.525%0.25220%0.198SC..EExtended strand (participates in β ladder)trans-160.3169.4169.4-59.40000107.6S253 G257 I258 W478S253-S255 PolarHBondContact OG-O 3.33Å; S253-S255 VanDerWaalsContact OG-O 3.14Å; S255-G257 PolarHBondContact O-N 2.93Å; S255-I258 PolarHBondContact O-N 2.9Å; S255-W478 PolarHBondContact OG-NE1 3.23Å
256D86.4Confident96.1Very high157 Ų15728.9 Ų28.984%0.8418%0.183SC*.THydrogen-bonded Turntrans-57.5116.2176.4-70.7-22.8000110.5I258D256-I258 VanDerWaalsContact C-N 3.26Å; D256-I258 PolarHBondContact O-N 3.01Å
257G92.5Very high96.1Very high36 Ų3627.5 Ų27.537%0.37117%0.171SC..THydrogen-bonded Turntrans79-9.3-177.600000116S255 K448S255-G257 PolarHBondContact O-N 2.93Å; G257-K448 WeakPolarHBondContact O-CB 3.3Å; G257-K448 PolarHBondContact O-N 3.41Å
258I96.3Very high96.1Very high22 Ų2225.2 Ų25.211%0.11316%0.16CC..EExtended strand (participates in β ladder)trans-101.8124.9-178.3-53.8-58.7000110.9S253 I254 S255 D256 I445 D447 R454S253-I258 WeakPolarHBondContact CA-O 3.38Å; I254-I258 HydrophobicContact CD1-CG2 4.05Å; I254-I258 HydrophobicContact CG1-CB 4.33Å; I254-I258 HydrophobicContact CG1-CG2 3.82Å; I254-I258 PolarHBondContact N-O 2.93Å; S255-I258 PolarHBondContact O-N 2.9Å; D256-I258 VanDerWaalsContact C-N 3.26Å; D256-I258 PolarHBondContact O-N 3.01Å; I258-I445 HydrophobicContact CG2-CG2 3.36Å; I258-D447 HydrophobicContact CD1-CB 4.29Å; I258-R454 HydrophobicContact CD1-CG 4.38Å
259M97.9Very high96.1Very high21 Ų2121.5 Ų21.510%0.10313%0.129CC..EExtended strand (participates in β ladder)trans-110.3140.3-180-61.5-61.1-65.800110.3E251 V252 I445 Y446 K448E251-M259 HydrophobicContact CB-CE 4.37Å; V252-M259 WeakPolarHBondContact O-CA 3.22Å; M259-I445 CarbonylContact O-C 3.54Å; M259-I445 WeakPolarHBondContact O-CA 3.48Å; M259-I445 WeakPolarHBondContact O-CG2 3.19Å; M259-Y446 HydrophobicContact CB-CD1 4.09Å; M259-Y446 HydrophobicContact CB-CD2 4.31Å; M259-Y446 HydrophobicContact CB-CE1 3.56Å; M259-Y446 HydrophobicContact CB-CE2 3.84Å; M259-Y446 HydrophobicContact CB-CG 4.43Å; M259-Y446 VanDerWaalsContact CB-CZ 3.43Å; M259-Y446 HydrophobicContact CG-CE2 4.11Å; M259-Y446 PolarHBondContact N-O 3.3Å; M259-Y446 PolarHBondContact O-N 2.89Å; M259-K448 HydrophobicContact CG-CB 3.85Å; M259-K448 HydrophobicContact CG-CD 4.07Å; M259-K448 HydrophobicContact CG-CG 4.14Å; M259-K448 HydrophobicContact SD-CD 4.1Å
260A98.5Very high96.1Very high0 Ų020.1 Ų20.10%012%0.12CC..EExtended strand (participates in β ladder)trans-111.9141165.900000109.1E251 V252 I254 M273 I443 V444 I445E251-A260 CarbonylContact C-O 3.57Å; E251-A260 VanDerWaalsContact CA-O 3.28Å; E251-A260 WeakPolarHBondContact CA-O 3.08Å; V252-A260 HydrophobicContact CG1-CB 4.22Å; V252-A260 PolarHBondContact N-O 2.82Å; V252-A260 PolarHBondContact O-N 2.8Å; I254-A260 HydrophobicContact CD1-CB 4.28Å; I254-A260 HydrophobicContact CG2-CB 3.94Å; A260-M273 HydrophobicContact CB-CG 4.13Å; A260-M273 HydrophobicContact CB-SD 3.86Å; A260-I443 HydrophobicContact CB-CG2 4.2Å; A260-V444 WeakPolarHBondContact CA-O 3.35Å; A260-I445 HydrophobicContact CB-CG1 4.05Å
261C98.6Very high96.1Very high0 Ų019.4 Ų19.40%012%0.116CC..EExtended strand (participates in β ladder)trans-135149.5175.272.10000111.6C81 V250 E251 I443 V444 Y446C81-C261 HydrophobicContact CB-CB 3.56Å; C81-C261 WeakPolarHBondContact CB-SG 3.33Å; C81-C261 WeakPolarHBondContact SG-CB 3.47Å; C81-C261 CovalentContact SG-SG 2.02Å; C81-C261 PolarHBondContact SG-SG 2.98Å; V250-C261 VanDerWaalsContact O-CA 3.25Å; V250-C261 WeakPolarHBondContact O-CA 3.16Å; E251-C261 HydrophobicContact CG-CB 3.8Å; C261-I443 WeakPolarHBondContact O-CA 3.47Å; C261-V444 PolarHBondContact N-O 3.05Å; C261-V444 PolarHBondContact O-N 3.2Å; C261-Y446 HydrophobicContact CB-CE1 4.35Å
262G98.5Very high96.1Very high0 Ų015.7 Ų15.70%010%0.098CC..EExtended strand (participates in β ladder)trans-161.8177.517800000113P249 V250P249-G262 CarbonylContact C-O 3.58Å; P249-G262 WeakPolarHBondContact CA-O 3.43Å; P249-G262 WeakPolarHBondContact CB-O 3.41Å; V250-G262 VanDerWaalsContact CG2-O 3.23Å; V250-G262 WeakPolarHBondContact CG2-O 3.31Å; V250-G262 PolarHBondContact N-O 2.95Å; V250-G262 PolarHBondContact O-N 2.99Å
263P98.3Very high96.1Very high1 Ų115.2 Ų15.21%0.00610%0.095CC..PPolyproline II helixtrans-67.3141.5176.34.51.8000112.1F70 A83 V250 P442F70-P263 HydrophobicContact CB-CB 4.21Å; F70-P263 HydrophobicContact CB-CG 3.7Å; F70-P263 HydrophobicContact CD1-CB 4.03Å; F70-P263 HydrophobicContact CD1-CG 4.44Å; F70-P263 HydrophobicContact CG-CB 4.36Å; F70-P263 HydrophobicContact CG-CG 4.28Å; A83-P263 HydrophobicContact CB-CB 3.99Å; V250-P263 WeakPolarHBondContact CG2-O 3.44Å; P263-P442 VanDerWaalsContact CD-O 3.25Å; P263-P442 WeakPolarHBondContact CD-O 3.44Å; P263-P442 HydrophobicContact CG-CG 3.66Å
264P97.5Very high96.2Very high5 Ų513.4 Ų13.43%0.0328%0.083CC..PPolyproline II helixtrans-68.4171.7171.631-35.7000111.4I247 V250 S267 F327I247-P264 HydrophobicContact CD1-CG 3.37Å; I247-P264 HydrophobicContact CG1-CG 4.03Å; V250-P264 HydrophobicContact CG1-CB 3.91Å; P264-S267 WeakPolarHBondContact O-CB 3.49Å; P264-S267 PolarHBondContact O-N 3Å; P264-S267 VanDerWaalsContact O-N 3.13Å; P264-F327 HydrophobicContact CB-CE1 4.04Å
265P97Very high96.4Very high2 Ų213.4 Ų13.41%0.0138%0.083CC..THydrogen-bonded Turntrans-47.1140.2167.6-29.437.7000112.1S267 L317 G318 P320 I326 V330P265-S267 VanDerWaalsContact CA-N 3.32Å; P265-S267 WeakPolarHBondContact CA-O 3.45Å; P265-L317 HydrophobicContact CG-CD1 4.19Å; P265-L317 HydrophobicContact CG-CD2 4.25Å; P265-G318 WeakPolarHBondContact CB-O 3.21Å; P265-P320 VanDerWaalsContact O-CD 3.24Å; P265-P320 WeakPolarHBondContact O-CD 3.46Å; P265-P320 VanDerWaalsContact O-CG 3.31Å; P265-P320 WeakPolarHBondContact O-CG 3.43Å; P265-I326 HydrophobicContact CB-CG2 3.82Å; P265-I326 HydrophobicContact CG-CG2 3.83Å; P265-V330 HydrophobicContact CG-CG2 3.52Å
266P96.4Very high96.8Very high0 Ų011.7 Ų11.70%07%0.071CC..THydrogen-bonded Turncis-84.78.517.123.4-17.8000116F70 R435 S438F70-P266 HydrophobicContact CZ-CG 4.01Å; P266-R435 HydrophobicContact CG-CB 3.7Å; P266-S438 PolarHBondContact O-N 3.43Å
267S96.6Very high97.4Very high0 Ų04.4 Ų4.40%03%0.032CC..SBendtrans-67.4154.9164.71720000111.9P264 P265 A269 M440P264-S267 WeakPolarHBondContact O-CB 3.49Å; P264-S267 PolarHBondContact O-N 3Å; P264-S267 VanDerWaalsContact O-N 3.13Å; P265-S267 VanDerWaalsContact CA-N 3.32Å; P265-S267 WeakPolarHBondContact CA-O 3.45Å; S267-A269 PolarHBondContact OG-N 3.44Å; S267-M440 PolarHBondContact OG-O 2.55Å
268S96.5Very high97.6Very high0 Ų02.8 Ų2.80%02%0.015CC..SBendtrans-97.915.6175.7-64.90000114.3A270 I271 H314 S438 M440 I466S268-A270 PolarHBondContact O-N 3.19Å; S268-I271 WeakPolarHBondContact O-CB 3.49Å; S268-I271 PolarHBondContact O-N 3.33Å; S268-H314 PolarHBondContact OG-CD2 3.46Å; S268-H314 VanDerWaalsContact OG-CD2 3.32Å; S268-H314 PolarHBondContact OG-NE2 2.94Å; S268-S438 WeakPolarHBondContact CB-O 3.34Å; S268-S438 PolarHBondContact N-O 2.91Å; S268-S438 PolarHBondContact OG-O 2.81Å; S268-M440 PolarHBondContact N-O 3.49Å; S268-I466 VanDerWaalsContact CB-CD1 3.44Å
269A97.9Very high97.7Very high0 Ų01.7 Ų1.70%01%0.009CC..Hα-helixtrans-56-36.9179.200000113.4S267 I271 A272 M273 T441 I443S267-A269 PolarHBondContact OG-N 3.44Å; A269-I271 PolarHBondContact O-N 3.49Å; A269-A272 PolarHBondContact O-N 3.38Å; A269-M273 HydrophobicContact CB-CE 4.4Å; A269-M273 WeakPolarHBondContact O-CB 3.37Å; A269-M273 VanDerWaalsContact O-CG 3.31Å; A269-M273 WeakPolarHBondContact O-CG 3.44Å; A269-M273 PolarHBondContact O-N 3.27Å; A269-T441 HydrophobicContact CB-CG2 4.19Å; A269-I443 HydrophobicContact CB-CG1 4.34Å
270A97.7Very high97.6Very high0 Ų01.7 Ų1.70%01%0.011CC..Hα-helixtrans-57.2-31.6174.100000113.5S268 A274 V330 L333 L334S268-A270 PolarHBondContact O-N 3.19Å; A270-A274 VanDerWaalsContact O-CB 3.31Å; A270-A274 WeakPolarHBondContact O-CB 3.37Å; A270-A274 PolarHBondContact O-N 3.15Å; A270-V330 HydrophobicContact CB-CG1 3.79Å; A270-V330 HydrophobicContact CB-CG2 4.31Å; A270-L333 HydrophobicContact CB-CD2 4.42Å; A270-L334 HydrophobicContact CB-CD1 4.39Å; A270-L334 WeakPolarHBondContact O-CD2 3.29Å
271I97Very high97.4Very high0 Ų03.4 Ų3.40%03%0.029CC..Hα-helixtrans-73.1-47.3179.7-53.3-49.1000110.9S268 A269 M273 A274 I275 H314 L317 L333 I466S268-I271 WeakPolarHBondContact O-CB 3.49Å; S268-I271 PolarHBondContact O-N 3.33Å; A269-I271 PolarHBondContact O-N 3.49Å; I271-M273 VanDerWaalsContact C-N 3.27Å; I271-M273 PolarHBondContact O-N 2.71Å; I271-A274 WeakPolarHBondContact O-CB 3.37Å; I271-A274 PolarHBondContact O-N 3.04Å; I271-A274 VanDerWaalsContact O-N 3.16Å; I271-I275 WeakPolarHBondContact O-CG1 3.5Å; I271-I275 PolarHBondContact O-N 3.2Å; I271-H314 HydrophobicContact CD1-CB 3.88Å; I271-H314 HydrophobicContact CG1-CB 3.87Å; I271-L317 HydrophobicContact CD1-CD1 3.6Å; I271-L317 HydrophobicContact CD1-CG 4.49Å; I271-L317 HydrophobicContact CG1-CD1 4.06Å; I271-L333 HydrophobicContact CD1-CD2 3.47Å; I271-L333 VanDerWaalsContact CD1-CD2 3.47Å; I271-I466 HydrophobicContact CB-CD1 4.34Å; I271-I466 HydrophobicContact CB-CG2 3.82Å; I271-I466 HydrophobicContact CG2-CD1 4.37Å; I271-I466 HydrophobicContact CG2-CG2 3.62Å
272A97.9Very high97.3Very high0 Ų05 Ų50%04%0.035CC..Hα-helixtrans-63-39.517700000111.2A269 A274 I275 L276 T441 I443 I466 A470A269-A272 PolarHBondContact O-N 3.38Å; A272-A274 VanDerWaalsContact C-N 3.34Å; A272-I275 WeakPolarHBondContact O-CB 3.46Å; A272-I275 PolarHBondContact O-N 2.69Å; A272-L276 WeakPolarHBondContact O-CG 3.45Å; A272-L276 PolarHBondContact O-N 2.78Å; A272-T441 HydrophobicContact CB-CG2 3.37Å; A272-I443 HydrophobicContact CB-CD1 3.87Å; A272-I466 HydrophobicContact CB-CG2 3.92Å; A272-A470 HydrophobicContact CB-CB 4.22Å
273M98.3Very high97.1Very high0 Ų010.8 Ų10.80%07%0.066CC..Hα-helixtrans-65.4-34.8174.6-74.1-165.4-60.300112.9V250 V252 A260 A269 I271 L276 N277 L334 I443V250-M273 HydrophobicContact CB-CE 3.9Å; V250-M273 HydrophobicContact CG2-CE 3.3Å; V252-M273 HydrophobicContact CG1-CB 3.71Å; V252-M273 HydrophobicContact CG1-CG 4.12Å; V252-M273 HydrophobicContact CG1-SD 3.97Å; A260-M273 HydrophobicContact CB-CG 4.13Å; A260-M273 HydrophobicContact CB-SD 3.86Å; A269-M273 HydrophobicContact CB-CE 4.4Å; A269-M273 WeakPolarHBondContact O-CB 3.37Å; A269-M273 VanDerWaalsContact O-CG 3.31Å; A269-M273 WeakPolarHBondContact O-CG 3.44Å; A269-M273 PolarHBondContact O-N 3.27Å; I271-M273 VanDerWaalsContact C-N 3.27Å; I271-M273 PolarHBondContact O-N 2.71Å; M273-L276 PolarHBondContact O-N 3.32Å; M273-N277 VanDerWaalsContact O-CB 3.32Å; M273-N277 WeakPolarHBondContact O-CB 3.26Å; M273-N277 PolarHBondContact O-N 2.55Å; M273-L334 HydrophobicContact CB-CD2 3.74Å; M273-L334 HydrophobicContact CE-CD1 4.19Å; M273-I443 HydrophobicContact CG-CD1 3.77Å; M273-I443 HydrophobicContact CG-CG1 4.44Å
274A97.8Very high97Very high1 Ų111.3 Ų11.31%0.0087%0.068CC..Hα-helixtrans-64.9-42.8172.500000112A270 I271 A272 L276 N277 I278 L333 L334A270-A274 VanDerWaalsContact O-CB 3.31Å; A270-A274 WeakPolarHBondContact O-CB 3.37Å; A270-A274 PolarHBondContact O-N 3.15Å; I271-A274 WeakPolarHBondContact O-CB 3.37Å; I271-A274 PolarHBondContact O-N 3.04Å; I271-A274 VanDerWaalsContact O-N 3.16Å; A272-A274 VanDerWaalsContact C-N 3.34Å; A274-L276 VanDerWaalsContact C-N 3.32Å; A274-L276 PolarHBondContact O-N 3.2Å; A274-N277 PolarHBondContact O-N 3.39Å; A274-I278 WeakPolarHBondContact O-CD1 3.36Å; A274-I278 VanDerWaalsContact O-CG1 3.31Å; A274-I278 WeakPolarHBondContact O-CG1 3.4Å; A274-I278 PolarHBondContact O-N 2.94Å; A274-L333 HydrophobicContact CB-CD1 3.59Å; A274-L333 HydrophobicContact CB-CD2 4.09Å; A274-L333 HydrophobicContact CB-CG 3.63Å; A274-L334 HydrophobicContact CB-CD2 4.43Å
275I98.2Very high96.9Very high0 Ų014.1 Ų14.10%09%0.086CC..Hα-helixtrans-56.6-49173.8-63.1167.4000109.6I271 A272 N277 I278 M279 F303 A306 M307 S310 I466 A470I271-I275 WeakPolarHBondContact O-CG1 3.5Å; I271-I275 PolarHBondContact O-N 3.2Å; A272-I275 WeakPolarHBondContact O-CB 3.46Å; A272-I275 PolarHBondContact O-N 2.69Å; I275-N277 PolarHBondContact O-N 2.85Å; I275-I278 PolarHBondContact O-N 3.12Å; I275-M279 VanDerWaalsContact O-CG 3.32Å; I275-M279 WeakPolarHBondContact O-CG 3.49Å; I275-M279 PolarHBondContact O-N 3.23Å; I275-F303 HydrophobicContact CG2-CD2 3.91Å; I275-F303 HydrophobicContact CG2-CE2 3.41Å; I275-F303 VanDerWaalsContact CG2-CE2 3.41Å; I275-F303 HydrophobicContact CG2-CZ 4.25Å; I275-A306 HydrophobicContact CG2-CB 4.14Å; I275-M307 HydrophobicContact CD1-CB 4.4Å; I275-M307 HydrophobicContact CD1-CG 4.11Å; I275-S310 VanDerWaalsContact CG1-OG 3.31Å; I275-S310 WeakPolarHBondContact CG1-OG 3.5Å; I275-I466 HydrophobicContact CD1-CG2 4.12Å; I275-A470 HydrophobicContact CB-CB 4.1Å; I275-A470 HydrophobicContact CD1-CB 4.22Å; I275-A470 HydrophobicContact CG2-CB 3.95Å
276L98.1Very high96.8Very high1 Ų115.8 Ų15.81%0.00510%0.1CC..Hα-helixtrans-61.5-43.2177.2-66.8173.4000111.9I254 A272 M273 A274 I278 M279 S280 A470 A473 M474 W478I254-L276 HydrophobicContact CB-CB 4.4Å; I254-L276 HydrophobicContact CD1-CD1 4.42Å; I254-L276 HydrophobicContact CG2-CB 3.87Å; A272-L276 WeakPolarHBondContact O-CG 3.45Å; A272-L276 PolarHBondContact O-N 2.78Å; M273-L276 PolarHBondContact O-N 3.32Å; A274-L276 VanDerWaalsContact C-N 3.32Å; A274-L276 PolarHBondContact O-N 3.2Å; L276-I278 VanDerWaalsContact C-N 3.32Å; L276-I278 PolarHBondContact O-N 2.93Å; L276-M279 PolarHBondContact O-N 2.89Å; L276-S280 WeakPolarHBondContact O-CB 3.47Å; L276-S280 PolarHBondContact O-N 2.93Å; L276-A470 WeakPolarHBondContact CD2-O 3.48Å; L276-A470 HydrophobicContact CG-CB 4.43Å; L276-A473 HydrophobicContact CD1-CB 4Å; L276-A473 HydrophobicContact CD2-CB 4.02Å; L276-M474 HydrophobicContact CD2-CB 4.29Å; L276-W478 HydrophobicContact CB-CH2 4.25Å; L276-W478 HydrophobicContact CD2-CH2 3.98Å; L276-W478 HydrophobicContact CD2-CZ3 4.28Å; L276-W478 VanDerWaalsContact O-CH2 3.31Å; L276-W478 WeakPolarHBondContact O-CH2 3.43Å
277N97.3Very high96.7Very high4 Ų420.2 Ų20.22%0.02114%0.136CC..Hα-helixtrans-67.3-30.1178.6-173.223.7000113.2V252 M273 A274 I275 S280 L334 S335 S339 R343V252-N277 HydrophobicContact CG2-CB 4.01Å; M273-N277 VanDerWaalsContact O-CB 3.32Å; M273-N277 WeakPolarHBondContact O-CB 3.26Å; M273-N277 PolarHBondContact O-N 2.55Å; A274-N277 PolarHBondContact O-N 3.39Å; I275-N277 PolarHBondContact O-N 2.85Å; N277-S280 PolarHBondContact O-OG 2.94Å; N277-L334 PolarHBondContact ND2-O 2.84Å; N277-S335 PolarHBondContact ND2-O 3.33Å; N277-S339 WeakPolarHBondContact O-CB 3.46Å; N277-S339 PolarHBondContact O-OG 3.48Å; N277-R343 PolarHBondContact O-NH1 3.08Å
278I97.7Very high96.7Very high1 Ų125 Ų251%0.00516%0.157CC..Hα-helixtrans-67.9-49.5169.9-68.8157.8000109.4A274 I275 L276 S280 G281 A306 F338 V342 R343 I346A274-I278 WeakPolarHBondContact O-CD1 3.36Å; A274-I278 VanDerWaalsContact O-CG1 3.31Å; A274-I278 WeakPolarHBondContact O-CG1 3.4Å; A274-I278 PolarHBondContact O-N 2.94Å; I275-I278 PolarHBondContact O-N 3.12Å; L276-I278 VanDerWaalsContact C-N 3.32Å; L276-I278 PolarHBondContact O-N 2.93Å; I278-S280 VanDerWaalsContact C-N 3.32Å; I278-S280 PolarHBondContact O-N 2.78Å; I278-G281 PolarHBondContact O-N 3.47Å; I278-A306 HydrophobicContact CB-CB 4.07Å; I278-A306 HydrophobicContact CD1-CB 4.3Å; I278-A306 HydrophobicContact CG2-CB 3.68Å; I278-F338 HydrophobicContact CD1-CE1 4.29Å; I278-V342 HydrophobicContact CD1-CB 4.27Å; I278-V342 HydrophobicContact CD1-CG1 3.74Å; I278-V342 HydrophobicContact CD1-CG2 4.48Å; I278-V342 HydrophobicContact CG1-CB 4.22Å; I278-V342 HydrophobicContact CG1-CG1 3.98Å; I278-V342 HydrophobicContact CG2-CG1 3.99Å; I278-R343 HydrophobicContact CG2-CG 4.05Å; I278-R343 VanDerWaalsContact O-CD 3.3Å; I278-R343 WeakPolarHBondContact O-CD 3.26Å; I278-R343 PolarHBondContact O-NH1 3.11Å; I278-I346 HydrophobicContact CG2-CD1 3.91Å
279M97.7Very high96.7Very high0 Ų025.5 Ų25.50%016%0.159CC..Hα-helixtrans-67.8-29.8-175.7-68.6-55.7-64.300113.9I275 L276 G281 Y282 L284 R302 F303 A306 M474 W478I275-M279 VanDerWaalsContact O-CG 3.32Å; I275-M279 WeakPolarHBondContact O-CG 3.49Å; I275-M279 PolarHBondContact O-N 3.23Å; L276-M279 PolarHBondContact O-N 2.89Å; M279-G281 PolarHBondContact O-N 3.12Å; M279-Y282 HydrophobicContact CE-CD2 4.13Å; M279-Y282 PolarHBondContact O-N 3.38Å; M279-Y282 HydrophobicContact SD-CD2 4.09Å; M279-Y282 HydrophobicContact SD-CE2 4.1Å; M279-L284 HydrophobicContact CE-CD1 3.82Å; M279-R302 HydrophobicContact CE-CB 4.09Å; M279-R302 HydrophobicContact SD-CB 4.19Å; M279-F303 HydrophobicContact CE-CB 4.13Å; M279-F303 HydrophobicContact CG-CD2 3.92Å; M279-F303 HydrophobicContact SD-CB 4.28Å; M279-F303 HydrophobicContact SD-CD2 4.3Å; M279-A306 HydrophobicContact CG-CB 4.22Å; M279-A306 HydrophobicContact SD-CB 3.98Å; M279-M474 HydrophobicContact CE-SD 4.01Å; M279-W478 HydrophobicContact CB-CH2 4.06Å; M279-W478 HydrophobicContact CB-CZ3 3.58Å
280S96Very high96.6Very high21 Ų2127.4 Ų27.415%0.14717%0.169CC..Hα-helixtrans-55.4-36.6-179.968.70000113.2I254 L276 N277 I278 Y282 N283I254-S280 WeakPolarHBondContact O-CB 3.44Å; L276-S280 WeakPolarHBondContact O-CB 3.47Å; L276-S280 PolarHBondContact O-N 2.93Å; N277-S280 PolarHBondContact O-OG 2.94Å; I278-S280 VanDerWaalsContact C-N 3.32Å; I278-S280 PolarHBondContact O-N 2.78Å; S280-Y282 PolarHBondContact O-N 3.05Å; S280-Y282 VanDerWaalsContact O-N 3.13Å; S280-N283 PolarHBondContact O-N 3.31Å; S280-N283 PolarHBondContact O-OD1 3.19Å
281G95.1Very high96.4Very high35 Ų3530.5 Ų30.536%0.36119%0.194SC..THydrogen-bonded Turntrans-68-9.9-179.200000114.9I278 M279 N283I278-G281 PolarHBondContact O-N 3.47Å; M279-G281 PolarHBondContact O-N 3.12Å; G281-N283 VanDerWaalsContact C-N 3.32Å
282Y95.6Very high96.3Very high34 Ų3434.3 Ų34.313%0.13322%0.218CC..THydrogen-bonded Turntrans-85.3-5172.2-62.8-67000113.2M279 S280 L284 K288 R302 R343M279-Y282 HydrophobicContact CE-CD2 4.13Å; M279-Y282 PolarHBondContact O-N 3.38Å; M279-Y282 HydrophobicContact SD-CD2 4.09Å; M279-Y282 HydrophobicContact SD-CE2 4.1Å; S280-Y282 PolarHBondContact O-N 3.05Å; S280-Y282 VanDerWaalsContact O-N 3.13Å; Y282-L284 PolarHBondContact O-N 2.82Å; Y282-K288 PolarHBondContact O-NZ 2.84Å; Y282-R302 HydrophobicContact CE1-CG 4.43Å; Y282-R302 HydrophobicContact CE2-CB 4.09Å; Y282-R302 HydrophobicContact CE2-CG 4.25Å; Y282-R343 HydrophobicContact CE2-CG 4.03Å
283N94.9Very high96.2Very high122 Ų12236 Ų3665%0.65223%0.232SC*.  trans47.457.6179.7-64.4-34.4000111.3S280 G281 K288S280-N283 PolarHBondContact O-N 3.31Å; S280-N283 PolarHBondContact O-OD1 3.19Å; G281-N283 VanDerWaalsContact C-N 3.32Å; N283-K288 PolarHBondContact O-NZ 3.21Å
284L95.5Very high96.1Very high11 Ų1141 Ų416%0.05826%0.255CS..  trans-64.8137.8-172-63.1-179.2000111.3M279 Y282 D289 T299 M474 W478 L479M279-L284 HydrophobicContact CE-CD1 3.82Å; Y282-L284 PolarHBondContact O-N 2.82Å; L284-D289 WeakPolarHBondContact CA-OD2 3.36Å; L284-D289 HydrophobicContact CD2-CB 4.11Å; L284-D289 VanDerWaalsContact CD2-CG 3.47Å; L284-T299 HydrophobicContact CD1-CG2 4.08Å; L284-T299 HydrophobicContact CD2-CG2 4.18Å; L284-M474 HydrophobicContact CD1-CG 4.03Å; L284-M474 HydrophobicContact CD1-SD 4.02Å; L284-W478 HydrophobicContact CB-CB 3.95Å; L284-W478 HydrophobicContact CB-CE3 4.5Å; L284-W478 HydrophobicContact CD1-CE3 3.91Å; L284-W478 HydrophobicContact CD1-CZ3 4.44Å; L284-L479 HydrophobicContact CB-CD2 4.36Å
285T95.5Very high96.1Very high65 Ų6542 Ų4240%0.39926%0.264SS..  trans-141.9144.4169.870.80000110.1A287 K288 D289T285-A287 PolarHBondContact O-N 3.47Å; T285-K288 PolarHBondContact O-N 3.06Å; T285-K288 VanDerWaalsContact O-N 3.11Å; T285-K288 WeakPolarHBondContact OG1-CB 3.39Å; T285-K288 PolarHBondContact OG1-N 2.9Å; T285-D289 PolarHBondContact N-OD2 3.05Å; T285-D289 WeakPolarHBondContact O-CB 3.04Å; T285-D289 PolarHBondContact O-N 3.3Å
286A94.5Very high96Very high37 Ų3742.9 Ų42.931%0.30627%0.268SS..Hα-helixtrans-54.1-42.7176.900000112.6K288 M290 L479A286-K288 PolarHBondContact O-N 2.9Å; A286-M290 WeakPolarHBondContact O-CA 3.36Å; A286-M290 WeakPolarHBondContact O-CB 3.35Å; A286-M290 PolarHBondContact O-N 3.32Å; A286-M290 VanDerWaalsContact O-N 3.08Å; A286-L479 WeakPolarHBondContact CB-O 3.23Å
287A95.7Very high95.9Very high92 Ų9242.8 Ų42.876%0.7627%0.267SS*.Hα-helixtrans-65.9-20.6-17800000114.4T285 A291T285-A287 PolarHBondContact O-N 3.47Å; A287-A291 WeakPolarHBondContact O-CB 3.35Å
288K96.4Very high96Very high102 Ų10244 Ų4444%0.44327%0.274SS..Hα-helixtrans-104.2-51.6179.2-176.6-171.171.2-174.60110.9Y282 N283 T285 A286Y282-K288 PolarHBondContact O-NZ 2.84Å; N283-K288 PolarHBondContact O-NZ 3.21Å; T285-K288 PolarHBondContact O-N 3.06Å; T285-K288 VanDerWaalsContact O-N 3.11Å; T285-K288 WeakPolarHBondContact OG1-CB 3.39Å; T285-K288 PolarHBondContact OG1-N 2.9Å; A286-K288 PolarHBondContact O-N 2.9Å
289D96.9Very high95.9Very high9 Ų944 Ų445%0.04827%0.273CS..Hα-helixtrans-92.2-14.7-165.7-59.5-73.1000113.2L284 T285 A295 E296 T299L284-D289 WeakPolarHBondContact CA-OD2 3.36Å; L284-D289 HydrophobicContact CD2-CB 4.11Å; L284-D289 VanDerWaalsContact CD2-CG 3.47Å; T285-D289 PolarHBondContact N-OD2 3.05Å; T285-D289 WeakPolarHBondContact O-CB 3.04Å; T285-D289 PolarHBondContact O-N 3.3Å; D289-A295 CarbonylContact O-C 3.16Å; D289-E296 VanDerWaalsContact O-CA 3.26Å; D289-E296 WeakPolarHBondContact O-CA 3.47Å; D289-E296 PolarHBondContact O-N 3.19Å; D289-E296 VanDerWaalsContact O-N 3.14Å; D289-T299 WeakPolarHBondContact CB-OG1 3.42Å
290M94.5Very high96Very high40 Ų4044 Ų4420%0.19727%0.273CS..SBendtrans-115.911.3176.2-53.2-61.5128.200112.5A286 E296 T299 L479A286-M290 WeakPolarHBondContact O-CA 3.36Å; A286-M290 WeakPolarHBondContact O-CB 3.35Å; A286-M290 PolarHBondContact O-N 3.32Å; A286-M290 VanDerWaalsContact O-N 3.08Å; M290-E296 HydrophobicContact SD-CB 4.15Å; M290-E296 HydrophobicContact SD-CG 3.77Å; M290-T299 HydrophobicContact CE-CG2 3.51Å; M290-L479 HydrophobicContact CE-CD1 3.63Å; M290-L479 HydrophobicContact CE-CD2 3.66Å; M290-L479 HydrophobicContact CE-CG 4.31Å; M290-L479 HydrophobicContact CG-CD1 4.15Å; M290-L479 HydrophobicContact CG-CD2 3.98Å; M290-L479 HydrophobicContact CG-CG 4.47Å; M290-L479 HydrophobicContact SD-CD1 3.91Å; M290-L479 HydrophobicContact SD-CD2 4.45Å
291A93.9Very high96.1Very high65 Ų6543 Ų4354%0.53727%0.266SS..SBendtrans-76.2-27.5-173.800000113.9A287A287-A291 WeakPolarHBondContact O-CB 3.35Å
292T95.5Very high96.2Very high81 Ų8143.9 Ų43.950%0.49726%0.259SS..SBendtrans-140.5156.8-179.570.20000110.1E294 A295 E296T292-E294 PolarHBondContact O-N 3.27Å; T292-A295 PolarHBondContact O-N 3.35Å; T292-A295 WeakPolarHBondContact OG1-CB 3.49Å; T292-A295 PolarHBondContact OG1-N 3.39Å; T292-E296 WeakPolarHBondContact O-CB 3.43Å; T292-E296 PolarHBondContact O-N 2.9Å
293A95.5Very high96.3Very high35 Ų3542.2 Ų42.229%0.28925%0.253SS..Hα-helixtrans-56.8-33.7176.600000112.8F5 T297 F511F5-A293 HydrophobicContact CD1-CB 3.64Å; F5-A293 HydrophobicContact CD2-CB 4.11Å; F5-A293 HydrophobicContact CE1-CB 3.7Å; F5-A293 HydrophobicContact CE2-CB 4.17Å; F5-A293 HydrophobicContact CG-CB 3.84Å; F5-A293 HydrophobicContact CZ-CB 3.97Å; A293-T297 VanDerWaalsContact O-CB 3.31Å; A293-T297 WeakPolarHBondContact O-CB 3.45Å; A293-T297 PolarHBondContact O-N 3.03Å; A293-T297 PolarHBondContact O-OG1 3.19Å; A293-F511 HydrophobicContact CB-CE1 4.3Å
294E96.1Very high96.5Very high104 Ų10436.4 Ų36.449%0.48622%0.221SC..Hα-helixtrans-70.8-46.1177.6-179.454.6-150.400112.1T292 E296 T297 L298 R518T292-E294 PolarHBondContact O-N 3.27Å; E294-E296 VanDerWaalsContact C-N 3.29Å; E294-E296 PolarHBondContact O-N 3.47Å; E294-T297 PolarHBondContact O-N 3Å; E294-L298 WeakPolarHBondContact O-CB 3.4Å; E294-L298 PolarHBondContact O-N 3.21Å; E294-R518 IonicContact OE1-CZ 3.21Å; E294-R518 IonicContact OE1-NH2 2.87Å; E294-R518 PolarHBondContact OE1-NH2 2.8Å
295A96.8Very high96.6Very high23 Ų2335.9 Ų35.919%0.1922%0.219CC..Hα-helixtrans-61.9-40.1177.500000111.6D289 T292 L298 T299D289-A295 CarbonylContact O-C 3.16Å; T292-A295 PolarHBondContact O-N 3.35Å; T292-A295 WeakPolarHBondContact OG1-CB 3.49Å; T292-A295 PolarHBondContact OG1-N 3.39Å; A295-L298 PolarHBondContact O-N 3.13Å; A295-T299 PolarHBondContact O-N 3.32Å; A295-T299 PolarHBondContact O-OG1 3Å
296E96.5Very high96.7Very high18 Ų1832.8 Ų32.88%0.08420%0.2CC..Hα-helixtrans-69.5-43.4178.1178.7165.9-167.900111.4W7 D289 M290 T292 E294 L298 T299 Y300 F511W7-E296 WeakPolarHBondContact CZ2-OE1 3.25Å; W7-E296 PolarHBondContact NE1-OE1 3.23Å; D289-E296 VanDerWaalsContact O-CA 3.26Å; D289-E296 WeakPolarHBondContact O-CA 3.47Å; D289-E296 PolarHBondContact O-N 3.19Å; D289-E296 VanDerWaalsContact O-N 3.14Å; M290-E296 HydrophobicContact SD-CB 4.15Å; M290-E296 HydrophobicContact SD-CG 3.77Å; T292-E296 WeakPolarHBondContact O-CB 3.43Å; T292-E296 PolarHBondContact O-N 2.9Å; E294-E296 VanDerWaalsContact C-N 3.29Å; E294-E296 PolarHBondContact O-N 3.47Å; E296-L298 VanDerWaalsContact C-N 3.32Å; E296-L298 PolarHBondContact O-N 2.75Å; E296-T299 WeakPolarHBondContact O-CB 3.38Å; E296-T299 PolarHBondContact O-N 3.1Å; E296-T299 VanDerWaalsContact O-N 3.15Å; E296-Y300 HydrophobicContact CG-CD2 3.93Å; E296-Y300 HydrophobicContact CG-CE2 3.24Å; E296-Y300 VanDerWaalsContact O-CD2 3.29Å; E296-Y300 WeakPolarHBondContact O-CD2 3.28Å; E296-Y300 PolarHBondContact O-N 3.18Å; E296-Y300 VanDerWaalsContact OE1-CE2 3.3Å; E296-Y300 WeakPolarHBondContact OE1-CE2 3.47Å; E296-Y300 PolarHBondContact OE1-OH 2.82Å; E296-F511 HydrophobicContact CB-CE1 3.81Å; E296-F511 HydrophobicContact CB-CZ 4.17Å; E296-F511 HydrophobicContact CG-CD1 4.37Å; E296-F511 HydrophobicContact CG-CE1 3.63Å; E296-F511 HydrophobicContact CG-CE2 4.48Å; E296-F511 HydrophobicContact CG-CZ 3.72Å; E296-F511 WeakPolarHBondContact OE2-CZ 3.32Å
297T97.4Very high96.8Very high0 Ų031 Ų310%019%0.185CC..Hα-helixtrans-55.4-47.9171.9-61.10000111A293 E294 T299 Y300 H301 F511 L515A293-T297 VanDerWaalsContact O-CB 3.31Å; A293-T297 WeakPolarHBondContact O-CB 3.45Å; A293-T297 PolarHBondContact O-N 3.03Å; A293-T297 PolarHBondContact O-OG1 3.19Å; E294-T297 PolarHBondContact O-N 3Å; T297-T299 VanDerWaalsContact C-N 3.27Å; T297-T299 PolarHBondContact O-N 2.92Å; T297-Y300 PolarHBondContact O-N 3.39Å; T297-H301 WeakPolarHBondContact O-CB 3.29Å; T297-H301 PolarHBondContact O-N 3.28Å; T297-F511 WeakPolarHBondContact OG1-CD1 3.21Å; T297-L515 HydrophobicContact CG2-CD2 4.12Å; T297-L515 HydrophobicContact CG2-CG 4.26Å
298L97.5Very high96.8Very high29 Ų2927.2 Ų27.215%0.15215%0.151CC..Hα-helixtrans-62.6-36.5180179.557.8000111.8E294 A295 E296 H301 R302E294-L298 WeakPolarHBondContact O-CB 3.4Å; E294-L298 PolarHBondContact O-N 3.21Å; A295-L298 PolarHBondContact O-N 3.13Å; E296-L298 VanDerWaalsContact C-N 3.32Å; E296-L298 PolarHBondContact O-N 2.75Å; L298-H301 PolarHBondContact O-N 2.04Å; L298-R302 HydrophobicContact CD1-CG 4.36Å; L298-R302 WeakPolarHBondContact O-CB 3.33Å; L298-R302 WeakPolarHBondContact O-CG 3.45Å; L298-R302 PolarHBondContact O-N 2.96Å
299T97.5Very high96.8Very high0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-64.4-46.8175.6-59.50000111.6L284 D289 M290 A295 E296 T297 R302 F303L284-T299 HydrophobicContact CD1-CG2 4.08Å; L284-T299 HydrophobicContact CD2-CG2 4.18Å; D289-T299 WeakPolarHBondContact CB-OG1 3.42Å; M290-T299 HydrophobicContact CE-CG2 3.51Å; A295-T299 PolarHBondContact O-N 3.32Å; A295-T299 PolarHBondContact O-OG1 3Å; E296-T299 WeakPolarHBondContact O-CB 3.38Å; E296-T299 PolarHBondContact O-N 3.1Å; E296-T299 VanDerWaalsContact O-N 3.15Å; T297-T299 VanDerWaalsContact C-N 3.27Å; T297-T299 PolarHBondContact O-N 2.92Å; T299-R302 PolarHBondContact O-N 3.35Å; T299-F303 WeakPolarHBondContact O-CB 3.46Å; T299-F303 PolarHBondContact O-N 2.86Å
300Y97.8Very high96.7Very high0 Ų022.4 Ų22.40%013%0.13CC..Hα-helixtrans-66.2-37.3176.3-64.5-44.4000112.7W7 E296 T297 F303 I304 Y471 R475 L492 F507W7-Y300 HydrophobicContact CH2-CE2 4.18Å; W7-Y300 AromaticContact CH2-CZ 3.78Å; W7-Y300 VanDerWaalsContact CH2-OH 3.26Å; W7-Y300 WeakPolarHBondContact CH2-OH 3.42Å; W7-Y300 AromaticContact CZ2-CE2 3.69Å; W7-Y300 HydrophobicContact CZ2-CE2 3.69Å; W7-Y300 AromaticContact CZ2-CZ 3.57Å; W7-Y300 WeakPolarHBondContact CZ2-OH 3.43Å; E296-Y300 HydrophobicContact CG-CD2 3.93Å; E296-Y300 HydrophobicContact CG-CE2 3.24Å; E296-Y300 VanDerWaalsContact O-CD2 3.29Å; E296-Y300 WeakPolarHBondContact O-CD2 3.28Å; E296-Y300 PolarHBondContact O-N 3.18Å; E296-Y300 VanDerWaalsContact OE1-CE2 3.3Å; E296-Y300 WeakPolarHBondContact OE1-CE2 3.47Å; E296-Y300 PolarHBondContact OE1-OH 2.82Å; T297-Y300 PolarHBondContact O-N 3.39Å; Y300-F303 PolarHBondContact O-N 3.07Å; Y300-I304 WeakPolarHBondContact O-CD1 3.48Å; Y300-I304 VanDerWaalsContact O-CG1 3.27Å; Y300-I304 WeakPolarHBondContact O-CG1 3.32Å; Y300-I304 PolarHBondContact O-N 3.4Å; Y300-Y471 HydrophobicContact CD1-CE2 4.18Å; Y300-Y471 AromaticContact CE1-CE2 3.87Å; Y300-Y471 HydrophobicContact CE1-CE2 3.87Å; Y300-R475 PolarHBondContact OH-NH1 3.31Å; Y300-L492 HydrophobicContact CD1-CD1 3.96Å; Y300-L492 HydrophobicContact CG-CD1 3.95Å; Y300-F507 HydrophobicContact CD2-CE1 4.48Å; Y300-F507 AromaticContact CD2-CZ 3.8Å; Y300-F507 HydrophobicContact CD2-CZ 3.8Å; Y300-F507 AromaticContact CE2-CZ 3.92Å; Y300-F507 HydrophobicContact CE2-CZ 3.92Å; Y300-F507 HydrophobicContact CG-CZ 4.17Å
301H98.3Very high96.6Very high0 Ų021 Ų210%012%0.122CC..Hα-helixtrans-57.8-53.3173.1177.370.8000110.9T297 L298 F303 I304 E305 N347 K349 L515 Q520T297-H301 WeakPolarHBondContact O-CB 3.29Å; T297-H301 PolarHBondContact O-N 3.28Å; L298-H301 PolarHBondContact O-N 2.04Å; H301-F303 VanDerWaalsContact C-N 3.26Å; H301-F303 PolarHBondContact O-N 3.36Å; H301-I304 PolarHBondContact O-N 3.08Å; H301-I304 VanDerWaalsContact O-N 3.15Å; H301-E305 WeakPolarHBondContact O-CG 3.16Å; H301-E305 PolarHBondContact O-N 3.23Å; H301-N347 PolarHBondContact CD2-O 3.14Å; H301-N347 PolarHBondContact NE2-O 3.43Å; H301-K349 VanDerWaalsContact CE1-C 3.45Å; H301-L515 HydrophobicContact CB-CD2 3.88Å; H301-Q520 PolarHBondContact CE1-NE2 3.27Å; H301-Q520 PolarHBondContact ND1-NE2 3.41Å
302R98.2Very high96.5Very high54 Ų5418.3 Ų18.320%0.20410%0.1CC..Hα-helixtrans-58.5-39.1177.1-73169.6175.9171.30.7112.2M279 Y282 L298 T299 E305 A306 I346M279-R302 HydrophobicContact CE-CB 4.09Å; M279-R302 HydrophobicContact SD-CB 4.19Å; Y282-R302 HydrophobicContact CE1-CG 4.43Å; Y282-R302 HydrophobicContact CE2-CB 4.09Å; Y282-R302 HydrophobicContact CE2-CG 4.25Å; L298-R302 HydrophobicContact CD1-CG 4.36Å; L298-R302 WeakPolarHBondContact O-CB 3.33Å; L298-R302 WeakPolarHBondContact O-CG 3.45Å; L298-R302 PolarHBondContact O-N 2.96Å; T299-R302 PolarHBondContact O-N 3.35Å; R302-E305 PolarHBondContact O-N 2.86Å; R302-A306 WeakPolarHBondContact O-CB 3.38Å; R302-A306 PolarHBondContact O-N 3.49Å; R302-I346 HydrophobicContact CG-CG2 4.1Å
303F98.2Very high96.1Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-64.1-45.2176.7-172.9-120000111.9I275 M279 T299 Y300 H301 E305 A306 M307 A470 Y471 M474I275-F303 HydrophobicContact CG2-CD2 3.91Å; I275-F303 HydrophobicContact CG2-CE2 3.41Å; I275-F303 VanDerWaalsContact CG2-CE2 3.41Å; I275-F303 HydrophobicContact CG2-CZ 4.25Å; M279-F303 HydrophobicContact CE-CB 4.13Å; M279-F303 HydrophobicContact CG-CD2 3.92Å; M279-F303 HydrophobicContact SD-CB 4.28Å; M279-F303 HydrophobicContact SD-CD2 4.3Å; T299-F303 WeakPolarHBondContact O-CB 3.46Å; T299-F303 PolarHBondContact O-N 2.86Å; Y300-F303 PolarHBondContact O-N 3.07Å; H301-F303 VanDerWaalsContact C-N 3.26Å; H301-F303 PolarHBondContact O-N 3.36Å; F303-E305 PolarHBondContact O-N 3.23Å; F303-A306 PolarHBondContact O-N 3Å; F303-M307 HydrophobicContact CD1-CE 3.29Å; F303-M307 HydrophobicContact CE1-CE 2.92Å; F303-M307 HydrophobicContact CE2-CE 4.49Å; F303-M307 HydrophobicContact CG-CE 4.19Å; F303-M307 HydrophobicContact CZ-CE 3.6Å; F303-M307 WeakPolarHBondContact O-CG 3.3Å; F303-M307 PolarHBondContact O-N 2.95Å; F303-A470 HydrophobicContact CE2-CB 4.22Å; F303-A470 HydrophobicContact CZ-CB 4.13Å; F303-Y471 AromaticContact CD1-CD2 3.76Å; F303-Y471 HydrophobicContact CD1-CD2 3.76Å; F303-Y471 HydrophobicContact CD1-CE2 4.36Å; F303-Y471 AromaticContact CE1-CD2 3.28Å; F303-Y471 HydrophobicContact CE1-CD2 3.28Å; F303-Y471 HydrophobicContact CE1-CE2 4.26Å; F303-Y471 AromaticContact CE1-CG 3.86Å; F303-Y471 HydrophobicContact CE1-CG 3.86Å; F303-Y471 AromaticContact CZ-CD2 3.99Å; F303-Y471 HydrophobicContact CZ-CD2 3.99Å; F303-Y471 HydrophobicContact CZ-CG 4.33Å; F303-M474 HydrophobicContact CB-SD 4.33Å; F303-M474 HydrophobicContact CD1-CE 4.42Å; F303-M474 HydrophobicContact CD2-CE 4.3Å; F303-M474 HydrophobicContact CD2-SD 3.6Å; F303-M474 HydrophobicContact CE2-SD 4.08Å; F303-M474 HydrophobicContact CG-CE 4.22Å; F303-M474 HydrophobicContact CG-SD 3.98Å
304I98.3Very high95.8Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-60.4-44.6174.4-68.6158.2000111Y300 H301 A306 M307 K308 L492 N494 T501 L515 Q520Y300-I304 WeakPolarHBondContact O-CD1 3.48Å; Y300-I304 VanDerWaalsContact O-CG1 3.27Å; Y300-I304 WeakPolarHBondContact O-CG1 3.32Å; Y300-I304 PolarHBondContact O-N 3.4Å; H301-I304 PolarHBondContact O-N 3.08Å; H301-I304 VanDerWaalsContact O-N 3.15Å; I304-A306 VanDerWaalsContact C-N 3.35Å; I304-A306 PolarHBondContact O-N 3.49Å; I304-M307 WeakPolarHBondContact O-CB 3.44Å; I304-M307 PolarHBondContact O-N 3.24Å; I304-M307 VanDerWaalsContact O-N 3.17Å; I304-K308 PolarHBondContact O-N 3.25Å; I304-L492 HydrophobicContact CD1-CD1 4.11Å; I304-L492 HydrophobicContact CG1-CD1 4.27Å; I304-N494 HydrophobicContact CG2-CB 4.07Å; I304-T501 HydrophobicContact CD1-CG2 3.78Å; I304-T501 HydrophobicContact CG1-CG2 3.97Å; I304-T501 HydrophobicContact CG2-CG2 4.29Å; I304-L515 HydrophobicContact CD1-CD1 4.12Å; I304-L515 HydrophobicContact CD1-CD2 4.1Å; I304-Q520 HydrophobicContact CD1-CG 4.34Å
305E98Very high95.2Very high0 Ų09 Ų90%05%0.048CC..Hα-helixtrans-63.9-40177.8-65.4-60.3110.300111.9H301 R302 F303 M307 K308 F309 I346 Y356 Q520H301-E305 WeakPolarHBondContact O-CG 3.16Å; H301-E305 PolarHBondContact O-N 3.23Å; R302-E305 PolarHBondContact O-N 2.86Å; F303-E305 PolarHBondContact O-N 3.23Å; E305-M307 VanDerWaalsContact C-N 3.3Å; E305-M307 PolarHBondContact O-N 2.98Å; E305-K308 PolarHBondContact O-N 3.38Å; E305-K308 WeakPolarHBondContact OE1-CE 3.31Å; E305-K308 IonicContact OE1-NZ 2.84Å; E305-K308 PolarHBondContact OE1-NZ 3.18Å; E305-F309 WeakPolarHBondContact O-CD2 3.46Å; E305-F309 PolarHBondContact O-N 3.05Å; E305-F309 VanDerWaalsContact O-N 3.11Å; E305-I346 HydrophobicContact CB-CD1 3.99Å; E305-I346 HydrophobicContact CB-CG1 3.91Å; E305-I346 HydrophobicContact CB-CG2 3.97Å; E305-I346 HydrophobicContact CG-CG2 4.24Å; E305-Y356 PolarHBondContact OE1-OH 3.41Å; E305-Y356 VanDerWaalsContact OE1-OH 3.12Å; E305-Y356 VanDerWaalsContact OE2-CE1 3.24Å; E305-Y356 WeakPolarHBondContact OE2-CE1 3.4Å; E305-Y356 VanDerWaalsContact OE2-CZ 3.3Å; E305-Y356 PolarHBondContact OE2-OH 3.22Å; E305-Q520 PolarHBondContact OE1-NE2 3.36Å
306A97.6Very high94.8Very high0 Ų012.5 Ų12.50%06%0.059CC..Hα-helixtrans-61.3-37.2173.300000112.3I275 I278 M279 R302 F303 I304 S310I275-A306 HydrophobicContact CG2-CB 4.14Å; I278-A306 HydrophobicContact CB-CB 4.07Å; I278-A306 HydrophobicContact CD1-CB 4.3Å; I278-A306 HydrophobicContact CG2-CB 3.68Å; M279-A306 HydrophobicContact CG-CB 4.22Å; M279-A306 HydrophobicContact SD-CB 3.98Å; R302-A306 WeakPolarHBondContact O-CB 3.38Å; R302-A306 PolarHBondContact O-N 3.49Å; F303-A306 PolarHBondContact O-N 3Å; I304-A306 VanDerWaalsContact C-N 3.35Å; I304-A306 PolarHBondContact O-N 3.49Å; A306-S310 WeakPolarHBondContact O-CB 3.44Å; A306-S310 PolarHBondContact O-N 3.35Å; A306-S310 VanDerWaalsContact O-N 3.1Å; A306-S310 PolarHBondContact O-OG 2.96Å
307M96.6Very high94.7Very high0 Ų011.6 Ų11.60%06%0.055CC..Hα-helixtrans-60.4-52.4171.8-60.2175.5-170.100110.9I275 F303 I304 E305 F309 S310 Y311 T467 L492 N494I275-M307 HydrophobicContact CD1-CB 4.4Å; I275-M307 HydrophobicContact CD1-CG 4.11Å; F303-M307 HydrophobicContact CD1-CE 3.29Å; F303-M307 HydrophobicContact CE1-CE 2.92Å; F303-M307 HydrophobicContact CE2-CE 4.49Å; F303-M307 HydrophobicContact CG-CE 4.19Å; F303-M307 HydrophobicContact CZ-CE 3.6Å; F303-M307 WeakPolarHBondContact O-CG 3.3Å; F303-M307 PolarHBondContact O-N 2.95Å; I304-M307 WeakPolarHBondContact O-CB 3.44Å; I304-M307 PolarHBondContact O-N 3.24Å; I304-M307 VanDerWaalsContact O-N 3.17Å; E305-M307 VanDerWaalsContact C-N 3.3Å; E305-M307 PolarHBondContact O-N 2.98Å; M307-F309 PolarHBondContact O-N 2.87Å; M307-S310 PolarHBondContact O-N 3.48Å; M307-Y311 HydrophobicContact CB-CD2 4.4Å; M307-Y311 WeakPolarHBondContact O-CD2 3.12Å; M307-Y311 PolarHBondContact O-N 2.9Å; M307-T467 HydrophobicContact CB-CG2 4.39Å; M307-T467 HydrophobicContact CE-CG2 4.04Å; M307-T467 HydrophobicContact CG-CG2 3.82Å; M307-T467 HydrophobicContact SD-CG2 3.43Å; M307-T467 WeakPolarHBondContact SD-CG2 3.33Å; M307-L492 HydrophobicContact CE-CB 4.41Å; M307-N494 WeakPolarHBondContact CB-O 3.41Å; M307-N494 HydrophobicContact SD-CB 4.2Å; M307-N494 PolarHBondContact SD-N 3.28Å; M307-N494 VanDerWaalsContact SD-N 3.37Å
308K95.9Very high94.5Very high11 Ų1111.6 Ų11.65%0.0486%0.055CC..Hα-helixtrans-55.2-48.8-177-70.3177-172.6169.40112I304 E305 S310 Y311 A312 Y356 N494 L496I304-K308 PolarHBondContact O-N 3.25Å; E305-K308 PolarHBondContact O-N 3.38Å; E305-K308 WeakPolarHBondContact OE1-CE 3.31Å; E305-K308 IonicContact OE1-NZ 2.84Å; E305-K308 PolarHBondContact OE1-NZ 3.18Å; K308-S310 VanDerWaalsContact C-N 3.34Å; K308-S310 PolarHBondContact O-N 2.76Å; K308-Y311 PolarHBondContact O-N 3.1Å; K308-A312 PolarHBondContact O-N 3.3Å; K308-Y356 HydrophobicContact CB-CD1 3.66Å; K308-Y356 HydrophobicContact CB-CD2 4.46Å; K308-Y356 HydrophobicContact CB-CE1 3.69Å; K308-Y356 HydrophobicContact CB-CE2 4.47Å; K308-Y356 HydrophobicContact CB-CG 4.07Å; K308-Y356 HydrophobicContact CD-CD1 4.44Å; K308-Y356 HydrophobicContact CD-CD2 4.46Å; K308-Y356 HydrophobicContact CD-CE1 3.75Å; K308-Y356 HydrophobicContact CD-CE2 3.76Å; K308-Y356 WeakPolarHBondContact CD-OH 3.25Å; K308-Y356 HydrophobicContact CG-CE1 4.4Å; K308-Y356 PolarHBondContact NZ-OH 3.25Å; K308-N494 WeakPolarHBondContact CE-ND2 3.5Å; K308-N494 HydrophobicContact CG-CB 4.45Å; K308-N494 WeakPolarHBondContact CG-OD1 3.36Å; K308-L496 HydrophobicContact CB-CD1 4.24Å; K308-L496 HydrophobicContact CG-CD1 4.47Å
309F95.2Very high94.5Very high11 Ų1110.3 Ų10.35%0.0485%0.048CC..Hα-helixtrans-62.2-39.1176.2-82.4-69000113.1E305 M307 A312 A313 V342 K345 I346 F355 Y356E305-F309 WeakPolarHBondContact O-CD2 3.46Å; E305-F309 PolarHBondContact O-N 3.05Å; E305-F309 VanDerWaalsContact O-N 3.11Å; M307-F309 PolarHBondContact O-N 2.87Å; F309-A312 WeakPolarHBondContact O-CB 3.41Å; F309-A313 PolarHBondContact O-N 3.11Å; F309-V342 HydrophobicContact CB-CG1 3.8Å; F309-V342 HydrophobicContact CB-CG2 4.21Å; F309-V342 HydrophobicContact CD1-CG1 4.33Å; F309-V342 HydrophobicContact CD1-CG2 4.2Å; F309-V342 HydrophobicContact CD2-CG1 3.51Å; F309-V342 HydrophobicContact CE2-CG1 4.14Å; F309-V342 HydrophobicContact CG-CG1 3.62Å; F309-V342 HydrophobicContact CG-CG2 4.16Å; F309-K345 HydrophobicContact CE1-CD 4Å; F309-K345 HydrophobicContact CE2-CB 4.3Å; F309-K345 HydrophobicContact CZ-CB 3.76Å; F309-K345 HydrophobicContact CZ-CD 3.98Å; F309-I346 HydrophobicContact CD2-CD1 4.4Å; F309-I346 HydrophobicContact CD2-CG1 4.11Å; F309-I346 HydrophobicContact CE2-CG1 3.87Å; F309-F355 HydrophobicContact CE2-CE1 4.18Å; F309-F355 AromaticContact CZ-CD1 3.95Å; F309-F355 HydrophobicContact CZ-CD1 3.95Å; F309-F355 AromaticContact CZ-CE1 3.56Å; F309-F355 HydrophobicContact CZ-CE1 3.56Å; F309-F355 HydrophobicContact CZ-CZ 4.46Å; F309-Y356 AromaticContact CD1-CD1 3.98Å; F309-Y356 HydrophobicContact CD1-CD1 3.98Å; F309-Y356 AromaticContact CD2-CD1 3.74Å; F309-Y356 HydrophobicContact CD2-CD1 3.74Å; F309-Y356 HydrophobicContact CD2-CE1 4.05Å; F309-Y356 AromaticContact CE1-CD1 3.87Å; F309-Y356 HydrophobicContact CE1-CD1 3.87Å; F309-Y356 AromaticContact CE2-CD1 3.64Å; F309-Y356 HydrophobicContact CE2-CD1 3.64Å; F309-Y356 AromaticContact CE2-CE1 3.76Å; F309-Y356 HydrophobicContact CE2-CE1 3.76Å; F309-Y356 AromaticContact CG-CD1 3.92Å; F309-Y356 HydrophobicContact CG-CD1 3.92Å; F309-Y356 AromaticContact CZ-CD1 3.7Å; F309-Y356 HydrophobicContact CZ-CD1 3.7Å; F309-Y356 HydrophobicContact CZ-CE1 4.12Å
310S95Very high94.4Very high0 Ų010.7 Ų10.70%05%0.051CC..Hα-helixtrans-72.6-35.9-179.6-54.80000112I275 A306 M307 K308 A313 H314I275-S310 VanDerWaalsContact CG1-OG 3.31Å; I275-S310 WeakPolarHBondContact CG1-OG 3.5Å; A306-S310 WeakPolarHBondContact O-CB 3.44Å; A306-S310 PolarHBondContact O-N 3.35Å; A306-S310 VanDerWaalsContact O-N 3.1Å; A306-S310 PolarHBondContact O-OG 2.96Å; M307-S310 PolarHBondContact O-N 3.48Å; K308-S310 VanDerWaalsContact C-N 3.34Å; K308-S310 PolarHBondContact O-N 2.76Å; S310-A313 WeakPolarHBondContact O-CB 3.4Å; S310-A313 PolarHBondContact O-N 2.65Å; S310-H314 PolarHBondContact O-N 3.45Å
311Y92.7Very high94.2Very high9 Ų914.7 Ų14.74%0.0357%0.072CC..Hα-helixtrans-71.9-30.8174.1-88.9-84.8000113.6M307 K308 A313 H314 S315 S463 I466 T467 N494 Q495M307-Y311 HydrophobicContact CB-CD2 4.4Å; M307-Y311 WeakPolarHBondContact O-CD2 3.12Å; M307-Y311 PolarHBondContact O-N 2.9Å; K308-Y311 PolarHBondContact O-N 3.1Å; Y311-A313 PolarHBondContact O-N 3.05Å; Y311-H314 HydrophobicContact CD1-CB 4.28Å; Y311-H314 WeakPolarHBondContact O-CB 3.5Å; Y311-H314 PolarHBondContact O-N 3.15Å; Y311-H314 VanDerWaalsContact O-N 3.16Å; Y311-S315 PolarHBondContact O-N 3.31Å; Y311-S463 PolarHBondContact OH-O 3.26Å; Y311-I466 HydrophobicContact CE1-CD1 3.86Å; Y311-I466 HydrophobicContact CE2-CG2 4.38Å; Y311-I466 WeakPolarHBondContact OH-CB 3.48Å; Y311-T467 HydrophobicContact CE2-CG2 3.6Å; Y311-N494 WeakPolarHBondContact CD2-O 3.28Å; Y311-N494 WeakPolarHBondContact CE2-O 3.37Å; Y311-Q495 HydrophobicContact CD1-CB 3.67Å; Y311-Q495 HydrophobicContact CD2-CB 4.25Å; Y311-Q495 HydrophobicContact CE1-CB 3.57Å; Y311-Q495 HydrophobicContact CE2-CB 4.17Å; Y311-Q495 HydrophobicContact CG-CB 3.99Å
312A91Very high94.1Very high9 Ų918.1 Ų18.17%0.0749%0.087CC..Hα-helixtrans-55.2-43.5168.100000110.5K308 F309 S315 Y356 L496K308-A312 PolarHBondContact O-N 3.3Å; F309-A312 WeakPolarHBondContact O-CB 3.41Å; A312-S315 PolarHBondContact O-OG 2.63Å; A312-Y356 WeakPolarHBondContact CB-O 3.43Å; A312-L496 HydrophobicContact CB-CD2 3.61Å
313A88.4Confident93.8Very high13 Ų1318.6 Ų18.611%0.1079%0.091CC..Hα-helixtrans-71.5-32.8176.600000113.6F309 S310 Y311 S315 K316 L333F309-A313 PolarHBondContact O-N 3.11Å; S310-A313 WeakPolarHBondContact O-CB 3.4Å; S310-A313 PolarHBondContact O-N 2.65Å; Y311-A313 PolarHBondContact O-N 3.05Å; A313-S315 PolarHBondContact O-N 3.31Å; A313-K316 WeakPolarHBondContact O-CB 3.17Å; A313-K316 PolarHBondContact O-N 3.45Å; A313-L333 HydrophobicContact CB-CD1 3.67Å; A313-L333 HydrophobicContact CB-CD2 4.28Å
314H89.5Confident93.6Very high7 Ų722.7 Ų22.73%0.03212%0.117CC..Hα-helixtrans-53.4-36.1175.4-176.5-119.9000112.7S268 I271 S310 Y311 K316 L317S268-H314 PolarHBondContact OG-CD2 3.46Å; S268-H314 VanDerWaalsContact OG-CD2 3.32Å; S268-H314 PolarHBondContact OG-NE2 2.94Å; I271-H314 HydrophobicContact CD1-CB 3.88Å; I271-H314 HydrophobicContact CG1-CB 3.87Å; S310-H314 PolarHBondContact O-N 3.45Å; Y311-H314 HydrophobicContact CD1-CB 4.28Å; Y311-H314 WeakPolarHBondContact O-CB 3.5Å; Y311-H314 PolarHBondContact O-N 3.15Å; Y311-H314 VanDerWaalsContact O-N 3.16Å; H314-K316 PolarHBondContact O-N 2.88Å; H314-L317 WeakPolarHBondContact O-CB 3.44Å; H314-L317 PolarHBondContact O-N 3.21Å
315S83.4Confident93.4Very high6 Ų627.2 Ų27.24%0.04214%0.138CC..THydrogen-bonded Turntrans-61.6-18.1179.774.60000115Y311 A312 A313 F360 L425Y311-S315 PolarHBondContact O-N 3.31Å; A312-S315 PolarHBondContact O-OG 2.63Å; A313-S315 PolarHBondContact O-N 3.31Å; S315-F360 VanDerWaalsContact CB-CD2 3.49Å; S315-L425 VanDerWaalsContact CA-CD2 3.42Å; S315-L425 VanDerWaalsContact O-CD2 3.29Å; S315-L425 WeakPolarHBondContact O-CD2 3.24Å
316K88.4Confident93.3Very high95 Ų9527.2 Ų27.241%0.41314%0.138SC..THydrogen-bonded Turntrans-95.1-3.2-179.3-54.5-178.3179.6-178.90112.5A313 H314 I329 N427A313-K316 WeakPolarHBondContact O-CB 3.17Å; A313-K316 PolarHBondContact O-N 3.45Å; H314-K316 PolarHBondContact O-N 2.88Å; K316-I329 HydrophobicContact CB-CD1 4.05Å; K316-I329 HydrophobicContact CB-CG2 4.39Å; K316-N427 PolarHBondContact O-ND2 2.86Å
317L92.9Very high93.2Very high0 Ų031.7 Ų31.70%016%0.158CC..  trans-85.1168.4178.6-56.2-171.9000112P265 I271 H314 I326 I329 V330 N427 L437P265-L317 HydrophobicContact CG-CD1 4.19Å; P265-L317 HydrophobicContact CG-CD2 4.25Å; I271-L317 HydrophobicContact CD1-CD1 3.6Å; I271-L317 HydrophobicContact CD1-CG 4.49Å; I271-L317 HydrophobicContact CG1-CD1 4.06Å; H314-L317 WeakPolarHBondContact O-CB 3.44Å; H314-L317 PolarHBondContact O-N 3.21Å; L317-I326 HydrophobicContact CD2-CG2 4.08Å; L317-I329 HydrophobicContact CD2-CG2 4.14Å; L317-V330 HydrophobicContact CD2-CG2 3.89Å; L317-N427 WeakPolarHBondContact O-CB 3.41Å; L317-L437 HydrophobicContact CB-CD1 3.79Å
318G94Very high93.1Very high0 Ų034.9 Ų34.90%018%0.18CC..  trans175.2-160.4-177.400000110.2P265 P320P265-G318 WeakPolarHBondContact CB-O 3.21Å; G318-P320 WeakPolarHBondContact O-CD 2.95Å
319D96.5Very high93Very high2 Ų236.4 Ų36.41%0.01119%0.189CC..  trans-79.6113.8174.4-170.7-18.9000111.1N321 F322 K323 K434 R435D319-N321 PolarHBondContact O-N 2.02Å; D319-N321 VanDerWaalsContact OD1-CB 3.32Å; D319-N321 WeakPolarHBondContact OD1-CB 3.16Å; D319-N321 PolarHBondContact OD1-N 2.99Å; D319-N321 PolarHBondContact OD1-ND2 2.92Å; D319-F322 HydrophobicContact CB-CD2 4.16Å; D319-F322 PolarHBondContact O-N 2.92Å; D319-F322 VanDerWaalsContact O-N 3.1Å; D319-K323 PolarHBondContact O-N 2.84Å; D319-K434 HydrophobicContact CB-CD 4.42Å; D319-K434 HydrophobicContact CB-CG 3.69Å; D319-R435 WeakPolarHBondContact OD2-CB 3.49Å; D319-R435 PolarHBondContact OD2-N 3Å
320P95.6Very high93.1Very high8 Ų836 Ų365%0.05219%0.187CC..THydrogen-bonded Turntrans-68.8-15.5-178.829.4-35.4000113.6P265 G318 F322 K323 P324 I326 F327P265-P320 VanDerWaalsContact O-CD 3.24Å; P265-P320 WeakPolarHBondContact O-CD 3.46Å; P265-P320 VanDerWaalsContact O-CG 3.31Å; P265-P320 WeakPolarHBondContact O-CG 3.43Å; G318-P320 WeakPolarHBondContact O-CD 2.95Å; P320-F322 PolarHBondContact O-N 3.04Å; P320-K323 CarbonylContact O-C 3.58Å; P320-K323 PolarHBondContact O-N 2.87Å; P320-P324 WeakPolarHBondContact O-CA 3.24Å; P320-I326 HydrophobicContact CB-CB 4.3Å; P320-I326 HydrophobicContact CB-CG2 4.43Å; P320-F327 HydrophobicContact CB-CD2 3.95Å; P320-F327 HydrophobicContact CB-CE1 4.13Å; P320-F327 HydrophobicContact CB-CE2 3.5Å; P320-F327 VanDerWaalsContact CB-CE2 3.5Å; P320-F327 HydrophobicContact CB-CG 4.46Å; P320-F327 HydrophobicContact CB-CZ 3.58Å; P320-F327 HydrophobicContact CG-CE1 4.1Å; P320-F327 HydrophobicContact CG-CE2 4.05Å; P320-F327 HydrophobicContact CG-CZ 3.61Å
321N94.4Very high93.2Very high83 Ų8342.8 Ų42.844%0.44422%0.219SC..THydrogen-bonded Turntrans-67.8-20173.2-59-68.2000112.2K245 D319K245-N321 PolarHBondContact NZ-OD1 3.04Å; D319-N321 PolarHBondContact O-N 2.02Å; D319-N321 VanDerWaalsContact OD1-CB 3.32Å; D319-N321 WeakPolarHBondContact OD1-CB 3.16Å; D319-N321 PolarHBondContact OD1-N 2.99Å; D319-N321 PolarHBondContact OD1-ND2 2.92Å
322F95.9Very high93.3Very high72 Ų7249.6 Ų49.632%0.31624%0.244SC..THydrogen-bonded Turntrans-105.8-22.6178.8-72.7-99.7000112.6D319 P320 M431 P432 K434D319-F322 HydrophobicContact CB-CD2 4.16Å; D319-F322 PolarHBondContact O-N 2.92Å; D319-F322 VanDerWaalsContact O-N 3.1Å; P320-F322 PolarHBondContact O-N 3.04Å; F322-M431 HydrophobicContact CD1-CB 4.19Å; F322-M431 HydrophobicContact CD1-CE 3.61Å; F322-M431 HydrophobicContact CD1-SD 3.68Å; F322-M431 HydrophobicContact CE1-CB 3.93Å; F322-M431 HydrophobicContact CE1-CE 3.93Å; F322-M431 HydrophobicContact CE1-SD 4.29Å; F322-M431 HydrophobicContact CG-SD 4.5Å; F322-P432 VanDerWaalsContact CZ-O 3.23Å; F322-P432 WeakPolarHBondContact CZ-O 3.12Å; F322-K434 HydrophobicContact CD1-CD 4.48Å; F322-K434 HydrophobicContact CD2-CB 3.94Å; F322-K434 HydrophobicContact CD2-CD 4.27Å; F322-K434 HydrophobicContact CD2-CG 3.66Å; F322-K434 HydrophobicContact CE1-CB 4.22Å; F322-K434 HydrophobicContact CE2-CB 3.62Å; F322-K434 HydrophobicContact CE2-CG 3.88Å; F322-K434 HydrophobicContact CG-CB 4.4Å; F322-K434 HydrophobicContact CG-CD 4.15Å; F322-K434 HydrophobicContact CG-CG 4.05Å; F322-K434 HydrophobicContact CZ-CB 3.77Å; F322-K434 HydrophobicContact CZ-CG 4.4Å
323K93.1Very high93.5Very high65 Ų6549.3 Ų49.328%0.28324%0.242SC..  trans-140.380.8178.2-71.1-164.1176.6-155.30110.2D319 P320 E325 I326 N427D319-K323 PolarHBondContact O-N 2.84Å; P320-K323 CarbonylContact O-C 3.58Å; P320-K323 PolarHBondContact O-N 2.87Å; K323-E325 VanDerWaalsContact CA-OE2 3.26Å; K323-E325 WeakPolarHBondContact CA-OE2 3.49Å; K323-E325 PolarHBondContact O-N 3.02Å; K323-E325 VanDerWaalsContact O-N 3.09Å; K323-I326 HydrophobicContact CB-CD1 3.67Å; K323-I326 HydrophobicContact CB-CG1 4.01Å; K323-I326 VanDerWaalsContact O-CB 3.3Å; K323-I326 WeakPolarHBondContact O-CB 3.25Å; K323-I326 WeakPolarHBondContact O-CD1 3.48Å; K323-I326 VanDerWaalsContact O-CG1 3.25Å; K323-I326 WeakPolarHBondContact O-CG1 3.1Å; K323-I326 PolarHBondContact O-N 2.96Å; K323-N427 HydrophobicContact CD-CB 4.24Å; K323-N427 VanDerWaalsContact CD-OD1 3.29Å; K323-N427 WeakPolarHBondContact CD-OD1 3.26Å; K323-N427 WeakPolarHBondContact CE-OD1 3.03Å; K323-N427 PolarHBondContact NZ-OD1 2.96Å
324P93.2Very high93.9Very high85 Ų8549.6 Ų49.655%0.55224%0.241SC*.THydrogen-bonded Turntrans-57.4-25.1-175.8-26.235.8000114.1P320 I326 F327P320-P324 WeakPolarHBondContact O-CA 3.24Å; P324-I326 PolarHBondContact O-N 3.19Å; P324-I326 VanDerWaalsContact O-N 3.08Å; P324-F327 PolarHBondContact O-N 3.42Å; P324-F327 VanDerWaalsContact O-N 3.13Å
325E94.7Very high94.2Very high96 Ų9650.9 Ų50.945%0.44925%0.251SS..THydrogen-bonded Turntrans-58-20.5175.267.5-87.6-15700113.4K323 F327 S328 I329K323-E325 VanDerWaalsContact CA-OE2 3.26Å; K323-E325 WeakPolarHBondContact CA-OE2 3.49Å; K323-E325 PolarHBondContact O-N 3.02Å; K323-E325 VanDerWaalsContact O-N 3.09Å; E325-F327 PolarHBondContact O-N 3.29Å; E325-S328 WeakPolarHBondContact O-CB 3.37Å; E325-S328 PolarHBondContact O-N 3.31Å; E325-S328 PolarHBondContact O-OG 2.89Å; E325-I329 PolarHBondContact O-N 3.03Å
326I95.1Very high94.7Very high0 Ų057.2 Ų57.20%028%0.278CS..Hα-helixtrans-56.8-35175.1-70.4169.3000111.6P265 L317 P320 K323 P324 S328 I329 V330P265-I326 HydrophobicContact CB-CG2 3.82Å; P265-I326 HydrophobicContact CG-CG2 3.83Å; L317-I326 HydrophobicContact CD2-CG2 4.08Å; P320-I326 HydrophobicContact CB-CB 4.3Å; P320-I326 HydrophobicContact CB-CG2 4.43Å; K323-I326 HydrophobicContact CB-CD1 3.67Å; K323-I326 HydrophobicContact CB-CG1 4.01Å; K323-I326 VanDerWaalsContact O-CB 3.3Å; K323-I326 WeakPolarHBondContact O-CB 3.25Å; K323-I326 WeakPolarHBondContact O-CD1 3.48Å; K323-I326 VanDerWaalsContact O-CG1 3.25Å; K323-I326 WeakPolarHBondContact O-CG1 3.1Å; K323-I326 PolarHBondContact O-N 2.96Å; P324-I326 PolarHBondContact O-N 3.19Å; P324-I326 VanDerWaalsContact O-N 3.08Å; I326-S328 VanDerWaalsContact C-N 3.31Å; I326-S328 PolarHBondContact O-N 3.23Å; I326-I329 WeakPolarHBondContact O-CB 3.47Å; I326-I329 PolarHBondContact O-N 3.19Å; I326-V330 WeakPolarHBondContact O-CG2 3.4Å; I326-V330 PolarHBondContact O-N 3Å
327F95Very high95.1Very high93 Ų9357.1 Ų57.141%0.40828%0.282SS..Hα-helixtrans-61.8-40.6176.7-72.4-58.2000111.8P264 P320 P324 E325 I329 V330 E331P264-F327 HydrophobicContact CB-CE1 4.04Å; P320-F327 HydrophobicContact CB-CD2 3.95Å; P320-F327 HydrophobicContact CB-CE1 4.13Å; P320-F327 HydrophobicContact CB-CE2 3.5Å; P320-F327 VanDerWaalsContact CB-CE2 3.5Å; P320-F327 HydrophobicContact CB-CG 4.46Å; P320-F327 HydrophobicContact CB-CZ 3.58Å; P320-F327 HydrophobicContact CG-CE1 4.1Å; P320-F327 HydrophobicContact CG-CE2 4.05Å; P320-F327 HydrophobicContact CG-CZ 3.61Å; P324-F327 PolarHBondContact O-N 3.42Å; P324-F327 VanDerWaalsContact O-N 3.13Å; E325-F327 PolarHBondContact O-N 3.29Å; F327-I329 VanDerWaalsContact C-N 3.3Å; F327-I329 PolarHBondContact O-N 3.34Å; F327-V330 PolarHBondContact O-N 3.24Å; F327-E331 WeakPolarHBondContact O-CG 3.42Å; F327-E331 PolarHBondContact O-N 3.23Å
328S95.5Very high95.2Very high67 Ų6758.6 Ų58.647%0.46929%0.288SS..Hα-helixtrans-65.5-32.9176.374.40000112.8E325 I326 R332E325-S328 WeakPolarHBondContact O-CB 3.37Å; E325-S328 PolarHBondContact O-N 3.31Å; E325-S328 PolarHBondContact O-OG 2.89Å; I326-S328 VanDerWaalsContact C-N 3.31Å; I326-S328 PolarHBondContact O-N 3.23Å; S328-R332 PolarHBondContact O-N 2.9Å
329I93.8Very high95.3Very high44 Ų4458.7 Ų58.723%0.22629%0.289CS..Hα-helixtrans-65-44174.1-61.3175000109.9K316 L317 E325 I326 F327 R332 L333K316-I329 HydrophobicContact CB-CD1 4.05Å; K316-I329 HydrophobicContact CB-CG2 4.39Å; L317-I329 HydrophobicContact CD2-CG2 4.14Å; E325-I329 PolarHBondContact O-N 3.03Å; I326-I329 WeakPolarHBondContact O-CB 3.47Å; I326-I329 PolarHBondContact O-N 3.19Å; F327-I329 VanDerWaalsContact C-N 3.3Å; F327-I329 PolarHBondContact O-N 3.34Å; I329-R332 PolarHBondContact O-N 2.81Å; I329-L333 VanDerWaalsContact O-CB 3.22Å; I329-L333 WeakPolarHBondContact O-CB 3.36Å; I329-L333 PolarHBondContact O-N 3.16Å
330V96.8Very high95.3Very high3 Ų364.9 Ų64.92%0.01831%0.312CS..Hα-helixtrans-65.9-43.5177.9173.30000111.8V250 P265 A270 L317 I326 F327 R332 L333 L334V250-V330 HydrophobicContact CB-CG1 4.44Å; V250-V330 HydrophobicContact CG1-CG1 3.6Å; P265-V330 HydrophobicContact CG-CG2 3.52Å; A270-V330 HydrophobicContact CB-CG1 3.79Å; A270-V330 HydrophobicContact CB-CG2 4.31Å; L317-V330 HydrophobicContact CD2-CG2 3.89Å; I326-V330 WeakPolarHBondContact O-CG2 3.4Å; I326-V330 PolarHBondContact O-N 3Å; F327-V330 PolarHBondContact O-N 3.24Å; V330-R332 VanDerWaalsContact C-N 3.34Å; V330-R332 PolarHBondContact O-N 2.92Å; V330-L333 WeakPolarHBondContact O-CB 3.45Å; V330-L333 PolarHBondContact O-N 3Å; V330-L334 HydrophobicContact CG1-CD1 3.84Å; V330-L334 HydrophobicContact CG1-CG 4.3Å; V330-L334 WeakPolarHBondContact O-CB 3.49Å; V330-L334 WeakPolarHBondContact O-CG 3.41Å; V330-L334 PolarHBondContact O-N 2.98Å
331E96.8Very high95.3Very high141 Ų14168.6 Ų68.666%0.65933%0.329SS*.Hα-helixtrans-58-46.6175.7-75.3176.5178.900111.4F327 L334 S335F327-E331 WeakPolarHBondContact O-CG 3.42Å; F327-E331 PolarHBondContact O-N 3.23Å; E331-L334 PolarHBondContact O-N 2.95Å; E331-S335 PolarHBondContact O-N 2.87Å; E331-S335 VanDerWaalsContact O-N 3.15Å
332R95.7Very high95.4Very high152 Ų15264.9 Ų64.957%0.57431%0.309SS*.Hα-helixtrans-61.3-48.2174.1-179.4174.8-179.8156.44.1111.3S328 I329 V330 L334 S335 F338 E341S328-R332 PolarHBondContact O-N 2.9Å; I329-R332 PolarHBondContact O-N 2.81Å; V330-R332 VanDerWaalsContact C-N 3.34Å; V330-R332 PolarHBondContact O-N 2.92Å; R332-L334 VanDerWaalsContact C-N 3.26Å; R332-L334 PolarHBondContact O-N 2.88Å; R332-S335 VanDerWaalsContact O-CB 3.26Å; R332-S335 WeakPolarHBondContact O-CB 3.34Å; R332-S335 PolarHBondContact O-N 2.97Å; R332-S335 PolarHBondContact O-OG 3.45Å; R332-F338 WeakPolarHBondContact O-CB 3.43Å; R332-E341 IonicContact NH2-OE2 2.7Å
333L95.1Very high95.5Very high4 Ų463.9 Ų63.92%0.02130%0.303CS..Hα-helixtrans-58-38.2-178.1177.364.8000112.5A270 I271 A274 A313 I329 V330 S335 F338A270-L333 HydrophobicContact CB-CD2 4.42Å; I271-L333 HydrophobicContact CD1-CD2 3.47Å; I271-L333 VanDerWaalsContact CD1-CD2 3.47Å; A274-L333 HydrophobicContact CB-CD1 3.59Å; A274-L333 HydrophobicContact CB-CD2 4.09Å; A274-L333 HydrophobicContact CB-CG 3.63Å; A313-L333 HydrophobicContact CB-CD1 3.67Å; A313-L333 HydrophobicContact CB-CD2 4.28Å; I329-L333 VanDerWaalsContact O-CB 3.22Å; I329-L333 WeakPolarHBondContact O-CB 3.36Å; I329-L333 PolarHBondContact O-N 3.16Å; V330-L333 WeakPolarHBondContact O-CB 3.45Å; V330-L333 PolarHBondContact O-N 3Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-F338 HydrophobicContact CD1-CD1 4.05Å; L333-F338 HydrophobicContact CD1-CE1 3.45Å; L333-F338 VanDerWaalsContact CD1-CE1 3.45Å; L333-F338 HydrophobicContact CD1-CE2 4.46Å; L333-F338 HydrophobicContact CD1-CZ 3.69Å; L333-F338 VanDerWaalsContact O-CD1 3.25Å; L333-F338 WeakPolarHBondContact O-CD1 3.37Å
334L96.7Very high95.7Very high18 Ų1868.1 Ų68.19%0.09432%0.324CS..THydrogen-bonded Turntrans-87.5-1.1179.2-63.7-179.8000113.5V250 V252 A270 M273 A274 N277 V330 E331 R332V250-L334 HydrophobicContact CB-CD1 3.96Å; V250-L334 HydrophobicContact CG1-CD1 4.48Å; V252-L334 HydrophobicContact CB-CB 4.29Å; V252-L334 HydrophobicContact CB-CD2 4.2Å; V252-L334 HydrophobicContact CG1-CD2 4.28Å; V252-L334 HydrophobicContact CG2-CB 4.26Å; V252-L334 HydrophobicContact CG2-CD2 4.5Å; V252-L334 WeakPolarHBondContact CG2-O 3.48Å; A270-L334 HydrophobicContact CB-CD1 4.39Å; A270-L334 WeakPolarHBondContact O-CD2 3.29Å; M273-L334 HydrophobicContact CB-CD2 3.74Å; M273-L334 HydrophobicContact CE-CD1 4.19Å; A274-L334 HydrophobicContact CB-CD2 4.43Å; N277-L334 PolarHBondContact ND2-O 2.84Å; V330-L334 HydrophobicContact CG1-CD1 3.84Å; V330-L334 HydrophobicContact CG1-CG 4.3Å; V330-L334 WeakPolarHBondContact O-CB 3.49Å; V330-L334 WeakPolarHBondContact O-CG 3.41Å; V330-L334 PolarHBondContact O-N 2.98Å; E331-L334 PolarHBondContact O-N 2.95Å; R332-L334 VanDerWaalsContact C-N 3.26Å; R332-L334 PolarHBondContact O-N 2.88Å
335S96.1Very high95.9Very high35 Ų3569.1 Ų69.125%0.24532%0.32CS..SBendtrans-72.1153.7-179.975.30000112.9N277 E331 R332 L333 D337 F338 S339N277-S335 PolarHBondContact ND2-O 3.33Å; E331-S335 PolarHBondContact O-N 2.87Å; E331-S335 VanDerWaalsContact O-N 3.15Å; R332-S335 VanDerWaalsContact O-CB 3.26Å; R332-S335 WeakPolarHBondContact O-CB 3.34Å; R332-S335 PolarHBondContact O-N 2.97Å; R332-S335 PolarHBondContact O-OG 3.45Å; L333-S335 VanDerWaalsContact C-N 3.34Å; S335-D337 PolarHBondContact O-N 2.87Å; S335-F338 WeakPolarHBondContact OG-CB 3.46Å; S335-F338 PolarHBondContact OG-N 2.74Å; S335-F338 VanDerWaalsContact OG-N 3.07Å; S335-S339 PolarHBondContact O-N 3Å
336K93.9Very high96Very high139 Ų13965.4 Ų65.460%0.60430%0.303SS*.Hα-helixtrans-64.9-28.9171.8-69.4-171.8177.2-1730112.5S339 R340K336-S339 PolarHBondContact O-OG 3.5Å; K336-S339 VanDerWaalsContact O-OG 3.14Å; K336-R340 VanDerWaalsContact O-CB 3.3Å; K336-R340 WeakPolarHBondContact O-CB 3.32Å; K336-R340 PolarHBondContact O-N 2.92Å
337D95.9Very high96.1Very high92 Ų9268.7 Ų68.749%0.49232%0.321SS..Hα-helixtrans-73.7-45.1-178.6-67.6-24.6000110.9S335 S339 R340 E341S335-D337 PolarHBondContact O-N 2.87Å; D337-S339 VanDerWaalsContact C-N 3.33Å; D337-S339 PolarHBondContact O-N 2.89Å; D337-R340 WeakPolarHBondContact O-CB 3.06Å; D337-R340 PolarHBondContact O-N 2.79Å; D337-R340 VanDerWaalsContact O-N 3.17Å; D337-R340 IonicContact OD1-CZ 3.72Å; D337-R340 IonicContact OD1-NE 3.49Å; D337-R340 IonicContact OD1-NH2 2.61Å; D337-R340 PolarHBondContact OD1-NH2 3.43Å; D337-E341 WeakPolarHBondContact O-CG 3.26Å; D337-E341 PolarHBondContact O-N 3.09Å
338F94.5Very high96Very high31 Ų3167.9 Ų67.914%0.13632%0.32CS..Hα-helixtrans-57-47.1171.7177.5-93.8000111.7I278 R332 L333 S335 R340 E341 V342I278-F338 HydrophobicContact CD1-CE1 4.29Å; R332-F338 WeakPolarHBondContact O-CB 3.43Å; L333-F338 HydrophobicContact CD1-CD1 4.05Å; L333-F338 HydrophobicContact CD1-CE1 3.45Å; L333-F338 VanDerWaalsContact CD1-CE1 3.45Å; L333-F338 HydrophobicContact CD1-CE2 4.46Å; L333-F338 HydrophobicContact CD1-CZ 3.69Å; L333-F338 VanDerWaalsContact O-CD1 3.25Å; L333-F338 WeakPolarHBondContact O-CD1 3.37Å; S335-F338 WeakPolarHBondContact OG-CB 3.46Å; S335-F338 PolarHBondContact OG-N 2.74Å; S335-F338 VanDerWaalsContact OG-N 3.07Å; F338-R340 VanDerWaalsContact C-N 3.26Å; F338-R340 PolarHBondContact O-N 2.67Å; F338-E341 PolarHBondContact O-N 2.97Å; F338-V342 HydrophobicContact CD1-CG2 4.16Å; F338-V342 HydrophobicContact CD2-CG2 4.42Å; F338-V342 HydrophobicContact CE1-CG2 3.66Å; F338-V342 HydrophobicContact CE2-CG2 3.98Å; F338-V342 HydrophobicContact CZ-CG2 3.58Å; F338-V342 WeakPolarHBondContact O-CG2 3.44Å; F338-V342 PolarHBondContact O-N 3.32Å
339S96.2Very high96.1Very high2 Ų271.7 Ų71.71%0.01433%0.328CS..Hα-helixtrans-64.3-33.2-179.578.10000112.4N277 S335 K336 D337 R343N277-S339 WeakPolarHBondContact O-CB 3.46Å; N277-S339 PolarHBondContact O-OG 3.48Å; S335-S339 PolarHBondContact O-N 3Å; K336-S339 PolarHBondContact O-OG 3.5Å; K336-S339 VanDerWaalsContact O-OG 3.14Å; D337-S339 VanDerWaalsContact C-N 3.33Å; D337-S339 PolarHBondContact O-N 2.89Å; S339-R343 WeakPolarHBondContact O-CB 3.33Å; S339-R343 WeakPolarHBondContact O-CG 3.3Å; S339-R343 VanDerWaalsContact O-CZ 3.29Å; S339-R343 PolarHBondContact O-N 3.26Å; S339-R343 PolarHBondContact O-NH1 2.86Å; S339-R343 PolarHBondContact OG-NH1 3.27Å; S339-R343 PolarHBondContact OG-NH2 2.95Å; S339-R343 VanDerWaalsContact OG-NH2 3.08Å
340R96.8Very high96.3Very high132 Ų13270.5 Ų70.550%0.49833%0.325SS..Hα-helixtrans-69.7-47.4174.3-167.7-166.6-38.4-157.912.9112.3K336 D337 F338 V342 R343 Q344K336-R340 VanDerWaalsContact O-CB 3.3Å; K336-R340 WeakPolarHBondContact O-CB 3.32Å; K336-R340 PolarHBondContact O-N 2.92Å; D337-R340 WeakPolarHBondContact O-CB 3.06Å; D337-R340 PolarHBondContact O-N 2.79Å; D337-R340 VanDerWaalsContact O-N 3.17Å; D337-R340 IonicContact OD1-CZ 3.72Å; D337-R340 IonicContact OD1-NE 3.49Å; D337-R340 IonicContact OD1-NH2 2.61Å; D337-R340 PolarHBondContact OD1-NH2 3.43Å; F338-R340 VanDerWaalsContact C-N 3.26Å; F338-R340 PolarHBondContact O-N 2.67Å; R340-V342 VanDerWaalsContact C-N 3.31Å; R340-V342 PolarHBondContact O-N 3.1Å; R340-R343 PolarHBondContact O-N 3.02Å; R340-Q344 WeakPolarHBondContact O-CG 3.45Å; R340-Q344 PolarHBondContact O-N 3.43Å
341E96.6Very high96.2Very high86 Ų8672.4 Ų72.440%0.40233%0.334SS..Hα-helixtrans-56.7-45.9175.9-74.5174.5-173.600110.8R332 D337 F338 Q344 K345R332-E341 IonicContact NH2-OE2 2.7Å; D337-E341 WeakPolarHBondContact O-CG 3.26Å; D337-E341 PolarHBondContact O-N 3.09Å; F338-E341 PolarHBondContact O-N 2.97Å; E341-Q344 PolarHBondContact O-N 3.07Å; E341-K345 PolarHBondContact O-N 2.75Å
342V96.8Very high96Very high6 Ų669.2 Ų69.24%0.03633%0.325CS..Hα-helixtrans-63-48.4176.9169.70000111.1I278 F309 F338 R340 Q344 K345 I346I278-V342 HydrophobicContact CD1-CB 4.27Å; I278-V342 HydrophobicContact CD1-CG1 3.74Å; I278-V342 HydrophobicContact CD1-CG2 4.48Å; I278-V342 HydrophobicContact CG1-CB 4.22Å; I278-V342 HydrophobicContact CG1-CG1 3.98Å; I278-V342 HydrophobicContact CG2-CG1 3.99Å; F309-V342 HydrophobicContact CB-CG1 3.8Å; F309-V342 HydrophobicContact CB-CG2 4.21Å; F309-V342 HydrophobicContact CD1-CG1 4.33Å; F309-V342 HydrophobicContact CD1-CG2 4.2Å; F309-V342 HydrophobicContact CD2-CG1 3.51Å; F309-V342 HydrophobicContact CE2-CG1 4.14Å; F309-V342 HydrophobicContact CG-CG1 3.62Å; F309-V342 HydrophobicContact CG-CG2 4.16Å; F338-V342 HydrophobicContact CD1-CG2 4.16Å; F338-V342 HydrophobicContact CD2-CG2 4.42Å; F338-V342 HydrophobicContact CE1-CG2 3.66Å; F338-V342 HydrophobicContact CE2-CG2 3.98Å; F338-V342 HydrophobicContact CZ-CG2 3.58Å; F338-V342 WeakPolarHBondContact O-CG2 3.44Å; F338-V342 PolarHBondContact O-N 3.32Å; R340-V342 VanDerWaalsContact C-N 3.31Å; R340-V342 PolarHBondContact O-N 3.1Å; V342-Q344 PolarHBondContact O-N 3.25Å; V342-K345 WeakPolarHBondContact O-CA 3.28Å; V342-K345 WeakPolarHBondContact O-CB 3.31Å; V342-K345 PolarHBondContact O-N 3.25Å; V342-I346 HydrophobicContact CG1-CD1 3.85Å; V342-I346 HydrophobicContact CG1-CG1 4.25Å; V342-I346 WeakPolarHBondContact O-CG1 3.23Å; V342-I346 PolarHBondContact O-N 2.91Å
343R97.5Very high95.7Very high50 Ų5062.5 Ų62.519%0.18930%0.301CS..Hα-helixtrans-58.9-33.6178.3-80.3-171.2-66.8-81.9-7.3113.4N277 I278 Y282 S339 R340 K345 I346N277-R343 PolarHBondContact O-NH1 3.08Å; I278-R343 HydrophobicContact CG2-CG 4.05Å; I278-R343 VanDerWaalsContact O-CD 3.3Å; I278-R343 WeakPolarHBondContact O-CD 3.26Å; I278-R343 PolarHBondContact O-NH1 3.11Å; Y282-R343 HydrophobicContact CE2-CG 4.03Å; S339-R343 WeakPolarHBondContact O-CB 3.33Å; S339-R343 WeakPolarHBondContact O-CG 3.3Å; S339-R343 VanDerWaalsContact O-CZ 3.29Å; S339-R343 PolarHBondContact O-N 3.26Å; S339-R343 PolarHBondContact O-NH1 2.86Å; S339-R343 PolarHBondContact OG-NH1 3.27Å; S339-R343 PolarHBondContact OG-NH2 2.95Å; S339-R343 VanDerWaalsContact OG-NH2 3.08Å; R340-R343 PolarHBondContact O-N 3.02Å; R343-K345 PolarHBondContact O-N 2.81Å; R343-I346 PolarHBondContact O-N 2.69Å
344Q97.5Very high95.3Very high155 Ų15569.6 Ų69.672%0.72433%0.334SS*.Hα-helixtrans-67.4-26.1175.5-74174.3-1300112.9R340 E341 V342R340-Q344 WeakPolarHBondContact O-CG 3.45Å; R340-Q344 PolarHBondContact O-N 3.43Å; E341-Q344 PolarHBondContact O-N 3.07Å; V342-Q344 PolarHBondContact O-N 3.25Å
345K97Very high95.2Very high106 Ų10672.4 Ų72.446%0.46135%0.346SS..Hα-helixtrans-84.6-29.1176-66.6179.9179-173.90113F309 E341 V342 R343 N347 F355F309-K345 HydrophobicContact CE1-CD 4Å; F309-K345 HydrophobicContact CE2-CB 4.3Å; F309-K345 HydrophobicContact CZ-CB 3.76Å; F309-K345 HydrophobicContact CZ-CD 3.98Å; E341-K345 PolarHBondContact O-N 2.75Å; V342-K345 WeakPolarHBondContact O-CA 3.28Å; V342-K345 WeakPolarHBondContact O-CB 3.31Å; V342-K345 PolarHBondContact O-N 3.25Å; R343-K345 PolarHBondContact O-N 2.81Å; K345-N347 PolarHBondContact O-N 2.61Å; K345-F355 HydrophobicContact CB-CE1 4.23Å; K345-F355 HydrophobicContact CB-CZ 3.94Å
346I97.5Very high95Very high17 Ų1771.5 Ų71.59%0.08734%0.337CS..  trans-70.2111.6178.6-63.7174.5000109.2I278 R302 E305 F309 V342 R343I278-I346 HydrophobicContact CG2-CD1 3.91Å; R302-I346 HydrophobicContact CG-CG2 4.1Å; E305-I346 HydrophobicContact CB-CD1 3.99Å; E305-I346 HydrophobicContact CB-CG1 3.91Å; E305-I346 HydrophobicContact CB-CG2 3.97Å; E305-I346 HydrophobicContact CG-CG2 4.24Å; F309-I346 HydrophobicContact CD2-CD1 4.4Å; F309-I346 HydrophobicContact CD2-CG1 4.11Å; F309-I346 HydrophobicContact CE2-CG1 3.87Å; V342-I346 HydrophobicContact CG1-CD1 3.85Å; V342-I346 HydrophobicContact CG1-CG1 4.25Å; V342-I346 WeakPolarHBondContact O-CG1 3.23Å; V342-I346 PolarHBondContact O-N 2.91Å; R343-I346 PolarHBondContact O-N 2.69Å
347N95.3Very high94.3Very high70 Ų7066.5 Ų66.537%0.37433%0.325SS..  trans-115.3-174.6169.363.941.5000110.4H301 K345 K349 H351H301-N347 PolarHBondContact CD2-O 3.14Å; H301-N347 PolarHBondContact NE2-O 3.43Å; K345-N347 PolarHBondContact O-N 2.61Å; N347-K349 PolarHBondContact O-N 2.92Å; N347-K349 VanDerWaalsContact O-N 3.1Å; N347-K349 PolarHBondContact OD1-N 3.45Å; N347-K349 PolarHBondContact OD1-O 3.14Å; N347-H351 PolarHBondContact ND2-CE1 3.06Å; N347-H351 PolarHBondContact ND2-NE2 2.77Å; N347-H351 PolarHBondContact OD1-NE2 3.2Å
348D94.9Very high93Very high75 Ų7568.7 Ų68.740%0.40133%0.333SS..SBendtrans-75.47.2-173.3-86.544.7000114.6R518D348-R518 VanDerWaalsContact CA-NH1 3.28Å; D348-R518 WeakPolarHBondContact O-CG 3.46Å; D348-R518 PolarHBondContact O-NH1 3.39Å; D348-R518 IonicContact OD1-NH1 3.03Å; D348-R518 IonicContact OD2-CZ 2.77Å; D348-R518 IonicContact OD2-NH1 3.58Å; D348-R518 PolarHBondContact OD2-NH1 2.88Å; D348-R518 IonicContact OD2-NH2 2.7Å; D348-R518 PolarHBondContact OD2-NH2 3.41Å
349K96.8Very high91.5Very high147 Ų14768 Ų6864%0.63933%0.333SS*.SBendtrans-127.6149.7176.6-63.4-174.3177.6-175.70111.5H301 N347 H351 R518H301-K349 VanDerWaalsContact CE1-C 3.45Å; N347-K349 PolarHBondContact O-N 2.92Å; N347-K349 VanDerWaalsContact O-N 3.1Å; N347-K349 PolarHBondContact OD1-N 3.45Å; N347-K349 PolarHBondContact OD1-O 3.14Å; K349-H351 PolarHBondContact O-CD2 3.16Å; K349-H351 PolarHBondContact O-NE2 3.41Å; K349-R518 CarbonylContact C-O 3.49Å; K349-R518 VanDerWaalsContact CA-O 3.32Å; K349-R518 WeakPolarHBondContact CA-O 3.49Å
350A96.8Very high89.9Confident20 Ų2069.7 Ų69.717%0.16534%0.34CS..  trans-76.7152.8167.800000110.1R518 G519 Q520A350-R518 PolarHBondContact N-O 2.6Å; A350-G519 WeakPolarHBondContact CB-O 3.22Å; A350-Q520 HydrophobicContact CB-CG 4.45Å
351H95.6Very high88.1Confident43 Ų4364 Ų6420%0.19932%0.321CS..  trans-120.1161.9179.5-62-82.7000110.7N347 K349 F355 Y356N347-H351 PolarHBondContact ND2-CE1 3.06Å; N347-H351 PolarHBondContact ND2-NE2 2.77Å; N347-H351 PolarHBondContact OD1-NE2 3.2Å; K349-H351 PolarHBondContact O-CD2 3.16Å; K349-H351 PolarHBondContact O-NE2 3.41Å; H351-F355 HydrophobicContact CB-CB 3.52Å; H351-F355 HydrophobicContact CB-CD1 3.54Å; H351-F355 HydrophobicContact CB-CD2 4.25Å; H351-F355 HydrophobicContact CB-CE1 4.26Å; H351-F355 HydrophobicContact CB-CG 3.51Å; H351-F355 AromaticContact CD2-CD1 3.8Å; H351-F355 AromaticContact CD2-CE1 3.6Å; H351-F355 AromaticContact CG-CD1 3.64Å; H351-F355 AromaticContact CG-CE1 3.85Å; H351-F355 AromaticContact CG-CG 3.75Å; H351-Y356 HydrophobicContact CB-CE2 4.23Å; H351-Y356 PolarHBondContact N-OH 3.03Å; H351-Y356 VanDerWaalsContact N-OH 3.15Å; H351-Y356 VanDerWaalsContact O-CE2 3.32Å; H351-Y356 WeakPolarHBondContact O-CE2 3.37Å; H351-Y356 PolarHBondContact O-OH 2.87Å
352P91.8Very high86.3Confident73 Ų7360.9 Ų60.947%0.47431%0.308SS..  trans-60.5158.4169.3-23.835.4000112.5E354 F355 Y356P352-E354 VanDerWaalsContact CB-OE2 3.26Å; P352-E354 WeakPolarHBondContact CB-OE2 3.49Å; P352-E354 PolarHBondContact O-N 2.83Å; P352-E354 VanDerWaalsContact O-N 3.09Å; P352-F355 VanDerWaalsContact O-CB 3.27Å; P352-F355 WeakPolarHBondContact O-CB 3.5Å; P352-F355 PolarHBondContact O-N 3.08Å; P352-Y356 WeakPolarHBondContact O-CE2 3.02Å
353T89.5Confident84.7Confident12 Ų1263.9 Ų63.97%0.07432%0.321CS..G310 helixtrans-50.2-38.1-176.5-63.30000113.7F355 Y356 A359 L496 I497 E499T353-F355 PolarHBondContact O-N 3.07Å; T353-F355 VanDerWaalsContact O-N 3.15Å; T353-Y356 PolarHBondContact O-N 2.89Å; T353-Y356 VanDerWaalsContact O-N 3.17Å; T353-A359 HydrophobicContact CG2-CB 4.04Å; T353-L496 HydrophobicContact CG2-CD1 4.03Å; T353-L496 HydrophobicContact CG2-CG 4.17Å; T353-I497 HydrophobicContact CG2-CG1 4.21Å; T353-E499 PolarHBondContact N-OE2 2.89Å; T353-E499 PolarHBondContact OG1-OE2 2.75Å
354E88.2Confident82.8Confident153 Ų15364.6 Ų64.672%0.71533%0.333SS*.G310 helixtrans-61.9-24.8-177.6-60.574.2-161.500113.4P352 Y356 G357P352-E354 VanDerWaalsContact CB-OE2 3.26Å; P352-E354 WeakPolarHBondContact CB-OE2 3.49Å; P352-E354 PolarHBondContact O-N 2.83Å; P352-E354 VanDerWaalsContact O-N 3.09Å; E354-Y356 VanDerWaalsContact C-N 3.28Å; E354-Y356 PolarHBondContact O-N 3.11Å; E354-G357 PolarHBondContact O-N 2.82Å
355F93.3Very high80.8Confident76 Ų7657.6 Ų57.633%0.33330%0.301SS..G310 helixtrans-65.9-31.9179.2180-103.4000112.8F309 K345 H351 P352 T353F309-F355 HydrophobicContact CE2-CE1 4.18Å; F309-F355 AromaticContact CZ-CD1 3.95Å; F309-F355 HydrophobicContact CZ-CD1 3.95Å; F309-F355 AromaticContact CZ-CE1 3.56Å; F309-F355 HydrophobicContact CZ-CE1 3.56Å; F309-F355 HydrophobicContact CZ-CZ 4.46Å; K345-F355 HydrophobicContact CB-CE1 4.23Å; K345-F355 HydrophobicContact CB-CZ 3.94Å; H351-F355 HydrophobicContact CB-CB 3.52Å; H351-F355 HydrophobicContact CB-CD1 3.54Å; H351-F355 HydrophobicContact CB-CD2 4.25Å; H351-F355 HydrophobicContact CB-CE1 4.26Å; H351-F355 HydrophobicContact CB-CG 3.51Å; H351-F355 AromaticContact CD2-CD1 3.8Å; H351-F355 AromaticContact CD2-CE1 3.6Å; H351-F355 AromaticContact CG-CD1 3.64Å; H351-F355 AromaticContact CG-CE1 3.85Å; H351-F355 AromaticContact CG-CG 3.75Å; P352-F355 VanDerWaalsContact O-CB 3.27Å; P352-F355 WeakPolarHBondContact O-CB 3.5Å; P352-F355 PolarHBondContact O-N 3.08Å; T353-F355 PolarHBondContact O-N 3.07Å; T353-F355 VanDerWaalsContact O-N 3.15Å
356Y91.8Very high79.3Confident16 Ų1654.9 Ų54.96%0.06329%0.29CS..THydrogen-bonded Turntrans-86-18.6-174.9-54.3-83000112.7E305 K308 F309 A312 H351 P352 T353 E354 L496E305-Y356 PolarHBondContact OE1-OH 3.41Å; E305-Y356 VanDerWaalsContact OE1-OH 3.12Å; E305-Y356 VanDerWaalsContact OE2-CE1 3.24Å; E305-Y356 WeakPolarHBondContact OE2-CE1 3.4Å; E305-Y356 VanDerWaalsContact OE2-CZ 3.3Å; E305-Y356 PolarHBondContact OE2-OH 3.22Å; K308-Y356 HydrophobicContact CB-CD1 3.66Å; K308-Y356 HydrophobicContact CB-CD2 4.46Å; K308-Y356 HydrophobicContact CB-CE1 3.69Å; K308-Y356 HydrophobicContact CB-CE2 4.47Å; K308-Y356 HydrophobicContact CB-CG 4.07Å; K308-Y356 HydrophobicContact CD-CD1 4.44Å; K308-Y356 HydrophobicContact CD-CD2 4.46Å; K308-Y356 HydrophobicContact CD-CE1 3.75Å; K308-Y356 HydrophobicContact CD-CE2 3.76Å; K308-Y356 WeakPolarHBondContact CD-OH 3.25Å; K308-Y356 HydrophobicContact CG-CE1 4.4Å; K308-Y356 PolarHBondContact NZ-OH 3.25Å; F309-Y356 AromaticContact CD1-CD1 3.98Å; F309-Y356 HydrophobicContact CD1-CD1 3.98Å; F309-Y356 AromaticContact CD2-CD1 3.74Å; F309-Y356 HydrophobicContact CD2-CD1 3.74Å; F309-Y356 HydrophobicContact CD2-CE1 4.05Å; F309-Y356 AromaticContact CE1-CD1 3.87Å; F309-Y356 HydrophobicContact CE1-CD1 3.87Å; F309-Y356 AromaticContact CE2-CD1 3.64Å; F309-Y356 HydrophobicContact CE2-CD1 3.64Å; F309-Y356 AromaticContact CE2-CE1 3.76Å; F309-Y356 HydrophobicContact CE2-CE1 3.76Å; F309-Y356 AromaticContact CG-CD1 3.92Å; F309-Y356 HydrophobicContact CG-CD1 3.92Å; F309-Y356 AromaticContact CZ-CD1 3.7Å; F309-Y356 HydrophobicContact CZ-CD1 3.7Å; F309-Y356 HydrophobicContact CZ-CE1 4.12Å; A312-Y356 WeakPolarHBondContact CB-O 3.43Å; H351-Y356 HydrophobicContact CB-CE2 4.23Å; H351-Y356 PolarHBondContact N-OH 3.03Å; H351-Y356 VanDerWaalsContact N-OH 3.15Å; H351-Y356 VanDerWaalsContact O-CE2 3.32Å; H351-Y356 WeakPolarHBondContact O-CE2 3.37Å; H351-Y356 PolarHBondContact O-OH 2.87Å; P352-Y356 WeakPolarHBondContact O-CE2 3.02Å; T353-Y356 PolarHBondContact O-N 2.89Å; T353-Y356 VanDerWaalsContact O-N 3.17Å; E354-Y356 VanDerWaalsContact C-N 3.28Å; E354-Y356 PolarHBondContact O-N 3.11Å; Y356-L496 HydrophobicContact CD2-CD1 3.52Å; Y356-L496 HydrophobicContact CE2-CD1 4.29Å; Y356-L496 HydrophobicContact CG-CD1 3.87Å
357G80.6Confident78.1Confident34 Ų3454.1 Ų54.135%0.35129%0.286SS..  trans119.9-173.4179.200000113.2E354 A359E354-G357 PolarHBondContact O-N 2.82Å; G357-A359 PolarHBondContact O-N 2.81Å
358E68.9Low77.9Confident139 Ų13951 Ų5165%0.6527%0.269SS*.SBendtrans-61.6133.3174.6-69.1-179.2174.200110.8F360E358-F360 HydrophobicContact CB-CE2 4.42Å
359A61.4Low77.8Confident17 Ų1747.4 Ų47.414%0.1425%0.251CS..  trans-137.4140.2-168.300000110.7T353 G357 L496 I497T353-A359 HydrophobicContact CG2-CB 4.04Å; G357-A359 PolarHBondContact O-N 2.81Å; A359-L496 HydrophobicContact CB-CD2 3.4Å; A359-L496 VanDerWaalsContact CB-CD2 3.4Å; A359-L496 HydrophobicContact CB-CG 3.93Å; A359-I497 HydrophobicContact CB-CD1 3.23Å; A359-I497 HydrophobicContact CB-CG1 4.01Å; A359-I497 WeakPolarHBondContact O-CD1 3.46Å
360F62.5Low77.9Confident37 Ų3740.4 Ų40.416%0.16222%0.22CC..  trans-133.6150.5-176.6-63.2-103.7000108.1S315 E358 P362 P423 P424 L425 L426S315-F360 VanDerWaalsContact CB-CD2 3.49Å; E358-F360 HydrophobicContact CB-CE2 4.42Å; F360-P362 WeakPolarHBondContact O-CD 3.26Å; F360-P423 HydrophobicContact CD1-CB 4.08Å; F360-P423 HydrophobicContact CD1-CG 3.7Å; F360-P423 WeakPolarHBondContact CD1-O 3.48Å; F360-P423 HydrophobicContact CE1-CB 4.06Å; F360-P423 HydrophobicContact CE1-CG 3.74Å; F360-P424 WeakPolarHBondContact CD1-O 3.35Å; F360-P424 WeakPolarHBondContact CE1-O 3.28Å; F360-L425 HydrophobicContact CB-CD2 3.35Å; F360-L425 HydrophobicContact CB-CG 4.1Å; F360-L425 HydrophobicContact CD2-CD2 4.49Å; F360-L425 HydrophobicContact CG-CD2 3.95Å; F360-L426 HydrophobicContact CE1-CG 4.29Å
361A58.8Low78Confident13 Ų1339.5 Ų39.511%0.10721%0.213CC..PPolyproline II helixtrans-84.1122.9-176.900000112.1N418 I497A361-N418 HydrophobicContact CB-CB 3.74Å; A361-N418 WeakPolarHBondContact CB-ND2 3.41Å; A361-I497 HydrophobicContact CB-CG2 3.82Å
362P59.7Low78.1Confident20 Ų2037.5 Ų37.513%0.1320%0.203CC..PPolyproline II helixtrans-70.8153.1170.830.4-33.6000110.6F360 Q495F360-P362 WeakPolarHBondContact O-CD 3.26Å; P362-Q495 VanDerWaalsContact CG-NE2 3.35Å
363K62.6Low78.5Confident69 Ų6934 Ų3430%0.318%0.181SC..PPolyproline II helixtrans-72.4154.8171.5-80.9-165.2170.9-1680111.5D409 F411K363-D409 WeakPolarHBondContact CD-O 3.46Å; K363-D409 WeakPolarHBondContact CE-O 3.48Å; K363-D409 PolarHBondContact NZ-O 3.28Å; K363-D409 IonicContact NZ-OD1 2.84Å; K363-D409 PolarHBondContact NZ-OD1 2.9Å; K363-D409 IonicContact NZ-OD2 3.32Å; K363-F411 WeakPolarHBondContact CE-O 3.34Å; K363-F411 PolarHBondContact NZ-O 3.31Å
364S58.7Low78.9Confident64 Ų6433.8 Ų33.845%0.44818%0.179SC..PPolyproline II helixtrans-101116.2-178.2-169.80000109.9H366S364-H366 PolarHBondContact OG-CE1 3.06Å
365T54.4Low79.4Confident9 Ų926.7 Ų26.76%0.05515%0.146CC..  trans-123.4158.5-177.567.60000111.5N388 D410 G462T365-N388 WeakPolarHBondContact CB-OD1 3.21Å; T365-N388 WeakPolarHBondContact CG2-OD1 3.33Å; T365-D410 WeakPolarHBondContact CG2-OD1 3.31Å; T365-G462 WeakPolarHBondContact O-CA 3.46Å; T365-G462 PolarHBondContact O-N 2.82Å; T365-G462 WeakPolarHBondContact OG1-CA 3.42Å
366H65.6Low79.6Confident49 Ų4926.9 Ų26.923%0.22716%0.156CC..  trans-145.9-29.2-167.6-60.576.3000115.7S364 T368 N388 Y390S364-H366 PolarHBondContact OG-CE1 3.06Å; H366-T368 PolarHBondContact O-N 2.7Å; H366-T368 VanDerWaalsContact O-N 3.13Å; H366-N388 PolarHBondContact N-O 3.01Å; H366-Y390 HydrophobicContact CB-CD2 4.18Å; H366-Y390 HydrophobicContact CB-CE1 4.11Å; H366-Y390 HydrophobicContact CB-CE2 3.67Å; H366-Y390 WeakPolarHBondContact O-CE1 3.31Å
367G72.4Confident79.9Confident0 Ų030 Ų300%017%0.172CC..EExtended strand (participates in β ladder)trans-8474.6178.700000111.6S62 T386 I387 N388S62-G367 CarbonylContact O-C 3.57Å; G367-T386 PolarHBondContact O-OG1 2.89Å; G367-I387 PolarHBondContact O-N 3.09Å; G367-N388 CarbonylContact C-O 3.39Å; G367-N388 WeakPolarHBondContact CA-O 3.42Å; G367-N388 PolarHBondContact N-O 3.25Å; G367-N388 PolarHBondContact O-N 2.79Å
368T90.5Very high80.8Confident4 Ų429.1 Ų29.13%0.02516%0.163CC..EExtended strand (participates in β ladder)trans-132.5149.5178.8-51.90000109.5S62 H366 T384 S385 T386 M440 A460 I465S62-T368 WeakPolarHBondContact CB-O 3.41Å; H366-T368 PolarHBondContact O-N 2.7Å; H366-T368 VanDerWaalsContact O-N 3.13Å; T368-T384 HydrophobicContact CG2-CG2 3.35Å; T368-S385 CarbonylContact C-O 3.18Å; T368-S385 WeakPolarHBondContact CA-O 3.48Å; T368-S385 WeakPolarHBondContact CG2-O 3.47Å; T368-T386 PolarHBondContact OG1-OG1 2.94Å; T368-M440 HydrophobicContact CG2-CG 4.39Å; T368-A460 HydrophobicContact CG2-CB 4Å; T368-A460 WeakPolarHBondContact O-CB 3.26Å; T368-I465 HydrophobicContact CG2-CD1 4.05Å
369A94.8Very high82.2Confident1 Ų123.2 Ų23.21%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-131.8149.7170.300000111D26 I55 T384 S385D26-A369 VanDerWaalsContact OD2-CA 3.25Å; D26-A369 WeakPolarHBondContact OD2-CA 3.31Å; I55-A369 HydrophobicContact CG2-CB 3.44Å; I55-A369 VanDerWaalsContact CG2-CB 3.44Å; A369-T384 WeakPolarHBondContact O-CA 3.09Å; A369-S385 PolarHBondContact N-O 3.06Å; A369-S385 PolarHBondContact O-N 3.06Å
370H97.7Very high84Confident0 Ų022.4 Ų22.40%013%0.129CC..EExtended strand (participates in β ladder)trans-125.3150.8177.1-17363.7000112D26 L383 T384 G458 T532D26-H370 PolarHBondContact N-O 2.85Å; D26-H370 PolarHBondContact OD2-N 2.87Å; H370-L383 PolarHBondContact CE1-O 3.35Å; H370-L383 PolarHBondContact ND1-O 3.1Å; H370-T384 PolarHBondContact ND1-OG1 3.48Å; H370-G458 WeakPolarHBondContact CD2-CA 3.2Å; H370-G458 PolarHBondContact CD2-N 2.92Å; H370-G458 PolarHBondContact CD2-O 3.38Å; H370-G458 VanDerWaalsContact CE1-CA 3.49Å; H370-G458 WeakPolarHBondContact CE1-CA 3.43Å; H370-G458 WeakPolarHBondContact NE2-CA 3.46Å; H370-G458 PolarHBondContact NE2-N 2.76Å; H370-T532 PolarHBondContact CD2-OG1 2.9Å
371L98.6Very high85.7Confident1 Ų120.8 Ų20.81%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-144150.2169.572.298.1000111.5A24 A25 A48 T51 T52 I55 V373 L383A24-L371 CarbonylContact O-C 3.6Å; A24-L371 VanDerWaalsContact O-CA 3.27Å; A24-L371 WeakPolarHBondContact O-CA 3.31Å; A25-L371 HydrophobicContact CB-CB 4.11Å; A48-L371 HydrophobicContact CB-CD1 3.99Å; T51-L371 HydrophobicContact CG2-CB 4.13Å; T51-L371 HydrophobicContact CG2-CD1 4.41Å; T51-L371 HydrophobicContact CG2-CD2 3.88Å; T51-L371 HydrophobicContact CG2-CG 4.36Å; T52-L371 WeakPolarHBondContact OG1-CD2 3.29Å; I55-L371 HydrophobicContact CD1-CB 4.03Å; I55-L371 HydrophobicContact CD1-CD2 3.69Å; I55-L371 HydrophobicContact CD1-CG 4.49Å; L371-V373 HydrophobicContact CD1-CG2 3.78Å; L371-L383 HydrophobicContact CD1-CB 4.22Å; L371-L383 HydrophobicContact CD2-CB 4.36Å; L371-L383 HydrophobicContact CD2-CD2 3.93Å; L371-L383 HydrophobicContact CG-CB 4.06Å; L371-L383 HydrophobicContact CG-CD2 4.42Å; L371-L383 PolarHBondContact N-O 3.11Å; L371-L383 PolarHBondContact O-N 3.04Å
372G98.7Very high87.6Confident0 Ų020.1 Ų20.10%012%0.117CC..EExtended strand (participates in β ladder)trans-124.4144169.900000110.9V23 A24 V381 T532 I534V23-G372 WeakPolarHBondContact CA-O 3.37Å; A24-G372 PolarHBondContact N-O 2.75Å; A24-G372 PolarHBondContact O-N 3.08Å; G372-V381 CarbonylContact C-O 3.43Å; G372-V381 WeakPolarHBondContact CA-O 3.38Å; G372-T532 PolarHBondContact N-OG1 2.78Å; G372-I534 WeakPolarHBondContact O-CD1 3.34Å
373V98.9Very high89.5Confident0 Ų019.4 Ų19.40%011%0.111CC..EExtended strand (participates in β ladder)trans-133.8139175.3-176.10000109.7A22 V23 L38 A44 A48 L371 A380 V381A22-V373 WeakPolarHBondContact O-CA 3.35Å; V23-V373 HydrophobicContact CG1-CG2 4.22Å; V23-V373 HydrophobicContact CG2-CG1 4.23Å; V23-V373 HydrophobicContact CG2-CG2 4.32Å; L38-V373 HydrophobicContact CD1-CG1 4.15Å; A44-V373 HydrophobicContact CB-CB 4.44Å; A44-V373 HydrophobicContact CB-CG1 3.86Å; A48-V373 HydrophobicContact CB-CG2 4Å; L371-V373 HydrophobicContact CD1-CG2 3.78Å; V373-A380 CarbonylContact O-C 3.54Å; V373-A380 WeakPolarHBondContact O-CA 3.49Å; V373-A380 WeakPolarHBondContact O-CB 3.37Å; V373-V381 HydrophobicContact CB-CB 4.41Å; V373-V381 PolarHBondContact N-O 2.82Å; V373-V381 PolarHBondContact O-N 3.4Å
374L98.9Very high91.2Very high7 Ų716.1 Ų16.14%0.03710%0.097CC..EExtended strand (participates in β ladder)trans-130.7120.9166.4178.267.8000108.2A21 A22 N379 A380 V453 I534 V536 I542A21-L374 VanDerWaalsContact CA-O 3.29Å; A21-L374 WeakPolarHBondContact CA-O 3.39Å; A21-L374 WeakPolarHBondContact CB-O 3.14Å; A22-L374 PolarHBondContact N-O 3.3Å; A22-L374 PolarHBondContact O-N 3.02Å; L374-N379 WeakPolarHBondContact CA-O 3.15Å; L374-A380 HydrophobicContact CD1-CB 4.18Å; L374-V453 HydrophobicContact CD1-CB 3.98Å; L374-V453 HydrophobicContact CD1-CG1 4.23Å; L374-V453 HydrophobicContact CD1-CG2 3.98Å; L374-I534 HydrophobicContact CB-CD1 4.29Å; L374-I534 HydrophobicContact CB-CG2 4.14Å; L374-I534 HydrophobicContact CD2-CG2 4.13Å; L374-V536 HydrophobicContact CD2-CG2 3.45Å; L374-V536 VanDerWaalsContact CD2-CG2 3.45Å; L374-I542 HydrophobicContact CD2-CD1 3.86Å; L374-I542 HydrophobicContact CD2-CG1 3.97Å; L374-I542 HydrophobicContact CD2-CG2 4.06Å
375D98.8Very high93.1Very high5 Ų513.2 Ų13.23%0.0278%0.077CC..  trans-92.3171.8177.373.723.2000113.2L38 A44 E377 G378 N379L38-D375 HydrophobicContact CD2-CB 3.76Å; A44-D375 HydrophobicContact CB-CB 3.91Å; A44-D375 WeakPolarHBondContact CB-OD2 3.33Å; A44-D375 PolarHBondContact N-OD2 3.43Å; D375-E377 PolarHBondContact O-N 3.16Å; D375-E377 WeakPolarHBondContact OD1-CA 3.46Å; D375-E377 WeakPolarHBondContact OD1-CB 3.32Å; D375-E377 PolarHBondContact OD1-N 3.41Å; D375-G378 WeakPolarHBondContact O-CA 3.5Å; D375-G378 PolarHBondContact O-N 3.17Å; D375-G378 PolarHBondContact OD1-N 2.77Å; D375-N379 PolarHBondContact N-O 3.15Å; D375-N379 PolarHBondContact OD1-N 3.2Å; D375-N379 PolarHBondContact OD1-ND2 3.03Å; D375-N379 WeakPolarHBondContact OD2-CB 3.29Å; D375-N379 PolarHBondContact OD2-ND2 3.5Å
376S97.9Very high95.1Very high79 Ų7912.9 Ų12.955%0.5528%0.075SC*.THydrogen-bonded Turntrans-70.1-13.7-178.857.50000114.7H20 G378H20-S376 VanDerWaalsContact O-CA 3.26Å; H20-S376 WeakPolarHBondContact O-CA 3.5Å; S376-G378 VanDerWaalsContact C-N 3.29Å
377E97.7Very high96.6Very high83 Ų8310.6 Ų10.639%0.3886%0.064SC..THydrogen-bonded Turntrans-87.6-4.1170-61-160.4159.800112.1R76 K77 D375R76-E377 WeakPolarHBondContact CD-O 3.4Å; K77-E377 IonicContact NZ-OE1 3.54Å; K77-E377 PolarHBondContact NZ-OE1 3.05Å; K77-E377 IonicContact NZ-OE2 3.47Å; K77-E377 PolarHBondContact NZ-OE2 2.8Å; D375-E377 PolarHBondContact O-N 3.16Å; D375-E377 WeakPolarHBondContact OD1-CA 3.46Å; D375-E377 WeakPolarHBondContact OD1-CB 3.32Å; D375-E377 PolarHBondContact OD1-N 3.41Å
378G98.2Very high97.7Very high15 Ų1510.6 Ų10.616%0.1556%0.064CC..SBendtrans78.814.8-177.200000114R76 D375 S376R76-G378 VanDerWaalsContact CB-O 3.31Å; R76-G378 WeakPolarHBondContact CB-O 3.42Å; D375-G378 WeakPolarHBondContact O-CA 3.5Å; D375-G378 PolarHBondContact O-N 3.17Å; D375-G378 PolarHBondContact OD1-N 2.77Å; S376-G378 VanDerWaalsContact C-N 3.29Å
379N98.8Very high97.9Very high14 Ų1411.8 Ų11.88%0.0757%0.07CC..  trans-72.4149166.8-46.2-61.1000109.1A44 Y74 R76 L374 D375A44-N379 HydrophobicContact CB-CB 4.12Å; Y74-N379 VanDerWaalsContact O-CA 3.26Å; Y74-N379 WeakPolarHBondContact O-CA 3.27Å; Y74-N379 WeakPolarHBondContact O-CB 3.37Å; R76-N379 PolarHBondContact N-OD1 3.41Å; L374-N379 WeakPolarHBondContact CA-O 3.15Å; D375-N379 PolarHBondContact N-O 3.15Å; D375-N379 PolarHBondContact OD1-N 3.2Å; D375-N379 PolarHBondContact OD1-ND2 3.03Å; D375-N379 WeakPolarHBondContact OD2-CB 3.29Å; D375-N379 PolarHBondContact OD2-ND2 3.5Å
380A98.9Very high97.9Very high0 Ų013.3 Ų13.30%08%0.076CC..EExtended strand (participates in β ladder)trans-134.515218000000112.3I73 Y74 V373 L374 V444 V453 V456I73-A380 CarbonylContact C-O 3.56Å; I73-A380 WeakPolarHBondContact CA-O 3.46Å; Y74-A380 PolarHBondContact N-O 3.17Å; Y74-A380 PolarHBondContact O-N 2.85Å; V373-A380 CarbonylContact O-C 3.54Å; V373-A380 WeakPolarHBondContact O-CA 3.49Å; V373-A380 WeakPolarHBondContact O-CB 3.37Å; L374-A380 HydrophobicContact CD1-CB 4.18Å; A380-V444 HydrophobicContact CB-CG1 4.33Å; A380-V444 HydrophobicContact CB-CG2 4.21Å; A380-V453 HydrophobicContact CB-CG1 4.39Å; A380-V453 HydrophobicContact CB-CG2 3.89Å; A380-V456 HydrophobicContact CB-CG2 3.62Å
381V99Very high97.8Very high3 Ų313.3 Ų13.32%0.0188%0.076CC..EExtended strand (participates in β ladder)trans-132.1126.5171.2-178.30000108.8A44 V45 A48 V72 I73 G372 V373 L383 V456A44-V381 HydrophobicContact CB-CG2 4Å; V45-V381 HydrophobicContact CG2-CG2 3.93Å; A48-V381 HydrophobicContact CB-CB 3.92Å; A48-V381 HydrophobicContact CB-CG1 3.67Å; A48-V381 HydrophobicContact CB-CG2 4.23Å; V72-V381 WeakPolarHBondContact O-CA 3.4Å; I73-V381 HydrophobicContact CG1-CG2 4.17Å; I73-V381 HydrophobicContact CG2-CG2 4.32Å; G372-V381 CarbonylContact C-O 3.43Å; G372-V381 WeakPolarHBondContact CA-O 3.38Å; V373-V381 HydrophobicContact CB-CB 4.41Å; V373-V381 PolarHBondContact N-O 2.82Å; V373-V381 PolarHBondContact O-N 3.4Å; V381-L383 HydrophobicContact CG1-CB 4.22Å; V381-V456 WeakPolarHBondContact O-CG1 3.38Å
382A98.9Very high97.7Very high0 Ų013.2 Ų13.20%08%0.076CC..EExtended strand (participates in β ladder)trans-107.7126.7161.100000107.6S71 V72 P442 V444 V456S71-A382 CarbonylContact C-O 3.4Å; S71-A382 WeakPolarHBondContact CA-O 3.31Å; S71-A382 WeakPolarHBondContact CB-O 3.49Å; V72-A382 HydrophobicContact CG1-CB 3.98Å; V72-A382 PolarHBondContact N-O 3.43Å; V72-A382 PolarHBondContact O-N 3.34Å; A382-P442 HydrophobicContact CB-CB 3.71Å; A382-P442 WeakPolarHBondContact O-CB 3.39Å; A382-V444 HydrophobicContact CB-CG2 4.16Å; A382-V456 HydrophobicContact CB-CG1 3.83Å
383L98.8Very high97.6Very high4 Ų413.2 Ų13.22%0.0218%0.076CC..EExtended strand (participates in β ladder)trans-136128.8-176.6-178.1160.1000110.4T52 H69 F70 L122 H370 L371 V381T52-L383 HydrophobicContact CG2-CD2 4.17Å; T52-L383 WeakPolarHBondContact OG1-CD1 3.35Å; H69-L383 HydrophobicContact CB-CD2 4.13Å; H69-L383 HydrophobicContact CB-CG 4.4Å; F70-L383 WeakPolarHBondContact O-CA 3.46Å; L122-L383 HydrophobicContact CD2-CD1 4.17Å; H370-L383 PolarHBondContact CE1-O 3.35Å; H370-L383 PolarHBondContact ND1-O 3.1Å; L371-L383 HydrophobicContact CD1-CB 4.22Å; L371-L383 HydrophobicContact CD2-CB 4.36Å; L371-L383 HydrophobicContact CD2-CD2 3.93Å; L371-L383 HydrophobicContact CG-CB 4.06Å; L371-L383 HydrophobicContact CG-CD2 4.42Å; L371-L383 PolarHBondContact N-O 3.11Å; L371-L383 PolarHBondContact O-N 3.04Å; V381-L383 HydrophobicContact CG1-CB 4.22Å
384T98.5Very high97.5Very high0 Ų014.2 Ų14.20%08%0.08CC..EExtended strand (participates in β ladder)trans-117.8121.3173.6-51.10000108.7H69 F70 T368 A369 H370 M440H69-T384 WeakPolarHBondContact CA-O 3.24Å; H69-T384 WeakPolarHBondContact CB-O 3.5Å; F70-T384 PolarHBondContact N-O 2.74Å; F70-T384 PolarHBondContact O-N 3.11Å; T368-T384 HydrophobicContact CG2-CG2 3.35Å; A369-T384 WeakPolarHBondContact O-CA 3.09Å; H370-T384 PolarHBondContact ND1-OG1 3.48Å; T384-M440 HydrophobicContact CG2-CB 3.98Å; T384-M440 HydrophobicContact CG2-CG 3.54Å; T384-M440 HydrophobicContact CG2-SD 3.79Å
385S98.1Very high97.3Very high3 Ų315.8 Ų15.82%0.0219%0.088CC..EExtended strand (participates in β ladder)trans-114.6147.5-177.8168.50000110.3S63 E118 T368 A369S63-S385 WeakPolarHBondContact CB-OG 3.34Å; S63-S385 WeakPolarHBondContact OG-CB 3.24Å; S63-S385 PolarHBondContact OG-OG 3.45Å; E118-S385 WeakPolarHBondContact OE2-CB 3.24Å; E118-S385 PolarHBondContact OE2-OG 3.49Å; T368-S385 CarbonylContact C-O 3.18Å; T368-S385 WeakPolarHBondContact CA-O 3.48Å; T368-S385 WeakPolarHBondContact CG2-O 3.47Å; A369-S385 PolarHBondContact N-O 3.06Å; A369-S385 PolarHBondContact O-N 3.06Å
386T97.6Very high97.3Very high3 Ų316.7 Ų16.72%0.0189%0.091CC..EExtended strand (participates in β ladder)trans-153.6148.5-177.2-165.90000112.5S62 G67 G68 G367 T368 N388 M440S62-T386 WeakPolarHBondContact O-CA 3.4Å; G67-T386 WeakPolarHBondContact CA-O 3.04Å; G68-T386 PolarHBondContact N-O 3.41Å; G68-T386 VanDerWaalsContact N-O 3.08Å; G68-T386 PolarHBondContact O-N 3.46Å; G367-T386 PolarHBondContact O-OG1 2.89Å; T368-T386 PolarHBondContact OG1-OG1 2.94Å; T386-N388 WeakPolarHBondContact OG1-CA 3.27Å; T386-N388 PolarHBondContact OG1-N 2.86Å; T386-M440 HydrophobicContact CG2-CE 3.56Å; T386-M440 HydrophobicContact CG2-SD 3.74Å
387I97.3Very high97.2Very high0 Ų013 Ų130%07%0.065CC..EExtended strand (participates in β ladder)trans-107.320.1158.455.5175000111.3A60 S62 G367 L389 G392 I403 N405 D406A60-I387 WeakPolarHBondContact O-CD1 3.41Å; S62-I387 PolarHBondContact O-N 3.13Å; G367-I387 PolarHBondContact O-N 3.09Å; I387-L389 PolarHBondContact O-N 2.85Å; I387-G392 VanDerWaalsContact O-CA 3.28Å; I387-G392 WeakPolarHBondContact O-CA 3.21Å; I387-I403 HydrophobicContact CD1-CG2 3.75Å; I387-N405 HydrophobicContact CB-CB 4.24Å; I387-N405 WeakPolarHBondContact O-CA 3.43Å; I387-D406 PolarHBondContact O-N 2.84Å
388N95.5Very high97.1Very high0 Ų013.8 Ų13.80%06%0.064CC..EExtended strand (participates in β ladder)trans69.7-89.1-174.1179.633000116.2T365 H366 G367 T386 D406 D409T365-N388 WeakPolarHBondContact CB-OD1 3.21Å; T365-N388 WeakPolarHBondContact CG2-OD1 3.33Å; H366-N388 PolarHBondContact N-O 3.01Å; G367-N388 CarbonylContact C-O 3.39Å; G367-N388 WeakPolarHBondContact CA-O 3.42Å; G367-N388 PolarHBondContact N-O 3.25Å; G367-N388 PolarHBondContact O-N 2.79Å; T386-N388 WeakPolarHBondContact OG1-CA 3.27Å; T386-N388 PolarHBondContact OG1-N 2.86Å; N388-D406 WeakPolarHBondContact CB-OD1 3.26Å; N388-D406 PolarHBondContact ND2-O 2.9Å; N388-D406 PolarHBondContact ND2-OD1 3.18Å; N388-D409 WeakPolarHBondContact ND2-CB 3.22Å
389L94Very high97Very high29 Ų2918.3 Ų18.315%0.1528%0.079CC..SBendtrans-89.9171.4176.6-64.9-174.3000111.6I107 I387 F391 G392 D406I107-L389 HydrophobicContact CG2-CD1 3.7Å; I387-L389 PolarHBondContact O-N 2.85Å; L389-F391 PolarHBondContact O-N 3.49Å; L389-F391 VanDerWaalsContact O-N 3.12Å; L389-G392 PolarHBondContact O-N 3.21Å; L389-D406 WeakPolarHBondContact CB-OD2 3.45Å; L389-D406 WeakPolarHBondContact CD1-OD2 3.47Å; L389-D406 WeakPolarHBondContact CG-OD2 3.44Å; L389-D406 PolarHBondContact N-OD1 2.85Å
390Y94.8Very high96.9Very high33 Ų3318.4 Ų18.413%0.1298%0.079CC..THydrogen-bonded Turntrans-59.1121.7180-67-51.6000110.3H61 K159 L162 H366 G392 K394H61-Y390 AromaticContact CD2-CD1 3.84Å; H61-Y390 CarbonylContact O-C 3.53Å; H61-Y390 WeakPolarHBondContact O-CA 3.46Å; K159-Y390 HydrophobicContact CD-CD1 4.24Å; K159-Y390 HydrophobicContact CD-CD2 4.31Å; K159-Y390 HydrophobicContact CD-CE1 3.86Å; K159-Y390 HydrophobicContact CD-CE2 3.94Å; K159-Y390 HydrophobicContact CD-CG 4.46Å; K159-Y390 VanDerWaalsContact CE-OH 3.24Å; K159-Y390 WeakPolarHBondContact CE-OH 3.34Å; K159-Y390 HydrophobicContact CG-CD1 4.05Å; K159-Y390 HydrophobicContact CG-CE1 3.96Å; K159-Y390 HydrophobicContact CG-CG 4.47Å; K159-Y390 PolarHBondContact NZ-OH 3.37Å; L162-Y390 HydrophobicContact CD2-CD2 4.03Å; L162-Y390 HydrophobicContact CD2-CE2 3.94Å; H366-Y390 HydrophobicContact CB-CD2 4.18Å; H366-Y390 HydrophobicContact CB-CE1 4.11Å; H366-Y390 HydrophobicContact CB-CE2 3.67Å; H366-Y390 WeakPolarHBondContact O-CE1 3.31Å; Y390-G392 PolarHBondContact O-N 2.73Å; Y390-K394 PolarHBondContact O-NZ 3.47Å
391F96.8Very high96.8Very high0 Ų018.5 Ų18.50%08%0.079CC..THydrogen-bonded Turntrans60.122.6-172.3-49.3-80000114.9H61 L156 K159 L160 N163 L174 F177 L389 S393 K394 I403H61-F391 HydrophobicContact CB-CD1 4.18Å; H61-F391 HydrophobicContact CB-CD2 4.31Å; H61-F391 HydrophobicContact CB-CE1 3.67Å; H61-F391 HydrophobicContact CB-CE2 3.81Å; H61-F391 HydrophobicContact CB-CG 4.46Å; H61-F391 HydrophobicContact CB-CZ 3.44Å; H61-F391 VanDerWaalsContact CB-CZ 3.44Å; H61-F391 PolarHBondContact O-N 2.79Å; L156-F391 HydrophobicContact CD1-CE1 4.32Å; L156-F391 HydrophobicContact CD1-CZ 4.24Å; K159-F391 HydrophobicContact CB-CE2 4.27Å; L160-F391 HydrophobicContact CD2-CE1 3.98Å; L160-F391 HydrophobicContact CD2-CE2 4.33Å; L160-F391 HydrophobicContact CD2-CZ 3.46Å; L160-F391 VanDerWaalsContact CD2-CZ 3.46Å; L160-F391 HydrophobicContact CG-CZ 4.24Å; N163-F391 HydrophobicContact CB-CD2 4.13Å; N163-F391 HydrophobicContact CB-CE2 4.09Å; L174-F391 HydrophobicContact CD1-CB 3.87Å; L174-F391 HydrophobicContact CD1-CG 4.17Å; F177-F391 HydrophobicContact CD2-CE1 4.24Å; F177-F391 AromaticContact CE2-CD1 3.98Å; F177-F391 HydrophobicContact CE2-CD1 3.98Å; F177-F391 AromaticContact CE2-CE1 3.74Å; F177-F391 HydrophobicContact CE2-CE1 3.74Å; F177-F391 HydrophobicContact CZ-CD1 4.39Å; F177-F391 AromaticContact CZ-CE1 3.93Å; F177-F391 HydrophobicContact CZ-CE1 3.93Å; L389-F391 PolarHBondContact O-N 3.49Å; L389-F391 VanDerWaalsContact O-N 3.12Å; F391-S393 PolarHBondContact O-N 3.1Å; F391-K394 HydrophobicContact CB-CD 4.13Å; F391-K394 WeakPolarHBondContact O-CA 3.45Å; F391-K394 PolarHBondContact O-N 2.94Å; F391-I403 HydrophobicContact CB-CG2 4.47Å; F391-I403 HydrophobicContact CD1-CD1 4.13Å; F391-I403 WeakPolarHBondContact O-CG2 3.4Å
392G96.4Very high96.8Very high0 Ų018.5 Ų18.50%08%0.079CC..THydrogen-bonded Turntrans49.2-127.1176.500000113.6I387 L389 Y390 K394 D406I387-G392 VanDerWaalsContact O-CA 3.28Å; I387-G392 WeakPolarHBondContact O-CA 3.21Å; L389-G392 PolarHBondContact O-N 3.21Å; Y390-G392 PolarHBondContact O-N 2.73Å; G392-K394 PolarHBondContact O-N 3.25Å; G392-D406 WeakPolarHBondContact CA-OD1 3.48Å
393S96.4Very high96.8Very high0 Ų019.1 Ų19.10%08%0.082CC..THydrogen-bonded Turntrans-64.8-3179.2620000115.2G109 S112 F391 M395 W404 N405G109-S393 PolarHBondContact N-O 3.01Å; S112-S393 WeakPolarHBondContact OG-CB 3.38Å; F391-S393 PolarHBondContact O-N 3.1Å; S393-M395 PolarHBondContact O-N 3.07Å; S393-M395 WeakPolarHBondContact OG-CB 3.29Å; S393-M395 PolarHBondContact OG-N 2.99Å; S393-W404 PolarHBondContact N-O 2.89Å; S393-W404 PolarHBondContact OG-O 2.69Å; S393-N405 WeakPolarHBondContact CB-O 3.39Å
394K95.7Very high96.8Very high20 Ų2018.9 Ų18.99%0.0878%0.081CC..SBendtrans61.87.8-164.5-45.4-57.7-174-163.70114.3F108 N163 Y166 L174 Y390 F391 G392F108-K394 HydrophobicContact CD1-CG 3.73Å; F108-K394 HydrophobicContact CE1-CG 4.03Å; N163-K394 PolarHBondContact OD1-NZ 2.84Å; Y166-K394 HydrophobicContact CD1-CG 4.49Å; L174-K394 HydrophobicContact CD1-CB 4.14Å; L174-K394 HydrophobicContact CD1-CD 4.17Å; Y390-K394 PolarHBondContact O-NZ 3.47Å; F391-K394 HydrophobicContact CB-CD 4.13Å; F391-K394 WeakPolarHBondContact O-CA 3.45Å; F391-K394 PolarHBondContact O-N 2.94Å; G392-K394 PolarHBondContact O-N 3.25Å
395M96.2Very high96.8Very high40 Ų4018.9 Ų18.920%0.1978%0.081CC..  trans-96.7143.2175.3-59.3-61.6124.100110I113 Y230 S393 W404I113-M395 HydrophobicContact CD1-CB 4.48Å; Y230-M395 HydrophobicContact CD1-SD 3.92Å; Y230-M395 HydrophobicContact CD2-CB 3.81Å; Y230-M395 HydrophobicContact CD2-CG 4Å; Y230-M395 HydrophobicContact CD2-SD 4.12Å; Y230-M395 HydrophobicContact CE1-SD 4.41Å; Y230-M395 HydrophobicContact CE2-CB 4.18Å; Y230-M395 HydrophobicContact CG-CB 4.38Å; Y230-M395 HydrophobicContact CG-CG 4.06Å; Y230-M395 HydrophobicContact CG-SD 3.76Å; S393-M395 PolarHBondContact O-N 3.07Å; S393-M395 WeakPolarHBondContact OG-CB 3.29Å; S393-M395 PolarHBondContact OG-N 2.99Å; M395-W404 PolarHBondContact O-N 3.48Å
396R97.2Very high96.7Very high25 Ų2518.8 Ų18.89%0.0948%0.08CC..BIsolated β-bridgetrans-133.3138.7177.2-174.4-164.176.784.85.3108.7Q173 L174 Y230 R398 D401 I402 I403Q173-R396 HydrophobicContact CB-CB 3.88Å; Q173-R396 WeakPolarHBondContact O-CD 3.23Å; Q173-R396 PolarHBondContact O-NE 2.73Å; L174-R396 HydrophobicContact CD2-CB 4.2Å; Y230-R396 PolarHBondContact OH-O 2.76Å; Y230-R396 VanDerWaalsContact OH-O 3.08Å; R396-R398 PolarHBondContact O-N 2.85Å; R396-D401 WeakPolarHBondContact CD-OD1 3.43Å; R396-D401 IonicContact CZ-OD1 3.9Å; R396-D401 IonicContact NE-OD1 3.55Å; R396-D401 VanDerWaalsContact NH1-CA 3.29Å; R396-D401 VanDerWaalsContact NH1-CB 3.31Å; R396-D401 VanDerWaalsContact NH1-CG 3.29Å; R396-D401 IonicContact NH1-OD1 2.69Å; R396-D401 PolarHBondContact NH1-OD1 3.43Å; R396-I402 CarbonylContact C-O 3.22Å; R396-I402 WeakPolarHBondContact CA-O 3.24Å; R396-I403 HydrophobicContact CG-CG1 4.21Å
397S97.5Very high96.7Very high0 Ų018.6 Ų18.60%08%0.079CC..  trans-64124.9167.9174.60000109.6E226 K399 Y400 D401 I402E226-S397 WeakPolarHBondContact OE2-CA 3.37Å; E226-S397 WeakPolarHBondContact OE2-CB 3.5Å; E226-S397 PolarHBondContact OE2-OG 3.4Å; S397-K399 VanDerWaalsContact C-N 3.34Å; S397-K399 PolarHBondContact OG-N 2.74Å; S397-Y400 WeakPolarHBondContact OG-CD2 3.5Å; S397-Y400 PolarHBondContact OG-N 3.06Å; S397-Y400 VanDerWaalsContact OG-N 3.12Å; S397-D401 WeakPolarHBondContact O-CA 3.34Å; S397-D401 PolarHBondContact O-N 2.82Å; S397-I402 PolarHBondContact N-O 3.46Å
398R94.3Very high96.7Very high101 Ų10118.7 Ų18.738%0.3818%0.08SC..THydrogen-bonded Turntrans-67.6-39.7176.9-66.3171.6-68.2-116.47.8111.3E226 E229 Y230 R396E226-R398 VanDerWaalsContact CD-N 3.35Å; E226-R398 WeakPolarHBondContact OE1-CB 3.48Å; E226-R398 WeakPolarHBondContact OE1-CG 3.49Å; E226-R398 IonicContact OE1-CZ 3.46Å; E226-R398 PolarHBondContact OE1-N 3.34Å; E226-R398 IonicContact OE1-NE 3.78Å; E226-R398 PolarHBondContact OE1-NE 2.82Å; E226-R398 IonicContact OE1-NH2 2.69Å; E226-R398 PolarHBondContact OE1-NH2 2.62Å; E226-R398 PolarHBondContact OE2-N 2.8Å; E229-R398 IonicContact OE2-CZ 2.89Å; E229-R398 IonicContact OE2-NH2 2.72Å; E229-R398 PolarHBondContact OE2-NH2 3.07Å; Y230-R398 PolarHBondContact OH-NH1 3.15Å; R396-R398 PolarHBondContact O-N 2.85Å
399K95.3Very high96.7Very high109 Ų10919.2 Ų19.247%0.4748%0.082SC..THydrogen-bonded Turntrans-78.4-37.8-175.5-172172.8-175.9-174.70113.1E222 S397E222-K399 IonicContact OE1-NZ 3.15Å; E222-K399 PolarHBondContact OE1-NZ 2.68Å; E222-K399 IonicContact OE2-NZ 3.71Å; E222-K399 PolarHBondContact OE2-NZ 3.41Å; S397-K399 VanDerWaalsContact C-N 3.34Å; S397-K399 PolarHBondContact OG-N 2.74Å
400Y97.8Very high96.6Very high17 Ų1718.5 Ų18.57%0.0678%0.079CC..THydrogen-bonded Turntrans-113.6-6.3-171.2-57.8-66.3000114.1L200 M219 E222 M223 S397 I402L200-Y400 HydrophobicContact CD1-CD1 4.13Å; M219-Y400 WeakPolarHBondContact CA-OH 3.17Å; M219-Y400 HydrophobicContact CE-CE1 4.01Å; M219-Y400 HydrophobicContact CG-CE1 3.82Å; M219-Y400 HydrophobicContact CG-CE2 4.06Å; M219-Y400 WeakPolarHBondContact CG-OH 3.42Å; M219-Y400 HydrophobicContact SD-CE1 4.41Å; E222-Y400 HydrophobicContact CB-CE2 4.23Å; E222-Y400 PolarHBondContact OE2-OH 3.4Å; M223-Y400 HydrophobicContact CG-CD2 3.45Å; M223-Y400 VanDerWaalsContact CG-CD2 3.45Å; M223-Y400 HydrophobicContact CG-CE2 3.47Å; M223-Y400 VanDerWaalsContact CG-CE2 3.47Å; M223-Y400 HydrophobicContact SD-CD2 4.11Å; M223-Y400 HydrophobicContact SD-CE2 4.43Å; S397-Y400 WeakPolarHBondContact OG-CD2 3.5Å; S397-Y400 PolarHBondContact OG-N 3.06Å; S397-Y400 VanDerWaalsContact OG-N 3.12Å; Y400-I402 PolarHBondContact O-N 3.29Å
401D97.8Very high96.6Very high1 Ų117 Ų171%0.0057%0.073CC..  trans58.734.1177.6-168.224.6000114R194 E196 L197 R396 S397R194-D401 WeakPolarHBondContact CB-OD2 3.23Å; R194-D401 IonicContact CZ-OD1 2.83Å; R194-D401 IonicContact CZ-OD2 3.76Å; R194-D401 VanDerWaalsContact CZ-OD2 3.32Å; R194-D401 IonicContact NE-OD1 3.79Å; R194-D401 IonicContact NE-OD2 3.51Å; R194-D401 PolarHBondContact NE-OD2 3.21Å; R194-D401 PolarHBondContact NH2-O 2.84Å; R194-D401 IonicContact NH2-OD1 2.75Å; R194-D401 PolarHBondContact NH2-OD1 3.49Å; R194-D401 IonicContact NH2-OD2 3.3Å; R194-D401 PolarHBondContact NH2-OD2 3.06Å; R194-D401 VanDerWaalsContact NH2-OD2 3.16Å; E196-D401 HydrophobicContact CB-CB 3.9Å; L197-D401 HydrophobicContact CB-CB 3.97Å; R396-D401 WeakPolarHBondContact CD-OD1 3.43Å; R396-D401 IonicContact CZ-OD1 3.9Å; R396-D401 IonicContact NE-OD1 3.55Å; R396-D401 VanDerWaalsContact NH1-CA 3.29Å; R396-D401 VanDerWaalsContact NH1-CB 3.31Å; R396-D401 VanDerWaalsContact NH1-CG 3.29Å; R396-D401 IonicContact NH1-OD1 2.69Å; R396-D401 PolarHBondContact NH1-OD1 3.43Å; S397-D401 WeakPolarHBondContact O-CA 3.34Å; S397-D401 PolarHBondContact O-N 2.82Å
402I98.4Very high96.3Very high4 Ų417.5 Ų17.52%0.0218%0.076CC..PPolyproline II helixtrans-89.5125.9174.8-55.4167.7000108.8I65 L200 F214 M223 R396 S397 Y400 W404I65-I402 HydrophobicContact CD1-CD1 4.22Å; I65-I402 HydrophobicContact CD1-CG1 4.09Å; I65-I402 HydrophobicContact CG1-CG1 4.3Å; I65-I402 HydrophobicContact CG1-CG2 4.15Å; L200-I402 HydrophobicContact CD2-CD1 3.71Å; L200-I402 HydrophobicContact CD2-CG1 3.62Å; F214-I402 HydrophobicContact CE2-CD1 3.61Å; F214-I402 HydrophobicContact CZ-CD1 3.94Å; M223-I402 HydrophobicContact SD-CD1 3.64Å; R396-I402 CarbonylContact C-O 3.22Å; R396-I402 WeakPolarHBondContact CA-O 3.24Å; S397-I402 PolarHBondContact N-O 3.46Å; Y400-I402 PolarHBondContact O-N 3.29Å; I402-W404 HydrophobicContact CB-CH2 3.99Å; I402-W404 HydrophobicContact CB-CZ2 4.06Å; I402-W404 HydrophobicContact CB-CZ3 4.21Å; I402-W404 HydrophobicContact CD1-CH2 3.65Å; I402-W404 HydrophobicContact CD1-CZ2 4.2Å; I402-W404 HydrophobicContact CD1-CZ3 4.28Å; I402-W404 HydrophobicContact CG1-CH2 4.45Å; I402-W404 HydrophobicContact CG2-CD2 4.12Å; I402-W404 HydrophobicContact CG2-CE3 3.69Å; I402-W404 HydrophobicContact CG2-CH2 3.8Å; I402-W404 HydrophobicContact CG2-CZ2 4.22Å; I402-W404 HydrophobicContact CG2-CZ3 3.49Å; I402-W404 VanDerWaalsContact CG2-CZ3 3.49Å
403I98.3Very high96Very high12 Ų1217.9 Ų17.96%0.0628%0.079CC..BIsolated β-bridgetrans-84125.9168.9-64.6164.8000108.1A60 G66 L174 F177 I387 F391 R396A60-I403 HydrophobicContact CB-CD1 3.92Å; A60-I403 VanDerWaalsContact O-CD1 3.27Å; A60-I403 WeakPolarHBondContact O-CD1 3.47Å; G66-I403 WeakPolarHBondContact CA-O 3.24Å; L174-I403 HydrophobicContact CD2-CG1 4.41Å; F177-I403 HydrophobicContact CE2-CD1 4.17Å; F177-I403 HydrophobicContact CZ-CD1 4Å; I387-I403 HydrophobicContact CD1-CG2 3.75Å; F391-I403 HydrophobicContact CB-CG2 4.47Å; F391-I403 HydrophobicContact CD1-CD1 4.13Å; F391-I403 WeakPolarHBondContact O-CG2 3.4Å; R396-I403 HydrophobicContact CG-CG1 4.21Å
404W98.3Very high95.6Very high0 Ų019 Ų190%09%0.087CC..PPolyproline II helixtrans-89.8134-176-58119.7000111.5I113 P116 F214 M223 M227 S393 M395 I402I113-W404 HydrophobicContact CD1-CB 3.62Å; I113-W404 HydrophobicContact CD1-CG 3.89Å; I113-W404 HydrophobicContact CG1-CB 3.87Å; I113-W404 HydrophobicContact CG2-CB 4.06Å; P116-W404 HydrophobicContact CG-CE3 3.87Å; P116-W404 HydrophobicContact CG-CZ3 3.75Å; F214-W404 HydrophobicContact CZ-CH2 4.45Å; F214-W404 HydrophobicContact CZ-CZ3 4.4Å; M223-W404 HydrophobicContact CB-CH2 4.42Å; M223-W404 HydrophobicContact CB-CZ2 4.39Å; M223-W404 HydrophobicContact CG-CH2 4.35Å; M223-W404 HydrophobicContact CG-CZ2 4.4Å; M223-W404 HydrophobicContact SD-CH2 3.77Å; M223-W404 HydrophobicContact SD-CZ2 4.35Å; M227-W404 HydrophobicContact CG-CD2 4.41Å; M227-W404 HydrophobicContact CG-CZ2 4.25Å; M227-W404 HydrophobicContact SD-CD2 4.11Å; M227-W404 HydrophobicContact SD-CE3 4.29Å; M227-W404 HydrophobicContact SD-CH2 4.42Å; M227-W404 HydrophobicContact SD-CZ2 4.24Å; M227-W404 HydrophobicContact SD-CZ3 4.45Å; S393-W404 PolarHBondContact N-O 2.89Å; S393-W404 PolarHBondContact OG-O 2.69Å; M395-W404 PolarHBondContact O-N 3.48Å; I402-W404 HydrophobicContact CB-CH2 3.99Å; I402-W404 HydrophobicContact CB-CZ2 4.06Å; I402-W404 HydrophobicContact CB-CZ3 4.21Å; I402-W404 HydrophobicContact CD1-CH2 3.65Å; I402-W404 HydrophobicContact CD1-CZ2 4.2Å; I402-W404 HydrophobicContact CD1-CZ3 4.28Å; I402-W404 HydrophobicContact CG1-CH2 4.45Å; I402-W404 HydrophobicContact CG2-CD2 4.12Å; I402-W404 HydrophobicContact CG2-CE3 3.69Å; I402-W404 HydrophobicContact CG2-CH2 3.8Å; I402-W404 HydrophobicContact CG2-CZ2 4.22Å; I402-W404 HydrophobicContact CG2-CZ3 3.49Å; I402-W404 VanDerWaalsContact CG2-CZ3 3.49Å
405N98.2Very high94.9Very high0 Ų021.6 Ų21.60%012%0.119CC..PPolyproline II helixtrans-56.2158.4174.87184.3000112.8G66 I113 A114 I387 S393 G407G66-N405 WeakPolarHBondContact O-CB 3.36Å; G66-N405 PolarHBondContact O-N 3.03Å; G66-N405 VanDerWaalsContact O-N 3.07Å; G66-N405 PolarHBondContact O-ND2 3.44Å; I113-N405 WeakPolarHBondContact CA-O 3.36Å; A114-N405 PolarHBondContact N-OD1 2.82Å; A114-N405 PolarHBondContact O-ND2 2.84Å; I387-N405 HydrophobicContact CB-CB 4.24Å; I387-N405 WeakPolarHBondContact O-CA 3.43Å; S393-N405 WeakPolarHBondContact CB-O 3.39Å; N405-G407 WeakPolarHBondContact OD1-CA 3.28Å; N405-G407 PolarHBondContact OD1-N 3.3Å
406D97.4Very high93.9Very high0 Ų023 Ų230%013%0.129CC..  trans-108.343.5160.962.9-31.3000110.9I107 S112 I387 N388 L389 G392 M408 D409I107-D406 VanDerWaalsContact O-CB 3.25Å; I107-D406 WeakPolarHBondContact O-CB 3.34Å; S112-D406 CarbonylContact O-C 3.56Å; S112-D406 VanDerWaalsContact O-CA 3.27Å; S112-D406 WeakPolarHBondContact O-CA 3.27Å; I387-D406 PolarHBondContact O-N 2.84Å; N388-D406 WeakPolarHBondContact CB-OD1 3.26Å; N388-D406 PolarHBondContact ND2-O 2.9Å; N388-D406 PolarHBondContact ND2-OD1 3.18Å; L389-D406 WeakPolarHBondContact CB-OD2 3.45Å; L389-D406 WeakPolarHBondContact CD1-OD2 3.47Å; L389-D406 WeakPolarHBondContact CG-OD2 3.44Å; L389-D406 PolarHBondContact N-OD1 2.85Å; G392-D406 WeakPolarHBondContact CA-OD1 3.48Å; D406-M408 PolarHBondContact O-N 3.02Å; D406-D409 VanDerWaalsContact O-CB 3.22Å; D406-D409 WeakPolarHBondContact O-CB 3.37Å; D406-D409 PolarHBondContact O-N 3.14Å
407G97Very high92.6Very high0 Ų027.1 Ų27.10%015%0.148CC..G310 helixtrans-63.8-21.2-173.800000114S112 N405 D409 D410 P436S112-G407 PolarHBondContact O-N 3.26Å; N405-G407 WeakPolarHBondContact OD1-CA 3.28Å; N405-G407 PolarHBondContact OD1-N 3.3Å; G407-D409 PolarHBondContact O-N 3.08Å; G407-D410 PolarHBondContact O-N 3.17Å; G407-D410 VanDerWaalsContact O-N 3.16Å; G407-P436 WeakPolarHBondContact O-CG 3.3Å
408M97.1Very high91.1Very high1 Ų129.6 Ų29.61%0.00516%0.161CC..G310 helixtrans-64-23171.4-65.3-62.6-71.100112.2A90 M98 F99 S112 A114 D406 D410 F411 I430A90-M408 HydrophobicContact CB-CE 4.08Å; A90-M408 HydrophobicContact CB-SD 3.89Å; M98-M408 HydrophobicContact SD-CE 3.9Å; F99-M408 HydrophobicContact CE2-CB 3.99Å; F99-M408 HydrophobicContact CE2-CE 4.46Å; F99-M408 HydrophobicContact CZ-CB 4.08Å; S112-M408 VanDerWaalsContact O-CB 3.25Å; S112-M408 WeakPolarHBondContact O-CB 3.11Å; S112-M408 WeakPolarHBondContact O-CG 3.25Å; S112-M408 PolarHBondContact O-N 3.07Å; A114-M408 HydrophobicContact CB-CG 4.02Å; A114-M408 HydrophobicContact CB-SD 4Å; D406-M408 PolarHBondContact O-N 3.02Å; M408-D410 PolarHBondContact O-N 3.32Å; M408-F411 HydrophobicContact CE-CD2 4.32Å; M408-F411 HydrophobicContact CE-CE2 4.37Å; M408-F411 PolarHBondContact O-N 3.01Å; M408-F411 HydrophobicContact SD-CD2 4.21Å; M408-F411 HydrophobicContact SD-CE2 3.94Å; M408-I430 HydrophobicContact CE-CD1 4.5Å; M408-I430 HydrophobicContact CE-CG2 3.94Å
409D94.9Very high88.6Confident11 Ų1134.8 Ų34.86%0.05918%0.182CC..G310 helixtrans-61.8-32.6174.8-167.647.7000111.3S106 I107 K363 N388 D406 G407 F411S106-D409 WeakPolarHBondContact O-CA 3.32Å; S106-D409 WeakPolarHBondContact O-CB 3.48Å; S106-D409 PolarHBondContact O-N 3.39Å; S106-D409 PolarHBondContact OG-OD1 3.32Å; I107-D409 WeakPolarHBondContact CG1-OD1 3.47Å; K363-D409 WeakPolarHBondContact CD-O 3.46Å; K363-D409 WeakPolarHBondContact CE-O 3.48Å; K363-D409 PolarHBondContact NZ-O 3.28Å; K363-D409 IonicContact NZ-OD1 2.84Å; K363-D409 PolarHBondContact NZ-OD1 2.9Å; K363-D409 IonicContact NZ-OD2 3.32Å; N388-D409 WeakPolarHBondContact ND2-CB 3.22Å; D406-D409 VanDerWaalsContact O-CB 3.22Å; D406-D409 WeakPolarHBondContact O-CB 3.37Å; D406-D409 PolarHBondContact O-N 3.14Å; G407-D409 PolarHBondContact O-N 3.08Å; D409-F411 PolarHBondContact O-N 2.98Å; D409-F411 VanDerWaalsContact O-O 3.12Å
410D93.3Very high86.1Confident15 Ų1533.4 Ų33.48%0.0818%0.176CC..G310 helixtrans-69.6-9.5-175.8-86.1-38.4000114.1R87 T365 G407 M408 N428 P436R87-D410 IonicContact CZ-OD2 3.48Å; R87-D410 IonicContact NH2-OD2 2.75Å; R87-D410 PolarHBondContact NH2-OD2 3.47Å; T365-D410 WeakPolarHBondContact CG2-OD1 3.31Å; G407-D410 PolarHBondContact O-N 3.17Å; G407-D410 VanDerWaalsContact O-N 3.16Å; M408-D410 PolarHBondContact O-N 3.32Å; D410-N428 PolarHBondContact O-ND2 2.85Å; D410-P436 HydrophobicContact CB-CB 3.59Å; D410-P436 HydrophobicContact CB-CG 4.03Å
411F94Very high84.3Confident1 Ų139.1 Ų39.10%0.00420%0.204CC..SBendtrans-73.6152.7169.4-70.3-70.6000112.6A90 K363 M408 D409 N428 I430 K434 P436A90-F411 HydrophobicContact CB-CE2 3.84Å; A90-F411 HydrophobicContact CB-CZ 3.99Å; K363-F411 WeakPolarHBondContact CE-O 3.34Å; K363-F411 PolarHBondContact NZ-O 3.31Å; M408-F411 HydrophobicContact CE-CD2 4.32Å; M408-F411 HydrophobicContact CE-CE2 4.37Å; M408-F411 PolarHBondContact O-N 3.01Å; M408-F411 HydrophobicContact SD-CD2 4.21Å; M408-F411 HydrophobicContact SD-CE2 3.94Å; D409-F411 PolarHBondContact O-N 2.98Å; D409-F411 VanDerWaalsContact O-O 3.12Å; F411-N428 WeakPolarHBondContact CD1-O 3.31Å; F411-I430 HydrophobicContact CB-CB 4.48Å; F411-I430 HydrophobicContact CB-CD1 4.16Å; F411-I430 HydrophobicContact CB-CG1 3.31Å; F411-I430 HydrophobicContact CD1-CG1 4.3Å; F411-I430 HydrophobicContact CD2-CG1 3.84Å; F411-I430 HydrophobicContact CG-CB 4.37Å; F411-I430 HydrophobicContact CG-CG1 3.58Å; F411-K434 HydrophobicContact CE1-CB 4.14Å; F411-K434 HydrophobicContact CE1-CD 3.96Å; F411-K434 HydrophobicContact CE1-CG 3.91Å; F411-K434 HydrophobicContact CZ-CB 4.12Å; F411-K434 HydrophobicContact CZ-CG 4.32Å; F411-K434 WeakPolarHBondContact CZ-O 3.24Å; F411-P436 HydrophobicContact CD1-CB 3.91Å; F411-P436 HydrophobicContact CD2-CB 3.93Å; F411-P436 HydrophobicContact CE1-CB 3.81Å; F411-P436 HydrophobicContact CE2-CB 3.81Å; F411-P436 HydrophobicContact CE2-CG 4.07Å; F411-P436 HydrophobicContact CG-CB 3.98Å; F411-P436 HydrophobicContact CZ-CB 3.76Å; F411-P436 HydrophobicContact CZ-CG 4.16Å
412S90.9Very high82.4Confident10 Ų1042.1 Ų42.17%0.0722%0.215CC..BIsolated β-bridgetrans-78.2144.4166.7-73.60000111.4L425 N428 F429S412-L425 WeakPolarHBondContact CB-O 3.1Å; S412-L425 WeakPolarHBondContact OG-CB 3.31Å; S412-L425 PolarHBondContact OG-N 2.8Å; S412-L425 VanDerWaalsContact OG-N 3.12Å; S412-N428 PolarHBondContact N-O 3.19Å; S412-F429 WeakPolarHBondContact O-CD1 3.4Å
413T89.2Confident81Confident9 Ų944.7 Ų44.76%0.05523%0.232CC..  trans-112.3130.1175.7-54.20000109.3F99 V100 V416F99-T413 HydrophobicContact CB-CG2 4.17Å; V100-T413 HydrophobicContact CG2-CG2 3.72Å; T413-V416 HydrophobicContact CG2-CB 4.42Å; T413-V416 HydrophobicContact CG2-CG2 3.62Å; T413-V416 PolarHBondContact O-N 2.7Å
414P88.6Confident80Confident24 Ų2445 Ų4516%0.15624%0.235CC..THydrogen-bonded Turntrans-57.8142178.4-28.939.8000113K96 D97 V416 F429K96-P414 HydrophobicContact CD-CG 4.15Å; K96-P414 VanDerWaalsContact CE-CG 3.43Å; K96-P414 HydrophobicContact CG-CG 3.78Å; K96-P414 WeakPolarHBondContact O-CD 3.44Å; D97-P414 VanDerWaalsContact OD1-CG 3.28Å; D97-P414 WeakPolarHBondContact OD1-CG 3.48Å; P414-V416 PolarHBondContact O-N 3.37Å; P414-F429 HydrophobicContact CB-CE1 4.25Å; P414-F429 HydrophobicContact CB-CZ 4.41Å; P414-F429 HydrophobicContact CG-CD1 3.88Å; P414-F429 HydrophobicContact CG-CE1 3.69Å; P414-F429 HydrophobicContact CG-CG 4.44Å; P414-F429 HydrophobicContact CG-CZ 4.07Å
415G81.5Confident79.3Confident74 Ų7445.3 Ų45.376%0.76324%0.237SC*.THydrogen-bonded Turntrans70.6-15.7179.700000115.3K417G415-K417 PolarHBondContact O-N 3.14Å; G415-K417 VanDerWaalsContact O-N 3.14Å
416V75.7Confident78.7Confident68 Ų6850 Ų5041%0.41226%0.261SS..  trans-81.596.7176-176.80000108.6T413 P414T413-V416 HydrophobicContact CG2-CB 4.42Å; T413-V416 HydrophobicContact CG2-CG2 3.62Å; T413-V416 PolarHBondContact O-N 2.7Å; P414-V416 PolarHBondContact O-N 3.37Å
417K70.1Confident78.4Confident113 Ų11351.3 Ų51.349%0.49127%0.268SS..  trans-73.9153168.4-67.3170.2158.4-157.70110.1G415 E421 Y422G415-K417 PolarHBondContact O-N 3.14Å; G415-K417 VanDerWaalsContact O-N 3.14Å; K417-E421 HydrophobicContact CD-CB 4.01Å; K417-E421 WeakPolarHBondContact CD-O 3.46Å; K417-E421 VanDerWaalsContact CE-O 3.24Å; K417-E421 WeakPolarHBondContact CE-O 3.42Å; K417-E421 WeakPolarHBondContact CG-O 3.31Å; K417-E421 PolarHBondContact NZ-O 2.93Å; K417-E421 IonicContact NZ-OE2 3.16Å; K417-Y422 WeakPolarHBondContact CA-O 3.45Å; K417-Y422 WeakPolarHBondContact CB-O 3.4Å
418N64.7Low78.2Confident52 Ų5251.5 Ų51.528%0.27827%0.269SS..  trans-69178.5170.381.7-21.5000111A361 F420 E421 Y422A361-N418 HydrophobicContact CB-CB 3.74Å; A361-N418 WeakPolarHBondContact CB-ND2 3.41Å; N418-F420 PolarHBondContact O-N 3.37Å; N418-F420 VanDerWaalsContact OD1-C 3.32Å; N418-F420 WeakPolarHBondContact OD1-CA 3.41Å; N418-F420 PolarHBondContact OD1-N 3.27Å; N418-E421 PolarHBondContact O-N 3.45Å; N418-E421 PolarHBondContact OD1-N 3.04Å; N418-Y422 PolarHBondContact N-O 2.93Å; N418-Y422 WeakPolarHBondContact OD1-CB 3.26Å; N418-Y422 WeakPolarHBondContact OD1-CD2 3.39Å; N418-Y422 PolarHBondContact OD1-N 3.02Å
419Y42.7Very low78.1Confident210 Ų21052.8 Ų52.882%0.82428%0.275SS*.THydrogen-bonded Turntrans-52.8-26.1177.5-178.3-94.1000114.4
420F42.1Very low78.2Confident79 Ų7952.3 Ų52.335%0.34627%0.272SS..THydrogen-bonded Turntrans-101.520.8179.9-58.7-79.6000113N418 Y422 P498 R500N418-F420 PolarHBondContact O-N 3.37Å; N418-F420 VanDerWaalsContact OD1-C 3.32Å; N418-F420 WeakPolarHBondContact OD1-CA 3.41Å; N418-F420 PolarHBondContact OD1-N 3.27Å; F420-Y422 VanDerWaalsContact C-N 3.26Å; F420-Y422 HydrophobicContact CB-CD2 3.53Å; F420-Y422 HydrophobicContact CB-CE2 3.4Å; F420-Y422 HydrophobicContact CG-CE2 4.41Å; F420-Y422 VanDerWaalsContact O-CD2 3.31Å; F420-Y422 WeakPolarHBondContact O-CD2 3.34Å; F420-Y422 WeakPolarHBondContact O-CE2 3.4Å; F420-Y422 PolarHBondContact O-N 3.46Å; F420-P498 HydrophobicContact CD1-CB 4.29Å; F420-P498 HydrophobicContact CD2-CB 3.84Å; F420-P498 HydrophobicContact CD2-CG 4Å; F420-P498 HydrophobicContact CE1-CB 4.32Å; F420-P498 HydrophobicContact CE2-CB 3.89Å; F420-P498 HydrophobicContact CE2-CG 3.67Å; F420-P498 HydrophobicContact CG-CB 4.07Å; F420-P498 HydrophobicContact CZ-CB 4.16Å; F420-P498 HydrophobicContact CZ-CG 4.11Å; F420-R500 VanDerWaalsContact CE2-NH2 3.35Å
421E59.2Low78.3Confident138 Ų13855.7 Ų55.765%0.64529%0.289SS*.  trans65.215.6177-58.1-160.417100117K417 N418K417-E421 HydrophobicContact CD-CB 4.01Å; K417-E421 WeakPolarHBondContact CD-O 3.46Å; K417-E421 VanDerWaalsContact CE-O 3.24Å; K417-E421 WeakPolarHBondContact CE-O 3.42Å; K417-E421 WeakPolarHBondContact CG-O 3.31Å; K417-E421 PolarHBondContact NZ-O 2.93Å; K417-E421 IonicContact NZ-OE2 3.16Å; N418-E421 PolarHBondContact O-N 3.45Å; N418-E421 PolarHBondContact OD1-N 3.04Å
422Y59.6Low78.5Confident64 Ų6458.7 Ų58.725%0.25131%0.308SS..PPolyproline II helixtrans-77.3142.9178.5-66.4-80.9000112.3K417 N418 F420 I497K417-Y422 WeakPolarHBondContact CA-O 3.45Å; K417-Y422 WeakPolarHBondContact CB-O 3.4Å; N418-Y422 PolarHBondContact N-O 2.93Å; N418-Y422 WeakPolarHBondContact OD1-CB 3.26Å; N418-Y422 WeakPolarHBondContact OD1-CD2 3.39Å; N418-Y422 PolarHBondContact OD1-N 3.02Å; F420-Y422 VanDerWaalsContact C-N 3.26Å; F420-Y422 HydrophobicContact CB-CD2 3.53Å; F420-Y422 HydrophobicContact CB-CE2 3.4Å; F420-Y422 HydrophobicContact CG-CE2 4.41Å; F420-Y422 VanDerWaalsContact O-CD2 3.31Å; F420-Y422 WeakPolarHBondContact O-CD2 3.34Å; F420-Y422 WeakPolarHBondContact O-CE2 3.4Å; F420-Y422 PolarHBondContact O-N 3.46Å; Y422-I497 HydrophobicContact CD1-CD1 3.32Å; Y422-I497 HydrophobicContact CD1-CG1 4.02Å; Y422-I497 HydrophobicContact CD1-CG2 4.11Å; Y422-I497 HydrophobicContact CD2-CB 4.42Å; Y422-I497 HydrophobicContact CD2-CD1 4.4Å; Y422-I497 HydrophobicContact CD2-CG1 4.47Å; Y422-I497 HydrophobicContact CD2-CG2 3.17Å; Y422-I497 HydrophobicContact CE1-CD1 3.41Å; Y422-I497 VanDerWaalsContact CE1-CD1 3.41Å; Y422-I497 HydrophobicContact CE1-CG1 3.68Å; Y422-I497 HydrophobicContact CE1-CG2 4.19Å; Y422-I497 HydrophobicContact CE2-CB 4.31Å; Y422-I497 HydrophobicContact CE2-CD1 4.48Å; Y422-I497 HydrophobicContact CE2-CG1 4.18Å; Y422-I497 HydrophobicContact CE2-CG2 3.29Å; Y422-I497 HydrophobicContact CG-CD1 3.83Å; Y422-I497 HydrophobicContact CG-CG1 4.38Å; Y422-I497 HydrophobicContact CG-CG2 3.59Å
423P68.3Low78.9Confident57 Ų5759.4 Ų59.437%0.3732%0.317SS..PPolyproline II helixtrans-66.9157.5-177.126.4-33000112.6F360F360-P423 HydrophobicContact CD1-CB 4.08Å; F360-P423 HydrophobicContact CD1-CG 3.7Å; F360-P423 WeakPolarHBondContact CD1-O 3.48Å; F360-P423 HydrophobicContact CE1-CB 4.06Å; F360-P423 HydrophobicContact CE1-CG 3.74Å
424P77.3Confident79.3Confident19 Ų1959.1 Ų59.112%0.12332%0.315CS..PPolyproline II helixtrans-70.3153.7174.727.1-33.7000112.8F360 L426 F429F360-P424 WeakPolarHBondContact CD1-O 3.35Å; F360-P424 WeakPolarHBondContact CE1-O 3.28Å; P424-L426 PolarHBondContact O-N 2.85Å; P424-L426 VanDerWaalsContact O-N 3.14Å; P424-F429 HydrophobicContact CB-CE1 3.76Å; P424-F429 HydrophobicContact CB-CZ 4.31Å; P424-F429 HydrophobicContact CG-CE1 3.75Å; P424-F429 HydrophobicContact CG-CZ 3.9Å
425L82.8Confident79.7Confident7 Ų758.2 Ų58.24%0.03731%0.309CS..  trans-69.7107.6177.6-64.6166.7000110.7S315 F360 S412 N427 N428 L437S315-L425 VanDerWaalsContact CA-CD2 3.42Å; S315-L425 VanDerWaalsContact O-CD2 3.29Å; S315-L425 WeakPolarHBondContact O-CD2 3.24Å; F360-L425 HydrophobicContact CB-CD2 3.35Å; F360-L425 HydrophobicContact CB-CG 4.1Å; F360-L425 HydrophobicContact CD2-CD2 4.49Å; F360-L425 HydrophobicContact CG-CD2 3.95Å; S412-L425 WeakPolarHBondContact CB-O 3.1Å; S412-L425 WeakPolarHBondContact OG-CB 3.31Å; S412-L425 PolarHBondContact OG-N 2.8Å; S412-L425 VanDerWaalsContact OG-N 3.12Å; L425-N427 VanDerWaalsContact C-N 3.26Å; L425-N427 PolarHBondContact O-N 3.42Å; L425-N428 HydrophobicContact CB-CB 3.81Å; L425-N428 HydrophobicContact CD1-CB 4.45Å; L425-N428 CarbonylContact O-C 3.55Å; L425-N428 WeakPolarHBondContact O-CA 3.26Å; L425-N428 PolarHBondContact O-N 3.47Å; L425-L437 HydrophobicContact CD1-CD2 3.93Å
426L86.4Confident80.4Confident99 Ų9954.7 Ų54.752%0.51827%0.272SS..G310 helixtrans-58.7-36.9-175-57.4179.9000112.9F360 P424 N428 F429F360-L426 HydrophobicContact CE1-CG 4.29Å; P424-L426 PolarHBondContact O-N 2.85Å; P424-L426 VanDerWaalsContact O-N 3.14Å; L426-N428 PolarHBondContact O-N 3.29Å; L426-F429 HydrophobicContact CB-CE2 4.36Å; L426-F429 HydrophobicContact CD2-CE2 3.6Å; L426-F429 HydrophobicContact CD2-CZ 3.74Å; L426-F429 WeakPolarHBondContact O-CD2 3.46Å
427N90.6Very high81.3Confident26 Ų2652 Ų5214%0.13926%0.255CS..G310 helixtrans-75.9-8.1179.2-70.3-8.9000113.1K316 L317 K323 L425 K434K316-N427 PolarHBondContact O-ND2 2.86Å; L317-N427 WeakPolarHBondContact O-CB 3.41Å; K323-N427 HydrophobicContact CD-CB 4.24Å; K323-N427 VanDerWaalsContact CD-OD1 3.29Å; K323-N427 WeakPolarHBondContact CD-OD1 3.26Å; K323-N427 WeakPolarHBondContact CE-OD1 3.03Å; K323-N427 PolarHBondContact NZ-OD1 2.96Å; L425-N427 VanDerWaalsContact C-N 3.26Å; L425-N427 PolarHBondContact O-N 3.42Å; N427-K434 WeakPolarHBondContact O-CE 3.45Å; N427-K434 PolarHBondContact O-NZ 2.94Å
428N93.9Very high82.5Confident4 Ų446.9 Ų46.92%0.02123%0.234CC..G310 helixtrans-117.422.3-177.1-163.537.5000112.9D410 F411 S412 L425 L426 L437D410-N428 PolarHBondContact O-ND2 2.85Å; F411-N428 WeakPolarHBondContact CD1-O 3.31Å; S412-N428 PolarHBondContact N-O 3.19Å; L425-N428 HydrophobicContact CB-CB 3.81Å; L425-N428 HydrophobicContact CD1-CB 4.45Å; L425-N428 CarbonylContact O-C 3.55Å; L425-N428 WeakPolarHBondContact O-CA 3.26Å; L425-N428 PolarHBondContact O-N 3.47Å; L426-N428 PolarHBondContact O-N 3.29Å; N428-L437 HydrophobicContact CB-CB 4.33Å; N428-L437 WeakPolarHBondContact OD1-CB 3.45Å; N428-L437 PolarHBondContact OD1-N 2.74Å
429F94.2Very high83.9Confident28 Ų2845 Ų4512%0.12323%0.225CC..BIsolated β-bridgetrans-67.3151.4167.7-70.2-41.9000112.2K96 S412 P414 P424 L426 K434K96-F429 HydrophobicContact CG-CB 4.24Å; S412-F429 WeakPolarHBondContact O-CD1 3.4Å; P414-F429 HydrophobicContact CB-CE1 4.25Å; P414-F429 HydrophobicContact CB-CZ 4.41Å; P414-F429 HydrophobicContact CG-CD1 3.88Å; P414-F429 HydrophobicContact CG-CE1 3.69Å; P414-F429 HydrophobicContact CG-CG 4.44Å; P414-F429 HydrophobicContact CG-CZ 4.07Å; P424-F429 HydrophobicContact CB-CE1 3.76Å; P424-F429 HydrophobicContact CB-CZ 4.31Å; P424-F429 HydrophobicContact CG-CE1 3.75Å; P424-F429 HydrophobicContact CG-CZ 3.9Å; L426-F429 HydrophobicContact CB-CE2 4.36Å; L426-F429 HydrophobicContact CD2-CE2 3.6Å; L426-F429 HydrophobicContact CD2-CZ 3.74Å; L426-F429 WeakPolarHBondContact O-CD2 3.46Å; F429-K434 WeakPolarHBondContact O-CD 3.43Å; F429-K434 PolarHBondContact O-NZ 3.49Å
430I96.3Very high86.5Confident1 Ų135.1 Ų35.11%0.00519%0.186CC..  trans-62.4132.1178.5-57.5169.7000110.4K96 M98 F99 M408 F411K96-I430 WeakPolarHBondContact CA-O 3.39Å; M98-I430 HydrophobicContact CG-CD1 3.88Å; M98-I430 HydrophobicContact SD-CD1 4.25Å; M98-I430 HydrophobicContact SD-CG2 4.32Å; F99-I430 HydrophobicContact CD2-CD1 3.52Å; F99-I430 HydrophobicContact CE2-CD1 3.69Å; M408-I430 HydrophobicContact CE-CD1 4.5Å; M408-I430 HydrophobicContact CE-CG2 3.94Å; F411-I430 HydrophobicContact CB-CB 4.48Å; F411-I430 HydrophobicContact CB-CD1 4.16Å; F411-I430 HydrophobicContact CB-CG1 3.31Å; F411-I430 HydrophobicContact CD1-CG1 4.3Å; F411-I430 HydrophobicContact CD2-CG1 3.84Å; F411-I430 HydrophobicContact CG-CB 4.37Å; F411-I430 HydrophobicContact CG-CG1 3.58Å
431M97.1Very high89.1Confident87 Ų8731.4 Ų31.443%0.42917%0.17SC..  trans-143.5146.4167.3-64.1179.666.200108.9A90 F322 G433 K434A90-M431 VanDerWaalsContact CB-O 3.27Å; A90-M431 WeakPolarHBondContact CB-O 3.43Å; F322-M431 HydrophobicContact CD1-CB 4.19Å; F322-M431 HydrophobicContact CD1-CE 3.61Å; F322-M431 HydrophobicContact CD1-SD 3.68Å; F322-M431 HydrophobicContact CE1-CB 3.93Å; F322-M431 HydrophobicContact CE1-CE 3.93Å; F322-M431 HydrophobicContact CE1-SD 4.29Å; F322-M431 HydrophobicContact CG-SD 4.5Å; M431-G433 PolarHBondContact O-N 3.07Å; M431-K434 HydrophobicContact CB-CB 4.07Å; M431-K434 HydrophobicContact CB-CD 4.06Å; M431-K434 HydrophobicContact CG-CD 4.31Å; M431-K434 WeakPolarHBondContact O-CB 3.37Å; M431-K434 PolarHBondContact O-N 2.97Å; M431-K434 VanDerWaalsContact O-N 3.11Å
432P98.1Very high91Very high63 Ų6324.8 Ų24.841%0.40914%0.139SC..THydrogen-bonded Turntrans-47.3131.4171.6-29.935000112.7S92 S94 F322 K434S92-P432 WeakPolarHBondContact O-CB 3.33Å; S92-P432 WeakPolarHBondContact O-CG 3.45Å; S94-P432 WeakPolarHBondContact O-CD 3.28Å; S94-P432 VanDerWaalsContact O-CG 3.22Å; S94-P432 WeakPolarHBondContact O-CG 3.42Å; F322-P432 VanDerWaalsContact CZ-O 3.23Å; F322-P432 WeakPolarHBondContact CZ-O 3.12Å; P432-K434 PolarHBondContact O-N 3.21Å
433G97.5Very high92.8Very high25 Ų2521.8 Ų21.826%0.25813%0.127SC..THydrogen-bonded Turntrans72.11.2177.600000115.5M89 A90 M431M89-G433 WeakPolarHBondContact CE-O 3.39Å; A90-G433 WeakPolarHBondContact O-CA 3.48Å; A90-G433 PolarHBondContact O-N 3.32Å; M431-G433 PolarHBondContact O-N 3.07Å
434K97.8Very high94.3Very high4 Ų419.1 Ų19.12%0.01711%0.11CC..PPolyproline II helixtrans-77.9151.5178.9-167.6174.6175-177.50111.8M89 A90 D319 F322 F411 N427 F429 M431 P432M89-K434 WeakPolarHBondContact CA-O 3.12Å; A90-K434 WeakPolarHBondContact CB-O 3.46Å; A90-K434 PolarHBondContact N-O 3.32Å; D319-K434 HydrophobicContact CB-CD 4.42Å; D319-K434 HydrophobicContact CB-CG 3.69Å; F322-K434 HydrophobicContact CD1-CD 4.48Å; F322-K434 HydrophobicContact CD2-CB 3.94Å; F322-K434 HydrophobicContact CD2-CD 4.27Å; F322-K434 HydrophobicContact CD2-CG 3.66Å; F322-K434 HydrophobicContact CE1-CB 4.22Å; F322-K434 HydrophobicContact CE2-CB 3.62Å; F322-K434 HydrophobicContact CE2-CG 3.88Å; F322-K434 HydrophobicContact CG-CB 4.4Å; F322-K434 HydrophobicContact CG-CD 4.15Å; F322-K434 HydrophobicContact CG-CG 4.05Å; F322-K434 HydrophobicContact CZ-CB 3.77Å; F322-K434 HydrophobicContact CZ-CG 4.4Å; F411-K434 HydrophobicContact CE1-CB 4.14Å; F411-K434 HydrophobicContact CE1-CD 3.96Å; F411-K434 HydrophobicContact CE1-CG 3.91Å; F411-K434 HydrophobicContact CZ-CB 4.12Å; F411-K434 HydrophobicContact CZ-CG 4.32Å; F411-K434 WeakPolarHBondContact CZ-O 3.24Å; N427-K434 WeakPolarHBondContact O-CE 3.45Å; N427-K434 PolarHBondContact O-NZ 2.94Å; F429-K434 WeakPolarHBondContact O-CD 3.43Å; F429-K434 PolarHBondContact O-NZ 3.49Å; M431-K434 HydrophobicContact CB-CB 4.07Å; M431-K434 HydrophobicContact CB-CD 4.06Å; M431-K434 HydrophobicContact CG-CD 4.31Å; M431-K434 WeakPolarHBondContact O-CB 3.37Å; M431-K434 PolarHBondContact O-N 2.97Å; M431-K434 VanDerWaalsContact O-N 3.11Å; P432-K434 PolarHBondContact O-N 3.21Å
435R97.7Very high95.3Very high5 Ų518.2 Ų18.22%0.01910%0.104CC..PPolyproline II helixtrans-98.5134.3169.8-67.8169.5178.6140.40.7110.7D85 R87 E88 M89 V243 P266 D319D85-R435 IonicContact OD1-NE 3.68Å; D85-R435 WeakPolarHBondContact OD2-CD 3.4Å; D85-R435 IonicContact OD2-CZ 3.9Å; D85-R435 VanDerWaalsContact OD2-CZ 3.3Å; D85-R435 IonicContact OD2-NE 2.77Å; D85-R435 IonicContact OD2-NH1 2.96Å; D85-R435 PolarHBondContact OD2-NH1 2.97Å; R87-R435 HydrophobicContact CB-CB 4.38Å; R87-R435 HydrophobicContact CB-CG 4.25Å; R87-R435 HydrophobicContact CG-CB 4.03Å; R87-R435 HydrophobicContact CG-CG 4.34Å; E88-R435 WeakPolarHBondContact O-CG 3.39Å; M89-R435 HydrophobicContact CG-CG 3.62Å; V243-R435 PolarHBondContact O-NH2 3.5Å; P266-R435 HydrophobicContact CG-CB 3.7Å; D319-R435 WeakPolarHBondContact OD2-CB 3.49Å; D319-R435 PolarHBondContact OD2-N 3Å
436P96.1Very high96Very high0 Ų018.2 Ų18.20%010%0.103CC..PPolyproline II helixtrans-75.2143.3178.930.1-33000111.2R87 E88 G407 D410 F411R87-P436 PolarHBondContact NE-O 2.97Å; E88-P436 VanDerWaalsContact O-CD 3.31Å; E88-P436 WeakPolarHBondContact O-CD 3.27Å; G407-P436 WeakPolarHBondContact O-CG 3.3Å; D410-P436 HydrophobicContact CB-CB 3.59Å; D410-P436 HydrophobicContact CB-CG 4.03Å; F411-P436 HydrophobicContact CD1-CB 3.91Å; F411-P436 HydrophobicContact CD2-CB 3.93Å; F411-P436 HydrophobicContact CE1-CB 3.81Å; F411-P436 HydrophobicContact CE2-CB 3.81Å; F411-P436 HydrophobicContact CE2-CG 4.07Å; F411-P436 HydrophobicContact CG-CB 3.98Å; F411-P436 HydrophobicContact CZ-CB 3.76Å; F411-P436 HydrophobicContact CZ-CG 4.16Å
437L95Very high96.5Very high10 Ų1015.1 Ų15.15%0.0529%0.088CC..PPolyproline II helixtrans-54.3138.1172.8-175.767.7000110.1L317 L425 N428L317-L437 HydrophobicContact CB-CD1 3.79Å; L425-L437 HydrophobicContact CD1-CD2 3.93Å; N428-L437 HydrophobicContact CB-CB 4.33Å; N428-L437 WeakPolarHBondContact OD1-CB 3.45Å; N428-L437 PolarHBondContact OD1-N 2.74Å
438S94.6Very high96.8Very high7 Ų720.2 Ų20.25%0.04911%0.108CC..  trans-129.4146.6-175.7-175.60000111.7P266 S268 M440P266-S438 PolarHBondContact O-N 3.43Å; S268-S438 WeakPolarHBondContact CB-O 3.34Å; S268-S438 PolarHBondContact N-O 2.91Å; S268-S438 PolarHBondContact OG-O 2.81Å; S438-M440 VanDerWaalsContact C-N 3.29Å; S438-M440 WeakPolarHBondContact OG-CB 3.43Å; S438-M440 WeakPolarHBondContact OG-CE 3.36Å; S438-M440 VanDerWaalsContact OG-CG 3.3Å; S438-M440 WeakPolarHBondContact OG-CG 3.43Å; S438-M440 PolarHBondContact OG-N 3.03Å
439S94.9Very high96.9Very high13 Ų1323.7 Ų23.79%0.09114%0.138CC..  trans-82.1-6.4172.5-57.70000113.5T441 G462 S463 I465S439-T441 PolarHBondContact O-N 3.15Å; S439-T441 PolarHBondContact O-OG1 3.5Å; S439-G462 WeakPolarHBondContact CB-O 3.05Å; S439-S463 WeakPolarHBondContact OG-CA 3.44Å; S439-I465 WeakPolarHBondContact O-CB 3.32Å; S439-I465 VanDerWaalsContact O-CG2 3.24Å; S439-I465 WeakPolarHBondContact O-CG2 3.22Å
440M96.6Very high96.9Very high2 Ų224.4 Ų24.41%0.0115%0.147CC..  trans-56.7128.6178.8-70.5-170.9-82.400111.2F70 S267 S268 T368 T384 T386 S438F70-M440 HydrophobicContact CD2-CB 3.87Å; F70-M440 HydrophobicContact CD2-CE 3.45Å; F70-M440 VanDerWaalsContact CD2-CE 3.45Å; F70-M440 HydrophobicContact CD2-SD 4.15Å; F70-M440 HydrophobicContact CE2-CE 3.64Å; S267-M440 PolarHBondContact OG-O 2.55Å; S268-M440 PolarHBondContact N-O 3.49Å; T368-M440 HydrophobicContact CG2-CG 4.39Å; T384-M440 HydrophobicContact CG2-CB 3.98Å; T384-M440 HydrophobicContact CG2-CG 3.54Å; T384-M440 HydrophobicContact CG2-SD 3.79Å; T386-M440 HydrophobicContact CG2-CE 3.56Å; T386-M440 HydrophobicContact CG2-SD 3.74Å; S438-M440 VanDerWaalsContact C-N 3.29Å; S438-M440 WeakPolarHBondContact OG-CB 3.43Å; S438-M440 WeakPolarHBondContact OG-CE 3.36Å; S438-M440 VanDerWaalsContact OG-CG 3.3Å; S438-M440 WeakPolarHBondContact OG-CG 3.43Å; S438-M440 PolarHBondContact OG-N 3.03Å
441T97Very high96.9Very high0 Ų024.4 Ų24.40%015%0.146CC..  trans-140.362.5-169.9-56.50000111.4A269 A272 S439 I443 T469A269-T441 HydrophobicContact CB-CG2 4.19Å; A272-T441 HydrophobicContact CB-CG2 3.37Å; S439-T441 PolarHBondContact O-N 3.15Å; S439-T441 PolarHBondContact O-OG1 3.5Å; T441-I443 HydrophobicContact CG2-CD1 3.65Å; T441-I443 HydrophobicContact CG2-CG1 4.05Å; T441-T469 HydrophobicContact CG2-CG2 4.15Å
442P98.7Very high96.9Very high0 Ų022.9 Ų22.90%014%0.14CC..  trans-72.1129.2170.429.9-32.1000110F70 P263 A382F70-P442 HydrophobicContact CB-CG 4.14Å; P263-P442 VanDerWaalsContact CD-O 3.25Å; P263-P442 WeakPolarHBondContact CD-O 3.44Å; P263-P442 HydrophobicContact CG-CG 3.66Å; A382-P442 HydrophobicContact CB-CB 3.71Å; A382-P442 WeakPolarHBondContact O-CB 3.39Å
443I98.8Very high96.9Very high1 Ų120.1 Ų20.11%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-132.7138.3-177.4-67174000110.2A260 C261 A269 A272 M273 T441 I445 I457 T469A260-I443 HydrophobicContact CB-CG2 4.2Å; C261-I443 WeakPolarHBondContact O-CA 3.47Å; A269-I443 HydrophobicContact CB-CG1 4.34Å; A272-I443 HydrophobicContact CB-CD1 3.87Å; M273-I443 HydrophobicContact CG-CD1 3.77Å; M273-I443 HydrophobicContact CG-CG1 4.44Å; T441-I443 HydrophobicContact CG2-CD1 3.65Å; T441-I443 HydrophobicContact CG2-CG1 4.05Å; I443-I445 HydrophobicContact CG2-CD1 4.3Å; I443-I445 HydrophobicContact CG2-CG1 3.74Å; I443-I457 HydrophobicContact CB-CG2 4.24Å; I443-I457 PolarHBondContact N-O 3.12Å; I443-I457 PolarHBondContact O-N 3.31Å; I443-T469 HydrophobicContact CD1-CG2 3.97Å; I443-T469 HydrophobicContact CG1-CG2 4.46Å
444V98.9Very high96.9Very high0 Ų021.6 Ų21.60%012%0.12CC..EExtended strand (participates in β ladder)trans-112.3135.7163174.50000108.9V72 Y74 A260 C261 A380 A382 V453 V456V72-V444 HydrophobicContact CG1-CB 4.46Å; V72-V444 HydrophobicContact CG1-CG2 3.97Å; Y74-V444 HydrophobicContact CG-CG1 4.12Å; A260-V444 WeakPolarHBondContact CA-O 3.35Å; C261-V444 PolarHBondContact N-O 3.05Å; C261-V444 PolarHBondContact O-N 3.2Å; A380-V444 HydrophobicContact CB-CG1 4.33Å; A380-V444 HydrophobicContact CB-CG2 4.21Å; A382-V444 HydrophobicContact CB-CG2 4.16Å; V444-V453 HydrophobicContact CG1-CG1 4.38Å; V444-V453 HydrophobicContact CG1-CG2 4.38Å; V444-V456 HydrophobicContact CG2-CG1 4.21Å
445I98.7Very high96.9Very high0 Ų021.4 Ų21.40%012%0.119CC..EExtended strand (participates in β ladder)trans-118.7130.6177.5-53.5-178.5000108I254 I258 M259 A260 I443 R454 L455 A473 L477I254-I445 HydrophobicContact CD1-CD1 3.88Å; I254-I445 HydrophobicContact CD1-CG1 4.49Å; I254-I445 HydrophobicContact CD1-CG2 3.88Å; I258-I445 HydrophobicContact CG2-CG2 3.36Å; M259-I445 CarbonylContact O-C 3.54Å; M259-I445 WeakPolarHBondContact O-CA 3.48Å; M259-I445 WeakPolarHBondContact O-CG2 3.19Å; A260-I445 HydrophobicContact CB-CG1 4.05Å; I443-I445 HydrophobicContact CG2-CD1 4.3Å; I443-I445 HydrophobicContact CG2-CG1 3.74Å; I445-R454 PolarHBondContact O-N 3.06Å; I445-L455 HydrophobicContact CB-CB 4.01Å; I445-L455 HydrophobicContact CD1-CB 4.27Å; I445-L455 HydrophobicContact CD1-CD2 4.03Å; I445-L455 HydrophobicContact CG1-CB 4.33Å; I445-L455 PolarHBondContact N-O 3.22Å; I445-L455 PolarHBondContact O-N 3.48Å; I445-L455 VanDerWaalsContact O-N 3.08Å; I445-A473 HydrophobicContact CD1-CB 4.07Å; I445-L477 HydrophobicContact CD1-CD1 3.61Å; I445-L477 HydrophobicContact CG2-CD1 4.06Å
446Y98.1Very high97Very high7 Ų721.2 Ų21.23%0.02712%0.118CC..EExtended strand (participates in β ladder)trans-142.4156.5-174.264.4-81.1000112Y74 M259 C261 D452Y74-Y446 HydrophobicContact CD2-CD1 4.06Å; Y74-Y446 HydrophobicContact CD2-CE1 4.3Å; Y74-Y446 HydrophobicContact CD2-CG 4.24Å; Y74-Y446 AromaticContact CE2-CD1 3.83Å; Y74-Y446 HydrophobicContact CE2-CD1 3.83Å; Y74-Y446 AromaticContact CE2-CD2 3.63Å; Y74-Y446 HydrophobicContact CE2-CD2 3.63Å; Y74-Y446 HydrophobicContact CE2-CE1 4.07Å; Y74-Y446 AromaticContact CE2-CE2 3.86Å; Y74-Y446 HydrophobicContact CE2-CE2 3.86Å; Y74-Y446 AromaticContact CE2-CG 3.61Å; Y74-Y446 HydrophobicContact CE2-CG 3.61Å; Y74-Y446 AromaticContact CZ-CD2 3.74Å; Y74-Y446 AromaticContact CZ-CG 3.76Å; Y74-Y446 WeakPolarHBondContact OH-CD2 3.45Å; M259-Y446 HydrophobicContact CB-CD1 4.09Å; M259-Y446 HydrophobicContact CB-CD2 4.31Å; M259-Y446 HydrophobicContact CB-CE1 3.56Å; M259-Y446 HydrophobicContact CB-CE2 3.84Å; M259-Y446 HydrophobicContact CB-CG 4.43Å; M259-Y446 VanDerWaalsContact CB-CZ 3.43Å; M259-Y446 HydrophobicContact CG-CE2 4.11Å; M259-Y446 PolarHBondContact N-O 3.3Å; M259-Y446 PolarHBondContact O-N 2.89Å; C261-Y446 HydrophobicContact CB-CE1 4.35Å; Y446-D452 CarbonylContact C-O 3.51Å; Y446-D452 VanDerWaalsContact CA-O 3.28Å; Y446-D452 WeakPolarHBondContact CA-O 3.46Å; Y446-D452 WeakPolarHBondContact CB-O 2.84Å
447D96.8Very high97.1Very high35 Ų3521.2 Ų21.219%0.18712%0.118CC..EExtended strand (participates in β ladder)trans-78.9122.4169.5-173.4-68.6000109.5I258 A449 S450 G451 D452I258-D447 HydrophobicContact CD1-CB 4.29Å; D447-A449 VanDerWaalsContact C-N 3.33Å; D447-A449 PolarHBondContact O-N 2.93Å; D447-A449 WeakPolarHBondContact OD1-CA 3.34Å; D447-A449 WeakPolarHBondContact OD1-CB 3.39Å; D447-A449 PolarHBondContact OD1-N 3.39Å; D447-S450 PolarHBondContact OD1-N 3.01Å; D447-G451 WeakPolarHBondContact O-CA 3.39Å; D447-G451 PolarHBondContact O-N 3.48Å; D447-D452 PolarHBondContact N-O 3.01Å
448K96.1Very high97.3Very high132 Ų13220.7 Ų20.757%0.57412%0.116SC*.THydrogen-bonded Turntrans-66.6-34.6-176.7-168.4175.8-178.5175.10112.7G257 M259G257-K448 WeakPolarHBondContact O-CB 3.3Å; G257-K448 PolarHBondContact O-N 3.41Å; M259-K448 HydrophobicContact CG-CB 3.85Å; M259-K448 HydrophobicContact CG-CD 4.07Å; M259-K448 HydrophobicContact CG-CG 4.14Å; M259-K448 HydrophobicContact SD-CD 4.1Å
449A94.9Very high97.4Very high77 Ų7720.4 Ų20.464%0.63611%0.113SC*.THydrogen-bonded Turntrans-80.3-47.3-172.900000111.3R79 D447R79-A449 PolarHBondContact NH1-O 3.49Å; R79-A449 PolarHBondContact NH2-O 3.17Å; R79-A449 VanDerWaalsContact NH2-O 3.11Å; D447-A449 VanDerWaalsContact C-N 3.33Å; D447-A449 PolarHBondContact O-N 2.93Å; D447-A449 WeakPolarHBondContact OD1-CA 3.34Å; D447-A449 WeakPolarHBondContact OD1-CB 3.39Å; D447-A449 PolarHBondContact OD1-N 3.39Å
450S94.8Very high97.3Very high44 Ų4420 Ų2031%0.30811%0.111SC..THydrogen-bonded Turntrans-82.5-32177.776.40000112.4R79 D447 D452R79-S450 PolarHBondContact NH2-O 3.11Å; R79-S450 VanDerWaalsContact NH2-O 3.08Å; D447-S450 PolarHBondContact OD1-N 3.01Å; S450-D452 VanDerWaalsContact C-N 3.34Å; S450-D452 VanDerWaalsContact CB-OD2 3.22Å; S450-D452 WeakPolarHBondContact CB-OD2 3.36Å; S450-D452 WeakPolarHBondContact OG-CB 3.47Å; S450-D452 PolarHBondContact OG-N 3.07Å; S450-D452 PolarHBondContact OG-OD2 3.46Å
451G96.5Very high96.8Very high0 Ų020 Ų200%011%0.112CC..  trans84.47-169.500000113.1Y74 R76 D447Y74-G451 VanDerWaalsContact CE1-O 3.26Å; Y74-G451 WeakPolarHBondContact CE1-O 3.39Å; Y74-G451 VanDerWaalsContact OH-CA 3.23Å; Y74-G451 WeakPolarHBondContact OH-CA 3.38Å; Y74-G451 PolarHBondContact OH-O 2.82Å; R76-G451 WeakPolarHBondContact CG-O 3.21Å; D447-G451 WeakPolarHBondContact O-CA 3.39Å; D447-G451 PolarHBondContact O-N 3.48Å
452D97Very high96.3Very high56 Ų5620 Ų2030%0.29911%0.112SC..  trans-78.2132.2-177.6-59.9-39.3000111.4R76 Y446 D447 S450R76-D452 IonicContact CZ-OD1 3.78Å; R76-D452 IonicContact NE-OD1 3Å; R76-D452 PolarHBondContact NE-OD1 3.35Å; R76-D452 IonicContact NH2-OD1 3.83Å; R76-D452 PolarHBondContact NH2-OD1 2.86Å; Y446-D452 CarbonylContact C-O 3.51Å; Y446-D452 VanDerWaalsContact CA-O 3.28Å; Y446-D452 WeakPolarHBondContact CA-O 3.46Å; Y446-D452 WeakPolarHBondContact CB-O 2.84Å; D447-D452 PolarHBondContact N-O 3.01Å; S450-D452 VanDerWaalsContact C-N 3.34Å; S450-D452 VanDerWaalsContact CB-OD2 3.22Å; S450-D452 WeakPolarHBondContact CB-OD2 3.36Å; S450-D452 WeakPolarHBondContact OG-CB 3.47Å; S450-D452 PolarHBondContact OG-N 3.07Å; S450-D452 PolarHBondContact OG-OD2 3.46Å
453V98.4Very high95.8Very high5 Ų520.2 Ų20.23%0.0311%0.113CC..EExtended strand (participates in β ladder)trans-60.4138.7169.2175.60000108.6Y74 L374 A380 V444 V456 V536Y74-V453 HydrophobicContact CD1-CG2 3.37Å; Y74-V453 HydrophobicContact CE1-CG2 3.66Å; Y74-V453 HydrophobicContact CG-CG2 4.41Å; L374-V453 HydrophobicContact CD1-CB 3.98Å; L374-V453 HydrophobicContact CD1-CG1 4.23Å; L374-V453 HydrophobicContact CD1-CG2 3.98Å; A380-V453 HydrophobicContact CB-CG1 4.39Å; A380-V453 HydrophobicContact CB-CG2 3.89Å; V444-V453 HydrophobicContact CG1-CG1 4.38Å; V444-V453 HydrophobicContact CG1-CG2 4.38Å; V453-V456 HydrophobicContact CG1-CG2 3.65Å; V453-V536 HydrophobicContact CG1-CG2 4.49Å; V453-V536 WeakPolarHBondContact O-CB 3.31Å; V453-V536 WeakPolarHBondContact O-CG2 3.38Å
454R97.9Very high95.5Very high56 Ų5621.6 Ų21.621%0.21112%0.118CC..EExtended strand (participates in β ladder)trans-113.3-34.7175.1-60.2-54.2-59.4-84.2-10.6111.9I258 I445 L477 Q535 V536I258-R454 HydrophobicContact CD1-CG 4.38Å; I445-R454 PolarHBondContact O-N 3.06Å; R454-L477 HydrophobicContact CB-CD2 4.37Å; R454-Q535 WeakPolarHBondContact O-CA 3.32Å; R454-V536 PolarHBondContact NE-O 3.04Å; R454-V536 PolarHBondContact O-N 2.84Å
455L98.5Very high95.3Very high0 Ų021.7 Ų21.70%012%0.119CC..EExtended strand (participates in β ladder)trans-150.9136.3177.8-164.967000111.1I445 I457 A473 I483 I534 Q535I445-L455 HydrophobicContact CB-CB 4.01Å; I445-L455 HydrophobicContact CD1-CB 4.27Å; I445-L455 HydrophobicContact CD1-CD2 4.03Å; I445-L455 HydrophobicContact CG1-CB 4.33Å; I445-L455 PolarHBondContact N-O 3.22Å; I445-L455 PolarHBondContact O-N 3.48Å; I445-L455 VanDerWaalsContact O-N 3.08Å; L455-I457 HydrophobicContact CD2-CB 4.06Å; L455-I457 HydrophobicContact CD2-CD1 3.87Å; L455-I457 HydrophobicContact CD2-CG2 3.8Å; L455-I457 HydrophobicContact CG-CB 3.98Å; L455-I457 HydrophobicContact CG-CD1 4.44Å; L455-I457 HydrophobicContact CG-CG2 4.03Å; L455-A473 HydrophobicContact CD2-CB 3.84Å; L455-I483 HydrophobicContact CD1-CD1 3.83Å; L455-I534 CarbonylContact C-O 3.48Å; L455-I534 VanDerWaalsContact CA-O 3.26Å; L455-I534 WeakPolarHBondContact CA-O 3.47Å; L455-Q535 HydrophobicContact CD1-CB 3.91Å; L455-Q535 HydrophobicContact CD1-CG 4.47Å
456V98.9Very high95.2Very high0 Ų021.7 Ų21.70%012%0.119CC..EExtended strand (participates in β ladder)trans-117.5118.8165.9-172.90000105.9A380 V381 A382 V444 V453 G533 I534A380-V456 HydrophobicContact CB-CG2 3.62Å; V381-V456 WeakPolarHBondContact O-CG1 3.38Å; A382-V456 HydrophobicContact CB-CG1 3.83Å; V444-V456 HydrophobicContact CG2-CG1 4.21Å; V453-V456 HydrophobicContact CG1-CG2 3.65Å; V456-G533 CarbonylContact O-C 3.57Å; V456-G533 VanDerWaalsContact O-CA 3.31Å; V456-G533 WeakPolarHBondContact O-CA 3.36Å; V456-I534 HydrophobicContact CB-CB 4.13Å; V456-I534 HydrophobicContact CG2-CB 4.38Å; V456-I534 PolarHBondContact N-O 3Å; V456-I534 PolarHBondContact O-N 3.17Å
457I98.7Very high95.1Very high0 Ų021.3 Ų21.30%012%0.117CC..EExtended strand (participates in β ladder)trans-152.5151.3-167.4-167.5162.8000113.7I443 L455 T469 M472 I483I443-I457 HydrophobicContact CB-CG2 4.24Å; I443-I457 PolarHBondContact N-O 3.12Å; I443-I457 PolarHBondContact O-N 3.31Å; L455-I457 HydrophobicContact CD2-CB 4.06Å; L455-I457 HydrophobicContact CD2-CD1 3.87Å; L455-I457 HydrophobicContact CD2-CG2 3.8Å; L455-I457 HydrophobicContact CG-CB 3.98Å; L455-I457 HydrophobicContact CG-CD1 4.44Å; L455-I457 HydrophobicContact CG-CG2 4.03Å; I457-T469 HydrophobicContact CG1-CG2 4.36Å; I457-T469 HydrophobicContact CG2-CG2 3.98Å; I457-M472 HydrophobicContact CD1-CB 3.47Å; I457-M472 VanDerWaalsContact CD1-CB 3.47Å; I457-M472 HydrophobicContact CD1-CE 3.95Å; I457-I483 HydrophobicContact CD1-CD1 4.4Å
458G98.1Very high95.1Very high0 Ų019.8 Ų19.80%011%0.109CC..EExtended strand (participates in β ladder)trans-179.9-177.117300000110.3H370 A531 T532H370-G458 WeakPolarHBondContact CD2-CA 3.2Å; H370-G458 PolarHBondContact CD2-N 2.92Å; H370-G458 PolarHBondContact CD2-O 3.38Å; H370-G458 VanDerWaalsContact CE1-CA 3.49Å; H370-G458 WeakPolarHBondContact CE1-CA 3.43Å; H370-G458 WeakPolarHBondContact NE2-CA 3.46Å; H370-G458 PolarHBondContact NE2-N 2.76Å; G458-A531 WeakPolarHBondContact O-CA 3.3Å; G458-T532 PolarHBondContact N-O 3.38Å; G458-T532 PolarHBondContact O-N 2.88Å
459S96.5Very high95.2Very high0 Ų013.6 Ų13.60%08%0.082CC..EExtended strand (participates in β ladder)trans-154162.7-174.1-175.90000111.8I465 T468 A530S459-I465 WeakPolarHBondContact O-CG1 3.36Å; S459-I465 WeakPolarHBondContact O-CG2 3.32Å; S459-T468 WeakPolarHBondContact OG-CG2 3.37Å; S459-A530 CarbonylContact C-O 3.34Å; S459-A530 WeakPolarHBondContact CA-O 3.49Å; S459-A530 WeakPolarHBondContact CB-O 3.34Å; S459-A530 PolarHBondContact OG-O 3.45Å
460A92.6Very high95.4Very high5 Ų59.9 Ų9.94%0.0415%0.052CC..EExtended strand (participates in β ladder)trans-110.1156.2164.500000111T368 T529 A530T368-A460 HydrophobicContact CG2-CB 4Å; T368-A460 WeakPolarHBondContact O-CB 3.26Å; A460-T529 VanDerWaalsContact O-CA 3.23Å; A460-T529 WeakPolarHBondContact O-CA 3.39Å; A460-T529 VanDerWaalsContact O-CB 3.29Å; A460-T529 WeakPolarHBondContact O-CB 3.32Å; A460-T529 WeakPolarHBondContact O-CG2 3.27Å; A460-A530 PolarHBondContact N-O 2.87Å; A460-A530 PolarHBondContact O-N 2.84Å
461G87.7Confident95.5Very high3 Ų37.9 Ų7.93%0.0314%0.037CC..SBendtrans122.240.717600000115.3R464 V528G461-R464 WeakPolarHBondContact O-CB 3.34Å; G461-R464 PolarHBondContact O-N 2.85Å; G461-V528 WeakPolarHBondContact CA-O 3.27Å
462G86.1Confident95.5Very high0 Ų07.9 Ų7.90%04%0.037CC..THydrogen-bonded Turntrans63.5-138.2172.900000115.3T365 S439 R464 I465T365-G462 WeakPolarHBondContact O-CA 3.46Å; T365-G462 PolarHBondContact O-N 2.82Å; T365-G462 WeakPolarHBondContact OG1-CA 3.42Å; S439-G462 WeakPolarHBondContact CB-O 3.05Å; G462-R464 PolarHBondContact O-N 3.3Å; G462-I465 VanDerWaalsContact O-CB 3.24Å; G462-I465 WeakPolarHBondContact O-CB 3.48Å; G462-I465 WeakPolarHBondContact O-CD1 3.47Å; G462-I465 WeakPolarHBondContact O-CG1 3.43Å; G462-I465 PolarHBondContact O-N 3.37Å
463S88.1Confident95.6Very high3 Ų35.2 Ų5.22%0.0212%0.023CC..THydrogen-bonded Turntrans-53.5-32.7-179.958.10000112.2Y311 S439 I465 I466 Q495Y311-S463 PolarHBondContact OH-O 3.26Å; S439-S463 WeakPolarHBondContact OG-CA 3.44Å; S463-I465 PolarHBondContact O-N 3.33Å; S463-I465 VanDerWaalsContact O-N 3.09Å; S463-I466 PolarHBondContact O-N 3.2Å; S463-Q495 PolarHBondContact OG-OE1 3.46Å
464R92.6Very high95.5Very high31 Ų315 Ų512%0.1172%0.022CC..Hα-helixtrans-67-11.5179.8-51.8179.5-169.889.31.2114.5G461 G462 I466 T467 T468 H493 T529G461-R464 WeakPolarHBondContact O-CB 3.34Å; G461-R464 PolarHBondContact O-N 2.85Å; G462-R464 PolarHBondContact O-N 3.3Å; R464-I466 VanDerWaalsContact C-N 3.31Å; R464-I466 PolarHBondContact O-N 3Å; R464-T467 PolarHBondContact O-N 3.12Å; R464-T467 PolarHBondContact O-OG1 3.08Å; R464-T468 WeakPolarHBondContact O-CB 3.27Å; R464-T468 PolarHBondContact O-N 2.8Å; R464-T468 PolarHBondContact O-OG1 3.19Å; R464-H493 HydrophobicContact CG-CB 4.49Å; R464-T529 HydrophobicContact CB-CG2 3.29Å; R464-T529 HydrophobicContact CG-CG2 4.33Å
465I95.2Very high95.5Very high1 Ų12.7 Ų2.71%0.0051%0.013CC..Hα-helixtrans-54-50174.8-69.7169000110T368 S439 S459 G462 S463 T467 T468 T469T368-I465 HydrophobicContact CG2-CD1 4.05Å; S439-I465 WeakPolarHBondContact O-CB 3.32Å; S439-I465 VanDerWaalsContact O-CG2 3.24Å; S439-I465 WeakPolarHBondContact O-CG2 3.22Å; S459-I465 WeakPolarHBondContact O-CG1 3.36Å; S459-I465 WeakPolarHBondContact O-CG2 3.32Å; G462-I465 VanDerWaalsContact O-CB 3.24Å; G462-I465 WeakPolarHBondContact O-CB 3.48Å; G462-I465 WeakPolarHBondContact O-CD1 3.47Å; G462-I465 WeakPolarHBondContact O-CG1 3.43Å; G462-I465 PolarHBondContact O-N 3.37Å; S463-I465 PolarHBondContact O-N 3.33Å; S463-I465 VanDerWaalsContact O-N 3.09Å; I465-T467 PolarHBondContact O-N 3.31Å; I465-T468 PolarHBondContact O-N 3.26Å; I465-T469 PolarHBondContact O-N 2.79Å; I465-T469 PolarHBondContact O-OG1 2.82Å; I465-T469 VanDerWaalsContact O-OG1 3.06Å
466I96.2Very high95.3Very high0 Ų02.9 Ų2.90%01%0.014CC..Hα-helixtrans-58.1-49.6-174.1-57.5170.6000110.9S268 I271 A272 I275 Y311 S463 R464 A470S268-I466 VanDerWaalsContact CB-CD1 3.44Å; I271-I466 HydrophobicContact CB-CD1 4.34Å; I271-I466 HydrophobicContact CB-CG2 3.82Å; I271-I466 HydrophobicContact CG2-CD1 4.37Å; I271-I466 HydrophobicContact CG2-CG2 3.62Å; A272-I466 HydrophobicContact CB-CG2 3.92Å; I275-I466 HydrophobicContact CD1-CG2 4.12Å; Y311-I466 HydrophobicContact CE1-CD1 3.86Å; Y311-I466 HydrophobicContact CE2-CG2 4.38Å; Y311-I466 WeakPolarHBondContact OH-CB 3.48Å; S463-I466 PolarHBondContact O-N 3.2Å; R464-I466 VanDerWaalsContact C-N 3.31Å; R464-I466 PolarHBondContact O-N 3Å; I466-A470 WeakPolarHBondContact O-CB 3.34Å; I466-A470 PolarHBondContact O-N 3.18Å; I466-A470 VanDerWaalsContact O-N 3.11Å
467T96.4Very high95.1Very high0 Ų04.9 Ų4.90%03%0.025CC..Hα-helixtrans-71.8-36.8-177.556.80000111.5M307 Y311 R464 I465 A470 Y471 H493M307-T467 HydrophobicContact CB-CG2 4.39Å; M307-T467 HydrophobicContact CE-CG2 4.04Å; M307-T467 HydrophobicContact CG-CG2 3.82Å; M307-T467 HydrophobicContact SD-CG2 3.43Å; M307-T467 WeakPolarHBondContact SD-CG2 3.33Å; Y311-T467 HydrophobicContact CE2-CG2 3.6Å; R464-T467 PolarHBondContact O-N 3.12Å; R464-T467 PolarHBondContact O-OG1 3.08Å; I465-T467 PolarHBondContact O-N 3.31Å; T467-A470 PolarHBondContact O-N 3.04Å; T467-Y471 WeakPolarHBondContact O-CB 3.24Å; T467-Y471 PolarHBondContact O-N 2.69Å; T467-H493 WeakPolarHBondContact CG2-ND1 3.3Å; T467-H493 PolarHBondContact OG1-ND1 2.94Å
468T96.7Very high95Very high3 Ų36.4 Ų6.42%0.0183%0.031CC..Hα-helixtrans-63-47.5177.8-59.30000110.8S459 R464 I465 Y471 M472 T529 A531S459-T468 WeakPolarHBondContact OG-CG2 3.37Å; R464-T468 WeakPolarHBondContact O-CB 3.27Å; R464-T468 PolarHBondContact O-N 2.8Å; R464-T468 PolarHBondContact O-OG1 3.19Å; I465-T468 PolarHBondContact O-N 3.26Å; T468-Y471 PolarHBondContact O-N 3.45Å; T468-M472 HydrophobicContact CG2-SD 4.02Å; T468-M472 WeakPolarHBondContact O-CG 3.36Å; T468-M472 PolarHBondContact O-N 2.78Å; T468-T529 PolarHBondContact OG1-OG1 2.85Å; T468-A531 HydrophobicContact CG2-CB 4.06Å
469T97.8Very high94.8Very high1 Ų16.7 Ų6.71%0.0063%0.032CC..Hα-helixtrans-61.2-48.4177.4-58.60000111.6T441 I443 I457 I465 Y471 A473T441-T469 HydrophobicContact CG2-CG2 4.15Å; I443-T469 HydrophobicContact CD1-CG2 3.97Å; I443-T469 HydrophobicContact CG1-CG2 4.46Å; I457-T469 HydrophobicContact CG1-CG2 4.36Å; I457-T469 HydrophobicContact CG2-CG2 3.98Å; I465-T469 PolarHBondContact O-N 2.79Å; I465-T469 PolarHBondContact O-OG1 2.82Å; I465-T469 VanDerWaalsContact O-OG1 3.06Å; T469-Y471 VanDerWaalsContact C-N 3.34Å; T469-Y471 PolarHBondContact O-N 2.85Å; T469-A473 WeakPolarHBondContact O-CB 3.22Å; T469-A473 PolarHBondContact O-N 2.77Å
470A98.2Very high94.5Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-63.6-39.2178.500000112.4A272 I275 L276 F303 I466 T467 A473 M474A272-A470 HydrophobicContact CB-CB 4.22Å; I275-A470 HydrophobicContact CB-CB 4.1Å; I275-A470 HydrophobicContact CD1-CB 4.22Å; I275-A470 HydrophobicContact CG2-CB 3.95Å; L276-A470 WeakPolarHBondContact CD2-O 3.48Å; L276-A470 HydrophobicContact CG-CB 4.43Å; F303-A470 HydrophobicContact CE2-CB 4.22Å; F303-A470 HydrophobicContact CZ-CB 4.13Å; I466-A470 WeakPolarHBondContact O-CB 3.34Å; I466-A470 PolarHBondContact O-N 3.18Å; I466-A470 VanDerWaalsContact O-N 3.11Å; T467-A470 PolarHBondContact O-N 3.04Å; A470-A473 PolarHBondContact O-N 3.18Å; A470-M474 WeakPolarHBondContact O-CB 3.5Å; A470-M474 PolarHBondContact O-N 3.01Å
471Y97.3Very high94.6Very high1 Ų114.8 Ų14.80%0.0047%0.074CC..Hα-helixtrans-64.4-50.3-178.4-176.2-121.7000111.2Y300 F303 T467 T468 T469 A473 M474 R475 A489 P490 R491Y300-Y471 HydrophobicContact CD1-CE2 4.18Å; Y300-Y471 AromaticContact CE1-CE2 3.87Å; Y300-Y471 HydrophobicContact CE1-CE2 3.87Å; F303-Y471 AromaticContact CD1-CD2 3.76Å; F303-Y471 HydrophobicContact CD1-CD2 3.76Å; F303-Y471 HydrophobicContact CD1-CE2 4.36Å; F303-Y471 AromaticContact CE1-CD2 3.28Å; F303-Y471 HydrophobicContact CE1-CD2 3.28Å; F303-Y471 HydrophobicContact CE1-CE2 4.26Å; F303-Y471 AromaticContact CE1-CG 3.86Å; F303-Y471 HydrophobicContact CE1-CG 3.86Å; F303-Y471 AromaticContact CZ-CD2 3.99Å; F303-Y471 HydrophobicContact CZ-CD2 3.99Å; F303-Y471 HydrophobicContact CZ-CG 4.33Å; T467-Y471 WeakPolarHBondContact O-CB 3.24Å; T467-Y471 PolarHBondContact O-N 2.69Å; T468-Y471 PolarHBondContact O-N 3.45Å; T469-Y471 VanDerWaalsContact C-N 3.34Å; T469-Y471 PolarHBondContact O-N 2.85Å; Y471-A473 VanDerWaalsContact C-N 3.35Å; Y471-A473 PolarHBondContact O-N 3.39Å; Y471-M474 HydrophobicContact CD2-CE 3.95Å; Y471-M474 HydrophobicContact CE2-CE 4.17Å; Y471-M474 WeakPolarHBondContact O-CB 3.35Å; Y471-M474 PolarHBondContact O-N 2.88Å; Y471-R475 HydrophobicContact CE2-CG 4.42Å; Y471-R475 WeakPolarHBondContact O-CG 3.24Å; Y471-R475 PolarHBondContact O-N 3.48Å; Y471-R475 PolarHBondContact OH-NH1 3Å; Y471-A489 HydrophobicContact CE1-CB 4.12Å; Y471-P490 WeakPolarHBondContact CE1-O 3.32Å; Y471-P490 PolarHBondContact OH-O 2.75Å; Y471-R491 HydrophobicContact CD1-CG 4.38Å; Y471-R491 HydrophobicContact CE1-CG 4.48Å
472M97.3Very high95.1Very high0 Ų016.5 Ų16.50%08%0.084CC..Hα-helixtrans-65.5-38.8179.4-73.3174.858.400112.2I457 T468 R475 S476 I483 M487 A531I457-M472 HydrophobicContact CD1-CB 3.47Å; I457-M472 VanDerWaalsContact CD1-CB 3.47Å; I457-M472 HydrophobicContact CD1-CE 3.95Å; T468-M472 HydrophobicContact CG2-SD 4.02Å; T468-M472 WeakPolarHBondContact O-CG 3.36Å; T468-M472 PolarHBondContact O-N 2.78Å; M472-R475 PolarHBondContact O-N 3.11Å; M472-S476 VanDerWaalsContact O-CB 3.24Å; M472-S476 WeakPolarHBondContact O-CB 3.47Å; M472-S476 PolarHBondContact O-N 2.85Å; M472-I483 HydrophobicContact CE-CD1 4.03Å; M472-M487 HydrophobicContact CE-CB 3.8Å; M472-M487 HydrophobicContact CE-CE 3.48Å; M472-M487 VanDerWaalsContact CE-CE 3.48Å; M472-M487 HydrophobicContact CE-CG 3.98Å; M472-M487 HydrophobicContact SD-CG 4.47Å; M472-A531 HydrophobicContact CE-CB 3.77Å; M472-A531 HydrophobicContact SD-CB 3.28Å; M472-A531 WeakPolarHBondContact SD-CB 3.29Å
473A97.7Very high95.6Very high0 Ų016.5 Ų16.50%08%0.084CC..Hα-helixtrans-62.8-45.3175.100000111.9L276 I445 L455 T469 A470 Y471 R475 S476 L477L276-A473 HydrophobicContact CD1-CB 4Å; L276-A473 HydrophobicContact CD2-CB 4.02Å; I445-A473 HydrophobicContact CD1-CB 4.07Å; L455-A473 HydrophobicContact CD2-CB 3.84Å; T469-A473 WeakPolarHBondContact O-CB 3.22Å; T469-A473 PolarHBondContact O-N 2.77Å; A470-A473 PolarHBondContact O-N 3.18Å; Y471-A473 VanDerWaalsContact C-N 3.35Å; Y471-A473 PolarHBondContact O-N 3.39Å; A473-R475 PolarHBondContact O-N 3.07Å; A473-S476 PolarHBondContact O-N 2.79Å; A473-L477 VanDerWaalsContact O-CB 3.27Å; A473-L477 WeakPolarHBondContact O-CB 3.14Å; A473-L477 VanDerWaalsContact O-CG 3.27Å; A473-L477 WeakPolarHBondContact O-CG 3.49Å; A473-L477 PolarHBondContact O-N 3.02Å
474M97.4Very high96Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-56.8-50.7175.4179.5-169.273.900111.4L276 M279 L284 F303 A470 Y471 W478L276-M474 HydrophobicContact CD2-CB 4.29Å; M279-M474 HydrophobicContact CE-SD 4.01Å; L284-M474 HydrophobicContact CD1-CG 4.03Å; L284-M474 HydrophobicContact CD1-SD 4.02Å; F303-M474 HydrophobicContact CB-SD 4.33Å; F303-M474 HydrophobicContact CD1-CE 4.42Å; F303-M474 HydrophobicContact CD2-CE 4.3Å; F303-M474 HydrophobicContact CD2-SD 3.6Å; F303-M474 HydrophobicContact CE2-SD 4.08Å; F303-M474 HydrophobicContact CG-CE 4.22Å; F303-M474 HydrophobicContact CG-SD 3.98Å; A470-M474 WeakPolarHBondContact O-CB 3.5Å; A470-M474 PolarHBondContact O-N 3.01Å; Y471-M474 HydrophobicContact CD2-CE 3.95Å; Y471-M474 HydrophobicContact CE2-CE 4.17Å; Y471-M474 WeakPolarHBondContact O-CB 3.35Å; Y471-M474 PolarHBondContact O-N 2.88Å; M474-W478 HydrophobicContact CB-CE3 4.09Å; M474-W478 HydrophobicContact CB-CZ3 4.06Å; M474-W478 HydrophobicContact CG-CE3 3.52Å; M474-W478 HydrophobicContact CG-CZ3 3.71Å; M474-W478 PolarHBondContact O-N 3.44Å
475R96.8Very high96.2Very high8 Ų821 Ų213%0.0311%0.106CC..Hα-helixtrans-62.6-49-178.9-68.3-170.879.9102.58111.9W7 Y300 Y471 M472 A473 L477 L479 E481 A486 A489W7-R475 VanDerWaalsContact CH2-NH1 3.28Å; Y300-R475 PolarHBondContact OH-NH1 3.31Å; Y471-R475 HydrophobicContact CE2-CG 4.42Å; Y471-R475 WeakPolarHBondContact O-CG 3.24Å; Y471-R475 PolarHBondContact O-N 3.48Å; Y471-R475 PolarHBondContact OH-NH1 3Å; M472-R475 PolarHBondContact O-N 3.11Å; A473-R475 PolarHBondContact O-N 3.07Å; R475-L477 PolarHBondContact O-N 2.94Å; R475-L479 HydrophobicContact CB-CD1 4.44Å; R475-L479 HydrophobicContact CG-CD1 4.08Å; R475-L479 WeakPolarHBondContact O-CA 3.25Å; R475-L479 WeakPolarHBondContact O-CB 3.36Å; R475-L479 PolarHBondContact O-N 3.41Å; R475-L479 VanDerWaalsContact O-N 3.13Å; R475-E481 WeakPolarHBondContact CB-OE2 3.18Å; R475-E481 IonicContact CZ-OE1 2.82Å; R475-E481 IonicContact CZ-OE2 3.4Å; R475-E481 IonicContact NE-OE1 3.13Å; R475-E481 PolarHBondContact NE-OE1 3.06Å; R475-E481 IonicContact NE-OE2 3.39Å; R475-E481 PolarHBondContact NE-OE2 3.19Å; R475-E481 IonicContact NH2-OE1 2.66Å; R475-E481 PolarHBondContact NH2-OE1 3.49Å; R475-E481 IonicContact NH2-OE2 2.68Å; R475-E481 PolarHBondContact NH2-OE2 3.39Å; R475-A486 HydrophobicContact CB-CB 3.72Å; R475-A489 VanDerWaalsContact CZ-CB 3.49Å
476S95.9Very high96.3Very high4 Ų421 Ų213%0.02811%0.105CC..Hα-helixtrans-66.9-37.9-177.4-178.40000113.3M472 A473 E481 Q535M472-S476 VanDerWaalsContact O-CB 3.24Å; M472-S476 WeakPolarHBondContact O-CB 3.47Å; M472-S476 PolarHBondContact O-N 2.85Å; A473-S476 PolarHBondContact O-N 2.79Å; S476-E481 WeakPolarHBondContact CA-O 3.38Å; S476-Q535 PolarHBondContact O-NE2 3.49Å; S476-Q535 PolarHBondContact OG-NE2 2.73Å
477L94.9Very high96.3Very high43 Ų4321 Ų2123%0.22511%0.105CC..Hα-helixtrans-85-40.8-175.1-67.7173.4000113.6I254 I445 R454 A473 R475I254-L477 HydrophobicContact CD1-CD1 3.69Å; I445-L477 HydrophobicContact CD1-CD1 3.61Å; I445-L477 HydrophobicContact CG2-CD1 4.06Å; R454-L477 HydrophobicContact CB-CD2 4.37Å; A473-L477 VanDerWaalsContact O-CB 3.27Å; A473-L477 WeakPolarHBondContact O-CB 3.14Å; A473-L477 VanDerWaalsContact O-CG 3.27Å; A473-L477 WeakPolarHBondContact O-CG 3.49Å; A473-L477 PolarHBondContact O-N 3.02Å; R475-L477 PolarHBondContact O-N 2.94Å
478W95.3Very high96.2Very high32 Ų3221.9 Ų21.912%0.12111%0.11CC..Hα-helixtrans-112.2-24.4-167.9-54.9-36.4000113.8I254 S255 L276 M279 L284 M474 N480I254-W478 HydrophobicContact CB-CZ2 4.38Å; I254-W478 WeakPolarHBondContact O-CZ2 3.41Å; S255-W478 PolarHBondContact OG-NE1 3.23Å; L276-W478 HydrophobicContact CB-CH2 4.25Å; L276-W478 HydrophobicContact CD2-CH2 3.98Å; L276-W478 HydrophobicContact CD2-CZ3 4.28Å; L276-W478 VanDerWaalsContact O-CH2 3.31Å; L276-W478 WeakPolarHBondContact O-CH2 3.43Å; M279-W478 HydrophobicContact CB-CH2 4.06Å; M279-W478 HydrophobicContact CB-CZ3 3.58Å; L284-W478 HydrophobicContact CB-CB 3.95Å; L284-W478 HydrophobicContact CB-CE3 4.5Å; L284-W478 HydrophobicContact CD1-CE3 3.91Å; L284-W478 HydrophobicContact CD1-CZ3 4.44Å; M474-W478 HydrophobicContact CB-CE3 4.09Å; M474-W478 HydrophobicContact CB-CZ3 4.06Å; M474-W478 HydrophobicContact CG-CE3 3.52Å; M474-W478 HydrophobicContact CG-CZ3 3.71Å; M474-W478 PolarHBondContact O-N 3.44Å; W478-N480 VanDerWaalsContact C-N 3.34Å
479L94.7Very high96.2Very high6 Ų622 Ų223%0.03111%0.112CC..SBendtrans-96.110.8178.7-50.2-176.3000112.9L284 A286 M290 R475 E481L284-L479 HydrophobicContact CB-CD2 4.36Å; A286-L479 WeakPolarHBondContact CB-O 3.23Å; M290-L479 HydrophobicContact CE-CD1 3.63Å; M290-L479 HydrophobicContact CE-CD2 3.66Å; M290-L479 HydrophobicContact CE-CG 4.31Å; M290-L479 HydrophobicContact CG-CD1 4.15Å; M290-L479 HydrophobicContact CG-CD2 3.98Å; M290-L479 HydrophobicContact CG-CG 4.47Å; M290-L479 HydrophobicContact SD-CD1 3.91Å; M290-L479 HydrophobicContact SD-CD2 4.45Å; R475-L479 HydrophobicContact CB-CD1 4.44Å; R475-L479 HydrophobicContact CG-CD1 4.08Å; R475-L479 WeakPolarHBondContact O-CA 3.25Å; R475-L479 WeakPolarHBondContact O-CB 3.36Å; R475-L479 PolarHBondContact O-N 3.41Å; R475-L479 VanDerWaalsContact O-N 3.13Å; L479-E481 HydrophobicContact CB-CG 4.31Å; L479-E481 PolarHBondContact O-N 3.13Å; L479-E481 VanDerWaalsContact O-N 3.17Å
480N89.8Confident96Very high145 Ų14522 Ų2278%0.77511%0.111SC*.  trans54.533177.7-165.859.5000113.1W478W478-N480 VanDerWaalsContact C-N 3.34Å
481E95.5Very high95.9Very high30 Ų3022.5 Ų22.514%0.1411%0.113CC..  trans-90.7146.7176.3-70.8-174.9-175.200110.9R475 S476 L479 Q485 A486 Q535R475-E481 WeakPolarHBondContact CB-OE2 3.18Å; R475-E481 IonicContact CZ-OE1 2.82Å; R475-E481 IonicContact CZ-OE2 3.4Å; R475-E481 IonicContact NE-OE1 3.13Å; R475-E481 PolarHBondContact NE-OE1 3.06Å; R475-E481 IonicContact NE-OE2 3.39Å; R475-E481 PolarHBondContact NE-OE2 3.19Å; R475-E481 IonicContact NH2-OE1 2.66Å; R475-E481 PolarHBondContact NH2-OE1 3.49Å; R475-E481 IonicContact NH2-OE2 2.68Å; R475-E481 PolarHBondContact NH2-OE2 3.39Å; S476-E481 WeakPolarHBondContact CA-O 3.38Å; L479-E481 HydrophobicContact CB-CG 4.31Å; L479-E481 PolarHBondContact O-N 3.13Å; L479-E481 VanDerWaalsContact O-N 3.17Å; E481-Q485 VanDerWaalsContact CA-OE1 3.32Å; E481-Q485 HydrophobicContact CB-CB 3.87Å; E481-Q485 HydrophobicContact CG-CB 4.21Å; E481-A486 PolarHBondContact OE2-N 3.02Å; E481-Q535 PolarHBondContact O-NE2 2.83Å; E481-Q535 VanDerWaalsContact O-NE2 3.12Å
482T96.8Very high95.8Very high38 Ų3822.5 Ų22.523%0.23311%0.113CC..  trans-67.8161.2166.480.80000110.3E15 K484 Q485 A486 L543E15-T482 WeakPolarHBondContact OE2-CB 3.37Å; E15-T482 PolarHBondContact OE2-OG1 3.21Å; T482-K484 PolarHBondContact O-N 2.88Å; T482-K484 PolarHBondContact OG1-N 3.32Å; T482-Q485 PolarHBondContact O-N 2.97Å; T482-Q485 VanDerWaalsContact O-N 3.11Å; T482-Q485 PolarHBondContact OG1-N 3.1Å; T482-A486 PolarHBondContact O-N 2.83Å; T482-L543 HydrophobicContact CG2-CD1 4.16Å
483I97.5Very high95.7Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-61.3-32.7178-16553000112L455 I457 M472 M487 Q535 L543 N545L455-I483 HydrophobicContact CD1-CD1 3.83Å; I457-I483 HydrophobicContact CD1-CD1 4.4Å; M472-I483 HydrophobicContact CE-CD1 4.03Å; I483-M487 WeakPolarHBondContact O-CB 3.17Å; I483-M487 PolarHBondContact O-N 3.2Å; I483-Q535 HydrophobicContact CB-CB 3.94Å; I483-Q535 HydrophobicContact CG2-CB 4.44Å; I483-L543 HydrophobicContact CG2-CB 4.03Å; I483-N545 HydrophobicContact CG2-CB 4.08Å
484K97.1Very high95.6Very high30 Ų3023 Ų2313%0.1312%0.116CC..Hα-helixtrans-64.8-46.9171.6176.2170.3169.752.60112.2S11 S13 E15 T482 A486 M487 D488S11-K484 PolarHBondContact O-NZ 3.18Å; S11-K484 PolarHBondContact OG-NZ 3.05Å; S13-K484 WeakPolarHBondContact O-CE 3.37Å; S13-K484 PolarHBondContact O-NZ 3.49Å; S13-K484 PolarHBondContact OG-NZ 3.34Å; S13-K484 VanDerWaalsContact OG-NZ 3.07Å; E15-K484 HydrophobicContact CB-CB 3.87Å; E15-K484 HydrophobicContact CB-CD 3.77Å; E15-K484 HydrophobicContact CB-CG 4.45Å; E15-K484 HydrophobicContact CG-CB 4.05Å; E15-K484 WeakPolarHBondContact OE2-CB 3.38Å; E15-K484 PolarHBondContact OE2-N 3.21Å; T482-K484 PolarHBondContact O-N 2.88Å; T482-K484 PolarHBondContact OG1-N 3.32Å; K484-A486 VanDerWaalsContact C-N 3.35Å; K484-A486 PolarHBondContact O-N 3.12Å; K484-M487 PolarHBondContact O-N 2.96Å; K484-D488 IonicContact NZ-OD1 3.69Å; K484-D488 IonicContact NZ-OD2 3.44Å; K484-D488 PolarHBondContact NZ-OD2 3.15Å; K484-D488 WeakPolarHBondContact O-CB 3.26Å; K484-D488 PolarHBondContact O-N 3.47Å
485Q96.7Very high95.3Very high100 Ų10024.2 Ų24.247%0.46712%0.121SC..Hα-helixtrans-58.9-47.8178.3-72.1174.9-44.600111.4E481 T482 M487 D488 A489E481-Q485 VanDerWaalsContact CA-OE1 3.32Å; E481-Q485 HydrophobicContact CB-CB 3.87Å; E481-Q485 HydrophobicContact CG-CB 4.21Å; T482-Q485 PolarHBondContact O-N 2.97Å; T482-Q485 VanDerWaalsContact O-N 3.11Å; T482-Q485 PolarHBondContact OG1-N 3.1Å; Q485-M487 VanDerWaalsContact C-N 3.28Å; Q485-M487 PolarHBondContact O-N 3.34Å; Q485-D488 PolarHBondContact O-N 3Å; Q485-A489 PolarHBondContact O-N 3.37Å; Q485-A489 VanDerWaalsContact O-N 3.08Å
486A96.7Very high95Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-61.3-35.7177.600000112.8R475 E481 T482 K484R475-A486 HydrophobicContact CB-CB 3.72Å; E481-A486 PolarHBondContact OE2-N 3.02Å; T482-A486 PolarHBondContact O-N 2.83Å; K484-A486 VanDerWaalsContact C-N 3.35Å; K484-A486 PolarHBondContact O-N 3.12Å
487M95.9Very high94.5Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-76.9-38.2179.3-171.7175.9-76.500113.2M472 I483 K484 Q485 A489 A531 N545 D547 R549M472-M487 HydrophobicContact CE-CB 3.8Å; M472-M487 HydrophobicContact CE-CE 3.48Å; M472-M487 VanDerWaalsContact CE-CE 3.48Å; M472-M487 HydrophobicContact CE-CG 3.98Å; M472-M487 HydrophobicContact SD-CG 4.47Å; I483-M487 WeakPolarHBondContact O-CB 3.17Å; I483-M487 PolarHBondContact O-N 3.2Å; K484-M487 PolarHBondContact O-N 2.96Å; Q485-M487 VanDerWaalsContact C-N 3.28Å; Q485-M487 PolarHBondContact O-N 3.34Å; M487-A489 VanDerWaalsContact C-N 3.33Å; M487-A531 HydrophobicContact CE-CB 4.33Å; M487-A531 WeakPolarHBondContact CE-O 3.03Å; M487-N545 HydrophobicContact CE-CB 4.04Å; M487-N545 WeakPolarHBondContact CE-O 3.44Å; M487-N545 HydrophobicContact SD-CB 3.87Å; M487-N545 PolarHBondContact SD-ND2 3.08Å; M487-D547 HydrophobicContact CG-CB 4.02Å; M487-D547 WeakPolarHBondContact SD-CA 3.45Å; M487-D547 HydrophobicContact SD-CB 3.75Å; M487-D547 PolarHBondContact SD-N 3.03Å; M487-R549 PolarHBondContact O-NH1 3.2Å
488D95.6Very high94.1Very high19 Ų1922.5 Ų22.510%0.10211%0.114CC..Hα-helixtrans-71.3-31.2-179.9-78.7-3.6000111.9S11 S13 K484 Q485 P490S11-D488 VanDerWaalsContact CB-OD1 3.24Å; S11-D488 WeakPolarHBondContact CB-OD1 3.41Å; S11-D488 PolarHBondContact N-OD2 2.77Å; S11-D488 PolarHBondContact OG-OD1 2.79Å; S11-D488 PolarHBondContact OG-OD2 3.17Å; S13-D488 PolarHBondContact OG-OD1 3.43Å; K484-D488 IonicContact NZ-OD1 3.69Å; K484-D488 IonicContact NZ-OD2 3.44Å; K484-D488 PolarHBondContact NZ-OD2 3.15Å; K484-D488 WeakPolarHBondContact O-CB 3.26Å; K484-D488 PolarHBondContact O-N 3.47Å; Q485-D488 PolarHBondContact O-N 3Å; D488-P490 WeakPolarHBondContact O-CD 3.34Å
489A95.2Very high93.7Very high6 Ų625.5 Ų25.55%0.0513%0.129CC..SBendtrans-50.4126.1177.500000111.9W7 Y471 R475 Q485 M487 R549W7-A489 HydrophobicContact CE3-CB 4.44Å; W7-A489 HydrophobicContact CZ3-CB 3.83Å; Y471-A489 HydrophobicContact CE1-CB 4.12Å; R475-A489 VanDerWaalsContact CZ-CB 3.49Å; Q485-A489 PolarHBondContact O-N 3.37Å; Q485-A489 VanDerWaalsContact O-N 3.08Å; M487-A489 VanDerWaalsContact C-N 3.33Å; A489-R549 PolarHBondContact O-NH2 3.1Å
490P95.1Very high93.6Very high0 Ų028.3 Ų28.30%014%0.139CC..PPolyproline II helixtrans-51.9139.8170.6-32.336000112.9W7 P8 Y471 D488 E504 L506 F507W7-P490 HydrophobicContact CZ3-CG 4.41Å; P8-P490 HydrophobicContact CG-CG 3.57Å; Y471-P490 WeakPolarHBondContact CE1-O 3.32Å; Y471-P490 PolarHBondContact OH-O 2.75Å; D488-P490 WeakPolarHBondContact O-CD 3.34Å; P490-E504 VanDerWaalsContact CA-OE2 3.26Å; P490-E504 WeakPolarHBondContact CA-OE2 3.42Å; P490-E504 HydrophobicContact CB-CB 4.34Å; P490-L506 HydrophobicContact CB-CB 4.32Å; P490-L506 HydrophobicContact CG-CB 3.68Å; P490-L506 WeakPolarHBondContact CG-O 3.31Å; P490-F507 HydrophobicContact CB-CB 3.87Å; P490-F507 HydrophobicContact CB-CD2 3.73Å; P490-F507 HydrophobicContact CB-CG 4.25Å; P490-F507 WeakPolarHBondContact O-CD2 3.27Å
491R95.2Very high93.9Very high10 Ų1021.4 Ų21.44%0.03810%0.102CC..PPolyproline II helixtrans-96.6149.1-168.6-63.7173.9177.9152.67.7112.7Y471 Y503 E504 T529 D547 R549Y471-R491 HydrophobicContact CD1-CG 4.38Å; Y471-R491 HydrophobicContact CE1-CG 4.48Å; R491-Y503 WeakPolarHBondContact O-CA 3.4Å; R491-E504 HydrophobicContact CB-CG 4.07Å; R491-E504 PolarHBondContact N-OE2 2.85Å; R491-E504 PolarHBondContact O-N 3.3Å; R491-T529 VanDerWaalsContact CD-OG1 3.3Å; R491-T529 WeakPolarHBondContact CD-OG1 3.26Å; R491-T529 VanDerWaalsContact NH1-C 3.27Å; R491-T529 PolarHBondContact NH1-O 2.65Å; R491-T529 PolarHBondContact NH1-OG1 2.89Å; R491-D547 IonicContact CZ-OD2 3.56Å; R491-D547 IonicContact NH1-OD2 3.9Å; R491-D547 PolarHBondContact NH1-OD2 2.88Å; R491-D547 IonicContact NH2-OD1 2.77Å; R491-D547 IonicContact NH2-OD2 3.73Å; R491-D547 PolarHBondContact NH2-OD2 3.14Å; R491-R549 VanDerWaalsContact NH1-CD 3.28Å
492L95.7Very high93.9Very high1 Ų121.7 Ų21.71%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-111.5144168.1-63.4170.2000109.1Y300 I304 M307 T501 Y502 F507 M522Y300-L492 HydrophobicContact CD1-CD1 3.96Å; Y300-L492 HydrophobicContact CG-CD1 3.95Å; I304-L492 HydrophobicContact CD1-CD1 4.11Å; I304-L492 HydrophobicContact CG1-CD1 4.27Å; M307-L492 HydrophobicContact CE-CB 4.41Å; L492-T501 HydrophobicContact CD2-CG2 4.5Å; L492-Y502 CarbonylContact C-O 3.56Å; L492-Y502 WeakPolarHBondContact CA-O 3.08Å; L492-F507 HydrophobicContact CD1-CE2 3.87Å; L492-F507 HydrophobicContact CD1-CZ 3.73Å; L492-F507 HydrophobicContact CD2-CD1 4.47Å; L492-F507 HydrophobicContact CD2-CD2 4.03Å; L492-F507 HydrophobicContact CD2-CE1 4.19Å; L492-F507 HydrophobicContact CD2-CE2 3.8Å; L492-F507 HydrophobicContact CD2-CG 4.4Å; L492-F507 HydrophobicContact CD2-CZ 3.89Å; L492-F507 HydrophobicContact CG-CD2 4.17Å; L492-F507 HydrophobicContact CG-CE2 3.6Å; L492-F507 HydrophobicContact CG-CZ 3.9Å; L492-M522 HydrophobicContact CD2-CE 3.81Å
493H95.6Very high93.9Very high9 Ų921.8 Ų21.84%0.04210%0.099CC..EExtended strand (participates in β ladder)trans-145124.9174.7174.171.8000111R464 T467 Q495 T501 Y502R464-H493 HydrophobicContact CG-CB 4.49Å; T467-H493 WeakPolarHBondContact CG2-ND1 3.3Å; T467-H493 PolarHBondContact OG1-ND1 2.94Å; H493-Q495 PolarHBondContact NE2-OE1 2.76Å; H493-Q495 VanDerWaalsContact NE2-OE1 3.14Å; H493-T501 CarbonylContact O-C 3.57Å; H493-Y502 AromaticContact CD2-CD2 3.85Å; H493-Y502 PolarHBondContact N-O 2.94Å; H493-Y502 PolarHBondContact O-N 3.5Å
494N94.3Very high93.8Very high3 Ų322.1 Ų22.12%0.01610%0.1CC..  trans-135.4130.3167-167.8-50.1000108.1I304 M307 K308 Y311 L496 R500 T501I304-N494 HydrophobicContact CG2-CB 4.07Å; M307-N494 WeakPolarHBondContact CB-O 3.41Å; M307-N494 HydrophobicContact SD-CB 4.2Å; M307-N494 PolarHBondContact SD-N 3.28Å; M307-N494 VanDerWaalsContact SD-N 3.37Å; K308-N494 WeakPolarHBondContact CE-ND2 3.5Å; K308-N494 HydrophobicContact CG-CB 4.45Å; K308-N494 WeakPolarHBondContact CG-OD1 3.36Å; Y311-N494 WeakPolarHBondContact CD2-O 3.28Å; Y311-N494 WeakPolarHBondContact CE2-O 3.37Å; N494-L496 VanDerWaalsContact OD1-CA 3.31Å; N494-L496 WeakPolarHBondContact OD1-CA 3.41Å; N494-L496 PolarHBondContact OD1-N 3.25Å; N494-R500 PolarHBondContact ND2-O 3.39Å; N494-T501 HydrophobicContact CB-CG2 4.43Å; N494-T501 PolarHBondContact ND2-OG1 2.96Å
495Q91.2Very high93.6Very high24 Ų2427.6 Ų27.611%0.11212%0.12CC..  trans-117.127.3-179.854.8170.261.100111.7Y311 P362 S463 H493 I497Y311-Q495 HydrophobicContact CD1-CB 3.67Å; Y311-Q495 HydrophobicContact CD2-CB 4.25Å; Y311-Q495 HydrophobicContact CE1-CB 3.57Å; Y311-Q495 HydrophobicContact CE2-CB 4.17Å; Y311-Q495 HydrophobicContact CG-CB 3.99Å; P362-Q495 VanDerWaalsContact CG-NE2 3.35Å; S463-Q495 PolarHBondContact OG-OE1 3.46Å; H493-Q495 PolarHBondContact NE2-OE1 2.76Å; H493-Q495 VanDerWaalsContact NE2-OE1 3.14Å; Q495-I497 WeakPolarHBondContact CG-O 3.5Å; Q495-I497 PolarHBondContact NE2-O 3.43Å; Q495-I497 PolarHBondContact O-N 3.49Å
496L91Very high93.4Very high5 Ų527.2 Ų27.23%0.02612%0.12CC..SBendtrans64.9-53.7-172.3-176.557.3000113.9K308 A312 T353 Y356 A359 N494 P498K308-L496 HydrophobicContact CB-CD1 4.24Å; K308-L496 HydrophobicContact CG-CD1 4.47Å; A312-L496 HydrophobicContact CB-CD2 3.61Å; T353-L496 HydrophobicContact CG2-CD1 4.03Å; T353-L496 HydrophobicContact CG2-CG 4.17Å; Y356-L496 HydrophobicContact CD2-CD1 3.52Å; Y356-L496 HydrophobicContact CE2-CD1 4.29Å; Y356-L496 HydrophobicContact CG-CD1 3.87Å; A359-L496 HydrophobicContact CB-CD2 3.4Å; A359-L496 VanDerWaalsContact CB-CD2 3.4Å; A359-L496 HydrophobicContact CB-CG 3.93Å; N494-L496 VanDerWaalsContact OD1-CA 3.31Å; N494-L496 WeakPolarHBondContact OD1-CA 3.41Å; N494-L496 PolarHBondContact OD1-N 3.25Å; L496-P498 CarbonylContact O-C 3.35Å
497I85.1Confident93.3Very high1 Ų127.3 Ų27.31%0.00512%0.121CC..SBendtrans-116.5130.2-179.8-76.2167.7000110.8T353 A359 A361 Y422 Q495T353-I497 HydrophobicContact CG2-CG1 4.21Å; A359-I497 HydrophobicContact CB-CD1 3.23Å; A359-I497 HydrophobicContact CB-CG1 4.01Å; A359-I497 WeakPolarHBondContact O-CD1 3.46Å; A361-I497 HydrophobicContact CB-CG2 3.82Å; Y422-I497 HydrophobicContact CD1-CD1 3.32Å; Y422-I497 HydrophobicContact CD1-CG1 4.02Å; Y422-I497 HydrophobicContact CD1-CG2 4.11Å; Y422-I497 HydrophobicContact CD2-CB 4.42Å; Y422-I497 HydrophobicContact CD2-CD1 4.4Å; Y422-I497 HydrophobicContact CD2-CG1 4.47Å; Y422-I497 HydrophobicContact CD2-CG2 3.17Å; Y422-I497 HydrophobicContact CE1-CD1 3.41Å; Y422-I497 VanDerWaalsContact CE1-CD1 3.41Å; Y422-I497 HydrophobicContact CE1-CG1 3.68Å; Y422-I497 HydrophobicContact CE1-CG2 4.19Å; Y422-I497 HydrophobicContact CE2-CB 4.31Å; Y422-I497 HydrophobicContact CE2-CD1 4.48Å; Y422-I497 HydrophobicContact CE2-CG1 4.18Å; Y422-I497 HydrophobicContact CE2-CG2 3.29Å; Y422-I497 HydrophobicContact CG-CD1 3.83Å; Y422-I497 HydrophobicContact CG-CG1 4.38Å; Y422-I497 HydrophobicContact CG-CG2 3.59Å; Q495-I497 WeakPolarHBondContact CG-O 3.5Å; Q495-I497 PolarHBondContact NE2-O 3.43Å; Q495-I497 PolarHBondContact O-N 3.49Å
498P85.9Confident93.3Very high14 Ų1427.7 Ų27.79%0.09112%0.123CC..SBendcis-66.8161.9-7.527.8-36000112.5F420 L496 R500F420-P498 HydrophobicContact CD1-CB 4.29Å; F420-P498 HydrophobicContact CD2-CB 3.84Å; F420-P498 HydrophobicContact CD2-CG 4Å; F420-P498 HydrophobicContact CE1-CB 4.32Å; F420-P498 HydrophobicContact CE2-CB 3.89Å; F420-P498 HydrophobicContact CE2-CG 3.67Å; F420-P498 HydrophobicContact CG-CB 4.07Å; F420-P498 HydrophobicContact CZ-CB 4.16Å; F420-P498 HydrophobicContact CZ-CG 4.11Å; L496-P498 CarbonylContact O-C 3.35Å; P498-R500 HydrophobicContact CB-CG 4.35Å; P498-R500 HydrophobicContact CG-CG 3.91Å; P498-R500 PolarHBondContact O-N 2.73Å
499E88.3Confident93.3Very high94 Ų9433.1 Ų33.144%0.43915%0.148SC..SBendtrans-70.868-178.1-165.5174.1145.600112.3T353 N521T353-E499 PolarHBondContact N-OE2 2.89Å; T353-E499 PolarHBondContact OG1-OE2 2.75Å; E499-N521 PolarHBondContact O-ND2 3.11Å
500R92.5Very high93.4Very high66 Ų6632.9 Ų32.925%0.24915%0.146CC..  trans-151.1146.1176.457-174.5167.5-164.70.7110.7F420 N494 P498 Y502 N521 Q523F420-R500 VanDerWaalsContact CE2-NH2 3.35Å; N494-R500 PolarHBondContact ND2-O 3.39Å; P498-R500 HydrophobicContact CB-CG 4.35Å; P498-R500 HydrophobicContact CG-CG 3.91Å; P498-R500 PolarHBondContact O-N 2.73Å; R500-Y502 HydrophobicContact CG-CE1 4.5Å; R500-Y502 HydrophobicContact CG-CE2 4.06Å; R500-Y502 PolarHBondContact NE-OH 3.28Å; R500-Y502 PolarHBondContact NH2-OH 2.97Å; R500-N521 CarbonylContact C-O 3.59Å; R500-N521 WeakPolarHBondContact CA-O 3.43Å; R500-Q523 HydrophobicContact CB-CG 3.92Å
501T95.7Very high93.5Very high0 Ų033 Ų330%015%0.147CC..EExtended strand (participates in β ladder)trans-101.6115.3171.7-60.90000107.9I304 L492 H493 N494 Q520 N521 M522 Q523I304-T501 HydrophobicContact CD1-CG2 3.78Å; I304-T501 HydrophobicContact CG1-CG2 3.97Å; I304-T501 HydrophobicContact CG2-CG2 4.29Å; L492-T501 HydrophobicContact CD2-CG2 4.5Å; H493-T501 CarbonylContact O-C 3.57Å; N494-T501 HydrophobicContact CB-CG2 4.43Å; N494-T501 PolarHBondContact ND2-OG1 2.96Å; T501-Q520 PolarHBondContact OG1-OE1 2.91Å; T501-N521 PolarHBondContact N-O 3.39Å; T501-M522 HydrophobicContact CG2-CE 3.99Å; T501-M522 HydrophobicContact CG2-SD 3.71Å; T501-M522 CarbonylContact O-C 3.57Å; T501-M522 WeakPolarHBondContact O-CA 3.5Å; T501-Q523 PolarHBondContact O-N 2.77Å
502Y95.6Very high93.6Very high36 Ų3633 Ų3314%0.14115%0.148CC..EExtended strand (participates in β ladder)trans-78.5140.9172-63.2-78.9000110.9L492 H493 R500 Q523 I525L492-Y502 CarbonylContact C-O 3.56Å; L492-Y502 WeakPolarHBondContact CA-O 3.08Å; H493-Y502 AromaticContact CD2-CD2 3.85Å; H493-Y502 PolarHBondContact N-O 2.94Å; H493-Y502 PolarHBondContact O-N 3.5Å; R500-Y502 HydrophobicContact CG-CE1 4.5Å; R500-Y502 HydrophobicContact CG-CE2 4.06Å; R500-Y502 PolarHBondContact NE-OH 3.28Å; R500-Y502 PolarHBondContact NH2-OH 2.97Å; Y502-Q523 VanDerWaalsContact CA-O 3.25Å; Y502-Q523 WeakPolarHBondContact CA-O 3.36Å; Y502-Q523 HydrophobicContact CD1-CB 4.24Å; Y502-I525 HydrophobicContact CD1-CB 3.99Å; Y502-I525 HydrophobicContact CD1-CD1 4Å; Y502-I525 HydrophobicContact CD1-CG1 4.39Å; Y502-I525 HydrophobicContact CE1-CD1 4.22Å; Y502-I525 HydrophobicContact CG-CD1 4.37Å
503Y96.3Very high93.7Very high40 Ų4037.6 Ų37.616%0.15717%0.168CC..EExtended strand (participates in β ladder)trans-132.1142.8170.466.7-86.3000110.2R491 F507 V512 M522 Q523 P524 I525R491-Y503 WeakPolarHBondContact O-CA 3.4Å; Y503-F507 HydrophobicContact CD2-CB 3.87Å; Y503-F507 HydrophobicContact CG-CB 4.48Å; Y503-V512 HydrophobicContact CD1-CG1 4.43Å; Y503-V512 HydrophobicContact CD1-CG2 4.43Å; Y503-V512 HydrophobicContact CD2-CG2 3.84Å; Y503-V512 HydrophobicContact CE1-CG1 3.8Å; Y503-V512 HydrophobicContact CE1-CG2 4.33Å; Y503-V512 HydrophobicContact CE2-CG1 4.37Å; Y503-V512 HydrophobicContact CE2-CG2 3.74Å; Y503-V512 HydrophobicContact CG-CG2 4.19Å; Y503-M522 HydrophobicContact CD1-CB 3.89Å; Y503-M522 HydrophobicContact CD1-CE 3.89Å; Y503-M522 HydrophobicContact CE1-CB 3.76Å; Y503-M522 HydrophobicContact CG-CE 4.25Å; Y503-Q523 VanDerWaalsContact CD1-C 3.46Å; Y503-Q523 VanDerWaalsContact CD1-O 3.31Å; Y503-Q523 WeakPolarHBondContact CD1-O 3.43Å; Y503-Q523 PolarHBondContact N-O 3.39Å; Y503-P524 HydrophobicContact CE1-CB 4.26Å; Y503-P524 VanDerWaalsContact CE1-N 3.3Å; Y503-P524 HydrophobicContact CE2-CB 4.02Å; Y503-P524 CarbonylContact O-C 3.57Å; Y503-P524 WeakPolarHBondContact O-CA 3.45Å; Y503-I525 PolarHBondContact O-N 3.17Å
504E95Very high93.8Very high7 Ų738.4 Ų38.43%0.03318%0.175CC..EExtended strand (participates in β ladder)trans-65.9140.7171.6-69.3-178.313700110P490 R491 L506 F507 V527 R549P490-E504 VanDerWaalsContact CA-OE2 3.26Å; P490-E504 WeakPolarHBondContact CA-OE2 3.42Å; P490-E504 HydrophobicContact CB-CB 4.34Å; R491-E504 HydrophobicContact CB-CG 4.07Å; R491-E504 PolarHBondContact N-OE2 2.85Å; R491-E504 PolarHBondContact O-N 3.3Å; E504-L506 PolarHBondContact O-N 2.89Å; E504-F507 WeakPolarHBondContact O-CB 3.44Å; E504-F507 PolarHBondContact O-N 2.89Å; E504-V527 HydrophobicContact CG-CG2 4.13Å; E504-V527 VanDerWaalsContact OE1-CG1 3.32Å; E504-V527 WeakPolarHBondContact OE1-CG1 3.48Å; E504-V527 WeakPolarHBondContact OE1-CG2 3.48Å; E504-R549 IonicContact OE1-CZ 3.77Å; E504-R549 IonicContact OE1-NE 3.19Å; E504-R549 PolarHBondContact OE1-NE 2.69Å; E504-R549 IonicContact OE1-NH2 2.76Å; E504-R549 IonicContact OE2-CZ 2.73Å; E504-R549 IonicContact OE2-NE 2.78Å; E504-R549 PolarHBondContact OE2-NE 2.93Å; E504-R549 IonicContact OE2-NH2 3.88Å; E504-R549 PolarHBondContact OE2-NH2 3.44Å
505R93.2Very high94Very high144 Ų14438.3 Ų38.354%0.54317%0.174SC..THydrogen-bonded Turntrans-55.5-22.2-174.9-62.2-172.7-168.3-85.4-1.7115.4F507 P524 D526R505-F507 VanDerWaalsContact C-N 3.26Å; R505-F507 PolarHBondContact O-N 3.46Å; R505-P524 HydrophobicContact CG-CB 4.2Å; R505-D526 IonicContact CZ-OD1 2.72Å; R505-D526 IonicContact CZ-OD2 3.46Å; R505-D526 IonicContact NE-OD1 3.98Å; R505-D526 PolarHBondContact NE-OD1 3.17Å; R505-D526 IonicContact NE-OD2 2.76Å; R505-D526 IonicContact NH2-OD1 3.66Å; R505-D526 PolarHBondContact NH2-OD1 3.41Å; R505-D526 IonicContact NH2-OD2 3.53Å; R505-D526 PolarHBondContact NH2-OD2 2.86Å
506L92.1Very high94.3Very high92 Ų9240.6 Ų40.648%0.48219%0.187SC..THydrogen-bonded Turntrans-78.5-6.8176.6-63.9176.2000113.5P8 P490 E504 W548P8-L506 HydrophobicContact CG-CB 4.44Å; P490-L506 HydrophobicContact CB-CB 4.32Å; P490-L506 HydrophobicContact CG-CB 3.68Å; P490-L506 WeakPolarHBondContact CG-O 3.31Å; E504-L506 PolarHBondContact O-N 2.89Å; L506-W548 HydrophobicContact CD1-CH2 4.26Å; L506-W548 HydrophobicContact CD1-CZ2 4.29Å
507F94.6Very high94.6Very high3 Ų346.1 Ų46.11%0.01322%0.221CC..SBendtrans-64.7131.2177.9-157.2-88.4000109.8W7 Y300 P490 L492 Y503 E504 R505 E509 F511 V512 L515W7-F507 HydrophobicContact CH2-CD2 4.49Å; W7-F507 AromaticContact CH2-CE2 3.91Å; W7-F507 HydrophobicContact CH2-CE2 3.91Å; W7-F507 HydrophobicContact CH2-CZ 4.3Å; Y300-F507 HydrophobicContact CD2-CE1 4.48Å; Y300-F507 AromaticContact CD2-CZ 3.8Å; Y300-F507 HydrophobicContact CD2-CZ 3.8Å; Y300-F507 AromaticContact CE2-CZ 3.92Å; Y300-F507 HydrophobicContact CE2-CZ 3.92Å; Y300-F507 HydrophobicContact CG-CZ 4.17Å; P490-F507 HydrophobicContact CB-CB 3.87Å; P490-F507 HydrophobicContact CB-CD2 3.73Å; P490-F507 HydrophobicContact CB-CG 4.25Å; P490-F507 WeakPolarHBondContact O-CD2 3.27Å; L492-F507 HydrophobicContact CD1-CE2 3.87Å; L492-F507 HydrophobicContact CD1-CZ 3.73Å; L492-F507 HydrophobicContact CD2-CD1 4.47Å; L492-F507 HydrophobicContact CD2-CD2 4.03Å; L492-F507 HydrophobicContact CD2-CE1 4.19Å; L492-F507 HydrophobicContact CD2-CE2 3.8Å; L492-F507 HydrophobicContact CD2-CG 4.4Å; L492-F507 HydrophobicContact CD2-CZ 3.89Å; L492-F507 HydrophobicContact CG-CD2 4.17Å; L492-F507 HydrophobicContact CG-CE2 3.6Å; L492-F507 HydrophobicContact CG-CZ 3.9Å; Y503-F507 HydrophobicContact CD2-CB 3.87Å; Y503-F507 HydrophobicContact CG-CB 4.48Å; E504-F507 WeakPolarHBondContact O-CB 3.44Å; E504-F507 PolarHBondContact O-N 2.89Å; R505-F507 VanDerWaalsContact C-N 3.26Å; R505-F507 PolarHBondContact O-N 3.46Å; F507-E509 PolarHBondContact O-N 2.83Å; F507-F511 HydrophobicContact CD1-CB 4.19Å; F507-F511 HydrophobicContact CE1-CB 3.56Å; F507-F511 HydrophobicContact CE1-CD2 4.38Å; F507-F511 HydrophobicContact CE1-CG 4.31Å; F507-F511 HydrophobicContact CZ-CB 4.49Å; F507-V512 HydrophobicContact CD1-CG2 3.89Å; F507-L515 HydrophobicContact CE1-CD1 4.37Å
508P96Very high95.2Very high7 Ų747.3 Ų47.35%0.04523%0.226CC..  trans-60.9129.6-171.4-21.130.4000112.6E4 R6 W7 G510 F511 V512E4-P508 CarbonylContact O-C 3.54Å; E4-P508 WeakPolarHBondContact O-CB 3.34Å; R6-P508 WeakPolarHBondContact O-CG 3.32Å; W7-P508 HydrophobicContact CD2-CG 4.22Å; W7-P508 HydrophobicContact CG-CG 4.31Å; P508-G510 PolarHBondContact O-N 3.08Å; P508-F511 HydrophobicContact CB-CD2 3.64Å; P508-F511 HydrophobicContact CB-CE2 4.05Å; P508-F511 HydrophobicContact CG-CD2 3.74Å; P508-F511 HydrophobicContact CG-CE2 3.96Å; P508-F511 PolarHBondContact O-N 3.35Å; P508-F511 VanDerWaalsContact O-N 3.09Å; P508-V512 PolarHBondContact O-N 3.18Å
509E96Very high95.7Very high134 Ų13449 Ų4963%0.62625%0.245SC*.Hα-helixtrans-60.5-32-172.7-69.7-171.3172.400113.4E4 F507 F511 V512 K513E4-E509 PolarHBondContact O-N 3.35Å; F507-E509 PolarHBondContact O-N 2.83Å; E509-F511 VanDerWaalsContact C-N 3.32Å; E509-F511 PolarHBondContact O-N 2.98Å; E509-V512 WeakPolarHBondContact O-CB 3.46Å; E509-V512 PolarHBondContact O-N 2.86Å; E509-V512 VanDerWaalsContact O-N 3.17Å; E509-K513 WeakPolarHBondContact O-CG 3.19Å; E509-K513 PolarHBondContact O-N 3.29Å
510G97.2Very high96.2Very high1 Ų144.6 Ų44.61%0.0123%0.225CC..Hα-helixtrans-58.9-44.7176.500000111.4E4 F5 P508 K513 S514E4-G510 WeakPolarHBondContact O-CA 3.1Å; E4-G510 PolarHBondContact O-N 2.97Å; F5-G510 WeakPolarHBondContact CE1-O 3.44Å; P508-G510 PolarHBondContact O-N 3.08Å; G510-K513 PolarHBondContact O-N 3.04Å; G510-S514 PolarHBondContact O-N 3.21Å; G510-S514 PolarHBondContact O-OG 2.82Å; G510-S514 VanDerWaalsContact O-OG 3.1Å
511F97.4Very high96.4Very high1 Ų145 Ų450%0.00423%0.232CC..Hα-helixtrans-67.2-38.7175.2-63.8-58.3000111.9F5 W7 A293 E296 T297 F507 P508 E509 K513 S514 L515F5-F511 HydrophobicContact CB-CE2 4.2Å; F5-F511 HydrophobicContact CB-CZ 4.05Å; F5-F511 AromaticContact CD1-CD1 3.68Å; F5-F511 HydrophobicContact CD1-CD1 3.68Å; F5-F511 HydrophobicContact CD1-CD2 4.28Å; F5-F511 AromaticContact CD1-CE1 3.56Å; F5-F511 HydrophobicContact CD1-CE1 3.56Å; F5-F511 HydrophobicContact CD1-CE2 4.15Å; F5-F511 HydrophobicContact CD1-CG 4.01Å; F5-F511 AromaticContact CD1-CZ 3.77Å; F5-F511 HydrophobicContact CD1-CZ 3.77Å; F5-F511 HydrophobicContact CE1-CD1 4.02Å; F5-F511 HydrophobicContact CE1-CE1 4.18Å; F5-F511 HydrophobicContact CG-CZ 4.39Å; W7-F511 HydrophobicContact CZ2-CD2 4.38Å; W7-F511 HydrophobicContact CZ2-CE2 4.15Å; W7-F511 AromaticContact NE1-CE2 3.57Å; A293-F511 HydrophobicContact CB-CE1 4.3Å; E296-F511 HydrophobicContact CB-CE1 3.81Å; E296-F511 HydrophobicContact CB-CZ 4.17Å; E296-F511 HydrophobicContact CG-CD1 4.37Å; E296-F511 HydrophobicContact CG-CE1 3.63Å; E296-F511 HydrophobicContact CG-CE2 4.48Å; E296-F511 HydrophobicContact CG-CZ 3.72Å; E296-F511 WeakPolarHBondContact OE2-CZ 3.32Å; T297-F511 WeakPolarHBondContact OG1-CD1 3.21Å; F507-F511 HydrophobicContact CD1-CB 4.19Å; F507-F511 HydrophobicContact CE1-CB 3.56Å; F507-F511 HydrophobicContact CE1-CD2 4.38Å; F507-F511 HydrophobicContact CE1-CG 4.31Å; F507-F511 HydrophobicContact CZ-CB 4.49Å; P508-F511 HydrophobicContact CB-CD2 3.64Å; P508-F511 HydrophobicContact CB-CE2 4.05Å; P508-F511 HydrophobicContact CG-CD2 3.74Å; P508-F511 HydrophobicContact CG-CE2 3.96Å; P508-F511 PolarHBondContact O-N 3.35Å; P508-F511 VanDerWaalsContact O-N 3.09Å; E509-F511 VanDerWaalsContact C-N 3.32Å; E509-F511 PolarHBondContact O-N 2.98Å; F511-K513 VanDerWaalsContact C-N 3.34Å; F511-K513 PolarHBondContact O-N 2.8Å; F511-S514 PolarHBondContact O-N 2.72Å; F511-L515 WeakPolarHBondContact O-CB 3.41Å; F511-L515 VanDerWaalsContact O-CG 3.23Å; F511-L515 WeakPolarHBondContact O-CG 3.41Å; F511-L515 PolarHBondContact O-N 3.5Å
512V97.7Very high96.4Very high10 Ų1045.4 Ų45.46%0.06123%0.234CC..Hα-helixtrans-59.5-46.1176.4177.90000110.8Y503 F507 P508 E509 L515 N516 M522Y503-V512 HydrophobicContact CD1-CG1 4.43Å; Y503-V512 HydrophobicContact CD1-CG2 4.43Å; Y503-V512 HydrophobicContact CD2-CG2 3.84Å; Y503-V512 HydrophobicContact CE1-CG1 3.8Å; Y503-V512 HydrophobicContact CE1-CG2 4.33Å; Y503-V512 HydrophobicContact CE2-CG1 4.37Å; Y503-V512 HydrophobicContact CE2-CG2 3.74Å; Y503-V512 HydrophobicContact CG-CG2 4.19Å; F507-V512 HydrophobicContact CD1-CG2 3.89Å; P508-V512 PolarHBondContact O-N 3.18Å; E509-V512 WeakPolarHBondContact O-CB 3.46Å; E509-V512 PolarHBondContact O-N 2.86Å; E509-V512 VanDerWaalsContact O-N 3.17Å; V512-L515 PolarHBondContact O-N 2.92Å; V512-N516 PolarHBondContact O-N 3.39Å; V512-N516 PolarHBondContact O-ND2 2.54Å; V512-M522 HydrophobicContact CG1-CB 3.79Å; V512-M522 HydrophobicContact CG1-CG 4.17Å
513K97.5Very high96.5Very high98 Ų9847.4 Ų47.443%0.42625%0.245SC..Hα-helixtrans-60.9-48.4176-68.7174-168.4169.90111E4 E509 G510 F511 L515 N516 T517E4-K513 IonicContact OE1-NZ 2.62Å; E4-K513 PolarHBondContact OE1-NZ 3Å; E4-K513 VanDerWaalsContact OE1-NZ 3.13Å; E4-K513 IonicContact OE2-NZ 2.82Å; E4-K513 PolarHBondContact OE2-NZ 2.79Å; E509-K513 WeakPolarHBondContact O-CG 3.19Å; E509-K513 PolarHBondContact O-N 3.29Å; G510-K513 PolarHBondContact O-N 3.04Å; F511-K513 VanDerWaalsContact C-N 3.34Å; F511-K513 PolarHBondContact O-N 2.8Å; K513-L515 VanDerWaalsContact C-N 3.32Å; K513-L515 PolarHBondContact O-N 3.35Å; K513-N516 WeakPolarHBondContact O-CB 3.24Å; K513-N516 PolarHBondContact O-N 2.84Å; K513-T517 PolarHBondContact O-N 2.93Å
514S97.3Very high96.4Very high27 Ų2747.9 Ų47.919%0.18925%0.253CS..Hα-helixtrans-66.3-30179.8-57.90000113.7G510 F511 T517 R518G510-S514 PolarHBondContact O-N 3.21Å; G510-S514 PolarHBondContact O-OG 2.82Å; G510-S514 VanDerWaalsContact O-OG 3.1Å; F511-S514 PolarHBondContact O-N 2.72Å; S514-T517 PolarHBondContact O-OG1 3.26Å; S514-R518 WeakPolarHBondContact O-CG 3.32Å; S514-R518 PolarHBondContact O-N 3.13Å
515L98.3Very high96.3Very high0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-72.1-38.4172.4-72.1168.3000111.4T297 H301 I304 F507 F511 V512 K513 T517 R518 G519 Q520 M522T297-L515 HydrophobicContact CG2-CD2 4.12Å; T297-L515 HydrophobicContact CG2-CG 4.26Å; H301-L515 HydrophobicContact CB-CD2 3.88Å; I304-L515 HydrophobicContact CD1-CD1 4.12Å; I304-L515 HydrophobicContact CD1-CD2 4.1Å; F507-L515 HydrophobicContact CE1-CD1 4.37Å; F511-L515 WeakPolarHBondContact O-CB 3.41Å; F511-L515 VanDerWaalsContact O-CG 3.23Å; F511-L515 WeakPolarHBondContact O-CG 3.41Å; F511-L515 PolarHBondContact O-N 3.5Å; V512-L515 PolarHBondContact O-N 2.92Å; K513-L515 VanDerWaalsContact C-N 3.32Å; K513-L515 PolarHBondContact O-N 3.35Å; L515-T517 VanDerWaalsContact C-N 3.35Å; L515-T517 PolarHBondContact O-N 2.76Å; L515-R518 CarbonylContact O-C 3.58Å; L515-R518 WeakPolarHBondContact O-CB 3.17Å; L515-R518 PolarHBondContact O-N 3.04Å; L515-G519 PolarHBondContact O-N 2.84Å; L515-Q520 HydrophobicContact CB-CB 4.19Å; L515-Q520 HydrophobicContact CB-CG 4.28Å; L515-Q520 HydrophobicContact CD2-CG 4.37Å; L515-Q520 WeakPolarHBondContact O-CB 3.48Å; L515-Q520 PolarHBondContact O-N 3.38Å; L515-M522 HydrophobicContact CB-CE 4.29Å; L515-M522 HydrophobicContact CB-CG 4.03Å; L515-M522 HydrophobicContact CB-SD 3.84Å; L515-M522 HydrophobicContact CD1-CE 3.66Å; L515-M522 HydrophobicContact CD1-SD 4.15Å
516N98.1Very high95.8Very high72 Ų7246.9 Ų46.939%0.38526%0.258SS..Hα-helixtrans-62.1-38.9173.2-79.6-54.6000112.2V512 K513 R518 G519 Q520 M522V512-N516 PolarHBondContact O-N 3.39Å; V512-N516 PolarHBondContact O-ND2 2.54Å; K513-N516 WeakPolarHBondContact O-CB 3.24Å; K513-N516 PolarHBondContact O-N 2.84Å; N516-R518 PolarHBondContact O-N 3.1Å; N516-G519 WeakPolarHBondContact O-CA 3.16Å; N516-G519 PolarHBondContact O-N 3.27Å; N516-Q520 WeakPolarHBondContact CA-O 3.32Å; N516-Q520 PolarHBondContact OD1-O 3.15Å; N516-M522 PolarHBondContact OD1-N 2.68Å
517T97.3Very high94.8Very high122 Ų12245.1 Ų45.175%0.74825%0.251SS*.Hα-helixtrans-66.5-24.1176.462.20000112.8K513 S514 L515 G519K513-T517 PolarHBondContact O-N 2.93Å; S514-T517 PolarHBondContact O-OG1 3.26Å; L515-T517 VanDerWaalsContact C-N 3.35Å; L515-T517 PolarHBondContact O-N 2.76Å; T517-G519 PolarHBondContact O-N 3.01Å
518R97.3Very high93.7Very high25 Ų2547.1 Ų47.19%0.09426%0.263CS..THydrogen-bonded Turntrans-81.32.2169.6-66.3173.8168.2-86.23.9113.1E294 D348 K349 A350 S514 L515 N516E294-R518 IonicContact OE1-CZ 3.21Å; E294-R518 IonicContact OE1-NH2 2.87Å; E294-R518 PolarHBondContact OE1-NH2 2.8Å; D348-R518 VanDerWaalsContact CA-NH1 3.28Å; D348-R518 WeakPolarHBondContact O-CG 3.46Å; D348-R518 PolarHBondContact O-NH1 3.39Å; D348-R518 IonicContact OD1-NH1 3.03Å; D348-R518 IonicContact OD2-CZ 2.77Å; D348-R518 IonicContact OD2-NH1 3.58Å; D348-R518 PolarHBondContact OD2-NH1 2.88Å; D348-R518 IonicContact OD2-NH2 2.7Å; D348-R518 PolarHBondContact OD2-NH2 3.41Å; K349-R518 CarbonylContact C-O 3.49Å; K349-R518 VanDerWaalsContact CA-O 3.32Å; K349-R518 WeakPolarHBondContact CA-O 3.49Å; A350-R518 PolarHBondContact N-O 2.6Å; S514-R518 WeakPolarHBondContact O-CG 3.32Å; S514-R518 PolarHBondContact O-N 3.13Å; L515-R518 CarbonylContact O-C 3.58Å; L515-R518 WeakPolarHBondContact O-CB 3.17Å; L515-R518 PolarHBondContact O-N 3.04Å; N516-R518 PolarHBondContact O-N 3.1Å
519G97.3Very high93.4Very high49 Ų4947.3 Ų47.351%0.50526%0.264SS..THydrogen-bonded Turntrans88.46.2177.600000114.9A350 L515 N516 T517 N521A350-G519 WeakPolarHBondContact CB-O 3.22Å; L515-G519 PolarHBondContact O-N 2.84Å; N516-G519 WeakPolarHBondContact O-CA 3.16Å; N516-G519 PolarHBondContact O-N 3.27Å; T517-G519 PolarHBondContact O-N 3.01Å; G519-N521 PolarHBondContact O-N 3Å
520Q97.3Very high93.2Very high2 Ų241.2 Ų41.21%0.00924%0.237CC..  trans-70.7122.6173.6-59.2-64.2-9.900109.4H301 I304 E305 A350 T501 L515 N516 M522H301-Q520 PolarHBondContact CE1-NE2 3.27Å; H301-Q520 PolarHBondContact ND1-NE2 3.41Å; I304-Q520 HydrophobicContact CD1-CG 4.34Å; E305-Q520 PolarHBondContact OE1-NE2 3.36Å; A350-Q520 HydrophobicContact CB-CG 4.45Å; T501-Q520 PolarHBondContact OG1-OE1 2.91Å; L515-Q520 HydrophobicContact CB-CB 4.19Å; L515-Q520 HydrophobicContact CB-CG 4.28Å; L515-Q520 HydrophobicContact CD2-CG 4.37Å; L515-Q520 WeakPolarHBondContact O-CB 3.48Å; L515-Q520 PolarHBondContact O-N 3.38Å; N516-Q520 WeakPolarHBondContact CA-O 3.32Å; N516-Q520 PolarHBondContact OD1-O 3.15Å; Q520-M522 HydrophobicContact CB-CG 4.15Å; Q520-M522 HydrophobicContact CB-SD 3.62Å; Q520-M522 PolarHBondContact O-N 3.45Å
521N96.8Very high93.1Very high74 Ų7441.2 Ų41.240%0.39624%0.237SC..  trans-76.386174177.411000110.3E499 R500 T501 G519 Q523E499-N521 PolarHBondContact O-ND2 3.11Å; R500-N521 CarbonylContact C-O 3.59Å; R500-N521 WeakPolarHBondContact CA-O 3.43Å; T501-N521 PolarHBondContact N-O 3.39Å; G519-N521 PolarHBondContact O-N 3Å; N521-Q523 PolarHBondContact OD1-NE2 2.94Å
522M97.3Very high93.2Very high9 Ų941.1 Ų41.14%0.04424%0.236CC..EExtended strand (participates in β ladder)trans-79.7125.3-174.1-56.7-60.6-69.700111.5L492 T501 Y503 V512 L515 N516 Q520L492-M522 HydrophobicContact CD2-CE 3.81Å; T501-M522 HydrophobicContact CG2-CE 3.99Å; T501-M522 HydrophobicContact CG2-SD 3.71Å; T501-M522 CarbonylContact O-C 3.57Å; T501-M522 WeakPolarHBondContact O-CA 3.5Å; Y503-M522 HydrophobicContact CD1-CB 3.89Å; Y503-M522 HydrophobicContact CD1-CE 3.89Å; Y503-M522 HydrophobicContact CE1-CB 3.76Å; Y503-M522 HydrophobicContact CG-CE 4.25Å; V512-M522 HydrophobicContact CG1-CB 3.79Å; V512-M522 HydrophobicContact CG1-CG 4.17Å; L515-M522 HydrophobicContact CB-CE 4.29Å; L515-M522 HydrophobicContact CB-CG 4.03Å; L515-M522 HydrophobicContact CB-SD 3.84Å; L515-M522 HydrophobicContact CD1-CE 3.66Å; L515-M522 HydrophobicContact CD1-SD 4.15Å; N516-M522 PolarHBondContact OD1-N 2.68Å; Q520-M522 HydrophobicContact CB-CG 4.15Å; Q520-M522 HydrophobicContact CB-SD 3.62Å; Q520-M522 PolarHBondContact O-N 3.45Å
523Q96Very high93.2Very high78 Ų7840.7 Ų40.736%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-128126.6179.7-64.9-65.4-36.100110.9R500 T501 Y502 Y503 N521R500-Q523 HydrophobicContact CB-CG 3.92Å; T501-Q523 PolarHBondContact O-N 2.77Å; Y502-Q523 VanDerWaalsContact CA-O 3.25Å; Y502-Q523 WeakPolarHBondContact CA-O 3.36Å; Y502-Q523 HydrophobicContact CD1-CB 4.24Å; Y503-Q523 VanDerWaalsContact CD1-C 3.46Å; Y503-Q523 VanDerWaalsContact CD1-O 3.31Å; Y503-Q523 WeakPolarHBondContact CD1-O 3.43Å; Y503-Q523 PolarHBondContact N-O 3.39Å; N521-Q523 PolarHBondContact OD1-NE2 2.94Å
524P95.8Very high93.3Very high50 Ų5036 Ų3633%0.32521%0.213SC..EExtended strand (participates in β ladder)trans-68.1144.5178.128.2-33.3000110.3Y503 R505Y503-P524 HydrophobicContact CE1-CB 4.26Å; Y503-P524 VanDerWaalsContact CE1-N 3.3Å; Y503-P524 HydrophobicContact CE2-CB 4.02Å; Y503-P524 CarbonylContact O-C 3.57Å; Y503-P524 WeakPolarHBondContact O-CA 3.45Å; R505-P524 HydrophobicContact CG-CB 4.2Å
525I91.9Very high93.3Very high33 Ų3335.8 Ų35.817%0.16921%0.209CC..EExtended strand (participates in β ladder)trans-134.4147.7170.6-158.4173.7000110.3Y502 Y503 V528Y502-I525 HydrophobicContact CD1-CB 3.99Å; Y502-I525 HydrophobicContact CD1-CD1 4Å; Y502-I525 HydrophobicContact CD1-CG1 4.39Å; Y502-I525 HydrophobicContact CE1-CD1 4.22Å; Y502-I525 HydrophobicContact CG-CD1 4.37Å; Y503-I525 PolarHBondContact O-N 3.17Å; I525-V528 HydrophobicContact CD1-CG2 4.38Å
526D82.1Confident93.3Very high97 Ų9736.8 Ų36.852%0.51922%0.215SC..  trans-73.4144.7166.3-64.2-53.6000109.5R505 V528R505-D526 IonicContact CZ-OD1 2.72Å; R505-D526 IonicContact CZ-OD2 3.46Å; R505-D526 IonicContact NE-OD1 3.98Å; R505-D526 PolarHBondContact NE-OD1 3.17Å; R505-D526 IonicContact NE-OD2 2.76Å; R505-D526 IonicContact NH2-OD1 3.66Å; R505-D526 PolarHBondContact NH2-OD1 3.41Å; R505-D526 IonicContact NH2-OD2 3.53Å; R505-D526 PolarHBondContact NH2-OD2 2.86Å; D526-V528 WeakPolarHBondContact O-CG2 3.23Å; D526-V528 PolarHBondContact O-N 3.3Å
527V71Confident93.2Very high55 Ų5534.8 Ų34.833%0.33321%0.206SC..  trans-59.4129.3-169.6174.80000112.1E504 R549E504-V527 HydrophobicContact CG-CG2 4.13Å; E504-V527 VanDerWaalsContact OE1-CG1 3.32Å; E504-V527 WeakPolarHBondContact OE1-CG1 3.48Å; E504-V527 WeakPolarHBondContact OE1-CG2 3.48Å; V527-R549 HydrophobicContact CG1-CB 3.66Å; V527-R549 HydrophobicContact CG1-CG 3.44Å; V527-R549 VanDerWaalsContact CG1-CG 3.44Å
528V71.9Confident92.8Very high46 Ų4638.2 Ų38.228%0.27921%0.21SC..  trans-142.320.2179.3-127.80000115.5G461 I525 D526G461-V528 WeakPolarHBondContact CA-O 3.27Å; I525-V528 HydrophobicContact CD1-CG2 4.38Å; D526-V528 WeakPolarHBondContact O-CG2 3.23Å; D526-V528 PolarHBondContact O-N 3.3Å
529T89.5Confident92.5Very high10 Ų1041.7 Ų41.76%0.06124%0.239CC..  trans-121.6149.3169.951.30000111.5A460 R464 T468 R491 R549A460-T529 VanDerWaalsContact O-CA 3.23Å; A460-T529 WeakPolarHBondContact O-CA 3.39Å; A460-T529 VanDerWaalsContact O-CB 3.29Å; A460-T529 WeakPolarHBondContact O-CB 3.32Å; A460-T529 WeakPolarHBondContact O-CG2 3.27Å; R464-T529 HydrophobicContact CB-CG2 3.29Å; R464-T529 HydrophobicContact CG-CG2 4.33Å; T468-T529 PolarHBondContact OG1-OG1 2.85Å; R491-T529 VanDerWaalsContact CD-OG1 3.3Å; R491-T529 WeakPolarHBondContact CD-OG1 3.26Å; R491-T529 VanDerWaalsContact NH1-C 3.27Å; R491-T529 PolarHBondContact NH1-O 2.65Å; R491-T529 PolarHBondContact NH1-OG1 2.89Å; T529-R549 WeakPolarHBondContact O-CD 2.94Å
530A92.8Very high92.3Very high7 Ų741.4 Ų41.46%0.05824%0.236CC..EExtended strand (participates in β ladder)trans-126.7131.3172.900000107.8S459 A460 D547 K550S459-A530 CarbonylContact C-O 3.34Å; S459-A530 WeakPolarHBondContact CA-O 3.49Å; S459-A530 WeakPolarHBondContact CB-O 3.34Å; S459-A530 PolarHBondContact OG-O 3.45Å; A460-A530 PolarHBondContact N-O 2.87Å; A460-A530 PolarHBondContact O-N 2.84Å; A530-D547 WeakPolarHBondContact CA-OD2 3.48Å; A530-K550 HydrophobicContact CB-CB 3.62Å; A530-K550 HydrophobicContact CB-CD 3.94Å; A530-K550 HydrophobicContact CB-CG 4.4Å
531A95.8Very high92.3Very high0 Ų045.3 Ų45.30%025%0.254CS..EExtended strand (participates in β ladder)trans-121.9156.5179.800000111.5G458 T468 M472 M487 D547G458-A531 WeakPolarHBondContact O-CA 3.3Å; T468-A531 HydrophobicContact CG2-CB 4.06Å; M472-A531 HydrophobicContact CE-CB 3.77Å; M472-A531 HydrophobicContact SD-CB 3.28Å; M472-A531 WeakPolarHBondContact SD-CB 3.29Å; M487-A531 HydrophobicContact CE-CB 4.33Å; M487-A531 WeakPolarHBondContact CE-O 3.03Å; A531-D547 VanDerWaalsContact N-CB 3.29Å; A531-D547 PolarHBondContact N-OD2 2.99Å; A531-D547 VanDerWaalsContact N-OD2 3.15Å; A531-D547 WeakPolarHBondContact O-CB 3.43Å; A531-D547 PolarHBondContact O-N 3.49Å
532T97.7Very high92.4Very high0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-128.3151.7164.781.30000108.7A24 D26 H370 G372 G458A24-T532 VanDerWaalsContact O-CB 3.26Å; A24-T532 WeakPolarHBondContact O-CB 3.25Å; A24-T532 PolarHBondContact O-OG1 3.48Å; D26-T532 WeakPolarHBondContact OD1-CG2 3.45Å; H370-T532 PolarHBondContact CD2-OG1 2.9Å; G372-T532 PolarHBondContact N-OG1 2.78Å; G458-T532 PolarHBondContact N-O 3.38Å; G458-T532 PolarHBondContact O-N 2.88Å
533G98.2Very high92.4Very high0 Ų042.3 Ų42.30%024%0.238CC..EExtended strand (participates in β ladder)trans-154.4140.6-177.400000112.6V456 A544 N545V456-G533 CarbonylContact O-C 3.57Å; V456-G533 VanDerWaalsContact O-CA 3.31Å; V456-G533 WeakPolarHBondContact O-CA 3.36Å; G533-A544 CarbonylContact O-C 3.17Å; G533-A544 VanDerWaalsContact O-CA 3.28Å; G533-A544 WeakPolarHBondContact O-CA 3.37Å; G533-N545 PolarHBondContact N-O 3.11Å; G533-N545 VanDerWaalsContact N-O 3.1Å; G533-N545 PolarHBondContact O-N 3.04Å
534I98.8Very high92.5Very high0 Ų038.6 Ų38.60%022%0.221CC..EExtended strand (participates in β ladder)trans-124.4116.5169.3-56.4171.1000107.5A22 A24 G372 L374 L455 V456 I542 L543 A544A22-I534 HydrophobicContact CB-CD1 4.06Å; A22-I534 HydrophobicContact CB-CG1 4.35Å; A22-I534 HydrophobicContact CB-CG2 4.1Å; A22-I534 VanDerWaalsContact O-CD1 3.31Å; A22-I534 WeakPolarHBondContact O-CD1 3.06Å; A24-I534 HydrophobicContact CB-CD1 4.45Å; A24-I534 HydrophobicContact CB-CG1 3.95Å; G372-I534 WeakPolarHBondContact O-CD1 3.34Å; L374-I534 HydrophobicContact CB-CD1 4.29Å; L374-I534 HydrophobicContact CB-CG2 4.14Å; L374-I534 HydrophobicContact CD2-CG2 4.13Å; L455-I534 CarbonylContact C-O 3.48Å; L455-I534 VanDerWaalsContact CA-O 3.26Å; L455-I534 WeakPolarHBondContact CA-O 3.47Å; V456-I534 HydrophobicContact CB-CB 4.13Å; V456-I534 HydrophobicContact CG2-CB 4.38Å; V456-I534 PolarHBondContact N-O 3Å; V456-I534 PolarHBondContact O-N 3.17Å; I534-I542 HydrophobicContact CG2-CG2 3.54Å; I534-L543 CarbonylContact C-O 3.58Å; I534-L543 WeakPolarHBondContact CA-O 3.44Å; I534-A544 HydrophobicContact CG1-CB 4Å
535Q98.6Very high92.7Very high23 Ų2336.3 Ų36.311%0.10721%0.205CC..EExtended strand (participates in β ladder)trans-106.9135177179.5-172.322.200109.7R454 L455 S476 E481 I483 L543R454-Q535 WeakPolarHBondContact O-CA 3.32Å; L455-Q535 HydrophobicContact CD1-CB 3.91Å; L455-Q535 HydrophobicContact CD1-CG 4.47Å; S476-Q535 PolarHBondContact O-NE2 3.49Å; S476-Q535 PolarHBondContact OG-NE2 2.73Å; E481-Q535 PolarHBondContact O-NE2 2.83Å; E481-Q535 VanDerWaalsContact O-NE2 3.12Å; I483-Q535 HydrophobicContact CB-CB 3.94Å; I483-Q535 HydrophobicContact CG2-CB 4.44Å; Q535-L543 HydrophobicContact CB-CB 4.42Å; Q535-L543 PolarHBondContact N-O 3.39Å; Q535-L543 PolarHBondContact O-N 3.4Å
536V98.1Very high92.9Very high20 Ų2034.8 Ų34.812%0.12120%0.198CC..EExtended strand (participates in β ladder)trans-106.1118.1170.4-173.20000108.6L374 V453 R454 Q541L374-V536 HydrophobicContact CD2-CG2 3.45Å; L374-V536 VanDerWaalsContact CD2-CG2 3.45Å; V453-V536 HydrophobicContact CG1-CG2 4.49Å; V453-V536 WeakPolarHBondContact O-CB 3.31Å; V453-V536 WeakPolarHBondContact O-CG2 3.38Å; R454-V536 PolarHBondContact NE-O 3.04Å; R454-V536 PolarHBondContact O-N 2.84Å; V536-Q541 WeakPolarHBondContact CA-O 3.44Å
537T95.1Very high93.5Very high30 Ų3030.3 Ų30.318%0.18417%0.174CC..  trans-72.6165.4-179.773.50000110.9S539 G540 Q541 L543T537-S539 PolarHBondContact O-N 3.17Å; T537-S539 PolarHBondContact OG1-N 3.25Å; T537-S539 PolarHBondContact OG1-OG 3.46Å; T537-G540 PolarHBondContact O-N 3.3Å; T537-Q541 HydrophobicContact CG2-CB 4.15Å; T537-Q541 PolarHBondContact N-O 3.31Å; T537-Q541 WeakPolarHBondContact OG1-CB 3.49Å; T537-Q541 PolarHBondContact OG1-N 2.9Å; T537-Q541 VanDerWaalsContact OG1-N 3.1Å; T537-Q541 PolarHBondContact OG1-O 3.32Å; T537-L543 HydrophobicContact CG2-CD1 3.71Å; T537-L543 HydrophobicContact CG2-CG 3.9Å
538K88.8Confident94.6Very high194 Ų19432 Ų3284%0.84317%0.174SC*.THydrogen-bonded Turntrans-61.9-23.4174-65.5-175.7-178.8178.30113.2G540K538-G540 VanDerWaalsContact C-N 3.26Å
539S91.4Very high95.5Very high99 Ų9931.1 Ų31.169%0.69217%0.166SC*.THydrogen-bonded Turntrans-82.2-1.6174.857.40000113.3T537T537-S539 PolarHBondContact O-N 3.17Å; T537-S539 PolarHBondContact OG1-N 3.25Å; T537-S539 PolarHBondContact OG1-OG 3.46Å
540G93.5Very high95.6Very high43 Ų4331.7 Ų31.744%0.44317%0.167SC..SBendtrans83.57.7-177.700000114.4T537 K538T537-G540 PolarHBondContact O-N 3.3Å; K538-G540 VanDerWaalsContact C-N 3.26Å
541Q96.7Very high95.4Very high83 Ų8333.8 Ų33.839%0.38818%0.18SC..  trans-74.5137175.1-169.9176.12.400110V17 V536 T537 L543V17-Q541 HydrophobicContact CG1-CG 3.95Å; V536-Q541 WeakPolarHBondContact CA-O 3.44Å; T537-Q541 HydrophobicContact CG2-CB 4.15Å; T537-Q541 PolarHBondContact N-O 3.31Å; T537-Q541 WeakPolarHBondContact OG1-CB 3.49Å; T537-Q541 PolarHBondContact OG1-N 2.9Å; T537-Q541 VanDerWaalsContact OG1-N 3.1Å; T537-Q541 PolarHBondContact OG1-O 3.32Å; Q541-L543 HydrophobicContact CG-CD2 4.01Å
542I98.6Very high95.2Very high9 Ų935.8 Ų35.85%0.04620%0.201CC..EExtended strand (participates in β ladder)trans-98.5113.3178.4-56.5168.6000107.9V17 Y18 A22 L374 I534V17-I542 WeakPolarHBondContact CA-O 3.38Å; Y18-I542 PolarHBondContact N-O 3.38Å; Y18-I542 PolarHBondContact O-N 3.2Å; A22-I542 HydrophobicContact CB-CG2 3.56Å; L374-I542 HydrophobicContact CD2-CD1 3.86Å; L374-I542 HydrophobicContact CD2-CG1 3.97Å; L374-I542 HydrophobicContact CD2-CG2 4.06Å; I534-I542 HydrophobicContact CG2-CG2 3.54Å
543L98.6Very high95Very high12 Ų1236.5 Ų36.56%0.06321%0.209CC..EExtended strand (participates in β ladder)trans-101.7131.2173.5-52.1-179.3000108.2E15 G16 V17 T482 I483 I534 Q535 T537 Q541E15-L543 HydrophobicContact CG-CB 4.45Å; G16-L543 CarbonylContact O-C 3.59Å; G16-L543 WeakPolarHBondContact O-CA 3.48Å; V17-L543 HydrophobicContact CG1-CD2 4.46Å; V17-L543 HydrophobicContact CG2-CD2 3.88Å; T482-L543 HydrophobicContact CG2-CD1 4.16Å; I483-L543 HydrophobicContact CG2-CB 4.03Å; I534-L543 CarbonylContact C-O 3.58Å; I534-L543 WeakPolarHBondContact CA-O 3.44Å; Q535-L543 HydrophobicContact CB-CB 4.42Å; Q535-L543 PolarHBondContact N-O 3.39Å; Q535-L543 PolarHBondContact O-N 3.4Å; T537-L543 HydrophobicContact CG2-CD1 3.71Å; T537-L543 HydrophobicContact CG2-CG 3.9Å; Q541-L543 HydrophobicContact CG-CD2 4.01Å
544A98.6Very high94.9Very high0 Ų040.7 Ų40.70%023%0.225CC..EExtended strand (participates in β ladder)trans-133.8150.4177.300000110.6G16 Y18 A22 A24 G533 I534 P555G16-A544 PolarHBondContact N-O 3.22Å; G16-A544 PolarHBondContact O-N 2.83Å; Y18-A544 HydrophobicContact CD2-CB 4.39Å; Y18-A544 HydrophobicContact CE2-CB 4.03Å; A22-A544 HydrophobicContact CB-CB 4.07Å; A24-A544 HydrophobicContact CB-CB 4.41Å; G533-A544 CarbonylContact O-C 3.17Å; G533-A544 VanDerWaalsContact O-CA 3.28Å; G533-A544 WeakPolarHBondContact O-CA 3.37Å; I534-A544 HydrophobicContact CG1-CB 4Å; A544-P555 HydrophobicContact CB-CB 3.6Å; A544-P555 HydrophobicContact CB-CG 4.25Å; A544-P555 WeakPolarHBondContact O-CG 3.46Å
545N98.2Very high94.9Very high1 Ų141.1 Ų41.11%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-149.5154.4173-158.133.5000111.2S13 T14 I483 M487 G533S13-N545 PolarHBondContact OG-ND2 3.24Å; S13-N545 VanDerWaalsContact OG-ND2 3.12Å; T14-N545 PolarHBondContact O-OD1 3.03Å; T14-N545 VanDerWaalsContact O-OD1 3.08Å; I483-N545 HydrophobicContact CG2-CB 4.08Å; M487-N545 HydrophobicContact CE-CB 4.04Å; M487-N545 WeakPolarHBondContact CE-O 3.44Å; M487-N545 HydrophobicContact SD-CB 3.87Å; M487-N545 PolarHBondContact SD-ND2 3.08Å; G533-N545 PolarHBondContact N-O 3.11Å; G533-N545 VanDerWaalsContact N-O 3.1Å; G533-N545 PolarHBondContact O-N 3.04Å
546S97.2Very high94.9Very high1 Ų140.2 Ų40.21%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-120.9141.4168.1-60.80000108.7A25 W548A25-S546 WeakPolarHBondContact O-CB 3.28Å; A25-S546 PolarHBondContact O-OG 3.18Å; S546-W548 PolarHBondContact O-N 2.66Å
547D95.3Very high94.9Very high3 Ų339.9 Ų39.92%0.01623%0.225CC..  trans-72.1125.5-167.8-1710.4000113.1M487 R491 A530 A531 R549 K550M487-D547 HydrophobicContact CG-CB 4.02Å; M487-D547 WeakPolarHBondContact SD-CA 3.45Å; M487-D547 HydrophobicContact SD-CB 3.75Å; M487-D547 PolarHBondContact SD-N 3.03Å; R491-D547 IonicContact CZ-OD2 3.56Å; R491-D547 IonicContact NH1-OD2 3.9Å; R491-D547 PolarHBondContact NH1-OD2 2.88Å; R491-D547 IonicContact NH2-OD1 2.77Å; R491-D547 IonicContact NH2-OD2 3.73Å; R491-D547 PolarHBondContact NH2-OD2 3.14Å; A530-D547 WeakPolarHBondContact CA-OD2 3.48Å; A531-D547 VanDerWaalsContact N-CB 3.29Å; A531-D547 PolarHBondContact N-OD2 2.99Å; A531-D547 VanDerWaalsContact N-OD2 3.15Å; A531-D547 WeakPolarHBondContact O-CB 3.43Å; A531-D547 PolarHBondContact O-N 3.49Å; D547-R549 PolarHBondContact O-N 3.2Å; D547-R549 WeakPolarHBondContact OD1-CB 3.42Å; D547-R549 WeakPolarHBondContact OD1-CD 3.31Å; D547-R549 WeakPolarHBondContact OD1-CG 3.26Å; D547-R549 PolarHBondContact OD1-N 3.41Å; D547-R549 IonicContact OD1-NH1 2.75Å; D547-R549 PolarHBondContact OD1-NH1 3.03Å; D547-R549 VanDerWaalsContact OD1-NH1 3.11Å; D547-R549 WeakPolarHBondContact OD2-CD 3.43Å; D547-K550 PolarHBondContact O-N 3.34Å
548W93Very high95Very high90 Ų9042.3 Ų42.334%0.34123%0.231SC..THydrogen-bonded Turntrans-59.4-21.8178.867.1-87.5000113.2S11 L506 S546 K550S11-W548 VanDerWaalsContact CB-CG 3.41Å; L506-W548 HydrophobicContact CD1-CH2 4.26Å; L506-W548 HydrophobicContact CD1-CZ2 4.29Å; S546-W548 PolarHBondContact O-N 2.66Å; W548-K550 PolarHBondContact O-N 3.09Å
549R92Very high95.4Very high29 Ų2934.7 Ų34.711%0.10920%0.201CC..THydrogen-bonded Turntrans-65.6-19.3178.1-61.5171.1167.782.2-4113M487 A489 R491 E504 V527 T529 D547M487-R549 PolarHBondContact O-NH1 3.2Å; A489-R549 PolarHBondContact O-NH2 3.1Å; R491-R549 VanDerWaalsContact NH1-CD 3.28Å; E504-R549 IonicContact OE1-CZ 3.77Å; E504-R549 IonicContact OE1-NE 3.19Å; E504-R549 PolarHBondContact OE1-NE 2.69Å; E504-R549 IonicContact OE1-NH2 2.76Å; E504-R549 IonicContact OE2-CZ 2.73Å; E504-R549 IonicContact OE2-NE 2.78Å; E504-R549 PolarHBondContact OE2-NE 2.93Å; E504-R549 IonicContact OE2-NH2 3.88Å; E504-R549 PolarHBondContact OE2-NH2 3.44Å; V527-R549 HydrophobicContact CG1-CB 3.66Å; V527-R549 HydrophobicContact CG1-CG 3.44Å; V527-R549 VanDerWaalsContact CG1-CG 3.44Å; T529-R549 WeakPolarHBondContact O-CD 2.94Å; D547-R549 PolarHBondContact O-N 3.2Å; D547-R549 WeakPolarHBondContact OD1-CB 3.42Å; D547-R549 WeakPolarHBondContact OD1-CD 3.31Å; D547-R549 WeakPolarHBondContact OD1-CG 3.26Å; D547-R549 PolarHBondContact OD1-N 3.41Å; D547-R549 IonicContact OD1-NH1 2.75Å; D547-R549 PolarHBondContact OD1-NH1 3.03Å; D547-R549 VanDerWaalsContact OD1-NH1 3.11Å; D547-R549 WeakPolarHBondContact OD2-CD 3.43Å
550K90.3Very high95.6Very high21 Ų2131.3 Ų31.39%0.09118%0.175CC..SBendtrans-113.195.3166.7-166.7175.1-178.9-172.20108.4D26 D59 A155 A530 D547 W548 G552 G553D26-K550 HydrophobicContact CB-CD 3.88Å; D26-K550 WeakPolarHBondContact OD2-CD 3.48Å; D26-K550 IonicContact OD2-NZ 3.66Å; D26-K550 PolarHBondContact OD2-NZ 2.82Å; D59-K550 VanDerWaalsContact OD2-CE 3.26Å; D59-K550 WeakPolarHBondContact OD2-CE 3.49Å; D59-K550 IonicContact OD2-NZ 3.11Å; D59-K550 PolarHBondContact OD2-NZ 2.59Å; A155-K550 HydrophobicContact CB-CG 3.9Å; A530-K550 HydrophobicContact CB-CB 3.62Å; A530-K550 HydrophobicContact CB-CD 3.94Å; A530-K550 HydrophobicContact CB-CG 4.4Å; D547-K550 PolarHBondContact O-N 3.34Å; W548-K550 PolarHBondContact O-N 3.09Å; K550-G552 PolarHBondContact O-N 3.42Å; K550-G553 PolarHBondContact O-N 3.38Å
551P89.9Confident95.7Very high51 Ų5130.7 Ų30.733%0.33116%0.16SC..THydrogen-bonded Turntrans-60.9139-172.9-24.934.8000112.5Q154Q154-P551 HydrophobicContact CB-CB 3.98Å; Q154-P551 HydrophobicContact CG-CB 4.24Å; Q154-P551 HydrophobicContact CG-CG 4.41Å
552G89.6Confident95.6Very high42 Ų4227.6 Ų27.643%0.43315%0.147SC..THydrogen-bonded Turntrans100.9-10-179.300000114.4G28 K550G28-G552 PolarHBondContact N-O 2.73Å; K550-G552 PolarHBondContact O-N 3.42Å
553G94Very high95.4Very high16 Ų1628.8 Ų28.817%0.16515%0.153CC..  trans-73.7134.5170.100000112.4D26 K550D26-G553 WeakPolarHBondContact O-CA 3.08Å; D26-G553 PolarHBondContact O-N 2.96Å; K550-G553 PolarHBondContact O-N 3.38Å
554Y97.2Very high95.2Very high88 Ų8829.9 Ų29.935%0.34516%0.159SC..  trans-154.3152.3164.954.5-95.6000109.8G28 S31 E32G28-Y554 VanDerWaalsContact CA-CE1 3.47Å; G28-Y554 WeakPolarHBondContact CA-O 3.36Å; G28-Y554 WeakPolarHBondContact O-CE2 3.35Å; S31-Y554 WeakPolarHBondContact CB-O 3.45Å; S31-Y554 PolarHBondContact OG-O 3.29Å; E32-Y554 HydrophobicContact CG-CE2 4Å; E32-Y554 VanDerWaalsContact OE1-CE2 3.23Å; E32-Y554 WeakPolarHBondContact OE1-CE2 3.44Å; E32-Y554 VanDerWaalsContact OE1-CZ 3.31Å; E32-Y554 PolarHBondContact OE1-OH 3.13Å
555P98.2Very high95Very high9 Ų932 Ų326%0.05817%0.17CC..EExtended strand (participates in β ladder)trans-77.9159.3176.234.7-38.1000111.9Y18 V23 A24 A544Y18-P555 HydrophobicContact CE2-CB 4.27Å; Y18-P555 VanDerWaalsContact OH-C 3.3Å; Y18-P555 PolarHBondContact OH-O 2.82Å; Y18-P555 VanDerWaalsContact OH-O 3.07Å; V23-P555 CarbonylContact O-C 3.45Å; V23-P555 VanDerWaalsContact O-CA 3.24Å; V23-P555 WeakPolarHBondContact O-CA 3.08Å; A24-P555 HydrophobicContact CB-CB 4.31Å; A544-P555 HydrophobicContact CB-CB 3.6Å; A544-P555 HydrophobicContact CB-CG 4.25Å; A544-P555 WeakPolarHBondContact O-CG 3.46Å
556A98.6Very high94.7Very high4 Ų434.4 Ų34.43%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-138143.9171.700000110.3Y18 A22 V23 E32 R35Y18-A556 WeakPolarHBondContact OH-CA 3.48Å; Y18-A556 PolarHBondContact OH-N 3.01Å; A22-A556 CarbonylContact C-O 3.55Å; A22-A556 WeakPolarHBondContact CA-O 3.39Å; V23-A556 PolarHBondContact N-O 2.93Å; V23-A556 PolarHBondContact O-N 3.04Å; E32-A556 HydrophobicContact CG-CB 4.18Å; R35-A556 HydrophobicContact CB-CB 3.88Å; R35-A556 HydrophobicContact CG-CB 4.44Å
557G98.2Very high94.5Very high13 Ų1337.2 Ų37.213%0.13420%0.198CC..EExtended strand (participates in β ladder)trans-170.8-175.4-175.900000111.9Y18 A21 R35Y18-G557 VanDerWaalsContact CE1-CA 3.48Å; Y18-G557 VanDerWaalsContact CE1-N 3.27Å; Y18-G557 VanDerWaalsContact CZ-N 3.33Å; A21-G557 CarbonylContact O-C 3.59Å; A21-G557 WeakPolarHBondContact O-CA 3.48Å; R35-G557 WeakPolarHBondContact CD-O 3.47Å
558Y97.9Very high94.4Very high80 Ų8040.3 Ų40.331%0.31421%0.214SC..  trans-150.60177.557.4-84.1000112.9K19 H20 A21 R35 L38 L39K19-Y558 PolarHBondContact N-O 3.07Å; H20-Y558 WeakPolarHBondContact CA-O 3.37Å; H20-Y558 HydrophobicContact CB-CD2 3.86Å; H20-Y558 HydrophobicContact CB-CE2 3.88Å; H20-Y558 WeakPolarHBondContact CB-O 3.43Å; H20-Y558 PolarHBondContact N-O 3.39Å; A21-Y558 HydrophobicContact CB-CD1 4.27Å; A21-Y558 HydrophobicContact CB-CE1 3.72Å; A21-Y558 HydrophobicContact CB-CE2 4.45Å; A21-Y558 PolarHBondContact N-O 2.99Å; A21-Y558 VanDerWaalsContact N-O 3.17Å; A21-Y558 PolarHBondContact O-N 3.03Å; A21-Y558 VanDerWaalsContact O-N 3.13Å; R35-Y558 HydrophobicContact CG-CD1 3.99Å; L38-Y558 HydrophobicContact CB-CE1 3.77Å; L38-Y558 PolarHBondContact O-OH 2.67Å; L39-Y558 HydrophobicContact CD2-CD1 3.55Å; L39-Y558 HydrophobicContact CD2-CD2 3.86Å; L39-Y558 HydrophobicContact CD2-CE1 3.7Å; L39-Y558 HydrophobicContact CD2-CE2 3.99Å; L39-Y558 HydrophobicContact CD2-CG 3.63Å; L39-Y558 HydrophobicContact CG-CD1 3.79Å; L39-Y558 HydrophobicContact CG-CE1 3.77Å; L39-Y558 HydrophobicContact CG-CG 4.37Å

Retrieved 558 of 558 residues in 740.4 ms (Link to these results)

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