A0A077ZAX2_TRITR Loading...

lysine decarboxylase

AlphaFold DB , UniProt , Accession A0A077ZAX2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 728 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
1M30.2Very low30.1Very low243 Ų243149.2 Ų149.2100%1.19781%0.81SS**  0124.20-153.1171.7-10500105.8
2C29.1Very low31.6Very low118 Ų118150.6 Ų150.680%0.79781%0.81SS**  trans-76.6129.5-139.6-500000115.3
3W29.2Very low34.3Very low266 Ų266143.8 Ų143.8100%1.00878%0.777SS**  trans-145.473.2149-83.188.6000107.4
4E30.9Very low38.3Very low199 Ų199137 Ų13793%0.9374%0.739SS**  trans-100.4106.3159.1-78.6-175.3176.100106.9
5G28.9Very low42.2Very low57 Ų57129.9 Ų129.959%0.58870%0.7SS**  trans-144.6111.8164.500000106.6F7G5-F7 PolarHBondContact O-N 2.76Å; G5-F7 VanDerWaalsContact O-N 3.12Å
6P33.9Very low45.6Very low118 Ų118122.6 Ų122.677%0.76666%0.661SS**  trans-71.5110.5176.228.3-28.5000107.3L8P6-L8 PolarHBondContact O-N 2.92Å
7F28.3Very low48.7Very low211 Ų211115.4 Ų115.493%0.92562%0.623SS**  trans-62.589.2154.7-96.2-94000106.5G5G5-F7 PolarHBondContact O-N 2.76Å; G5-F7 VanDerWaalsContact O-N 3.12Å
8L25.5Very low51.5Low141 Ų141108.9 Ų108.974%0.73859%0.588SS**  trans-56.8129.1158.7-72.9168000106P6 G10P6-L8 PolarHBondContact O-N 2.92Å; L8-G10 VanDerWaalsContact C-N 3.35Å; L8-G10 PolarHBondContact O-N 2.73Å
9P30.2Very low53.9Low116 Ų116103.3 Ų103.375%0.75356%0.557SS**  trans-59.8105.5172.624.2-30.5000106.7D11P9-D11 PolarHBondContact O-N 3.1Å
10G30.1Very low56Low57 Ų5798.2 Ų98.259%0.58853%0.53SS*.  trans-53.5137.3-174.100000110.6L8 M12L8-G10 VanDerWaalsContact C-N 3.35Å; L8-G10 PolarHBondContact O-N 2.73Å; G10-M12 VanDerWaalsContact C-N 3.35Å; G10-M12 PolarHBondContact O-N 2.78Å
11D35.2Very low56.8Low115 Ų11595.1 Ų95.162%0.61551%0.513SS*.  trans-43.894.7172-93-37000110.7P9 T13P9-D11 PolarHBondContact O-N 3.1Å; D11-T13 HydrophobicContact CB-CG2 4.48Å; D11-T13 PolarHBondContact O-N 3.31Å
12M47.6Very low59Low166 Ų16690.5 Ų90.582%0.81849%0.489SS*.  trans-78.142.4170.8-74.2-163.6-77.200110.3G10G10-M12 VanDerWaalsContact C-N 3.35Å; G10-M12 PolarHBondContact O-N 2.78Å
13T67.3Low61.5Low62 Ų6286.9 Ų86.938%0.3846%0.46SS..  trans-98.7145.7-173.852.70000111.7D11 N15D11-T13 HydrophobicContact CB-CG2 4.48Å; D11-T13 PolarHBondContact O-N 3.31Å; T13-N15 PolarHBondContact O-N 3.48Å; T13-N15 VanDerWaalsContact O-N 3.13Å; T13-N15 PolarHBondContact O-OD1 3.19Å; T13-N15 VanDerWaalsContact O-OD1 3.13Å
14M90Very high64.2Low49 Ų4977.1 Ų77.124%0.24144%0.442CS..  trans-74.289.6170.9178.26963.500108.4A63 R64 C66 Y137 I138M14-A63 WeakPolarHBondContact CE-O 3.4Å; M14-R64 VanDerWaalsContact SD-C 3.5Å; M14-R64 WeakPolarHBondContact SD-CA 3.36Å; M14-R64 HydrophobicContact SD-CB 4.43Å; M14-R64 VanDerWaalsContact SD-O 3.34Å; M14-C66 HydrophobicContact CG-CB 3.53Å; M14-C66 HydrophobicContact SD-CB 3.85Å; M14-Y137 HydrophobicContact CG-CE1 4.27Å; M14-Y137 HydrophobicContact SD-CE1 4.26Å; M14-I138 HydrophobicContact CB-CD1 4.03Å; M14-I138 HydrophobicContact CB-CG1 4.29Å; M14-I138 HydrophobicContact CG-CD1 4.38Å; M14-I138 HydrophobicContact CG-CG1 4.23Å
15N96Very high67.2Low30 Ų3070.2 Ų70.216%0.1641%0.414CS..  trans-139.318.4-164.173.3-24.4000115.3T13 N43 F44 Q45T13-N15 PolarHBondContact O-N 3.48Å; T13-N15 VanDerWaalsContact O-N 3.13Å; T13-N15 PolarHBondContact O-OD1 3.19Å; T13-N15 VanDerWaalsContact O-OD1 3.13Å; N15-N43 PolarHBondContact ND2-O 3.04Å; N15-F44 HydrophobicContact CB-CD1 4.16Å; N15-F44 CarbonylContact O-C 3.28Å; N15-F44 WeakPolarHBondContact O-CA 3.34Å; N15-F44 WeakPolarHBondContact O-CD1 3.03Å; N15-Q45 PolarHBondContact O-N 2.86Å
16V97.9Very high70.2Confident13 Ų1374.7 Ų74.78%0.07941%0.414CS..EExtended strand (participates in β ladder)trans-94.7126.7177.6-179.90000110.1Q45 V47 R64 L65 C66V16-Q45 WeakPolarHBondContact CA-O 3.17Å; V16-Q45 HydrophobicContact CG2-CB 4.36Å; V16-V47 HydrophobicContact CG1-CG1 4.02Å; V16-V47 HydrophobicContact CG1-CG2 3.85Å; V16-R64 HydrophobicContact CG2-CB 4.32Å; V16-R64 PolarHBondContact N-O 2.7Å; V16-L65 WeakPolarHBondContact O-CA 3.44Å; V16-C66 PolarHBondContact O-N 3.38Å; V16-C66 PolarHBondContact O-SG 2.82Å
17I98.2Very high73Confident0 Ų075.1 Ų75.10%040%0.404CS..EExtended strand (participates in β ladder)trans-118128.5175.3-58.3-65.7000109.3L39 F44 Q45 I46 V47 C66 I69 Y93 I130I17-L39 HydrophobicContact CG2-CD1 4.3Å; I17-F44 HydrophobicContact CD1-CD1 4.03Å; I17-F44 HydrophobicContact CD1-CE1 4.1Å; I17-F44 HydrophobicContact CG1-CB 4.15Å; I17-F44 HydrophobicContact CG1-CD1 3.56Å; I17-F44 HydrophobicContact CG1-CE1 4.13Å; I17-F44 HydrophobicContact CG1-CG 3.96Å; I17-Q45 PolarHBondContact N-O 2.81Å; I17-I46 HydrophobicContact CB-CD1 3.98Å; I17-I46 WeakPolarHBondContact O-CA 3.35Å; I17-V47 PolarHBondContact O-N 3.02Å; I17-C66 VanDerWaalsContact CD1-SG 3.6Å; I17-I69 HydrophobicContact CG2-CD1 3.67Å; I17-I69 HydrophobicContact CG2-CG1 4.07Å; I17-Y93 HydrophobicContact CD1-CE2 4.28Å; I17-I130 HydrophobicContact CD1-CG2 4.22Å
18A98.2Very high76.1Confident0 Ų065.9 Ų65.90%036%0.363CS..EExtended strand (participates in β ladder)trans-94.7130.5175.200000111.3V47 P49 L55 L65 G67 V68 I69A18-V47 CarbonylContact C-O 3.6Å; A18-V47 WeakPolarHBondContact CA-O 3.49Å; A18-V47 HydrophobicContact CB-CG2 3.84Å; A18-P49 HydrophobicContact CB-CG 4.35Å; A18-L55 HydrophobicContact CB-CD1 3.69Å; A18-L65 HydrophobicContact CB-CD1 3.78Å; A18-L65 HydrophobicContact CB-CG 4.49Å; A18-G67 PolarHBondContact N-O 2.98Å; A18-V68 CarbonylContact O-C 3.57Å; A18-V68 WeakPolarHBondContact O-CA 3.41Å; A18-I69 PolarHBondContact O-N 3.42Å
19I97.8Very high79.4Confident1 Ų161.4 Ų61.41%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-110.9108.5173.2-58.4-175.8000108.7N21 I32 I46 V47 Y48 I69I19-N21 HydrophobicContact CG2-CB 4.2Å; I19-I32 HydrophobicContact CD1-CG2 4.35Å; I19-I32 HydrophobicContact CG2-CG2 3.76Å; I19-I46 HydrophobicContact CD1-CG2 3.54Å; I19-I46 HydrophobicContact CG1-CG2 3.8Å; I19-V47 PolarHBondContact N-O 3.31Å; I19-Y48 HydrophobicContact CB-CD1 3.96Å; I19-Y48 HydrophobicContact CB-CE1 3.67Å; I19-Y48 HydrophobicContact CD1-CE1 4.28Å; I19-Y48 HydrophobicContact CG1-CE1 4.47Å; I19-Y48 HydrophobicContact CG2-CD1 4.26Å; I19-Y48 HydrophobicContact CG2-CE1 3.77Å; I19-Y48 WeakPolarHBondContact O-CD1 3.37Å; I19-I69 HydrophobicContact CD1-CD1 4.2Å; I19-I69 HydrophobicContact CG1-CB 4.16Å; I19-I69 HydrophobicContact CG1-CD1 3.94Å
20L95.4Very high82.5Confident2 Ų257.2 Ų57.21%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-100.183.6174.7-176.468.9000108.8P49 L55 I69 F70 Y75 L79L20-P49 HydrophobicContact CB-CG 4.21Å; L20-P49 HydrophobicContact CD1-CB 4.41Å; L20-P49 HydrophobicContact CD1-CG 4.03Å; L20-P49 WeakPolarHBondContact CD1-O 3.49Å; L20-L55 HydrophobicContact CD2-CD2 4.1Å; L20-I69 PolarHBondContact N-O 3.39Å; L20-F70 HydrophobicContact CB-CB 4.43Å; L20-Y75 HydrophobicContact CD2-CD1 3.78Å; L20-Y75 HydrophobicContact CD2-CD2 3.97Å; L20-Y75 HydrophobicContact CD2-CE1 3.7Å; L20-Y75 HydrophobicContact CD2-CE2 3.88Å; L20-Y75 HydrophobicContact CD2-CG 3.92Å; L20-Y75 HydrophobicContact CG-CD2 4.31Å; L20-Y75 HydrophobicContact CG-CE1 4.21Å; L20-Y75 HydrophobicContact CG-CE2 3.81Å; L20-L79 HydrophobicContact CD2-CD1 3.97Å
21N73.8Confident85.6Confident34 Ų3454.9 Ų54.918%0.18228%0.284CS..  trans-152.6116.1179.2-126.9-10.2000113.6I19 M23 Y118I19-N21 HydrophobicContact CG2-CB 4.2Å; N21-M23 WeakPolarHBondContact OD1-CG 3.07Å; N21-M23 PolarHBondContact OD1-SD 3.21Å; N21-Y118 PolarHBondContact ND2-OH 3.26Å
22H75.8Confident88.5Confident146 Ų14650 Ų5068%0.67626%0.257SS*.  trans-132.6105.3159.2-165.9-53.7000106.9K74H22-K74 PolarHBondContact O-NZ 3.16Å
23M81.1Confident90.8Very high42 Ų4246 Ų4621%0.20723%0.233CC..  trans-110.7-18-168.1-63.2-56.7-78.800113.6N21 V25 K28 E29 D71 K74N21-M23 WeakPolarHBondContact OD1-CG 3.07Å; N21-M23 PolarHBondContact OD1-SD 3.21Å; M23-V25 HydrophobicContact CB-CG2 3.96Å; M23-V25 PolarHBondContact O-N 3.26Å; M23-K28 HydrophobicContact CB-CB 4.15Å; M23-K28 HydrophobicContact CB-CD 4.13Å; M23-K28 HydrophobicContact CE-CD 3.65Å; M23-K28 HydrophobicContact CG-CB 4.29Å; M23-K28 HydrophobicContact CG-CD 4.04Å; M23-E29 HydrophobicContact CB-CG 4.43Å; M23-E29 PolarHBondContact N-OE1 3.17Å; M23-D71 HydrophobicContact CE-CB 3.81Å; M23-D71 VanDerWaalsContact CE-CG 3.42Å; M23-D71 WeakPolarHBondContact CE-OD2 3.34Å; M23-D71 HydrophobicContact SD-CB 4.09Å; M23-K74 HydrophobicContact CE-CD 4.18Å; M23-K74 HydrophobicContact SD-CD 3.57Å; M23-K74 VanDerWaalsContact SD-CD 3.57Å
24G87.1Confident92.3Very high61 Ų6145.3 Ų45.363%0.62923%0.225SC*.SBendtrans68.410.3179.900000113.9E29G24-E29 WeakPolarHBondContact CA-OE1 3.39Å; G24-E29 PolarHBondContact N-OE1 3.46Å
25V92.4Very high92.7Very high54 Ų5443 Ų4333%0.32721%0.214SC..  trans-130.7123.1-178.1-66.90000110.8M23 F27 K28 E29M23-V25 HydrophobicContact CB-CG2 3.96Å; M23-V25 PolarHBondContact O-N 3.26Å; V25-F27 VanDerWaalsContact C-N 3.28Å; V25-F27 HydrophobicContact CB-CD1 3.76Å; V25-F27 HydrophobicContact CB-CE1 3.57Å; V25-F27 HydrophobicContact CG1-CE1 4.15Å; V25-F27 HydrophobicContact CG2-CD1 3.91Å; V25-F27 HydrophobicContact CG2-CE1 3.46Å; V25-F27 VanDerWaalsContact CG2-CE1 3.46Å; V25-F27 HydrophobicContact CG2-CZ 4Å; V25-F27 PolarHBondContact O-N 2.98Å; V25-K28 HydrophobicContact CG2-CB 3.91Å; V25-K28 HydrophobicContact CG2-CD 3.83Å; V25-K28 HydrophobicContact CG2-CG 3.71Å; V25-K28 PolarHBondContact O-N 3.2Å; V25-K28 VanDerWaalsContact O-N 3.07Å; V25-E29 WeakPolarHBondContact O-CG 3.2Å; V25-E29 PolarHBondContact O-N 3.22Å; V25-E29 VanDerWaalsContact O-N 3.08Å
26Y92.2Very high92.7Very high151 Ų15143.4 Ų43.459%0.59222%0.215SC*.Hα-helixtrans-59.1-37.2-172.1-170.3-97000113.2K28 E29 E30 R33Y26-K28 PolarHBondContact O-N 3.09Å; Y26-E29 PolarHBondContact O-N 2.89Å; Y26-E30 HydrophobicContact CD1-CB 4.15Å; Y26-E30 HydrophobicContact CE1-CB 3.72Å; Y26-E30 HydrophobicContact CE1-CG 3.97Å; Y26-E30 HydrophobicContact CE2-CB 4.13Å; Y26-E30 HydrophobicContact CE2-CG 4.42Å; Y26-E30 WeakPolarHBondContact CE2-OE2 3.43Å; Y26-E30 WeakPolarHBondContact O-CB 3.37Å; Y26-E30 PolarHBondContact O-N 2.84Å; Y26-E30 VanDerWaalsContact OH-CD 3.31Å; Y26-E30 WeakPolarHBondContact OH-CG 3.39Å; Y26-E30 PolarHBondContact OH-OE2 3.45Å; Y26-E30 VanDerWaalsContact OH-OE2 3.05Å; Y26-R33 VanDerWaalsContact CE2-NH2 3.28Å
27F92.4Very high92.7Very high126 Ų12647.9 Ų47.955%0.55323%0.23SC*.Hα-helixtrans-64.8-21.6-179.479.9-88.9000113.6V25 P31V25-F27 VanDerWaalsContact C-N 3.28Å; V25-F27 HydrophobicContact CB-CD1 3.76Å; V25-F27 HydrophobicContact CB-CE1 3.57Å; V25-F27 HydrophobicContact CG1-CE1 4.15Å; V25-F27 HydrophobicContact CG2-CD1 3.91Å; V25-F27 HydrophobicContact CG2-CE1 3.46Å; V25-F27 VanDerWaalsContact CG2-CE1 3.46Å; V25-F27 HydrophobicContact CG2-CZ 4Å; V25-F27 PolarHBondContact O-N 2.98Å; F27-P31 VanDerWaalsContact O-CD 3.26Å; F27-P31 WeakPolarHBondContact O-CD 3.48Å; F27-P31 VanDerWaalsContact O-CG 3.26Å; F27-P31 WeakPolarHBondContact O-CG 3.48Å
28K94.3Very high92.7Very high17 Ų1747.9 Ų47.97%0.07423%0.23CC..Hα-helixtrans-93.1-40.1171.4-63.8-169.4171.9-166.40111.9M23 V25 Y26 I32 D71 N97 Y118M23-K28 HydrophobicContact CB-CB 4.15Å; M23-K28 HydrophobicContact CB-CD 4.13Å; M23-K28 HydrophobicContact CE-CD 3.65Å; M23-K28 HydrophobicContact CG-CB 4.29Å; M23-K28 HydrophobicContact CG-CD 4.04Å; V25-K28 HydrophobicContact CG2-CB 3.91Å; V25-K28 HydrophobicContact CG2-CD 3.83Å; V25-K28 HydrophobicContact CG2-CG 3.71Å; V25-K28 PolarHBondContact O-N 3.2Å; V25-K28 VanDerWaalsContact O-N 3.07Å; Y26-K28 PolarHBondContact O-N 3.09Å; K28-I32 VanDerWaalsContact O-CG1 3.26Å; K28-I32 WeakPolarHBondContact O-CG1 3.42Å; K28-D71 IonicContact NZ-OD1 3.42Å; K28-D71 IonicContact NZ-OD2 2.82Å; K28-D71 PolarHBondContact NZ-OD2 3.26Å; K28-N97 WeakPolarHBondContact CE-OD1 3.34Å; K28-N97 PolarHBondContact NZ-ND2 2.86Å; K28-N97 PolarHBondContact NZ-OD1 2.8Å; K28-Y118 HydrophobicContact CB-CD1 3.84Å; K28-Y118 HydrophobicContact CB-CD2 4.48Å; K28-Y118 HydrophobicContact CB-CE1 3.69Å; K28-Y118 HydrophobicContact CB-CE2 4.33Å; K28-Y118 HydrophobicContact CB-CG 4.22Å; K28-Y118 HydrophobicContact CD-CD2 4.18Å; K28-Y118 HydrophobicContact CD-CE1 4.42Å; K28-Y118 HydrophobicContact CD-CE2 3.66Å; K28-Y118 HydrophobicContact CG-CD1 4.07Å; K28-Y118 HydrophobicContact CG-CD2 3.81Å; K28-Y118 HydrophobicContact CG-CE1 4.03Å; K28-Y118 HydrophobicContact CG-CE2 3.75Å; K28-Y118 HydrophobicContact CG-CG 3.95Å; K28-Y118 WeakPolarHBondContact O-CD1 3.38Å
29E94.1Very high92.7Very high48 Ų4847.9 Ų47.922%0.22423%0.23CC..Hα-helixtrans-76.5-35.4-172.8-65.2-179.3174.900113.9M23 G24 V25 Y26 I32 R33M23-E29 HydrophobicContact CB-CG 4.43Å; M23-E29 PolarHBondContact N-OE1 3.17Å; G24-E29 WeakPolarHBondContact CA-OE1 3.39Å; G24-E29 PolarHBondContact N-OE1 3.46Å; V25-E29 WeakPolarHBondContact O-CG 3.2Å; V25-E29 PolarHBondContact O-N 3.22Å; V25-E29 VanDerWaalsContact O-N 3.08Å; Y26-E29 PolarHBondContact O-N 2.89Å; E29-I32 PolarHBondContact O-N 3.08Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.42Å; E29-R33 IonicContact OE2-NH1 2.69Å; E29-R33 PolarHBondContact OE2-NH1 3.18Å
30E95.1Very high92.6Very high28 Ų2852.7 Ų52.713%0.13125%0.253CS..Hα-helixtrans-67.3-45179.8-168.562.1-141.600112.5Y26 I32 R33 E34 R37 L120Y26-E30 HydrophobicContact CD1-CB 4.15Å; Y26-E30 HydrophobicContact CE1-CB 3.72Å; Y26-E30 HydrophobicContact CE1-CG 3.97Å; Y26-E30 HydrophobicContact CE2-CB 4.13Å; Y26-E30 HydrophobicContact CE2-CG 4.42Å; Y26-E30 WeakPolarHBondContact CE2-OE2 3.43Å; Y26-E30 WeakPolarHBondContact O-CB 3.37Å; Y26-E30 PolarHBondContact O-N 2.84Å; Y26-E30 VanDerWaalsContact OH-CD 3.31Å; Y26-E30 WeakPolarHBondContact OH-CG 3.39Å; Y26-E30 PolarHBondContact OH-OE2 3.45Å; Y26-E30 VanDerWaalsContact OH-OE2 3.05Å; E30-I32 PolarHBondContact O-N 2.67Å; E30-R33 WeakPolarHBondContact O-CB 3.24Å; E30-R33 PolarHBondContact O-N 2.91Å; E30-R33 VanDerWaalsContact O-N 3.09Å; E30-R33 IonicContact OE2-CZ 2.75Å; E30-R33 IonicContact OE2-NE 3.19Å; E30-R33 PolarHBondContact OE2-NE 2.84Å; E30-R33 IonicContact OE2-NH2 3.9Å; E30-R33 PolarHBondContact OE2-NH2 3.4Å; E30-E34 PolarHBondContact O-N 2.82Å; E30-R37 IonicContact OE1-NH2 2.86Å; E30-R37 PolarHBondContact OE1-NH2 2.96Å; E30-L120 HydrophobicContact CB-CD2 4Å; E30-L120 HydrophobicContact CG-CD2 3.68Å
31P96.2Very high92.7Very high8 Ų859.3 Ų59.35%0.05228%0.278CS..Hα-helixtrans-56.9-37.1171.6-27.536.5000113.4F27 E34 L35 Y118 L120F27-P31 VanDerWaalsContact O-CD 3.26Å; F27-P31 WeakPolarHBondContact O-CD 3.48Å; F27-P31 VanDerWaalsContact O-CG 3.26Å; F27-P31 WeakPolarHBondContact O-CG 3.48Å; P31-E34 PolarHBondContact O-N 2.92Å; P31-L35 WeakPolarHBondContact O-CB 3.41Å; P31-L35 PolarHBondContact O-N 3.21Å; P31-Y118 HydrophobicContact CB-CD1 4.49Å; P31-L120 HydrophobicContact CG-CD2 4.16Å
32I96.7Very high93.8Very high11 Ų1160.3 Ų60.36%0.05628%0.283CS..Hα-helixtrans-69.1-36.4176.6-64.3-66.3000111.6I19 K28 E29 E30 L35 H36 I69 F95 Y118I19-I32 HydrophobicContact CD1-CG2 4.35Å; I19-I32 HydrophobicContact CG2-CG2 3.76Å; K28-I32 VanDerWaalsContact O-CG1 3.26Å; K28-I32 WeakPolarHBondContact O-CG1 3.42Å; E29-I32 PolarHBondContact O-N 3.08Å; E30-I32 PolarHBondContact O-N 2.67Å; I32-L35 PolarHBondContact O-N 3.08Å; I32-H36 PolarHBondContact O-N 3.15Å; I32-I69 HydrophobicContact CD1-CG2 3.94Å; I32-F95 HydrophobicContact CD1-CD1 4.39Å; I32-F95 HydrophobicContact CD1-CD2 4.12Å; I32-F95 HydrophobicContact CD1-CE1 4.07Å; I32-F95 HydrophobicContact CD1-CE2 3.79Å; I32-F95 HydrophobicContact CD1-CG 4.41Å; I32-F95 HydrophobicContact CD1-CZ 3.76Å; I32-Y118 HydrophobicContact CD1-CE1 4.13Å; I32-Y118 HydrophobicContact CG1-CD1 4.48Å; I32-Y118 HydrophobicContact CG1-CE1 3.96Å
33R95.9Very high94.8Very high84 Ų8458.7 Ų58.732%0.31728%0.279SS..Hα-helixtrans-66.2-39.4172.4-75.6-173.9-72.5-91.4-1.4112.2Y26 E29 E30 R37Y26-R33 VanDerWaalsContact CE2-NH2 3.28Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.42Å; E29-R33 IonicContact OE2-NH1 2.69Å; E29-R33 PolarHBondContact OE2-NH1 3.18Å; E30-R33 WeakPolarHBondContact O-CB 3.24Å; E30-R33 PolarHBondContact O-N 2.91Å; E30-R33 VanDerWaalsContact O-N 3.09Å; E30-R33 IonicContact OE2-CZ 2.75Å; E30-R33 IonicContact OE2-NE 3.19Å; E30-R33 PolarHBondContact OE2-NE 2.84Å; E30-R33 IonicContact OE2-NH2 3.9Å; E30-R33 PolarHBondContact OE2-NH2 3.4Å; R33-R37 PolarHBondContact O-N 3.03Å; R33-R37 PolarHBondContact O-NH1 3.47Å
34E97.5Very high95.5Very high46 Ų4657.2 Ų57.222%0.21527%0.272CS..Hα-helixtrans-62.8-44.4172.2-70.4-176.6170.800111.3E30 P31 R37 A38 G121 A123E30-E34 PolarHBondContact O-N 2.82Å; P31-E34 PolarHBondContact O-N 2.92Å; E34-R37 PolarHBondContact O-N 2.99Å; E34-A38 PolarHBondContact O-N 2.84Å; E34-G121 PolarHBondContact OE2-N 3.1Å; E34-A123 HydrophobicContact CB-CB 3.65Å
35L97.7Very high96Very high1 Ų159.8 Ų59.81%0.00527%0.267CS..Hα-helixtrans-63.6-42.3178.4-178.958.8000112.5P31 I32 R37 A38 L39 I69 F95 A123 I126 A127 I130P31-L35 WeakPolarHBondContact O-CB 3.41Å; P31-L35 PolarHBondContact O-N 3.21Å; I32-L35 PolarHBondContact O-N 3.08Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 3.23Å; L35-A38 PolarHBondContact O-N 3.24Å; L35-A38 VanDerWaalsContact O-N 3.16Å; L35-L39 HydrophobicContact CD1-CD1 4.17Å; L35-L39 HydrophobicContact CD1-CG 4.04Å; L35-L39 HydrophobicContact CG-CD1 3.96Å; L35-L39 HydrophobicContact CG-CG 4.31Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 2.59Å; L35-I69 HydrophobicContact CD2-CD1 3.82Å; L35-I69 HydrophobicContact CG-CD1 4.47Å; L35-F95 HydrophobicContact CD2-CE2 4.07Å; L35-F95 HydrophobicContact CD2-CZ 3.75Å; L35-A123 HydrophobicContact CB-CB 4.47Å; L35-I126 HydrophobicContact CD1-CB 4.02Å; L35-I126 HydrophobicContact CD1-CG2 3.69Å; L35-I126 HydrophobicContact CD2-CG2 3.89Å; L35-I126 HydrophobicContact CG-CG2 4.47Å; L35-A127 HydrophobicContact CD1-CB 4.13Å; L35-I130 HydrophobicContact CD1-CD1 4.22Å; L35-I130 HydrophobicContact CD2-CD1 4.3Å
36H97.7Very high96.2Very high39 Ų3958.3 Ų58.318%0.18126%0.257CS..Hα-helixtrans-50.7-53.4172.7174120.1000110.7I32 A38 L39 E40 Y48I32-H36 PolarHBondContact O-N 3.15Å; H36-A38 VanDerWaalsContact C-N 3.29Å; H36-A38 PolarHBondContact O-N 2.86Å; H36-L39 PolarHBondContact O-N 2.86Å; H36-E40 IonicContact CD2-OE2 3.2Å; H36-E40 PolarHBondContact CD2-OE2 3.4Å; H36-E40 IonicContact NE2-OE1 2.98Å; H36-E40 PolarHBondContact NE2-OE1 3.12Å; H36-E40 IonicContact NE2-OE2 3.61Å; H36-E40 PolarHBondContact NE2-OE2 3.39Å; H36-E40 PolarHBondContact O-N 3.04Å; H36-Y48 AromaticContact CE1-CE2 3.86Å; H36-Y48 AromaticContact ND1-CE2 3.67Å; H36-Y48 AromaticContact ND1-CZ 3.59Å; H36-Y48 PolarHBondContact ND1-OH 2.86Å
37R97.5Very high96.5Very high107 Ų10752.6 Ų52.640%0.40424%0.238SC..Hα-helixtrans-63.5-36.4-178.2-66.8-176.4-70.6-96.45.7111.8E30 R33 E34 L35 R41E30-R37 IonicContact OE1-NH2 2.86Å; E30-R37 PolarHBondContact OE1-NH2 2.96Å; R33-R37 PolarHBondContact O-N 3.03Å; R33-R37 PolarHBondContact O-NH1 3.47Å; E34-R37 PolarHBondContact O-N 2.99Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 3.23Å; R37-R41 VanDerWaalsContact C-NH1 3.34Å; R37-R41 WeakPolarHBondContact O-CG 3.41Å; R37-R41 PolarHBondContact O-N 2.84Å; R37-R41 PolarHBondContact O-NH1 2.65Å
38A97.9Very high96.7Very high0 Ų052 Ų520%023%0.233CC..Hα-helixtrans-67.4-4017700000112E34 L35 H36 R41 L42 A123 A127E34-A38 PolarHBondContact O-N 2.84Å; L35-A38 PolarHBondContact O-N 3.24Å; L35-A38 VanDerWaalsContact O-N 3.16Å; H36-A38 VanDerWaalsContact C-N 3.29Å; H36-A38 PolarHBondContact O-N 2.86Å; A38-R41 WeakPolarHBondContact O-CB 3.44Å; A38-R41 PolarHBondContact O-N 3.2Å; A38-L42 PolarHBondContact O-N 2.99Å; A38-A123 HydrophobicContact CB-CB 4.11Å; A38-A127 HydrophobicContact CB-CB 3.68Å
39L97.7Very high96.8Very high0 Ų051.7 Ų51.70%023%0.232CC..Hα-helixtrans-68.7-39.8176.4-70.5171.4000112.6I17 L35 H36 R41 L42 N43 F44 I46 I69 A127 I130I17-L39 HydrophobicContact CG2-CD1 4.3Å; L35-L39 HydrophobicContact CD1-CD1 4.17Å; L35-L39 HydrophobicContact CD1-CG 4.04Å; L35-L39 HydrophobicContact CG-CD1 3.96Å; L35-L39 HydrophobicContact CG-CG 4.31Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 2.59Å; H36-L39 PolarHBondContact O-N 2.86Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 2.88Å; L39-L42 CarbonylContact O-C 3.54Å; L39-L42 WeakPolarHBondContact O-CA 3.04Å; L39-L42 PolarHBondContact O-N 3.06Å; L39-N43 PolarHBondContact O-N 2.91Å; L39-F44 HydrophobicContact CB-CB 4.14Å; L39-F44 HydrophobicContact CB-CD2 4.39Å; L39-F44 HydrophobicContact CD2-CD2 3.82Å; L39-F44 HydrophobicContact CD2-CE2 4.22Å; L39-F44 HydrophobicContact CD2-CG 4.45Å; L39-F44 WeakPolarHBondContact O-CB 3.32Å; L39-F44 PolarHBondContact O-N 2.97Å; L39-F44 VanDerWaalsContact O-N 3.09Å; L39-I46 HydrophobicContact CB-CD1 3.74Å; L39-I46 HydrophobicContact CD1-CD1 3.93Å; L39-I46 HydrophobicContact CG-CD1 4.5Å; L39-I69 HydrophobicContact CD1-CD1 3.75Å; L39-A127 HydrophobicContact CD2-CB 4.04Å; L39-A127 HydrophobicContact CG-CB 4.38Å; L39-I130 HydrophobicContact CD1-CD1 4.18Å; L39-I130 HydrophobicContact CD2-CB 4.05Å; L39-I130 HydrophobicContact CD2-CD1 3.95Å; L39-I130 HydrophobicContact CD2-CG2 3.69Å
40E96.9Very high96.8Very high102 Ų10256 Ų5648%0.47726%0.257SS..Hα-helixtrans-60.5-38173.5-73.8-171.7134.300112H36 L42 N43 I46H36-E40 IonicContact CD2-OE2 3.2Å; H36-E40 PolarHBondContact CD2-OE2 3.4Å; H36-E40 IonicContact NE2-OE1 2.98Å; H36-E40 PolarHBondContact NE2-OE1 3.12Å; H36-E40 IonicContact NE2-OE2 3.61Å; H36-E40 PolarHBondContact NE2-OE2 3.39Å; H36-E40 PolarHBondContact O-N 3.04Å; E40-L42 PolarHBondContact O-N 3.4Å; E40-N43 PolarHBondContact O-N 2.94Å; E40-I46 HydrophobicContact CG-CG1 4.22Å
41R97.1Very high96.8Very high141 Ų14158.5 Ų58.553%0.53227%0.271SS..Hα-helixtrans-61.9-24.7173.3-76.1-171.2-68.2-78.37.6113.2R37 A38 L39 N43 E124R37-R41 VanDerWaalsContact C-NH1 3.34Å; R37-R41 WeakPolarHBondContact O-CG 3.41Å; R37-R41 PolarHBondContact O-N 2.84Å; R37-R41 PolarHBondContact O-NH1 2.65Å; A38-R41 WeakPolarHBondContact O-CB 3.44Å; A38-R41 PolarHBondContact O-N 3.2Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 2.88Å; R41-N43 VanDerWaalsContact C-N 3.32Å; R41-E124 IonicContact CZ-OE1 3.25Å; R41-E124 IonicContact NE-OE1 3.49Å; R41-E124 PolarHBondContact NE-OE1 3.12Å; R41-E124 IonicContact NH2-OE1 2.68Å; R41-E124 PolarHBondContact NH2-OE1 3.36Å
42L96.2Very high96.7Very high55 Ų5561.9 Ų61.929%0.28828%0.283SS..THydrogen-bonded Turntrans-93.215.1174.4-60.9-178.4000112.8A38 L39 E40 F44 A127 K131A38-L42 PolarHBondContact O-N 2.99Å; L39-L42 CarbonylContact O-C 3.54Å; L39-L42 WeakPolarHBondContact O-CA 3.04Å; L39-L42 PolarHBondContact O-N 3.06Å; E40-L42 PolarHBondContact O-N 3.4Å; L42-F44 VanDerWaalsContact C-N 3.3Å; L42-F44 HydrophobicContact CB-CD2 3.93Å; L42-F44 HydrophobicContact CB-CE2 4.14Å; L42-F44 PolarHBondContact O-N 3.2Å; L42-A127 HydrophobicContact CD1-CB 3.81Å; L42-A127 WeakPolarHBondContact CD1-O 3.44Å; L42-K131 HydrophobicContact CD1-CB 4.14Å
43N96.3Very high96.7Very high111 Ų11165.6 Ų65.659%0.59430%0.303SS*.THydrogen-bonded Turntrans6228.7-180-56.5-45.2000114.8N15 L39 E40 R41N15-N43 PolarHBondContact ND2-O 3.04Å; L39-N43 PolarHBondContact O-N 2.91Å; E40-N43 PolarHBondContact O-N 2.94Å; R41-N43 VanDerWaalsContact C-N 3.32Å
44F97.2Very high96.6Very high12 Ų1264.3 Ų64.35%0.05330%0.302CS..PPolyproline II helixtrans-82.3138.4166.6-72.8-77.9000110.9N15 I17 L39 L42 I46 I130 K131 T134N15-F44 HydrophobicContact CB-CD1 4.16Å; N15-F44 CarbonylContact O-C 3.28Å; N15-F44 WeakPolarHBondContact O-CA 3.34Å; N15-F44 WeakPolarHBondContact O-CD1 3.03Å; I17-F44 HydrophobicContact CD1-CD1 4.03Å; I17-F44 HydrophobicContact CD1-CE1 4.1Å; I17-F44 HydrophobicContact CG1-CB 4.15Å; I17-F44 HydrophobicContact CG1-CD1 3.56Å; I17-F44 HydrophobicContact CG1-CE1 4.13Å; I17-F44 HydrophobicContact CG1-CG 3.96Å; L39-F44 HydrophobicContact CB-CB 4.14Å; L39-F44 HydrophobicContact CB-CD2 4.39Å; L39-F44 HydrophobicContact CD2-CD2 3.82Å; L39-F44 HydrophobicContact CD2-CE2 4.22Å; L39-F44 HydrophobicContact CD2-CG 4.45Å; L39-F44 WeakPolarHBondContact O-CB 3.32Å; L39-F44 PolarHBondContact O-N 2.97Å; L39-F44 VanDerWaalsContact O-N 3.09Å; L42-F44 VanDerWaalsContact C-N 3.3Å; L42-F44 HydrophobicContact CB-CD2 3.93Å; L42-F44 HydrophobicContact CB-CE2 4.14Å; L42-F44 PolarHBondContact O-N 3.2Å; F44-I46 HydrophobicContact CB-CD1 4.15Å; F44-I130 HydrophobicContact CE2-CG2 4.39Å; F44-I130 HydrophobicContact CZ-CG2 4.34Å; F44-K131 HydrophobicContact CE2-CB 4.26Å; F44-K131 HydrophobicContact CE2-CD 4.2Å; F44-K131 HydrophobicContact CZ-CD 4.09Å; F44-T134 HydrophobicContact CE1-CG2 4.17Å; F44-T134 HydrophobicContact CZ-CG2 4.31Å
45Q96.9Very high96.6Very high115 Ų11562.1 Ų62.154%0.53729%0.292SS..EExtended strand (participates in β ladder)trans-88123.4168.1-178.8-177.7-3.300109.2N15 V16 I17N15-Q45 PolarHBondContact O-N 2.86Å; V16-Q45 WeakPolarHBondContact CA-O 3.17Å; V16-Q45 HydrophobicContact CG2-CB 4.36Å; I17-Q45 PolarHBondContact N-O 2.81Å
46I97.3Very high96.5Very high23 Ų2363.2 Ų63.212%0.11830%0.298CS..EExtended strand (participates in β ladder)trans-96.9132.6-179.2-48.1-54.3000110.4I17 I19 L39 E40 F44 Y48I17-I46 HydrophobicContact CB-CD1 3.98Å; I17-I46 WeakPolarHBondContact O-CA 3.35Å; I19-I46 HydrophobicContact CD1-CG2 3.54Å; I19-I46 HydrophobicContact CG1-CG2 3.8Å; L39-I46 HydrophobicContact CB-CD1 3.74Å; L39-I46 HydrophobicContact CD1-CD1 3.93Å; L39-I46 HydrophobicContact CG-CD1 4.5Å; E40-I46 HydrophobicContact CG-CG1 4.22Å; F44-I46 HydrophobicContact CB-CD1 4.15Å; I46-Y48 HydrophobicContact CG2-CD2 4.33Å; I46-Y48 HydrophobicContact CG2-CE2 3.68Å
47V97.4Very high96.2Very high30 Ų3066.9 Ų66.918%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-124.4147.7174.6-620000110.7V16 I17 A18 I19 P49 L58V16-V47 HydrophobicContact CG1-CG1 4.02Å; V16-V47 HydrophobicContact CG1-CG2 3.85Å; I17-V47 PolarHBondContact O-N 3.02Å; A18-V47 CarbonylContact C-O 3.6Å; A18-V47 WeakPolarHBondContact CA-O 3.49Å; A18-V47 HydrophobicContact CB-CG2 3.84Å; I19-V47 PolarHBondContact N-O 3.31Å; V47-P49 WeakPolarHBondContact O-CD 3.23Å; V47-L58 HydrophobicContact CB-CD1 4.09Å; V47-L58 HydrophobicContact CG2-CD1 3.68Å; V47-L58 HydrophobicContact CG2-CD2 4.1Å
48Y97.3Very high96.1Very high115 Ų11563.2 Ų63.245%0.45130%0.301SS..  trans-121.587.2-174.8-72.9-85.7000110I19 H36 I46I19-Y48 HydrophobicContact CB-CD1 3.96Å; I19-Y48 HydrophobicContact CB-CE1 3.67Å; I19-Y48 HydrophobicContact CD1-CE1 4.28Å; I19-Y48 HydrophobicContact CG1-CE1 4.47Å; I19-Y48 HydrophobicContact CG2-CD1 4.26Å; I19-Y48 HydrophobicContact CG2-CE1 3.77Å; I19-Y48 WeakPolarHBondContact O-CD1 3.37Å; H36-Y48 AromaticContact CE1-CE2 3.86Å; H36-Y48 AromaticContact ND1-CE2 3.67Å; H36-Y48 AromaticContact ND1-CZ 3.59Å; H36-Y48 PolarHBondContact ND1-OH 2.86Å; I46-Y48 HydrophobicContact CG2-CD2 4.33Å; I46-Y48 HydrophobicContact CG2-CE2 3.68Å
49P96.9Very high95.9Very high9 Ų964 Ų646%0.05831%0.306CS..  trans-61.8141.4170.327.3-34.7000110.3A18 L20 V47 D54 L55A18-P49 HydrophobicContact CB-CG 4.35Å; L20-P49 HydrophobicContact CB-CG 4.21Å; L20-P49 HydrophobicContact CD1-CB 4.41Å; L20-P49 HydrophobicContact CD1-CG 4.03Å; L20-P49 WeakPolarHBondContact CD1-O 3.49Å; V47-P49 WeakPolarHBondContact O-CD 3.23Å; P49-D54 HydrophobicContact CB-CB 4.17Å; P49-L55 HydrophobicContact CB-CB 3.78Å; P49-L55 HydrophobicContact CG-CB 3.85Å; P49-L55 HydrophobicContact CG-CD1 4.07Å; P49-L55 HydrophobicContact CG-CG 4.45Å
50N94.6Very high95.5Very high140 Ų14068.7 Ų68.775%0.74933%0.327SS*.SBendtrans-71.6-37.4-177.2-64.8-71.5000112.3D54N50-D54 PolarHBondContact N-OD2 2.76Å; N50-D54 PolarHBondContact ND2-OD2 2.77Å
51D94.4Very high95.1Very high79 Ų7968.2 Ų68.242%0.42233%0.328SS..SBendtrans-150.8-171.7-17762.933.8000111.4D53 D54 L55D51-D53 PolarHBondContact OD1-N 2.91Å; D51-D54 WeakPolarHBondContact OD1-CB 3.35Å; D51-D54 PolarHBondContact OD1-N 2.86Å; D51-L55 PolarHBondContact O-N 3.39Å; D51-L55 VanDerWaalsContact O-N 3.13Å
52R94.9Very high94.9Very high80 Ų8065 Ų6530%0.30232%0.322SS..Hα-helixtrans-57.1-51.5177.6-166.9-72.7-62.3-109.60.3111.2D54 L55 L56 E78 L79R52-D54 PolarHBondContact O-N 3.16Å; R52-L55 WeakPolarHBondContact O-CB 3.31Å; R52-L55 PolarHBondContact O-N 2.99Å; R52-L56 VanDerWaalsContact CD-CD1 3.45Å; R52-L56 WeakPolarHBondContact O-CG 3.17Å; R52-L56 PolarHBondContact O-N 3.49Å; R52-E78 HydrophobicContact CG-CB 4.16Å; R52-L79 HydrophobicContact CG-CD2 3.82Å
53D94.8Very high94.7Very high89 Ų8966.6 Ų66.648%0.47634%0.342SS..Hα-helixtrans-68.1-38.1-173.7-71.4-13.6000111.6D51 L56 K57D51-D53 PolarHBondContact OD1-N 2.91Å; D53-L56 PolarHBondContact O-N 2.95Å; D53-K57 WeakPolarHBondContact O-CG 3.38Å; D53-K57 PolarHBondContact O-N 3.49Å
54D95.6Very high94.7Very high57 Ų5768.6 Ų68.631%0.30534%0.341SS..Hα-helixtrans-61.8-43.5174.3-165.115.3000111.2P49 N50 D51 R52 K57 L58P49-D54 HydrophobicContact CB-CB 4.17Å; N50-D54 PolarHBondContact N-OD2 2.76Å; N50-D54 PolarHBondContact ND2-OD2 2.77Å; D51-D54 WeakPolarHBondContact OD1-CB 3.35Å; D51-D54 PolarHBondContact OD1-N 2.86Å; R52-D54 PolarHBondContact O-N 3.16Å; D54-K57 PolarHBondContact O-N 2.8Å; D54-L58 WeakPolarHBondContact O-CB 3.24Å; D54-L58 PolarHBondContact O-N 2.77Å
55L97Very high94.7Very high0 Ų068.2 Ų68.20%034%0.34CS..Hα-helixtrans-61-46.7173.8172.861.9000112A18 L20 P49 D51 R52 K57 L58 I59 L65 V68 L79A18-L55 HydrophobicContact CB-CD1 3.69Å; L20-L55 HydrophobicContact CD2-CD2 4.1Å; P49-L55 HydrophobicContact CB-CB 3.78Å; P49-L55 HydrophobicContact CG-CB 3.85Å; P49-L55 HydrophobicContact CG-CD1 4.07Å; P49-L55 HydrophobicContact CG-CG 4.45Å; D51-L55 PolarHBondContact O-N 3.39Å; D51-L55 VanDerWaalsContact O-N 3.13Å; R52-L55 WeakPolarHBondContact O-CB 3.31Å; R52-L55 PolarHBondContact O-N 2.99Å; L55-K57 VanDerWaalsContact C-N 3.29Å; L55-K57 PolarHBondContact O-N 3.23Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 2.65Å; L55-L58 VanDerWaalsContact O-N 3.08Å; L55-I59 HydrophobicContact CD1-CD1 3.89Å; L55-I59 HydrophobicContact CD1-CG1 4.05Å; L55-I59 HydrophobicContact CG-CD1 3.93Å; L55-I59 HydrophobicContact CG-CG1 4.49Å; L55-I59 WeakPolarHBondContact O-CG1 3.41Å; L55-I59 PolarHBondContact O-N 3.05Å; L55-L65 HydrophobicContact CD1-CD1 4.37Å; L55-V68 HydrophobicContact CD1-CG1 4.19Å; L55-V68 HydrophobicContact CD1-CG2 4.09Å; L55-V68 HydrophobicContact CD2-CG1 3.61Å; L55-L79 HydrophobicContact CD2-CD1 3.93Å; L55-L79 HydrophobicContact CD2-CD2 3.73Å
56L94.8Very high94.8Very high24 Ų2462.7 Ų62.713%0.12631%0.314CS..Hα-helixtrans-61.3-40.9179.1-60.8-177.9000111R52 D53 L58 I59 E60 L79 E82 I83 M86R52-L56 VanDerWaalsContact CD-CD1 3.45Å; R52-L56 WeakPolarHBondContact O-CG 3.17Å; R52-L56 PolarHBondContact O-N 3.49Å; D53-L56 PolarHBondContact O-N 2.95Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 PolarHBondContact O-N 3.4Å; L56-I59 PolarHBondContact O-N 3.1Å; L56-E60 WeakPolarHBondContact O-CB 3.4Å; L56-E60 PolarHBondContact O-N 3.43Å; L56-L79 HydrophobicContact CD2-CD2 4.48Å; L56-E82 HydrophobicContact CD1-CB 4.09Å; L56-E82 HydrophobicContact CD1-CG 4.28Å; L56-E82 HydrophobicContact CD2-CB 3.86Å; L56-I83 HydrophobicContact CD2-CG1 4.45Å; L56-M86 HydrophobicContact CB-CE 4.29Å; L56-M86 HydrophobicContact CD2-CE 3.36Å; L56-M86 HydrophobicContact CG-CE 4.36Å
57K91.5Very high94.8Very high116 Ų11661.6 Ų61.650%0.50431%0.309SS..Hα-helixtrans-63.5-37.4172.9-77-50.6-160.2-168.80112.7D53 D54 L55 E60 N61D53-K57 WeakPolarHBondContact O-CG 3.38Å; D53-K57 PolarHBondContact O-N 3.49Å; D54-K57 PolarHBondContact O-N 2.8Å; L55-K57 VanDerWaalsContact C-N 3.29Å; L55-K57 PolarHBondContact O-N 3.23Å; K57-E60 WeakPolarHBondContact CD-OE2 3.31Å; K57-E60 IonicContact NZ-OE2 2.73Å; K57-E60 PolarHBondContact NZ-OE2 3.2Å; K57-E60 PolarHBondContact O-N 2.87Å; K57-N61 WeakPolarHBondContact O-CB 3.19Å; K57-N61 PolarHBondContact O-N 3.04Å; K57-N61 PolarHBondContact O-ND2 2.97Å
58L94.9Very high94.8Very high29 Ų2960.2 Ų60.215%0.15230%0.3CS..Hα-helixtrans-64.6-47176.9-147.5159.3000110.5V47 D54 L55 L56 E60 N61 N62 L65V47-L58 HydrophobicContact CB-CD1 4.09Å; V47-L58 HydrophobicContact CG2-CD1 3.68Å; V47-L58 HydrophobicContact CG2-CD2 4.1Å; D54-L58 WeakPolarHBondContact O-CB 3.24Å; D54-L58 PolarHBondContact O-N 2.77Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 2.65Å; L55-L58 VanDerWaalsContact O-N 3.08Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 PolarHBondContact O-N 3.4Å; L58-E60 PolarHBondContact O-N 2.92Å; L58-N61 PolarHBondContact O-N 3.42Å; L58-N62 HydrophobicContact CD2-CB 4.06Å; L58-N62 WeakPolarHBondContact CD2-ND2 3.31Å; L58-N62 VanDerWaalsContact O-CB 3.25Å; L58-N62 WeakPolarHBondContact O-CB 3.31Å; L58-N62 PolarHBondContact O-N 3.23Å; L58-N62 PolarHBondContact O-ND2 3.13Å; L58-L65 HydrophobicContact CD2-CD1 3.55Å
59I94Very high94.9Very high18 Ų1854.7 Ų54.79%0.09228%0.279CS..Hα-helixtrans-60.4-45.5176.5-65.3167000110.7L55 L56 N61 L65 V68 I83 M86 L90L55-I59 HydrophobicContact CD1-CD1 3.89Å; L55-I59 HydrophobicContact CD1-CG1 4.05Å; L55-I59 HydrophobicContact CG-CD1 3.93Å; L55-I59 HydrophobicContact CG-CG1 4.49Å; L55-I59 WeakPolarHBondContact O-CG1 3.41Å; L55-I59 PolarHBondContact O-N 3.05Å; L56-I59 PolarHBondContact O-N 3.1Å; I59-N61 PolarHBondContact O-N 3.22Å; I59-L65 HydrophobicContact CG1-CD1 3.87Å; I59-L65 HydrophobicContact CG1-CD2 4.12Å; I59-V68 HydrophobicContact CD1-CG2 4.31Å; I59-I83 HydrophobicContact CD1-CD1 4.18Å; I59-I83 HydrophobicContact CD1-CG1 4.02Å; I59-M86 HydrophobicContact CB-CE 4.07Å; I59-M86 HydrophobicContact CB-SD 4.43Å; I59-M86 HydrophobicContact CD1-CE 3.94Å; I59-M86 HydrophobicContact CG2-CB 4.45Å; I59-M86 HydrophobicContact CG2-CE 3.85Å; I59-M86 HydrophobicContact CG2-SD 4.08Å; I59-L90 HydrophobicContact CD1-CD2 4.02Å; I59-L90 HydrophobicContact CG1-CD2 4.33Å; I59-L90 HydrophobicContact CG2-CD2 4.48Å
60E89.2Confident94.9Very high98 Ų9854.3 Ų54.346%0.45828%0.276SS..Hα-helixtrans-61.4-40.9-179.5-177-177.3-159.800112.6L56 K57 L58L56-E60 WeakPolarHBondContact O-CB 3.4Å; L56-E60 PolarHBondContact O-N 3.43Å; K57-E60 WeakPolarHBondContact CD-OE2 3.31Å; K57-E60 IonicContact NZ-OE2 2.73Å; K57-E60 PolarHBondContact NZ-OE2 3.2Å; K57-E60 PolarHBondContact O-N 2.87Å; L58-E60 PolarHBondContact O-N 2.92Å
61N88.9Confident95Very high91 Ų9147.8 Ų47.849%0.48724%0.241SC..Hα-helixtrans-93.1-17.5-175-66.3-71.1000113.8K57 L58 I59K57-N61 WeakPolarHBondContact O-CB 3.19Å; K57-N61 PolarHBondContact O-N 3.04Å; K57-N61 PolarHBondContact O-ND2 2.97Å; L58-N61 PolarHBondContact O-N 3.42Å; I59-N61 PolarHBondContact O-N 3.22Å
62N91.9Very high95.1Very high75 Ų7544.1 Ų44.140%0.40122%0.221SC..  trans-12388.8-175.9-58.9-79.5000111.6L58 R64 L65L58-N62 HydrophobicContact CD2-CB 4.06Å; L58-N62 WeakPolarHBondContact CD2-ND2 3.31Å; L58-N62 VanDerWaalsContact O-CB 3.25Å; L58-N62 WeakPolarHBondContact O-CB 3.31Å; L58-N62 PolarHBondContact O-N 3.23Å; L58-N62 PolarHBondContact O-ND2 3.13Å; N62-R64 PolarHBondContact O-N 3.45Å; N62-L65 WeakPolarHBondContact O-CB 3.38Å; N62-L65 PolarHBondContact O-N 3.19Å
63A93.7Very high95Very high87 Ų8743.6 Ų43.672%0.71922%0.224SC*.THydrogen-bonded Turntrans-61.1-9.1174.800000114.4M14M14-A63 WeakPolarHBondContact CE-O 3.4Å
64R96.2Very high95Very high153 Ų15343 Ų4358%0.57722%0.218SC*.THydrogen-bonded Turntrans-87.2-6.5176.1-70.2-178.6178.979.30.5114.2M14 V16 N62 C66M14-R64 VanDerWaalsContact SD-C 3.5Å; M14-R64 WeakPolarHBondContact SD-CA 3.36Å; M14-R64 HydrophobicContact SD-CB 4.43Å; M14-R64 VanDerWaalsContact SD-O 3.34Å; V16-R64 HydrophobicContact CG2-CB 4.32Å; V16-R64 PolarHBondContact N-O 2.7Å; N62-R64 PolarHBondContact O-N 3.45Å; R64-C66 PolarHBondContact O-N 2.9Å
65L97.4Very high95Very high4 Ų441.4 Ų41.42%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-68.2118.7172.3-172.7159.3000108.8V16 A18 L55 L58 I59 N62 V68 L90V16-L65 WeakPolarHBondContact O-CA 3.44Å; A18-L65 HydrophobicContact CB-CD1 3.78Å; A18-L65 HydrophobicContact CB-CG 4.49Å; L55-L65 HydrophobicContact CD1-CD1 4.37Å; L58-L65 HydrophobicContact CD2-CD1 3.55Å; I59-L65 HydrophobicContact CG1-CD1 3.87Å; I59-L65 HydrophobicContact CG1-CD2 4.12Å; N62-L65 WeakPolarHBondContact O-CB 3.38Å; N62-L65 PolarHBondContact O-N 3.19Å; L65-V68 HydrophobicContact CD2-CG2 3.91Å; L65-L90 HydrophobicContact CD2-CD1 3.81Å; L65-L90 HydrophobicContact CD2-CD2 3.9Å; L65-L90 HydrophobicContact CD2-CG 4.4Å; L65-L90 WeakPolarHBondContact O-CD1 3.37Å
66C97.3Very high94.8Very high0 Ų042 Ų420%021%0.211CC..EExtended strand (participates in β ladder)trans-121.97.7-168.570.10000113.8M14 V16 I17 R64 P91 T134 Y137M14-C66 HydrophobicContact CG-CB 3.53Å; M14-C66 HydrophobicContact SD-CB 3.85Å; V16-C66 PolarHBondContact O-N 3.38Å; V16-C66 PolarHBondContact O-SG 2.82Å; I17-C66 VanDerWaalsContact CD1-SG 3.6Å; R64-C66 PolarHBondContact O-N 2.9Å; C66-P91 WeakPolarHBondContact O-CD 3.29Å; C66-P91 WeakPolarHBondContact O-CG 3.49Å; C66-T134 HydrophobicContact CB-CG2 4.3Å; C66-Y137 HydrophobicContact CB-CD1 4.4Å; C66-Y137 HydrophobicContact CB-CE1 4.32Å
67G97.8Very high94.6Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-176.3152.3171.300000113.1A18 P91A18-G67 PolarHBondContact N-O 2.98Å; G67-P91 VanDerWaalsContact CA-O 3.29Å; G67-P91 WeakPolarHBondContact CA-O 3.47Å
68V98.3Very high94.6Very high0 Ų045.3 Ų45.30%023%0.23CC..EExtended strand (participates in β ladder)trans-125.5123.8176.5-175.40000109.4A18 L55 I59 L65 F70 I83 L90 P91 L92 Y93A18-V68 CarbonylContact O-C 3.57Å; A18-V68 WeakPolarHBondContact O-CA 3.41Å; L55-V68 HydrophobicContact CD1-CG1 4.19Å; L55-V68 HydrophobicContact CD1-CG2 4.09Å; L55-V68 HydrophobicContact CD2-CG1 3.61Å; I59-V68 HydrophobicContact CD1-CG2 4.31Å; L65-V68 HydrophobicContact CD2-CG2 3.91Å; V68-F70 HydrophobicContact CG1-CD1 3.98Å; V68-I83 HydrophobicContact CG2-CD1 4.42Å; V68-L90 HydrophobicContact CG2-CD2 3.96Å; V68-P91 PolarHBondContact N-O 3.24Å; V68-L92 HydrophobicContact CB-CD2 3.98Å; V68-L92 HydrophobicContact CG2-CD2 4.29Å; V68-Y93 PolarHBondContact O-N 3.05Å
69I98.2Very high94.6Very high0 Ų044 Ų440%022%0.223CC..EExtended strand (participates in β ladder)trans-102126.2173.5-62.5165.8000108.8I17 A18 I19 L20 I32 L35 L39 Y93 F95 I130I17-I69 HydrophobicContact CG2-CD1 3.67Å; I17-I69 HydrophobicContact CG2-CG1 4.07Å; A18-I69 PolarHBondContact O-N 3.42Å; I19-I69 HydrophobicContact CD1-CD1 4.2Å; I19-I69 HydrophobicContact CG1-CB 4.16Å; I19-I69 HydrophobicContact CG1-CD1 3.94Å; L20-I69 PolarHBondContact N-O 3.39Å; I32-I69 HydrophobicContact CD1-CG2 3.94Å; L35-I69 HydrophobicContact CD2-CD1 3.82Å; L35-I69 HydrophobicContact CG-CD1 4.47Å; L39-I69 HydrophobicContact CD1-CD1 3.75Å; I69-Y93 WeakPolarHBondContact CA-O 3.29Å; I69-Y93 HydrophobicContact CG1-CD2 3.84Å; I69-Y93 HydrophobicContact CG1-CG 4.25Å; I69-F95 HydrophobicContact CG2-CD2 3.87Å; I69-F95 HydrophobicContact CG2-CE2 3.6Å; I69-I130 HydrophobicContact CD1-CD1 4.08Å
70F97.6Very high94.6Very high0 Ų043.1 Ų43.10%022%0.219CC..EExtended strand (participates in β ladder)trans-154.4161.4-18065.5-84.2000112.1L20 V68 W72 Y75 L79 L92 Y93 A94 F95L20-F70 HydrophobicContact CB-CB 4.43Å; V68-F70 HydrophobicContact CG1-CD1 3.98Å; F70-W72 HydrophobicContact CE2-CE3 4.02Å; F70-W72 HydrophobicContact CZ-CE3 4.16Å; F70-W72 HydrophobicContact CZ-CZ3 4.39Å; F70-Y75 HydrophobicContact CB-CD2 4.05Å; F70-L79 HydrophobicContact CB-CD1 4.44Å; F70-L79 HydrophobicContact CD1-CD1 4.27Å; F70-L79 HydrophobicContact CD2-CD1 4.3Å; F70-L79 HydrophobicContact CG-CD1 4.09Å; F70-L92 HydrophobicContact CE1-CB 3.98Å; F70-L92 HydrophobicContact CE1-CD1 4.44Å; F70-L92 HydrophobicContact CE1-CD2 4.15Å; F70-L92 HydrophobicContact CE1-CG 4.41Å; F70-Y93 PolarHBondContact N-O 3.15Å; F70-A94 HydrophobicContact CE2-CB 4.5Å; F70-A94 HydrophobicContact CZ-CB 4.23Å; F70-F95 PolarHBondContact O-N 3.49Å
71D96.9Very high94.8Very high4 Ų443.1 Ų43.12%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-76.1122.1170.8-171.1-96.9000110.7M23 K28 D73 K74 Y75 N97 Y118M23-D71 HydrophobicContact CE-CB 3.81Å; M23-D71 VanDerWaalsContact CE-CG 3.42Å; M23-D71 WeakPolarHBondContact CE-OD2 3.34Å; M23-D71 HydrophobicContact SD-CB 4.09Å; K28-D71 IonicContact NZ-OD1 3.42Å; K28-D71 IonicContact NZ-OD2 2.82Å; K28-D71 PolarHBondContact NZ-OD2 3.26Å; D71-D73 PolarHBondContact O-N 3.31Å; D71-K74 HydrophobicContact CB-CB 3.97Å; D71-K74 PolarHBondContact O-N 3.33Å; D71-K74 PolarHBondContact OD1-N 3.21Å; D71-Y75 PolarHBondContact O-N 2.74Å; D71-N97 PolarHBondContact OD1-ND2 3.25Å; D71-Y118 WeakPolarHBondContact CB-OH 3.5Å; D71-Y118 VanDerWaalsContact OD2-CE2 3.27Å; D71-Y118 WeakPolarHBondContact OD2-CE2 3.47Å; D71-Y118 PolarHBondContact OD2-OH 3.28Å
72W96Very high95.1Very high1 Ų141.6 Ų41.60%0.00421%0.209CC..Hα-helixtrans-56.3-55.1-171178.5-106.4000112.4F70 K74 Y75 N76 A94 F95 T101 L102 L106 I113 F115F70-W72 HydrophobicContact CE2-CE3 4.02Å; F70-W72 HydrophobicContact CZ-CE3 4.16Å; F70-W72 HydrophobicContact CZ-CZ3 4.39Å; W72-K74 PolarHBondContact O-N 3.34Å; W72-Y75 PolarHBondContact O-N 3.09Å; W72-N76 HydrophobicContact CD2-CB 3.74Å; W72-N76 VanDerWaalsContact CE2-ND2 3.28Å; W72-N76 HydrophobicContact CE3-CB 3.75Å; W72-N76 HydrophobicContact CG-CB 4.38Å; W72-N76 HydrophobicContact CH2-CB 3.99Å; W72-N76 HydrophobicContact CZ2-CB 3.92Å; W72-N76 HydrophobicContact CZ3-CB 3.9Å; W72-N76 PolarHBondContact NE1-ND2 2.99Å; W72-N76 WeakPolarHBondContact O-CB 3.45Å; W72-N76 PolarHBondContact O-N 3.37Å; W72-N76 PolarHBondContact O-ND2 2.99Å; W72-N76 PolarHBondContact O-OD1 2.96Å; W72-A94 HydrophobicContact CB-CB 4.24Å; W72-A94 HydrophobicContact CD2-CB 4.22Å; W72-A94 HydrophobicContact CE3-CB 3.45Å; W72-A94 VanDerWaalsContact CE3-CB 3.45Å; W72-A94 HydrophobicContact CZ3-CB 4.16Å; W72-F95 WeakPolarHBondContact CB-O 3.48Å; W72-F95 PolarHBondContact N-O 3.24Å; W72-T101 PolarHBondContact NE1-O 3.41Å; W72-L102 HydrophobicContact CH2-CD2 4.11Å; W72-L102 HydrophobicContact CZ2-CD2 3.4Å; W72-L102 VanDerWaalsContact CZ2-CD2 3.4Å; W72-L106 HydrophobicContact CH2-CD1 3.61Å; W72-L106 HydrophobicContact CZ2-CD1 3.54Å; W72-I113 HydrophobicContact CH2-CD1 3.91Å; W72-I113 HydrophobicContact CZ3-CD1 3.94Å; W72-I113 HydrophobicContact CZ3-CG2 4.21Å; W72-F115 AromaticContact CD2-CE1 3.73Å; W72-F115 HydrophobicContact CD2-CE1 3.73Å; W72-F115 HydrophobicContact CD2-CZ 4.46Å; W72-F115 AromaticContact CE2-CE1 3.94Å; W72-F115 AromaticContact CE3-CE1 3.87Å; W72-F115 HydrophobicContact CE3-CE1 3.87Å; W72-F115 HydrophobicContact CE3-CZ 4.43Å; W72-F115 HydrophobicContact CG-CE1 4.21Å; W72-F115 HydrophobicContact CH2-CE1 4.34Å; W72-F115 HydrophobicContact CH2-CZ 4.14Å; W72-F115 HydrophobicContact CZ2-CE1 4.26Å; W72-F115 HydrophobicContact CZ2-CZ 4.22Å; W72-F115 HydrophobicContact CZ3-CE1 4.15Å; W72-F115 HydrophobicContact CZ3-CZ 4.25Å
73D93.5Very high95.2Very high69 Ų6938.1 Ų38.137%0.36919%0.19SC..Hα-helixtrans-67.3-24.4-174.8-61.8-23.3000112.6D71 N97 S100D71-D73 PolarHBondContact O-N 3.31Å; D73-N97 VanDerWaalsContact OD2-CB 3.31Å; D73-N97 WeakPolarHBondContact OD2-CB 3.49Å; D73-N97 PolarHBondContact OD2-ND2 3.19Å; D73-S100 VanDerWaalsContact OD1-CA 3.28Å; D73-S100 WeakPolarHBondContact OD1-CA 2.81Å; D73-S100 WeakPolarHBondContact OD1-CB 3.42Å; D73-S100 PolarHBondContact OD1-OG 3.48Å; D73-S100 PolarHBondContact OD2-OG 2.97Å; D73-S100 VanDerWaalsContact OD2-OG 3.08Å
74K94.1Very high95.1Very high78 Ų7834.5 Ų34.534%0.33916%0.16SC..Hα-helixtrans-78.9-35.8-179-168.7173.5178.9-163.70112.9H22 M23 D71 W72H22-K74 PolarHBondContact O-NZ 3.16Å; M23-K74 HydrophobicContact CE-CD 4.18Å; M23-K74 HydrophobicContact SD-CD 3.57Å; M23-K74 VanDerWaalsContact SD-CD 3.57Å; D71-K74 HydrophobicContact CB-CB 3.97Å; D71-K74 PolarHBondContact O-N 3.33Å; D71-K74 PolarHBondContact OD1-N 3.21Å; W72-K74 PolarHBondContact O-N 3.34Å
75Y95.5Very high94.9Very high23 Ų2331.3 Ų31.39%0.0915%0.15CC..Hα-helixtrans-130.2-4.5-167.7-62.2-70.9000115.7L20 F70 D71 W72 L77 E78 L79L20-Y75 HydrophobicContact CD2-CD1 3.78Å; L20-Y75 HydrophobicContact CD2-CD2 3.97Å; L20-Y75 HydrophobicContact CD2-CE1 3.7Å; L20-Y75 HydrophobicContact CD2-CE2 3.88Å; L20-Y75 HydrophobicContact CD2-CG 3.92Å; L20-Y75 HydrophobicContact CG-CD2 4.31Å; L20-Y75 HydrophobicContact CG-CE1 4.21Å; L20-Y75 HydrophobicContact CG-CE2 3.81Å; F70-Y75 HydrophobicContact CB-CD2 4.05Å; D71-Y75 PolarHBondContact O-N 2.74Å; W72-Y75 PolarHBondContact O-N 3.09Å; Y75-L77 PolarHBondContact O-N 3.18Å; Y75-E78 PolarHBondContact O-N 3.44Å; Y75-E78 VanDerWaalsContact O-N 3.09Å; Y75-L79 HydrophobicContact CG-CD1 4.31Å; Y75-L79 WeakPolarHBondContact O-CB 3.32Å; Y75-L79 PolarHBondContact O-N 2.88Å
76N92.2Very high94.5Very high13 Ų1332.2 Ų32.27%0.0715%0.154CC..Hα-helixtrans-54.9-49.2-176.658.56000113.1W72 E78 C80W72-N76 HydrophobicContact CD2-CB 3.74Å; W72-N76 VanDerWaalsContact CE2-ND2 3.28Å; W72-N76 HydrophobicContact CE3-CB 3.75Å; W72-N76 HydrophobicContact CG-CB 4.38Å; W72-N76 HydrophobicContact CH2-CB 3.99Å; W72-N76 HydrophobicContact CZ2-CB 3.92Å; W72-N76 HydrophobicContact CZ3-CB 3.9Å; W72-N76 PolarHBondContact NE1-ND2 2.99Å; W72-N76 WeakPolarHBondContact O-CB 3.45Å; W72-N76 PolarHBondContact O-N 3.37Å; W72-N76 PolarHBondContact O-ND2 2.99Å; W72-N76 PolarHBondContact O-OD1 2.96Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 PolarHBondContact O-N 2.87Å; N76-C80 VanDerWaalsContact O-CB 3.25Å; N76-C80 WeakPolarHBondContact O-CB 3.26Å; N76-C80 PolarHBondContact O-N 2.98Å; N76-C80 PolarHBondContact O-SG 3.38Å
77L91.3Very high94.2Very high110 Ų11033.8 Ų33.858%0.57616%0.163SC*.Hα-helixtrans-69-24.2179.7-63.1179000112.6Y75 D103Y75-L77 PolarHBondContact O-N 3.18Å; L77-D103 HydrophobicContact CD2-CB 3.89Å
78E91.8Very high94Very high99 Ų9934.9 Ų34.946%0.46317%0.168SC..Hα-helixtrans-90.2-26.6-178.2-61.6-175.6-16100113.4R52 Y75 N76R52-E78 HydrophobicContact CG-CB 4.16Å; Y75-E78 PolarHBondContact O-N 3.44Å; Y75-E78 VanDerWaalsContact O-N 3.09Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 PolarHBondContact O-N 2.87Å
79L95Very high93.9Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-108.5-39.9-171.6-71.1-179.2000114.5L20 R52 L55 L56 F70 Y75 E81 E82 I83L20-L79 HydrophobicContact CD2-CD1 3.97Å; R52-L79 HydrophobicContact CG-CD2 3.82Å; L55-L79 HydrophobicContact CD2-CD1 3.93Å; L55-L79 HydrophobicContact CD2-CD2 3.73Å; L56-L79 HydrophobicContact CD2-CD2 4.48Å; F70-L79 HydrophobicContact CB-CD1 4.44Å; F70-L79 HydrophobicContact CD1-CD1 4.27Å; F70-L79 HydrophobicContact CD2-CD1 4.3Å; F70-L79 HydrophobicContact CG-CD1 4.09Å; Y75-L79 HydrophobicContact CG-CD1 4.31Å; Y75-L79 WeakPolarHBondContact O-CB 3.32Å; Y75-L79 PolarHBondContact O-N 2.88Å; L79-E81 PolarHBondContact O-N 3.26Å; L79-E82 PolarHBondContact O-N 3.33Å; L79-I83 HydrophobicContact CB-CD1 4.03Å; L79-I83 HydrophobicContact CD2-CD1 4.41Å; L79-I83 WeakPolarHBondContact O-CB 3.35Å; L79-I83 WeakPolarHBondContact O-CG1 3.34Å; L79-I83 PolarHBondContact O-N 3.12Å
80C94.3Very high93.8Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-59.9-47-166.1-71.80000112.1N76 S84 L106 L109 L111N76-C80 VanDerWaalsContact O-CB 3.25Å; N76-C80 WeakPolarHBondContact O-CB 3.26Å; N76-C80 PolarHBondContact O-N 2.98Å; N76-C80 PolarHBondContact O-SG 3.38Å; C80-S84 WeakPolarHBondContact O-CB 3.41Å; C80-S84 PolarHBondContact O-N 3.4Å; C80-S84 PolarHBondContact O-OG 2.82Å; C80-L106 HydrophobicContact CB-CD2 3.64Å; C80-L109 HydrophobicContact CB-CD1 3.97Å; C80-L111 HydrophobicContact CB-CD1 3.69Å; C80-L111 HydrophobicContact CB-CD2 4.42Å; C80-L111 WeakPolarHBondContact O-CD2 3.41Å
81E93.9Very high93.8Very high98 Ų9836.9 Ų36.946%0.45818%0.179SC..Hα-helixtrans-63-50.1179.5-168.2-170.8165.600111.4L79 I83 S84 K85 L109L79-E81 PolarHBondContact O-N 3.26Å; E81-I83 PolarHBondContact O-N 3.01Å; E81-S84 PolarHBondContact O-N 2.71Å; E81-S84 PolarHBondContact O-OG 3.45Å; E81-K85 VanDerWaalsContact CD-NZ 3.31Å; E81-K85 WeakPolarHBondContact O-CG 3.44Å; E81-K85 PolarHBondContact O-N 3.45Å; E81-K85 WeakPolarHBondContact OE1-CE 3.26Å; E81-K85 IonicContact OE1-NZ 2.77Å; E81-K85 PolarHBondContact OE1-NZ 2.94Å; E81-L109 HydrophobicContact CB-CD1 4.22Å; E81-L109 HydrophobicContact CG-CD2 4.34Å
82E94Very high93.9Very high60 Ų6036.7 Ų36.728%0.2818%0.178SC..Hα-helixtrans-65.9-39.8-177.4-67.4-56120.700112.7L56 L79 K85 M86L56-E82 HydrophobicContact CD1-CB 4.09Å; L56-E82 HydrophobicContact CD1-CG 4.28Å; L56-E82 HydrophobicContact CD2-CB 3.86Å; L79-E82 PolarHBondContact O-N 3.33Å; E82-K85 PolarHBondContact O-N 3.27Å; E82-K85 IonicContact OE1-NZ 3.53Å; E82-K85 PolarHBondContact OE1-NZ 2.98Å; E82-M86 WeakPolarHBondContact O-CG 3.39Å; E82-M86 PolarHBondContact O-N 3.43Å
83I94.5Very high94Very high1 Ų136.7 Ų36.71%0.00518%0.178CC..Hα-helixtrans-66-42.6174.6-66.3177.6000110.5L56 I59 V68 L79 E81 K85 M86 N87 L90 L92L56-I83 HydrophobicContact CD2-CG1 4.45Å; I59-I83 HydrophobicContact CD1-CD1 4.18Å; I59-I83 HydrophobicContact CD1-CG1 4.02Å; V68-I83 HydrophobicContact CG2-CD1 4.42Å; L79-I83 HydrophobicContact CB-CD1 4.03Å; L79-I83 HydrophobicContact CD2-CD1 4.41Å; L79-I83 WeakPolarHBondContact O-CB 3.35Å; L79-I83 WeakPolarHBondContact O-CG1 3.34Å; L79-I83 PolarHBondContact O-N 3.12Å; E81-I83 PolarHBondContact O-N 3.01Å; I83-K85 PolarHBondContact O-N 3.36Å; I83-M86 HydrophobicContact CG1-CE 4.33Å; I83-M86 PolarHBondContact O-N 2.87Å; I83-N87 CarbonylContact O-C 3.58Å; I83-N87 PolarHBondContact O-N 3.18Å; I83-L90 HydrophobicContact CG2-CB 4.2Å; I83-L90 HydrophobicContact CG2-CD2 3.9Å; I83-L92 HydrophobicContact CD1-CD2 3.68Å; I83-L92 HydrophobicContact CG2-CD2 4.22Å
84S92.3Very high94.2Very high12 Ų1233.4 Ų33.48%0.08416%0.16CC..Hα-helixtrans-60.5-34.6177.778.60000112.5C80 E81 M86 E88C80-S84 WeakPolarHBondContact O-CB 3.41Å; C80-S84 PolarHBondContact O-N 3.4Å; C80-S84 PolarHBondContact O-OG 2.82Å; E81-S84 PolarHBondContact O-N 2.71Å; E81-S84 PolarHBondContact O-OG 3.45Å; S84-M86 VanDerWaalsContact C-N 3.3Å; S84-M86 PolarHBondContact O-N 3.3Å; S84-E88 WeakPolarHBondContact O-CG 3.25Å
85K90.3Very high94.3Very high86 Ų8629.8 Ų29.837%0.37414%0.144SC..Hα-helixtrans-68.9-27.4174.7-70.3170.1-173.8160.40112.7E81 E82 I83 R436E81-K85 VanDerWaalsContact CD-NZ 3.31Å; E81-K85 WeakPolarHBondContact O-CG 3.44Å; E81-K85 PolarHBondContact O-N 3.45Å; E81-K85 WeakPolarHBondContact OE1-CE 3.26Å; E81-K85 IonicContact OE1-NZ 2.77Å; E81-K85 PolarHBondContact OE1-NZ 2.94Å; E82-K85 PolarHBondContact O-N 3.27Å; E82-K85 IonicContact OE1-NZ 3.53Å; E82-K85 PolarHBondContact OE1-NZ 2.98Å; I83-K85 PolarHBondContact O-N 3.36Å; K85-R436 WeakPolarHBondContact O-CD 3.45Å
86M88.9Confident94.3Very high22 Ų2230 Ų3011%0.10815%0.151CC..Hα-helixtrans-90.9-48.8-178.9-69.8-170.4-65.700113.4L56 I59 E82 I83 S84L56-M86 HydrophobicContact CB-CE 4.29Å; L56-M86 HydrophobicContact CD2-CE 3.36Å; L56-M86 HydrophobicContact CG-CE 4.36Å; I59-M86 HydrophobicContact CB-CE 4.07Å; I59-M86 HydrophobicContact CB-SD 4.43Å; I59-M86 HydrophobicContact CD1-CE 3.94Å; I59-M86 HydrophobicContact CG2-CB 4.45Å; I59-M86 HydrophobicContact CG2-CE 3.85Å; I59-M86 HydrophobicContact CG2-SD 4.08Å; E82-M86 WeakPolarHBondContact O-CG 3.39Å; E82-M86 PolarHBondContact O-N 3.43Å; I83-M86 HydrophobicContact CG1-CE 4.33Å; I83-M86 PolarHBondContact O-N 2.87Å; S84-M86 VanDerWaalsContact C-N 3.3Å; S84-M86 PolarHBondContact O-N 3.3Å
87N92.4Very high94.4Very high33 Ų3331.5 Ų31.518%0.17616%0.159CC..  trans-153.7100.1-177.5-175.4-7.3000110.2I83 N89 L90 Y137I83-N87 CarbonylContact O-C 3.58Å; I83-N87 PolarHBondContact O-N 3.18Å; N87-N89 PolarHBondContact O-N 3.26Å; N87-N89 VanDerWaalsContact O-N 3.11Å; N87-N89 PolarHBondContact OD1-N 3.12Å; N87-N89 VanDerWaalsContact OD1-N 3.14Å; N87-L90 HydrophobicContact CB-CB 4.03Å; N87-L90 PolarHBondContact O-N 3.04Å; N87-L90 PolarHBondContact OD1-N 2.82Å; N87-Y137 PolarHBondContact ND2-OH 3.1Å
88E93.1Very high94.4Very high24 Ų2432.5 Ų32.511%0.11217%0.17CC..THydrogen-bonded Turntrans-66.3-11.6-177.2-53.294.1131.900114.1S84 R110 N432S84-E88 WeakPolarHBondContact O-CG 3.25Å; E88-R110 HydrophobicContact CB-CB 4.39Å; E88-N432 WeakPolarHBondContact OE1-CB 3.3Å; E88-N432 PolarHBondContact OE1-N 3Å; E88-N432 VanDerWaalsContact OE1-N 3.09Å; E88-N432 PolarHBondContact OE1-ND2 2.85Å
89N95.3Very high94.5Very high36 Ų3637.7 Ų37.719%0.19319%0.187CC..THydrogen-bonded Turntrans-112.72.3-178.8-45.9-75.3000112.5N87 P91 R110 Y137 I141N87-N89 PolarHBondContact O-N 3.26Å; N87-N89 VanDerWaalsContact O-N 3.11Å; N87-N89 PolarHBondContact OD1-N 3.12Å; N87-N89 VanDerWaalsContact OD1-N 3.14Å; N89-P91 VanDerWaalsContact O-CD 3.31Å; N89-P91 WeakPolarHBondContact O-CD 3.29Å; N89-R110 PolarHBondContact ND2-NH2 2.9Å; N89-R110 PolarHBondContact OD1-NH1 3.27Å; N89-R110 PolarHBondContact OD1-NH2 3.2Å; N89-Y137 HydrophobicContact CB-CD2 4.02Å; N89-Y137 HydrophobicContact CB-CE2 3.97Å; N89-Y137 WeakPolarHBondContact O-CD2 3.32Å; N89-Y137 WeakPolarHBondContact O-CE2 3.27Å; N89-I141 HydrophobicContact CB-CG2 4.45Å
90L97.2Very high94.4Very high4 Ų439.4 Ų39.42%0.02120%0.199CC..  trans-64.3123.7-178.7-174.966000110.2I59 L65 V68 I83 N87 L92I59-L90 HydrophobicContact CD1-CD2 4.02Å; I59-L90 HydrophobicContact CG1-CD2 4.33Å; I59-L90 HydrophobicContact CG2-CD2 4.48Å; L65-L90 HydrophobicContact CD2-CD1 3.81Å; L65-L90 HydrophobicContact CD2-CD2 3.9Å; L65-L90 HydrophobicContact CD2-CG 4.4Å; L65-L90 WeakPolarHBondContact O-CD1 3.37Å; V68-L90 HydrophobicContact CG2-CD2 3.96Å; I83-L90 HydrophobicContact CG2-CB 4.2Å; I83-L90 HydrophobicContact CG2-CD2 3.9Å; N87-L90 HydrophobicContact CB-CB 4.03Å; N87-L90 PolarHBondContact O-N 3.04Å; N87-L90 PolarHBondContact OD1-N 2.82Å; L90-L92 PolarHBondContact O-N 3.19Å
91P98Very high94.2Very high1 Ų144.3 Ų44.31%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-63.5127.1177.9-26.236.9000113.3C66 G67 V68 N89 Y93 T133 Y137C66-P91 WeakPolarHBondContact O-CD 3.29Å; C66-P91 WeakPolarHBondContact O-CG 3.49Å; G67-P91 VanDerWaalsContact CA-O 3.29Å; G67-P91 WeakPolarHBondContact CA-O 3.47Å; V68-P91 PolarHBondContact N-O 3.24Å; N89-P91 VanDerWaalsContact O-CD 3.31Å; N89-P91 WeakPolarHBondContact O-CD 3.29Å; P91-Y93 HydrophobicContact CB-CE1 4.07Å; P91-Y93 HydrophobicContact CB-CE2 4.17Å; P91-Y93 WeakPolarHBondContact CB-OH 3.35Å; P91-T133 HydrophobicContact CB-CG2 3.81Å; P91-T133 HydrophobicContact CG-CG2 3.98Å; P91-Y137 HydrophobicContact CG-CG 4.1Å
92L98Very high94Very high1 Ų144.7 Ų44.71%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-108.9120.3174.8-62.4-172.5000109.7V68 F70 I83 L90 L111 Q112 I113 S114V68-L92 HydrophobicContact CB-CD2 3.98Å; V68-L92 HydrophobicContact CG2-CD2 4.29Å; F70-L92 HydrophobicContact CE1-CB 3.98Å; F70-L92 HydrophobicContact CE1-CD1 4.44Å; F70-L92 HydrophobicContact CE1-CD2 4.15Å; F70-L92 HydrophobicContact CE1-CG 4.41Å; I83-L92 HydrophobicContact CD1-CD2 3.68Å; I83-L92 HydrophobicContact CG2-CD2 4.22Å; L90-L92 PolarHBondContact O-N 3.19Å; L92-L111 HydrophobicContact CD1-CD2 4.05Å; L92-Q112 WeakPolarHBondContact CB-O 3.43Å; L92-Q112 PolarHBondContact N-O 3.02Å; L92-I113 HydrophobicContact CB-CG1 4.11Å; L92-I113 HydrophobicContact CD1-CG1 4.2Å; L92-I113 CarbonylContact O-C 3.57Å; L92-I113 WeakPolarHBondContact O-CA 3.41Å; L92-S114 PolarHBondContact O-N 3.03Å
93Y98.1Very high93.8Very high0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-105.485.6-179.5-56.5-55000108.9I17 V68 I69 F70 P91 F116 I130 T133I17-Y93 HydrophobicContact CD1-CE2 4.28Å; V68-Y93 PolarHBondContact O-N 3.05Å; I69-Y93 WeakPolarHBondContact CA-O 3.29Å; I69-Y93 HydrophobicContact CG1-CD2 3.84Å; I69-Y93 HydrophobicContact CG1-CG 4.25Å; F70-Y93 PolarHBondContact N-O 3.15Å; P91-Y93 HydrophobicContact CB-CE1 4.07Å; P91-Y93 HydrophobicContact CB-CE2 4.17Å; P91-Y93 WeakPolarHBondContact CB-OH 3.35Å; Y93-F116 AromaticContact CD1-CE2 3.63Å; Y93-F116 HydrophobicContact CD1-CE2 3.63Å; Y93-F116 HydrophobicContact CD1-CZ 4.25Å; Y93-F116 HydrophobicContact CG-CE2 4.06Å; Y93-I130 HydrophobicContact CD1-CG1 3.87Å; Y93-I130 HydrophobicContact CD2-CD1 4.08Å; Y93-I130 HydrophobicContact CD2-CG1 3.98Å; Y93-I130 HydrophobicContact CE1-CB 4.34Å; Y93-I130 HydrophobicContact CE1-CG1 3.71Å; Y93-I130 HydrophobicContact CE2-CB 4.26Å; Y93-I130 HydrophobicContact CE2-CD1 4.26Å; Y93-I130 HydrophobicContact CE2-CG1 3.81Å; Y93-I130 HydrophobicContact CE2-CG2 3.74Å; Y93-I130 HydrophobicContact CG-CD1 4.23Å; Y93-I130 HydrophobicContact CG-CG1 4.01Å; Y93-I130 PolarHBondContact OH-O 3.06Å; Y93-T133 HydrophobicContact CE1-CG2 4.02Å
94A97.3Very high93.6Very high0 Ų050.2 Ų50.20%027%0.269CS..EExtended strand (participates in β ladder)trans-85.5120.2-173.800000110.8F70 W72 I113 S114 F115 F116F70-A94 HydrophobicContact CE2-CB 4.5Å; F70-A94 HydrophobicContact CZ-CB 4.23Å; W72-A94 HydrophobicContact CB-CB 4.24Å; W72-A94 HydrophobicContact CD2-CB 4.22Å; W72-A94 HydrophobicContact CE3-CB 3.45Å; W72-A94 VanDerWaalsContact CE3-CB 3.45Å; W72-A94 HydrophobicContact CZ3-CB 4.16Å; A94-I113 HydrophobicContact CB-CG2 3.91Å; A94-S114 PolarHBondContact N-O 2.97Å; A94-F115 HydrophobicContact CB-CD1 3.93Å; A94-F115 HydrophobicContact CB-CE1 4Å; A94-F115 CarbonylContact O-C 3.58Å; A94-F115 VanDerWaalsContact O-CA 3.31Å; A94-F115 WeakPolarHBondContact O-CA 3.4Å; A94-F116 PolarHBondContact O-N 2.92Å
95F97.3Very high93.4Very high2 Ų252.7 Ų52.71%0.00929%0.286CS..EExtended strand (participates in β ladder)trans-86.6116.1171.8-81.3-105.1000110.2I32 L35 I69 F70 W72 F116 E117 Y118 I126I32-F95 HydrophobicContact CD1-CD1 4.39Å; I32-F95 HydrophobicContact CD1-CD2 4.12Å; I32-F95 HydrophobicContact CD1-CE1 4.07Å; I32-F95 HydrophobicContact CD1-CE2 3.79Å; I32-F95 HydrophobicContact CD1-CG 4.41Å; I32-F95 HydrophobicContact CD1-CZ 3.76Å; L35-F95 HydrophobicContact CD2-CE2 4.07Å; L35-F95 HydrophobicContact CD2-CZ 3.75Å; I69-F95 HydrophobicContact CG2-CD2 3.87Å; I69-F95 HydrophobicContact CG2-CE2 3.6Å; F70-F95 PolarHBondContact O-N 3.49Å; W72-F95 WeakPolarHBondContact CB-O 3.48Å; W72-F95 PolarHBondContact N-O 3.24Å; F95-F116 CarbonylContact C-O 3.36Å; F95-F116 WeakPolarHBondContact CA-O 3.43Å; F95-F116 HydrophobicContact CD1-CB 4.21Å; F95-F116 HydrophobicContact CD2-CB 4.41Å; F95-F116 HydrophobicContact CE1-CB 4Å; F95-F116 HydrophobicContact CE2-CB 4.19Å; F95-F116 HydrophobicContact CE2-CD2 4.17Å; F95-F116 HydrophobicContact CG-CB 4.41Å; F95-F116 HydrophobicContact CZ-CB 3.98Å; F95-F116 HydrophobicContact CZ-CD2 4.46Å; F95-E117 WeakPolarHBondContact CE1-O 3.39Å; F95-Y118 HydrophobicContact CB-CD1 4.46Å; F95-Y118 HydrophobicContact CB-CD2 4.23Å; F95-Y118 HydrophobicContact CB-CE1 3.8Å; F95-Y118 HydrophobicContact CB-CE2 3.54Å; F95-Y118 WeakPolarHBondContact CB-OH 3.42Å; F95-Y118 AromaticContact CD1-CD1 3.47Å; F95-Y118 HydrophobicContact CD1-CD1 3.47Å; F95-Y118 VanDerWaalsContact CD1-CD1 3.47Å; F95-Y118 HydrophobicContact CD1-CD2 4.24Å; F95-Y118 AromaticContact CD1-CE1 3.47Å; F95-Y118 HydrophobicContact CD1-CE1 3.47Å; F95-Y118 VanDerWaalsContact CD1-CE1 3.47Å; F95-Y118 HydrophobicContact CD1-CE2 4.25Å; F95-Y118 AromaticContact CD1-CG 3.89Å; F95-Y118 HydrophobicContact CD1-CG 3.89Å; F95-Y118 AromaticContact CD1-CZ 3.89Å; F95-Y118 HydrophobicContact CE1-CD1 4.06Å; F95-Y118 HydrophobicContact CE1-CE1 4.26Å; F95-Y118 HydrophobicContact CG-CD1 4.23Å; F95-Y118 AromaticContact CG-CE1 3.76Å; F95-Y118 HydrophobicContact CG-CE1 3.76Å; F95-Y118 HydrophobicContact CG-CE2 4.32Å; F95-Y118 AromaticContact CG-CZ 3.83Å; F95-I126 HydrophobicContact CE1-CD1 4.4Å; F95-I126 HydrophobicContact CZ-CD1 4.31Å
96A95.7Very high93.4Very high29 Ų2949.4 Ų49.424%0.2427%0.273CS..PPolyproline II helixtrans-87.1147.1-176.200000112F115 F116A96-F115 HydrophobicContact CB-CD1 4.32Å; A96-F116 PolarHBondContact N-O 2.97Å
97N93.3Very high93.3Very high43 Ų4354 Ų5423%0.2330%0.298CS..PPolyproline II helixtrans-101.2169.6166.6-57.7-63.5000110K28 D71 D73 Y99 S100K28-N97 WeakPolarHBondContact CE-OD1 3.34Å; K28-N97 PolarHBondContact NZ-ND2 2.86Å; K28-N97 PolarHBondContact NZ-OD1 2.8Å; D71-N97 PolarHBondContact OD1-ND2 3.25Å; D73-N97 VanDerWaalsContact OD2-CB 3.31Å; D73-N97 WeakPolarHBondContact OD2-CB 3.49Å; D73-N97 PolarHBondContact OD2-ND2 3.19Å; N97-Y99 PolarHBondContact O-N 3.39Å; N97-Y99 VanDerWaalsContact O-N 3.1Å; N97-S100 PolarHBondContact N-OG 3.23Å; N97-S100 WeakPolarHBondContact O-CB 3.41Å; N97-S100 PolarHBondContact O-N 2.98Å; N97-S100 PolarHBondContact O-OG 3.37Å
98T92.9Very high93.2Very high132 Ų13260.2 Ų60.281%0.8133%0.331SS*.THydrogen-bonded Turntrans-56.4-30.1-178.6-52.50000114.2
99Y92.3Very high93.1Very high207 Ų20761 Ų6181%0.81234%0.336SS*.THydrogen-bonded Turntrans-109.214.9-179.3-56-68.1000113.2N97 T101N97-Y99 PolarHBondContact O-N 3.39Å; N97-Y99 VanDerWaalsContact O-N 3.1Å; Y99-T101 PolarHBondContact O-N 3.36Å
100S92.6Very high92.9Very high37 Ų3766 Ų6626%0.25935%0.352SS..  trans-60.1129.1177-740000110.5D73 N97D73-S100 VanDerWaalsContact OD1-CA 3.28Å; D73-S100 WeakPolarHBondContact OD1-CA 2.81Å; D73-S100 WeakPolarHBondContact OD1-CB 3.42Å; D73-S100 PolarHBondContact OD1-OG 3.48Å; D73-S100 PolarHBondContact OD2-OG 2.97Å; D73-S100 VanDerWaalsContact OD2-OG 3.08Å; N97-S100 PolarHBondContact N-OG 3.23Å; N97-S100 WeakPolarHBondContact O-CB 3.41Å; N97-S100 PolarHBondContact O-N 2.98Å; N97-S100 PolarHBondContact O-OG 3.37Å
101T90.5Very high92.6Very high103 Ų10367.7 Ų67.763%0.63236%0.361SS*.  trans-123.3158.9177.6-172.90000109.8W72 Y99W72-T101 PolarHBondContact NE1-O 3.41Å; Y99-T101 PolarHBondContact O-N 3.36Å
102L91Very high92.4Very high106 Ų10671.2 Ų71.256%0.55538%0.377SS*.  trans-90.2126.7167.6-55.6-177.9000108W72 F115W72-L102 HydrophobicContact CH2-CD2 4.11Å; W72-L102 HydrophobicContact CZ2-CD2 3.4Å; W72-L102 VanDerWaalsContact CZ2-CD2 3.4Å; L102-F115 HydrophobicContact CD2-CE1 4.49Å; L102-F115 HydrophobicContact CD2-CZ 3.78Å
103D88.8Confident92.3Very high65 Ų6573.2 Ų73.235%0.34839%0.387SS..  trans-80.4150.6173.7-174.8-133.3000110.8L77 S105 L106L77-D103 HydrophobicContact CD2-CB 3.89Å; D103-S105 PolarHBondContact O-N 2.81Å; D103-S105 VanDerWaalsContact OD1-CB 3.24Å; D103-S105 WeakPolarHBondContact OD1-CB 3.37Å; D103-S105 PolarHBondContact OD1-N 2.67Å; D103-S105 PolarHBondContact OD1-OG 3.02Å; D103-L106 WeakPolarHBondContact O-CB 3.49Å; D103-L106 PolarHBondContact O-N 3.36Å; D103-L106 VanDerWaalsContact O-N 3.14Å
104V90.4Very high92.3Very high112 Ų11274.7 Ų74.768%0.67940%0.397SS*.G310 helixtrans-61.8-26.8-179.2720000112.3L106 N107V104-L106 PolarHBondContact O-N 2.71Å; V104-N107 PolarHBondContact O-N 3.07Å; V104-N107 PolarHBondContact O-ND2 3.16Å
105S88.3Confident92.3Very high63 Ų6379.3 Ų79.344%0.44142%0.418SS..G310 helixtrans-61.4-19.7177.3620000114D103D103-S105 PolarHBondContact O-N 2.81Å; D103-S105 VanDerWaalsContact OD1-CB 3.24Å; D103-S105 WeakPolarHBondContact OD1-CB 3.37Å; D103-S105 PolarHBondContact OD1-N 2.67Å; D103-S105 PolarHBondContact OD1-OG 3.02Å
106L89.1Confident92.3Very high18 Ų1880.1 Ų80.19%0.09442%0.421CS..G310 helixtrans-86-13.1-175.7-55.5179.2000113.6W72 C80 D103 V104 D108 L109W72-L106 HydrophobicContact CH2-CD1 3.61Å; W72-L106 HydrophobicContact CZ2-CD1 3.54Å; C80-L106 HydrophobicContact CB-CD2 3.64Å; D103-L106 WeakPolarHBondContact O-CB 3.49Å; D103-L106 PolarHBondContact O-N 3.36Å; D103-L106 VanDerWaalsContact O-N 3.14Å; V104-L106 PolarHBondContact O-N 2.71Å; L106-D108 VanDerWaalsContact C-N 3.33Å; L106-D108 PolarHBondContact O-N 3.32Å; L106-L109 HydrophobicContact CD2-CD1 3.9Å; L106-L109 PolarHBondContact O-N 2.86Å; L106-L109 VanDerWaalsContact O-N 3.17Å
107N88.3Confident92.3Very high118 Ų11885.8 Ų85.863%0.63144%0.443SS*.THydrogen-bonded Turntrans-63.7-35-170.1-73-18000113.8V104V104-N107 PolarHBondContact O-N 3.07Å; V104-N107 PolarHBondContact O-ND2 3.16Å
108D90.5Very high92.4Very high163 Ų16385.3 Ų85.387%0.87244%0.438SS*.THydrogen-bonded Turntrans-90.2-5.1-178.6-64.7-32.3000112.6L106L106-D108 VanDerWaalsContact C-N 3.33Å; L106-D108 PolarHBondContact O-N 3.32Å
109L90Very high92.5Very high42 Ų4281 Ų8122%0.2242%0.415CS..  trans-84.6125.5-178-56.8-176.3000110.6C80 E81 L106 L111C80-L109 HydrophobicContact CB-CD1 3.97Å; E81-L109 HydrophobicContact CB-CD1 4.22Å; E81-L109 HydrophobicContact CG-CD2 4.34Å; L106-L109 HydrophobicContact CD2-CD1 3.9Å; L106-L109 PolarHBondContact O-N 2.86Å; L106-L109 VanDerWaalsContact O-N 3.17Å; L109-L111 HydrophobicContact CB-CD1 3.73Å; L109-L111 HydrophobicContact CB-CG 3.85Å; L109-L111 HydrophobicContact CD1-CD1 4.12Å; L109-L111 PolarHBondContact O-N 3.01Å
110R91Very high92.6Very high141 Ų14176.5 Ų76.553%0.53241%0.405SS..  trans-79.7100.6171.4-160.7171.581.692-0.5109.1E88 N89E88-R110 HydrophobicContact CB-CB 4.39Å; N89-R110 PolarHBondContact ND2-NH2 2.9Å; N89-R110 PolarHBondContact OD1-NH1 3.27Å; N89-R110 PolarHBondContact OD1-NH2 3.2Å
111L91.4Very high92.6Very high39 Ų3977.9 Ų77.920%0.20443%0.425CS..  trans-126.8151-176.2-62.8168.1000110.7C80 L92 L109 I113C80-L111 HydrophobicContact CB-CD1 3.69Å; C80-L111 HydrophobicContact CB-CD2 4.42Å; C80-L111 WeakPolarHBondContact O-CD2 3.41Å; L92-L111 HydrophobicContact CD1-CD2 4.05Å; L109-L111 HydrophobicContact CB-CD1 3.73Å; L109-L111 HydrophobicContact CB-CG 3.85Å; L109-L111 HydrophobicContact CD1-CD1 4.12Å; L109-L111 PolarHBondContact O-N 3.01Å; L111-I113 HydrophobicContact CB-CD1 3.85Å; L111-I113 HydrophobicContact CB-CG1 3.91Å; L111-I113 HydrophobicContact CD1-CD1 3.87Å; L111-I113 HydrophobicContact CG-CD1 4.49Å
112Q94.4Very high92.9Very high75 Ų7574.3 Ų74.335%0.3541%0.406SS..EExtended strand (participates in β ladder)trans-111.9101.4168.517359.2-32.500109L92L92-Q112 WeakPolarHBondContact CB-O 3.43Å; L92-Q112 PolarHBondContact N-O 3.02Å
113I95.7Very high93.2Very high43 Ų4369.6 Ų69.622%0.22138%0.383CS..EExtended strand (participates in β ladder)trans-119.1131.3-172.6-56163.8000110.1W72 L92 A94 L111 F115W72-I113 HydrophobicContact CH2-CD1 3.91Å; W72-I113 HydrophobicContact CZ3-CD1 3.94Å; W72-I113 HydrophobicContact CZ3-CG2 4.21Å; L92-I113 HydrophobicContact CB-CG1 4.11Å; L92-I113 HydrophobicContact CD1-CG1 4.2Å; L92-I113 CarbonylContact O-C 3.57Å; L92-I113 WeakPolarHBondContact O-CA 3.41Å; A94-I113 HydrophobicContact CB-CG2 3.91Å; L111-I113 HydrophobicContact CB-CD1 3.85Å; L111-I113 HydrophobicContact CB-CG1 3.91Å; L111-I113 HydrophobicContact CD1-CD1 3.87Å; L111-I113 HydrophobicContact CG-CD1 4.49Å; I113-F115 HydrophobicContact CB-CE2 4.49Å; I113-F115 HydrophobicContact CG2-CD2 4.21Å; I113-F115 HydrophobicContact CG2-CE1 4.09Å; I113-F115 HydrophobicContact CG2-CE2 3.75Å; I113-F115 HydrophobicContact CG2-CZ 3.68Å
114S96.8Very high93.5Very high30 Ų3070.9 Ų70.921%0.2139%0.386CS..EExtended strand (participates in β ladder)trans-114.8132.6165.3-62.80000109.5L92 A94L92-S114 PolarHBondContact O-N 3.03Å; A94-S114 PolarHBondContact N-O 2.97Å
115F97.1Very high93.9Very high98 Ų9869.8 Ų69.843%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-96.4132178.1-67.4-80.6000111W72 A94 A96 L102 I113W72-F115 AromaticContact CD2-CE1 3.73Å; W72-F115 HydrophobicContact CD2-CE1 3.73Å; W72-F115 HydrophobicContact CD2-CZ 4.46Å; W72-F115 AromaticContact CE2-CE1 3.94Å; W72-F115 AromaticContact CE3-CE1 3.87Å; W72-F115 HydrophobicContact CE3-CE1 3.87Å; W72-F115 HydrophobicContact CE3-CZ 4.43Å; W72-F115 HydrophobicContact CG-CE1 4.21Å; W72-F115 HydrophobicContact CH2-CE1 4.34Å; W72-F115 HydrophobicContact CH2-CZ 4.14Å; W72-F115 HydrophobicContact CZ2-CE1 4.26Å; W72-F115 HydrophobicContact CZ2-CZ 4.22Å; W72-F115 HydrophobicContact CZ3-CE1 4.15Å; W72-F115 HydrophobicContact CZ3-CZ 4.25Å; A94-F115 HydrophobicContact CB-CD1 3.93Å; A94-F115 HydrophobicContact CB-CE1 4Å; A94-F115 CarbonylContact O-C 3.58Å; A94-F115 VanDerWaalsContact O-CA 3.31Å; A94-F115 WeakPolarHBondContact O-CA 3.4Å; A96-F115 HydrophobicContact CB-CD1 4.32Å; L102-F115 HydrophobicContact CD2-CE1 4.49Å; L102-F115 HydrophobicContact CD2-CZ 3.78Å; I113-F115 HydrophobicContact CB-CE2 4.49Å; I113-F115 HydrophobicContact CG2-CD2 4.21Å; I113-F115 HydrophobicContact CG2-CE1 4.09Å; I113-F115 HydrophobicContact CG2-CE2 3.75Å; I113-F115 HydrophobicContact CG2-CZ 3.68Å
116F97.3Very high94.3Very high18 Ų1867.3 Ų67.38%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-127.1159.4176.4-60.6-54.8000111.5Y93 A94 F95 A96 I126 K129 I130Y93-F116 AromaticContact CD1-CE2 3.63Å; Y93-F116 HydrophobicContact CD1-CE2 3.63Å; Y93-F116 HydrophobicContact CD1-CZ 4.25Å; Y93-F116 HydrophobicContact CG-CE2 4.06Å; A94-F116 PolarHBondContact O-N 2.92Å; F95-F116 CarbonylContact C-O 3.36Å; F95-F116 WeakPolarHBondContact CA-O 3.43Å; F95-F116 HydrophobicContact CD1-CB 4.21Å; F95-F116 HydrophobicContact CD2-CB 4.41Å; F95-F116 HydrophobicContact CE1-CB 4Å; F95-F116 HydrophobicContact CE2-CB 4.19Å; F95-F116 HydrophobicContact CE2-CD2 4.17Å; F95-F116 HydrophobicContact CG-CB 4.41Å; F95-F116 HydrophobicContact CZ-CB 3.98Å; F95-F116 HydrophobicContact CZ-CD2 4.46Å; A96-F116 PolarHBondContact N-O 2.97Å; F116-I126 HydrophobicContact CB-CD1 4.21Å; F116-I126 HydrophobicContact CD1-CD1 4.46Å; F116-I126 HydrophobicContact CD1-CG1 3.94Å; F116-I126 HydrophobicContact CD1-CG2 4.14Å; F116-I126 HydrophobicContact CD2-CG2 3.81Å; F116-I126 HydrophobicContact CE1-CG1 4.34Å; F116-I126 HydrophobicContact CE1-CG2 4.12Å; F116-I126 HydrophobicContact CE2-CG2 3.77Å; F116-I126 HydrophobicContact CG-CD1 4.36Å; F116-I126 HydrophobicContact CG-CG1 4.24Å; F116-I126 HydrophobicContact CG-CG2 3.99Å; F116-I126 HydrophobicContact CZ-CG2 3.94Å; F116-K129 HydrophobicContact CE1-CB 4.31Å; F116-K129 HydrophobicContact CE1-CD 3.9Å; F116-K129 HydrophobicContact CZ-CB 4.22Å; F116-I130 HydrophobicContact CE2-CG1 4.3Å
117E95.6Very high94.7Very high149 Ų14966.5 Ų66.570%0.69635%0.354SS*.  trans-104.6152.2175.3-64.3-172.5139.800111.2F95 A119F95-E117 WeakPolarHBondContact CE1-O 3.39Å; E117-A119 PolarHBondContact O-N 3.1Å; E117-A119 VanDerWaalsContact O-N 3.17Å
118Y95.6Very high95.1Very high33 Ų3364.3 Ų64.313%0.12934%0.342CS..  trans-79.392169.5-66.5-73.4000110.4N21 K28 P31 I32 D71 F95N21-Y118 PolarHBondContact ND2-OH 3.26Å; K28-Y118 HydrophobicContact CB-CD1 3.84Å; K28-Y118 HydrophobicContact CB-CD2 4.48Å; K28-Y118 HydrophobicContact CB-CE1 3.69Å; K28-Y118 HydrophobicContact CB-CE2 4.33Å; K28-Y118 HydrophobicContact CB-CG 4.22Å; K28-Y118 HydrophobicContact CD-CD2 4.18Å; K28-Y118 HydrophobicContact CD-CE1 4.42Å; K28-Y118 HydrophobicContact CD-CE2 3.66Å; K28-Y118 HydrophobicContact CG-CD1 4.07Å; K28-Y118 HydrophobicContact CG-CD2 3.81Å; K28-Y118 HydrophobicContact CG-CE1 4.03Å; K28-Y118 HydrophobicContact CG-CE2 3.75Å; K28-Y118 HydrophobicContact CG-CG 3.95Å; K28-Y118 WeakPolarHBondContact O-CD1 3.38Å; P31-Y118 HydrophobicContact CB-CD1 4.49Å; I32-Y118 HydrophobicContact CD1-CE1 4.13Å; I32-Y118 HydrophobicContact CG1-CD1 4.48Å; I32-Y118 HydrophobicContact CG1-CE1 3.96Å; D71-Y118 WeakPolarHBondContact CB-OH 3.5Å; D71-Y118 VanDerWaalsContact OD2-CE2 3.27Å; D71-Y118 WeakPolarHBondContact OD2-CE2 3.47Å; D71-Y118 PolarHBondContact OD2-OH 3.28Å; F95-Y118 HydrophobicContact CB-CD1 4.46Å; F95-Y118 HydrophobicContact CB-CD2 4.23Å; F95-Y118 HydrophobicContact CB-CE1 3.8Å; F95-Y118 HydrophobicContact CB-CE2 3.54Å; F95-Y118 WeakPolarHBondContact CB-OH 3.42Å; F95-Y118 AromaticContact CD1-CD1 3.47Å; F95-Y118 HydrophobicContact CD1-CD1 3.47Å; F95-Y118 VanDerWaalsContact CD1-CD1 3.47Å; F95-Y118 HydrophobicContact CD1-CD2 4.24Å; F95-Y118 AromaticContact CD1-CE1 3.47Å; F95-Y118 HydrophobicContact CD1-CE1 3.47Å; F95-Y118 VanDerWaalsContact CD1-CE1 3.47Å; F95-Y118 HydrophobicContact CD1-CE2 4.25Å; F95-Y118 AromaticContact CD1-CG 3.89Å; F95-Y118 HydrophobicContact CD1-CG 3.89Å; F95-Y118 AromaticContact CD1-CZ 3.89Å; F95-Y118 HydrophobicContact CE1-CD1 4.06Å; F95-Y118 HydrophobicContact CE1-CE1 4.26Å; F95-Y118 HydrophobicContact CG-CD1 4.23Å; F95-Y118 AromaticContact CG-CE1 3.76Å; F95-Y118 HydrophobicContact CG-CE1 3.76Å; F95-Y118 HydrophobicContact CG-CE2 4.32Å; F95-Y118 AromaticContact CG-CZ 3.83Å
119A95.4Very high95.5Very high40 Ų4060.6 Ų60.633%0.33132%0.319SS..  trans-134.5136.3178.400000111.9E117 A122E117-A119 PolarHBondContact O-N 3.1Å; E117-A119 VanDerWaalsContact O-N 3.17Å; A119-A122 HydrophobicContact CB-CB 4.1Å; A119-A122 PolarHBondContact O-N 3.15Å
120L94.5Very high95.9Very high113 Ų11358.6 Ų58.659%0.59231%0.308SS*.THydrogen-bonded Turntrans-67.1140.2172.6-63.1176.3000110.2E30 P31 A122E30-L120 HydrophobicContact CB-CD2 4Å; E30-L120 HydrophobicContact CG-CD2 3.68Å; P31-L120 HydrophobicContact CG-CD2 4.16Å; L120-A122 PolarHBondContact O-N 2.88Å
121G93.1Very high96.2Very high66 Ų6655.6 Ų55.668%0.6830%0.299SS*.THydrogen-bonded Turntrans78.8-4.7-179.200000115.2E34 A123E34-G121 PolarHBondContact OE2-N 3.1Å; G121-A123 VanDerWaalsContact C-N 3.3Å
122A96.3Very high96.4Very high28 Ų2859.4 Ų59.423%0.23132%0.316CS..  trans-79.8-10.7175.800000113.5A119 L120 E124 D125 I126A119-A122 HydrophobicContact CB-CB 4.1Å; A119-A122 PolarHBondContact O-N 3.15Å; L120-A122 PolarHBondContact O-N 2.88Å; A122-E124 PolarHBondContact O-N 2.93Å; A122-D125 PolarHBondContact O-N 3.28Å; A122-I126 HydrophobicContact CB-CD1 3.89Å; A122-I126 HydrophobicContact CB-CG1 4.43Å; A122-I126 WeakPolarHBondContact O-CG1 3.47Å; A122-I126 PolarHBondContact O-N 3.4Å
123A96.9Very high96.5Very high8 Ų856.4 Ų56.47%0.06630%0.302CS..Hα-helixtrans-57.1-39.5-171.100000114.7E34 L35 A38 G121 A127E34-A123 HydrophobicContact CB-CB 3.65Å; L35-A123 HydrophobicContact CB-CB 4.47Å; A38-A123 HydrophobicContact CB-CB 4.11Å; G121-A123 VanDerWaalsContact C-N 3.3Å; A123-A127 WeakPolarHBondContact O-CB 3.25Å; A123-A127 PolarHBondContact O-N 3.01Å
124E96.6Very high96.6Very high91 Ų9154.4 Ų54.443%0.42529%0.292SS..Hα-helixtrans-66.7-43.4179.6-70.4-67.8164.100112.2R41 A122 A127 N128R41-E124 IonicContact CZ-OE1 3.25Å; R41-E124 IonicContact NE-OE1 3.49Å; R41-E124 PolarHBondContact NE-OE1 3.12Å; R41-E124 IonicContact NH2-OE1 2.68Å; R41-E124 PolarHBondContact NH2-OE1 3.36Å; A122-E124 PolarHBondContact O-N 2.93Å; E124-A127 PolarHBondContact O-N 2.93Å; E124-N128 WeakPolarHBondContact O-CB 3.43Å; E124-N128 PolarHBondContact O-N 3.24Å; E124-N128 PolarHBondContact O-ND2 3.13Å
125D97.2Very high96.6Very high89 Ų8956 Ų5648%0.47630%0.298SS..Hα-helixtrans-67.5-43.9178-176.651.6000111A122 A127 N128 K129A122-D125 PolarHBondContact O-N 3.28Å; D125-A127 PolarHBondContact O-N 3.35Å; D125-N128 PolarHBondContact O-N 3Å; D125-K129 WeakPolarHBondContact O-CG 3.46Å; D125-K129 PolarHBondContact O-N 3.11Å; D125-K129 IonicContact OD1-NZ 2.81Å; D125-K129 VanDerWaalsContact OD2-CE 3.27Å; D125-K129 WeakPolarHBondContact OD2-CE 3.19Å; D125-K129 IonicContact OD2-NZ 3.95Å; D125-K129 PolarHBondContact OD2-NZ 3.39Å
126I97.8Very high96.6Very high12 Ų1256.1 Ų56.16%0.06230%0.3CS..Hα-helixtrans-62.4-43.8176.4-63.4169.8000110.7L35 F95 F116 A122 N128 K129 I130L35-I126 HydrophobicContact CD1-CB 4.02Å; L35-I126 HydrophobicContact CD1-CG2 3.69Å; L35-I126 HydrophobicContact CD2-CG2 3.89Å; L35-I126 HydrophobicContact CG-CG2 4.47Å; F95-I126 HydrophobicContact CE1-CD1 4.4Å; F95-I126 HydrophobicContact CZ-CD1 4.31Å; F116-I126 HydrophobicContact CB-CD1 4.21Å; F116-I126 HydrophobicContact CD1-CD1 4.46Å; F116-I126 HydrophobicContact CD1-CG1 3.94Å; F116-I126 HydrophobicContact CD1-CG2 4.14Å; F116-I126 HydrophobicContact CD2-CG2 3.81Å; F116-I126 HydrophobicContact CE1-CG1 4.34Å; F116-I126 HydrophobicContact CE1-CG2 4.12Å; F116-I126 HydrophobicContact CE2-CG2 3.77Å; F116-I126 HydrophobicContact CG-CD1 4.36Å; F116-I126 HydrophobicContact CG-CG1 4.24Å; F116-I126 HydrophobicContact CG-CG2 3.99Å; F116-I126 HydrophobicContact CZ-CG2 3.94Å; A122-I126 HydrophobicContact CB-CD1 3.89Å; A122-I126 HydrophobicContact CB-CG1 4.43Å; A122-I126 WeakPolarHBondContact O-CG1 3.47Å; A122-I126 PolarHBondContact O-N 3.4Å; I126-N128 PolarHBondContact O-N 3.07Å; I126-K129 PolarHBondContact O-N 3.18Å; I126-I130 HydrophobicContact CG2-CD1 3.95Å; I126-I130 HydrophobicContact CG2-CG1 4.41Å; I126-I130 WeakPolarHBondContact O-CG1 3.41Å; I126-I130 PolarHBondContact O-N 2.75Å
127A97.8Very high96.5Very high0 Ų056 Ų560%030%0.3CS..Hα-helixtrans-63-40.4178.300000112.3L35 A38 L39 L42 A123 E124 D125 I130 K131L35-A127 HydrophobicContact CD1-CB 4.13Å; A38-A127 HydrophobicContact CB-CB 3.68Å; L39-A127 HydrophobicContact CD2-CB 4.04Å; L39-A127 HydrophobicContact CG-CB 4.38Å; L42-A127 HydrophobicContact CD1-CB 3.81Å; L42-A127 WeakPolarHBondContact CD1-O 3.44Å; A123-A127 WeakPolarHBondContact O-CB 3.25Å; A123-A127 PolarHBondContact O-N 3.01Å; E124-A127 PolarHBondContact O-N 2.93Å; D125-A127 PolarHBondContact O-N 3.35Å; A127-I130 PolarHBondContact O-N 3.45Å; A127-K131 PolarHBondContact O-N 2.85Å
128N97.1Very high96.6Very high72 Ų7251.2 Ų51.239%0.38528%0.278SS..Hα-helixtrans-65.3-39.9174.7-75.7-42.8000112.3E124 D125 I126 K131 Q132E124-N128 WeakPolarHBondContact O-CB 3.43Å; E124-N128 PolarHBondContact O-N 3.24Å; E124-N128 PolarHBondContact O-ND2 3.13Å; D125-N128 PolarHBondContact O-N 3Å; I126-N128 PolarHBondContact O-N 3.07Å; N128-K131 PolarHBondContact O-N 3.02Å; N128-Q132 WeakPolarHBondContact O-CG 3.38Å; N128-Q132 PolarHBondContact O-N 3.44Å
129K97.8Very high96.6Very high85 Ų8553.2 Ų53.237%0.3729%0.291SS..Hα-helixtrans-62.2-46.4173-74171.9179.3161.50111.3F116 D125 I126 K131 Q132 T133F116-K129 HydrophobicContact CE1-CB 4.31Å; F116-K129 HydrophobicContact CE1-CD 3.9Å; F116-K129 HydrophobicContact CZ-CB 4.22Å; D125-K129 WeakPolarHBondContact O-CG 3.46Å; D125-K129 PolarHBondContact O-N 3.11Å; D125-K129 IonicContact OD1-NZ 2.81Å; D125-K129 VanDerWaalsContact OD2-CE 3.27Å; D125-K129 WeakPolarHBondContact OD2-CE 3.19Å; D125-K129 IonicContact OD2-NZ 3.95Å; D125-K129 PolarHBondContact OD2-NZ 3.39Å; I126-K129 PolarHBondContact O-N 3.18Å; K129-K131 VanDerWaalsContact C-N 3.28Å; K129-K131 PolarHBondContact O-N 3.33Å; K129-Q132 PolarHBondContact O-N 3.28Å; K129-Q132 VanDerWaalsContact O-N 3.16Å; K129-T133 PolarHBondContact O-N 2.84Å; K129-T133 PolarHBondContact O-OG1 3.45Å
130I97.9Very high96.7Very high0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-55.5-45.1174.2-72.2171.8000110.5I17 L35 L39 F44 I69 Y93 F116 I126 A127 Q132 T133 T134I17-I130 HydrophobicContact CD1-CG2 4.22Å; L35-I130 HydrophobicContact CD1-CD1 4.22Å; L35-I130 HydrophobicContact CD2-CD1 4.3Å; L39-I130 HydrophobicContact CD1-CD1 4.18Å; L39-I130 HydrophobicContact CD2-CB 4.05Å; L39-I130 HydrophobicContact CD2-CD1 3.95Å; L39-I130 HydrophobicContact CD2-CG2 3.69Å; F44-I130 HydrophobicContact CE2-CG2 4.39Å; F44-I130 HydrophobicContact CZ-CG2 4.34Å; I69-I130 HydrophobicContact CD1-CD1 4.08Å; Y93-I130 HydrophobicContact CD1-CG1 3.87Å; Y93-I130 HydrophobicContact CD2-CD1 4.08Å; Y93-I130 HydrophobicContact CD2-CG1 3.98Å; Y93-I130 HydrophobicContact CE1-CB 4.34Å; Y93-I130 HydrophobicContact CE1-CG1 3.71Å; Y93-I130 HydrophobicContact CE2-CB 4.26Å; Y93-I130 HydrophobicContact CE2-CD1 4.26Å; Y93-I130 HydrophobicContact CE2-CG1 3.81Å; Y93-I130 HydrophobicContact CE2-CG2 3.74Å; Y93-I130 HydrophobicContact CG-CD1 4.23Å; Y93-I130 HydrophobicContact CG-CG1 4.01Å; Y93-I130 PolarHBondContact OH-O 3.06Å; F116-I130 HydrophobicContact CE2-CG1 4.3Å; I126-I130 HydrophobicContact CG2-CD1 3.95Å; I126-I130 HydrophobicContact CG2-CG1 4.41Å; I126-I130 WeakPolarHBondContact O-CG1 3.41Å; I126-I130 PolarHBondContact O-N 2.75Å; A127-I130 PolarHBondContact O-N 3.45Å; I130-Q132 PolarHBondContact O-N 2.93Å; I130-T133 PolarHBondContact O-N 3.01Å; I130-T134 WeakPolarHBondContact O-CB 3.34Å; I130-T134 PolarHBondContact O-N 3.33Å; I130-T134 PolarHBondContact O-OG1 3.2Å
131K96.9Very high96.8Very high79 Ų7952.6 Ų52.634%0.34329%0.285SS..Hα-helixtrans-60.7-45.7177.1177.355.2-177.5154.10112.4L42 F44 A127 N128 K129 T134 D135L42-K131 HydrophobicContact CD1-CB 4.14Å; F44-K131 HydrophobicContact CE2-CB 4.26Å; F44-K131 HydrophobicContact CE2-CD 4.2Å; F44-K131 HydrophobicContact CZ-CD 4.09Å; A127-K131 PolarHBondContact O-N 2.85Å; N128-K131 PolarHBondContact O-N 3.02Å; K129-K131 VanDerWaalsContact C-N 3.28Å; K129-K131 PolarHBondContact O-N 3.33Å; K131-T134 PolarHBondContact O-N 2.76Å; K131-D135 WeakPolarHBondContact CE-OD2 3.5Å; K131-D135 IonicContact NZ-OD1 3.21Å; K131-D135 PolarHBondContact NZ-OD1 3.26Å; K131-D135 IonicContact NZ-OD2 3.95Å; K131-D135 PolarHBondContact NZ-OD2 3.05Å; K131-D135 PolarHBondContact O-N 3.29Å
132Q96.6Very high97Very high118 Ų11851.1 Ų51.155%0.55126%0.262SS*.Hα-helixtrans-61.4-46.8175.8-70.51739.400111.5N128 K129 I130 T134 D135 E136N128-Q132 WeakPolarHBondContact O-CG 3.38Å; N128-Q132 PolarHBondContact O-N 3.44Å; K129-Q132 PolarHBondContact O-N 3.28Å; K129-Q132 VanDerWaalsContact O-N 3.16Å; I130-Q132 PolarHBondContact O-N 2.93Å; Q132-T134 VanDerWaalsContact C-N 3.31Å; Q132-T134 PolarHBondContact O-N 3.26Å; Q132-D135 PolarHBondContact O-N 3.21Å; Q132-D135 VanDerWaalsContact O-N 3.11Å; Q132-E136 WeakPolarHBondContact O-CG 3.31Å; Q132-E136 PolarHBondContact O-N 3.29Å
133T97.6Very high97.1Very high12 Ų1250 Ų507%0.07425%0.252CS..Hα-helixtrans-62.2-36.6176.7-53.80000112.1P91 Y93 K129 I130 E136 Y137P91-T133 HydrophobicContact CB-CG2 3.81Å; P91-T133 HydrophobicContact CG-CG2 3.98Å; Y93-T133 HydrophobicContact CE1-CG2 4.02Å; K129-T133 PolarHBondContact O-N 2.84Å; K129-T133 PolarHBondContact O-OG1 3.45Å; I130-T133 PolarHBondContact O-N 3.01Å; T133-E136 PolarHBondContact O-N 2.96Å; T133-Y137 WeakPolarHBondContact O-CB 3.37Å; T133-Y137 PolarHBondContact O-N 3.25Å
134T96.8Very high97.2Very high1 Ų150.9 Ų50.91%0.00626%0.257CS..Hα-helixtrans-63.2-42.5172.8-62.80000111.4F44 C66 I130 K131 Q132 Y137 I138F44-T134 HydrophobicContact CE1-CG2 4.17Å; F44-T134 HydrophobicContact CZ-CG2 4.31Å; C66-T134 HydrophobicContact CB-CG2 4.3Å; I130-T134 WeakPolarHBondContact O-CB 3.34Å; I130-T134 PolarHBondContact O-N 3.33Å; I130-T134 PolarHBondContact O-OG1 3.2Å; K131-T134 PolarHBondContact O-N 2.76Å; Q132-T134 VanDerWaalsContact C-N 3.31Å; Q132-T134 PolarHBondContact O-N 3.26Å; T134-Y137 WeakPolarHBondContact O-CB 3.43Å; T134-Y137 PolarHBondContact O-N 3.06Å; T134-I138 HydrophobicContact CG2-CD1 4.07Å; T134-I138 VanDerWaalsContact O-CG1 3.31Å; T134-I138 WeakPolarHBondContact O-CG1 3.21Å; T134-I138 PolarHBondContact O-N 3.26Å
135D95.8Very high97.3Very high63 Ų6346.6 Ų46.634%0.33724%0.237SC..Hα-helixtrans-67.6-37.8177.8-67.1-18.5000111.6K131 Q132 I138 N139K131-D135 WeakPolarHBondContact CE-OD2 3.5Å; K131-D135 IonicContact NZ-OD1 3.21Å; K131-D135 PolarHBondContact NZ-OD1 3.26Å; K131-D135 IonicContact NZ-OD2 3.95Å; K131-D135 PolarHBondContact NZ-OD2 3.05Å; K131-D135 PolarHBondContact O-N 3.29Å; Q132-D135 PolarHBondContact O-N 3.21Å; Q132-D135 VanDerWaalsContact O-N 3.11Å; D135-I138 PolarHBondContact O-N 2.95Å; D135-N139 WeakPolarHBondContact O-CB 3.44Å; D135-N139 VanDerWaalsContact O-CG 3.28Å; D135-N139 PolarHBondContact O-N 2.87Å; D135-N139 PolarHBondContact O-ND2 3.2Å; D135-N139 VanDerWaalsContact O-ND2 3.17Å
136E97.1Very high97.3Very high101 Ų10142.4 Ų42.447%0.47222%0.215SC..Hα-helixtrans-62.4-42.7171-71.3171-177.900112.2Q132 T133 N139 T140Q132-E136 WeakPolarHBondContact O-CG 3.31Å; Q132-E136 PolarHBondContact O-N 3.29Å; T133-E136 PolarHBondContact O-N 2.96Å; E136-N139 PolarHBondContact O-N 3.47Å; E136-T140 WeakPolarHBondContact O-CB 3.28Å; E136-T140 PolarHBondContact O-N 2.96Å; E136-T140 PolarHBondContact O-OG1 2.8Å
137Y96.8Very high97.3Very high17 Ų1745.1 Ų45.17%0.06723%0.226CC..Hα-helixtrans-60.1-50.1175166.9-117.8000111M14 C66 N87 N89 P91 T133 T134 N139 T140 I141M14-Y137 HydrophobicContact CG-CE1 4.27Å; M14-Y137 HydrophobicContact SD-CE1 4.26Å; C66-Y137 HydrophobicContact CB-CD1 4.4Å; C66-Y137 HydrophobicContact CB-CE1 4.32Å; N87-Y137 PolarHBondContact ND2-OH 3.1Å; N89-Y137 HydrophobicContact CB-CD2 4.02Å; N89-Y137 HydrophobicContact CB-CE2 3.97Å; N89-Y137 WeakPolarHBondContact O-CD2 3.32Å; N89-Y137 WeakPolarHBondContact O-CE2 3.27Å; P91-Y137 HydrophobicContact CG-CG 4.1Å; T133-Y137 WeakPolarHBondContact O-CB 3.37Å; T133-Y137 PolarHBondContact O-N 3.25Å; T134-Y137 WeakPolarHBondContact O-CB 3.43Å; T134-Y137 PolarHBondContact O-N 3.06Å; Y137-N139 VanDerWaalsContact C-N 3.31Å; Y137-N139 PolarHBondContact O-N 2.83Å; Y137-T140 WeakPolarHBondContact O-CB 3.39Å; Y137-T140 PolarHBondContact O-N 3.28Å; Y137-I141 HydrophobicContact CD2-CG2 4Å; Y137-I141 HydrophobicContact CE1-CD1 3.99Å; Y137-I141 HydrophobicContact CE2-CD1 4.21Å; Y137-I141 HydrophobicContact CE2-CG2 3.6Å; Y137-I141 WeakPolarHBondContact O-CG1 3.44Å; Y137-I141 PolarHBondContact O-N 3.42Å
138I96.7Very high97.3Very high47 Ų4746.3 Ų46.324%0.24124%0.236CC..Hα-helixtrans-57.8-45.2176.7-68.6166.7000110.6M14 T134 D135 T140 I141 L142M14-I138 HydrophobicContact CB-CD1 4.03Å; M14-I138 HydrophobicContact CB-CG1 4.29Å; M14-I138 HydrophobicContact CG-CD1 4.38Å; M14-I138 HydrophobicContact CG-CG1 4.23Å; T134-I138 HydrophobicContact CG2-CD1 4.07Å; T134-I138 VanDerWaalsContact O-CG1 3.31Å; T134-I138 WeakPolarHBondContact O-CG1 3.21Å; T134-I138 PolarHBondContact O-N 3.26Å; D135-I138 PolarHBondContact O-N 2.95Å; I138-T140 VanDerWaalsContact C-N 3.27Å; I138-T140 PolarHBondContact O-N 3.31Å; I138-I141 WeakPolarHBondContact O-CG1 3.44Å; I138-I141 PolarHBondContact O-N 2.97Å; I138-L142 HydrophobicContact CG2-CD1 3.72Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CB 3.45Å; I138-L142 WeakPolarHBondContact O-CG 3.44Å; I138-L142 PolarHBondContact O-N 3.13Å
139N96.3Very high97.4Very high75 Ų7543 Ų4340%0.40122%0.218SC..Hα-helixtrans-65.3-29.6176.6-76.2-33.1000112.8D135 E136 Y137 K147D135-N139 WeakPolarHBondContact O-CB 3.44Å; D135-N139 VanDerWaalsContact O-CG 3.28Å; D135-N139 PolarHBondContact O-N 2.87Å; D135-N139 PolarHBondContact O-ND2 3.2Å; D135-N139 VanDerWaalsContact O-ND2 3.17Å; E136-N139 PolarHBondContact O-N 3.47Å; Y137-N139 VanDerWaalsContact C-N 3.31Å; Y137-N139 PolarHBondContact O-N 2.83Å; N139-K147 WeakPolarHBondContact O-CE 3.46Å; N139-K147 PolarHBondContact O-NZ 3.16Å
140T96.2Very high97.3Very high84 Ų8443.2 Ų43.252%0.51522%0.219SC..Hα-helixtrans-73.2-40.2178.9-62.20000111.8E136 Y137 I138E136-T140 WeakPolarHBondContact O-CB 3.28Å; E136-T140 PolarHBondContact O-N 2.96Å; E136-T140 PolarHBondContact O-OG1 2.8Å; Y137-T140 WeakPolarHBondContact O-CB 3.39Å; Y137-T140 PolarHBondContact O-N 3.28Å; I138-T140 VanDerWaalsContact C-N 3.27Å; I138-T140 PolarHBondContact O-N 3.31Å
141I96.7Very high97.3Very high57 Ų5748.7 Ų48.729%0.29224%0.243SC..Hα-helixtrans-85-25.7-176.666.6178.1000113.4N89 Y137 I138N89-I141 HydrophobicContact CB-CG2 4.45Å; Y137-I141 HydrophobicContact CD2-CG2 4Å; Y137-I141 HydrophobicContact CE1-CD1 3.99Å; Y137-I141 HydrophobicContact CE2-CD1 4.21Å; Y137-I141 HydrophobicContact CE2-CG2 3.6Å; Y137-I141 WeakPolarHBondContact O-CG1 3.44Å; Y137-I141 PolarHBondContact O-N 3.42Å; I138-I141 WeakPolarHBondContact O-CG1 3.44Å; I138-I141 PolarHBondContact O-N 2.97Å
142L97.7Very high97.2Very high35 Ų3546.3 Ų46.318%0.18323%0.232CC..SBendtrans-72.1129.2176.1-78.3175.6000111.3I138 T146 K147 F150I138-L142 HydrophobicContact CG2-CD1 3.72Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CB 3.45Å; I138-L142 WeakPolarHBondContact O-CG 3.44Å; I138-L142 PolarHBondContact O-N 3.13Å; L142-T146 HydrophobicContact CD2-CG2 4.34Å; L142-K147 HydrophobicContact CB-CB 4.05Å; L142-K147 HydrophobicContact CB-CG 4.47Å; L142-K147 VanDerWaalsContact O-CE 3.23Å; L142-K147 WeakPolarHBondContact O-CE 3.5Å; L142-F150 HydrophobicContact CD1-CD2 4.22Å; L142-F150 HydrophobicContact CD2-CD2 4.46Å; L142-F150 HydrophobicContact CD2-CE2 4.27Å
143P98.5Very high97.1Very high4 Ų441.7 Ų41.73%0.02621%0.212CC..  trans-73158.7176.436.1-38.4000111L145 T146 K147 Y216 E423 A427P143-L145 PolarHBondContact O-N 3.14Å; P143-T146 PolarHBondContact O-N 3.39Å; P143-K147 VanDerWaalsContact O-CB 3.25Å; P143-K147 WeakPolarHBondContact O-CB 3.34Å; P143-K147 PolarHBondContact O-N 3.38Å; P143-Y216 HydrophobicContact CB-CD1 4.36Å; P143-Y216 HydrophobicContact CB-CE1 4.06Å; P143-E423 VanDerWaalsContact CB-CD 3.42Å; P143-E423 HydrophobicContact CB-CG 3.65Å; P143-E423 HydrophobicContact CG-CG 3.77Å; P143-E423 WeakPolarHBondContact CG-OE2 3.48Å; P143-A427 HydrophobicContact CB-CB 4.08Å; P143-A427 HydrophobicContact CG-CB 3.81Å
144P98.5Very high97Very high27 Ų2748.8 Ų48.818%0.17524%0.237CC..Hα-helixtrans-58.8-46.6-162.719.5-31.8000115A148 E212 E423P144-A148 WeakPolarHBondContact O-CB 3.48Å; P144-A148 PolarHBondContact O-N 2.9Å; P144-E212 HydrophobicContact CB-CB 3.94Å; P144-E212 VanDerWaalsContact CB-OE2 3.26Å; P144-E212 WeakPolarHBondContact CB-OE2 3.4Å; P144-E212 HydrophobicContact CG-CB 3.72Å; P144-E423 WeakPolarHBondContact CD-OE1 3.46Å; P144-E423 VanDerWaalsContact CG-OE1 3.3Å; P144-E423 WeakPolarHBondContact CG-OE1 3.5Å
145L98.6Very high96.8Very high0 Ų054.2 Ų54.20%026%0.262CS..Hα-helixtrans-70.3-44.8-177.6175.4157.2000111.4P143 K147 A148 L149 P209 H210 A213 M228 V419 A420 E423P143-L145 PolarHBondContact O-N 3.14Å; L145-K147 VanDerWaalsContact C-N 3.3Å; L145-K147 PolarHBondContact O-N 3.08Å; L145-A148 PolarHBondContact O-N 3.3Å; L145-L149 WeakPolarHBondContact O-CB 3.42Å; L145-L149 PolarHBondContact O-N 2.99Å; L145-P209 HydrophobicContact CB-CB 4.18Å; L145-H210 HydrophobicContact CD1-CB 4.31Å; L145-H210 VanDerWaalsContact CD1-CD2 3.42Å; L145-H210 WeakPolarHBondContact CD1-CD2 2.94Å; L145-A213 HydrophobicContact CB-CB 3.9Å; L145-A213 HydrophobicContact CD1-CB 4.22Å; L145-M228 HydrophobicContact CD1-CE 4.39Å; L145-V419 HydrophobicContact CD1-CG1 3.73Å; L145-V419 HydrophobicContact CD2-CG1 4.21Å; L145-A420 HydrophobicContact CD2-CB 4.05Å; L145-E423 WeakPolarHBondContact CB-OE2 3.44Å; L145-E423 PolarHBondContact N-OE1 3.37Å; L145-E423 PolarHBondContact N-OE2 3.42Å
146T98.5Very high96.1Very high2 Ų252.9 Ų52.91%0.01226%0.264CS..Hα-helixtrans-63.7-38.6179-56.10000111.1L142 P143 L149 F150 A420 E423 T424L142-T146 HydrophobicContact CD2-CG2 4.34Å; P143-T146 PolarHBondContact O-N 3.39Å; T146-L149 PolarHBondContact O-N 3.29Å; T146-F150 HydrophobicContact CG2-CD1 4.27Å; T146-F150 HydrophobicContact CG2-CD2 4.42Å; T146-F150 HydrophobicContact CG2-CE1 3.89Å; T146-F150 HydrophobicContact CG2-CE2 4.06Å; T146-F150 HydrophobicContact CG2-CZ 3.78Å; T146-F150 WeakPolarHBondContact O-CB 3.43Å; T146-F150 WeakPolarHBondContact O-CG 3.22Å; T146-F150 PolarHBondContact O-N 2.97Å; T146-A420 HydrophobicContact CG2-CB 4.44Å; T146-A420 PolarHBondContact OG1-O 3.08Å; T146-E423 WeakPolarHBondContact CB-OE2 3.31Å; T146-E423 PolarHBondContact N-OE2 2.95Å; T146-E423 PolarHBondContact OG1-OE2 2.83Å; T146-T424 PolarHBondContact OG1-OG1 2.76Å
147K98Very high95.4Very high69 Ų6956.9 Ų56.930%0.328%0.28SS..Hα-helixtrans-60.8-47.7172.6-174.6-170.9-58.31730111.7N139 L142 P143 L145 F150 K151N139-K147 WeakPolarHBondContact O-CE 3.46Å; N139-K147 PolarHBondContact O-NZ 3.16Å; L142-K147 HydrophobicContact CB-CB 4.05Å; L142-K147 HydrophobicContact CB-CG 4.47Å; L142-K147 VanDerWaalsContact O-CE 3.23Å; L142-K147 WeakPolarHBondContact O-CE 3.5Å; P143-K147 VanDerWaalsContact O-CB 3.25Å; P143-K147 WeakPolarHBondContact O-CB 3.34Å; P143-K147 PolarHBondContact O-N 3.38Å; L145-K147 VanDerWaalsContact C-N 3.3Å; L145-K147 PolarHBondContact O-N 3.08Å; K147-F150 PolarHBondContact O-N 2.95Å; K147-K151 WeakPolarHBondContact O-CB 3.41Å; K147-K151 PolarHBondContact O-N 3.36Å
148A97.9Very high94.4Very high24 Ų2461 Ų6120%0.19830%0.296CS..Hα-helixtrans-62.2-43.1177.400000111.6P144 L145 K151 Y152 L200 P209P144-A148 WeakPolarHBondContact O-CB 3.48Å; P144-A148 PolarHBondContact O-N 2.9Å; L145-A148 PolarHBondContact O-N 3.3Å; A148-K151 WeakPolarHBondContact O-CB 3.25Å; A148-K151 PolarHBondContact O-N 3.09Å; A148-Y152 WeakPolarHBondContact O-CB 3.29Å; A148-Y152 PolarHBondContact O-N 3.47Å; A148-L200 HydrophobicContact CB-CD1 3.99Å; A148-L200 HydrophobicContact CB-CG 4.25Å; A148-P209 HydrophobicContact CB-CB 4.4Å; A148-P209 HydrophobicContact CB-CG 4.2Å
149L97.7Very high93.6Very high2 Ų263.7 Ų63.71%0.0131%0.314CS..Hα-helixtrans-61.1-48176.3-17962.4000111.8L145 T146 K151 Y152 V153 I193 L200 A420L145-L149 WeakPolarHBondContact O-CB 3.42Å; L145-L149 PolarHBondContact O-N 2.99Å; T146-L149 PolarHBondContact O-N 3.29Å; L149-K151 VanDerWaalsContact C-N 3.31Å; L149-K151 PolarHBondContact O-N 2.9Å; L149-Y152 WeakPolarHBondContact O-CB 3.34Å; L149-Y152 PolarHBondContact O-N 2.71Å; L149-V153 HydrophobicContact CD1-CG2 4.49Å; L149-V153 VanDerWaalsContact O-CG2 3.31Å; L149-V153 WeakPolarHBondContact O-CG2 3.39Å; L149-V153 PolarHBondContact O-N 3.16Å; L149-I193 HydrophobicContact CD1-CD1 3.75Å; L149-I193 HydrophobicContact CD1-CG1 4.28Å; L149-L200 HydrophobicContact CB-CD2 4.12Å; L149-L200 HydrophobicContact CD1-CD2 3.92Å; L149-A420 HydrophobicContact CD2-CB 3.75Å
150F97.5Very high93Very high91 Ų9169.5 Ų69.540%0.39934%0.337SS..Hα-helixtrans-65.5-36.6178.8-74.46.6000112L142 T146 K147 V153 R154L142-F150 HydrophobicContact CD1-CD2 4.22Å; L142-F150 HydrophobicContact CD2-CD2 4.46Å; L142-F150 HydrophobicContact CD2-CE2 4.27Å; T146-F150 HydrophobicContact CG2-CD1 4.27Å; T146-F150 HydrophobicContact CG2-CD2 4.42Å; T146-F150 HydrophobicContact CG2-CE1 3.89Å; T146-F150 HydrophobicContact CG2-CE2 4.06Å; T146-F150 HydrophobicContact CG2-CZ 3.78Å; T146-F150 WeakPolarHBondContact O-CB 3.43Å; T146-F150 WeakPolarHBondContact O-CG 3.22Å; T146-F150 PolarHBondContact O-N 2.97Å; K147-F150 PolarHBondContact O-N 2.95Å; F150-V153 PolarHBondContact O-N 3.22Å; F150-R154 WeakPolarHBondContact O-CG 3.23Å; F150-R154 PolarHBondContact O-N 2.82Å; F150-R154 PolarHBondContact O-NH1 2.74Å
151K96.3Very high92.6Very high114 Ų11466.8 Ų66.850%0.49632%0.32SS..Hα-helixtrans-61.3-49.2172.6-175.2-178.9177.8-179.40110.8K147 A148 L149 V153 R154 E155K147-K151 WeakPolarHBondContact O-CB 3.41Å; K147-K151 PolarHBondContact O-N 3.36Å; A148-K151 WeakPolarHBondContact O-CB 3.25Å; A148-K151 PolarHBondContact O-N 3.09Å; L149-K151 VanDerWaalsContact C-N 3.31Å; L149-K151 PolarHBondContact O-N 2.9Å; K151-V153 PolarHBondContact O-N 3.46Å; K151-R154 PolarHBondContact O-N 2.74Å; K151-R154 VanDerWaalsContact O-N 3.16Å; K151-E155 WeakPolarHBondContact CE-OE2 3.43Å; K151-E155 WeakPolarHBondContact CG-OE2 3.29Å; K151-E155 WeakPolarHBondContact O-CB 3.49Å; K151-E155 PolarHBondContact O-N 3.32Å
152Y95.3Very high92.3Very high29 Ų2968.3 Ų68.311%0.11433%0.332CS..Hα-helixtrans-57.5-45.9176.2172.7-98.8000112.2A148 L149 R154 E155 G156 Y158 I193 V197 E199A148-Y152 WeakPolarHBondContact O-CB 3.29Å; A148-Y152 PolarHBondContact O-N 3.47Å; L149-Y152 WeakPolarHBondContact O-CB 3.34Å; L149-Y152 PolarHBondContact O-N 2.71Å; Y152-R154 PolarHBondContact O-N 3.09Å; Y152-E155 PolarHBondContact O-N 3.03Å; Y152-G156 VanDerWaalsContact O-CA 3.22Å; Y152-G156 WeakPolarHBondContact O-CA 3.48Å; Y152-G156 PolarHBondContact O-N 3.33Å; Y152-Y158 HydrophobicContact CD2-CD2 4.48Å; Y152-Y158 HydrophobicContact CD2-CE2 4.47Å; Y152-Y158 AromaticContact CE2-CD2 3.43Å; Y152-Y158 HydrophobicContact CE2-CD2 3.43Å; Y152-Y158 VanDerWaalsContact CE2-CD2 3.43Å; Y152-Y158 AromaticContact CE2-CE2 3.8Å; Y152-Y158 HydrophobicContact CE2-CE2 3.8Å; Y152-Y158 AromaticContact CZ-CD2 3.93Å; Y152-I193 HydrophobicContact CD1-CD1 4.32Å; Y152-I193 HydrophobicContact CD1-CG2 4.17Å; Y152-I193 HydrophobicContact CE1-CG2 3.54Å; Y152-V197 HydrophobicContact CD1-CG1 4.34Å; Y152-V197 HydrophobicContact CD2-CG1 3.61Å; Y152-V197 HydrophobicContact CE1-CG1 4.48Å; Y152-V197 HydrophobicContact CE1-CG2 4.03Å; Y152-V197 HydrophobicContact CE2-CG1 3.78Å; Y152-V197 HydrophobicContact CE2-CG2 3.97Å; Y152-V197 HydrophobicContact CG-CG1 3.91Å; Y152-E199 VanDerWaalsContact CD2-OE1 3.25Å; Y152-E199 WeakPolarHBondContact CD2-OE1 3.28Å
153V95.7Very high92.2Very high21 Ų2168.1 Ų68.113%0.12733%0.333CS..Hα-helixtrans-60.5-32.2179.4168.40000112.5L149 F150 K151 K190L149-V153 HydrophobicContact CD1-CG2 4.49Å; L149-V153 VanDerWaalsContact O-CG2 3.31Å; L149-V153 WeakPolarHBondContact O-CG2 3.39Å; L149-V153 PolarHBondContact O-N 3.16Å; F150-V153 PolarHBondContact O-N 3.22Å; K151-V153 PolarHBondContact O-N 3.46Å; V153-K190 HydrophobicContact CG1-CB 3.84Å; V153-K190 HydrophobicContact CG1-CD 4.25Å; V153-K190 HydrophobicContact CG2-CB 4.28Å
154R94.4Very high92.1Very high161 Ų16171 Ų7161%0.60836%0.364SS*.Hα-helixtrans-82.5-37.7178.1-69.9-172.2-59.5-96.10.2113.6F150 K151 Y152F150-R154 WeakPolarHBondContact O-CG 3.23Å; F150-R154 PolarHBondContact O-N 2.82Å; F150-R154 PolarHBondContact O-NH1 2.74Å; K151-R154 PolarHBondContact O-N 2.74Å; K151-R154 VanDerWaalsContact O-N 3.16Å; Y152-R154 PolarHBondContact O-N 3.09Å
155E93.4Very high92Very high115 Ų11570.9 Ų70.954%0.53736%0.361SS..Hα-helixtrans-111.9-24.4-167-64.6171.8-16200114.1K151 Y152K151-E155 WeakPolarHBondContact CE-OE2 3.43Å; K151-E155 WeakPolarHBondContact CG-OE2 3.29Å; K151-E155 WeakPolarHBondContact O-CB 3.49Å; K151-E155 PolarHBondContact O-N 3.32Å; Y152-E155 PolarHBondContact O-N 3.03Å
156G80.7Confident91.8Very high35 Ų3574.7 Ų74.736%0.36138%0.38SS..  trans-65.3144.9-170.300000113.7Y152Y152-G156 VanDerWaalsContact O-CA 3.22Å; Y152-G156 WeakPolarHBondContact O-CA 3.48Å; Y152-G156 PolarHBondContact O-N 3.33Å
157K83.1Confident91.6Very high186 Ų18675.7 Ų75.781%0.80939%0.391SS*.  trans-135.619.4-174.6-64.5-178-178176.90113.8T159K157-T159 PolarHBondContact O-N 3.29Å
158Y75.5Confident91.5Very high104 Ų10472.4 Ų72.441%0.40838%0.376SS..  trans-60.9140.5178.2-69.1-68.9000110.8Y152 V197 E199Y152-Y158 HydrophobicContact CD2-CD2 4.48Å; Y152-Y158 HydrophobicContact CD2-CE2 4.47Å; Y152-Y158 AromaticContact CE2-CD2 3.43Å; Y152-Y158 HydrophobicContact CE2-CD2 3.43Å; Y152-Y158 VanDerWaalsContact CE2-CD2 3.43Å; Y152-Y158 AromaticContact CE2-CE2 3.8Å; Y152-Y158 HydrophobicContact CE2-CE2 3.8Å; Y152-Y158 AromaticContact CZ-CD2 3.93Å; Y158-V197 HydrophobicContact CD2-CG1 4.47Å; Y158-V197 HydrophobicContact CD2-CG2 4Å; Y158-V197 HydrophobicContact CE2-CB 4.31Å; Y158-V197 HydrophobicContact CE2-CG1 4.05Å; Y158-V197 HydrophobicContact CE2-CG2 4.29Å; Y158-E199 WeakPolarHBondContact CE2-OE1 3.03Å; Y158-E199 VanDerWaalsContact CE2-OE2 3.3Å; Y158-E199 WeakPolarHBondContact CE2-OE2 3.41Å; Y158-E199 PolarHBondContact OH-OE2 2.95Å
159T78.2Confident91.4Very high103 Ų10374.9 Ų74.963%0.63239%0.389SS*.  trans-132.2163.7174.2520000108K157 C161K157-T159 PolarHBondContact O-N 3.29Å; T159-C161 VanDerWaalsContact C-N 3.25Å; T159-C161 PolarHBondContact O-N 2.92Å
160F85.7Confident91.4Very high197 Ų19777.3 Ų77.386%0.86441%0.409SS*.SBendtrans5931.8-176.3-65.6-92.6000114.4
161C86.6Confident91.4Very high26 Ų2676.1 Ų76.118%0.17640%0.404CS..  trans-111.2158.8178.559.90000112.4T159T159-C161 VanDerWaalsContact C-N 3.25Å; T159-C161 PolarHBondContact O-N 2.92Å
162T90.9Very high91.5Very high89 Ų8975.4 Ų75.455%0.54640%0.402SS..SBendtrans-80149.4160.750.80000110S194T162-S194 WeakPolarHBondContact O-CB 3.32Å; T162-S194 PolarHBondContact O-OG 3.27Å; T162-S194 PolarHBondContact OG1-OG 3.47Å
163P95.6Very high91.6Very high31 Ų3182.1 Ų82.120%0.20143%0.432CS..SBendcis-70.6153.61.6-19.833.4000114.6H165 M166 D192P163-H165 VanDerWaalsContact CB-NE2 3.34Å; P163-H165 WeakPolarHBondContact CB-NE2 3.47Å; P163-H165 PolarHBondContact O-N 3.37Å; P163-M166 PolarHBondContact O-N 2.9Å; P163-D192 WeakPolarHBondContact CD-O 3.44Å
164G95.9Very high91.7Very high65 Ų6583.5 Ų83.567%0.6744%0.443SS*.THydrogen-bonded Turntrans-63.7-13.5-173.600000115.7M166G164-M166 VanDerWaalsContact C-N 3.3Å
165H96.8Very high91.9Very high24 Ų2481.1 Ų81.111%0.11145%0.448CS..THydrogen-bonded Turntrans-78.4-13.3173.166.881.2000113.5P163 G168 T169 A170 F171 M189 D192P163-H165 VanDerWaalsContact CB-NE2 3.34Å; P163-H165 WeakPolarHBondContact CB-NE2 3.47Å; P163-H165 PolarHBondContact O-N 3.37Å; H165-G168 PolarHBondContact ND1-N 3.05Å; H165-G168 VanDerWaalsContact ND1-N 3.11Å; H165-G168 CarbonylContact O-C 3.47Å; H165-G168 WeakPolarHBondContact O-CA 3.36Å; H165-G168 PolarHBondContact O-N 3.27Å; H165-T169 PolarHBondContact O-N 2.95Å; H165-A170 HydrophobicContact CB-CB 4.16Å; H165-A170 PolarHBondContact O-N 3.2Å; H165-A170 VanDerWaalsContact O-N 3.12Å; H165-F171 HydrophobicContact CB-CD2 4.02Å; H165-F171 HydrophobicContact CB-CE2 3.81Å; H165-F171 AromaticContact CG-CE2 3.88Å; H165-M189 PolarHBondContact CE1-O 3.26Å; H165-D192 IonicContact CE1-OD2 2.8Å; H165-D192 IonicContact NE2-OD2 3.77Å; H165-D192 PolarHBondContact NE2-OD2 2.95Å
166M95.1Very high92.1Very high81 Ų8180.7 Ų80.740%0.39945%0.453SS..THydrogen-bonded Turntrans4767.2174.6-62.8-173.1178.800113.2P163 G164 G168 T169P163-M166 PolarHBondContact O-N 2.9Å; G164-M166 VanDerWaalsContact C-N 3.3Å; M166-G168 PolarHBondContact O-N 3.23Å; M166-T169 WeakPolarHBondContact O-CB 3.44Å; M166-T169 PolarHBondContact O-N 2.73Å; M166-T169 PolarHBondContact O-OG1 3.18Å
167G93.9Very high92.9Very high23 Ų2379.3 Ų79.324%0.23744%0.439CS..THydrogen-bonded Turntrans70.713.4-179.400000114.3M189G167-M189 WeakPolarHBondContact CA-O 3.34Å; G167-M189 WeakPolarHBondContact O-CB 3.22Å
168G95.7Very high93.6Very high0 Ų072.3 Ų72.30%041%0.414CS..THydrogen-bonded Turntrans98.80.5178.100000114.3H165 M166 A170 F171 Q172H165-G168 PolarHBondContact ND1-N 3.05Å; H165-G168 VanDerWaalsContact ND1-N 3.11Å; H165-G168 CarbonylContact O-C 3.47Å; H165-G168 WeakPolarHBondContact O-CA 3.36Å; H165-G168 PolarHBondContact O-N 3.27Å; M166-G168 PolarHBondContact O-N 3.23Å; G168-A170 VanDerWaalsContact C-N 3.27Å; G168-A170 PolarHBondContact O-N 3.12Å; G168-F171 WeakPolarHBondContact O-CB 3.36Å; G168-F171 PolarHBondContact O-N 2.76Å; G168-F171 VanDerWaalsContact O-N 3.12Å; G168-Q172 PolarHBondContact O-N 3.14Å
169T96.2Very high94.7Very high76 Ų7673.1 Ų73.147%0.46642%0.424SS..THydrogen-bonded Turntrans-50.1-42.5175.1-53.50000113.2H165 M166 Q172H165-T169 PolarHBondContact O-N 2.95Å; M166-T169 WeakPolarHBondContact O-CB 3.44Å; M166-T169 PolarHBondContact O-N 2.73Å; M166-T169 PolarHBondContact O-OG1 3.18Å; T169-Q172 PolarHBondContact O-N 2.89Å
170A97.6Very high95.7Very high52 Ų5272.7 Ų72.743%0.4341%0.414SS..THydrogen-bonded Turntrans-69.5-36.9-179.200000112.8H165 G168 Q172 K173H165-A170 HydrophobicContact CB-CB 4.16Å; H165-A170 PolarHBondContact O-N 3.2Å; H165-A170 VanDerWaalsContact O-N 3.12Å; G168-A170 VanDerWaalsContact C-N 3.27Å; G168-A170 PolarHBondContact O-N 3.12Å; A170-Q172 PolarHBondContact O-N 3.1Å; A170-K173 WeakPolarHBondContact O-CB 3.47Å; A170-K173 PolarHBondContact O-N 2.89Å
171F97.8Very high96.3Very high67 Ų6764.6 Ų64.629%0.29438%0.378SS..G310 helixtrans-59.4-39.5178-72.7-61.3000111.2H165 G168 K173 S174 G177 S178 F180 M189H165-F171 HydrophobicContact CB-CD2 4.02Å; H165-F171 HydrophobicContact CB-CE2 3.81Å; H165-F171 AromaticContact CG-CE2 3.88Å; G168-F171 WeakPolarHBondContact O-CB 3.36Å; G168-F171 PolarHBondContact O-N 2.76Å; G168-F171 VanDerWaalsContact O-N 3.12Å; F171-K173 PolarHBondContact O-N 3.31Å; F171-K173 VanDerWaalsContact O-N 3.07Å; F171-S174 PolarHBondContact O-N 2.83Å; F171-S174 VanDerWaalsContact O-N 3.13Å; F171-G177 CarbonylContact O-C 3.54Å; F171-G177 WeakPolarHBondContact O-CA 3.37Å; F171-S178 PolarHBondContact O-N 3.26Å; F171-F180 HydrophobicContact CD1-CD1 4.2Å; F171-F180 HydrophobicContact CE1-CD1 4.05Å; F171-F180 HydrophobicContact CE1-CE1 4.29Å; F171-F180 HydrophobicContact CE2-CD1 4.49Å; F171-F180 HydrophobicContact CE2-CE1 4.42Å; F171-F180 HydrophobicContact CG-CD1 4.49Å; F171-F180 HydrophobicContact CZ-CD1 4.22Å; F171-F180 HydrophobicContact CZ-CE1 4.08Å; F171-M189 HydrophobicContact CD2-CE 4.36Å; F171-M189 HydrophobicContact CD2-SD 4.12Å; F171-M189 HydrophobicContact CE2-CE 4.48Å; F171-M189 HydrophobicContact CE2-SD 4.03Å
172Q97.7Very high96.8Very high98 Ų9868.9 Ų68.946%0.45840%0.399SS..G310 helixtrans-66.5-8177.7-62.6178.21.400114.5G168 T169 A170 Y181G168-Q172 PolarHBondContact O-N 3.14Å; T169-Q172 PolarHBondContact O-N 2.89Å; A170-Q172 PolarHBondContact O-N 3.1Å; Q172-Y181 HydrophobicContact CG-CD1 4.32Å; Q172-Y181 HydrophobicContact CG-CD2 4.15Å; Q172-Y181 HydrophobicContact CG-CE2 4.49Å; Q172-Y181 HydrophobicContact CG-CG 4.07Å; Q172-Y181 VanDerWaalsContact NE2-CE1 3.28Å; Q172-Y181 PolarHBondContact NE2-OH 3.4Å
173K97.7Very high97.1Very high170 Ų17072.6 Ų72.674%0.73941%0.408SS*.G310 helixtrans-91.3-1.9175.7-54.5-55.2-179.5-173.90113.5A170 F171A170-K173 WeakPolarHBondContact O-CB 3.47Å; A170-K173 PolarHBondContact O-N 2.89Å; F171-K173 PolarHBondContact O-N 3.31Å; F171-K173 VanDerWaalsContact O-N 3.07Å
174S97.8Very high97.2Very high50 Ų5075.6 Ų75.635%0.3542%0.418SS..SBendtrans-122.4136.6178.3174.30000110.4F171 V176 G177 S178F171-S174 PolarHBondContact O-N 2.83Å; F171-S174 VanDerWaalsContact O-N 3.13Å; S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 PolarHBondContact O-N 3.26Å; S174-V176 WeakPolarHBondContact OG-CG1 3.49Å; S174-G177 CarbonylContact O-C 3.58Å; S174-G177 WeakPolarHBondContact O-CA 3.29Å; S174-G177 PolarHBondContact O-N 3.34Å; S174-S178 PolarHBondContact O-N 3.08Å
175P97.8Very high97.2Very high111 Ų11173.3 Ų73.372%0.72140%0.395SS*.Hα-helixtrans-57.4-39.4177.3-26.334.8000114.1S178P175-S178 PolarHBondContact O-OG 2.73Å
176V98.3Very high97.2Very high107 Ų10774.5 Ų74.565%0.64840%0.404SS*.Hα-helixtrans-76-30.7174.5660000111.5S174 L179 F180S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 PolarHBondContact O-N 3.26Å; S174-V176 WeakPolarHBondContact OG-CG1 3.49Å; V176-L179 PolarHBondContact O-N 3.45Å; V176-F180 PolarHBondContact O-N 3.23Å; V176-F180 VanDerWaalsContact O-N 3.15Å
177G98.1Very high97.3Very high6 Ų675.2 Ų75.26%0.06241%0.41CS..Hα-helixtrans-69-34.8177.400000112.9F171 S174 F180 Y181F171-G177 CarbonylContact O-C 3.54Å; F171-G177 WeakPolarHBondContact O-CA 3.37Å; S174-G177 CarbonylContact O-C 3.58Å; S174-G177 WeakPolarHBondContact O-CA 3.29Å; S174-G177 PolarHBondContact O-N 3.34Å; G177-F180 WeakPolarHBondContact O-CB 3.32Å; G177-F180 PolarHBondContact O-N 3.22Å; G177-Y181 WeakPolarHBondContact O-CB 3.37Å; G177-Y181 PolarHBondContact O-N 2.75Å
178S97.5Very high97.5Very high39 Ų3977.1 Ų77.127%0.27342%0.417SS..Hα-helixtrans-65.6-40.6175.362.70000111.4F171 S174 P175 F180 Y181 D182F171-S178 PolarHBondContact O-N 3.26Å; S174-S178 PolarHBondContact O-N 3.08Å; P175-S178 PolarHBondContact O-OG 2.73Å; S178-F180 VanDerWaalsContact C-N 3.31Å; S178-F180 PolarHBondContact O-N 3.43Å; S178-Y181 PolarHBondContact O-N 3.31Å; S178-D182 WeakPolarHBondContact O-CB 3.43Å; S178-D182 VanDerWaalsContact O-CG 3.23Å; S178-D182 PolarHBondContact O-N 3.43Å
179L98.4Very high97.5Very high121 Ų12177.6 Ų77.663%0.63442%0.419SS*.Hα-helixtrans-60.6-41.3173.1-63.6176.5000111.7V176 D182 F183V176-L179 PolarHBondContact O-N 3.45Å; L179-D182 PolarHBondContact O-N 2.92Å; L179-F183 VanDerWaalsContact O-CB 3.3Å; L179-F183 WeakPolarHBondContact O-CB 3.38Å; L179-F183 PolarHBondContact O-N 3.39Å
180F98.3Very high97.6Very high94 Ų9478.4 Ų78.441%0.41242%0.416SS..Hα-helixtrans-64.5-43.4175.6-171.7-90.1000112F171 V176 G177 S178 F183 F184 M189F171-F180 HydrophobicContact CD1-CD1 4.2Å; F171-F180 HydrophobicContact CE1-CD1 4.05Å; F171-F180 HydrophobicContact CE1-CE1 4.29Å; F171-F180 HydrophobicContact CE2-CD1 4.49Å; F171-F180 HydrophobicContact CE2-CE1 4.42Å; F171-F180 HydrophobicContact CG-CD1 4.49Å; F171-F180 HydrophobicContact CZ-CD1 4.22Å; F171-F180 HydrophobicContact CZ-CE1 4.08Å; V176-F180 PolarHBondContact O-N 3.23Å; V176-F180 VanDerWaalsContact O-N 3.15Å; G177-F180 WeakPolarHBondContact O-CB 3.32Å; G177-F180 PolarHBondContact O-N 3.22Å; S178-F180 VanDerWaalsContact C-N 3.31Å; S178-F180 PolarHBondContact O-N 3.43Å; F180-F183 PolarHBondContact O-N 3.38Å; F180-F184 HydrophobicContact CD1-CD2 4.04Å; F180-F184 HydrophobicContact CD1-CE2 4.43Å; F180-F184 HydrophobicContact CD2-CD2 4.27Å; F180-F184 AromaticContact CD2-CE2 3.99Å; F180-F184 HydrophobicContact CD2-CE2 3.99Å; F180-F184 AromaticContact CE1-CD2 3.7Å; F180-F184 HydrophobicContact CE1-CD2 3.7Å; F180-F184 AromaticContact CE1-CE2 3.87Å; F180-F184 HydrophobicContact CE1-CE2 3.87Å; F180-F184 AromaticContact CE2-CD2 3.97Å; F180-F184 HydrophobicContact CE2-CD2 3.97Å; F180-F184 AromaticContact CE2-CE2 3.38Å; F180-F184 HydrophobicContact CE2-CE2 3.38Å; F180-F184 HydrophobicContact CE2-CZ 4.39Å; F180-F184 HydrophobicContact CG-CD2 4.31Å; F180-F184 HydrophobicContact CG-CE2 4.48Å; F180-F184 AromaticContact CZ-CD2 3.65Å; F180-F184 HydrophobicContact CZ-CD2 3.65Å; F180-F184 AromaticContact CZ-CE2 3.3Å; F180-F184 HydrophobicContact CZ-CE2 3.3Å; F180-F184 HydrophobicContact CZ-CZ 4.21Å; F180-F184 WeakPolarHBondContact O-CD2 3.48Å; F180-F184 PolarHBondContact O-N 3.21Å; F180-M189 HydrophobicContact CD1-CE 3.52Å; F180-M189 HydrophobicContact CE1-CE 3.57Å
181Y98.1Very high97.5Very high26 Ų2676.9 Ų76.910%0.10240%0.403CS..Hα-helixtrans-60.5-47.1175.4-179.7-84.5000111.7Q172 G177 S178 F183 F184 G185 P186 M189Q172-Y181 HydrophobicContact CG-CD1 4.32Å; Q172-Y181 HydrophobicContact CG-CD2 4.15Å; Q172-Y181 HydrophobicContact CG-CE2 4.49Å; Q172-Y181 HydrophobicContact CG-CG 4.07Å; Q172-Y181 VanDerWaalsContact NE2-CE1 3.28Å; Q172-Y181 PolarHBondContact NE2-OH 3.4Å; G177-Y181 WeakPolarHBondContact O-CB 3.37Å; G177-Y181 PolarHBondContact O-N 2.75Å; S178-Y181 PolarHBondContact O-N 3.31Å; Y181-F183 VanDerWaalsContact C-N 3.32Å; Y181-F183 PolarHBondContact O-N 3.3Å; Y181-F184 PolarHBondContact O-N 3.3Å; Y181-G185 WeakPolarHBondContact O-CA 3.49Å; Y181-G185 PolarHBondContact O-N 2.77Å; Y181-P186 HydrophobicContact CE1-CG 4.12Å; Y181-P186 WeakPolarHBondContact OH-CA 3.18Å; Y181-P186 VanDerWaalsContact OH-CB 3.27Å; Y181-P186 WeakPolarHBondContact OH-CB 3.48Å; Y181-P186 WeakPolarHBondContact OH-CG 3.46Å; Y181-M189 HydrophobicContact CD2-CB 4.34Å; Y181-M189 HydrophobicContact CD2-CG 3.69Å; Y181-M189 HydrophobicContact CE2-CB 4.11Å; Y181-M189 HydrophobicContact CE2-CG 3.88Å
182D97.7Very high97.5Very high116 Ų11676 Ų7662%0.6240%0.401SS*.Hα-helixtrans-67.7-34.3-179.1-67.7-23.4000111.7S178 L179S178-D182 WeakPolarHBondContact O-CB 3.43Å; S178-D182 VanDerWaalsContact O-CG 3.23Å; S178-D182 PolarHBondContact O-N 3.43Å; L179-D182 PolarHBondContact O-N 2.92Å
183F97.7Very high97.5Very high167 Ų16771.9 Ų71.973%0.73238%0.382SS*.Hα-helixtrans-63.5-48176.5-177.4-92.7000112.6L179 F180 Y181L179-F183 VanDerWaalsContact O-CB 3.3Å; L179-F183 WeakPolarHBondContact O-CB 3.38Å; L179-F183 PolarHBondContact O-N 3.39Å; F180-F183 PolarHBondContact O-N 3.38Å; Y181-F183 VanDerWaalsContact C-N 3.32Å; Y181-F183 PolarHBondContact O-N 3.3Å
184F97.3Very high97.4Very high94 Ų9464.3 Ų64.341%0.41235%0.35SS..Hα-helixtrans-85.6-23.1-178.7-79.7-77.3000113.8F180 Y181 T188 M189F180-F184 HydrophobicContact CD1-CD2 4.04Å; F180-F184 HydrophobicContact CD1-CE2 4.43Å; F180-F184 HydrophobicContact CD2-CD2 4.27Å; F180-F184 AromaticContact CD2-CE2 3.99Å; F180-F184 HydrophobicContact CD2-CE2 3.99Å; F180-F184 AromaticContact CE1-CD2 3.7Å; F180-F184 HydrophobicContact CE1-CD2 3.7Å; F180-F184 AromaticContact CE1-CE2 3.87Å; F180-F184 HydrophobicContact CE1-CE2 3.87Å; F180-F184 AromaticContact CE2-CD2 3.97Å; F180-F184 HydrophobicContact CE2-CD2 3.97Å; F180-F184 AromaticContact CE2-CE2 3.38Å; F180-F184 HydrophobicContact CE2-CE2 3.38Å; F180-F184 HydrophobicContact CE2-CZ 4.39Å; F180-F184 HydrophobicContact CG-CD2 4.31Å; F180-F184 HydrophobicContact CG-CE2 4.48Å; F180-F184 AromaticContact CZ-CD2 3.65Å; F180-F184 HydrophobicContact CZ-CD2 3.65Å; F180-F184 AromaticContact CZ-CE2 3.3Å; F180-F184 HydrophobicContact CZ-CE2 3.3Å; F180-F184 HydrophobicContact CZ-CZ 4.21Å; F180-F184 WeakPolarHBondContact O-CD2 3.48Å; F180-F184 PolarHBondContact O-N 3.21Å; Y181-F184 PolarHBondContact O-N 3.3Å; F184-T188 HydrophobicContact CB-CG2 4.13Å; F184-T188 HydrophobicContact CD1-CG2 4.04Å; F184-T188 HydrophobicContact CG-CG2 4.4Å; F184-T188 PolarHBondContact O-OG1 2.92Å; F184-M189 HydrophobicContact CB-CE 3.6Å; F184-M189 HydrophobicContact CD2-CE 4.1Å; F184-M189 HydrophobicContact CG-CE 4.16Å
185G96.5Very high97.3Very high18 Ų1866.5 Ų66.519%0.18636%0.357CS..  trans77.4166.6-178.200000114.9Y181 N187Y181-G185 WeakPolarHBondContact O-CA 3.49Å; Y181-G185 PolarHBondContact O-N 2.77Å; G185-N187 PolarHBondContact O-N 3.03Å
186P96.5Very high97Very high48 Ų4863.8 Ų63.831%0.31234%0.341SS..Hα-helixtrans-62-40.3-171.4-25.334.5000115Y181 T188 M189 K190Y181-P186 HydrophobicContact CE1-CG 4.12Å; Y181-P186 WeakPolarHBondContact OH-CA 3.18Å; Y181-P186 VanDerWaalsContact OH-CB 3.27Å; Y181-P186 WeakPolarHBondContact OH-CB 3.48Å; Y181-P186 WeakPolarHBondContact OH-CG 3.46Å; P186-T188 VanDerWaalsContact C-N 3.34Å; P186-T188 PolarHBondContact O-N 3.38Å; P186-M189 PolarHBondContact O-N 3.44Å; P186-K190 WeakPolarHBondContact O-CB 3.43Å; P186-K190 VanDerWaalsContact O-CG 3.28Å; P186-K190 WeakPolarHBondContact O-CG 3.38Å; P186-K190 PolarHBondContact O-N 3.45Å
187N96.9Very high96.8Very high97 Ų9758.8 Ų58.852%0.51931%0.311SS..Hα-helixtrans-68.6-35.5-172.6-69.1-24000112G185 M189 K190 S191G185-N187 PolarHBondContact O-N 3.03Å; N187-M189 VanDerWaalsContact C-N 3.33Å; N187-M189 PolarHBondContact O-N 3.11Å; N187-K190 PolarHBondContact O-N 3.02Å; N187-S191 VanDerWaalsContact O-CB 3.29Å; N187-S191 WeakPolarHBondContact O-CB 3.42Å; N187-S191 PolarHBondContact O-N 2.79Å; N187-S191 PolarHBondContact O-OG 3.4Å
188T97.5Very high96.6Very high62 Ų6262.7 Ų62.738%0.3834%0.337SS..Hα-helixtrans-59.1-48.3173.8-51.50000109.8F184 P186 S191 D192F184-T188 HydrophobicContact CB-CG2 4.13Å; F184-T188 HydrophobicContact CD1-CG2 4.04Å; F184-T188 HydrophobicContact CG-CG2 4.4Å; F184-T188 PolarHBondContact O-OG1 2.92Å; P186-T188 VanDerWaalsContact C-N 3.34Å; P186-T188 PolarHBondContact O-N 3.38Å; T188-S191 PolarHBondContact O-N 2.87Å; T188-S191 PolarHBondContact O-OG 2.84Å; T188-S191 VanDerWaalsContact O-OG 3.11Å; T188-D192 PolarHBondContact O-N 3.12Å
189M96.8Very high96.5Very high10 Ų1064.9 Ų64.95%0.04934%0.343CS..Hα-helixtrans-69.5-38-179.4-54.4-55-177.600113.4H165 G167 F171 F180 Y181 F184 P186 N187 S191 D192H165-M189 PolarHBondContact CE1-O 3.26Å; G167-M189 WeakPolarHBondContact CA-O 3.34Å; G167-M189 WeakPolarHBondContact O-CB 3.22Å; F171-M189 HydrophobicContact CD2-CE 4.36Å; F171-M189 HydrophobicContact CD2-SD 4.12Å; F171-M189 HydrophobicContact CE2-CE 4.48Å; F171-M189 HydrophobicContact CE2-SD 4.03Å; F180-M189 HydrophobicContact CD1-CE 3.52Å; F180-M189 HydrophobicContact CE1-CE 3.57Å; Y181-M189 HydrophobicContact CD2-CB 4.34Å; Y181-M189 HydrophobicContact CD2-CG 3.69Å; Y181-M189 HydrophobicContact CE2-CB 4.11Å; Y181-M189 HydrophobicContact CE2-CG 3.88Å; F184-M189 HydrophobicContact CB-CE 3.6Å; F184-M189 HydrophobicContact CD2-CE 4.1Å; F184-M189 HydrophobicContact CG-CE 4.16Å; P186-M189 PolarHBondContact O-N 3.44Å; N187-M189 VanDerWaalsContact C-N 3.33Å; N187-M189 PolarHBondContact O-N 3.11Å; M189-S191 VanDerWaalsContact C-N 3.34Å; M189-D192 PolarHBondContact O-N 3.05Å
190K96.7Very high96.4Very high93 Ų9359.2 Ų59.240%0.40431%0.313SS..Hα-helixtrans-75-22.7-179.6-71176.2-177.8-176.20113.6V153 P186 N187 I193V153-K190 HydrophobicContact CG1-CB 3.84Å; V153-K190 HydrophobicContact CG1-CD 4.25Å; V153-K190 HydrophobicContact CG2-CB 4.28Å; P186-K190 WeakPolarHBondContact O-CB 3.43Å; P186-K190 VanDerWaalsContact O-CG 3.28Å; P186-K190 WeakPolarHBondContact O-CG 3.38Å; P186-K190 PolarHBondContact O-N 3.45Å; N187-K190 PolarHBondContact O-N 3.02Å; K190-I193 WeakPolarHBondContact O-CG2 3.49Å
191S97.3Very high96.3Very high21 Ų2155.3 Ų55.315%0.14730%0.3CS..Hα-helixtrans-88.8-8.2176.160.30000113.5N187 T188 M189 I193N187-S191 VanDerWaalsContact O-CB 3.29Å; N187-S191 WeakPolarHBondContact O-CB 3.42Å; N187-S191 PolarHBondContact O-N 2.79Å; N187-S191 PolarHBondContact O-OG 3.4Å; T188-S191 PolarHBondContact O-N 2.87Å; T188-S191 PolarHBondContact O-OG 2.84Å; T188-S191 VanDerWaalsContact O-OG 3.11Å; M189-S191 VanDerWaalsContact C-N 3.34Å; S191-I193 PolarHBondContact O-N 2.85Å
192D97.6Very high96.3Very high47 Ų4754.6 Ų54.625%0.25130%0.298SS..  trans-8195.4167.6-170.219.4000109.7P163 H165 T188 M189 H415P163-D192 WeakPolarHBondContact CD-O 3.44Å; H165-D192 IonicContact CE1-OD2 2.8Å; H165-D192 IonicContact NE2-OD2 3.77Å; H165-D192 PolarHBondContact NE2-OD2 2.95Å; T188-D192 PolarHBondContact O-N 3.12Å; M189-D192 PolarHBondContact O-N 3.05Å; D192-H415 IonicContact OD1-CD2 3.9Å
193I96.3Very high96.4Very high12 Ų1249 Ų496%0.06227%0.269CS..  trans-128.8176.8-172.359.7165.4000110.2L149 Y152 K190 S191 V197 L200 Y416L149-I193 HydrophobicContact CD1-CD1 3.75Å; L149-I193 HydrophobicContact CD1-CG1 4.28Å; Y152-I193 HydrophobicContact CD1-CD1 4.32Å; Y152-I193 HydrophobicContact CD1-CG2 4.17Å; Y152-I193 HydrophobicContact CE1-CG2 3.54Å; K190-I193 WeakPolarHBondContact O-CG2 3.49Å; S191-I193 PolarHBondContact O-N 2.85Å; I193-V197 HydrophobicContact CB-CG2 3.98Å; I193-V197 HydrophobicContact CD1-CB 4.01Å; I193-V197 HydrophobicContact CD1-CG1 4.18Å; I193-V197 HydrophobicContact CD1-CG2 3.92Å; I193-V197 HydrophobicContact CG2-CG2 4.27Å; I193-L200 HydrophobicContact CD1-CD2 3.6Å; I193-Y416 HydrophobicContact CD1-CD2 3.46Å; I193-Y416 VanDerWaalsContact CD1-CD2 3.46Å; I193-Y416 HydrophobicContact CD1-CE2 3.69Å; I193-Y416 HydrophobicContact CD1-CG 4.19Å; I193-Y416 HydrophobicContact CG1-CD1 4.3Å; I193-Y416 HydrophobicContact CG1-CD2 3.5Å; I193-Y416 VanDerWaalsContact CG1-CD2 3.5Å; I193-Y416 HydrophobicContact CG1-CE2 3.92Å; I193-Y416 HydrophobicContact CG1-CG 3.71Å
194S96.2Very high96.4Very high12 Ų1242.2 Ų42.28%0.08424%0.239CC..  trans-126.1179175.267.20000111T162 S196 V197T162-S194 WeakPolarHBondContact O-CB 3.32Å; T162-S194 PolarHBondContact O-OG 3.27Å; T162-S194 PolarHBondContact OG1-OG 3.47Å; S194-S196 PolarHBondContact O-N 3.23Å; S194-S196 VanDerWaalsContact OG-CB 3.32Å; S194-S196 WeakPolarHBondContact OG-CB 3.39Å; S194-S196 PolarHBondContact OG-N 3.25Å; S194-S196 PolarHBondContact OG-OG 3.43Å; S194-V197 PolarHBondContact O-N 3.28Å
195I95.8Very high96.4Very high96 Ų9643 Ų4349%0.49225%0.248SC..THydrogen-bonded Turntrans-57.1-8.9169.661.7170.4000114V197I195-V197 PolarHBondContact O-N 2.84Å
196S92.2Very high96.4Very high54 Ų5443.1 Ų43.138%0.37824%0.244SC..THydrogen-bonded Turntrans-58.2-25.6169.5-53.50000112.2S194 S198S194-S196 PolarHBondContact O-N 3.23Å; S194-S196 VanDerWaalsContact OG-CB 3.32Å; S194-S196 WeakPolarHBondContact OG-CB 3.39Å; S194-S196 PolarHBondContact OG-N 3.25Å; S194-S196 PolarHBondContact OG-OG 3.43Å; S196-S198 VanDerWaalsContact C-N 3.33Å; S196-S198 PolarHBondContact O-N 3.46Å; S196-S198 VanDerWaalsContact O-N 3.14Å
197V93.5Very high96.5Very high2 Ų242.8 Ų42.81%0.01224%0.243CC..SBendtrans-83.478.9171.8-175.10000108.7Y152 Y158 I193 S194 I195 E199 L200Y152-V197 HydrophobicContact CD1-CG1 4.34Å; Y152-V197 HydrophobicContact CD2-CG1 3.61Å; Y152-V197 HydrophobicContact CE1-CG1 4.48Å; Y152-V197 HydrophobicContact CE1-CG2 4.03Å; Y152-V197 HydrophobicContact CE2-CG1 3.78Å; Y152-V197 HydrophobicContact CE2-CG2 3.97Å; Y152-V197 HydrophobicContact CG-CG1 3.91Å; Y158-V197 HydrophobicContact CD2-CG1 4.47Å; Y158-V197 HydrophobicContact CD2-CG2 4Å; Y158-V197 HydrophobicContact CE2-CB 4.31Å; Y158-V197 HydrophobicContact CE2-CG1 4.05Å; Y158-V197 HydrophobicContact CE2-CG2 4.29Å; I193-V197 HydrophobicContact CB-CG2 3.98Å; I193-V197 HydrophobicContact CD1-CB 4.01Å; I193-V197 HydrophobicContact CD1-CG1 4.18Å; I193-V197 HydrophobicContact CD1-CG2 3.92Å; I193-V197 HydrophobicContact CG2-CG2 4.27Å; S194-V197 PolarHBondContact O-N 3.28Å; I195-V197 PolarHBondContact O-N 2.84Å; V197-E199 HydrophobicContact CG1-CG 4Å; V197-E199 WeakPolarHBondContact CG1-OE1 3.47Å; V197-E199 WeakPolarHBondContact CG1-OE2 3.48Å; V197-E199 PolarHBondContact O-N 3.44Å; V197-E199 VanDerWaalsContact O-N 3.15Å; V197-L200 HydrophobicContact CG1-CD1 4.01Å; V197-L200 PolarHBondContact O-N 2.99Å; V197-L200 VanDerWaalsContact O-N 3.17Å
198S93Very high96.6Very high87 Ų8740 Ų4061%0.60824%0.237SC*.G310 helixtrans-59.3-28.2-17063.20000114.7S196 L200 G201S196-S198 VanDerWaalsContact C-N 3.33Å; S196-S198 PolarHBondContact O-N 3.46Å; S196-S198 VanDerWaalsContact O-N 3.14Å; S198-L200 PolarHBondContact O-N 3.42Å; S198-G201 PolarHBondContact O-N 2.92Å
199E95.5Very high96.6Very high86 Ų8638 Ų3840%0.40222%0.224SC..G310 helixtrans-67.5-16-179.365.1-93.3-145.500114Y152 Y158 V197Y152-E199 VanDerWaalsContact CD2-OE1 3.25Å; Y152-E199 WeakPolarHBondContact CD2-OE1 3.28Å; Y158-E199 WeakPolarHBondContact CE2-OE1 3.03Å; Y158-E199 VanDerWaalsContact CE2-OE2 3.3Å; Y158-E199 WeakPolarHBondContact CE2-OE2 3.41Å; Y158-E199 PolarHBondContact OH-OE2 2.95Å; V197-E199 HydrophobicContact CG1-CG 4Å; V197-E199 WeakPolarHBondContact CG1-OE1 3.47Å; V197-E199 WeakPolarHBondContact CG1-OE2 3.48Å; V197-E199 PolarHBondContact O-N 3.44Å; V197-E199 VanDerWaalsContact O-N 3.15Å
200L96.7Very high96.7Very high1 Ų137.5 Ų37.51%0.00522%0.222CC..G310 helixtrans-90.5-6174.6-93.867.3000113.1A148 L149 I193 V197 S198 P209 H210 Y416A148-L200 HydrophobicContact CB-CD1 3.99Å; A148-L200 HydrophobicContact CB-CG 4.25Å; L149-L200 HydrophobicContact CB-CD2 4.12Å; L149-L200 HydrophobicContact CD1-CD2 3.92Å; I193-L200 HydrophobicContact CD1-CD2 3.6Å; V197-L200 HydrophobicContact CG1-CD1 4.01Å; V197-L200 PolarHBondContact O-N 2.99Å; V197-L200 VanDerWaalsContact O-N 3.17Å; S198-L200 PolarHBondContact O-N 3.42Å; L200-P209 WeakPolarHBondContact O-CD 3.23Å; L200-H210 PolarHBondContact O-CE1 3.45Å; L200-H210 PolarHBondContact O-ND1 3.15Å; L200-Y416 HydrophobicContact CB-CE2 4.26Å; L200-Y416 HydrophobicContact CD2-CD2 3.85Å; L200-Y416 HydrophobicContact CD2-CE2 3.89Å
201G97.1Very high96.8Very high13 Ų1338.2 Ų38.213%0.13423%0.225CC..  trans64.5-152.8-172.600000112.2S198S198-G201 PolarHBondContact O-N 2.92Å
202S98.1Very high96.9Very high10 Ų1042 Ų427%0.0724%0.24CC..  trans-138.1136.4-173.11680000110.8L204 D205 H206 S207S202-L204 PolarHBondContact OG-N 3.23Å; S202-D205 WeakPolarHBondContact CB-OD2 3.45Å; S202-D205 PolarHBondContact OG-N 2.7Å; S202-D205 PolarHBondContact OG-OD2 3.47Å; S202-H206 PolarHBondContact O-N 3.02Å; S202-S207 PolarHBondContact N-OG 3.48Å; S202-S207 VanDerWaalsContact N-OG 3.1Å; S202-S207 PolarHBondContact O-N 3.1Å
203L98.3Very high96.9Very high0 Ų039.7 Ų39.70%023%0.228CC..THydrogen-bonded Turntrans-64-43.6175.4178.866.1000111.4H206 H210 M228 T230 Y406 T410 P414 V419L203-H206 PolarHBondContact O-N 3.5Å; L203-H206 PolarHBondContact O-ND1 2.77Å; L203-H210 VanDerWaalsContact CA-CD2 3.46Å; L203-H210 WeakPolarHBondContact CA-CD2 3.12Å; L203-M228 HydrophobicContact CD1-CB 4.16Å; L203-M228 HydrophobicContact CD1-CE 3.97Å; L203-T230 HydrophobicContact CD2-CG2 4.05Å; L203-Y406 WeakPolarHBondContact CD2-OH 3.3Å; L203-Y406 WeakPolarHBondContact CG-OH 3.13Å; L203-T410 HydrophobicContact CD2-CG2 4.34Å; L203-P414 HydrophobicContact CB-CG 4.04Å; L203-P414 HydrophobicContact CD2-CB 3.53Å; L203-P414 HydrophobicContact CD2-CG 3.76Å; L203-V419 HydrophobicContact CD2-CG2 4.09Å
204L97.8Very high97.1Very high23 Ų2339.1 Ų39.112%0.1223%0.225CC..THydrogen-bonded Turntrans-73.7-29.8-176-82.365.9000112.3S202 H206 N403 M407 T410 T412S202-L204 PolarHBondContact OG-N 3.23Å; L204-H206 VanDerWaalsContact C-N 3.33Å; L204-N403 PolarHBondContact O-ND2 2.8Å; L204-M407 HydrophobicContact CB-CG 4.39Å; L204-M407 HydrophobicContact CB-SD 4.41Å; L204-M407 HydrophobicContact CD2-CG 4.38Å; L204-M407 HydrophobicContact CG-CG 4.25Å; L204-T410 HydrophobicContact CD1-CG2 3.87Å; L204-T412 HydrophobicContact CD2-CG2 4.34Å
205D97.3Very high97.2Very high111 Ų11142.9 Ų42.959%0.59424%0.242SC*.THydrogen-bonded Turntrans-89.1-3177.9-54.2-53.8000112.6S202 S207S202-D205 WeakPolarHBondContact CB-OD2 3.45Å; S202-D205 PolarHBondContact OG-N 2.7Å; S202-D205 PolarHBondContact OG-OD2 3.47Å; D205-S207 VanDerWaalsContact C-N 3.28Å; D205-S207 PolarHBondContact O-N 3.39Å
206H98.1Very high97.3Very high21 Ų2139.2 Ų39.210%0.09722%0.222CC..THydrogen-bonded Turntrans47.249.8-173-51.5-69.5000112.3S202 L203 L204 K211 E214 Y227 N403 Y406S202-H206 PolarHBondContact O-N 3.02Å; L203-H206 PolarHBondContact O-N 3.5Å; L203-H206 PolarHBondContact O-ND1 2.77Å; L204-H206 VanDerWaalsContact C-N 3.33Å; H206-K211 VanDerWaalsContact O-CB 3.24Å; H206-K211 WeakPolarHBondContact O-CB 3.47Å; H206-E214 IonicContact CE1-OE1 3.76Å; H206-E214 PolarHBondContact CE1-OE1 3.32Å; H206-E214 IonicContact CG-OE1 2.93Å; H206-E214 IonicContact CG-OE2 2.67Å; H206-E214 VanDerWaalsContact ND1-CD 3.26Å; H206-E214 IonicContact ND1-OE1 3.07Å; H206-E214 PolarHBondContact ND1-OE1 3.18Å; H206-E214 IonicContact ND1-OE2 3.3Å; H206-E214 PolarHBondContact ND1-OE2 3.3Å; H206-Y227 AromaticContact CE1-CD1 3.52Å; H206-Y227 AromaticContact CE1-CE1 3.69Å; H206-Y227 AromaticContact NE2-CD1 3.95Å; H206-Y227 AromaticContact NE2-CE1 3.68Å; H206-N403 PolarHBondContact NE2-OD1 3.32Å; H206-Y406 AromaticContact CE1-CE1 3.93Å
207S98.4Very high97.7Very high41 Ų4136.7 Ų36.729%0.28720%0.204SC..  trans-121.6156.2-167.970.20000113.4S202 D205 H210S202-S207 PolarHBondContact N-OG 3.48Å; S202-S207 VanDerWaalsContact N-OG 3.1Å; S202-S207 PolarHBondContact O-N 3.1Å; D205-S207 VanDerWaalsContact C-N 3.28Å; D205-S207 PolarHBondContact O-N 3.39Å; S207-H210 WeakPolarHBondContact O-CB 3.41Å; S207-H210 PolarHBondContact O-N 3.33Å
208G98.1Very high97.9Very high38 Ų3836.9 Ų36.939%0.39221%0.206SC..THydrogen-bonded Turntrans56.9-141.9-179.400000113H210 K211 E212G208-H210 PolarHBondContact O-N 3.07Å; G208-H210 VanDerWaalsContact O-N 3.12Å; G208-K211 VanDerWaalsContact O-CB 3.26Å; G208-K211 WeakPolarHBondContact O-CB 3.44Å; G208-K211 PolarHBondContact O-N 3.11Å; G208-E212 PolarHBondContact O-N 2.97Å
209P98.5Very high98.2Very high19 Ų1940.5 Ų40.512%0.12321%0.206CC..Hα-helixtrans-53.4-27.1175.9-31.136.6000115.6L145 A148 L200 E212 A213L145-P209 HydrophobicContact CB-CB 4.18Å; A148-P209 HydrophobicContact CB-CB 4.4Å; A148-P209 HydrophobicContact CB-CG 4.2Å; L200-P209 WeakPolarHBondContact O-CD 3.23Å; P209-E212 PolarHBondContact O-N 2.85Å; P209-A213 WeakPolarHBondContact O-CB 3.44Å; P209-A213 PolarHBondContact O-N 2.9Å
210H98.7Very high98.3Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-64.8-39.6173.9-71.880.4000111.9L145 L200 L203 S207 G208 E212 A213 E214 Y416L145-H210 HydrophobicContact CD1-CB 4.31Å; L145-H210 VanDerWaalsContact CD1-CD2 3.42Å; L145-H210 WeakPolarHBondContact CD1-CD2 2.94Å; L200-H210 PolarHBondContact O-CE1 3.45Å; L200-H210 PolarHBondContact O-ND1 3.15Å; L203-H210 VanDerWaalsContact CA-CD2 3.46Å; L203-H210 WeakPolarHBondContact CA-CD2 3.12Å; S207-H210 WeakPolarHBondContact O-CB 3.41Å; S207-H210 PolarHBondContact O-N 3.33Å; G208-H210 PolarHBondContact O-N 3.07Å; G208-H210 VanDerWaalsContact O-N 3.12Å; H210-E212 VanDerWaalsContact C-N 3.34Å; H210-E212 PolarHBondContact O-N 3.26Å; H210-A213 WeakPolarHBondContact O-CB 3.4Å; H210-A213 PolarHBondContact O-N 3.01Å; H210-E214 WeakPolarHBondContact O-CG 3.08Å; H210-E214 PolarHBondContact O-N 2.89Å; H210-Y416 AromaticContact CE1-CE2 3.77Å; H210-Y416 AromaticContact CE1-CZ 4Å
211K98.7Very high98.4Very high109 Ų10937.3 Ų37.347%0.47419%0.193SC..Hα-helixtrans-60.8-45.7173.7-167.1174.4177.2171.70111.4H206 G208 A213 E214 Q215H206-K211 VanDerWaalsContact O-CB 3.24Å; H206-K211 WeakPolarHBondContact O-CB 3.47Å; G208-K211 VanDerWaalsContact O-CB 3.26Å; G208-K211 WeakPolarHBondContact O-CB 3.44Å; G208-K211 PolarHBondContact O-N 3.11Å; K211-A213 VanDerWaalsContact C-N 3.32Å; K211-A213 PolarHBondContact O-N 3.11Å; K211-E214 PolarHBondContact O-N 3.39Å; K211-Q215 VanDerWaalsContact O-CG 3.29Å; K211-Q215 WeakPolarHBondContact O-CG 3.4Å; K211-Q215 PolarHBondContact O-N 3.47Å
212E98.7Very high98.5Very high99 Ų9939.7 Ų39.746%0.46320%0.202SC..Hα-helixtrans-63.5-40.5179.3-63.3178.2-159.900111.3P144 G208 P209 H210 Q215 Y216P144-E212 HydrophobicContact CB-CB 3.94Å; P144-E212 VanDerWaalsContact CB-OE2 3.26Å; P144-E212 WeakPolarHBondContact CB-OE2 3.4Å; P144-E212 HydrophobicContact CG-CB 3.72Å; G208-E212 PolarHBondContact O-N 2.97Å; P209-E212 PolarHBondContact O-N 2.85Å; H210-E212 VanDerWaalsContact C-N 3.34Å; H210-E212 PolarHBondContact O-N 3.26Å; E212-Q215 PolarHBondContact O-N 2.8Å; E212-Y216 WeakPolarHBondContact O-CB 3.29Å; E212-Y216 PolarHBondContact O-N 3.31Å
213A98.8Very high98.5Very high0 Ų039.9 Ų39.90%020%0.204CC..Hα-helixtrans-61.4-47.4175.500000111.8L145 P209 H210 K211 Q215 Y216 I217 M228 E423L145-A213 HydrophobicContact CB-CB 3.9Å; L145-A213 HydrophobicContact CD1-CB 4.22Å; P209-A213 WeakPolarHBondContact O-CB 3.44Å; P209-A213 PolarHBondContact O-N 2.9Å; H210-A213 WeakPolarHBondContact O-CB 3.4Å; H210-A213 PolarHBondContact O-N 3.01Å; K211-A213 VanDerWaalsContact C-N 3.32Å; K211-A213 PolarHBondContact O-N 3.11Å; A213-Q215 PolarHBondContact O-N 2.96Å; A213-Y216 WeakPolarHBondContact O-CB 3.36Å; A213-Y216 PolarHBondContact O-N 3.18Å; A213-I217 WeakPolarHBondContact O-CB 3.47Å; A213-I217 WeakPolarHBondContact O-CD1 3.19Å; A213-I217 VanDerWaalsContact O-CG1 3.24Å; A213-I217 WeakPolarHBondContact O-CG1 3.24Å; A213-I217 PolarHBondContact O-N 3.08Å; A213-M228 HydrophobicContact CB-CE 3.9Å; A213-M228 HydrophobicContact CB-SD 4.39Å; A213-E423 WeakPolarHBondContact CA-OE1 3.47Å; A213-E423 HydrophobicContact CB-CB 4.49Å; A213-E423 HydrophobicContact CB-CG 3.93Å; A213-E423 WeakPolarHBondContact CB-OE1 3.19Å
214E98.8Very high98.6Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-63.9-41.6178.3-72.2178.1167.500112.5H206 H210 K211 Y216 I217 A218 R225 S226 M228H206-E214 IonicContact CE1-OE1 3.76Å; H206-E214 PolarHBondContact CE1-OE1 3.32Å; H206-E214 IonicContact CG-OE1 2.93Å; H206-E214 IonicContact CG-OE2 2.67Å; H206-E214 VanDerWaalsContact ND1-CD 3.26Å; H206-E214 IonicContact ND1-OE1 3.07Å; H206-E214 PolarHBondContact ND1-OE1 3.18Å; H206-E214 IonicContact ND1-OE2 3.3Å; H206-E214 PolarHBondContact ND1-OE2 3.3Å; H210-E214 WeakPolarHBondContact O-CG 3.08Å; H210-E214 PolarHBondContact O-N 2.89Å; K211-E214 PolarHBondContact O-N 3.39Å; E214-Y216 VanDerWaalsContact C-N 3.33Å; E214-I217 PolarHBondContact O-N 3.15Å; E214-A218 WeakPolarHBondContact O-CB 3.48Å; E214-A218 PolarHBondContact O-N 3.46Å; E214-R225 IonicContact OE2-CZ 3.59Å; E214-R225 VanDerWaalsContact OE2-CZ 3.28Å; E214-R225 IonicContact OE2-NH1 3.44Å; E214-R225 PolarHBondContact OE2-NH1 3.17Å; E214-R225 IonicContact OE2-NH2 2.71Å; E214-R225 PolarHBondContact OE2-NH2 3.15Å; E214-S226 WeakPolarHBondContact CB-O 3.37Å; E214-M228 HydrophobicContact CG-CE 4.07Å
215Q98.8Very high98.6Very high90 Ų9044 Ų4442%0.42122%0.223SC..Hα-helixtrans-64.9-38.3173.2-70.2177.2-9.100111.8K211 E212 A213 R219K211-Q215 VanDerWaalsContact O-CG 3.29Å; K211-Q215 WeakPolarHBondContact O-CG 3.4Å; K211-Q215 PolarHBondContact O-N 3.47Å; E212-Q215 PolarHBondContact O-N 2.8Å; A213-Q215 PolarHBondContact O-N 2.96Å; Q215-R219 WeakPolarHBondContact O-CG 3.38Å; Q215-R219 PolarHBondContact O-N 2.9Å; Q215-R219 VanDerWaalsContact O-N 3.09Å; Q215-R219 PolarHBondContact O-NH1 3.32Å
216Y98.8Very high98.7Very high20 Ų2038.7 Ų38.78%0.07820%0.195CC..Hα-helixtrans-62.7-49.5175.9179.6-87.9000111.3P143 E212 A213 E214 R219 V220 A426 A427 K430P143-Y216 HydrophobicContact CB-CD1 4.36Å; P143-Y216 HydrophobicContact CB-CE1 4.06Å; E212-Y216 WeakPolarHBondContact O-CB 3.29Å; E212-Y216 PolarHBondContact O-N 3.31Å; A213-Y216 WeakPolarHBondContact O-CB 3.36Å; A213-Y216 PolarHBondContact O-N 3.18Å; E214-Y216 VanDerWaalsContact C-N 3.33Å; Y216-R219 PolarHBondContact O-N 2.9Å; Y216-V220 HydrophobicContact CD1-CG2 4.26Å; Y216-V220 HydrophobicContact CE1-CG2 3.93Å; Y216-V220 WeakPolarHBondContact O-CG2 3.36Å; Y216-V220 PolarHBondContact O-N 2.72Å; Y216-A426 HydrophobicContact CD1-CB 4.21Å; Y216-A426 HydrophobicContact CE1-CB 4Å; Y216-A427 HydrophobicContact CE1-CB 4.25Å; Y216-A427 VanDerWaalsContact OH-CA 3.31Å; Y216-A427 WeakPolarHBondContact OH-CA 3.38Å; Y216-K430 HydrophobicContact CE2-CD 3.95Å; Y216-K430 WeakPolarHBondContact OH-CD 3.38Å
217I98.9Very high98.7Very high0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-60.2-46.9176.6-67.1162.7000110A213 E214 R219 V220 F221 M228 M390 T422 E423 A426A213-I217 WeakPolarHBondContact O-CB 3.47Å; A213-I217 WeakPolarHBondContact O-CD1 3.19Å; A213-I217 VanDerWaalsContact O-CG1 3.24Å; A213-I217 WeakPolarHBondContact O-CG1 3.24Å; A213-I217 PolarHBondContact O-N 3.08Å; E214-I217 PolarHBondContact O-N 3.15Å; I217-R219 VanDerWaalsContact C-N 3.33Å; I217-R219 PolarHBondContact O-N 3.43Å; I217-V220 PolarHBondContact O-N 3.1Å; I217-V220 VanDerWaalsContact O-N 3.08Å; I217-F221 HydrophobicContact CG2-CD2 3.97Å; I217-F221 HydrophobicContact CG2-CE2 4.42Å; I217-F221 WeakPolarHBondContact O-CB 3.47Å; I217-F221 WeakPolarHBondContact O-CD2 3.22Å; I217-F221 PolarHBondContact O-N 3.24Å; I217-M228 HydrophobicContact CD1-CG 3.59Å; I217-M228 HydrophobicContact CD1-SD 3.57Å; I217-M228 VanDerWaalsContact CD1-SD 3.57Å; I217-M390 HydrophobicContact CD1-CE 4.25Å; I217-M390 HydrophobicContact CG1-CE 4.32Å; I217-M390 HydrophobicContact CG2-CE 3.89Å; I217-M390 HydrophobicContact CG2-CG 4.41Å; I217-M390 HydrophobicContact CG2-SD 3.72Å; I217-T422 HydrophobicContact CD1-CG2 4.5Å; I217-E423 HydrophobicContact CD1-CB 4.43Å; I217-A426 HydrophobicContact CB-CB 4.5Å; I217-A426 HydrophobicContact CG1-CB 3.8Å
218A98.8Very high98.7Very high7 Ų735.9 Ų35.96%0.05818%0.177CC..Hα-helixtrans-56.3-44.4178.600000112.7E214 V220 F221 N222 A223 S226E214-A218 WeakPolarHBondContact O-CB 3.48Å; E214-A218 PolarHBondContact O-N 3.46Å; A218-V220 PolarHBondContact O-N 3.28Å; A218-F221 PolarHBondContact O-N 3.17Å; A218-N222 PolarHBondContact O-N 3.23Å; A218-N222 VanDerWaalsContact O-N 3.09Å; A218-A223 HydrophobicContact CB-CB 4.44Å; A218-A223 PolarHBondContact O-N 3.38Å; A218-S226 VanDerWaalsContact CA-OG 3.26Å; A218-S226 WeakPolarHBondContact CA-OG 3.49Å; A218-S226 PolarHBondContact N-OG 3.07Å
219R98.7Very high98.8Very high163 Ų16334.1 Ų34.162%0.61516%0.159SC*.Hα-helixtrans-63.2-40.4175.1-72-173.7-59.6-942.2113Q215 Y216 I217Q215-R219 WeakPolarHBondContact O-CG 3.38Å; Q215-R219 PolarHBondContact O-N 2.9Å; Q215-R219 VanDerWaalsContact O-N 3.09Å; Q215-R219 PolarHBondContact O-NH1 3.32Å; Y216-R219 PolarHBondContact O-N 2.9Å; I217-R219 VanDerWaalsContact C-N 3.33Å; I217-R219 PolarHBondContact O-N 3.43Å
220V98.7Very high98.8Very high18 Ų1833.9 Ų33.911%0.10916%0.157CC..Hα-helixtrans-71-35.3-179.4172.30000111.6Y216 I217 A218 N351 F352 A426 M429 K430Y216-V220 HydrophobicContact CD1-CG2 4.26Å; Y216-V220 HydrophobicContact CE1-CG2 3.93Å; Y216-V220 WeakPolarHBondContact O-CG2 3.36Å; Y216-V220 PolarHBondContact O-N 2.72Å; I217-V220 PolarHBondContact O-N 3.1Å; I217-V220 VanDerWaalsContact O-N 3.08Å; A218-V220 PolarHBondContact O-N 3.28Å; V220-N351 PolarHBondContact O-ND2 3.01Å; V220-F352 HydrophobicContact CG1-CE1 3.65Å; V220-F352 HydrophobicContact CG1-CZ 3.95Å; V220-F352 WeakPolarHBondContact O-CE1 3.34Å; V220-A426 HydrophobicContact CB-CB 4.46Å; V220-A426 HydrophobicContact CG1-CB 4.33Å; V220-A426 WeakPolarHBondContact CG1-O 3.42Å; V220-M429 HydrophobicContact CG1-CB 4.4Å; V220-K430 HydrophobicContact CG2-CB 4.19Å; V220-K430 HydrophobicContact CG2-CG 4.34Å
221F98.8Very high98.8Very high2 Ų237.9 Ų37.91%0.00918%0.178CC..THydrogen-bonded Turntrans-100.810.6-173.9-76-104.6000114.1I217 A218 A223 P348 F352 Q376 L382 M390 H392 A426I217-F221 HydrophobicContact CG2-CD2 3.97Å; I217-F221 HydrophobicContact CG2-CE2 4.42Å; I217-F221 WeakPolarHBondContact O-CB 3.47Å; I217-F221 WeakPolarHBondContact O-CD2 3.22Å; I217-F221 PolarHBondContact O-N 3.24Å; A218-F221 PolarHBondContact O-N 3.17Å; F221-A223 VanDerWaalsContact C-N 3.34Å; F221-A223 PolarHBondContact O-N 3.37Å; F221-P348 WeakPolarHBondContact CE1-O 3.43Å; F221-F352 HydrophobicContact CD1-CE2 4.48Å; F221-F352 HydrophobicContact CD1-CZ 4.03Å; F221-F352 HydrophobicContact CD2-CZ 4.19Å; F221-F352 AromaticContact CE1-CE2 3.95Å; F221-F352 HydrophobicContact CE1-CE2 3.95Å; F221-F352 AromaticContact CE1-CZ 3.77Å; F221-F352 HydrophobicContact CE1-CZ 3.77Å; F221-F352 AromaticContact CE2-CZ 3.93Å; F221-F352 HydrophobicContact CE2-CZ 3.93Å; F221-F352 HydrophobicContact CG-CZ 4.24Å; F221-F352 HydrophobicContact CZ-CE2 4.07Å; F221-F352 AromaticContact CZ-CZ 3.72Å; F221-F352 HydrophobicContact CZ-CZ 3.72Å; F221-Q376 VanDerWaalsContact CE1-OE1 3.28Å; F221-L382 HydrophobicContact CE1-CD1 4.01Å; F221-L382 HydrophobicContact CZ-CD1 3.74Å; F221-M390 HydrophobicContact CD1-SD 4.48Å; F221-M390 HydrophobicContact CD2-SD 4.45Å; F221-M390 HydrophobicContact CE1-SD 4.12Å; F221-M390 HydrophobicContact CE2-CE 4.17Å; F221-M390 HydrophobicContact CE2-SD 4.11Å; F221-M390 HydrophobicContact CZ-CE 4.18Å; F221-M390 HydrophobicContact CZ-SD 3.94Å; F221-H392 AromaticContact CD1-CE1 3.86Å; F221-H392 AromaticContact CD1-NE2 3.44Å; F221-H392 WeakPolarHBondContact CD1-NE2 3.38Å; F221-H392 AromaticContact CG-CE1 3.66Å; F221-H392 AromaticContact CG-NE2 3.74Å; F221-A426 HydrophobicContact CD2-CB 4.35Å; F221-A426 HydrophobicContact CE2-CB 3.64Å
222N98.8Very high98.8Very high63 Ų6333 Ų3334%0.33716%0.159SC..THydrogen-bonded Turntrans5644.4179.1-17126000113.4A218 N351 M362 K394A218-N222 PolarHBondContact O-N 3.23Å; A218-N222 VanDerWaalsContact O-N 3.09Å; N222-N351 WeakPolarHBondContact CB-OD1 3.46Å; N222-M362 PolarHBondContact ND2-O 2.77Å; N222-K394 WeakPolarHBondContact O-CE 3.13Å; N222-K394 PolarHBondContact O-NZ 2.84Å
223A98.8Very high98.8Very high13 Ų1328.7 Ų28.711%0.10714%0.139CC..  trans-112.6152.3176.300000110.7A218 F221 M362 H392A218-A223 HydrophobicContact CB-CB 4.44Å; A218-A223 PolarHBondContact O-N 3.38Å; F221-A223 VanDerWaalsContact C-N 3.34Å; F221-A223 PolarHBondContact O-N 3.37Å; A223-M362 HydrophobicContact CB-SD 4.03Å; A223-H392 HydrophobicContact CB-CB 3.75Å
224D98.6Very high98.7Very high67 Ų6730.9 Ų30.936%0.35816%0.155SC..SBendtrans-73.1-40.1170.6-64.5-43.6000110.6R366 V393 K394 G395D224-R366 IonicContact OD1-NE 3.03Å; D224-R366 PolarHBondContact OD1-NE 2.76Å; D224-R366 IonicContact OD1-NH2 2.71Å; D224-R366 IonicContact OD2-CZ 3.74Å; D224-R366 IonicContact OD2-NE 3.16Å; D224-R366 PolarHBondContact OD2-NE 3.3Å; D224-R366 IonicContact OD2-NH2 2.74Å; D224-R366 PolarHBondContact OD2-NH2 2.98Å; D224-R366 VanDerWaalsContact OD2-NH2 3.07Å; D224-V393 WeakPolarHBondContact CB-O 3.32Å; D224-V393 PolarHBondContact N-O 2.76Å; D224-K394 VanDerWaalsContact OD2-CA 3.32Å; D224-K394 WeakPolarHBondContact OD2-CA 3.26Å; D224-K394 WeakPolarHBondContact OD2-CD 3.08Å; D224-G395 PolarHBondContact OD2-N 3.29Å
225R98.7Very high98.7Very high43 Ų4331.3 Ų31.316%0.16216%0.157CC..EExtended strand (participates in β ladder)trans-137.9142177.2-16973.2174.394.9-5.4109.4E214 Y227 V393 E399E214-R225 IonicContact OE2-CZ 3.59Å; E214-R225 VanDerWaalsContact OE2-CZ 3.28Å; E214-R225 IonicContact OE2-NH1 3.44Å; E214-R225 PolarHBondContact OE2-NH1 3.17Å; E214-R225 IonicContact OE2-NH2 2.71Å; E214-R225 PolarHBondContact OE2-NH2 3.15Å; R225-Y227 HydrophobicContact CB-CE2 4.45Å; R225-Y227 HydrophobicContact CG-CD2 4.22Å; R225-Y227 HydrophobicContact CG-CE2 3.49Å; R225-Y227 VanDerWaalsContact CG-CE2 3.49Å; R225-V393 HydrophobicContact CB-CB 4.19Å; R225-V393 HydrophobicContact CB-CG2 4.47Å; R225-V393 PolarHBondContact N-O 2.78Å; R225-V393 PolarHBondContact O-N 3.21Å; R225-E399 IonicContact NE-OE2 3.69Å; R225-E399 PolarHBondContact NE-OE2 3.09Å; R225-E399 VanDerWaalsContact NE-OE2 3.15Å
226S98.9Very high98.7Very high0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-126.5144.4169.9-640000110.9E214 A218 I391 H392E214-S226 WeakPolarHBondContact CB-O 3.37Å; A218-S226 VanDerWaalsContact CA-OG 3.26Å; A218-S226 WeakPolarHBondContact CA-OG 3.49Å; A218-S226 PolarHBondContact N-OG 3.07Å; S226-I391 CarbonylContact C-O 3.54Å; S226-I391 WeakPolarHBondContact CA-O 3.36Å; S226-H392 PolarHBondContact OG-ND1 3.14Å
227Y98.9Very high98.7Very high2 Ų226 Ų261%0.00813%0.134CC..EExtended strand (participates in β ladder)trans-120.5134.6172.2-63.8-99.6000109.5H206 R225 M390 I391 V393 E399 F402 Y406H206-Y227 AromaticContact CE1-CD1 3.52Å; H206-Y227 AromaticContact CE1-CE1 3.69Å; H206-Y227 AromaticContact NE2-CD1 3.95Å; H206-Y227 AromaticContact NE2-CE1 3.68Å; R225-Y227 HydrophobicContact CB-CE2 4.45Å; R225-Y227 HydrophobicContact CG-CD2 4.22Å; R225-Y227 HydrophobicContact CG-CE2 3.49Å; R225-Y227 VanDerWaalsContact CG-CE2 3.49Å; Y227-M390 WeakPolarHBondContact O-CA 3.49Å; Y227-I391 PolarHBondContact N-O 3.43Å; Y227-I391 PolarHBondContact O-N 2.78Å; Y227-V393 HydrophobicContact CE2-CG2 4.3Å; Y227-E399 PolarHBondContact OH-OE2 3.48Å; Y227-F402 HydrophobicContact CD1-CD1 4.47Å; Y227-F402 HydrophobicContact CD1-CE1 4.33Å; Y227-F402 HydrophobicContact CD2-CD1 4.2Å; Y227-F402 AromaticContact CD2-CE1 3.65Å; Y227-F402 HydrophobicContact CD2-CE1 3.65Å; Y227-F402 AromaticContact CE1-CD1 3.9Å; Y227-F402 HydrophobicContact CE1-CD1 3.9Å; Y227-F402 HydrophobicContact CE1-CE1 4.18Å; Y227-F402 AromaticContact CE2-CD1 3.59Å; Y227-F402 HydrophobicContact CE2-CD1 3.59Å; Y227-F402 AromaticContact CE2-CE1 3.48Å; Y227-F402 HydrophobicContact CE2-CE1 3.48Å; Y227-F402 VanDerWaalsContact CE2-CE1 3.48Å; Y227-F402 HydrophobicContact CE2-CZ 4.41Å; Y227-F402 HydrophobicContact CG-CE1 4.1Å; Y227-F402 AromaticContact CZ-CD1 3.43Å; Y227-F402 VanDerWaalsContact CZ-CD1 3.43Å; Y227-F402 AromaticContact CZ-CE1 3.78Å; Y227-Y406 HydrophobicContact CD1-CD2 4.08Å; Y227-Y406 HydrophobicContact CD1-CE2 4.43Å; Y227-Y406 HydrophobicContact CD1-CG 4.32Å
228M98.9Very high98.7Very high1 Ų127.3 Ų27.31%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-87.7126.9173.4-64.5-176.5-72.200109.9L145 L203 A213 E214 I217 Y406 V419 T422L145-M228 HydrophobicContact CD1-CE 4.39Å; L203-M228 HydrophobicContact CD1-CB 4.16Å; L203-M228 HydrophobicContact CD1-CE 3.97Å; A213-M228 HydrophobicContact CB-CE 3.9Å; A213-M228 HydrophobicContact CB-SD 4.39Å; E214-M228 HydrophobicContact CG-CE 4.07Å; I217-M228 HydrophobicContact CD1-CG 3.59Å; I217-M228 HydrophobicContact CD1-SD 3.57Å; I217-M228 VanDerWaalsContact CD1-SD 3.57Å; M228-Y406 WeakPolarHBondContact O-CE2 3.18Å; M228-Y406 PolarHBondContact O-OH 3.46Å; M228-V419 HydrophobicContact CE-CG1 3.54Å; M228-V419 HydrophobicContact SD-CG1 3.74Å; M228-T422 HydrophobicContact CB-CG2 4.37Å; M228-T422 HydrophobicContact CG-CG2 3.98Å; M228-T422 HydrophobicContact SD-CG2 4.37Å
229V98.9Very high98.7Very high1 Ų127 Ų271%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-116.2128-178.7177.20000109.4T235 A236 I239 Q387 S389 I391 Y406V229-T235 HydrophobicContact CG1-CG2 4.28Å; V229-A236 HydrophobicContact CG1-CB 4.5Å; V229-A236 HydrophobicContact CG2-CB 4.21Å; V229-I239 HydrophobicContact CG2-CD1 4.11Å; V229-Q387 VanDerWaalsContact O-O 3.08Å; V229-S389 PolarHBondContact N-O 3.06Å; V229-S389 PolarHBondContact O-N 3.18Å; V229-I391 HydrophobicContact CG2-CD1 3.86Å; V229-I391 HydrophobicContact CG2-CG1 4.01Å; V229-Y406 HydrophobicContact CG2-CE2 4.11Å
230T98.7Very high98.7Very high13 Ų1319.2 Ų19.28%0.0811%0.107CC..SBendtrans-101.616-175.464.80000113.8L203 Q387 P414 I418 V419L203-T230 HydrophobicContact CD2-CG2 4.05Å; T230-Q387 CarbonylContact C-O 3.1Å; T230-Q387 WeakPolarHBondContact O-CB 3.29Å; T230-P414 HydrophobicContact CG2-CB 4.24Å; T230-I418 HydrophobicContact CG2-CG2 4.08Å; T230-V419 HydrophobicContact CG2-CG2 3.67Å
231N98.6Very high98.7Very high84 Ų8418.4 Ų18.445%0.44910%0.102SC..SBendtrans-134.733.3177.5-161.326000112.5T235 Q387N231-T235 HydrophobicContact CB-CG2 4.26Å; N231-T235 WeakPolarHBondContact CB-OG1 3.49Å; N231-T235 PolarHBondContact ND2-OG1 3.3Å; N231-T235 VanDerWaalsContact ND2-OG1 3.14Å; N231-T235 WeakPolarHBondContact O-CB 3.45Å; N231-T235 PolarHBondContact O-OG1 3.35Å; N231-Q387 PolarHBondContact N-O 2.63Å
232G98.3Very high98.7Very high8 Ų821.1 Ų21.18%0.08212%0.116CC..Hα-helixtrans70.3173.2173.800000115.3S234 T235 A236 Q387G232-S234 PolarHBondContact O-N 2.81Å; G232-S234 VanDerWaalsContact O-N 3.12Å; G232-T235 PolarHBondContact O-N 3.21Å; G232-A236 PolarHBondContact O-N 2.71Å; G232-Q387 VanDerWaalsContact CA-O 3.28Å; G232-Q387 WeakPolarHBondContact CA-O 3.48Å; G232-Q387 PolarHBondContact N-O 3.03Å
233T98.6Very high98.8Very high7 Ų720.7 Ų20.74%0.04311%0.11CC..Hα-helixtrans-61.6-22.7176.7-56.80000112.2T235 A236 N237 A345 Q376 S377 S389T233-T235 PolarHBondContact O-N 2.7Å; T233-A236 PolarHBondContact O-N 3.04Å; T233-N237 VanDerWaalsContact CG2-OD1 3.28Å; T233-N237 WeakPolarHBondContact CG2-OD1 3.43Å; T233-N237 WeakPolarHBondContact O-CB 3.45Å; T233-N237 PolarHBondContact O-N 2.8Å; T233-N237 PolarHBondContact O-OD1 3.48Å; T233-A345 HydrophobicContact CG2-CB 4.1Å; T233-Q376 PolarHBondContact OG1-O 2.87Å; T233-S377 VanDerWaalsContact CB-OG 3.29Å; T233-S377 WeakPolarHBondContact CB-OG 3.44Å; T233-S377 VanDerWaalsContact OG1-CA 3.23Å; T233-S377 WeakPolarHBondContact OG1-CA 3.24Å; T233-S377 WeakPolarHBondContact OG1-CB 3.5Å; T233-S377 PolarHBondContact OG1-N 2.89Å; T233-S377 PolarHBondContact OG1-OG 2.94Å; T233-S389 WeakPolarHBondContact CA-OG 3.27Å; T233-S389 PolarHBondContact N-OG 3.02Å; T233-S389 PolarHBondContact OG1-OG 2.91Å
234S98.4Very high98.8Very high46 Ų4620.6 Ų20.632%0.32211%0.108SC..Hα-helixtrans-56.3-32.9172-67.40000113.1G232 K238G232-S234 PolarHBondContact O-N 2.81Å; G232-S234 VanDerWaalsContact O-N 3.12Å; S234-K238 WeakPolarHBondContact O-CG 3.42Å; S234-K238 PolarHBondContact O-NZ 3.05Å
235T98.8Very high98.8Very high9 Ų917.9 Ų17.96%0.05510%0.095CC..Hα-helixtrans-90.8-39.1177.3-56.90000111V229 N231 G232 T233 N237 K238 I239 H409V229-T235 HydrophobicContact CG1-CG2 4.28Å; N231-T235 HydrophobicContact CB-CG2 4.26Å; N231-T235 WeakPolarHBondContact CB-OG1 3.49Å; N231-T235 PolarHBondContact ND2-OG1 3.3Å; N231-T235 VanDerWaalsContact ND2-OG1 3.14Å; N231-T235 WeakPolarHBondContact O-CB 3.45Å; N231-T235 PolarHBondContact O-OG1 3.35Å; G232-T235 PolarHBondContact O-N 3.21Å; T233-T235 PolarHBondContact O-N 2.7Å; T235-N237 VanDerWaalsContact C-N 3.28Å; T235-N237 PolarHBondContact O-N 2.84Å; T235-K238 WeakPolarHBondContact O-CA 3.46Å; T235-K238 WeakPolarHBondContact O-CB 3.46Å; T235-K238 PolarHBondContact O-N 2.95Å; T235-I239 HydrophobicContact CG2-CD1 4.1Å; T235-I239 HydrophobicContact CG2-CG1 4.48Å; T235-I239 WeakPolarHBondContact O-CG1 3.32Å; T235-I239 PolarHBondContact O-N 3.19Å; T235-H409 HydrophobicContact CG2-CB 3.65Å
236A98.8Very high98.8Very high0 Ų019.7 Ų19.70%011%0.112CC..Hα-helixtrans-53.7-44.4174.300000112.4V229 G232 T233 K238 I239 V240 T375 I391V229-A236 HydrophobicContact CG1-CB 4.5Å; V229-A236 HydrophobicContact CG2-CB 4.21Å; G232-A236 PolarHBondContact O-N 2.71Å; T233-A236 PolarHBondContact O-N 3.04Å; A236-K238 VanDerWaalsContact C-N 3.27Å; A236-K238 PolarHBondContact O-N 3.36Å; A236-I239 PolarHBondContact O-N 2.75Å; A236-V240 WeakPolarHBondContact O-CG2 3.49Å; A236-V240 PolarHBondContact O-N 3.39Å; A236-V240 VanDerWaalsContact O-N 3.09Å; A236-T375 HydrophobicContact CB-CG2 3.92Å; A236-I391 HydrophobicContact CB-CD1 4.23Å; A236-I391 HydrophobicContact CB-CG1 3.72Å
237N98.8Very high98.7Very high0 Ų023.5 Ų23.50%014%0.144CC..Hα-helixtrans-60.4-35.2175.9-68.61.6000112.5T233 T235 G241 S260 L261 D343 T375T233-N237 VanDerWaalsContact CG2-OD1 3.28Å; T233-N237 WeakPolarHBondContact CG2-OD1 3.43Å; T233-N237 WeakPolarHBondContact O-CB 3.45Å; T233-N237 PolarHBondContact O-N 2.8Å; T233-N237 PolarHBondContact O-OD1 3.48Å; T235-N237 VanDerWaalsContact C-N 3.28Å; T235-N237 PolarHBondContact O-N 2.84Å; N237-G241 PolarHBondContact O-N 3.22Å; N237-S260 PolarHBondContact ND2-OG 2.81Å; N237-S260 VanDerWaalsContact ND2-OG 3.1Å; N237-L261 HydrophobicContact CB-CD2 3.92Å; N237-D343 PolarHBondContact ND2-OD2 2.64Å; N237-T375 WeakPolarHBondContact OD1-CB 3.3Å; N237-T375 PolarHBondContact OD1-OG1 3.4Å
238K98.9Very high98.7Very high26 Ų2625.8 Ų25.811%0.11317%0.168CC..Hα-helixtrans-71.5-44.6178.8-65.1172.4171.777.50111.3S234 T235 A236 G241 M242 M267S234-K238 WeakPolarHBondContact O-CG 3.42Å; S234-K238 PolarHBondContact O-NZ 3.05Å; T235-K238 WeakPolarHBondContact O-CA 3.46Å; T235-K238 WeakPolarHBondContact O-CB 3.46Å; T235-K238 PolarHBondContact O-N 2.95Å; A236-K238 VanDerWaalsContact C-N 3.27Å; A236-K238 PolarHBondContact O-N 3.36Å; K238-G241 PolarHBondContact O-N 2.88Å; K238-M242 WeakPolarHBondContact O-CB 3.25Å; K238-M242 WeakPolarHBondContact O-CG 3.41Å; K238-M242 PolarHBondContact O-N 3.42Å; K238-M267 HydrophobicContact CB-CE 4.3Å; K238-M267 HydrophobicContact CD-CE 3.47Å; K238-M267 VanDerWaalsContact CD-CE 3.47Å; K238-M267 HydrophobicContact CD-SD 4.41Å; K238-M267 HydrophobicContact CG-CE 3.62Å
239I98.9Very high98.7Very high0 Ų026.2 Ų26.20%017%0.171CC..Hα-helixtrans-56.7-52.7177.4-65.6164.5000110V229 T235 A236 G241 Y243 I391 F402 A405 Y406 H409V229-I239 HydrophobicContact CG2-CD1 4.11Å; T235-I239 HydrophobicContact CG2-CD1 4.1Å; T235-I239 HydrophobicContact CG2-CG1 4.48Å; T235-I239 WeakPolarHBondContact O-CG1 3.32Å; T235-I239 PolarHBondContact O-N 3.19Å; A236-I239 PolarHBondContact O-N 2.75Å; I239-G241 PolarHBondContact O-N 2.86Å; I239-Y243 WeakPolarHBondContact O-CB 3.29Å; I239-Y243 PolarHBondContact O-N 3.46Å; I239-I391 HydrophobicContact CB-CD1 3.96Å; I239-I391 HydrophobicContact CD1-CD1 4.17Å; I239-I391 HydrophobicContact CG2-CD1 3.77Å; I239-F402 HydrophobicContact CG2-CE1 4.08Å; I239-F402 HydrophobicContact CG2-CZ 4.09Å; I239-A405 HydrophobicContact CG2-CB 4.45Å; I239-Y406 HydrophobicContact CD1-CD2 3.95Å; I239-H409 HydrophobicContact CD1-CB 4.1Å; I239-H409 HydrophobicContact CG1-CB 3.72Å
240V98.9Very high98.7Very high0 Ų026.2 Ų26.20%017%0.171CC..Hα-helixtrans-62.1-44.5178.5174.50000111.4A236 S244 H341 Y373 T375 I391 F402A236-V240 WeakPolarHBondContact O-CG2 3.49Å; A236-V240 PolarHBondContact O-N 3.39Å; A236-V240 VanDerWaalsContact O-N 3.09Å; V240-S244 WeakPolarHBondContact O-CB 3.19Å; V240-S244 PolarHBondContact O-N 2.93Å; V240-S244 PolarHBondContact O-OG 3.07Å; V240-H341 HydrophobicContact CG1-CB 4.14Å; V240-Y373 HydrophobicContact CG1-CD1 4.09Å; V240-Y373 HydrophobicContact CG1-CD2 3.72Å; V240-Y373 HydrophobicContact CG1-CE2 4.16Å; V240-Y373 HydrophobicContact CG1-CG 3.67Å; V240-Y373 HydrophobicContact CG2-CD1 4.29Å; V240-Y373 HydrophobicContact CG2-CG 4.47Å; V240-T375 HydrophobicContact CG2-CG2 4.02Å; V240-I391 HydrophobicContact CG2-CD1 4.16Å; V240-I391 HydrophobicContact CG2-CG1 4.25Å; V240-I391 HydrophobicContact CG2-CG2 3.61Å; V240-F402 HydrophobicContact CG2-CZ 4.31Å
241G98.8Very high98.7Very high1 Ų125.7 Ų25.71%0.0117%0.168CC..Hα-helixtrans-64.6-49.1-178.400000113.8N237 K238 I239 Y243 S244 A245N237-G241 PolarHBondContact O-N 3.22Å; K238-G241 PolarHBondContact O-N 2.88Å; I239-G241 PolarHBondContact O-N 2.86Å; G241-Y243 VanDerWaalsContact C-N 3.31Å; G241-Y243 PolarHBondContact O-N 3.27Å; G241-S244 PolarHBondContact O-N 3.25Å; G241-S244 VanDerWaalsContact O-N 3.13Å; G241-A245 WeakPolarHBondContact O-CB 3.41Å; G241-A245 PolarHBondContact O-N 3.4Å
242M98.8Very high98.7Very high59 Ų5921.7 Ų21.729%0.29115%0.147SC..Hα-helixtrans-66.8-31.9179.6-71.4-164.2-174.500112.5K238 L264 M267 H409K238-M242 WeakPolarHBondContact O-CB 3.25Å; K238-M242 WeakPolarHBondContact O-CG 3.41Å; K238-M242 PolarHBondContact O-N 3.42Å; M242-L264 HydrophobicContact CG-CD1 3.95Å; M242-M267 HydrophobicContact CE-CB 3.83Å; M242-M267 HydrophobicContact CE-CE 3.53Å; M242-M267 HydrophobicContact CE-SD 3.93Å; M242-H409 PolarHBondContact SD-NE2 3.04Å
243Y98.9Very high98.8Very high55 Ų5521.3 Ų21.322%0.21614%0.143CC..Hα-helixtrans-67-43169.7172.3-93.7000112I239 G241 Y373 V397 N398 T401 F402I239-Y243 WeakPolarHBondContact O-CB 3.29Å; I239-Y243 PolarHBondContact O-N 3.46Å; G241-Y243 VanDerWaalsContact C-N 3.31Å; G241-Y243 PolarHBondContact O-N 3.27Å; Y243-Y373 VanDerWaalsContact CE1-OH 3.23Å; Y243-Y373 WeakPolarHBondContact CE1-OH 3.41Å; Y243-V397 HydrophobicContact CE1-CB 4.32Å; Y243-V397 HydrophobicContact CE1-CG1 3.99Å; Y243-V397 WeakPolarHBondContact OH-CA 3.25Å; Y243-V397 WeakPolarHBondContact OH-CB 3.28Å; Y243-N398 PolarHBondContact OH-N 2.83Å; Y243-T401 HydrophobicContact CD2-CG2 4.06Å; Y243-T401 HydrophobicContact CE2-CG2 4.04Å; Y243-F402 AromaticContact CD1-CD2 3.65Å; Y243-F402 HydrophobicContact CD1-CD2 3.65Å; Y243-F402 HydrophobicContact CD1-CE2 4.03Å; Y243-F402 HydrophobicContact CD2-CB 3.91Å; Y243-F402 AromaticContact CD2-CD2 3.7Å; Y243-F402 HydrophobicContact CD2-CD2 3.7Å; Y243-F402 HydrophobicContact CD2-CG 4.23Å; Y243-F402 HydrophobicContact CE1-CD2 4Å; Y243-F402 HydrophobicContact CE2-CB 3.88Å; Y243-F402 HydrophobicContact CE2-CD2 4.02Å; Y243-F402 HydrophobicContact CE2-CG 4.46Å; Y243-F402 AromaticContact CG-CD2 3.5Å; Y243-F402 HydrophobicContact CG-CD2 3.5Å; Y243-F402 HydrophobicContact CG-CE2 4.07Å; Y243-F402 HydrophobicContact CG-CG 4.42Å
244S98.8Very high98.8Very high11 Ų1121 Ų218%0.07714%0.141CC..Hα-helixtrans-86.7-21.9-168.8-59.90000114.8V240 G241 H313 S339V240-S244 WeakPolarHBondContact O-CB 3.19Å; V240-S244 PolarHBondContact O-N 2.93Å; V240-S244 PolarHBondContact O-OG 3.07Å; G241-S244 PolarHBondContact O-N 3.25Å; G241-S244 VanDerWaalsContact O-N 3.13Å; S244-H313 WeakPolarHBondContact CB-ND1 3.2Å; S244-S339 PolarHBondContact OG-OG 3.28Å
245A98.7Very high98.8Very high9 Ų919.5 Ų19.57%0.07413%0.128CC..  trans-126.986.6-171.600000111.8G241 I251 V270G241-A245 WeakPolarHBondContact O-CB 3.41Å; G241-A245 PolarHBondContact O-N 3.4Å; A245-I251 HydrophobicContact CB-CG2 3.57Å; A245-V270 HydrophobicContact CB-CG1 3.97Å
246P98.7Very high98.7Very high81 Ų8119.9 Ų19.953%0.52613%0.129SC..  trans-60.8159.8174.2-21.833.5000112.6G248 S249P246-G248 PolarHBondContact O-N 3.4Å; P246-S249 WeakPolarHBondContact O-CB 3.17Å; P246-S249 PolarHBondContact O-N 3.5Å; P246-S249 VanDerWaalsContact O-N 3.1Å; P246-S249 PolarHBondContact O-OG 3.06Å
247A98.7Very high98.6Very high81 Ų8120.1 Ų20.167%0.66913%0.131SC*.THydrogen-bonded Turntrans-55.9138.8174.900000112.1S249 D269A247-S249 PolarHBondContact O-N 3.4Å; A247-D269 CarbonylContact C-O 3.56Å; A247-D269 VanDerWaalsContact CA-O 3.31Å; A247-D269 WeakPolarHBondContact CA-O 3.3Å; A247-D269 HydrophobicContact CB-CB 4.2Å
248G98.3Very high98.4Very high50 Ų5023.1 Ų23.152%0.51515%0.145SC..THydrogen-bonded Turntrans77.4-0.6-175.800000114.8P246 D269P246-G248 PolarHBondContact O-N 3.4Å; G248-D269 PolarHBondContact N-O 2.91Å
249S98.7Very high98.3Very high10 Ų1026.8 Ų26.87%0.0716%0.161CC..  trans-81.6161.1176.972.90000112.6P246 A247 V270 T271P246-S249 WeakPolarHBondContact O-CB 3.17Å; P246-S249 PolarHBondContact O-N 3.5Å; P246-S249 VanDerWaalsContact O-N 3.1Å; P246-S249 PolarHBondContact O-OG 3.06Å; A247-S249 PolarHBondContact O-N 3.4Å; S249-V270 WeakPolarHBondContact O-CA 3.44Å; S249-T271 PolarHBondContact O-N 3.49Å
250T98.9Very high98.2Very high0 Ų026.9 Ų26.90%016%0.161CC..EExtended strand (participates in β ladder)trans-102.4138.6173.6-590000110.4T271 I273 A308 T309 P311 V312T250-T271 WeakPolarHBondContact CA-O 3.49Å; T250-T271 WeakPolarHBondContact CG2-O 3.29Å; T250-I273 HydrophobicContact CG2-CD1 3.69Å; T250-I273 HydrophobicContact CG2-CG1 3.93Å; T250-A308 HydrophobicContact CG2-CB 4.12Å; T250-A308 VanDerWaalsContact OG1-CA 3.31Å; T250-A308 WeakPolarHBondContact OG1-CA 3.3Å; T250-T309 VanDerWaalsContact CB-O 3.29Å; T250-T309 WeakPolarHBondContact CB-O 3.39Å; T250-T309 WeakPolarHBondContact CG2-O 3.47Å; T250-T309 PolarHBondContact OG1-N 3.45Å; T250-T309 PolarHBondContact OG1-O 2.89Å; T250-P311 HydrophobicContact CG2-CG 4.35Å; T250-P311 VanDerWaalsContact O-CA 3.29Å; T250-P311 WeakPolarHBondContact O-CA 3.25Å; T250-V312 PolarHBondContact O-N 2.98Å
251I98.9Very high98.2Very high2 Ų226.9 Ų26.91%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-121.2144176.165.8171.3000110.8A245 I253 M265 V270 T271 P272 I273 H313A245-I251 HydrophobicContact CB-CG2 3.57Å; I251-I253 HydrophobicContact CD1-CB 4.48Å; I251-M265 HydrophobicContact CD1-CG 4.07Å; I251-M265 HydrophobicContact CD1-SD 4.43Å; I251-V270 HydrophobicContact CD1-CG2 3.93Å; I251-V270 HydrophobicContact CG1-CG2 4.3Å; I251-T271 PolarHBondContact N-O 2.88Å; I251-P272 HydrophobicContact CG1-CB 4.38Å; I251-I273 PolarHBondContact O-N 3.5Å; I251-H313 WeakPolarHBondContact CA-O 3.47Å; I251-H313 HydrophobicContact CG2-CB 4.1Å
252L98.9Very high98.2Very high1 Ų126.9 Ų26.91%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-90.9127.2163.5-78.4165.4000108.6I273 F275 I298 P311 H313 A314 V315 L335 V337L252-I273 WeakPolarHBondContact CA-O 3.33Å; L252-I273 HydrophobicContact CD2-CB 3.89Å; L252-I273 HydrophobicContact CD2-CG2 3.66Å; L252-F275 HydrophobicContact CB-CD2 4.33Å; L252-F275 HydrophobicContact CB-CE1 4.41Å; L252-F275 HydrophobicContact CB-CE2 3.69Å; L252-F275 HydrophobicContact CB-CZ 3.75Å; L252-F275 HydrophobicContact CD1-CE1 4.03Å; L252-F275 HydrophobicContact CD1-CE2 4.49Å; L252-F275 HydrophobicContact CD1-CZ 3.69Å; L252-F275 HydrophobicContact CD2-CD1 4.34Å; L252-F275 HydrophobicContact CD2-CE1 3.99Å; L252-F275 HydrophobicContact CD2-CZ 4.18Å; L252-F275 HydrophobicContact CG-CE1 4.38Å; L252-F275 HydrophobicContact CG-CE2 4.5Å; L252-F275 HydrophobicContact CG-CZ 4.09Å; L252-I298 HydrophobicContact CD1-CD1 3.82Å; L252-I298 HydrophobicContact CD1-CG1 4.03Å; L252-I298 HydrophobicContact CD1-CG2 4Å; L252-P311 HydrophobicContact CD1-CB 3.94Å; L252-P311 HydrophobicContact CD1-CG 3.71Å; L252-P311 HydrophobicContact CD2-CG 4.46Å; L252-P311 HydrophobicContact CG-CB 3.86Å; L252-P311 HydrophobicContact CG-CG 3.65Å; L252-H313 PolarHBondContact N-O 3Å; L252-A314 HydrophobicContact CB-CB 3.97Å; L252-A314 CarbonylContact O-C 3.49Å; L252-A314 WeakPolarHBondContact O-CA 3.37Å; L252-V315 PolarHBondContact O-N 3.11Å; L252-L335 HydrophobicContact CD1-CD1 4.1Å; L252-V337 HydrophobicContact CD1-CG2 4.14Å
253I98.8Very high98.2Very high0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-134.5133.6-177.3-175.2159.9000110.5I251 R255 C257 L261 M265 P272 I273 Y274 F275 V315I251-I253 HydrophobicContact CD1-CB 4.48Å; I253-R255 PolarHBondContact O-N 3.17Å; I253-C257 HydrophobicContact CD1-CB 4.42Å; I253-C257 HydrophobicContact CG1-CB 4.32Å; I253-L261 HydrophobicContact CD1-CB 3.81Å; I253-M265 HydrophobicContact CD1-CE 3.87Å; I253-M265 HydrophobicContact CD1-CG 4.37Å; I253-M265 HydrophobicContact CD1-SD 3.85Å; I253-M265 HydrophobicContact CG2-SD 4.15Å; I253-P272 HydrophobicContact CG2-CB 3.95Å; I253-I273 PolarHBondContact N-O 2.95Å; I253-Y274 HydrophobicContact CG2-CD1 3.61Å; I253-Y274 HydrophobicContact CG2-CE1 3.65Å; I253-Y274 HydrophobicContact CG2-CG 4.45Å; I253-Y274 CarbonylContact O-C 3.52Å; I253-Y274 VanDerWaalsContact O-CA 3.29Å; I253-Y274 WeakPolarHBondContact O-CA 3.28Å; I253-F275 PolarHBondContact O-N 2.51Å; I253-V315 HydrophobicContact CG1-CB 4.46Å
254D98.5Very high98.2Very high0 Ų025.6 Ų25.60%016%0.157CC..EExtended strand (participates in β ladder)trans-57.6128.5172.3-165-16.1000110.7N256 C257 P277 I288 V315 T317D254-N256 PolarHBondContact O-N 3.15Å; D254-N256 WeakPolarHBondContact OD1-CB 3.24Å; D254-N256 PolarHBondContact OD1-N 3.25Å; D254-C257 WeakPolarHBondContact O-CB 3.28Å; D254-C257 PolarHBondContact O-N 3.47Å; D254-P277 VanDerWaalsContact OD1-CG 3.3Å; D254-P277 WeakPolarHBondContact OD1-CG 3.4Å; D254-I288 HydrophobicContact CB-CD1 4.3Å; D254-V315 PolarHBondContact N-O 2.9Å; D254-T317 PolarHBondContact OD2-N 2.84Å
255R98.4Very high98.2Very high15 Ų1525.1 Ų25.16%0.05715%0.153CC..SBendtrans-65.7-24.8172.7-165.765.1177.8-166-2.4111.6I253 C257 Y274 F275 P277 L626 L671 M673 E676I253-R255 PolarHBondContact O-N 3.17Å; R255-C257 PolarHBondContact O-N 3.24Å; R255-C257 VanDerWaalsContact O-N 3.08Å; R255-Y274 HydrophobicContact CB-CD1 4.49Å; R255-Y274 VanDerWaalsContact NH1-CE1 3.35Å; R255-F275 VanDerWaalsContact CB-O 3.28Å; R255-F275 WeakPolarHBondContact CB-O 3.41Å; R255-F275 PolarHBondContact N-O 3.26Å; R255-P277 HydrophobicContact CB-CG 4.5Å; R255-L626 HydrophobicContact CG-CD2 4.19Å; R255-L671 PolarHBondContact NH2-O 3.41Å; R255-M673 VanDerWaalsContact NH1-CG 3.3Å; R255-E676 IonicContact CZ-OE1 3.49Å; R255-E676 VanDerWaalsContact CZ-OE1 3.3Å; R255-E676 IonicContact CZ-OE2 3.5Å; R255-E676 IonicContact NH1-OE1 3.67Å; R255-E676 PolarHBondContact NH1-OE1 3.4Å; R255-E676 IonicContact NH1-OE2 3.62Å; R255-E676 VanDerWaalsContact NH2-CD 3.3Å; R255-E676 IonicContact NH2-OE1 3.23Å; R255-E676 PolarHBondContact NH2-OE1 3.27Å; R255-E676 IonicContact NH2-OE2 2.74Å; R255-E676 PolarHBondContact NH2-OE2 3.13Å
256N97.5Very high98.2Very high16 Ų1626.1 Ų26.19%0.08616%0.157CC..SBendtrans-80.951.3166.8-173.218.9000111.4D254 P277 L285 T317 V669D254-N256 PolarHBondContact O-N 3.15Å; D254-N256 WeakPolarHBondContact OD1-CB 3.24Å; D254-N256 PolarHBondContact OD1-N 3.25Å; N256-P277 HydrophobicContact CB-CG 3.79Å; N256-L285 HydrophobicContact CB-CD2 3.65Å; N256-T317 WeakPolarHBondContact O-CB 3.3Å; N256-T317 PolarHBondContact O-OG1 2.93Å; N256-V669 WeakPolarHBondContact OD1-CG1 3.42Å
257C96.3Very high98.2Very high5 Ų525.9 Ų25.93%0.03415%0.15CC..  trans-90.2144.8179.360.70000111.9I253 D254 R255 L261 M673I253-C257 HydrophobicContact CD1-CB 4.42Å; I253-C257 HydrophobicContact CG1-CB 4.32Å; D254-C257 WeakPolarHBondContact O-CB 3.28Å; D254-C257 PolarHBondContact O-N 3.47Å; R255-C257 PolarHBondContact O-N 3.24Å; R255-C257 VanDerWaalsContact O-N 3.08Å; C257-L261 HydrophobicContact CB-CB 4Å; C257-L261 HydrophobicContact CB-CD1 3.72Å; C257-L261 HydrophobicContact CB-CG 4.49Å; C257-M673 VanDerWaalsContact SG-CE 3.6Å
258H96.2Very high98.2Very high64 Ų6422.8 Ų22.830%0.29612%0.123SC..  trans-66.2147.3165.7-178.7-104.9000110.5S260 L261H258-S260 WeakPolarHBondContact ND1-CB 3.23Å; H258-S260 PolarHBondContact ND1-N 3.4Å; H258-S260 PolarHBondContact ND1-OG 3.48Å; H258-S260 PolarHBondContact O-N 3.12Å; H258-L261 WeakPolarHBondContact O-CB 3.29Å; H258-L261 PolarHBondContact O-N 2.85Å
259K95.3Very high98.2Very high103 Ų10323.8 Ų23.845%0.44812%0.116SC..Hα-helixtrans-48.2-27.2179.962.4177.5177.4-71.20115.1L261 T262 H263 M661K259-L261 VanDerWaalsContact C-N 3.26Å; K259-L261 PolarHBondContact O-N 3.46Å; K259-T262 WeakPolarHBondContact O-CB 3.44Å; K259-T262 PolarHBondContact O-N 3.49Å; K259-H263 PolarHBondContact O-CD2 3.37Å; K259-H263 PolarHBondContact O-N 3.42Å; K259-M661 HydrophobicContact CB-CE 3.95Å
260S98.1Very high98.2Very high1 Ų123.3 Ų23.31%0.00711%0.113CC..Hα-helixtrans-63.3-30.617752.90000113.4N237 H258 H263 L264N237-S260 PolarHBondContact ND2-OG 2.81Å; N237-S260 VanDerWaalsContact ND2-OG 3.1Å; H258-S260 WeakPolarHBondContact ND1-CB 3.23Å; H258-S260 PolarHBondContact ND1-N 3.4Å; H258-S260 PolarHBondContact ND1-OG 3.48Å; H258-S260 PolarHBondContact O-N 3.12Å; S260-H263 PolarHBondContact O-N 3.15Å; S260-L264 PolarHBondContact O-N 3.12Å
261L98.7Very high98.2Very high1 Ų123.9 Ų23.91%0.00512%0.117CC..Hα-helixtrans-77.4-33176-66167000111.3N237 I253 C257 H258 K259 H263 L264 M265 V315N237-L261 HydrophobicContact CB-CD2 3.92Å; I253-L261 HydrophobicContact CD1-CB 3.81Å; C257-L261 HydrophobicContact CB-CB 4Å; C257-L261 HydrophobicContact CB-CD1 3.72Å; C257-L261 HydrophobicContact CB-CG 4.49Å; H258-L261 WeakPolarHBondContact O-CB 3.29Å; H258-L261 PolarHBondContact O-N 2.85Å; K259-L261 VanDerWaalsContact C-N 3.26Å; K259-L261 PolarHBondContact O-N 3.46Å; L261-H263 VanDerWaalsContact C-N 3.34Å; L261-L264 HydrophobicContact CD2-CD2 4.22Å; L261-L264 WeakPolarHBondContact O-CB 3.3Å; L261-L264 PolarHBondContact O-N 3.48Å; L261-M265 WeakPolarHBondContact O-CG 3.49Å; L261-M265 PolarHBondContact O-N 3.29Å; L261-V315 HydrophobicContact CD1-CG1 3.65Å; L261-V315 HydrophobicContact CD2-CG1 3.92Å; L261-V315 HydrophobicContact CD2-CG2 4.48Å; L261-V315 HydrophobicContact CG-CG1 4.45Å
262T98.7Very high98.2Very high1 Ų124 Ų241%0.00612%0.117CC..Hα-helixtrans-61.1-44.8166.8-46.40000111K259 L264 M265 M266 M661 M673 P674K259-T262 WeakPolarHBondContact O-CB 3.44Å; K259-T262 PolarHBondContact O-N 3.49Å; T262-L264 VanDerWaalsContact C-N 3.31Å; T262-L264 PolarHBondContact O-N 3.01Å; T262-M265 HydrophobicContact CG2-CE 4.43Å; T262-M265 PolarHBondContact O-N 3.37Å; T262-M265 VanDerWaalsContact O-N 3.15Å; T262-M266 HydrophobicContact CG2-SD 4.22Å; T262-M266 WeakPolarHBondContact O-CG 3.35Å; T262-M266 PolarHBondContact O-N 3.43Å; T262-M661 HydrophobicContact CG2-CB 4.34Å; T262-M661 HydrophobicContact CG2-SD 3.97Å; T262-M661 PolarHBondContact OG1-SD 3.22Å; T262-M661 VanDerWaalsContact OG1-SD 3.41Å; T262-M673 HydrophobicContact CG2-SD 3.81Å; T262-P674 HydrophobicContact CG2-CG 4.45Å
263H98.7Very high98.2Very high82 Ų8224.2 Ų24.238%0.3812%0.118SC..Hα-helixtrans-61.9-37.5174.5-60.5171.8000112.2K259 S260 L261 M265 M266 M267K259-H263 PolarHBondContact O-CD2 3.37Å; K259-H263 PolarHBondContact O-N 3.42Å; S260-H263 PolarHBondContact O-N 3.15Å; L261-H263 VanDerWaalsContact C-N 3.34Å; H263-M265 VanDerWaalsContact C-N 3.34Å; H263-M265 PolarHBondContact O-N 3.09Å; H263-M266 PolarHBondContact O-N 2.93Å; H263-M267 WeakPolarHBondContact O-CE 3.29Å; H263-M267 VanDerWaalsContact O-CG 3.26Å; H263-M267 WeakPolarHBondContact O-CG 3.41Å; H263-M267 PolarHBondContact O-N 3.37Å
264L98.7Very high98.2Very high5 Ų524.7 Ų24.73%0.02612%0.121CC..Hα-helixtrans-57.5-47.3172.9168.168.7000111.2M242 S260 L261 T262 M266 M267 S268M242-L264 HydrophobicContact CG-CD1 3.95Å; S260-L264 PolarHBondContact O-N 3.12Å; L261-L264 HydrophobicContact CD2-CD2 4.22Å; L261-L264 WeakPolarHBondContact O-CB 3.3Å; L261-L264 PolarHBondContact O-N 3.48Å; T262-L264 VanDerWaalsContact C-N 3.31Å; T262-L264 PolarHBondContact O-N 3.01Å; L264-M266 VanDerWaalsContact C-N 3.29Å; L264-M266 PolarHBondContact O-N 2.95Å; L264-M267 PolarHBondContact O-N 3.23Å; L264-S268 WeakPolarHBondContact CD1-OG 3.28Å; L264-S268 WeakPolarHBondContact O-CB 3.44Å; L264-S268 PolarHBondContact O-N 2.97Å; L264-S268 PolarHBondContact O-OG 3.48Å
265M98.8Very high98.2Very high0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-66.7-26.8177.4-66.3-175.3-70.300113.5I251 I253 L261 T262 H263 S268 P272 Y274 P633 Y634I251-M265 HydrophobicContact CD1-CG 4.07Å; I251-M265 HydrophobicContact CD1-SD 4.43Å; I253-M265 HydrophobicContact CD1-CE 3.87Å; I253-M265 HydrophobicContact CD1-CG 4.37Å; I253-M265 HydrophobicContact CD1-SD 3.85Å; I253-M265 HydrophobicContact CG2-SD 4.15Å; L261-M265 WeakPolarHBondContact O-CG 3.49Å; L261-M265 PolarHBondContact O-N 3.29Å; T262-M265 HydrophobicContact CG2-CE 4.43Å; T262-M265 PolarHBondContact O-N 3.37Å; T262-M265 VanDerWaalsContact O-N 3.15Å; H263-M265 VanDerWaalsContact C-N 3.34Å; H263-M265 PolarHBondContact O-N 3.09Å; M265-S268 VanDerWaalsContact O-O 3.11Å; M265-P272 HydrophobicContact SD-CB 3.52Å; M265-P272 VanDerWaalsContact SD-CB 3.52Å; M265-P272 HydrophobicContact SD-CG 3.93Å; M265-Y274 HydrophobicContact CE-CE1 4.34Å; M265-P633 HydrophobicContact CB-CB 3.98Å; M265-P633 HydrophobicContact CB-CG 4.03Å; M265-P633 HydrophobicContact SD-CG 4.39Å; M265-Y634 WeakPolarHBondContact O-CB 3.45Å; M265-Y634 PolarHBondContact O-N 2.79Å; M265-Y634 VanDerWaalsContact O-N 3.13Å
266M98.7Very high98.2Very high30 Ų3026.5 Ų26.515%0.14813%0.127CC..Hα-helixtrans-77.1-27.3174.2-67.7162.165.200112.4T262 H263 L264 P633 Y634 F637 P674T262-M266 HydrophobicContact CG2-SD 4.22Å; T262-M266 WeakPolarHBondContact O-CG 3.35Å; T262-M266 PolarHBondContact O-N 3.43Å; H263-M266 PolarHBondContact O-N 2.93Å; L264-M266 VanDerWaalsContact C-N 3.29Å; L264-M266 PolarHBondContact O-N 2.95Å; M266-P633 HydrophobicContact CG-CB 4.03Å; M266-Y634 WeakPolarHBondContact O-CD2 3.47Å; M266-F637 HydrophobicContact CB-CB 4.13Å; M266-F637 HydrophobicContact CB-CD1 4.3Å; M266-F637 HydrophobicContact CB-CG 4.18Å; M266-F637 HydrophobicContact CE-CB 4.29Å; M266-F637 HydrophobicContact CE-CD2 3.41Å; M266-F637 VanDerWaalsContact CE-CD2 3.41Å; M266-F637 HydrophobicContact CE-CE2 3.81Å; M266-F637 HydrophobicContact CE-CG 3.86Å; M266-F637 HydrophobicContact CG-CB 4.34Å; M266-P674 HydrophobicContact CG-CG 4.34Å; M266-P674 HydrophobicContact SD-CG 4.1Å
267M98.8Very high98.2Very high77 Ų7727.1 Ų27.138%0.37913%0.132SC..Hα-helixtrans-90.4-26.3179.3-66.7-179.7-54.300113.5K238 M242 H263 L264K238-M267 HydrophobicContact CB-CE 4.3Å; K238-M267 HydrophobicContact CD-CE 3.47Å; K238-M267 VanDerWaalsContact CD-CE 3.47Å; K238-M267 HydrophobicContact CD-SD 4.41Å; K238-M267 HydrophobicContact CG-CE 3.62Å; M242-M267 HydrophobicContact CE-CB 3.83Å; M242-M267 HydrophobicContact CE-CE 3.53Å; M242-M267 HydrophobicContact CE-SD 3.93Å; H263-M267 WeakPolarHBondContact O-CE 3.29Å; H263-M267 VanDerWaalsContact O-CG 3.26Å; H263-M267 WeakPolarHBondContact O-CG 3.41Å; H263-M267 PolarHBondContact O-N 3.37Å; L264-M267 PolarHBondContact O-N 3.23Å
268S98.7Very high98.3Very high16 Ų1628.9 Ų28.911%0.11214%0.143CC..SBendtrans-111.5130.3-174.3-42.70000109.9L264 M265 V270L264-S268 WeakPolarHBondContact CD1-OG 3.28Å; L264-S268 WeakPolarHBondContact O-CB 3.44Å; L264-S268 PolarHBondContact O-N 2.97Å; L264-S268 PolarHBondContact O-OG 3.48Å; M265-S268 VanDerWaalsContact O-O 3.11Å; S268-V270 VanDerWaalsContact C-N 3.27Å; S268-V270 PolarHBondContact O-N 3.3Å
269D98.8Very high98.4Very high70 Ų7026.5 Ų26.537%0.37413%0.131SC..  trans-74.178.8177.9-173.420.9000111A247 G248 Y634A247-D269 CarbonylContact C-O 3.56Å; A247-D269 VanDerWaalsContact CA-O 3.31Å; A247-D269 WeakPolarHBondContact CA-O 3.3Å; A247-D269 HydrophobicContact CB-CB 4.2Å; G248-D269 PolarHBondContact N-O 2.91Å; D269-Y634 HydrophobicContact CB-CD1 3.76Å; D269-Y634 HydrophobicContact CB-CD2 4.32Å; D269-Y634 HydrophobicContact CB-CE1 3.71Å; D269-Y634 HydrophobicContact CB-CE2 4.28Å; D269-Y634 HydrophobicContact CB-CG 4.07Å; D269-Y634 WeakPolarHBondContact OD1-CD1 3.39Å
270V98.8Very high98.5Very high1 Ų121.8 Ų21.81%0.00611%0.111CC..  trans-129.5153.1-176.7-60.70000111.1A245 S249 I251 S268 P272 T632A245-V270 HydrophobicContact CB-CG1 3.97Å; S249-V270 WeakPolarHBondContact O-CA 3.44Å; I251-V270 HydrophobicContact CD1-CG2 3.93Å; I251-V270 HydrophobicContact CG1-CG2 4.3Å; S268-V270 VanDerWaalsContact C-N 3.27Å; S268-V270 PolarHBondContact O-N 3.3Å; V270-P272 WeakPolarHBondContact O-CD 3.15Å; V270-T632 WeakPolarHBondContact O-CG2 3.14Å
271T98.8Very high98.4Very high12 Ų1223 Ų237%0.07412%0.121CC..EExtended strand (participates in β ladder)trans-97.4112.8175.7-56.60000110S249 T250 I251 T305 A308 M629S249-T271 PolarHBondContact O-N 3.49Å; T250-T271 WeakPolarHBondContact CA-O 3.49Å; T250-T271 WeakPolarHBondContact CG2-O 3.29Å; I251-T271 PolarHBondContact N-O 2.88Å; T271-T305 HydrophobicContact CG2-CG2 3.76Å; T271-A308 HydrophobicContact CG2-CB 4.29Å; T271-M629 HydrophobicContact CG2-CE 4.18Å
272P98.8Very high98.3Very high3 Ų324.7 Ų24.72%0.01913%0.128CC..EExtended strand (participates in β ladder)trans-84.3134.1178.632.3-32.5000112.1I251 I253 M265 V270 Y274 M629 P633I251-P272 HydrophobicContact CG1-CB 4.38Å; I253-P272 HydrophobicContact CG2-CB 3.95Å; M265-P272 HydrophobicContact SD-CB 3.52Å; M265-P272 VanDerWaalsContact SD-CB 3.52Å; M265-P272 HydrophobicContact SD-CG 3.93Å; V270-P272 WeakPolarHBondContact O-CD 3.15Å; P272-Y274 HydrophobicContact CB-CE1 4.43Å; P272-Y274 HydrophobicContact CB-CE2 4.3Å; P272-Y274 HydrophobicContact CG-CE2 4.24Å; P272-M629 HydrophobicContact CG-SD 3.71Å; P272-P633 HydrophobicContact CG-CG 4.45Å
273I98.8Very high98.2Very high6 Ų624.7 Ų24.73%0.03113%0.128CC..EExtended strand (participates in β ladder)trans-111.9122.4162.6-63.4179.1000107.4T250 I251 L252 I253 R301 V302 T305 A308T250-I273 HydrophobicContact CG2-CD1 3.69Å; T250-I273 HydrophobicContact CG2-CG1 3.93Å; I251-I273 PolarHBondContact O-N 3.5Å; L252-I273 WeakPolarHBondContact CA-O 3.33Å; L252-I273 HydrophobicContact CD2-CB 3.89Å; L252-I273 HydrophobicContact CD2-CG2 3.66Å; I253-I273 PolarHBondContact N-O 2.95Å; I273-R301 HydrophobicContact CD1-CB 4.42Å; I273-R301 HydrophobicContact CG2-CB 3.82Å; I273-R301 HydrophobicContact CG2-CG 4.39Å; I273-V302 HydrophobicContact CD1-CB 4.39Å; I273-V302 HydrophobicContact CD1-CG2 3.72Å; I273-T305 HydrophobicContact CG1-CG2 4.32Å; I273-A308 HydrophobicContact CD1-CB 4.14Å
274Y98.7Very high98.1Very high11 Ų1120.8 Ų20.84%0.04311%0.11CC..EExtended strand (participates in β ladder)trans-85.8125.8-174.5-62.9-77.5000112.3I253 R255 M265 P272 R301 L626 M673I253-Y274 HydrophobicContact CG2-CD1 3.61Å; I253-Y274 HydrophobicContact CG2-CE1 3.65Å; I253-Y274 HydrophobicContact CG2-CG 4.45Å; I253-Y274 CarbonylContact O-C 3.52Å; I253-Y274 VanDerWaalsContact O-CA 3.29Å; I253-Y274 WeakPolarHBondContact O-CA 3.28Å; R255-Y274 HydrophobicContact CB-CD1 4.49Å; R255-Y274 VanDerWaalsContact NH1-CE1 3.35Å; M265-Y274 HydrophobicContact CE-CE1 4.34Å; P272-Y274 HydrophobicContact CB-CE1 4.43Å; P272-Y274 HydrophobicContact CB-CE2 4.3Å; P272-Y274 HydrophobicContact CG-CE2 4.24Å; Y274-R301 PolarHBondContact O-NH1 2.97Å; Y274-R301 VanDerWaalsContact O-NH1 3.09Å; Y274-L626 HydrophobicContact CD2-CD1 4.47Å; Y274-M673 HydrophobicContact CE1-CE 4.1Å; Y274-M673 HydrophobicContact CE1-CG 4.34Å
275F98.6Very high98.1Very high1 Ų121.1 Ų21.10%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-66.4145.6157.8-69.4-55.5000109.6L252 I253 R255 P277 I288 E292 F293 A314 I316 L335L252-F275 HydrophobicContact CB-CD2 4.33Å; L252-F275 HydrophobicContact CB-CE1 4.41Å; L252-F275 HydrophobicContact CB-CE2 3.69Å; L252-F275 HydrophobicContact CB-CZ 3.75Å; L252-F275 HydrophobicContact CD1-CE1 4.03Å; L252-F275 HydrophobicContact CD1-CE2 4.49Å; L252-F275 HydrophobicContact CD1-CZ 3.69Å; L252-F275 HydrophobicContact CD2-CD1 4.34Å; L252-F275 HydrophobicContact CD2-CE1 3.99Å; L252-F275 HydrophobicContact CD2-CZ 4.18Å; L252-F275 HydrophobicContact CG-CE1 4.38Å; L252-F275 HydrophobicContact CG-CE2 4.5Å; L252-F275 HydrophobicContact CG-CZ 4.09Å; I253-F275 PolarHBondContact O-N 2.51Å; R255-F275 VanDerWaalsContact CB-O 3.28Å; R255-F275 WeakPolarHBondContact CB-O 3.41Å; R255-F275 PolarHBondContact N-O 3.26Å; F275-P277 WeakPolarHBondContact O-CD 3.4Å; F275-I288 HydrophobicContact CB-CD1 3.52Å; F275-I288 HydrophobicContact CB-CG1 3.86Å; F275-I288 HydrophobicContact CB-CG2 4.02Å; F275-I288 HydrophobicContact CD1-CG2 4.22Å; F275-I288 HydrophobicContact CD2-CD1 3.94Å; F275-I288 HydrophobicContact CG-CD1 3.89Å; F275-I288 HydrophobicContact CG-CG2 4.27Å; F275-E292 HydrophobicContact CD1-CB 4.08Å; F275-E292 WeakPolarHBondContact CE1-O 3.25Å; F275-F293 AromaticContact CE1-CD1 3.91Å; F275-F293 HydrophobicContact CE1-CD1 3.91Å; F275-F293 HydrophobicContact CE1-CE1 4.07Å; F275-F293 HydrophobicContact CE2-CE1 4.09Å; F275-F293 AromaticContact CZ-CD1 3.8Å; F275-F293 HydrophobicContact CZ-CD1 3.8Å; F275-F293 AromaticContact CZ-CE1 3.82Å; F275-F293 HydrophobicContact CZ-CE1 3.82Å; F275-A314 HydrophobicContact CE2-CB 4.45Å; F275-I316 HydrophobicContact CD2-CG1 4.32Å; F275-I316 HydrophobicContact CE2-CD1 4.4Å; F275-I316 HydrophobicContact CE2-CG1 3.97Å; F275-L335 HydrophobicContact CZ-CD1 4.15Å; F275-L335 HydrophobicContact CZ-CD2 4.22Å
276R97.9Very high98Very high52 Ų5221.1 Ų21.120%0.19611%0.112CC..  trans-107.4109.4-179-50.1-64.9-59.3-72.6-6110.2P289 E292 F623 E624 L626R276-P289 WeakPolarHBondContact O-CD 3.37Å; R276-E292 WeakPolarHBondContact CB-OE1 3.43Å; R276-E292 WeakPolarHBondContact CG-OE1 3.42Å; R276-F623 PolarHBondContact NH2-O 3.38Å; R276-E624 PolarHBondContact NH2-O 2.82Å; R276-L626 VanDerWaalsContact CZ-CG 3.49Å
277P98Very high97.9Very high28 Ų2819.8 Ų19.818%0.18211%0.106CC..  trans-67153.4168.5-18.531.4000111.5D254 R255 N256 F275 L285 I288D254-P277 VanDerWaalsContact OD1-CG 3.3Å; D254-P277 WeakPolarHBondContact OD1-CG 3.4Å; R255-P277 HydrophobicContact CB-CG 4.5Å; N256-P277 HydrophobicContact CB-CG 3.79Å; F275-P277 WeakPolarHBondContact O-CD 3.4Å; P277-L285 HydrophobicContact CB-CD2 4.15Å; P277-L285 HydrophobicContact CG-CD2 4.33Å; P277-I288 HydrophobicContact CG-CG1 4.44Å
278T97.8Very high97.9Very high42 Ų4216.1 Ų16.126%0.2589%0.088SC..  trans-82.3171.4166.152.80000111.4G286 G287 P289T278-G286 PolarHBondContact O-N 3.07Å; T278-G286 WeakPolarHBondContact OG1-CA 3.38Å; T278-G287 PolarHBondContact N-O 2.64Å; T278-G287 PolarHBondContact OG1-N 3.32Å; T278-G287 PolarHBondContact OG1-O 3.33Å; T278-P289 HydrophobicContact CG2-CG 3.69Å
279R97.6Very high97.9Very high15 Ų1517 Ų176%0.0579%0.093CC..BIsolated β-bridgetrans-149.5160171.957173.149.4-94.80.3112.5G283 I284 Y620 F623R279-G283 PolarHBondContact NH1-O 3.09Å; R279-I284 WeakPolarHBondContact CA-O 3.46Å; R279-Y620 HydrophobicContact CG-CD2 3.81Å; R279-Y620 HydrophobicContact CG-CE2 3.83Å; R279-F623 VanDerWaalsContact NE-CB 3.28Å
280N97.3Very high97.9Very high3 Ų315.7 Ų15.72%0.0168%0.084CC..  trans-106.4176.7169.470.715000111.4Y282 G283 I284 H487 F489N280-Y282 VanDerWaalsContact C-N 3.26Å; N280-Y282 PolarHBondContact O-N 3.24Å; N280-Y282 WeakPolarHBondContact OD1-CB 3.38Å; N280-Y282 PolarHBondContact OD1-N 3.3Å; N280-Y282 VanDerWaalsContact OD1-N 3.14Å; N280-G283 PolarHBondContact O-N 2.94Å; N280-G283 PolarHBondContact OD1-N 3.36Å; N280-I284 PolarHBondContact N-O 2.96Å; N280-I284 VanDerWaalsContact N-O 3.1Å; N280-I284 WeakPolarHBondContact OD1-CB 3.34Å; N280-I284 PolarHBondContact OD1-N 3.23Å; N280-I284 VanDerWaalsContact OD1-N 3.14Å; N280-H487 PolarHBondContact ND2-O 3.02Å; N280-F489 HydrophobicContact CB-CD1 3.96Å; N280-F489 HydrophobicContact CB-CE1 3.87Å
281A96.6Very high97.9Very high28 Ų2818.3 Ų18.323%0.23110%0.103CC..THydrogen-bonded Turntrans-64.6-26-177.400000113.7G283 M511A281-G283 PolarHBondContact O-N 3Å; A281-M511 HydrophobicContact CB-CE 3.55Å; A281-M511 WeakPolarHBondContact O-CE 3.44Å
282Y96.6Very high97.9Very high35 Ų3518.5 Ų18.514%0.13710%0.103CC..THydrogen-bonded Turntrans-69.5-8.8173.6-69-74.5000113.4N280 I284 L507 M511N280-Y282 VanDerWaalsContact C-N 3.26Å; N280-Y282 PolarHBondContact O-N 3.24Å; N280-Y282 WeakPolarHBondContact OD1-CB 3.38Å; N280-Y282 PolarHBondContact OD1-N 3.3Å; N280-Y282 VanDerWaalsContact OD1-N 3.14Å; Y282-I284 VanDerWaalsContact C-N 3.31Å; Y282-L507 HydrophobicContact CD1-CD2 4.16Å; Y282-L507 HydrophobicContact CD2-CD2 4.46Å; Y282-L507 HydrophobicContact CE1-CD2 3.99Å; Y282-L507 HydrophobicContact CE2-CD1 4.23Å; Y282-L507 HydrophobicContact CE2-CD2 4.32Å; Y282-L507 HydrophobicContact CG-CD2 4.39Å; Y282-M511 HydrophobicContact CD1-SD 3.69Å; Y282-M511 HydrophobicContact CE1-CB 3.86Å; Y282-M511 HydrophobicContact CE1-CG 4.2Å; Y282-M511 HydrophobicContact CE1-SD 3.88Å; Y282-M511 HydrophobicContact CG-SD 4.35Å
283G96Very high97.9Very high2 Ų218.4 Ų18.42%0.02110%0.102CC..  trans84.32.1-173.800000114.1R279 N280 A281 L285R279-G283 PolarHBondContact NH1-O 3.09Å; N280-G283 PolarHBondContact O-N 2.94Å; N280-G283 PolarHBondContact OD1-N 3.36Å; A281-G283 PolarHBondContact O-N 3Å; G283-L285 PolarHBondContact O-N 2.58Å
284I97.7Very high97.9Very high0 Ų022.5 Ų22.50%012%0.121CC..  trans-66.9130.2174.1-62.1169.2000108.3R279 N280 Y282 D322 W467 F489 T505 N545R279-I284 WeakPolarHBondContact CA-O 3.46Å; N280-I284 PolarHBondContact N-O 2.96Å; N280-I284 VanDerWaalsContact N-O 3.1Å; N280-I284 WeakPolarHBondContact OD1-CB 3.34Å; N280-I284 PolarHBondContact OD1-N 3.23Å; N280-I284 VanDerWaalsContact OD1-N 3.14Å; Y282-I284 VanDerWaalsContact C-N 3.31Å; I284-D322 HydrophobicContact CG2-CB 3.88Å; I284-W467 HydrophobicContact CD1-CD2 4.06Å; I284-W467 HydrophobicContact CD1-CE3 4.45Å; I284-W467 HydrophobicContact CD1-CG 4.3Å; I284-W467 HydrophobicContact CG2-CH2 4.15Å; I284-W467 HydrophobicContact CG2-CZ2 4.4Å; I284-F489 HydrophobicContact CG2-CZ 4.35Å; I284-T505 HydrophobicContact CD1-CG2 4.07Å; I284-N545 VanDerWaalsContact CG1-ND2 3.3Å; I284-N545 WeakPolarHBondContact CG1-ND2 3.47Å
285L97.7Very high97.9Very high12 Ų1227.2 Ų27.26%0.06314%0.144CC..BIsolated β-bridgetrans-79.3129.9175.7-82.377.6000110.2N256 P277 G283 P667 V669N256-L285 HydrophobicContact CB-CD2 3.65Å; P277-L285 HydrophobicContact CB-CD2 4.15Å; P277-L285 HydrophobicContact CG-CD2 4.33Å; G283-L285 PolarHBondContact O-N 2.58Å; L285-P667 HydrophobicContact CD1-CB 4.48Å; L285-V669 HydrophobicContact CD1-CG1 4.01Å; L285-V669 HydrophobicContact CD1-CG2 3.75Å; L285-V669 HydrophobicContact CD2-CB 4.32Å; L285-V669 HydrophobicContact CD2-CG1 3.8Å; L285-V669 HydrophobicContact CD2-CG2 4.07Å
286G97.4Very high97.9Very high0 Ų030.6 Ų30.60%017%0.171CC..  trans-82-166.6168.900000111.9T278 F489T278-G286 PolarHBondContact O-N 3.07Å; T278-G286 WeakPolarHBondContact OG1-CA 3.38Å; G286-F489 VanDerWaalsContact N-CE1 3.32Å
287G97.6Very high97.9Very high2 Ų229.9 Ų29.92%0.02117%0.173CC..PPolyproline II helixtrans-79.8162.3172.500000113T278 Y326T278-G287 PolarHBondContact N-O 2.64Å; T278-G287 PolarHBondContact OG1-N 3.32Å; T278-G287 PolarHBondContact OG1-O 3.33Å; G287-Y326 WeakPolarHBondContact CA-OH 3.4Å
288I98.7Very high98Very high0 Ų028.5 Ų28.50%016%0.164CC..PPolyproline II helixtrans-62.8124.4159.4-62.9159.5000108.3D254 F275 P277 E292 F293 I316 Y326 H496D254-I288 HydrophobicContact CB-CD1 4.3Å; F275-I288 HydrophobicContact CB-CD1 3.52Å; F275-I288 HydrophobicContact CB-CG1 3.86Å; F275-I288 HydrophobicContact CB-CG2 4.02Å; F275-I288 HydrophobicContact CD1-CG2 4.22Å; F275-I288 HydrophobicContact CD2-CD1 3.94Å; F275-I288 HydrophobicContact CG-CD1 3.89Å; F275-I288 HydrophobicContact CG-CG2 4.27Å; P277-I288 HydrophobicContact CG-CG1 4.44Å; I288-E292 HydrophobicContact CG2-CB 3.42Å; I288-E292 VanDerWaalsContact CG2-CB 3.42Å; I288-E292 HydrophobicContact CG2-CG 3.81Å; I288-F293 HydrophobicContact CB-CE2 3.93Å; I288-F293 HydrophobicContact CB-CZ 3.72Å; I288-F293 HydrophobicContact CD1-CE1 4.46Å; I288-F293 HydrophobicContact CD1-CZ 4.02Å; I288-F293 HydrophobicContact CG2-CD2 4.37Å; I288-F293 HydrophobicContact CG2-CE1 4.19Å; I288-F293 HydrophobicContact CG2-CE2 3.64Å; I288-F293 HydrophobicContact CG2-CZ 3.55Å; I288-I316 HydrophobicContact CD1-CG2 4.28Å; I288-Y326 HydrophobicContact CB-CE1 4.1Å; I288-Y326 WeakPolarHBondContact CG1-OH 3.48Å; I288-Y326 PolarHBondContact N-OH 2.88Å; I288-H496 PolarHBondContact O-CE1 2.98Å; I288-H496 PolarHBondContact O-NE2 2.86Å
289P98.6Very high98Very high33 Ų3328.2 Ų28.221%0.21417%0.166CC..PPolyproline II helixtrans-56.3151.8177.6-26.935.3000113.6R276 T278 S291 E292R276-P289 WeakPolarHBondContact O-CD 3.37Å; T278-P289 HydrophobicContact CG2-CG 3.69Å; P289-S291 PolarHBondContact O-N 2.75Å; P289-S291 VanDerWaalsContact O-N 3.14Å; P289-E292 HydrophobicContact CB-CG 4.48Å; P289-E292 WeakPolarHBondContact O-CB 3.3Å; P289-E292 PolarHBondContact O-N 3.19Å; P289-E292 VanDerWaalsContact O-N 3.09Å
290Q98.7Very high98Very high43 Ų4333.4 Ų33.420%0.20119%0.189CC..G310 helixtrans-57.6-31.8178.4-73.2-173.1-0.300112.9E292 F293 F330 D493 H496Q290-E292 VanDerWaalsContact C-N 3.26Å; Q290-E292 PolarHBondContact O-N 2.69Å; Q290-F293 PolarHBondContact O-N 3.15Å; Q290-F330 HydrophobicContact CB-CE1 3.86Å; Q290-F330 HydrophobicContact CB-CE2 4.41Å; Q290-F330 HydrophobicContact CB-CZ 3.61Å; Q290-F330 HydrophobicContact CG-CD1 4.22Å; Q290-F330 HydrophobicContact CG-CE1 3.69Å; Q290-F330 HydrophobicContact CG-CE2 4.25Å; Q290-F330 HydrophobicContact CG-CZ 3.7Å; Q290-D493 WeakPolarHBondContact CB-OD2 3.49Å; Q290-D493 HydrophobicContact CG-CB 3.91Å; Q290-D493 WeakPolarHBondContact CG-OD2 3.33Å; Q290-D493 PolarHBondContact N-OD2 2.93Å; Q290-H496 HydrophobicContact CG-CB 4.4Å; Q290-H496 WeakPolarHBondContact CG-ND1 3.45Å
291S98.5Very high98.1Very high56 Ų5635.9 Ų35.939%0.39220%0.198SC..G310 helixtrans-62.5-27.8178.858.50000113.9P289 F293 Q294 T297P289-S291 PolarHBondContact O-N 2.75Å; P289-S291 VanDerWaalsContact O-N 3.14Å; S291-F293 VanDerWaalsContact C-N 3.28Å; S291-F293 PolarHBondContact O-N 3.35Å; S291-Q294 WeakPolarHBondContact O-CB 3.49Å; S291-Q294 PolarHBondContact O-N 3.16Å; S291-T297 VanDerWaalsContact O-CB 3.29Å; S291-T297 WeakPolarHBondContact O-CB 3.35Å; S291-T297 PolarHBondContact O-OG1 2.86Å
292E98.6Very high98.2Very high17 Ų1735.6 Ų35.68%0.07919%0.193CC..G310 helixtrans-71.2-24.3179.3-69.2-79.9-156.600112.6F275 R276 I288 P289 Q290 Q294 R301F275-E292 HydrophobicContact CD1-CB 4.08Å; F275-E292 WeakPolarHBondContact CE1-O 3.25Å; R276-E292 WeakPolarHBondContact CB-OE1 3.43Å; R276-E292 WeakPolarHBondContact CG-OE1 3.42Å; I288-E292 HydrophobicContact CG2-CB 3.42Å; I288-E292 VanDerWaalsContact CG2-CB 3.42Å; I288-E292 HydrophobicContact CG2-CG 3.81Å; P289-E292 HydrophobicContact CB-CG 4.48Å; P289-E292 WeakPolarHBondContact O-CB 3.3Å; P289-E292 PolarHBondContact O-N 3.19Å; P289-E292 VanDerWaalsContact O-N 3.09Å; Q290-E292 VanDerWaalsContact C-N 3.26Å; Q290-E292 PolarHBondContact O-N 2.69Å; E292-Q294 VanDerWaalsContact C-N 3.33Å; E292-R301 IonicContact OE1-CZ 2.65Å; E292-R301 IonicContact OE1-NH2 3.89Å; E292-R301 PolarHBondContact OE1-NH2 3.49Å; E292-R301 IonicContact OE2-CZ 2.59Å; E292-R301 IonicContact OE2-NE 3.65Å; E292-R301 PolarHBondContact OE2-NE 3.36Å; E292-R301 VanDerWaalsContact OE2-NE 3.16Å; E292-R301 IonicContact OE2-NH2 2.99Å; E292-R301 PolarHBondContact OE2-NH2 3.34Å
293F98.7Very high98.3Very high0 Ų043 Ų430%023%0.226CC..G310 helixtrans-86.4-4.8177.9-58.7-69.2000113.4F275 I288 Q290 S291 I316 F330 I331 T334 L335F275-F293 AromaticContact CE1-CD1 3.91Å; F275-F293 HydrophobicContact CE1-CD1 3.91Å; F275-F293 HydrophobicContact CE1-CE1 4.07Å; F275-F293 HydrophobicContact CE2-CE1 4.09Å; F275-F293 AromaticContact CZ-CD1 3.8Å; F275-F293 HydrophobicContact CZ-CD1 3.8Å; F275-F293 AromaticContact CZ-CE1 3.82Å; F275-F293 HydrophobicContact CZ-CE1 3.82Å; I288-F293 HydrophobicContact CB-CE2 3.93Å; I288-F293 HydrophobicContact CB-CZ 3.72Å; I288-F293 HydrophobicContact CD1-CE1 4.46Å; I288-F293 HydrophobicContact CD1-CZ 4.02Å; I288-F293 HydrophobicContact CG2-CD2 4.37Å; I288-F293 HydrophobicContact CG2-CE1 4.19Å; I288-F293 HydrophobicContact CG2-CE2 3.64Å; I288-F293 HydrophobicContact CG2-CZ 3.55Å; Q290-F293 PolarHBondContact O-N 3.15Å; S291-F293 VanDerWaalsContact C-N 3.28Å; S291-F293 PolarHBondContact O-N 3.35Å; F293-I316 HydrophobicContact CD1-CD1 4.44Å; F293-I316 HydrophobicContact CE1-CD1 3.57Å; F293-I316 HydrophobicContact CE1-CG1 4.2Å; F293-I316 HydrophobicContact CZ-CD1 4.23Å; F293-F330 HydrophobicContact CB-CE1 4.26Å; F293-F330 AromaticContact CD2-CE1 3.99Å; F293-F330 HydrophobicContact CD2-CE1 3.99Å; F293-F330 HydrophobicContact CG-CE1 4.47Å; F293-I331 HydrophobicContact CD1-CG2 4.5Å; F293-I331 HydrophobicContact CE1-CG1 4.44Å; F293-I331 HydrophobicContact CE1-CG2 4.46Å; F293-I331 HydrophobicContact CE2-CD1 4.45Å; F293-I331 HydrophobicContact CE2-CG1 4.26Å; F293-I331 HydrophobicContact CZ-CD1 4.1Å; F293-I331 HydrophobicContact CZ-CG1 4.21Å; F293-T334 HydrophobicContact CB-CG2 4.44Å; F293-L335 HydrophobicContact CD1-CB 4.47Å; F293-L335 HydrophobicContact CD1-CD1 4.39Å; F293-L335 HydrophobicContact CD1-CD2 4.21Å
294Q98.6Very high98.4Very high93 Ų9348.9 Ų48.944%0.43525%0.253SS..SBendtrans-78.6139.2-178-63.8179.6-2.400111.3S291 E292 A296 T297 I298S291-Q294 WeakPolarHBondContact O-CB 3.49Å; S291-Q294 PolarHBondContact O-N 3.16Å; E292-Q294 VanDerWaalsContact C-N 3.33Å; Q294-A296 PolarHBondContact O-N 3.28Å; Q294-A296 VanDerWaalsContact O-N 3.11Å; Q294-T297 PolarHBondContact O-N 2.79Å; Q294-T297 VanDerWaalsContact O-N 3.08Å; Q294-I298 PolarHBondContact O-N 2.84Å
295H98.6Very high98.4Very high110 Ų11050.2 Ų50.251%0.50926%0.261SS..Hα-helixtrans-48.8-42.7177.9180-45.3000112.6T297 I298 A299 W310 D336H295-T297 PolarHBondContact O-N 2.74Å; H295-I298 PolarHBondContact O-N 2.71Å; H295-A299 VanDerWaalsContact O-CB 3.25Å; H295-A299 WeakPolarHBondContact O-CB 3.02Å; H295-A299 PolarHBondContact O-N 3.2Å; H295-W310 HydrophobicContact CB-CH2 4.42Å; H295-W310 AromaticContact CG-CH2 3.87Å; H295-W310 AromaticContact ND1-CH2 3.85Å; H295-D336 IonicContact CD2-OD2 2.76Å; H295-D336 PolarHBondContact CD2-OD2 3.31Å; H295-D336 IonicContact CG-OD2 3.23Å; H295-D336 IonicContact NE2-OD2 3.68Å
296A98.6Very high98.4Very high71 Ų7154 Ų5459%0.58729%0.286SS*.Hα-helixtrans-63.2-42.2-177.300000112.7Q294 K300Q294-A296 PolarHBondContact O-N 3.28Å; Q294-A296 VanDerWaalsContact O-N 3.11Å; A296-K300 WeakPolarHBondContact O-CB 3.42Å; A296-K300 PolarHBondContact O-N 3.27Å; A296-K300 VanDerWaalsContact O-N 3.08Å
297T98.6Very high98.4Very high37 Ų3761 Ų6123%0.22732%0.324CS..Hα-helixtrans-64.2-46.1177.3-550000110.8S291 Q294 H295 K300 R301S291-T297 VanDerWaalsContact O-CB 3.29Å; S291-T297 WeakPolarHBondContact O-CB 3.35Å; S291-T297 PolarHBondContact O-OG1 2.86Å; Q294-T297 PolarHBondContact O-N 2.79Å; Q294-T297 VanDerWaalsContact O-N 3.08Å; H295-T297 PolarHBondContact O-N 2.74Å; T297-K300 PolarHBondContact O-N 3.32Å; T297-R301 WeakPolarHBondContact O-CG 3.12Å; T297-R301 PolarHBondContact O-N 3.33Å; T297-R301 VanDerWaalsContact O-N 3.08Å
298I98.7Very high98.4Very high0 Ų061.8 Ų61.80%033%0.33CS..Hα-helixtrans-64.9-46.9179.7-60.7164.3000110.4L252 Q294 H295 K300 R301 V302 W310 P311 L335L252-I298 HydrophobicContact CD1-CD1 3.82Å; L252-I298 HydrophobicContact CD1-CG1 4.03Å; L252-I298 HydrophobicContact CD1-CG2 4Å; Q294-I298 PolarHBondContact O-N 2.84Å; H295-I298 PolarHBondContact O-N 2.71Å; I298-K300 VanDerWaalsContact C-N 3.28Å; I298-K300 PolarHBondContact O-N 2.92Å; I298-R301 PolarHBondContact O-N 3.44Å; I298-R301 VanDerWaalsContact O-N 3.14Å; I298-V302 HydrophobicContact CG2-CG2 4.23Å; I298-V302 VanDerWaalsContact O-CG2 3.29Å; I298-V302 WeakPolarHBondContact O-CG2 3.36Å; I298-V302 PolarHBondContact O-N 3.5Å; I298-W310 HydrophobicContact CB-CH2 3.78Å; I298-W310 HydrophobicContact CB-CZ2 4.48Å; I298-W310 HydrophobicContact CB-CZ3 4.15Å; I298-W310 HydrophobicContact CG2-CE3 4.31Å; I298-W310 HydrophobicContact CG2-CH2 3.58Å; I298-W310 HydrophobicContact CG2-CZ2 4.02Å; I298-W310 HydrophobicContact CG2-CZ3 3.74Å; I298-P311 HydrophobicContact CG2-CG 3.8Å; I298-L335 HydrophobicContact CD1-CD1 3.55Å
299A98.7Very high98.4Very high35 Ų3565.3 Ų65.329%0.28935%0.352SS..Hα-helixtrans-58.4-39.7178.400000112.5H295 K303 W310H295-A299 VanDerWaalsContact O-CB 3.25Å; H295-A299 WeakPolarHBondContact O-CB 3.02Å; H295-A299 PolarHBondContact O-N 3.2Å; A299-K303 PolarHBondContact O-N 2.85Å; A299-K303 VanDerWaalsContact O-N 3.1Å; A299-W310 HydrophobicContact CB-CZ3 3.98Å
300K98.7Very high98.4Very high125 Ų12567.8 Ų67.854%0.54336%0.357SS..Hα-helixtrans-62.4-51.1174.4-179.6-178.6172.9-175.50111.2A296 T297 I298 V302 K303 E304A296-K300 WeakPolarHBondContact O-CB 3.42Å; A296-K300 PolarHBondContact O-N 3.27Å; A296-K300 VanDerWaalsContact O-N 3.08Å; T297-K300 PolarHBondContact O-N 3.32Å; I298-K300 VanDerWaalsContact C-N 3.28Å; I298-K300 PolarHBondContact O-N 2.92Å; K300-V302 VanDerWaalsContact C-N 3.33Å; K300-V302 PolarHBondContact O-N 3.02Å; K300-K303 WeakPolarHBondContact O-CB 3.33Å; K300-K303 PolarHBondContact O-N 3.39Å; K300-K303 VanDerWaalsContact O-N 3.12Å; K300-E304 WeakPolarHBondContact CE-OE1 3.43Å; K300-E304 WeakPolarHBondContact CG-OE1 3.32Å; K300-E304 IonicContact NZ-OE1 3.1Å; K300-E304 WeakPolarHBondContact O-CG 3.5Å; K300-E304 PolarHBondContact O-N 2.71Å
301R98.4Very high98.4Very high55 Ų5565.9 Ų65.921%0.20835%0.349CS..Hα-helixtrans-60.7-40179.2-70.2176.8-179.4-99.8-1.1112.5I273 Y274 E292 T297 I298 K303 E304 T305I273-R301 HydrophobicContact CD1-CB 4.42Å; I273-R301 HydrophobicContact CG2-CB 3.82Å; I273-R301 HydrophobicContact CG2-CG 4.39Å; Y274-R301 PolarHBondContact O-NH1 2.97Å; Y274-R301 VanDerWaalsContact O-NH1 3.09Å; E292-R301 IonicContact OE1-CZ 2.65Å; E292-R301 IonicContact OE1-NH2 3.89Å; E292-R301 PolarHBondContact OE1-NH2 3.49Å; E292-R301 IonicContact OE2-CZ 2.59Å; E292-R301 IonicContact OE2-NE 3.65Å; E292-R301 PolarHBondContact OE2-NE 3.36Å; E292-R301 VanDerWaalsContact OE2-NE 3.16Å; E292-R301 IonicContact OE2-NH2 2.99Å; E292-R301 PolarHBondContact OE2-NH2 3.34Å; T297-R301 WeakPolarHBondContact O-CG 3.12Å; T297-R301 PolarHBondContact O-N 3.33Å; T297-R301 VanDerWaalsContact O-N 3.08Å; I298-R301 PolarHBondContact O-N 3.44Å; I298-R301 VanDerWaalsContact O-N 3.14Å; R301-K303 VanDerWaalsContact C-N 3.35Å; R301-E304 PolarHBondContact O-N 2.86Å; R301-T305 WeakPolarHBondContact O-CB 3.22Å; R301-T305 PolarHBondContact O-N 2.83Å; R301-T305 PolarHBondContact O-OG1 3.12Å
302V98.5Very high98.4Very high21 Ų2164.8 Ų64.813%0.12734%0.339CS..Hα-helixtrans-59-46.5173.91700000110.5I273 I298 K300 E304 T305 A308 W310 P311I273-V302 HydrophobicContact CD1-CB 4.39Å; I273-V302 HydrophobicContact CD1-CG2 3.72Å; I298-V302 HydrophobicContact CG2-CG2 4.23Å; I298-V302 VanDerWaalsContact O-CG2 3.29Å; I298-V302 WeakPolarHBondContact O-CG2 3.36Å; I298-V302 PolarHBondContact O-N 3.5Å; K300-V302 VanDerWaalsContact C-N 3.33Å; K300-V302 PolarHBondContact O-N 3.02Å; V302-E304 VanDerWaalsContact C-N 3.29Å; V302-E304 PolarHBondContact O-N 2.95Å; V302-T305 PolarHBondContact O-N 2.85Å; V302-A308 HydrophobicContact CG1-CB 4.26Å; V302-W310 HydrophobicContact CG2-CE3 4.48Å; V302-P311 HydrophobicContact CG2-CG 4.37Å
303K98.5Very high98.4Very high190 Ų19064 Ų6483%0.82634%0.336SS*.Hα-helixtrans-64.3-33.2178.2-176.8177.8177.6175.30113.1A299 K300 R301A299-K303 PolarHBondContact O-N 2.85Å; A299-K303 VanDerWaalsContact O-N 3.1Å; K300-K303 WeakPolarHBondContact O-CB 3.33Å; K300-K303 PolarHBondContact O-N 3.39Å; K300-K303 VanDerWaalsContact O-N 3.12Å; R301-K303 VanDerWaalsContact C-N 3.35Å
304E97.9Very high98.4Very high126 Ų12664 Ų6459%0.58934%0.336SS*.Hα-helixtrans-84.5-13.8-178.4-70.2169.9173.800113.2K300 R301 V302K300-E304 WeakPolarHBondContact CE-OE1 3.43Å; K300-E304 WeakPolarHBondContact CG-OE1 3.32Å; K300-E304 IonicContact NZ-OE1 3.1Å; K300-E304 WeakPolarHBondContact O-CG 3.5Å; K300-E304 PolarHBondContact O-N 2.71Å; R301-E304 PolarHBondContact O-N 2.86Å; V302-E304 VanDerWaalsContact C-N 3.29Å; V302-E304 PolarHBondContact O-N 2.95Å
305T97.9Very high98.4Very high29 Ų2959.6 Ų59.618%0.17832%0.315CS..SBendtrans-99.4121.5-177.6-55.30000110.5T271 I273 R301 V302 N307 A308 M629T271-T305 HydrophobicContact CG2-CG2 3.76Å; I273-T305 HydrophobicContact CG1-CG2 4.32Å; R301-T305 WeakPolarHBondContact O-CB 3.22Å; R301-T305 PolarHBondContact O-N 2.83Å; R301-T305 PolarHBondContact O-OG1 3.12Å; V302-T305 PolarHBondContact O-N 2.85Å; T305-N307 PolarHBondContact O-N 3.25Å; T305-A308 HydrophobicContact CG2-CB 3.95Å; T305-A308 WeakPolarHBondContact O-CB 3.3Å; T305-A308 PolarHBondContact O-N 3.33Å; T305-M629 HydrophobicContact CG2-CE 3.82Å
306P97.1Very high98.5Very high90 Ų9054.3 Ų54.358%0.58429%0.291SS*.THydrogen-bonded Turntrans-54.9137.1176.3-26.135.2000112.2A308P306-A308 PolarHBondContact O-N 3.09Å
307N97.5Very high98.5Very high147 Ų14751.6 Ų51.679%0.78627%0.267SS*.THydrogen-bonded Turntrans62.16.7179-56.988.3000115.6T305T305-N307 PolarHBondContact O-N 3.25Å
308A98.3Very high98.5Very high20 Ų2049.8 Ų49.817%0.16526%0.256CS..  trans-76.2139.8179.700000112.3T250 T271 I273 V302 T305 P306T250-A308 HydrophobicContact CG2-CB 4.12Å; T250-A308 VanDerWaalsContact OG1-CA 3.31Å; T250-A308 WeakPolarHBondContact OG1-CA 3.3Å; T271-A308 HydrophobicContact CG2-CB 4.29Å; I273-A308 HydrophobicContact CD1-CB 4.14Å; V302-A308 HydrophobicContact CG1-CB 4.26Å; T305-A308 HydrophobicContact CG2-CB 3.95Å; T305-A308 WeakPolarHBondContact O-CB 3.3Å; T305-A308 PolarHBondContact O-N 3.33Å; P306-A308 PolarHBondContact O-N 3.09Å
309T98.4Very high98.5Very high74 Ų7449.8 Ų49.845%0.45426%0.256SS..  trans-111179.3166.562.80000109.4T250T250-T309 VanDerWaalsContact CB-O 3.29Å; T250-T309 WeakPolarHBondContact CB-O 3.39Å; T250-T309 WeakPolarHBondContact CG2-O 3.47Å; T250-T309 PolarHBondContact OG1-N 3.45Å; T250-T309 PolarHBondContact OG1-O 2.89Å
310W98.7Very high98.5Very high85 Ų8548.2 Ų48.232%0.32224%0.242SC..SBendtrans-56.4136170.1-168.4-101.4000110.6H295 I298 A299 V302 V312 D336H295-W310 HydrophobicContact CB-CH2 4.42Å; H295-W310 AromaticContact CG-CH2 3.87Å; H295-W310 AromaticContact ND1-CH2 3.85Å; I298-W310 HydrophobicContact CB-CH2 3.78Å; I298-W310 HydrophobicContact CB-CZ2 4.48Å; I298-W310 HydrophobicContact CB-CZ3 4.15Å; I298-W310 HydrophobicContact CG2-CE3 4.31Å; I298-W310 HydrophobicContact CG2-CH2 3.58Å; I298-W310 HydrophobicContact CG2-CZ2 4.02Å; I298-W310 HydrophobicContact CG2-CZ3 3.74Å; A299-W310 HydrophobicContact CB-CZ3 3.98Å; V302-W310 HydrophobicContact CG2-CE3 4.48Å; W310-V312 PolarHBondContact O-N 3.14Å; W310-D336 VanDerWaalsContact CZ2-CG 3.43Å; W310-D336 WeakPolarHBondContact CZ2-OD1 3.15Å; W310-D336 WeakPolarHBondContact CZ2-OD2 3.37Å; W310-D336 PolarHBondContact NE1-O 3.33Å
311P98.8Very high98.4Very high3 Ų345.4 Ų45.42%0.01923%0.229CC..  trans-62.2132.5-176.5-24.935.6000112.5T250 L252 I298 V302 V337T250-P311 HydrophobicContact CG2-CG 4.35Å; T250-P311 VanDerWaalsContact O-CA 3.29Å; T250-P311 WeakPolarHBondContact O-CA 3.25Å; L252-P311 HydrophobicContact CD1-CB 3.94Å; L252-P311 HydrophobicContact CD1-CG 3.71Å; L252-P311 HydrophobicContact CD2-CG 4.46Å; L252-P311 HydrophobicContact CG-CB 3.86Å; L252-P311 HydrophobicContact CG-CG 3.65Å; I298-P311 HydrophobicContact CG2-CG 3.8Å; V302-P311 HydrophobicContact CG2-CG 4.37Å; P311-V337 HydrophobicContact CB-CG2 4.14Å
312V98.8Very high98.4Very high32 Ų3243 Ų4319%0.19422%0.22CC..SBendtrans-93.7-21.2177.4-59.30000112.6T250 W310 K338 S339T250-V312 PolarHBondContact O-N 2.98Å; W310-V312 PolarHBondContact O-N 3.14Å; V312-K338 WeakPolarHBondContact O-CG 3.44Å; V312-S339 WeakPolarHBondContact O-CB 3.26Å
313H98.9Very high98.4Very high1 Ų142 Ų421%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-143.6141.6-177.3-174.353.8000110.4S244 I251 L252 V315 S339 H341S244-H313 WeakPolarHBondContact CB-ND1 3.2Å; I251-H313 WeakPolarHBondContact CA-O 3.47Å; I251-H313 HydrophobicContact CG2-CB 4.1Å; L252-H313 PolarHBondContact N-O 3Å; H313-V315 WeakPolarHBondContact NE2-CG2 3.22Å; H313-S339 CarbonylContact C-O 3.55Å; H313-S339 WeakPolarHBondContact CA-O 3.29Å; H313-S339 PolarHBondContact CE1-OG 3.01Å; H313-S339 PolarHBondContact ND1-O 3.21Å; H313-S339 PolarHBondContact ND1-OG 3.43Å; H313-H341 VanDerWaalsContact CE1-CB 3.45Å; H313-H341 WeakPolarHBondContact CE1-CB 3.29Å
314A98.9Very high98.4Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-128.8130.7176.100000110.9L252 F275 L335 V337 S339 I340 H341L252-A314 HydrophobicContact CB-CB 3.97Å; L252-A314 CarbonylContact O-C 3.49Å; L252-A314 WeakPolarHBondContact O-CA 3.37Å; F275-A314 HydrophobicContact CE2-CB 4.45Å; A314-L335 HydrophobicContact CB-CD2 3.7Å; A314-V337 HydrophobicContact CB-CB 4.31Å; A314-V337 HydrophobicContact CB-CG1 4.12Å; A314-V337 HydrophobicContact CB-CG2 4.41Å; A314-S339 PolarHBondContact N-O 3.25Å; A314-I340 CarbonylContact O-C 3.56Å; A314-I340 WeakPolarHBondContact O-CA 3.37Å; A314-H341 PolarHBondContact O-N 2.79Å
315V98.9Very high98.5Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-116.3125.9178.6-171.70000110.5L252 I253 D254 L261 H313 H341L252-V315 PolarHBondContact O-N 3.11Å; I253-V315 HydrophobicContact CG1-CB 4.46Å; D254-V315 PolarHBondContact N-O 2.9Å; L261-V315 HydrophobicContact CD1-CG1 3.65Å; L261-V315 HydrophobicContact CD2-CG1 3.92Å; L261-V315 HydrophobicContact CD2-CG2 4.48Å; L261-V315 HydrophobicContact CG-CG1 4.45Å; H313-V315 WeakPolarHBondContact NE2-CG2 3.22Å; V315-H341 CarbonylContact C-O 3.52Å; V315-H341 VanDerWaalsContact CA-O 3.29Å; V315-H341 WeakPolarHBondContact CA-O 3.09Å; V315-H341 HydrophobicContact CG2-CB 4.33Å
316I98.9Very high98.5Very high0 Ų025.6 Ų25.60%014%0.138CC..EExtended strand (participates in β ladder)trans-129.1128.7-177.8-59.8161.7000109.1F275 I288 F293 N318 Y326 I331 L335 I340 H341 F342 D343F275-I316 HydrophobicContact CD2-CG1 4.32Å; F275-I316 HydrophobicContact CE2-CD1 4.4Å; F275-I316 HydrophobicContact CE2-CG1 3.97Å; I288-I316 HydrophobicContact CD1-CG2 4.28Å; F293-I316 HydrophobicContact CD1-CD1 4.44Å; F293-I316 HydrophobicContact CE1-CD1 3.57Å; F293-I316 HydrophobicContact CE1-CG1 4.2Å; F293-I316 HydrophobicContact CZ-CD1 4.23Å; I316-N318 PolarHBondContact O-N 2.91Å; I316-Y326 HydrophobicContact CG2-CD2 4.29Å; I316-Y326 HydrophobicContact CG2-CE2 4.01Å; I316-I331 HydrophobicContact CD1-CD1 4.29Å; I316-I331 HydrophobicContact CD1-CG2 3.65Å; I316-L335 HydrophobicContact CD1-CD2 4.19Å; I316-I340 HydrophobicContact CD1-CG2 4.42Å; I316-H341 PolarHBondContact N-O 3.01Å; I316-F342 HydrophobicContact CB-CD1 4.05Å; I316-F342 HydrophobicContact CB-CE1 4.2Å; I316-F342 HydrophobicContact CD1-CE1 4.05Å; I316-F342 HydrophobicContact CG2-CD1 4.26Å; I316-F342 HydrophobicContact CG2-CE1 4.3Å; I316-F342 CarbonylContact O-C 3.52Å; I316-F342 VanDerWaalsContact O-CA 3.28Å; I316-F342 WeakPolarHBondContact O-CA 3.33Å; I316-D343 PolarHBondContact O-N 2.98Å
317T98.8Very high98.6Very high13 Ų1322.7 Ų22.78%0.0812%0.118CC..EExtended strand (participates in β ladder)trans-80.7108.6176.6-56.90000109.4D254 N256 Y326D254-T317 PolarHBondContact OD2-N 2.84Å; N256-T317 WeakPolarHBondContact O-CB 3.3Å; N256-T317 PolarHBondContact O-OG1 2.93Å; T317-Y326 WeakPolarHBondContact O-CE2 3.45Å
318N98.8Very high98.7Very high0 Ų015.7 Ų15.70%08%0.08CC..SBendtrans-131.5116.8-178.8-179.138.6000112I316 L325 Y326 T328 F342 D343 S344 V347 K359I316-N318 PolarHBondContact O-N 2.91Å; N318-L325 WeakPolarHBondContact OD1-CA 3.38Å; N318-Y326 HydrophobicContact CB-CD2 4.01Å; N318-Y326 PolarHBondContact OD1-N 3.32Å; N318-Y326 VanDerWaalsContact OD1-N 3.14Å; N318-T328 WeakPolarHBondContact ND2-CG2 3.47Å; N318-F342 HydrophobicContact CB-CB 4.47Å; N318-F342 HydrophobicContact CB-CD1 3.82Å; N318-D343 PolarHBondContact N-O 3.23Å; N318-D343 VanDerWaalsContact N-O 3.14Å; N318-S344 WeakPolarHBondContact O-CA 3.25Å; N318-S344 WeakPolarHBondContact O-CB 3.32Å; N318-S344 PolarHBondContact O-OG 3.25Å; N318-V347 WeakPolarHBondContact O-CG2 3.48Å; N318-K359 PolarHBondContact ND2-O 3.22Å
319S98.6Very high98.7Very high0 Ų018.7 Ų18.70%09%0.094CC..SBendcis-76.6170.4-2.359.60000113.5L324 V347S319-L324 VanDerWaalsContact CA-O 3.3Å; S319-L324 WeakPolarHBondContact CA-O 3.39Å; S319-L324 WeakPolarHBondContact CB-O 3.28Å; S319-V347 WeakPolarHBondContact OG-CG1 3.42Å
320T98.4Very high98.7Very high1 Ų117.1 Ų17.11%0.0068%0.081CC..  trans-60.7162.3162.973.70000110.6D322 G323 L324T320-D322 VanDerWaalsContact C-N 3.27Å; T320-D322 PolarHBondContact O-N 2.81Å; T320-G323 PolarHBondContact O-N 3.31Å; T320-L324 HydrophobicContact CG2-CB 4.06Å; T320-L324 PolarHBondContact N-O 3.22Å; T320-L324 WeakPolarHBondContact OG1-CB 3.43Å; T320-L324 PolarHBondContact OG1-N 2.94Å; T320-L324 VanDerWaalsContact OG1-N 3.1Å
321Y97.7Very high98.7Very high66 Ų6613.1 Ų13.126%0.2597%0.065SC..THydrogen-bonded Turntrans-54.2-43.5-179.3-161.1-79.3000112.8G323 W346 E539 K540 L547Y321-G323 PolarHBondContact O-N 3.23Å; Y321-W346 AromaticContact CD2-CE2 3.71Å; Y321-W346 AromaticContact CD2-CZ2 3.79Å; Y321-W346 HydrophobicContact CD2-CZ2 3.79Å; Y321-W346 AromaticContact CD2-NE1 3.35Å; Y321-W346 HydrophobicContact CE1-CZ2 4.49Å; Y321-W346 AromaticContact CE2-CE2 3.67Å; Y321-W346 HydrophobicContact CE2-CH2 4.18Å; Y321-W346 AromaticContact CE2-CZ2 3.23Å; Y321-W346 HydrophobicContact CE2-CZ2 3.23Å; Y321-W346 AromaticContact CE2-NE1 3.75Å; Y321-W346 AromaticContact CZ-CZ2 3.63Å; Y321-E539 HydrophobicContact CE1-CG 3.92Å; Y321-E539 WeakPolarHBondContact OH-CG 3.43Å; Y321-E539 PolarHBondContact OH-O 2.97Å; Y321-E539 PolarHBondContact OH-OE1 3.43Å; Y321-K540 HydrophobicContact CD1-CB 4.07Å; Y321-K540 HydrophobicContact CD1-CD 3.48Å; Y321-K540 VanDerWaalsContact CD1-CD 3.48Å; Y321-K540 HydrophobicContact CD1-CG 4.43Å; Y321-K540 HydrophobicContact CE1-CB 3.43Å; Y321-K540 VanDerWaalsContact CE1-CB 3.43Å; Y321-K540 HydrophobicContact CE1-CD 3.69Å; Y321-K540 HydrophobicContact CE1-CG 4.2Å; Y321-K540 HydrophobicContact CG-CD 4.23Å; Y321-L547 HydrophobicContact CD1-CD2 3.47Å; Y321-L547 VanDerWaalsContact CD1-CD2 3.47Å; Y321-L547 HydrophobicContact CE1-CD2 3.55Å; Y321-L547 WeakPolarHBondContact O-CD2 3.21Å
322D98.1Very high98.7Very high4 Ų413.6 Ų13.62%0.0217%0.067CC..THydrogen-bonded Turntrans-81.57.6-178.8-61-63.4000113.2I284 T320 K540I284-D322 HydrophobicContact CG2-CB 3.88Å; T320-D322 VanDerWaalsContact C-N 3.27Å; T320-D322 PolarHBondContact O-N 2.81Å; D322-K540 VanDerWaalsContact CG-NZ 3.34Å; D322-K540 IonicContact OD1-NZ 3.93Å; D322-K540 PolarHBondContact OD1-NZ 2.87Å; D322-K540 IonicContact OD2-NZ 3.21Å; D322-K540 PolarHBondContact OD2-NZ 3.33Å
323G98.5Very high98.7Very high0 Ų020.6 Ų20.60%010%0.095CC..  trans92.728.4169.400000116.5T320 Y321 D500T320-G323 PolarHBondContact O-N 3.31Å; Y321-G323 PolarHBondContact O-N 3.23Å; G323-D500 WeakPolarHBondContact O-CB 3.43Å; G323-D500 PolarHBondContact O-N 3.32Å
324L98.8Very high98.6Very high0 Ų022.5 Ų22.50%011%0.107CC..EExtended strand (participates in β ladder)trans-93.2113.2172.6-58.7179.1000111.2S319 T320 W467 L480 F489 M497 Y498 L499S319-L324 VanDerWaalsContact CA-O 3.3Å; S319-L324 WeakPolarHBondContact CA-O 3.39Å; S319-L324 WeakPolarHBondContact CB-O 3.28Å; T320-L324 HydrophobicContact CG2-CB 4.06Å; T320-L324 PolarHBondContact N-O 3.22Å; T320-L324 WeakPolarHBondContact OG1-CB 3.43Å; T320-L324 PolarHBondContact OG1-N 2.94Å; T320-L324 VanDerWaalsContact OG1-N 3.1Å; L324-W467 HydrophobicContact CD1-CH2 4.05Å; L324-W467 HydrophobicContact CD2-CH2 3.78Å; L324-W467 HydrophobicContact CD2-CZ3 3.95Å; L324-W467 HydrophobicContact CG-CH2 4.17Å; L324-W467 HydrophobicContact CG-CZ3 4.44Å; L324-L480 HydrophobicContact CD1-CD2 4.31Å; L324-L480 HydrophobicContact CD2-CD1 3.9Å; L324-L480 HydrophobicContact CD2-CD2 3.79Å; L324-F489 HydrophobicContact CD1-CE2 3.73Å; L324-F489 HydrophobicContact CD1-CZ 3.76Å; L324-M497 HydrophobicContact CB-CE 3.64Å; L324-Y498 WeakPolarHBondContact CA-O 3.5Å; L324-L499 HydrophobicContact CD2-CB 4.45Å; L324-L499 HydrophobicContact CD2-CD1 4.17Å
325L98.9Very high98.6Very high0 Ų022.5 Ų22.50%011%0.107CC..EExtended strand (participates in β ladder)trans-88.4141.3176.2-68.1152.9000110.2N318 V347 Y356 K359 C477 M497 Y498 D500N318-L325 WeakPolarHBondContact OD1-CA 3.38Å; L325-V347 HydrophobicContact CD2-CG1 4.06Å; L325-Y356 HydrophobicContact CD1-CD1 3.7Å; L325-Y356 HydrophobicContact CD1-CE1 3.85Å; L325-K359 HydrophobicContact CB-CB 4.13Å; L325-K359 HydrophobicContact CD1-CB 4.5Å; L325-K359 HydrophobicContact CD1-CD 4.43Å; L325-C477 HydrophobicContact CD1-CB 4.28Å; L325-M497 CarbonylContact O-C 3.41Å; L325-M497 WeakPolarHBondContact O-CA 3.36Å; L325-Y498 PolarHBondContact N-O 2.73Å; L325-Y498 PolarHBondContact O-N 3.47Å; L325-D500 HydrophobicContact CD1-CB 3.96Å
326Y98.9Very high98.6Very high1 Ų125.1 Ų25.10%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-85.2155.1174.2-70.5-92000112.2G287 I288 I316 T317 N318 T328 I331 K359 H496 M497G287-Y326 WeakPolarHBondContact CA-OH 3.4Å; I288-Y326 HydrophobicContact CB-CE1 4.1Å; I288-Y326 WeakPolarHBondContact CG1-OH 3.48Å; I288-Y326 PolarHBondContact N-OH 2.88Å; I316-Y326 HydrophobicContact CG2-CD2 4.29Å; I316-Y326 HydrophobicContact CG2-CE2 4.01Å; T317-Y326 WeakPolarHBondContact O-CE2 3.45Å; N318-Y326 HydrophobicContact CB-CD2 4.01Å; N318-Y326 PolarHBondContact OD1-N 3.32Å; N318-Y326 VanDerWaalsContact OD1-N 3.14Å; Y326-T328 PolarHBondContact O-N 3.19Å; Y326-I331 HydrophobicContact CD1-CD1 3.97Å; Y326-I331 HydrophobicContact CG-CD1 3.95Å; Y326-K359 WeakPolarHBondContact O-CA 3.34Å; Y326-H496 CarbonylContact C-O 3.35Å; Y326-M497 HydrophobicContact CD1-CE 3.92Å; Y326-M497 HydrophobicContact CD1-SD 3.43Å; Y326-M497 WeakPolarHBondContact CD1-SD 2.95Å; Y326-M497 HydrophobicContact CD2-CE 4.08Å; Y326-M497 HydrophobicContact CE1-CE 3.94Å; Y326-M497 HydrophobicContact CE1-SD 3.65Å; Y326-M497 HydrophobicContact CE2-CE 4.09Å; Y326-M497 HydrophobicContact CG-CE 4.01Å; Y326-M497 HydrophobicContact CG-SD 3.98Å
327N98.8Very high98.6Very high30 Ų3025.2 Ų25.216%0.1612%0.121CC..  trans-69.892157.9-173.5-19.4000109.3D329 F330 I331 E495 H496 Y498N327-D329 VanDerWaalsContact C-N 3.27Å; N327-D329 PolarHBondContact O-N 3.42Å; N327-D329 PolarHBondContact OD1-N 3.38Å; N327-F330 HydrophobicContact CB-CB 4.12Å; N327-F330 WeakPolarHBondContact O-CB 3.47Å; N327-F330 PolarHBondContact O-N 2.81Å; N327-F330 PolarHBondContact OD1-N 3.03Å; N327-F330 VanDerWaalsContact OD1-N 3.09Å; N327-I331 PolarHBondContact O-N 3.37Å; N327-E495 WeakPolarHBondContact CB-O 3.35Å; N327-E495 PolarHBondContact ND2-O 2.84Å; N327-H496 PolarHBondContact N-O 2.83Å; N327-Y498 HydrophobicContact CB-CE2 4.04Å
328T98.8Very high98.6Very high0 Ų030.9 Ų30.90%015%0.145CC..Hα-helixtrans-72-22.8-176.8640000112.7N318 Y326 I331 K332 F342 G358 C360N318-T328 WeakPolarHBondContact ND2-CG2 3.47Å; Y326-T328 PolarHBondContact O-N 3.19Å; T328-I331 PolarHBondContact O-N 3.05Å; T328-K332 WeakPolarHBondContact O-CB 3.42Å; T328-K332 WeakPolarHBondContact O-CD 3.3Å; T328-K332 WeakPolarHBondContact O-CG 3.37Å; T328-K332 PolarHBondContact O-N 3.14Å; T328-K332 PolarHBondContact OG1-NZ 2.95Å; T328-F342 HydrophobicContact CG2-CE1 4.08Å; T328-F342 HydrophobicContact CG2-CZ 4.14Å; T328-G358 PolarHBondContact N-O 3.41Å; T328-G358 PolarHBondContact OG1-O 3.13Å; T328-C360 PolarHBondContact OG1-N 3.1Å; T328-C360 PolarHBondContact OG1-O 2.96Å
329D98.6Very high98.6Very high83 Ų8331.1 Ų31.144%0.44415%0.147SC..Hα-helixtrans-67-40.9174.5-63.2-24.8000110.7N327 K333 G358N327-D329 VanDerWaalsContact C-N 3.27Å; N327-D329 PolarHBondContact O-N 3.42Å; N327-D329 PolarHBondContact OD1-N 3.38Å; D329-K333 VanDerWaalsContact O-CB 3.27Å; D329-K333 WeakPolarHBondContact O-CB 3.28Å; D329-K333 PolarHBondContact O-N 2.82Å; D329-G358 VanDerWaalsContact OD2-CA 3.31Å; D329-G358 WeakPolarHBondContact OD2-CA 3.33Å
330F98.7Very high98.6Very high41 Ų4131.1 Ų31.118%0.1815%0.147CC..Hα-helixtrans-58.4-49.1170.4171.8-93000111.2Q290 F293 N327 K333 T334Q290-F330 HydrophobicContact CB-CE1 3.86Å; Q290-F330 HydrophobicContact CB-CE2 4.41Å; Q290-F330 HydrophobicContact CB-CZ 3.61Å; Q290-F330 HydrophobicContact CG-CD1 4.22Å; Q290-F330 HydrophobicContact CG-CE1 3.69Å; Q290-F330 HydrophobicContact CG-CE2 4.25Å; Q290-F330 HydrophobicContact CG-CZ 3.7Å; F293-F330 HydrophobicContact CB-CE1 4.26Å; F293-F330 AromaticContact CD2-CE1 3.99Å; F293-F330 HydrophobicContact CD2-CE1 3.99Å; F293-F330 HydrophobicContact CG-CE1 4.47Å; N327-F330 HydrophobicContact CB-CB 4.12Å; N327-F330 WeakPolarHBondContact O-CB 3.47Å; N327-F330 PolarHBondContact O-N 2.81Å; N327-F330 PolarHBondContact OD1-N 3.03Å; N327-F330 VanDerWaalsContact OD1-N 3.09Å; F330-K333 PolarHBondContact O-N 2.98Å; F330-T334 HydrophobicContact CE1-CG2 4.36Å; F330-T334 HydrophobicContact CE2-CG2 4.27Å; F330-T334 VanDerWaalsContact CE2-OG1 3.29Å; F330-T334 WeakPolarHBondContact CE2-OG1 3.41Å; F330-T334 HydrophobicContact CZ-CG2 3.84Å; F330-T334 VanDerWaalsContact O-CB 3.26Å; F330-T334 WeakPolarHBondContact O-CB 3.42Å; F330-T334 PolarHBondContact O-N 2.78Å; F330-T334 PolarHBondContact O-OG1 2.72Å
331I98.8Very high98.6Very high0 Ų031.1 Ų31.10%015%0.146CC..Hα-helixtrans-62.9-49.1-178.3-62.9169.3000110.8F293 I316 Y326 N327 T328 K333 T334 L335 F342F293-I331 HydrophobicContact CD1-CG2 4.5Å; F293-I331 HydrophobicContact CE1-CG1 4.44Å; F293-I331 HydrophobicContact CE1-CG2 4.46Å; F293-I331 HydrophobicContact CE2-CD1 4.45Å; F293-I331 HydrophobicContact CE2-CG1 4.26Å; F293-I331 HydrophobicContact CZ-CD1 4.1Å; F293-I331 HydrophobicContact CZ-CG1 4.21Å; I316-I331 HydrophobicContact CD1-CD1 4.29Å; I316-I331 HydrophobicContact CD1-CG2 3.65Å; Y326-I331 HydrophobicContact CD1-CD1 3.97Å; Y326-I331 HydrophobicContact CG-CD1 3.95Å; N327-I331 PolarHBondContact O-N 3.37Å; T328-I331 PolarHBondContact O-N 3.05Å; I331-K333 PolarHBondContact O-N 3.04Å; I331-T334 PolarHBondContact O-N 3.1Å; I331-L335 HydrophobicContact CG2-CB 4.25Å; I331-L335 HydrophobicContact CG2-CD2 4.2Å; I331-L335 VanDerWaalsContact O-CB 3.3Å; I331-L335 WeakPolarHBondContact O-CB 3.21Å; I331-L335 PolarHBondContact O-N 3.05Å; I331-F342 HydrophobicContact CB-CZ 4.27Å; I331-F342 HydrophobicContact CD1-CE1 3.99Å; I331-F342 HydrophobicContact CD1-CZ 4.42Å; I331-F342 HydrophobicContact CG2-CE1 4.27Å; I331-F342 HydrophobicContact CG2-CZ 3.88Å
332K98.7Very high98.7Very high13 Ų1328 Ų286%0.05713%0.134CC..Hα-helixtrans-57.2-37.2178.2-73.8164.3-172.11620111.8T328 C360 G361 S363 V367 K370 I372T328-K332 WeakPolarHBondContact O-CB 3.42Å; T328-K332 WeakPolarHBondContact O-CD 3.3Å; T328-K332 WeakPolarHBondContact O-CG 3.37Å; T328-K332 PolarHBondContact O-N 3.14Å; T328-K332 PolarHBondContact OG1-NZ 2.95Å; K332-C360 PolarHBondContact NZ-O 3.45Å; K332-G361 WeakPolarHBondContact CE-O 3.13Å; K332-G361 PolarHBondContact NZ-O 3.3Å; K332-S363 PolarHBondContact NZ-O 3.42Å; K332-V367 HydrophobicContact CB-CG2 4Å; K332-V367 HydrophobicContact CD-CG2 4.11Å; K332-V367 HydrophobicContact CG-CG2 4.08Å; K332-K370 PolarHBondContact O-NZ 3.25Å; K332-I372 HydrophobicContact CG-CD1 4.33Å
333K98.4Very high98.7Very high179 Ų17928 Ų2878%0.77814%0.135SC*.Hα-helixtrans-75.3-48.1177.7-177.2178.8176.6-178.70112.6D329 F330 I331D329-K333 VanDerWaalsContact O-CB 3.27Å; D329-K333 WeakPolarHBondContact O-CB 3.28Å; D329-K333 PolarHBondContact O-N 2.82Å; F330-K333 PolarHBondContact O-N 2.98Å; I331-K333 PolarHBondContact O-N 3.04Å
334T98.5Very high98.7Very high42 Ų4228 Ų2826%0.25814%0.135SC..Hα-helixtrans-87.2-40.8-166.3-55.60000113.3F293 F330 I331 D336F293-T334 HydrophobicContact CB-CG2 4.44Å; F330-T334 HydrophobicContact CE1-CG2 4.36Å; F330-T334 HydrophobicContact CE2-CG2 4.27Å; F330-T334 VanDerWaalsContact CE2-OG1 3.29Å; F330-T334 WeakPolarHBondContact CE2-OG1 3.41Å; F330-T334 HydrophobicContact CZ-CG2 3.84Å; F330-T334 VanDerWaalsContact O-CB 3.26Å; F330-T334 WeakPolarHBondContact O-CB 3.42Å; F330-T334 PolarHBondContact O-N 2.78Å; F330-T334 PolarHBondContact O-OG1 2.72Å; I331-T334 PolarHBondContact O-N 3.1Å; T334-D336 PolarHBondContact O-N 2.93Å
335L98.6Very high98.7Very high0 Ų028.4 Ų28.40%014%0.137CC..  trans-76.7106.6-175.5-179.561.4000110.6L252 F275 F293 I298 A314 I316 I331 V337 I340 K370L252-L335 HydrophobicContact CD1-CD1 4.1Å; F275-L335 HydrophobicContact CZ-CD1 4.15Å; F275-L335 HydrophobicContact CZ-CD2 4.22Å; F293-L335 HydrophobicContact CD1-CB 4.47Å; F293-L335 HydrophobicContact CD1-CD1 4.39Å; F293-L335 HydrophobicContact CD1-CD2 4.21Å; I298-L335 HydrophobicContact CD1-CD1 3.55Å; A314-L335 HydrophobicContact CB-CD2 3.7Å; I316-L335 HydrophobicContact CD1-CD2 4.19Å; I331-L335 HydrophobicContact CG2-CB 4.25Å; I331-L335 HydrophobicContact CG2-CD2 4.2Å; I331-L335 VanDerWaalsContact O-CB 3.3Å; I331-L335 WeakPolarHBondContact O-CB 3.21Å; I331-L335 PolarHBondContact O-N 3.05Å; L335-V337 HydrophobicContact CD1-CG2 3.84Å; L335-V337 HydrophobicContact CG-CB 4.25Å; L335-V337 HydrophobicContact CG-CG2 4.03Å; L335-V337 PolarHBondContact O-N 3.43Å; L335-I340 HydrophobicContact CB-CD1 4.28Å; L335-I340 HydrophobicContact CD2-CD1 4.04Å; L335-I340 HydrophobicContact CD2-CG1 4.18Å; L335-I340 HydrophobicContact CG-CD1 4.27Å; L335-K370 WeakPolarHBondContact O-CE 3.47Å; L335-K370 PolarHBondContact O-NZ 3.45Å
336D98.1Very high98.7Very high54 Ų5429.7 Ų29.729%0.28914%0.142SC..  trans-83.953.3-176.357.5-32.8000113H295 W310 T334H295-D336 IonicContact CD2-OD2 2.76Å; H295-D336 PolarHBondContact CD2-OD2 3.31Å; H295-D336 IonicContact CG-OD2 3.23Å; H295-D336 IonicContact NE2-OD2 3.68Å; W310-D336 VanDerWaalsContact CZ2-CG 3.43Å; W310-D336 WeakPolarHBondContact CZ2-OD1 3.15Å; W310-D336 WeakPolarHBondContact CZ2-OD2 3.37Å; W310-D336 PolarHBondContact NE1-O 3.33Å; T334-D336 PolarHBondContact O-N 2.93Å
337V98.7Very high98.7Very high2 Ų229.6 Ų29.61%0.01214%0.142CC..  trans-117.6133173.5-179.40000109.2L252 P311 A314 L335 S339L252-V337 HydrophobicContact CD1-CG2 4.14Å; P311-V337 HydrophobicContact CB-CG2 4.14Å; A314-V337 HydrophobicContact CB-CB 4.31Å; A314-V337 HydrophobicContact CB-CG1 4.12Å; A314-V337 HydrophobicContact CB-CG2 4.41Å; L335-V337 HydrophobicContact CD1-CG2 3.84Å; L335-V337 HydrophobicContact CG-CB 4.25Å; L335-V337 HydrophobicContact CG-CG2 4.03Å; L335-V337 PolarHBondContact O-N 3.43Å; V337-S339 VanDerWaalsContact C-N 3.27Å; V337-S339 WeakPolarHBondContact CG1-O 3.31Å; V337-S339 PolarHBondContact O-N 2.89Å
338K98.5Very high98.7Very high132 Ų13228.2 Ų28.257%0.57413%0.134SC*.SBendtrans-69-19.6-174.467.1176.1-178.7176.90114.6V312 K370 V371V312-K338 WeakPolarHBondContact O-CG 3.44Å; K338-K370 CarbonylContact O-C 3.49Å; K338-K370 VanDerWaalsContact O-CA 3.24Å; K338-K370 WeakPolarHBondContact O-CA 3.22Å; K338-V371 PolarHBondContact O-N 3.47Å
339S98.9Very high98.7Very high5 Ų528.4 Ų28.44%0.03514%0.135CC..EExtended strand (participates in β ladder)trans-133113.9-178.7172.50000109.3S244 V312 H313 A314 V337 V371 Y373S244-S339 PolarHBondContact OG-OG 3.28Å; V312-S339 WeakPolarHBondContact O-CB 3.26Å; H313-S339 CarbonylContact C-O 3.55Å; H313-S339 WeakPolarHBondContact CA-O 3.29Å; H313-S339 PolarHBondContact CE1-OG 3.01Å; H313-S339 PolarHBondContact ND1-O 3.21Å; H313-S339 PolarHBondContact ND1-OG 3.43Å; A314-S339 PolarHBondContact N-O 3.25Å; V337-S339 VanDerWaalsContact C-N 3.27Å; V337-S339 WeakPolarHBondContact CG1-O 3.31Å; V337-S339 PolarHBondContact O-N 2.89Å; S339-V371 WeakPolarHBondContact CA-O 3.49Å; S339-Y373 WeakPolarHBondContact OG-CE2 3.45Å
340I98.9Very high98.7Very high0 Ų024.8 Ų24.80%012%0.116CC..EExtended strand (participates in β ladder)trans-121.2120.6-177.9-57173.4000108.7A314 I316 L335 F342 K370 V371 I372 Y373A314-I340 CarbonylContact O-C 3.56Å; A314-I340 WeakPolarHBondContact O-CA 3.37Å; I316-I340 HydrophobicContact CD1-CG2 4.42Å; L335-I340 HydrophobicContact CB-CD1 4.28Å; L335-I340 HydrophobicContact CD2-CD1 4.04Å; L335-I340 HydrophobicContact CD2-CG1 4.18Å; L335-I340 HydrophobicContact CG-CD1 4.27Å; I340-F342 HydrophobicContact CG2-CD2 4.31Å; I340-F342 HydrophobicContact CG2-CE2 3.77Å; I340-F342 HydrophobicContact CG2-CZ 3.95Å; I340-K370 HydrophobicContact CD1-CD 4.12Å; I340-V371 PolarHBondContact N-O 3.43Å; I340-I372 HydrophobicContact CB-CD1 3.88Å; I340-I372 HydrophobicContact CD1-CD1 4.16Å; I340-I372 HydrophobicContact CG1-CD1 4.35Å; I340-I372 CarbonylContact O-C 3.58Å; I340-I372 VanDerWaalsContact O-CA 3.3Å; I340-I372 WeakPolarHBondContact O-CA 3.34Å; I340-Y373 PolarHBondContact O-N 3.47Å
341H98.9Very high98.7Very high1 Ų125.7 Ų25.71%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-111.5118.2178.8167.2-152.9000110.3V240 H313 A314 V315 I316 Y373 T375V240-H341 HydrophobicContact CG1-CB 4.14Å; H313-H341 VanDerWaalsContact CE1-CB 3.45Å; H313-H341 WeakPolarHBondContact CE1-CB 3.29Å; A314-H341 PolarHBondContact O-N 2.79Å; V315-H341 CarbonylContact C-O 3.52Å; V315-H341 VanDerWaalsContact CA-O 3.29Å; V315-H341 WeakPolarHBondContact CA-O 3.09Å; V315-H341 HydrophobicContact CG2-CB 4.33Å; I316-H341 PolarHBondContact N-O 3.01Å; H341-Y373 HydrophobicContact CB-CD2 4.28Å; H341-T375 WeakPolarHBondContact NE2-CG2 3.5Å; H341-T375 PolarHBondContact NE2-OG1 3.16Å
342F98.9Very high98.7Very high0 Ų026.3 Ų26.30%013%0.126CC..EExtended strand (participates in β ladder)trans-90.5113.8167.6-65.1-78.5000109.5I316 N318 T328 I331 I340 S344 I372 Y373 E374 T375I316-F342 HydrophobicContact CB-CD1 4.05Å; I316-F342 HydrophobicContact CB-CE1 4.2Å; I316-F342 HydrophobicContact CD1-CE1 4.05Å; I316-F342 HydrophobicContact CG2-CD1 4.26Å; I316-F342 HydrophobicContact CG2-CE1 4.3Å; I316-F342 CarbonylContact O-C 3.52Å; I316-F342 VanDerWaalsContact O-CA 3.28Å; I316-F342 WeakPolarHBondContact O-CA 3.33Å; N318-F342 HydrophobicContact CB-CB 4.47Å; N318-F342 HydrophobicContact CB-CD1 3.82Å; T328-F342 HydrophobicContact CG2-CE1 4.08Å; T328-F342 HydrophobicContact CG2-CZ 4.14Å; I331-F342 HydrophobicContact CB-CZ 4.27Å; I331-F342 HydrophobicContact CD1-CE1 3.99Å; I331-F342 HydrophobicContact CD1-CZ 4.42Å; I331-F342 HydrophobicContact CG2-CE1 4.27Å; I331-F342 HydrophobicContact CG2-CZ 3.88Å; I340-F342 HydrophobicContact CG2-CD2 4.31Å; I340-F342 HydrophobicContact CG2-CE2 3.77Å; I340-F342 HydrophobicContact CG2-CZ 3.95Å; F342-S344 VanDerWaalsContact C-N 3.3Å; F342-S344 PolarHBondContact O-N 3.27Å; F342-I372 HydrophobicContact CD2-CG2 3.88Å; F342-I372 HydrophobicContact CE2-CG2 3.9Å; F342-Y373 PolarHBondContact N-O 3.03Å; F342-E374 HydrophobicContact CB-CG 4.22Å; F342-E374 WeakPolarHBondContact O-CA 3.47Å; F342-T375 PolarHBondContact O-N 2.92Å
343D98.9Very high98.6Very high6 Ų626 Ų263%0.03213%0.125CC..EExtended strand (participates in β ladder)trans-74.391.3168.4-170.4-11.4000108.4N237 I316 N318 A345 T375N237-D343 PolarHBondContact ND2-OD2 2.64Å; I316-D343 PolarHBondContact O-N 2.98Å; N318-D343 PolarHBondContact N-O 3.23Å; N318-D343 VanDerWaalsContact N-O 3.14Å; D343-A345 WeakPolarHBondContact OD1-CB 3.29Å; D343-A345 PolarHBondContact OD1-N 3.03Å; D343-T375 PolarHBondContact OD1-OG1 3.07Å
344S98.8Very high98.6Very high0 Ų021.5 Ų21.50%011%0.114CC..  trans-99.531.4-175.1-680000113.1N318 F342 W346 V347 T375N318-S344 WeakPolarHBondContact O-CA 3.25Å; N318-S344 WeakPolarHBondContact O-CB 3.32Å; N318-S344 PolarHBondContact O-OG 3.25Å; F342-S344 VanDerWaalsContact C-N 3.3Å; F342-S344 PolarHBondContact O-N 3.27Å; S344-W346 PolarHBondContact O-N 3.28Å; S344-V347 PolarHBondContact O-N 3.16Å; S344-V347 VanDerWaalsContact O-N 3.1Å; S344-T375 CarbonylContact C-O 3.05Å; S344-T375 WeakPolarHBondContact CA-O 3.44Å; S344-T375 PolarHBondContact N-O 3.45Å
345A98.6Very high98.6Very high7 Ų720.6 Ų20.66%0.05811%0.108CC..THydrogen-bonded Turntrans-54.3-30.4178.900000113.5T233 D343 T375T233-A345 HydrophobicContact CG2-CB 4.1Å; D343-A345 WeakPolarHBondContact OD1-CB 3.29Å; D343-A345 PolarHBondContact OD1-N 3.03Å; A345-T375 PolarHBondContact N-O 2.78Å
346W98.5Very high98.6Very high27 Ų2720.7 Ų20.710%0.10211%0.108CC..THydrogen-bonded Turntrans-95.3-1.8-176.7-75.3121.5000115.3Y321 S344 P348 Y349 K380 L381 K503 E539 L549Y321-W346 AromaticContact CD2-CE2 3.71Å; Y321-W346 AromaticContact CD2-CZ2 3.79Å; Y321-W346 HydrophobicContact CD2-CZ2 3.79Å; Y321-W346 AromaticContact CD2-NE1 3.35Å; Y321-W346 HydrophobicContact CE1-CZ2 4.49Å; Y321-W346 AromaticContact CE2-CE2 3.67Å; Y321-W346 HydrophobicContact CE2-CH2 4.18Å; Y321-W346 AromaticContact CE2-CZ2 3.23Å; Y321-W346 HydrophobicContact CE2-CZ2 3.23Å; Y321-W346 AromaticContact CE2-NE1 3.75Å; Y321-W346 AromaticContact CZ-CZ2 3.63Å; S344-W346 PolarHBondContact O-N 3.28Å; W346-P348 VanDerWaalsContact C-CD 3.46Å; W346-Y349 PolarHBondContact O-OH 3.5Å; W346-K380 HydrophobicContact CD2-CD 4.22Å; W346-K380 HydrophobicContact CE3-CD 3.94Å; W346-K380 HydrophobicContact CH2-CD 3.99Å; W346-K380 HydrophobicContact CZ2-CD 4.23Å; W346-K380 HydrophobicContact CZ3-CB 4.44Å; W346-K380 HydrophobicContact CZ3-CD 3.83Å; W346-K380 HydrophobicContact CZ3-CG 4.48Å; W346-L381 HydrophobicContact CE3-CD1 3.92Å; W346-L381 WeakPolarHBondContact O-CD1 3.46Å; W346-K503 PolarHBondContact O-NZ 3.33Å; W346-E539 HydrophobicContact CH2-CG 4.46Å; W346-E539 VanDerWaalsContact CH2-OE1 3.32Å; W346-E539 WeakPolarHBondContact CH2-OE1 3.09Å; W346-L549 HydrophobicContact CE3-CD1 4.3Å; W346-L549 HydrophobicContact CH2-CD1 4.2Å; W346-L549 HydrophobicContact CZ3-CD1 3.51Å
347V98.7Very high98.7Very high0 Ų024.3 Ų24.30%012%0.123CC..  trans-136.546.5-175.5-62.50000113.8N318 S319 L325 S344 Y349 T350N318-V347 WeakPolarHBondContact O-CG2 3.48Å; S319-V347 WeakPolarHBondContact OG-CG1 3.42Å; L325-V347 HydrophobicContact CD2-CG1 4.06Å; S344-V347 PolarHBondContact O-N 3.16Å; S344-V347 VanDerWaalsContact O-N 3.1Å; V347-Y349 PolarHBondContact O-N 3.1Å; V347-T350 HydrophobicContact CB-CG2 3.68Å; V347-T350 HydrophobicContact CG2-CG2 4.05Å; V347-T350 WeakPolarHBondContact O-CG2 3.44Å; V347-T350 PolarHBondContact O-N 2.78Å; V347-T350 PolarHBondContact O-OG1 3.14Å
348P98.8Very high98.7Very high0 Ų024.7 Ų24.70%013%0.127CC..THydrogen-bonded Turntrans-68.61.7-177.133.8-40.1000114.5F221 W346 Q376 L381 L382F221-P348 WeakPolarHBondContact CE1-O 3.43Å; W346-P348 VanDerWaalsContact C-CD 3.46Å; P348-Q376 HydrophobicContact CB-CB 4.1Å; P348-Q376 HydrophobicContact CB-CG 4.35Å; P348-L381 HydrophobicContact CG-CB 3.91Å; P348-L382 HydrophobicContact CB-CD1 3.93Å; P348-L382 HydrophobicContact CB-CG 3.92Å; P348-L382 HydrophobicContact CG-CD1 4.39Å; P348-L382 HydrophobicContact CG-CD2 4.45Å; P348-L382 HydrophobicContact CG-CG 3.81Å
349Y98.8Very high98.7Very high4 Ų419.8 Ų19.82%0.01611%0.106CC..THydrogen-bonded Turntrans-109-1.2-173.846.9-96.1000113.9W346 V347 N351 F352 Y356 L381 D500 I502 K503W346-Y349 PolarHBondContact O-OH 3.5Å; V347-Y349 PolarHBondContact O-N 3.1Å; Y349-N351 PolarHBondContact O-N 2.97Å; Y349-N351 VanDerWaalsContact O-N 3.14Å; Y349-F352 VanDerWaalsContact O-CD2 3.31Å; Y349-F352 WeakPolarHBondContact O-CD2 3.49Å; Y349-F352 PolarHBondContact O-N 3.49Å; Y349-Y356 HydrophobicContact CD2-CD2 4.41Å; Y349-Y356 AromaticContact CD2-CE2 3.76Å; Y349-Y356 HydrophobicContact CD2-CE2 3.76Å; Y349-Y356 AromaticContact CD2-CZ 3.87Å; Y349-Y356 AromaticContact CE2-CE1 3.99Å; Y349-Y356 HydrophobicContact CE2-CE1 3.99Å; Y349-Y356 AromaticContact CE2-CE2 3.94Å; Y349-Y356 HydrophobicContact CE2-CE2 3.94Å; Y349-Y356 AromaticContact CE2-CZ 3.53Å; Y349-Y356 WeakPolarHBondContact CE2-OH 3.49Å; Y349-L381 HydrophobicContact CD1-CB 4.02Å; Y349-L381 HydrophobicContact CE1-CB 3.9Å; Y349-L381 HydrophobicContact CE1-CD1 3.73Å; Y349-L381 HydrophobicContact CE1-CG 4.4Å; Y349-D500 PolarHBondContact OH-OD2 3.21Å; Y349-I502 HydrophobicContact CD1-CD1 4.31Å; Y349-I502 HydrophobicContact CE1-CD1 3.64Å; Y349-I502 HydrophobicContact CE2-CD1 3.87Å; Y349-I502 HydrophobicContact CE2-CG1 4.43Å; Y349-I502 WeakPolarHBondContact OH-CD1 3.31Å; Y349-K503 WeakPolarHBondContact OH-CE 3.38Å; Y349-K503 PolarHBondContact OH-NZ 3.15Å
350T98.7Very high98.7Very high7 Ų719.7 Ų19.74%0.04311%0.105CC..G310 helixtrans-62.1-25.6-168.848.80000113.9V347 F352 Y356 C360V347-T350 HydrophobicContact CB-CG2 3.68Å; V347-T350 HydrophobicContact CG2-CG2 4.05Å; V347-T350 WeakPolarHBondContact O-CG2 3.44Å; V347-T350 PolarHBondContact O-N 2.78Å; V347-T350 PolarHBondContact O-OG1 3.14Å; T350-F352 PolarHBondContact O-N 2.99Å; T350-Y356 HydrophobicContact CG2-CD1 4.06Å; T350-Y356 HydrophobicContact CG2-CG 3.95Å; T350-Y356 WeakPolarHBondContact O-CB 3.27Å; T350-C360 HydrophobicContact CG2-CB 3.99Å; T350-C360 VanDerWaalsContact OG1-CB 3.31Å; T350-C360 WeakPolarHBondContact OG1-CB 3.25Å; T350-C360 PolarHBondContact OG1-SG 3.15Å
351N98.6Very high98.6Very high61 Ų6119.7 Ų19.733%0.32611%0.106SC..G310 helixtrans-74.2-10.4177.5-161.752.5000113.9V220 N222 Y349V220-N351 PolarHBondContact O-ND2 3.01Å; N222-N351 WeakPolarHBondContact CB-OD1 3.46Å; Y349-N351 PolarHBondContact O-N 2.97Å; Y349-N351 VanDerWaalsContact O-N 3.14Å
352F98.4Very high98.6Very high13 Ų1319.8 Ų19.86%0.05711%0.106CC..G310 helixtrans-108.15.1-168.6-44.4-60.2000114.1V220 F221 Y349 T350 M429 I438V220-F352 HydrophobicContact CG1-CE1 3.65Å; V220-F352 HydrophobicContact CG1-CZ 3.95Å; V220-F352 WeakPolarHBondContact O-CE1 3.34Å; F221-F352 HydrophobicContact CD1-CE2 4.48Å; F221-F352 HydrophobicContact CD1-CZ 4.03Å; F221-F352 HydrophobicContact CD2-CZ 4.19Å; F221-F352 AromaticContact CE1-CE2 3.95Å; F221-F352 HydrophobicContact CE1-CE2 3.95Å; F221-F352 AromaticContact CE1-CZ 3.77Å; F221-F352 HydrophobicContact CE1-CZ 3.77Å; F221-F352 AromaticContact CE2-CZ 3.93Å; F221-F352 HydrophobicContact CE2-CZ 3.93Å; F221-F352 HydrophobicContact CG-CZ 4.24Å; F221-F352 HydrophobicContact CZ-CE2 4.07Å; F221-F352 AromaticContact CZ-CZ 3.72Å; F221-F352 HydrophobicContact CZ-CZ 3.72Å; Y349-F352 VanDerWaalsContact O-CD2 3.31Å; Y349-F352 WeakPolarHBondContact O-CD2 3.49Å; Y349-F352 PolarHBondContact O-N 3.49Å; T350-F352 PolarHBondContact O-N 2.99Å; F352-M429 HydrophobicContact CD1-CB 3.95Å; F352-M429 WeakPolarHBondContact CD1-O 3.48Å; F352-M429 HydrophobicContact CD2-CB 3.89Å; F352-M429 HydrophobicContact CD2-CG 3.89Å; F352-M429 HydrophobicContact CD2-SD 3.79Å; F352-M429 HydrophobicContact CE1-CB 3.61Å; F352-M429 HydrophobicContact CE2-CB 3.57Å; F352-M429 HydrophobicContact CE2-CG 3.6Å; F352-M429 HydrophobicContact CE2-SD 4.12Å; F352-M429 HydrophobicContact CG-CB 4.1Å; F352-M429 HydrophobicContact CG-SD 4.34Å; F352-M429 HydrophobicContact CZ-CB 3.43Å; F352-M429 VanDerWaalsContact CZ-CB 3.43Å; F352-M429 HydrophobicContact CZ-CG 3.98Å; F352-I438 HydrophobicContact CB-CB 4.44Å; F352-I438 HydrophobicContact CB-CG1 3.78Å; F352-I438 HydrophobicContact CD2-CG1 4.35Å
353S98.4Very high98.6Very high6 Ų620.6 Ų20.64%0.04211%0.112CC..SBendtrans-142.8134169.4-173.80000110.9I355 Y356 N439S353-I355 PolarHBondContact O-N 2.87Å; S353-I355 VanDerWaalsContact O-N 3.13Å; S353-Y356 PolarHBondContact O-N 3.14Å; S353-N439 PolarHBondContact OG-OD1 3.42Å
354P98.2Very high98.5Very high84 Ų8422.5 Ų22.555%0.54513%0.133SC..G310 helixtrans-64.2-19.4-175.726-35.4000113.4Y356 E357P354-Y356 PolarHBondContact O-N 3.03Å; P354-Y356 VanDerWaalsContact O-N 3.08Å; P354-E357 WeakPolarHBondContact O-CB 3.39Å; P354-E357 WeakPolarHBondContact O-CG 3.21Å; P354-E357 PolarHBondContact O-N 3.14Å; P354-E357 VanDerWaalsContact O-N 3.09Å
355I98.6Very high98.4Very high24 Ų2425.1 Ų25.112%0.12316%0.16CC..G310 helixtrans-61.3-21.6178.671.7169.5000112.8S353 K359 I442 T475 P501S353-I355 PolarHBondContact O-N 2.87Å; S353-I355 VanDerWaalsContact O-N 3.13Å; I355-K359 PolarHBondContact O-NZ 3.19Å; I355-I442 HydrophobicContact CD1-CD1 3.66Å; I355-I442 HydrophobicContact CD1-CG1 4.3Å; I355-I442 HydrophobicContact CD1-CG2 4.47Å; I355-I442 HydrophobicContact CG1-CD1 4.33Å; I355-T475 WeakPolarHBondContact CG2-O 3.33Å; I355-P501 HydrophobicContact CD1-CG 3.99Å
356Y98.8Very high98.4Very high1 Ų130.8 Ų30.80%0.00418%0.18CC..G310 helixtrans-93.9-1.2-179.2-58.9-66000113.8L325 Y349 T350 S353 P354 G358 K359 I438 I442 C477 D500L325-Y356 HydrophobicContact CD1-CD1 3.7Å; L325-Y356 HydrophobicContact CD1-CE1 3.85Å; Y349-Y356 HydrophobicContact CD2-CD2 4.41Å; Y349-Y356 AromaticContact CD2-CE2 3.76Å; Y349-Y356 HydrophobicContact CD2-CE2 3.76Å; Y349-Y356 AromaticContact CD2-CZ 3.87Å; Y349-Y356 AromaticContact CE2-CE1 3.99Å; Y349-Y356 HydrophobicContact CE2-CE1 3.99Å; Y349-Y356 AromaticContact CE2-CE2 3.94Å; Y349-Y356 HydrophobicContact CE2-CE2 3.94Å; Y349-Y356 AromaticContact CE2-CZ 3.53Å; Y349-Y356 WeakPolarHBondContact CE2-OH 3.49Å; T350-Y356 HydrophobicContact CG2-CD1 4.06Å; T350-Y356 HydrophobicContact CG2-CG 3.95Å; T350-Y356 WeakPolarHBondContact O-CB 3.27Å; S353-Y356 PolarHBondContact O-N 3.14Å; P354-Y356 PolarHBondContact O-N 3.03Å; P354-Y356 VanDerWaalsContact O-N 3.08Å; Y356-G358 PolarHBondContact O-N 2.81Å; Y356-K359 WeakPolarHBondContact O-CA 3.46Å; Y356-K359 WeakPolarHBondContact O-CB 3.47Å; Y356-K359 PolarHBondContact O-N 3.16Å; Y356-I438 HydrophobicContact CE2-CG2 4.43Å; Y356-I442 HydrophobicContact CE2-CD1 4.21Å; Y356-C477 WeakPolarHBondContact CD1-SG 3.4Å; Y356-C477 WeakPolarHBondContact CE1-SG 3.06Å; Y356-D500 WeakPolarHBondContact CE1-OD1 3.45Å; Y356-D500 PolarHBondContact OH-OD1 2.96Å
357E98.6Very high98.3Very high130 Ų13031.2 Ų31.261%0.60719%0.185SC*.THydrogen-bonded Turntrans-58.5138.5174.6-69.6173.9-166.100110.9P354 K359P354-E357 WeakPolarHBondContact O-CB 3.39Å; P354-E357 WeakPolarHBondContact O-CG 3.21Å; P354-E357 PolarHBondContact O-N 3.14Å; P354-E357 VanDerWaalsContact O-N 3.09Å; E357-K359 PolarHBondContact O-N 2.86Å; E357-K359 PolarHBondContact O-NZ 3.3Å
358G98.5Very high98.3Very high10 Ų1040.4 Ų40.410%0.10323%0.228CC..THydrogen-bonded Turntrans73.8-5.2-171.900000115.1T328 D329 Y356 S363T328-G358 PolarHBondContact N-O 3.41Å; T328-G358 PolarHBondContact OG1-O 3.13Å; D329-G358 VanDerWaalsContact OD2-CA 3.31Å; D329-G358 WeakPolarHBondContact OD2-CA 3.33Å; Y356-G358 PolarHBondContact O-N 2.81Å; G358-S363 PolarHBondContact N-OG 3.35Å
359K98.8Very high98.2Very high30 Ų3043.8 Ų43.813%0.1326%0.263CS..SBendtrans-112.72-170-56.5174.7-163.974.10114.6N318 L325 Y326 I355 Y356 E357 C477 Y498N318-K359 PolarHBondContact ND2-O 3.22Å; L325-K359 HydrophobicContact CB-CB 4.13Å; L325-K359 HydrophobicContact CD1-CB 4.5Å; L325-K359 HydrophobicContact CD1-CD 4.43Å; Y326-K359 WeakPolarHBondContact O-CA 3.34Å; I355-K359 PolarHBondContact O-NZ 3.19Å; Y356-K359 WeakPolarHBondContact O-CA 3.46Å; Y356-K359 WeakPolarHBondContact O-CB 3.47Å; Y356-K359 PolarHBondContact O-N 3.16Å; E357-K359 PolarHBondContact O-N 2.86Å; E357-K359 PolarHBondContact O-NZ 3.3Å; K359-C477 HydrophobicContact CD-CB 3.84Å; K359-Y498 HydrophobicContact CD-CD1 4.38Å; K359-Y498 HydrophobicContact CD-CD2 3.7Å; K359-Y498 HydrophobicContact CD-CE2 4.3Å; K359-Y498 HydrophobicContact CD-CG 3.75Å; K359-Y498 HydrophobicContact CG-CD2 3.86Å; K359-Y498 HydrophobicContact CG-CE2 4.15Å; K359-Y498 HydrophobicContact CG-CG 4.43Å
360C98.6Very high98.2Very high2 Ų245.2 Ų45.21%0.01427%0.269CS..SBendtrans-129.2153.6174.865.60000112.6T328 K332 T350 M362 S363 E374T328-C360 PolarHBondContact OG1-N 3.1Å; T328-C360 PolarHBondContact OG1-O 2.96Å; K332-C360 PolarHBondContact NZ-O 3.45Å; T350-C360 HydrophobicContact CG2-CB 3.99Å; T350-C360 VanDerWaalsContact OG1-CB 3.31Å; T350-C360 WeakPolarHBondContact OG1-CB 3.25Å; T350-C360 PolarHBondContact OG1-SG 3.15Å; C360-M362 VanDerWaalsContact C-N 3.29Å; C360-M362 PolarHBondContact O-N 2.91Å; C360-S363 VanDerWaalsContact O-CB 3.25Å; C360-S363 WeakPolarHBondContact O-CB 3.36Å; C360-S363 PolarHBondContact O-N 3.16Å; C360-E374 WeakPolarHBondContact CB-OE1 3.14Å
361G98.3Very high98.2Very high1 Ų145.7 Ų45.71%0.0127%0.272CS..THydrogen-bonded Turntrans-56.9-38.1-179.200000113.4K332 S363 E374K332-G361 WeakPolarHBondContact CE-O 3.13Å; K332-G361 PolarHBondContact NZ-O 3.3Å; G361-S363 VanDerWaalsContact C-N 3.33Å; G361-S363 PolarHBondContact O-N 2.88Å; G361-E374 WeakPolarHBondContact CA-OE1 3.5Å; G361-E374 PolarHBondContact N-OE1 3.07Å
362M98.7Very high98.2Very high2 Ų242.8 Ų42.81%0.0126%0.257CS..THydrogen-bonded Turntrans-79.6-10.6177.9-68.9-57.1102.900114.1N222 A223 C360 I372 E374 H392 K394N222-M362 PolarHBondContact ND2-O 2.77Å; A223-M362 HydrophobicContact CB-SD 4.03Å; C360-M362 VanDerWaalsContact C-N 3.29Å; C360-M362 PolarHBondContact O-N 2.91Å; M362-I372 HydrophobicContact CE-CB 4.38Å; M362-I372 HydrophobicContact CE-CG2 4.08Å; M362-E374 HydrophobicContact CE-CB 4.32Å; M362-E374 HydrophobicContact CE-CG 4.1Å; M362-E374 HydrophobicContact CG-CB 4.36Å; M362-E374 HydrophobicContact CG-CG 4.12Å; M362-E374 PolarHBondContact N-OE1 3.36Å; M362-H392 HydrophobicContact CE-CB 4.43Å; M362-H392 HydrophobicContact CG-CB 4.04Å; M362-H392 HydrophobicContact SD-CB 3.84Å; M362-K394 HydrophobicContact CE-CB 3.76Å; M362-K394 PolarHBondContact O-NZ 2.95Å; M362-K394 HydrophobicContact SD-CB 3.83Å
363S98Very high98.3Very high17 Ų1742.2 Ų42.212%0.11925%0.254CS..SBendtrans-61.1141.6177.6-1600000112K332 G358 C360 G361K332-S363 PolarHBondContact NZ-O 3.42Å; G358-S363 PolarHBondContact N-OG 3.35Å; C360-S363 VanDerWaalsContact O-CB 3.25Å; C360-S363 WeakPolarHBondContact O-CB 3.36Å; C360-S363 PolarHBondContact O-N 3.16Å; G361-S363 VanDerWaalsContact C-N 3.33Å; G361-S363 PolarHBondContact O-N 2.88Å
364G96.3Very high98.3Very high47 Ų4742 Ų4249%0.48525%0.252SS..SBendtrans75.1-159-176.400000114.2K394G364-K394 PolarHBondContact O-NZ 3.03Å
365G96.9Very high98.3Very high54 Ų5438 Ų3856%0.55723%0.226SC*.SBendtrans-95.8-167.1-179.300000114
366R98.2Very high98.3Very high127 Ų12737 Ų3748%0.47922%0.221SC..  trans-64.9151.3169.5-70-178.4175.8-139-2.1110.9D224 K394 D396D224-R366 IonicContact OD1-NE 3.03Å; D224-R366 PolarHBondContact OD1-NE 2.76Å; D224-R366 IonicContact OD1-NH2 2.71Å; D224-R366 IonicContact OD2-CZ 3.74Å; D224-R366 IonicContact OD2-NE 3.16Å; D224-R366 PolarHBondContact OD2-NE 3.3Å; D224-R366 IonicContact OD2-NH2 2.74Å; D224-R366 PolarHBondContact OD2-NH2 2.98Å; D224-R366 VanDerWaalsContact OD2-NH2 3.07Å; R366-K394 HydrophobicContact CG-CD 4Å; R366-K394 HydrophobicContact CG-CG 4.18Å; R366-D396 IonicContact CZ-OD1 2.93Å; R366-D396 IonicContact NH1-OD1 3.01Å; R366-D396 PolarHBondContact NH1-OD1 2.85Å; R366-D396 IonicContact NH1-OD2 3.62Å; R366-D396 PolarHBondContact NH1-OD2 2.99Å; R366-D396 IonicContact NH2-OD1 3.4Å
367V98.3Very high98.3Very high35 Ų3537.1 Ų37.121%0.21222%0.222CC..  trans-108.3125.3175.2-1760000108.1K332 G369 K370 I372K332-V367 HydrophobicContact CB-CG2 4Å; K332-V367 HydrophobicContact CD-CG2 4.11Å; K332-V367 HydrophobicContact CG-CG2 4.08Å; V367-G369 PolarHBondContact O-N 3.4Å; V367-K370 HydrophobicContact CB-CB 4.22Å; V367-K370 HydrophobicContact CG1-CB 4.18Å; V367-K370 HydrophobicContact CG1-CD 3.83Å; V367-K370 HydrophobicContact CG1-CG 4.17Å; V367-K370 PolarHBondContact O-N 3.47Å; V367-K370 VanDerWaalsContact O-N 3.15Å; V367-K370 VanDerWaalsContact O-O 3.07Å; V367-I372 HydrophobicContact CG2-CD1 4.5Å; V367-I372 HydrophobicContact CG2-CG1 4.27Å
368E97.2Very high98.3Very high193 Ų19331 Ų3190%0.90219%0.193SC*.THydrogen-bonded Turntrans-57.7131.4-176.1-170.5-177.3175.200111.7K370E368-K370 PolarHBondContact O-N 3.05Å; E368-K370 VanDerWaalsContact O-N 3.16Å
369G97.5Very high98.3Very high72 Ų7233.5 Ų33.574%0.74220%0.202SC*.THydrogen-bonded Turntrans69.55.5178.700000115.3V367V367-G369 PolarHBondContact O-N 3.4Å
370K98.7Very high98.2Very high34 Ų3435 Ų3515%0.14821%0.209CC..  trans-126.6144.7-179.5-53.3-176-168176.40111.7K332 L335 K338 I340 V367 E368 I372K332-K370 PolarHBondContact O-NZ 3.25Å; L335-K370 WeakPolarHBondContact O-CE 3.47Å; L335-K370 PolarHBondContact O-NZ 3.45Å; K338-K370 CarbonylContact O-C 3.49Å; K338-K370 VanDerWaalsContact O-CA 3.24Å; K338-K370 WeakPolarHBondContact O-CA 3.22Å; I340-K370 HydrophobicContact CD1-CD 4.12Å; V367-K370 HydrophobicContact CB-CB 4.22Å; V367-K370 HydrophobicContact CG1-CB 4.18Å; V367-K370 HydrophobicContact CG1-CD 3.83Å; V367-K370 HydrophobicContact CG1-CG 4.17Å; V367-K370 PolarHBondContact O-N 3.47Å; V367-K370 VanDerWaalsContact O-N 3.15Å; V367-K370 VanDerWaalsContact O-O 3.07Å; E368-K370 PolarHBondContact O-N 3.05Å; E368-K370 VanDerWaalsContact O-N 3.16Å; K370-I372 HydrophobicContact CB-CD1 4.31Å
371V98.8Very high98.2Very high16 Ų1635.2 Ų35.210%0.09721%0.21CC..EExtended strand (participates in β ladder)trans-106.613116559.80000109.2K338 S339 I340 Y373 V393 V397K338-V371 PolarHBondContact O-N 3.47Å; S339-V371 WeakPolarHBondContact CA-O 3.49Å; I340-V371 PolarHBondContact N-O 3.43Å; V371-Y373 HydrophobicContact CB-CE2 4.36Å; V371-Y373 HydrophobicContact CG1-CE2 3.66Å; V371-Y373 WeakPolarHBondContact CG1-OH 3.42Å; V371-Y373 HydrophobicContact CG2-CE1 3.91Å; V371-Y373 HydrophobicContact CG2-CE2 3.9Å; V371-V393 HydrophobicContact CG2-CG1 3.67Å; V371-V397 HydrophobicContact CG2-CG1 3.9Å
372I98.9Very high98.2Very high1 Ų135.7 Ų35.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-110.5130.3-179.6-48.1-59.4000109K332 I340 F342 M362 V367 K370 K394K332-I372 HydrophobicContact CG-CD1 4.33Å; I340-I372 HydrophobicContact CB-CD1 3.88Å; I340-I372 HydrophobicContact CD1-CD1 4.16Å; I340-I372 HydrophobicContact CG1-CD1 4.35Å; I340-I372 CarbonylContact O-C 3.58Å; I340-I372 VanDerWaalsContact O-CA 3.3Å; I340-I372 WeakPolarHBondContact O-CA 3.34Å; F342-I372 HydrophobicContact CD2-CG2 3.88Å; F342-I372 HydrophobicContact CE2-CG2 3.9Å; M362-I372 HydrophobicContact CE-CB 4.38Å; M362-I372 HydrophobicContact CE-CG2 4.08Å; V367-I372 HydrophobicContact CG2-CD1 4.5Å; V367-I372 HydrophobicContact CG2-CG1 4.27Å; K370-I372 HydrophobicContact CB-CD1 4.31Å; I372-K394 HydrophobicContact CB-CB 4.34Å; I372-K394 PolarHBondContact N-O 3.04Å; I372-K394 PolarHBondContact O-N 3.49Å
373Y98.9Very high98.2Very high1 Ų137.8 Ų37.80%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-112.9143.2175.6-55.2-81.4000111.1V240 Y243 S339 I340 H341 F342 V371 H392 V393 V397 F402V240-Y373 HydrophobicContact CG1-CD1 4.09Å; V240-Y373 HydrophobicContact CG1-CD2 3.72Å; V240-Y373 HydrophobicContact CG1-CE2 4.16Å; V240-Y373 HydrophobicContact CG1-CG 3.67Å; V240-Y373 HydrophobicContact CG2-CD1 4.29Å; V240-Y373 HydrophobicContact CG2-CG 4.47Å; Y243-Y373 VanDerWaalsContact CE1-OH 3.23Å; Y243-Y373 WeakPolarHBondContact CE1-OH 3.41Å; S339-Y373 WeakPolarHBondContact OG-CE2 3.45Å; I340-Y373 PolarHBondContact O-N 3.47Å; H341-Y373 HydrophobicContact CB-CD2 4.28Å; F342-Y373 PolarHBondContact N-O 3.03Å; V371-Y373 HydrophobicContact CB-CE2 4.36Å; V371-Y373 HydrophobicContact CG1-CE2 3.66Å; V371-Y373 WeakPolarHBondContact CG1-OH 3.42Å; V371-Y373 HydrophobicContact CG2-CE1 3.91Å; V371-Y373 HydrophobicContact CG2-CE2 3.9Å; Y373-H392 CarbonylContact C-O 3.39Å; Y373-H392 VanDerWaalsContact CA-O 3.3Å; Y373-H392 WeakPolarHBondContact CA-O 3.26Å; Y373-V393 HydrophobicContact CD1-CB 4.43Å; Y373-V393 HydrophobicContact CD1-CG1 4.28Å; Y373-V393 HydrophobicContact CD1-CG2 3.9Å; Y373-V393 HydrophobicContact CE1-CB 4.42Å; Y373-V393 HydrophobicContact CE1-CG1 3.9Å; Y373-V393 HydrophobicContact CE1-CG2 3.88Å; Y373-V397 HydrophobicContact CE1-CG1 4.07Å; Y373-V397 VanDerWaalsContact OH-CG1 3.22Å; Y373-V397 WeakPolarHBondContact OH-CG1 3.39Å; Y373-F402 AromaticContact CE1-CE2 3.89Å; Y373-F402 HydrophobicContact CE1-CE2 3.89Å
374E98.9Very high98.2Very high0 Ų037.9 Ų37.90%023%0.232CC..EExtended strand (participates in β ladder)trans-120.6135.7156.9-79.4-169.5-166.500109.9F342 C360 G361 M362 Q376 H392F342-E374 HydrophobicContact CB-CG 4.22Å; F342-E374 WeakPolarHBondContact O-CA 3.47Å; C360-E374 WeakPolarHBondContact CB-OE1 3.14Å; G361-E374 WeakPolarHBondContact CA-OE1 3.5Å; G361-E374 PolarHBondContact N-OE1 3.07Å; M362-E374 HydrophobicContact CE-CB 4.32Å; M362-E374 HydrophobicContact CE-CG 4.1Å; M362-E374 HydrophobicContact CG-CB 4.36Å; M362-E374 HydrophobicContact CG-CG 4.12Å; M362-E374 PolarHBondContact N-OE1 3.36Å; E374-Q376 PolarHBondContact OE2-NE2 3.45Å; E374-H392 HydrophobicContact CB-CB 4.27Å; E374-H392 PolarHBondContact N-O 2.95Å; E374-H392 PolarHBondContact O-N 3.27Å
375T98.9Very high98.4Very high0 Ų041.5 Ų41.50%023%0.234CC..EExtended strand (participates in β ladder)trans-113.1121.1169.552.80000109.9A236 N237 V240 H341 F342 D343 S344 A345 M390 I391A236-T375 HydrophobicContact CB-CG2 3.92Å; N237-T375 WeakPolarHBondContact OD1-CB 3.3Å; N237-T375 PolarHBondContact OD1-OG1 3.4Å; V240-T375 HydrophobicContact CG2-CG2 4.02Å; H341-T375 WeakPolarHBondContact NE2-CG2 3.5Å; H341-T375 PolarHBondContact NE2-OG1 3.16Å; F342-T375 PolarHBondContact O-N 2.92Å; D343-T375 PolarHBondContact OD1-OG1 3.07Å; S344-T375 CarbonylContact C-O 3.05Å; S344-T375 WeakPolarHBondContact CA-O 3.44Å; S344-T375 PolarHBondContact N-O 3.45Å; A345-T375 PolarHBondContact N-O 2.78Å; T375-M390 WeakPolarHBondContact CA-O 3.29Å; T375-I391 HydrophobicContact CG2-CG1 4.33Å
376Q98.9Very high98.4Very high4 Ų443.1 Ų43.12%0.01924%0.237CC..EExtended strand (participates in β ladder)trans-119134.5-171.8-66.3-1755.200110.9F221 T233 P348 E374 T378 S389 M390 H392F221-Q376 VanDerWaalsContact CE1-OE1 3.28Å; T233-Q376 PolarHBondContact OG1-O 2.87Å; P348-Q376 HydrophobicContact CB-CB 4.1Å; P348-Q376 HydrophobicContact CB-CG 4.35Å; E374-Q376 PolarHBondContact OE2-NE2 3.45Å; Q376-T378 PolarHBondContact O-N 3.02Å; Q376-S389 VanDerWaalsContact O-CA 3.24Å; Q376-S389 WeakPolarHBondContact O-CA 3.18Å; Q376-S389 WeakPolarHBondContact O-CB 3.33Å; Q376-S389 PolarHBondContact O-OG 3.33Å; Q376-M390 PolarHBondContact N-O 2.92Å; Q376-M390 PolarHBondContact O-N 3.19Å; Q376-H392 PolarHBondContact OE1-NE2 3.07Å
377S98.6Very high98.4Very high4 Ų441.5 Ų41.53%0.02824%0.235CC..  trans-88.992.8170-66.40000107.5T233 H379 K380T233-S377 VanDerWaalsContact CB-OG 3.29Å; T233-S377 WeakPolarHBondContact CB-OG 3.44Å; T233-S377 VanDerWaalsContact OG1-CA 3.23Å; T233-S377 WeakPolarHBondContact OG1-CA 3.24Å; T233-S377 WeakPolarHBondContact OG1-CB 3.5Å; T233-S377 PolarHBondContact OG1-N 2.89Å; T233-S377 PolarHBondContact OG1-OG 2.94Å; S377-H379 PolarHBondContact O-N 3.42Å; S377-H379 VanDerWaalsContact O-N 3.16Å; S377-K380 PolarHBondContact O-N 3.48Å
378T98.6Very high98.5Very high0 Ų039.9 Ų39.90%023%0.225CC..Hα-helixtrans-55.2-37.7-177.6-40.90000110.9Q376 K380 L382 A384 A388 M390 A425Q376-T378 PolarHBondContact O-N 3.02Å; T378-K380 VanDerWaalsContact C-N 3.28Å; T378-K380 PolarHBondContact O-N 2.91Å; T378-L382 HydrophobicContact CG2-CB 4.25Å; T378-L382 HydrophobicContact CG2-CD1 4.19Å; T378-L382 CarbonylContact O-C 3.59Å; T378-L382 WeakPolarHBondContact O-CA 3.47Å; T378-L382 VanDerWaalsContact O-CB 3.31Å; T378-L382 WeakPolarHBondContact O-CB 3.44Å; T378-L382 PolarHBondContact O-N 3.36Å; T378-A384 HydrophobicContact CG2-CB 3.62Å; T378-A388 PolarHBondContact N-O 2.79Å; T378-M390 HydrophobicContact CG2-CE 3.94Å; T378-A425 HydrophobicContact CG2-CB 3.49Å; T378-A425 VanDerWaalsContact CG2-CB 3.49Å
379H98.3Very high98.5Very high63 Ų6330.7 Ų30.729%0.29218%0.182SC..Hα-helixtrans-72.4-9-179.178.386.4000115.8S377 F385 A388S377-H379 PolarHBondContact O-N 3.42Å; S377-H379 VanDerWaalsContact O-N 3.16Å; H379-F385 VanDerWaalsContact CB-O 3.25Å; H379-F385 WeakPolarHBondContact CB-O 2.94Å; H379-A388 PolarHBondContact CD2-O 3.43Å
380K97.4Very high98.6Very high63 Ų6327.2 Ų27.227%0.27415%0.147SC..Hα-helixtrans-81.6-59-178.9-77.3-173-177.4-172.40112W346 S377 T378W346-K380 HydrophobicContact CD2-CD 4.22Å; W346-K380 HydrophobicContact CE3-CD 3.94Å; W346-K380 HydrophobicContact CH2-CD 3.99Å; W346-K380 HydrophobicContact CZ2-CD 4.23Å; W346-K380 HydrophobicContact CZ3-CB 4.44Å; W346-K380 HydrophobicContact CZ3-CD 3.83Å; W346-K380 HydrophobicContact CZ3-CG 4.48Å; S377-K380 PolarHBondContact O-N 3.48Å; T378-K380 VanDerWaalsContact C-N 3.28Å; T378-K380 PolarHBondContact O-N 2.91Å
381L98.1Very high98.6Very high5 Ų525.6 Ų25.63%0.02614%0.14CC..Hα-helixtrans-124.71.4-171.7-72.3171000114.3W346 P348 Y349 K503 L549W346-L381 HydrophobicContact CE3-CD1 3.92Å; W346-L381 WeakPolarHBondContact O-CD1 3.46Å; P348-L381 HydrophobicContact CG-CB 3.91Å; Y349-L381 HydrophobicContact CD1-CB 4.02Å; Y349-L381 HydrophobicContact CE1-CB 3.9Å; Y349-L381 HydrophobicContact CE1-CD1 3.73Å; Y349-L381 HydrophobicContact CE1-CG 4.4Å; L381-K503 VanDerWaalsContact CD1-CE 3.45Å; L381-L549 HydrophobicContact CD2-CB 4.1Å; L381-L549 HydrophobicContact CD2-CD1 4.12Å
382L98.6Very high98.6Very high12 Ų1224.9 Ų24.96%0.06314%0.135CC..SBendtrans-109.6-173.3159.6-55.1-179.4000109.5F221 P348 T378 A425 M429F221-L382 HydrophobicContact CE1-CD1 4.01Å; F221-L382 HydrophobicContact CZ-CD1 3.74Å; P348-L382 HydrophobicContact CB-CD1 3.93Å; P348-L382 HydrophobicContact CB-CG 3.92Å; P348-L382 HydrophobicContact CG-CD1 4.39Å; P348-L382 HydrophobicContact CG-CD2 4.45Å; P348-L382 HydrophobicContact CG-CG 3.81Å; T378-L382 HydrophobicContact CG2-CB 4.25Å; T378-L382 HydrophobicContact CG2-CD1 4.19Å; T378-L382 CarbonylContact O-C 3.59Å; T378-L382 WeakPolarHBondContact O-CA 3.47Å; T378-L382 VanDerWaalsContact O-CB 3.31Å; T378-L382 WeakPolarHBondContact O-CB 3.44Å; T378-L382 PolarHBondContact O-N 3.36Å; L382-A425 HydrophobicContact CB-CB 4.48Å; L382-M429 HydrophobicContact CD1-CG 4.24Å; L382-M429 HydrophobicContact CD2-CG 3.96Å; L382-M429 HydrophobicContact CD2-SD 3.77Å
383A98.4Very high98.6Very high45 Ų4524.9 Ų24.937%0.37214%0.135SC..SBendtrans-105.189.3-178.900000111.1A425 M428 I552A383-A425 WeakPolarHBondContact O-CB 3.36Å; A383-M428 HydrophobicContact CB-CE 3.81Å; A383-M428 HydrophobicContact CB-SD 3.85Å; A383-I552 HydrophobicContact CB-CD1 4.22Å
384A98.7Very high98.6Very high20 Ų2025.1 Ų25.117%0.16514%0.136CC..  trans-141.3161.6173.400000110.7T378 A388 A425T378-A384 HydrophobicContact CG2-CB 3.62Å; A384-A388 HydrophobicContact CB-CB 3.68Å; A384-A425 HydrophobicContact CB-CB 4.24Å
385F98.6Very high98.6Very high123 Ų12325.5 Ų25.554%0.53914%0.14SC..  trans-65.5151.7174.1-69.1-43.9000111.3H379 A388 G417 I418 S421H379-F385 VanDerWaalsContact CB-O 3.25Å; H379-F385 WeakPolarHBondContact CB-O 2.94Å; F385-A388 WeakPolarHBondContact O-CB 3.42Å; F385-A388 PolarHBondContact O-N 2.87Å; F385-G417 VanDerWaalsContact CD2-O 3.29Å; F385-G417 WeakPolarHBondContact CD2-O 3.31Å; F385-I418 HydrophobicContact CB-CG1 4.21Å; F385-S421 PolarHBondContact N-OG 3.29Å
386S98.5Very high98.6Very high87 Ų8731.5 Ų31.561%0.60817%0.172SC*.THydrogen-bonded Turntrans-49.1149.1171.9-67.40000111.3A388S386-A388 PolarHBondContact O-N 3.43Å
387Q98.3Very high98.5Very high94 Ų9432.4 Ų32.444%0.43918%0.178SC..THydrogen-bonded Turntrans71.9-10-171.6-45.3173-68.200115.7V229 T230 N231 G232 S389 I418V229-Q387 VanDerWaalsContact O-O 3.08Å; T230-Q387 CarbonylContact C-O 3.1Å; T230-Q387 WeakPolarHBondContact O-CB 3.29Å; N231-Q387 PolarHBondContact N-O 2.63Å; G232-Q387 VanDerWaalsContact CA-O 3.28Å; G232-Q387 WeakPolarHBondContact CA-O 3.48Å; G232-Q387 PolarHBondContact N-O 3.03Å; Q387-S389 PolarHBondContact O-N 3.03Å; Q387-I418 HydrophobicContact CB-CD1 4.26Å
388A98.8Very high98.5Very high0 Ų036.1 Ų36.10%020%0.197CC..  trans-66.1124.1170.900000111.5T378 H379 A384 F385 S386 I418 T422T378-A388 PolarHBondContact N-O 2.79Å; H379-A388 PolarHBondContact CD2-O 3.43Å; A384-A388 HydrophobicContact CB-CB 3.68Å; F385-A388 WeakPolarHBondContact O-CB 3.42Å; F385-A388 PolarHBondContact O-N 2.87Å; S386-A388 PolarHBondContact O-N 3.43Å; A388-I418 HydrophobicContact CB-CG2 4.08Å; A388-T422 VanDerWaalsContact CB-OG1 3.28Å; A388-T422 WeakPolarHBondContact CB-OG1 3.25Å
389S98.9Very high98.5Very high0 Ų040.2 Ų40.20%022%0.217CC..EExtended strand (participates in β ladder)trans-144.9158.7176.7-179.20000111.1V229 T233 Q376 Q387V229-S389 PolarHBondContact N-O 3.06Å; V229-S389 PolarHBondContact O-N 3.18Å; T233-S389 WeakPolarHBondContact CA-OG 3.27Å; T233-S389 PolarHBondContact N-OG 3.02Å; T233-S389 PolarHBondContact OG1-OG 2.91Å; Q376-S389 VanDerWaalsContact O-CA 3.24Å; Q376-S389 WeakPolarHBondContact O-CA 3.18Å; Q376-S389 WeakPolarHBondContact O-CB 3.33Å; Q376-S389 PolarHBondContact O-OG 3.33Å; Q387-S389 PolarHBondContact O-N 3.03Å
390M98.9Very high98.5Very high0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-125.5140.4177.5-63.8168.6178.800110I217 F221 Y227 T375 Q376 T378 T422I217-M390 HydrophobicContact CD1-CE 4.25Å; I217-M390 HydrophobicContact CG1-CE 4.32Å; I217-M390 HydrophobicContact CG2-CE 3.89Å; I217-M390 HydrophobicContact CG2-CG 4.41Å; I217-M390 HydrophobicContact CG2-SD 3.72Å; F221-M390 HydrophobicContact CD1-SD 4.48Å; F221-M390 HydrophobicContact CD2-SD 4.45Å; F221-M390 HydrophobicContact CE1-SD 4.12Å; F221-M390 HydrophobicContact CE2-CE 4.17Å; F221-M390 HydrophobicContact CE2-SD 4.11Å; F221-M390 HydrophobicContact CZ-CE 4.18Å; F221-M390 HydrophobicContact CZ-SD 3.94Å; Y227-M390 WeakPolarHBondContact O-CA 3.49Å; T375-M390 WeakPolarHBondContact CA-O 3.29Å; Q376-M390 PolarHBondContact N-O 2.92Å; Q376-M390 PolarHBondContact O-N 3.19Å; T378-M390 HydrophobicContact CG2-CE 3.94Å; M390-T422 HydrophobicContact CE-CG2 3.43Å; M390-T422 VanDerWaalsContact CE-CG2 3.43Å; M390-T422 WeakPolarHBondContact CE-O 3.37Å; M390-T422 HydrophobicContact CG-CG2 3.79Å; M390-T422 HydrophobicContact SD-CG2 4.46Å
391I99Very high98.6Very high0 Ų045.3 Ų45.30%025%0.247CC..EExtended strand (participates in β ladder)trans-104.3124.2160.9-56.2165.3000106.9S226 Y227 V229 A236 I239 V240 T375 V393 F402S226-I391 CarbonylContact C-O 3.54Å; S226-I391 WeakPolarHBondContact CA-O 3.36Å; Y227-I391 PolarHBondContact N-O 3.43Å; Y227-I391 PolarHBondContact O-N 2.78Å; V229-I391 HydrophobicContact CG2-CD1 3.86Å; V229-I391 HydrophobicContact CG2-CG1 4.01Å; A236-I391 HydrophobicContact CB-CD1 4.23Å; A236-I391 HydrophobicContact CB-CG1 3.72Å; I239-I391 HydrophobicContact CB-CD1 3.96Å; I239-I391 HydrophobicContact CD1-CD1 4.17Å; I239-I391 HydrophobicContact CG2-CD1 3.77Å; V240-I391 HydrophobicContact CG2-CD1 4.16Å; V240-I391 HydrophobicContact CG2-CG1 4.25Å; V240-I391 HydrophobicContact CG2-CG2 3.61Å; T375-I391 HydrophobicContact CG2-CG1 4.33Å; I391-V393 HydrophobicContact CG2-CG2 4.35Å; I391-F402 HydrophobicContact CD1-CE1 4.45Å; I391-F402 HydrophobicContact CD1-CZ 4.32Å; I391-F402 HydrophobicContact CG2-CZ 4.12Å
392H98.9Very high98.6Very high0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-109.2133.3172.7-59.2-53.3000109.7F221 A223 S226 M362 Y373 E374 Q376F221-H392 AromaticContact CD1-CE1 3.86Å; F221-H392 AromaticContact CD1-NE2 3.44Å; F221-H392 WeakPolarHBondContact CD1-NE2 3.38Å; F221-H392 AromaticContact CG-CE1 3.66Å; F221-H392 AromaticContact CG-NE2 3.74Å; A223-H392 HydrophobicContact CB-CB 3.75Å; S226-H392 PolarHBondContact OG-ND1 3.14Å; M362-H392 HydrophobicContact CE-CB 4.43Å; M362-H392 HydrophobicContact CG-CB 4.04Å; M362-H392 HydrophobicContact SD-CB 3.84Å; Y373-H392 CarbonylContact C-O 3.39Å; Y373-H392 VanDerWaalsContact CA-O 3.3Å; Y373-H392 WeakPolarHBondContact CA-O 3.26Å; E374-H392 HydrophobicContact CB-CB 4.27Å; E374-H392 PolarHBondContact N-O 2.95Å; E374-H392 PolarHBondContact O-N 3.27Å; Q376-H392 PolarHBondContact OE1-NE2 3.07Å
393V98.9Very high98.6Very high1 Ų145.9 Ų45.91%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-117.8131.5180-171.70000108.9D224 R225 Y227 V371 Y373 I391 V397D224-V393 WeakPolarHBondContact CB-O 3.32Å; D224-V393 PolarHBondContact N-O 2.76Å; R225-V393 HydrophobicContact CB-CB 4.19Å; R225-V393 HydrophobicContact CB-CG2 4.47Å; R225-V393 PolarHBondContact N-O 2.78Å; R225-V393 PolarHBondContact O-N 3.21Å; Y227-V393 HydrophobicContact CE2-CG2 4.3Å; V371-V393 HydrophobicContact CG2-CG1 3.67Å; Y373-V393 HydrophobicContact CD1-CB 4.43Å; Y373-V393 HydrophobicContact CD1-CG1 4.28Å; Y373-V393 HydrophobicContact CD1-CG2 3.9Å; Y373-V393 HydrophobicContact CE1-CB 4.42Å; Y373-V393 HydrophobicContact CE1-CG1 3.9Å; Y373-V393 HydrophobicContact CE1-CG2 3.88Å; I391-V393 HydrophobicContact CG2-CG2 4.35Å; V393-V397 HydrophobicContact CG1-CG1 3.84Å
394K98.8Very high98.6Very high6 Ų649 Ų493%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-124.2110168.8-174.974.662.471.30108.4N222 D224 M362 G364 R366 I372N222-K394 WeakPolarHBondContact O-CE 3.13Å; N222-K394 PolarHBondContact O-NZ 2.84Å; D224-K394 VanDerWaalsContact OD2-CA 3.32Å; D224-K394 WeakPolarHBondContact OD2-CA 3.26Å; D224-K394 WeakPolarHBondContact OD2-CD 3.08Å; M362-K394 HydrophobicContact CE-CB 3.76Å; M362-K394 PolarHBondContact O-NZ 2.95Å; M362-K394 HydrophobicContact SD-CB 3.83Å; G364-K394 PolarHBondContact O-NZ 3.03Å; R366-K394 HydrophobicContact CG-CD 4Å; R366-K394 HydrophobicContact CG-CG 4.18Å; I372-K394 HydrophobicContact CB-CB 4.34Å; I372-K394 PolarHBondContact N-O 3.04Å; I372-K394 PolarHBondContact O-N 3.49Å
395G98.3Very high98.6Very high8 Ų848.2 Ų48.28%0.08225%0.251CS..SBendtrans119.5-174.2-168.300000112.5D224D224-G395 PolarHBondContact OD2-N 3.29Å
396D98.2Very high98.6Very high127 Ų12742.4 Ų42.468%0.67923%0.225SC*.  trans-97.4135.9-175.1-61.9-53.3000112R366R366-D396 IonicContact CZ-OD1 2.93Å; R366-D396 IonicContact NH1-OD1 3.01Å; R366-D396 PolarHBondContact NH1-OD1 2.85Å; R366-D396 IonicContact NH1-OD2 3.62Å; R366-D396 PolarHBondContact NH1-OD2 2.99Å; R366-D396 IonicContact NH2-OD1 3.4Å
397V98.5Very high98.6Very high23 Ų2341 Ų4114%0.13921%0.21CC..  trans-125.8155.5169.6-65.20000109.2Y243 V371 Y373 V393 E399 F402Y243-V397 HydrophobicContact CE1-CB 4.32Å; Y243-V397 HydrophobicContact CE1-CG1 3.99Å; Y243-V397 WeakPolarHBondContact OH-CA 3.25Å; Y243-V397 WeakPolarHBondContact OH-CB 3.28Å; V371-V397 HydrophobicContact CG2-CG1 3.9Å; Y373-V397 HydrophobicContact CE1-CG1 4.07Å; Y373-V397 VanDerWaalsContact OH-CG1 3.22Å; Y373-V397 WeakPolarHBondContact OH-CG1 3.39Å; V393-V397 HydrophobicContact CG1-CG1 3.84Å; V397-E399 WeakPolarHBondContact CG2-OE1 3.47Å; V397-E399 PolarHBondContact O-N 3.45Å; V397-E399 VanDerWaalsContact O-N 3.11Å; V397-F402 HydrophobicContact CB-CD2 4.42Å; V397-F402 HydrophobicContact CG1-CD2 4.32Å; V397-F402 HydrophobicContact CG2-CB 4.35Å; V397-F402 HydrophobicContact CG2-CG 4.5Å
398N98.5Very high98.6Very high81 Ų8142.7 Ų42.743%0.43322%0.219SC..  trans-73.5101.3163.6-178-49.1000107.2Y243 E400 T401 F402Y243-N398 PolarHBondContact OH-N 2.83Å; N398-E400 VanDerWaalsContact C-N 3.26Å; N398-E400 PolarHBondContact O-N 3.47Å; N398-E400 PolarHBondContact OD1-N 3.18Å; N398-T401 VanDerWaalsContact CG-OG1 3.23Å; N398-T401 PolarHBondContact O-N 2.9Å; N398-T401 PolarHBondContact OD1-N 2.81Å; N398-T401 PolarHBondContact OD1-OG1 3.44Å; N398-T401 VanDerWaalsContact OD1-OG1 3.09Å; N398-F402 WeakPolarHBondContact O-CB 3.46Å; N398-F402 PolarHBondContact O-N 3.49Å
399E97.7Very high98.6Very high86 Ų8644.9 Ų44.940%0.40223%0.229SC..Hα-helixtrans-55.6-39.1-174.6-69.5-77.8130.500112.4R225 Y227 V397 N403R225-E399 IonicContact NE-OE2 3.69Å; R225-E399 PolarHBondContact NE-OE2 3.09Å; R225-E399 VanDerWaalsContact NE-OE2 3.15Å; Y227-E399 PolarHBondContact OH-OE2 3.48Å; V397-E399 WeakPolarHBondContact CG2-OE1 3.47Å; V397-E399 PolarHBondContact O-N 3.45Å; V397-E399 VanDerWaalsContact O-N 3.11Å; E399-N403 VanDerWaalsContact O-CB 3.29Å; E399-N403 WeakPolarHBondContact O-CB 3.38Å; E399-N403 PolarHBondContact O-N 2.98Å
400E98.4Very high98.6Very high159 Ų15945.4 Ų45.474%0.74323%0.233SC*.Hα-helixtrans-67-47.6179.1-65.7171.3-179.400111N398 F402 N403 E404N398-E400 VanDerWaalsContact C-N 3.26Å; N398-E400 PolarHBondContact O-N 3.47Å; N398-E400 PolarHBondContact OD1-N 3.18Å; E400-F402 VanDerWaalsContact C-N 3.34Å; E400-F402 PolarHBondContact O-N 3.09Å; E400-N403 PolarHBondContact O-N 3.4Å; E400-E404 WeakPolarHBondContact O-CG 3.47Å; E400-E404 PolarHBondContact O-N 3.47Å
401T98.7Very high98.5Very high74 Ų7448.9 Ų48.945%0.45425%0.254SS..Hα-helixtrans-67.2-37.1178.8-540000111.6Y243 N398 E404 A405Y243-T401 HydrophobicContact CD2-CG2 4.06Å; Y243-T401 HydrophobicContact CE2-CG2 4.04Å; N398-T401 VanDerWaalsContact CG-OG1 3.23Å; N398-T401 PolarHBondContact O-N 2.9Å; N398-T401 PolarHBondContact OD1-N 2.81Å; N398-T401 PolarHBondContact OD1-OG1 3.44Å; N398-T401 VanDerWaalsContact OD1-OG1 3.09Å; T401-E404 PolarHBondContact O-N 3.41Å; T401-A405 PolarHBondContact O-N 2.89Å
402F98.8Very high98.4Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-67.2-39.5175.3-163.4-82.6000110.9Y227 I239 V240 Y243 Y373 I391 V397 N398 E400 A405 Y406Y227-F402 HydrophobicContact CD1-CD1 4.47Å; Y227-F402 HydrophobicContact CD1-CE1 4.33Å; Y227-F402 HydrophobicContact CD2-CD1 4.2Å; Y227-F402 AromaticContact CD2-CE1 3.65Å; Y227-F402 HydrophobicContact CD2-CE1 3.65Å; Y227-F402 AromaticContact CE1-CD1 3.9Å; Y227-F402 HydrophobicContact CE1-CD1 3.9Å; Y227-F402 HydrophobicContact CE1-CE1 4.18Å; Y227-F402 AromaticContact CE2-CD1 3.59Å; Y227-F402 HydrophobicContact CE2-CD1 3.59Å; Y227-F402 AromaticContact CE2-CE1 3.48Å; Y227-F402 HydrophobicContact CE2-CE1 3.48Å; Y227-F402 VanDerWaalsContact CE2-CE1 3.48Å; Y227-F402 HydrophobicContact CE2-CZ 4.41Å; Y227-F402 HydrophobicContact CG-CE1 4.1Å; Y227-F402 AromaticContact CZ-CD1 3.43Å; Y227-F402 VanDerWaalsContact CZ-CD1 3.43Å; Y227-F402 AromaticContact CZ-CE1 3.78Å; I239-F402 HydrophobicContact CG2-CE1 4.08Å; I239-F402 HydrophobicContact CG2-CZ 4.09Å; V240-F402 HydrophobicContact CG2-CZ 4.31Å; Y243-F402 AromaticContact CD1-CD2 3.65Å; Y243-F402 HydrophobicContact CD1-CD2 3.65Å; Y243-F402 HydrophobicContact CD1-CE2 4.03Å; Y243-F402 HydrophobicContact CD2-CB 3.91Å; Y243-F402 AromaticContact CD2-CD2 3.7Å; Y243-F402 HydrophobicContact CD2-CD2 3.7Å; Y243-F402 HydrophobicContact CD2-CG 4.23Å; Y243-F402 HydrophobicContact CE1-CD2 4Å; Y243-F402 HydrophobicContact CE2-CB 3.88Å; Y243-F402 HydrophobicContact CE2-CD2 4.02Å; Y243-F402 HydrophobicContact CE2-CG 4.46Å; Y243-F402 AromaticContact CG-CD2 3.5Å; Y243-F402 HydrophobicContact CG-CD2 3.5Å; Y243-F402 HydrophobicContact CG-CE2 4.07Å; Y243-F402 HydrophobicContact CG-CG 4.42Å; Y373-F402 AromaticContact CE1-CE2 3.89Å; Y373-F402 HydrophobicContact CE1-CE2 3.89Å; I391-F402 HydrophobicContact CD1-CE1 4.45Å; I391-F402 HydrophobicContact CD1-CZ 4.32Å; I391-F402 HydrophobicContact CG2-CZ 4.12Å; V397-F402 HydrophobicContact CB-CD2 4.42Å; V397-F402 HydrophobicContact CG1-CD2 4.32Å; V397-F402 HydrophobicContact CG2-CB 4.35Å; V397-F402 HydrophobicContact CG2-CG 4.5Å; N398-F402 WeakPolarHBondContact O-CB 3.46Å; N398-F402 PolarHBondContact O-N 3.49Å; E400-F402 VanDerWaalsContact C-N 3.34Å; E400-F402 PolarHBondContact O-N 3.09Å; F402-A405 PolarHBondContact O-N 3.04Å; F402-Y406 WeakPolarHBondContact O-CB 3.26Å; F402-Y406 PolarHBondContact O-N 3.46Å
403N98.7Very high98.3Very high30 Ų3058.1 Ų58.116%0.1631%0.314CS..Hα-helixtrans-66.4-37.3176.1-166.124.5000112.1L204 H206 E399 E400 A405 Y406 M407L204-N403 PolarHBondContact O-ND2 2.8Å; H206-N403 PolarHBondContact NE2-OD1 3.32Å; E399-N403 VanDerWaalsContact O-CB 3.29Å; E399-N403 WeakPolarHBondContact O-CB 3.38Å; E399-N403 PolarHBondContact O-N 2.98Å; E400-N403 PolarHBondContact O-N 3.4Å; N403-A405 PolarHBondContact O-N 2.95Å; N403-Y406 WeakPolarHBondContact O-CB 3.47Å; N403-Y406 PolarHBondContact O-N 2.79Å; N403-Y406 VanDerWaalsContact O-N 3.16Å; N403-M407 WeakPolarHBondContact O-CB 3.24Å; N403-M407 WeakPolarHBondContact O-CG 3.39Å; N403-M407 PolarHBondContact O-N 2.8Å
404E98.7Very high98.3Very high109 Ų10958.4 Ų58.451%0.50932%0.316SS..Hα-helixtrans-57.4-47.8171-73-64.4163.100111.4E400 T401 Y406 M407 M408E400-E404 WeakPolarHBondContact O-CG 3.47Å; E400-E404 PolarHBondContact O-N 3.47Å; T401-E404 PolarHBondContact O-N 3.41Å; E404-Y406 VanDerWaalsContact C-N 3.29Å; E404-Y406 PolarHBondContact O-N 3.5Å; E404-M407 PolarHBondContact O-N 3.31Å; E404-M408 HydrophobicContact CB-CE 4.16Å; E404-M408 VanDerWaalsContact O-CG 3.31Å; E404-M408 WeakPolarHBondContact O-CG 3.49Å; E404-M408 PolarHBondContact O-N 3Å
405A98.7Very high98.3Very high5 Ų561.7 Ų61.74%0.04133%0.331CS..Hα-helixtrans-62.2-35.4175.700000112.8I239 T401 F402 N403 H409I239-A405 HydrophobicContact CG2-CB 4.45Å; T401-A405 PolarHBondContact O-N 2.89Å; F402-A405 PolarHBondContact O-N 3.04Å; N403-A405 PolarHBondContact O-N 2.95Å; A405-H409 PolarHBondContact O-CD2 3.07Å
406Y98.8Very high98.3Very high0 Ų061.4 Ų61.40%033%0.327CS..Hα-helixtrans-65.6-48.7174.7175.1-95.8000111.7L203 H206 Y227 M228 V229 I239 F402 N403 E404 H409 T410L203-Y406 WeakPolarHBondContact CD2-OH 3.3Å; L203-Y406 WeakPolarHBondContact CG-OH 3.13Å; H206-Y406 AromaticContact CE1-CE1 3.93Å; Y227-Y406 HydrophobicContact CD1-CD2 4.08Å; Y227-Y406 HydrophobicContact CD1-CE2 4.43Å; Y227-Y406 HydrophobicContact CD1-CG 4.32Å; M228-Y406 WeakPolarHBondContact O-CE2 3.18Å; M228-Y406 PolarHBondContact O-OH 3.46Å; V229-Y406 HydrophobicContact CG2-CE2 4.11Å; I239-Y406 HydrophobicContact CD1-CD2 3.95Å; F402-Y406 WeakPolarHBondContact O-CB 3.26Å; F402-Y406 PolarHBondContact O-N 3.46Å; N403-Y406 WeakPolarHBondContact O-CB 3.47Å; N403-Y406 PolarHBondContact O-N 2.79Å; N403-Y406 VanDerWaalsContact O-N 3.16Å; E404-Y406 VanDerWaalsContact C-N 3.29Å; E404-Y406 PolarHBondContact O-N 3.5Å; Y406-H409 PolarHBondContact O-N 3.28Å; Y406-T410 HydrophobicContact CE1-CG2 4.09Å; Y406-T410 WeakPolarHBondContact O-CB 3.39Å; Y406-T410 PolarHBondContact O-N 3.41Å; Y406-T410 VanDerWaalsContact O-N 3.12Å; Y406-T410 PolarHBondContact O-OG1 2.84Å
407M98.5Very high98.3Very high59 Ų5955.8 Ų55.829%0.29130%0.3SS..Hα-helixtrans-67.6-33.6-179.8-69.9-170.8-64.900112.8L204 N403 E404 H409 T410L204-M407 HydrophobicContact CB-CG 4.39Å; L204-M407 HydrophobicContact CB-SD 4.41Å; L204-M407 HydrophobicContact CD2-CG 4.38Å; L204-M407 HydrophobicContact CG-CG 4.25Å; N403-M407 WeakPolarHBondContact O-CB 3.24Å; N403-M407 WeakPolarHBondContact O-CG 3.39Å; N403-M407 PolarHBondContact O-N 2.8Å; E404-M407 PolarHBondContact O-N 3.31Å; M407-H409 PolarHBondContact O-N 2.92Å; M407-T410 PolarHBondContact O-N 2.82Å
408M98.5Very high98.3Very high128 Ų12855.3 Ų55.363%0.63130%0.296SS*.THydrogen-bonded Turntrans-54.8-25.7173.7-79.8-175.9-119.700113.5E404E404-M408 HydrophobicContact CB-CE 4.16Å; E404-M408 VanDerWaalsContact O-CG 3.31Å; E404-M408 WeakPolarHBondContact O-CG 3.49Å; E404-M408 PolarHBondContact O-N 3Å
409H98.6Very high98.3Very high46 Ų4651.4 Ų51.421%0.21328%0.275CS..THydrogen-bonded Turntrans-117.4-1.4-175.7-70.1-55.4000114.5T235 I239 M242 A405 Y406 M407T235-H409 HydrophobicContact CG2-CB 3.65Å; I239-H409 HydrophobicContact CD1-CB 4.1Å; I239-H409 HydrophobicContact CG1-CB 3.72Å; M242-H409 PolarHBondContact SD-NE2 3.04Å; A405-H409 PolarHBondContact O-CD2 3.07Å; Y406-H409 PolarHBondContact O-N 3.28Å; M407-H409 PolarHBondContact O-N 2.92Å
410T98.2Very high98.4Very high12 Ų1247.7 Ų47.77%0.07426%0.259CS..SBendtrans-107.2130.7-178-56.10000109.6L203 L204 Y406 M407L203-T410 HydrophobicContact CD2-CG2 4.34Å; L204-T410 HydrophobicContact CD1-CG2 3.87Å; Y406-T410 HydrophobicContact CE1-CG2 4.09Å; Y406-T410 WeakPolarHBondContact O-CB 3.39Å; Y406-T410 PolarHBondContact O-N 3.41Å; Y406-T410 VanDerWaalsContact O-N 3.12Å; Y406-T410 PolarHBondContact O-OG1 2.84Å; M407-T410 PolarHBondContact O-N 2.82Å
411T97.8Very high98.4Very high73 Ų7340.8 Ų40.845%0.44823%0.229SC..  trans-63.3143.7175.3176.10000110.8S413T411-S413 WeakPolarHBondContact CG2-O 3.49Å; T411-S413 PolarHBondContact O-N 2.89Å; T411-S413 PolarHBondContact OG1-N 3.08Å
412T96.3Very high98.4Very high106 Ų10637.3 Ų37.365%0.6521%0.207SC*.SBendtrans-68.7-9.8174.2590000113.3L204L204-T412 HydrophobicContact CD2-CG2 4.34Å
413S97.6Very high98.4Very high87 Ų8737.3 Ų37.361%0.60821%0.207SC*.SBendtrans-125.971.6177.3-58.30000109.9T411T411-S413 WeakPolarHBondContact CG2-O 3.49Å; T411-S413 PolarHBondContact O-N 2.89Å; T411-S413 PolarHBondContact OG1-N 3.08Å
414P97.8Very high98.4Very high7 Ų738 Ų385%0.04521%0.213CC..  trans-66.8150.9-179.929.4-35.1000110.9L203 T230 Y416L203-P414 HydrophobicContact CB-CG 4.04Å; L203-P414 HydrophobicContact CD2-CB 3.53Å; L203-P414 HydrophobicContact CD2-CG 3.76Å; T230-P414 HydrophobicContact CG2-CB 4.24Å; P414-Y416 HydrophobicContact CG-CE1 4.04Å; P414-Y416 VanDerWaalsContact O-CD1 3.29Å; P414-Y416 WeakPolarHBondContact O-CD1 3.45Å; P414-Y416 PolarHBondContact O-N 3.35Å
415H98.3Very high98.4Very high76 Ų7632.9 Ų32.935%0.35219%0.189SC..  trans-83.7111.9177.3-176.9-88.4000110.6D192 G417 I418 V419D192-H415 IonicContact OD1-CD2 3.9Å; H415-G417 PolarHBondContact ND1-N 3.02Å; H415-G417 PolarHBondContact O-N 3.14Å; H415-I418 HydrophobicContact CB-CB 4.49Å; H415-I418 HydrophobicContact CB-CD1 4.02Å; H415-I418 HydrophobicContact CB-CG1 4.29Å; H415-I418 PolarHBondContact ND1-N 2.94Å; H415-I418 WeakPolarHBondContact O-CB 3.47Å; H415-I418 PolarHBondContact O-N 3.43Å; H415-V419 PolarHBondContact O-N 2.93Å
416Y98.2Very high98.4Very high1 Ų132.6 Ų32.60%0.00419%0.187CC..Hα-helixtrans-67.3-25-170.2-81.848.3000112.8I193 L200 H210 P414 I418 V419 A420I193-Y416 HydrophobicContact CD1-CD2 3.46Å; I193-Y416 VanDerWaalsContact CD1-CD2 3.46Å; I193-Y416 HydrophobicContact CD1-CE2 3.69Å; I193-Y416 HydrophobicContact CD1-CG 4.19Å; I193-Y416 HydrophobicContact CG1-CD1 4.3Å; I193-Y416 HydrophobicContact CG1-CD2 3.5Å; I193-Y416 VanDerWaalsContact CG1-CD2 3.5Å; I193-Y416 HydrophobicContact CG1-CE2 3.92Å; I193-Y416 HydrophobicContact CG1-CG 3.71Å; L200-Y416 HydrophobicContact CB-CE2 4.26Å; L200-Y416 HydrophobicContact CD2-CD2 3.85Å; L200-Y416 HydrophobicContact CD2-CE2 3.89Å; H210-Y416 AromaticContact CE1-CE2 3.77Å; H210-Y416 AromaticContact CE1-CZ 4Å; P414-Y416 HydrophobicContact CG-CE1 4.04Å; P414-Y416 VanDerWaalsContact O-CD1 3.29Å; P414-Y416 WeakPolarHBondContact O-CD1 3.45Å; P414-Y416 PolarHBondContact O-N 3.35Å; Y416-I418 VanDerWaalsContact C-N 3.32Å; Y416-I418 PolarHBondContact O-N 2.74Å; Y416-V419 PolarHBondContact O-N 2.65Å; Y416-A420 VanDerWaalsContact O-CB 3.29Å; Y416-A420 WeakPolarHBondContact O-CB 3.44Å; Y416-A420 PolarHBondContact O-N 2.9Å
417G98.5Very high98.4Very high9 Ų933.6 Ų33.69%0.09320%0.195CC..Hα-helixtrans-62.6-36.8169.900000112.9F385 H415 S421F385-G417 VanDerWaalsContact CD2-O 3.29Å; F385-G417 WeakPolarHBondContact CD2-O 3.31Å; H415-G417 PolarHBondContact ND1-N 3.02Å; H415-G417 PolarHBondContact O-N 3.14Å; G417-S421 WeakPolarHBondContact O-CB 3.43Å; G417-S421 PolarHBondContact O-N 2.92Å
418I98.8Very high98.4Very high13 Ų1334.3 Ų34.37%0.06720%0.198CC..Hα-helixtrans-70.5-45.2178-69.4171.7000109.3T230 F385 Q387 A388 H415 Y416 S421 T422T230-I418 HydrophobicContact CG2-CG2 4.08Å; F385-I418 HydrophobicContact CB-CG1 4.21Å; Q387-I418 HydrophobicContact CB-CD1 4.26Å; A388-I418 HydrophobicContact CB-CG2 4.08Å; H415-I418 HydrophobicContact CB-CB 4.49Å; H415-I418 HydrophobicContact CB-CD1 4.02Å; H415-I418 HydrophobicContact CB-CG1 4.29Å; H415-I418 PolarHBondContact ND1-N 2.94Å; H415-I418 WeakPolarHBondContact O-CB 3.47Å; H415-I418 PolarHBondContact O-N 3.43Å; Y416-I418 VanDerWaalsContact C-N 3.32Å; Y416-I418 PolarHBondContact O-N 2.74Å; I418-S421 PolarHBondContact O-N 3.22Å; I418-S421 PolarHBondContact O-OG 3.44Å; I418-T422 PolarHBondContact O-N 3.4Å; I418-T422 PolarHBondContact O-OG1 2.99Å
419V98.8Very high98.4Very high0 Ų028.3 Ų28.30%017%0.169CC..Hα-helixtrans-58.2-50.7176.5-176.30000110.9L145 L203 M228 T230 H415 Y416 S421 T422 E423L145-V419 HydrophobicContact CD1-CG1 3.73Å; L145-V419 HydrophobicContact CD2-CG1 4.21Å; L203-V419 HydrophobicContact CD2-CG2 4.09Å; M228-V419 HydrophobicContact CE-CG1 3.54Å; M228-V419 HydrophobicContact SD-CG1 3.74Å; T230-V419 HydrophobicContact CG2-CG2 3.67Å; H415-V419 PolarHBondContact O-N 2.93Å; Y416-V419 PolarHBondContact O-N 2.65Å; V419-S421 VanDerWaalsContact C-N 3.33Å; V419-S421 PolarHBondContact O-N 2.77Å; V419-T422 VanDerWaalsContact O-CB 3.3Å; V419-T422 WeakPolarHBondContact O-CB 3.48Å; V419-T422 PolarHBondContact O-N 2.77Å; V419-T422 VanDerWaalsContact O-N 3.1Å; V419-E423 PolarHBondContact O-N 3.3Å; V419-E423 VanDerWaalsContact O-N 3.13Å
420A98.7Very high98.3Very high7 Ų731.4 Ų31.46%0.05818%0.182CC..Hα-helixtrans-61.7-38.5177.800000112.6L145 T146 L149 Y416 T422 E423 T424L145-A420 HydrophobicContact CD2-CB 4.05Å; T146-A420 HydrophobicContact CG2-CB 4.44Å; T146-A420 PolarHBondContact OG1-O 3.08Å; L149-A420 HydrophobicContact CD2-CB 3.75Å; Y416-A420 VanDerWaalsContact O-CB 3.29Å; Y416-A420 WeakPolarHBondContact O-CB 3.44Å; Y416-A420 PolarHBondContact O-N 2.9Å; A420-T422 VanDerWaalsContact C-N 3.29Å; A420-T422 PolarHBondContact O-N 2.81Å; A420-E423 PolarHBondContact O-N 3.43Å; A420-T424 VanDerWaalsContact O-CB 3.24Å; A420-T424 WeakPolarHBondContact O-CB 3.12Å; A420-T424 PolarHBondContact O-N 3.25Å; A420-T424 PolarHBondContact O-OG1 3.49Å
421S98.8Very high98.1Very high15 Ų1532.7 Ų32.711%0.10520%0.198CC..Hα-helixtrans-65.9-32.6175.6790000112.7F385 G417 I418 V419 A425F385-S421 PolarHBondContact N-OG 3.29Å; G417-S421 WeakPolarHBondContact O-CB 3.43Å; G417-S421 PolarHBondContact O-N 2.92Å; I418-S421 PolarHBondContact O-N 3.22Å; I418-S421 PolarHBondContact O-OG 3.44Å; V419-S421 VanDerWaalsContact C-N 3.33Å; V419-S421 PolarHBondContact O-N 2.77Å; S421-A425 WeakPolarHBondContact O-CB 2.93Å; S421-A425 PolarHBondContact O-N 3.16Å
422T98.9Very high97.9Very high0 Ų031.8 Ų31.80%019%0.19CC..Hα-helixtrans-65.9-47.5176.8-52.50000110.2I217 M228 A388 M390 I418 V419 A420 A426I217-T422 HydrophobicContact CD1-CG2 4.5Å; M228-T422 HydrophobicContact CB-CG2 4.37Å; M228-T422 HydrophobicContact CG-CG2 3.98Å; M228-T422 HydrophobicContact SD-CG2 4.37Å; A388-T422 VanDerWaalsContact CB-OG1 3.28Å; A388-T422 WeakPolarHBondContact CB-OG1 3.25Å; M390-T422 HydrophobicContact CE-CG2 3.43Å; M390-T422 VanDerWaalsContact CE-CG2 3.43Å; M390-T422 WeakPolarHBondContact CE-O 3.37Å; M390-T422 HydrophobicContact CG-CG2 3.79Å; M390-T422 HydrophobicContact SD-CG2 4.46Å; I418-T422 PolarHBondContact O-N 3.4Å; I418-T422 PolarHBondContact O-OG1 2.99Å; V419-T422 VanDerWaalsContact O-CB 3.3Å; V419-T422 WeakPolarHBondContact O-CB 3.48Å; V419-T422 PolarHBondContact O-N 2.77Å; V419-T422 VanDerWaalsContact O-N 3.1Å; A420-T422 VanDerWaalsContact C-N 3.29Å; A420-T422 PolarHBondContact O-N 2.81Å; T422-A426 PolarHBondContact O-N 2.91Å
423E98.9Very high97.7Very high0 Ų028.7 Ų28.70%018%0.175CC..Hα-helixtrans-68.3-40.2176.4-170.7-161-14700112.3P143 P144 L145 T146 A213 I217 V419 A420 A425 A426 A427P143-E423 VanDerWaalsContact CB-CD 3.42Å; P143-E423 HydrophobicContact CB-CG 3.65Å; P143-E423 HydrophobicContact CG-CG 3.77Å; P143-E423 WeakPolarHBondContact CG-OE2 3.48Å; P144-E423 WeakPolarHBondContact CD-OE1 3.46Å; P144-E423 VanDerWaalsContact CG-OE1 3.3Å; P144-E423 WeakPolarHBondContact CG-OE1 3.5Å; L145-E423 WeakPolarHBondContact CB-OE2 3.44Å; L145-E423 PolarHBondContact N-OE1 3.37Å; L145-E423 PolarHBondContact N-OE2 3.42Å; T146-E423 WeakPolarHBondContact CB-OE2 3.31Å; T146-E423 PolarHBondContact N-OE2 2.95Å; T146-E423 PolarHBondContact OG1-OE2 2.83Å; A213-E423 WeakPolarHBondContact CA-OE1 3.47Å; A213-E423 HydrophobicContact CB-CB 4.49Å; A213-E423 HydrophobicContact CB-CG 3.93Å; A213-E423 WeakPolarHBondContact CB-OE1 3.19Å; I217-E423 HydrophobicContact CD1-CB 4.43Å; V419-E423 PolarHBondContact O-N 3.3Å; V419-E423 VanDerWaalsContact O-N 3.13Å; A420-E423 PolarHBondContact O-N 3.43Å; E423-A425 VanDerWaalsContact C-N 3.31Å; E423-A425 PolarHBondContact O-N 3.08Å; E423-A426 WeakPolarHBondContact O-CA 3.39Å; E423-A426 VanDerWaalsContact O-CB 3.31Å; E423-A426 WeakPolarHBondContact O-CB 3.46Å; E423-A426 PolarHBondContact O-N 3.41Å; E423-A426 VanDerWaalsContact O-N 3.08Å; E423-A427 PolarHBondContact O-N 3.43Å
424T98.7Very high97.6Very high45 Ų4524.6 Ų24.628%0.27615%0.147SC..Hα-helixtrans-64-37177.8-60.60000111.4T146 A420 A426 A427 M428T146-T424 PolarHBondContact OG1-OG1 2.76Å; A420-T424 VanDerWaalsContact O-CB 3.24Å; A420-T424 WeakPolarHBondContact O-CB 3.12Å; A420-T424 PolarHBondContact O-N 3.25Å; A420-T424 PolarHBondContact O-OG1 3.49Å; T424-A426 VanDerWaalsContact C-N 3.27Å; T424-A426 PolarHBondContact O-N 2.96Å; T424-A427 WeakPolarHBondContact O-CA 3.03Å; T424-A427 WeakPolarHBondContact O-CB 3.19Å; T424-A427 PolarHBondContact O-N 3.18Å; T424-M428 WeakPolarHBondContact O-CG 3.3Å; T424-M428 PolarHBondContact O-N 3.36Å
425A98.8Very high97.5Very high1 Ų129.7 Ų29.71%0.00817%0.168CC..Hα-helixtrans-58.7-40172.100000111.9T378 L382 A383 A384 S421 E423 A427 M428 M429T378-A425 HydrophobicContact CG2-CB 3.49Å; T378-A425 VanDerWaalsContact CG2-CB 3.49Å; L382-A425 HydrophobicContact CB-CB 4.48Å; A383-A425 WeakPolarHBondContact O-CB 3.36Å; A384-A425 HydrophobicContact CB-CB 4.24Å; S421-A425 WeakPolarHBondContact O-CB 2.93Å; S421-A425 PolarHBondContact O-N 3.16Å; E423-A425 VanDerWaalsContact C-N 3.31Å; E423-A425 PolarHBondContact O-N 3.08Å; A425-A427 VanDerWaalsContact C-N 3.34Å; A425-M428 PolarHBondContact O-N 3.21Å; A425-M429 WeakPolarHBondContact O-CG 3.44Å; A425-M429 PolarHBondContact O-N 3.1Å
426A98.8Very high97.4Very high0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-65-37.6172.800000112.2Y216 I217 V220 F221 T422 E423 T424 M429 K430Y216-A426 HydrophobicContact CD1-CB 4.21Å; Y216-A426 HydrophobicContact CE1-CB 4Å; I217-A426 HydrophobicContact CB-CB 4.5Å; I217-A426 HydrophobicContact CG1-CB 3.8Å; V220-A426 HydrophobicContact CB-CB 4.46Å; V220-A426 HydrophobicContact CG1-CB 4.33Å; V220-A426 WeakPolarHBondContact CG1-O 3.42Å; F221-A426 HydrophobicContact CD2-CB 4.35Å; F221-A426 HydrophobicContact CE2-CB 3.64Å; T422-A426 PolarHBondContact O-N 2.91Å; E423-A426 WeakPolarHBondContact O-CA 3.39Å; E423-A426 VanDerWaalsContact O-CB 3.31Å; E423-A426 WeakPolarHBondContact O-CB 3.46Å; E423-A426 PolarHBondContact O-N 3.41Å; E423-A426 VanDerWaalsContact O-N 3.08Å; T424-A426 VanDerWaalsContact C-N 3.27Å; T424-A426 PolarHBondContact O-N 2.96Å; A426-M429 PolarHBondContact O-N 3.29Å; A426-K430 PolarHBondContact O-N 2.78Å
427A98.6Very high97.3Very high21 Ų2134.1 Ų34.117%0.17419%0.186CC..Hα-helixtrans-64.8-39175.600000113.1P143 Y216 E423 T424 A425 M429 K430P143-A427 HydrophobicContact CB-CB 4.08Å; P143-A427 HydrophobicContact CG-CB 3.81Å; Y216-A427 HydrophobicContact CE1-CB 4.25Å; Y216-A427 VanDerWaalsContact OH-CA 3.31Å; Y216-A427 WeakPolarHBondContact OH-CA 3.38Å; E423-A427 PolarHBondContact O-N 3.43Å; T424-A427 WeakPolarHBondContact O-CA 3.03Å; T424-A427 WeakPolarHBondContact O-CB 3.19Å; T424-A427 PolarHBondContact O-N 3.18Å; A425-A427 VanDerWaalsContact C-N 3.34Å; A427-M429 PolarHBondContact O-N 2.87Å; A427-K430 PolarHBondContact O-N 3.34Å
428M98.3Very high97.3Very high73 Ų7333.9 Ų33.936%0.3618%0.183SC..Hα-helixtrans-63.2-32.4174.5-67174.565.900112.5A383 T424 A425 G434A383-M428 HydrophobicContact CB-CE 3.81Å; A383-M428 HydrophobicContact CB-SD 3.85Å; T424-M428 WeakPolarHBondContact O-CG 3.3Å; T424-M428 PolarHBondContact O-N 3.36Å; A425-M428 PolarHBondContact O-N 3.21Å; M428-G434 WeakPolarHBondContact O-CA 3.43Å; M428-G434 PolarHBondContact O-N 3.38Å
429M98.4Very high97.2Very high3 Ų336.2 Ų36.22%0.01520%0.195CC..Hα-helixtrans-88.6-2.8-179-64.9-61.3104.200114.3V220 F352 L382 A425 A426 A427 G434 L437 I438 I552V220-M429 HydrophobicContact CG1-CB 4.4Å; F352-M429 HydrophobicContact CD1-CB 3.95Å; F352-M429 WeakPolarHBondContact CD1-O 3.48Å; F352-M429 HydrophobicContact CD2-CB 3.89Å; F352-M429 HydrophobicContact CD2-CG 3.89Å; F352-M429 HydrophobicContact CD2-SD 3.79Å; F352-M429 HydrophobicContact CE1-CB 3.61Å; F352-M429 HydrophobicContact CE2-CB 3.57Å; F352-M429 HydrophobicContact CE2-CG 3.6Å; F352-M429 HydrophobicContact CE2-SD 4.12Å; F352-M429 HydrophobicContact CG-CB 4.1Å; F352-M429 HydrophobicContact CG-SD 4.34Å; F352-M429 HydrophobicContact CZ-CB 3.43Å; F352-M429 VanDerWaalsContact CZ-CB 3.43Å; F352-M429 HydrophobicContact CZ-CG 3.98Å; L382-M429 HydrophobicContact CD1-CG 4.24Å; L382-M429 HydrophobicContact CD2-CG 3.96Å; L382-M429 HydrophobicContact CD2-SD 3.77Å; A425-M429 WeakPolarHBondContact O-CG 3.44Å; A425-M429 PolarHBondContact O-N 3.1Å; A426-M429 PolarHBondContact O-N 3.29Å; A427-M429 PolarHBondContact O-N 2.87Å; M429-G434 WeakPolarHBondContact O-CA 3.24Å; M429-L437 HydrophobicContact CE-CB 4.03Å; M429-L437 HydrophobicContact CE-CD1 3.46Å; M429-L437 VanDerWaalsContact CE-CD1 3.46Å; M429-L437 HydrophobicContact CE-CG 4.4Å; M429-I438 HydrophobicContact SD-CD1 3.81Å; M429-I438 HydrophobicContact SD-CG1 4.02Å; M429-I552 HydrophobicContact CE-CD1 4.03Å
430K97.6Very high97.1Very high110 Ų11036.8 Ų36.848%0.47820%0.201SC..SBendtrans-75.6138.1-178.8-178.2179169.2-167.80111.7Y216 V220 A426 A427Y216-K430 HydrophobicContact CE2-CD 3.95Å; Y216-K430 WeakPolarHBondContact OH-CD 3.38Å; V220-K430 HydrophobicContact CG2-CB 4.19Å; V220-K430 HydrophobicContact CG2-CG 4.34Å; A426-K430 PolarHBondContact O-N 2.78Å; A427-K430 PolarHBondContact O-N 3.34Å
431G93.4Very high97.1Very high40 Ų4036.5 Ų36.541%0.41220%0.199SC..Hα-helixtrans68-151.516800000114.3A433 G434 K435G431-A433 VanDerWaalsContact C-N 3.29Å; G431-A433 PolarHBondContact O-N 3.38Å; G431-G434 PolarHBondContact O-N 3.04Å; G431-K435 PolarHBondContact O-N 2.84Å
432N92.7Very high97.1Very high53 Ų5335.9 Ų35.928%0.28320%0.195SC..Hα-helixtrans-66.5-31.1-178.7-67.2-19.1000112.5E88 G434 K435 R436E88-N432 WeakPolarHBondContact OE1-CB 3.3Å; E88-N432 PolarHBondContact OE1-N 3Å; E88-N432 VanDerWaalsContact OE1-N 3.09Å; E88-N432 PolarHBondContact OE1-ND2 2.85Å; N432-G434 PolarHBondContact O-N 3.48Å; N432-K435 PolarHBondContact O-N 2.93Å; N432-R436 WeakPolarHBondContact O-CB 3.4Å; N432-R436 VanDerWaalsContact O-CG 3.29Å; N432-R436 WeakPolarHBondContact O-CG 3.36Å; N432-R436 PolarHBondContact O-N 2.98Å
433A92.8Very high97Very high42 Ų4242 Ų4235%0.34722%0.223SC..Hα-helixtrans-57.4-49.2176.600000111.9G431 R436 L437G431-A433 VanDerWaalsContact C-N 3.29Å; G431-A433 PolarHBondContact O-N 3.38Å; A433-R436 PolarHBondContact O-N 2.87Å; A433-L437 WeakPolarHBondContact O-CG 3.31Å; A433-L437 PolarHBondContact O-N 3.2Å
434G95.9Very high97Very high0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-61.9-46.6176.700000113.3M428 M429 G431 N432 R436 L437 I438M428-G434 WeakPolarHBondContact O-CA 3.43Å; M428-G434 PolarHBondContact O-N 3.38Å; M429-G434 WeakPolarHBondContact O-CA 3.24Å; G431-G434 PolarHBondContact O-N 3.04Å; N432-G434 PolarHBondContact O-N 3.48Å; G434-R436 VanDerWaalsContact C-N 3.3Å; G434-R436 PolarHBondContact O-N 2.9Å; G434-L437 PolarHBondContact O-N 2.92Å; G434-I438 PolarHBondContact O-N 2.82Å
435K96.1Very high97Very high115 Ų11543 Ų4350%0.522%0.222SC..Hα-helixtrans-56.4-44.6175.6-69.2-179.4179.1179.90111.7G431 N432 I438 N439G431-K435 PolarHBondContact O-N 2.84Å; N432-K435 PolarHBondContact O-N 2.93Å; K435-I438 PolarHBondContact O-N 2.94Å; K435-N439 VanDerWaalsContact O-CB 3.24Å; K435-N439 WeakPolarHBondContact O-CB 3.42Å; K435-N439 PolarHBondContact O-N 2.83Å; K435-N439 PolarHBondContact O-ND2 3.44Å
436R95.2Very high97Very high103 Ų10343.3 Ų43.339%0.38922%0.223SC..Hα-helixtrans-64.7-42177.6-74178.162.677.15.7112.6K85 N432 A433 G434 G440K85-R436 WeakPolarHBondContact O-CD 3.45Å; N432-R436 WeakPolarHBondContact O-CB 3.4Å; N432-R436 VanDerWaalsContact O-CG 3.29Å; N432-R436 WeakPolarHBondContact O-CG 3.36Å; N432-R436 PolarHBondContact O-N 2.98Å; A433-R436 PolarHBondContact O-N 2.87Å; G434-R436 VanDerWaalsContact C-N 3.3Å; G434-R436 PolarHBondContact O-N 2.9Å; R436-G440 PolarHBondContact O-N 3.49Å
437L96.3Very high97Very high67 Ų6748.2 Ų48.235%0.35125%0.245SC..Hα-helixtrans-60.6-46.1177.6-75.3172.6000111.6M429 A433 G434 S441 I552M429-L437 HydrophobicContact CE-CB 4.03Å; M429-L437 HydrophobicContact CE-CD1 3.46Å; M429-L437 VanDerWaalsContact CE-CD1 3.46Å; M429-L437 HydrophobicContact CE-CG 4.4Å; A433-L437 WeakPolarHBondContact O-CG 3.31Å; A433-L437 PolarHBondContact O-N 3.2Å; G434-L437 PolarHBondContact O-N 2.92Å; L437-S441 PolarHBondContact O-N 2.64Å; L437-I552 HydrophobicContact CB-CG2 4.24Å
438I98.4Very high97Very high4 Ų447.3 Ų47.32%0.02124%0.237CC..Hα-helixtrans-71.6-44.7179.4-60-45.6000111.6F352 Y356 M429 G434 K435 G440 S441 I442 I552F352-I438 HydrophobicContact CB-CB 4.44Å; F352-I438 HydrophobicContact CB-CG1 3.78Å; F352-I438 HydrophobicContact CD2-CG1 4.35Å; Y356-I438 HydrophobicContact CE2-CG2 4.43Å; M429-I438 HydrophobicContact SD-CD1 3.81Å; M429-I438 HydrophobicContact SD-CG1 4.02Å; G434-I438 PolarHBondContact O-N 2.82Å; K435-I438 PolarHBondContact O-N 2.94Å; I438-G440 VanDerWaalsContact C-N 3.32Å; I438-G440 PolarHBondContact O-N 3.45Å; I438-S441 WeakPolarHBondContact O-CB 3.41Å; I438-S441 PolarHBondContact O-N 2.67Å; I438-S441 VanDerWaalsContact O-N 3.11Å; I438-I442 HydrophobicContact CG2-CD1 3.83Å; I438-I442 HydrophobicContact CG2-CG1 4.46Å; I438-I442 WeakPolarHBondContact O-CG1 3.11Å; I438-I442 PolarHBondContact O-N 3.08Å; I438-I552 HydrophobicContact CD1-CG2 3.66Å
439N97.4Very high97Very high61 Ų6143.8 Ų43.833%0.32622%0.22SC..Hα-helixtrans-59-43175.6-72.5-11.8000111.7S353 K435 S441 I442 E443S353-N439 PolarHBondContact OG-OD1 3.42Å; K435-N439 VanDerWaalsContact O-CB 3.24Å; K435-N439 WeakPolarHBondContact O-CB 3.42Å; K435-N439 PolarHBondContact O-N 2.83Å; K435-N439 PolarHBondContact O-ND2 3.44Å; N439-S441 VanDerWaalsContact C-N 3.29Å; N439-S441 PolarHBondContact O-N 2.57Å; N439-I442 PolarHBondContact O-N 2.92Å; N439-E443 WeakPolarHBondContact O-CB 3.45Å; N439-E443 VanDerWaalsContact O-CG 3.26Å; N439-E443 WeakPolarHBondContact O-CG 3.47Å; N439-E443 PolarHBondContact O-N 2.85Å
440G96.5Very high97Very high12 Ų1248.2 Ų48.212%0.12424%0.239CC..Hα-helixtrans-62.9-35.4176.400000113R436 I438 R444R436-G440 PolarHBondContact O-N 3.49Å; I438-G440 VanDerWaalsContact C-N 3.32Å; I438-G440 PolarHBondContact O-N 3.45Å; G440-R444 WeakPolarHBondContact O-CB 3.5Å; G440-R444 VanDerWaalsContact O-CG 3.29Å; G440-R444 WeakPolarHBondContact O-CG 3.43Å; G440-R444 VanDerWaalsContact O-CZ 3.24Å; G440-R444 PolarHBondContact O-N 3Å; G440-R444 VanDerWaalsContact O-N 3.09Å; G440-R444 PolarHBondContact O-NH1 3.17Å
441S98.2Very high97.1Very high2 Ų244.3 Ų44.31%0.01422%0.222CC..Hα-helixtrans-65.7-45.8173.2152.80000111.4L437 I438 N439 R444 A445 I502 F550L437-S441 PolarHBondContact O-N 2.64Å; I438-S441 WeakPolarHBondContact O-CB 3.41Å; I438-S441 PolarHBondContact O-N 2.67Å; I438-S441 VanDerWaalsContact O-N 3.11Å; N439-S441 VanDerWaalsContact C-N 3.29Å; N439-S441 PolarHBondContact O-N 2.57Å; S441-R444 PolarHBondContact O-N 2.89Å; S441-A445 WeakPolarHBondContact O-CB 3.3Å; S441-A445 PolarHBondContact O-N 2.92Å; S441-I502 WeakPolarHBondContact OG-CG2 3.43Å; S441-F550 PolarHBondContact OG-O 3.33Å
442I98.7Very high97.3Very high2 Ų242.4 Ų42.41%0.0120%0.203CC..Hα-helixtrans-60.1-48.5175.7-67.2161.1000111.1I355 Y356 I438 N439 R444 A445 I446 T475 P501 I502I355-I442 HydrophobicContact CD1-CD1 3.66Å; I355-I442 HydrophobicContact CD1-CG1 4.3Å; I355-I442 HydrophobicContact CD1-CG2 4.47Å; I355-I442 HydrophobicContact CG1-CD1 4.33Å; Y356-I442 HydrophobicContact CE2-CD1 4.21Å; I438-I442 HydrophobicContact CG2-CD1 3.83Å; I438-I442 HydrophobicContact CG2-CG1 4.46Å; I438-I442 WeakPolarHBondContact O-CG1 3.11Å; I438-I442 PolarHBondContact O-N 3.08Å; N439-I442 PolarHBondContact O-N 2.92Å; I442-R444 VanDerWaalsContact C-N 3.34Å; I442-R444 PolarHBondContact O-N 3.5Å; I442-A445 PolarHBondContact O-N 3.49Å; I442-I446 HydrophobicContact CG2-CD1 3.75Å; I442-I446 HydrophobicContact CG2-CG1 4.39Å; I442-I446 WeakPolarHBondContact O-CG1 3.37Å; I442-I446 PolarHBondContact O-N 3.33Å; I442-T475 HydrophobicContact CG2-CG2 3.6Å; I442-P501 HydrophobicContact CG2-CB 4.15Å; I442-P501 HydrophobicContact CG2-CG 4.43Å; I442-I502 HydrophobicContact CB-CG2 4.5Å; I442-I502 HydrophobicContact CG1-CG2 3.85Å
443E98.1Very high97.6Very high128 Ų12842.4 Ų42.460%0.59820%0.2SC*.Hα-helixtrans-58-44.8178.3-75167.7-173.900111.7N439 I446 K447N439-E443 WeakPolarHBondContact O-CB 3.45Å; N439-E443 VanDerWaalsContact O-CG 3.26Å; N439-E443 WeakPolarHBondContact O-CG 3.47Å; N439-E443 PolarHBondContact O-N 2.85Å; E443-I446 PolarHBondContact O-N 2.77Å; E443-K447 WeakPolarHBondContact O-CB 3.17Å; E443-K447 PolarHBondContact O-N 3.2Å
444R98.2Very high97.9Very high65 Ų6545.6 Ų45.625%0.24520%0.203CC..Hα-helixtrans-65.2-40.7177-74.5-172.3-59-85.38.4112.1G440 S441 I442 K447 F448 I554G440-R444 WeakPolarHBondContact O-CB 3.5Å; G440-R444 VanDerWaalsContact O-CG 3.29Å; G440-R444 WeakPolarHBondContact O-CG 3.43Å; G440-R444 VanDerWaalsContact O-CZ 3.24Å; G440-R444 PolarHBondContact O-N 3Å; G440-R444 VanDerWaalsContact O-N 3.09Å; G440-R444 PolarHBondContact O-NH1 3.17Å; S441-R444 PolarHBondContact O-N 2.89Å; I442-R444 VanDerWaalsContact C-N 3.34Å; I442-R444 PolarHBondContact O-N 3.5Å; R444-K447 PolarHBondContact O-N 2.9Å; R444-F448 WeakPolarHBondContact O-CB 3.42Å; R444-F448 PolarHBondContact O-N 3.47Å; R444-I554 VanDerWaalsContact CZ-O 3.22Å; R444-I554 PolarHBondContact NE-O 3.36Å; R444-I554 PolarHBondContact NH2-O 3.12Å
445A98.7Very high98Very high0 Ų046.8 Ų46.80%021%0.209CC..Hα-helixtrans-63.8-48176.700000111.5S441 I442 K447 F448 R449 P501 I502 V504 F550S441-A445 WeakPolarHBondContact O-CB 3.3Å; S441-A445 PolarHBondContact O-N 2.92Å; I442-A445 PolarHBondContact O-N 3.49Å; A445-K447 VanDerWaalsContact C-N 3.34Å; A445-K447 PolarHBondContact O-N 2.8Å; A445-F448 PolarHBondContact O-N 3.04Å; A445-R449 VanDerWaalsContact O-CG 3.27Å; A445-R449 WeakPolarHBondContact O-CG 3.2Å; A445-R449 PolarHBondContact O-N 3.37Å; A445-P501 WeakPolarHBondContact CB-O 3.35Å; A445-I502 HydrophobicContact CB-CB 4.39Å; A445-I502 HydrophobicContact CB-CG2 4.25Å; A445-V504 HydrophobicContact CB-CG2 4.33Å; A445-F550 HydrophobicContact CB-CB 3.72Å; A445-F550 HydrophobicContact CB-CD1 4.09Å; A445-F550 HydrophobicContact CB-CD2 4.45Å; A445-F550 HydrophobicContact CB-CG 3.83Å
446I98.7Very high98.1Very high8 Ų846.2 Ų46.24%0.04120%0.204CC..Hα-helixtrans-62.5-41.6176.6-68.1175.4000110.9I442 E443 R449 K450 T475 W478 P501I442-I446 HydrophobicContact CG2-CD1 3.75Å; I442-I446 HydrophobicContact CG2-CG1 4.39Å; I442-I446 WeakPolarHBondContact O-CG1 3.37Å; I442-I446 PolarHBondContact O-N 3.33Å; E443-I446 PolarHBondContact O-N 2.77Å; I446-R449 WeakPolarHBondContact O-CB 3.37Å; I446-R449 PolarHBondContact O-N 3.09Å; I446-K450 HydrophobicContact CG2-CD 4.1Å; I446-K450 WeakPolarHBondContact O-CG 3.34Å; I446-K450 PolarHBondContact O-N 3.34Å; I446-T475 HydrophobicContact CD1-CG2 3.77Å; I446-W478 HydrophobicContact CD1-CZ2 4.17Å; I446-W478 HydrophobicContact CG1-CH2 4Å; I446-W478 HydrophobicContact CG1-CZ2 4.05Å; I446-P501 HydrophobicContact CD1-CB 4.38Å; I446-P501 HydrophobicContact CG1-CB 4.13Å
447K98.5Very high98.2Very high104 Ų10447.1 Ų47.145%0.45222%0.221SC..Hα-helixtrans-58.2-49.6174.9179.8179.1176.5-70.90111.1E443 R444 A445 R449 K450 E451E443-K447 WeakPolarHBondContact O-CB 3.17Å; E443-K447 PolarHBondContact O-N 3.2Å; R444-K447 PolarHBondContact O-N 2.9Å; A445-K447 VanDerWaalsContact C-N 3.34Å; A445-K447 PolarHBondContact O-N 2.8Å; K447-R449 PolarHBondContact O-N 2.96Å; K447-K450 PolarHBondContact O-N 2.86Å; K447-E451 IonicContact NZ-OE1 2.69Å; K447-E451 PolarHBondContact NZ-OE1 3.07Å; K447-E451 IonicContact NZ-OE2 2.66Å; K447-E451 PolarHBondContact NZ-OE2 2.77Å; K447-E451 WeakPolarHBondContact O-CG 3.39Å; K447-E451 PolarHBondContact O-N 3.08Å
448F98.8Very high98.3Very high1 Ų150 Ų500%0.00423%0.233CC..Hα-helixtrans-61.1-43.5178.4-179.8-92.7000112R444 A445 K450 E451 I452 V504 L506 F550 L562 L563 L566R444-F448 WeakPolarHBondContact O-CB 3.42Å; R444-F448 PolarHBondContact O-N 3.47Å; A445-F448 PolarHBondContact O-N 3.04Å; F448-K450 VanDerWaalsContact C-N 3.34Å; F448-K450 PolarHBondContact O-N 3.33Å; F448-E451 WeakPolarHBondContact O-CB 3.15Å; F448-E451 PolarHBondContact O-N 3.33Å; F448-E451 VanDerWaalsContact O-N 3.14Å; F448-I452 HydrophobicContact CD1-CG1 4.16Å; F448-I452 HydrophobicContact CE1-CD1 4.19Å; F448-I452 HydrophobicContact CE1-CG1 3.75Å; F448-I452 HydrophobicContact CE2-CD1 4.46Å; F448-I452 HydrophobicContact CZ-CD1 3.92Å; F448-I452 HydrophobicContact CZ-CG1 3.97Å; F448-I452 WeakPolarHBondContact O-CG1 3.5Å; F448-I452 PolarHBondContact O-N 2.99Å; F448-V504 HydrophobicContact CD1-CG1 3.99Å; F448-V504 HydrophobicContact CE1-CG1 3.99Å; F448-L506 HydrophobicContact CE1-CD2 4.2Å; F448-F550 HydrophobicContact CB-CE1 3.72Å; F448-F550 HydrophobicContact CB-CZ 3.64Å; F448-F550 HydrophobicContact CD1-CE1 4.44Å; F448-F550 AromaticContact CD1-CE2 3.96Å; F448-F550 HydrophobicContact CD1-CE2 3.96Å; F448-F550 AromaticContact CD1-CZ 3.51Å; F448-F550 HydrophobicContact CD1-CZ 3.51Å; F448-F550 HydrophobicContact CD2-CE1 4.37Å; F448-F550 AromaticContact CD2-CZ 3.83Å; F448-F550 HydrophobicContact CD2-CZ 3.83Å; F448-F550 HydrophobicContact CE1-CE2 4.32Å; F448-F550 HydrophobicContact CE1-CZ 4.05Å; F448-F550 HydrophobicContact CE2-CZ 4.34Å; F448-F550 AromaticContact CG-CE1 3.95Å; F448-F550 HydrophobicContact CG-CE1 3.95Å; F448-F550 HydrophobicContact CG-CE2 4.27Å; F448-F550 AromaticContact CG-CZ 3.37Å; F448-F550 HydrophobicContact CG-CZ 3.37Å; F448-F550 HydrophobicContact CZ-CZ 4.44Å; F448-L562 HydrophobicContact CE1-CD2 4.35Å; F448-L562 HydrophobicContact CE2-CB 4.33Å; F448-L562 HydrophobicContact CE2-CD2 3.91Å; F448-L562 HydrophobicContact CE2-CG 3.96Å; F448-L562 HydrophobicContact CZ-CD2 3.6Å; F448-L562 HydrophobicContact CZ-CG 3.86Å; F448-L563 HydrophobicContact CD2-CB 4.49Å; F448-L563 HydrophobicContact CD2-CD1 4.44Å; F448-L563 HydrophobicContact CE2-CB 4.05Å; F448-L563 HydrophobicContact CE2-CD1 4.06Å; F448-L566 HydrophobicContact CZ-CD1 3.97Å
449R98.8Very high98.3Very high0 Ų051.4 Ų51.40%024%0.243CC..Hα-helixtrans-55.7-46.8174.1-72.6173.8178.9-80.93.1112.3A445 I446 K447 I452 K453 V466 Q468 I472 D500 P501 K503 V504A445-R449 VanDerWaalsContact O-CG 3.27Å; A445-R449 WeakPolarHBondContact O-CG 3.2Å; A445-R449 PolarHBondContact O-N 3.37Å; I446-R449 WeakPolarHBondContact O-CB 3.37Å; I446-R449 PolarHBondContact O-N 3.09Å; K447-R449 PolarHBondContact O-N 2.96Å; R449-I452 PolarHBondContact O-N 3.48Å; R449-K453 PolarHBondContact O-N 3.46Å; R449-K453 VanDerWaalsContact O-N 3.11Å; R449-V466 HydrophobicContact CG-CG1 4.21Å; R449-Q468 VanDerWaalsContact CB-OE1 3.3Å; R449-Q468 VanDerWaalsContact CD-OE1 3.3Å; R449-I472 HydrophobicContact CB-CD1 3.61Å; R449-D500 PolarHBondContact NH2-O 2.96Å; R449-P501 PolarHBondContact NE-O 2.89Å; R449-P501 PolarHBondContact NH2-O 3.25Å; R449-K503 PolarHBondContact NH2-O 3.47Å; R449-V504 HydrophobicContact CG-CG1 4.28Å; R449-V504 HydrophobicContact CG-CG2 4.14Å
450K98.7Very high98.2Very high95 Ų9554.6 Ų54.641%0.41326%0.26SS..Hα-helixtrans-64.8-37.9176.4-71.2176.5178.51760111.8I446 K447 F448 K453 R454 I472I446-K450 HydrophobicContact CG2-CD 4.1Å; I446-K450 WeakPolarHBondContact O-CG 3.34Å; I446-K450 PolarHBondContact O-N 3.34Å; K447-K450 PolarHBondContact O-N 2.86Å; F448-K450 VanDerWaalsContact C-N 3.34Å; F448-K450 PolarHBondContact O-N 3.33Å; K450-K453 PolarHBondContact O-N 3.14Å; K450-R454 WeakPolarHBondContact O-CB 3.31Å; K450-R454 PolarHBondContact O-N 3.49Å; K450-I472 WeakPolarHBondContact CE-O 3.41Å; K450-I472 HydrophobicContact CG-CD1 3.86Å; K450-I472 HydrophobicContact CG-CG1 4.32Å; K450-I472 PolarHBondContact NZ-O 3.13Å
451E98.6Very high98.2Very high29 Ų2957.5 Ų57.514%0.13629%0.291CS..Hα-helixtrans-64.4-41.8176-75.9175.8138.200112.6K447 F448 R454 L455 L563K447-E451 IonicContact NZ-OE1 2.69Å; K447-E451 PolarHBondContact NZ-OE1 3.07Å; K447-E451 IonicContact NZ-OE2 2.66Å; K447-E451 PolarHBondContact NZ-OE2 2.77Å; K447-E451 WeakPolarHBondContact O-CG 3.39Å; K447-E451 PolarHBondContact O-N 3.08Å; F448-E451 WeakPolarHBondContact O-CB 3.15Å; F448-E451 PolarHBondContact O-N 3.33Å; F448-E451 VanDerWaalsContact O-N 3.14Å; E451-R454 PolarHBondContact O-N 2.99Å; E451-L455 WeakPolarHBondContact O-CB 3.41Å; E451-L455 WeakPolarHBondContact O-CG 3.45Å; E451-L455 PolarHBondContact O-N 3.01Å; E451-L563 HydrophobicContact CB-CD1 4.23Å; E451-L563 HydrophobicContact CB-CD2 3.98Å; E451-L563 HydrophobicContact CG-CD2 4.36Å
452I98.7Very high98.2Very high0 Ų059.2 Ų59.20%030%0.297CS..Hα-helixtrans-63.8-45.7174.6-63.4-70.1000110.8F448 R449 R454 L455 R456 F463 V466 L506 L563 L566F448-I452 HydrophobicContact CD1-CG1 4.16Å; F448-I452 HydrophobicContact CE1-CD1 4.19Å; F448-I452 HydrophobicContact CE1-CG1 3.75Å; F448-I452 HydrophobicContact CE2-CD1 4.46Å; F448-I452 HydrophobicContact CZ-CD1 3.92Å; F448-I452 HydrophobicContact CZ-CG1 3.97Å; F448-I452 WeakPolarHBondContact O-CG1 3.5Å; F448-I452 PolarHBondContact O-N 2.99Å; R449-I452 PolarHBondContact O-N 3.48Å; I452-R454 VanDerWaalsContact C-N 3.33Å; I452-R454 PolarHBondContact O-N 3.26Å; I452-L455 PolarHBondContact O-N 3.3Å; I452-R456 WeakPolarHBondContact O-CB 3.3Å; I452-R456 PolarHBondContact O-N 3.25Å; I452-F463 HydrophobicContact CD1-CE1 4.36Å; I452-F463 HydrophobicContact CG2-CE1 4.37Å; I452-V466 HydrophobicContact CB-CG2 3.63Å; I452-V466 HydrophobicContact CG1-CG2 4.33Å; I452-V466 HydrophobicContact CG2-CG2 3.44Å; I452-V466 VanDerWaalsContact CG2-CG2 3.44Å; I452-L506 HydrophobicContact CD1-CD2 4.42Å; I452-L506 HydrophobicContact CG1-CD2 4.1Å; I452-L506 HydrophobicContact CG2-CD2 4.23Å; I452-L563 HydrophobicContact CD1-CD1 3.61Å; I452-L563 HydrophobicContact CG1-CD1 4.29Å; I452-L566 HydrophobicContact CD1-CD1 3.83Å
453K98.5Very high98.2Very high53 Ų5359.4 Ų59.423%0.2330%0.297CS..Hα-helixtrans-61.8-39.3176.7-72.8-68.4-171.9-179.40112.4R449 K450 T457 D465R449-K453 PolarHBondContact O-N 3.46Å; R449-K453 VanDerWaalsContact O-N 3.11Å; K450-K453 PolarHBondContact O-N 3.14Å; K453-T457 PolarHBondContact O-N 3.36Å; K453-T457 PolarHBondContact O-OG1 3.32Å; K453-D465 VanDerWaalsContact CE-OD1 3.3Å; K453-D465 WeakPolarHBondContact CE-OD1 3.21Å; K453-D465 IonicContact NZ-OD1 3.33Å; K453-D465 PolarHBondContact NZ-OD1 2.94Å; K453-D465 IonicContact NZ-OD2 2.88Å
454R98.5Very high98.2Very high108 Ų10853.3 Ų53.341%0.40827%0.269SS..Hα-helixtrans-62.8-52.9174.1-179.4-177.560.578.51111.3K450 E451 I452 R456 T457 E458K450-R454 WeakPolarHBondContact O-CB 3.31Å; K450-R454 PolarHBondContact O-N 3.49Å; E451-R454 PolarHBondContact O-N 2.99Å; I452-R454 VanDerWaalsContact C-N 3.33Å; I452-R454 PolarHBondContact O-N 3.26Å; R454-R456 VanDerWaalsContact C-N 3.26Å; R454-R456 PolarHBondContact O-N 3.22Å; R454-T457 PolarHBondContact O-N 2.79Å; R454-E458 WeakPolarHBondContact CD-OE1 3.44Å; R454-E458 VanDerWaalsContact CG-CD 3.46Å; R454-E458 HydrophobicContact CG-CG 4.29Å; R454-E458 WeakPolarHBondContact CG-OE1 3.49Å; R454-E458 IonicContact CZ-OE2 3.43Å; R454-E458 IonicContact NH1-OE1 2.72Å; R454-E458 IonicContact NH1-OE2 3.01Å; R454-E458 PolarHBondContact NH1-OE2 2.65Å; R454-E458 PolarHBondContact O-N 2.91Å
455L98.5Very high98.2Very high26 Ų2651.7 Ų51.714%0.13627%0.265CS..Hα-helixtrans-61.8-34.3179.7-72.8175.9000112.2E451 I452 T457 E458 S459 F463 L563 T567E451-L455 WeakPolarHBondContact O-CB 3.41Å; E451-L455 WeakPolarHBondContact O-CG 3.45Å; E451-L455 PolarHBondContact O-N 3.01Å; I452-L455 PolarHBondContact O-N 3.3Å; L455-T457 VanDerWaalsContact C-N 3.28Å; L455-T457 PolarHBondContact O-N 3.18Å; L455-E458 PolarHBondContact O-N 3.36Å; L455-S459 WeakPolarHBondContact O-CB 3.41Å; L455-S459 PolarHBondContact O-N 3.03Å; L455-S459 PolarHBondContact O-OG 3.38Å; L455-F463 HydrophobicContact CB-CD1 4.17Å; L455-F463 HydrophobicContact CB-CE1 3.5Å; L455-F463 HydrophobicContact CB-CE2 4.43Å; L455-F463 HydrophobicContact CB-CZ 3.67Å; L455-F463 HydrophobicContact CD1-CE1 4.35Å; L455-F463 HydrophobicContact CD1-CZ 3.96Å; L455-F463 HydrophobicContact CG-CZ 4.45Å; L455-L563 HydrophobicContact CD1-CD1 3.68Å; L455-L563 HydrophobicContact CD1-CD2 4.35Å; L455-L563 HydrophobicContact CD1-CG 4.03Å; L455-T567 HydrophobicContact CD1-CG2 3.93Å
456R98.3Very high98.2Very high102 Ų10251.9 Ų51.939%0.38527%0.266SS..Hα-helixtrans-59-38.6173.5-179.4176.1179.773.20.7112.6I452 R454 F463 F464 D465I452-R456 WeakPolarHBondContact O-CB 3.3Å; I452-R456 PolarHBondContact O-N 3.25Å; R454-R456 VanDerWaalsContact C-N 3.26Å; R454-R456 PolarHBondContact O-N 3.22Å; R456-F463 HydrophobicContact CB-CB 4.31Å; R456-F463 HydrophobicContact CB-CD1 3.97Å; R456-F463 HydrophobicContact CG-CB 4.37Å; R456-F463 PolarHBondContact NH1-O 2.86Å; R456-F464 PolarHBondContact NH1-O 2.94Å; R456-D465 WeakPolarHBondContact CD-OD1 3.23Å; R456-D465 IonicContact CZ-OD2 2.62Å; R456-D465 IonicContact NE-OD1 3.22Å; R456-D465 IonicContact NE-OD2 3.96Å; R456-D465 PolarHBondContact NE-OD2 3.19Å; R456-D465 IonicContact NH2-OD2 2.66Å
457T97.8Very high98.2Very high122 Ų12251.6 Ų51.675%0.74827%0.265SS*.Hα-helixtrans-79.5-36.3178.7-56.70000112.5K453 R454 L455K453-T457 PolarHBondContact O-N 3.36Å; K453-T457 PolarHBondContact O-OG1 3.32Å; R454-T457 PolarHBondContact O-N 2.79Å; L455-T457 VanDerWaalsContact C-N 3.28Å; L455-T457 PolarHBondContact O-N 3.18Å
458E98.3Very high98.2Very high127 Ų12746.8 Ų46.859%0.59324%0.244SC*.Hα-helixtrans-87.2-21.2-175-69.7174-174.600114.2R454 L455R454-E458 WeakPolarHBondContact CD-OE1 3.44Å; R454-E458 VanDerWaalsContact CG-CD 3.46Å; R454-E458 HydrophobicContact CG-CG 4.29Å; R454-E458 WeakPolarHBondContact CG-OE1 3.49Å; R454-E458 IonicContact CZ-OE2 3.43Å; R454-E458 IonicContact NH1-OE1 2.72Å; R454-E458 IonicContact NH1-OE2 3.01Å; R454-E458 PolarHBondContact NH1-OE2 2.65Å; R454-E458 PolarHBondContact O-N 2.91Å; L455-E458 PolarHBondContact O-N 3.36Å
459S97.5Very high98.2Very high35 Ų3547.6 Ų47.625%0.24525%0.249CC..SBendtrans-78.4152.4179.4-57.40000111.7L455L455-S459 WeakPolarHBondContact O-CB 3.41Å; L455-S459 PolarHBondContact O-N 3.03Å; L455-S459 PolarHBondContact O-OG 3.38Å
460D95.6Very high98.1Very high127 Ų12752.9 Ų52.968%0.67928%0.277SS*.SBendtrans-78.7129.9173.159.8-27.1000112.1K570D460-K570 VanDerWaalsContact O-CE 3.29Å; D460-K570 WeakPolarHBondContact O-CE 3.3Å; D460-K570 PolarHBondContact O-NZ 3.2Å
461G96.4Very high98Very high74 Ų7455.6 Ų55.676%0.76329%0.291SS*.SBendtrans69.5-139.2177.300000113.4
462W98.1Very high98Very high38 Ų3854.8 Ų54.814%0.14429%0.288CS..  trans-71.7147.9-175.878.1-87.3000111.7F464 P509 F520 I522 F569 K570 F573 D574W462-F464 HydrophobicContact CH2-CE2 4.4Å; W462-F464 HydrophobicContact CH2-CZ 4.38Å; W462-F464 HydrophobicContact CZ3-CE2 4.29Å; W462-F464 HydrophobicContact CZ3-CZ 4.33Å; W462-P509 HydrophobicContact CB-CG 4.23Å; W462-P509 HydrophobicContact CD2-CG 4.16Å; W462-P509 HydrophobicContact CE3-CG 3.53Å; W462-P509 HydrophobicContact CG-CG 4.47Å; W462-P509 HydrophobicContact CZ3-CG 4.27Å; W462-F520 HydrophobicContact CB-CE1 3.82Å; W462-F520 AromaticContact CD1-CE1 3.98Å; W462-F520 AromaticContact CD1-CZ 3.83Å; W462-F520 HydrophobicContact CD2-CE1 4.24Å; W462-F520 HydrophobicContact CD2-CZ 4.34Å; W462-F520 AromaticContact CG-CE1 3.71Å; W462-F520 HydrophobicContact CG-CE1 3.71Å; W462-F520 AromaticContact CG-CZ 3.97Å; W462-F520 HydrophobicContact CG-CZ 3.97Å; W462-I522 HydrophobicContact CD2-CD1 3.83Å; W462-I522 HydrophobicContact CE3-CD1 3.82Å; W462-I522 HydrophobicContact CH2-CD1 3.38Å; W462-I522 HydrophobicContact CZ2-CD1 3.37Å; W462-I522 HydrophobicContact CZ3-CD1 3.62Å; W462-F569 AromaticContact CH2-CD1 3.87Å; W462-F569 HydrophobicContact CH2-CD1 3.87Å; W462-F569 AromaticContact CH2-CE1 3.75Å; W462-F569 HydrophobicContact CH2-CE1 3.75Å; W462-F569 HydrophobicContact CZ2-CE1 4.34Å; W462-K570 HydrophobicContact CH2-CB 4.03Å; W462-K570 HydrophobicContact CH2-CG 4.38Å; W462-K570 HydrophobicContact CZ2-CB 3.94Å; W462-K570 HydrophobicContact CZ2-CG 3.9Å; W462-K570 WeakPolarHBondContact O-CD 3.41Å; W462-K570 WeakPolarHBondContact O-CE 3.31Å; W462-K570 PolarHBondContact O-NZ 3.01Å; W462-F573 AromaticContact CE2-CD1 3.92Å; W462-F573 HydrophobicContact CZ2-CB 4.17Å; W462-F573 AromaticContact CZ2-CD1 3.68Å; W462-F573 HydrophobicContact CZ2-CD1 3.68Å; W462-F573 HydrophobicContact CZ2-CE1 4.36Å; W462-F573 HydrophobicContact CZ2-CG 4.04Å; W462-F573 AromaticContact NE1-CD1 3.74Å; W462-D574 PolarHBondContact NE1-OD1 2.78Å
463F98.5Very high97.8Very high5 Ų560.9 Ų60.92%0.02232%0.32CS..  trans-146.1168.2167.1-159.8-109.1000109.6I452 L455 R456 T567 K570I452-F463 HydrophobicContact CD1-CE1 4.36Å; I452-F463 HydrophobicContact CG2-CE1 4.37Å; L455-F463 HydrophobicContact CB-CD1 4.17Å; L455-F463 HydrophobicContact CB-CE1 3.5Å; L455-F463 HydrophobicContact CB-CE2 4.43Å; L455-F463 HydrophobicContact CB-CZ 3.67Å; L455-F463 HydrophobicContact CD1-CE1 4.35Å; L455-F463 HydrophobicContact CD1-CZ 3.96Å; L455-F463 HydrophobicContact CG-CZ 4.45Å; R456-F463 HydrophobicContact CB-CB 4.31Å; R456-F463 HydrophobicContact CB-CD1 3.97Å; R456-F463 HydrophobicContact CG-CB 4.37Å; R456-F463 PolarHBondContact NH1-O 2.86Å; F463-T567 HydrophobicContact CE2-CG2 4.32Å; F463-T567 HydrophobicContact CZ-CG2 4.23Å; F463-K570 HydrophobicContact CD2-CD 3.6Å; F463-K570 HydrophobicContact CE2-CD 4.11Å
464F98.7Very high97.8Very high0 Ų061.3 Ų61.30%033%0.328CS..  trans-58.3155.3168-60.3-80.9000111R456 W462 L507 T508 V527 L566 F569R456-F464 PolarHBondContact NH1-O 2.94Å; W462-F464 HydrophobicContact CH2-CE2 4.4Å; W462-F464 HydrophobicContact CH2-CZ 4.38Å; W462-F464 HydrophobicContact CZ3-CE2 4.29Å; W462-F464 HydrophobicContact CZ3-CZ 4.33Å; F464-L507 WeakPolarHBondContact CA-O 3.38Å; F464-T508 HydrophobicContact CD1-CG2 4.05Å; F464-T508 HydrophobicContact CE1-CG2 3.87Å; F464-V527 HydrophobicContact CE1-CG1 3.88Å; F464-V527 HydrophobicContact CE1-CG2 4.03Å; F464-V527 HydrophobicContact CZ-CG1 3.88Å; F464-V527 HydrophobicContact CZ-CG2 4.32Å; F464-L566 HydrophobicContact CD2-CB 4.07Å; F464-L566 HydrophobicContact CD2-CD2 4.16Å; F464-L566 HydrophobicContact CE1-CD2 4.18Å; F464-L566 HydrophobicContact CE2-CB 3.82Å; F464-L566 HydrophobicContact CE2-CD2 3.75Å; F464-L566 HydrophobicContact CE2-CG 4.36Å; F464-L566 HydrophobicContact CZ-CD2 3.75Å; F464-F569 HydrophobicContact CE2-CD1 4.23Å; F464-F569 AromaticContact CZ-CD1 3.67Å; F464-F569 HydrophobicContact CZ-CD1 3.67Å; F464-F569 HydrophobicContact CZ-CE1 4.22Å; F464-F569 HydrophobicContact CZ-CG 4.42Å
465D98.5Very high97.8Very high32 Ų3259.9 Ų59.917%0.17133%0.331CS..EExtended strand (participates in β ladder)trans-121.2171.8166.3-151.9-7.6000110.4K453 R456 L506 L507K453-D465 VanDerWaalsContact CE-OD1 3.3Å; K453-D465 WeakPolarHBondContact CE-OD1 3.21Å; K453-D465 IonicContact NZ-OD1 3.33Å; K453-D465 PolarHBondContact NZ-OD1 2.94Å; K453-D465 IonicContact NZ-OD2 2.88Å; R456-D465 WeakPolarHBondContact CD-OD1 3.23Å; R456-D465 IonicContact CZ-OD2 2.62Å; R456-D465 IonicContact NE-OD1 3.22Å; R456-D465 IonicContact NE-OD2 3.96Å; R456-D465 PolarHBondContact NE-OD2 3.19Å; R456-D465 IonicContact NH2-OD2 2.66Å; D465-L506 CarbonylContact O-C 3.44Å; D465-L506 WeakPolarHBondContact O-CA 3.47Å; D465-L507 HydrophobicContact CB-CB 4.29Å; D465-L507 PolarHBondContact N-O 3.38Å; D465-L507 PolarHBondContact O-N 2.87Å
466V98.6Very high97.8Very high3 Ų362.2 Ų62.22%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-114.3133.2172.7-167.70000109.2R449 I452 Q468 V504 L506R449-V466 HydrophobicContact CG-CG1 4.21Å; I452-V466 HydrophobicContact CB-CG2 3.63Å; I452-V466 HydrophobicContact CG1-CG2 4.33Å; I452-V466 HydrophobicContact CG2-CG2 3.44Å; I452-V466 VanDerWaalsContact CG2-CG2 3.44Å; V466-Q468 HydrophobicContact CB-CG 3.92Å; V466-Q468 HydrophobicContact CG1-CB 4.25Å; V466-Q468 HydrophobicContact CG1-CG 3.92Å; V466-Q468 PolarHBondContact O-N 2.92Å; V466-Q468 VanDerWaalsContact O-N 3.12Å; V466-V504 HydrophobicContact CG1-CG1 4.27Å; V466-L506 HydrophobicContact CG2-CD2 3.96Å
467W98.7Very high97.8Very high3 Ų357.5 Ų57.51%0.01132%0.324CS..SBendtrans-7694.9170.6-170.574.2000109.7I284 L324 W486 H487 F489 L499 T505 L507I284-W467 HydrophobicContact CD1-CD2 4.06Å; I284-W467 HydrophobicContact CD1-CE3 4.45Å; I284-W467 HydrophobicContact CD1-CG 4.3Å; I284-W467 HydrophobicContact CG2-CH2 4.15Å; I284-W467 HydrophobicContact CG2-CZ2 4.4Å; L324-W467 HydrophobicContact CD1-CH2 4.05Å; L324-W467 HydrophobicContact CD2-CH2 3.78Å; L324-W467 HydrophobicContact CD2-CZ3 3.95Å; L324-W467 HydrophobicContact CG-CH2 4.17Å; L324-W467 HydrophobicContact CG-CZ3 4.44Å; W467-W486 HydrophobicContact CD2-CE3 4.25Å; W467-W486 AromaticContact CD2-CZ3 3.65Å; W467-W486 HydrophobicContact CD2-CZ3 3.65Å; W467-W486 AromaticContact CE2-CZ3 3.67Å; W467-W486 AromaticContact CE3-CZ3 3.87Å; W467-W486 HydrophobicContact CE3-CZ3 3.87Å; W467-W486 HydrophobicContact CG-CE3 4.35Å; W467-W486 HydrophobicContact CG-CZ3 4.15Å; W467-W486 HydrophobicContact CH2-CH2 4.46Å; W467-W486 HydrophobicContact CH2-CZ3 4.17Å; W467-W486 AromaticContact CZ2-CZ3 3.94Å; W467-W486 HydrophobicContact CZ2-CZ3 3.94Å; W467-W486 HydrophobicContact CZ3-CH2 4.49Å; W467-W486 HydrophobicContact CZ3-CZ3 4.14Å; W467-W486 PolarHBondContact NE1-O 3.12Å; W467-H487 HydrophobicContact CZ2-CB 3.85Å; W467-H487 WeakPolarHBondContact CZ2-O 3.35Å; W467-H487 PolarHBondContact NE1-O 2.61Å; W467-F489 AromaticContact CH2-CE2 3.83Å; W467-F489 HydrophobicContact CH2-CE2 3.83Å; W467-F489 HydrophobicContact CH2-CZ 4.11Å; W467-F489 AromaticContact CZ2-CE2 3.64Å; W467-F489 HydrophobicContact CZ2-CE2 3.64Å; W467-F489 AromaticContact CZ2-CZ 3.94Å; W467-F489 HydrophobicContact CZ2-CZ 3.94Å; W467-L499 HydrophobicContact CE3-CD1 4.23Å; W467-L499 HydrophobicContact CZ3-CD1 3.85Å; W467-T505 HydrophobicContact CB-CG2 4.08Å; W467-T505 PolarHBondContact N-O 3.11Å; W467-L507 HydrophobicContact CB-CD1 4.05Å; W467-L507 HydrophobicContact CB-CD2 4.06Å; W467-L507 HydrophobicContact CB-CG 4.03Å
468Q98.6Very high97.8Very high3 Ų351.9 Ų51.91%0.01429%0.289CS..SBendtrans-165.1169.6-175.563.9176.144.700110.6R449 V466 I472 W486 L499R449-Q468 VanDerWaalsContact CB-OE1 3.3Å; R449-Q468 VanDerWaalsContact CD-OE1 3.3Å; V466-Q468 HydrophobicContact CB-CG 3.92Å; V466-Q468 HydrophobicContact CG1-CB 4.25Å; V466-Q468 HydrophobicContact CG1-CG 3.92Å; V466-Q468 PolarHBondContact O-N 2.92Å; V466-Q468 VanDerWaalsContact O-N 3.12Å; Q468-I472 HydrophobicContact CB-CG2 4.42Å; Q468-I472 HydrophobicContact CG-CG2 4.44Å; Q468-I472 VanDerWaalsContact NE2-CD1 3.31Å; Q468-W486 VanDerWaalsContact CA-CE3 3.43Å; Q468-W486 VanDerWaalsContact CA-CZ3 3.46Å; Q468-W486 VanDerWaalsContact N-CE3 3.34Å; Q468-W486 WeakPolarHBondContact O-CB 3.35Å; Q468-L499 HydrophobicContact CB-CD2 4.1Å
469P98.4Very high97.9Very high18 Ų1847.9 Ų47.912%0.11727%0.274CS..  trans-56.5155.9169.8-22.632.5000113.3H471 I472 W478 W486P469-H471 PolarHBondContact O-N 3.29Å; P469-I472 HydrophobicContact CB-CG2 4.45Å; P469-W478 HydrophobicContact CG-CB 3.65Å; P469-W478 HydrophobicContact CG-CG 4.03Å; P469-W486 HydrophobicContact CG-CZ2 3.8Å
470D96.6Very high97.9Very high110 Ų11046.2 Ų46.259%0.58826%0.262SS*.SBendtrans-60.6-31.8177.7-66.6-42.9000112
471H96.8Very high98Very high153 Ų15344.9 Ų44.971%0.70825%0.248SC*.  trans-123.1127176.6-56.3-62.1000111P469P469-H471 PolarHBondContact O-N 3.29Å
472I98Very high98.1Very high11 Ų1144.7 Ų44.76%0.05624%0.235CC..  trans-129.940.4178.858.1155.2000110.5R449 K450 Q468 P469 T474 W478R449-I472 HydrophobicContact CB-CD1 3.61Å; K450-I472 WeakPolarHBondContact CE-O 3.41Å; K450-I472 HydrophobicContact CG-CD1 3.86Å; K450-I472 HydrophobicContact CG-CG1 4.32Å; K450-I472 PolarHBondContact NZ-O 3.13Å; Q468-I472 HydrophobicContact CB-CG2 4.42Å; Q468-I472 HydrophobicContact CG-CG2 4.44Å; Q468-I472 VanDerWaalsContact NE2-CD1 3.31Å; P469-I472 HydrophobicContact CB-CG2 4.45Å; I472-T474 VanDerWaalsContact C-N 3.33Å; I472-W478 HydrophobicContact CB-CH2 4.37Å; I472-W478 HydrophobicContact CB-CZ2 3.64Å; I472-W478 HydrophobicContact CG2-CD2 3.98Å; I472-W478 HydrophobicContact CG2-CE3 4.42Å; I472-W478 HydrophobicContact CG2-CH2 4.19Å; I472-W478 HydrophobicContact CG2-CZ2 3.74Å; I472-W478 HydrophobicContact CG2-CZ3 4.5Å
473D95.5Very high98Very high128 Ų12847.7 Ų47.768%0.68425%0.254SS*.  trans-70.2-29.9-179.752.9-6.5000112.5
474T97.4Very high97.9Very high63 Ų6349.3 Ų49.339%0.38727%0.265SS..SBendtrans-91.8147.1173.1-177.50000113.6I472 E476 W478I472-T474 VanDerWaalsContact C-N 3.33Å; T474-E476 HydrophobicContact CG2-CG 3.85Å; T474-E476 WeakPolarHBondContact CG2-OE1 3.31Å; T474-W478 PolarHBondContact O-NE1 3.47Å; T474-W478 VanDerWaalsContact O-NE1 3.09Å
475T98.4Very high97.8Very high78 Ų7854 Ų5448%0.47929%0.294SS..  trans-93.495.1175.4-60.50000109.5I355 I442 I446I355-T475 WeakPolarHBondContact CG2-O 3.33Å; I442-T475 HydrophobicContact CG2-CG2 3.6Å; I446-T475 HydrophobicContact CD1-CG2 3.77Å
476E98.6Very high97.8Very high75 Ų7554.1 Ų54.135%0.3529%0.292SS..SBendtrans-153.1172.8-18067.1-177.6168.100110.4T474 W478 P501T474-E476 HydrophobicContact CG2-CG 3.85Å; T474-E476 WeakPolarHBondContact CG2-OE1 3.31Å; E476-W478 HydrophobicContact CG-CG 4.26Å; E476-W478 PolarHBondContact O-N 2.52Å; E476-P501 WeakPolarHBondContact O-CG 3.31Å
477C98.7Very high97.7Very high3 Ų354.1 Ų54.12%0.0229%0.292CS..  trans-80.2102.7161.3-61.50000108.2L325 Y356 K359 Y498 L499L325-C477 HydrophobicContact CD1-CB 4.28Å; Y356-C477 WeakPolarHBondContact CD1-SG 3.4Å; Y356-C477 WeakPolarHBondContact CE1-SG 3.06Å; K359-C477 HydrophobicContact CD-CB 3.84Å; C477-Y498 WeakPolarHBondContact O-CD1 3.39Å; C477-L499 CarbonylContact C-O 3.55Å; C477-L499 VanDerWaalsContact CA-O 3.24Å; C477-L499 WeakPolarHBondContact CA-O 3.38Å
478W98.8Very high97.7Very high4 Ų455.6 Ų55.62%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-65.5126.8-168.6-53.5-73.5000111.6I446 P469 I472 T474 E476 Y498 L499 P501I446-W478 HydrophobicContact CD1-CZ2 4.17Å; I446-W478 HydrophobicContact CG1-CH2 4Å; I446-W478 HydrophobicContact CG1-CZ2 4.05Å; P469-W478 HydrophobicContact CG-CB 3.65Å; P469-W478 HydrophobicContact CG-CG 4.03Å; I472-W478 HydrophobicContact CB-CH2 4.37Å; I472-W478 HydrophobicContact CB-CZ2 3.64Å; I472-W478 HydrophobicContact CG2-CD2 3.98Å; I472-W478 HydrophobicContact CG2-CE3 4.42Å; I472-W478 HydrophobicContact CG2-CH2 4.19Å; I472-W478 HydrophobicContact CG2-CZ2 3.74Å; I472-W478 HydrophobicContact CG2-CZ3 4.5Å; T474-W478 PolarHBondContact O-NE1 3.47Å; T474-W478 VanDerWaalsContact O-NE1 3.09Å; E476-W478 HydrophobicContact CG-CG 4.26Å; E476-W478 PolarHBondContact O-N 2.52Å; W478-Y498 CarbonylContact O-C 3.53Å; W478-Y498 WeakPolarHBondContact O-CA 3.23Å; W478-L499 HydrophobicContact CE3-CB 4.25Å; W478-L499 HydrophobicContact CE3-CD2 3.95Å; W478-L499 HydrophobicContact CE3-CG 4.12Å; W478-L499 HydrophobicContact CZ3-CD2 4.24Å; W478-L499 HydrophobicContact CZ3-CG 4.45Å; W478-L499 PolarHBondContact N-O 2.69Å; W478-L499 PolarHBondContact O-N 3.5Å; W478-P501 HydrophobicContact CH2-CB 3.86Å; W478-P501 HydrophobicContact CH2-CG 4.02Å; W478-P501 HydrophobicContact CZ2-CG 4.47Å; W478-P501 HydrophobicContact CZ3-CB 4.11Å; W478-P501 HydrophobicContact CZ3-CG 4.1Å
479P98.6Very high97.6Very high43 Ų4356 Ų5628%0.27931%0.31SS..EExtended strand (participates in β ladder)trans-67137-18027.3-33.8000111.2R481 Y498P479-R481 HydrophobicContact CB-CG 4.44Å; P479-Y498 HydrophobicContact CB-CD1 3.92Å; P479-Y498 HydrophobicContact CB-CE1 3.97Å
480L98.6Very high97.4Very high0 Ų062.6 Ų62.60%034%0.337CS..PPolyproline II helixtrans-82.4123.9167.7-76.865000107.8L324 W486 H487 F489 I492 M497 L499L324-L480 HydrophobicContact CD1-CD2 4.31Å; L324-L480 HydrophobicContact CD2-CD1 3.9Å; L324-L480 HydrophobicContact CD2-CD2 3.79Å; L480-W486 HydrophobicContact CD1-CH2 3.92Å; L480-W486 HydrophobicContact CD1-CZ2 3.83Å; L480-W486 HydrophobicContact CG-CH2 3.98Å; L480-W486 HydrophobicContact CG-CZ2 3.72Å; L480-H487 HydrophobicContact CD2-CB 3.89Å; L480-H487 HydrophobicContact CG-CB 4.16Å; L480-F489 HydrophobicContact CD2-CD2 3.75Å; L480-F489 HydrophobicContact CD2-CE2 3.64Å; L480-I492 HydrophobicContact CB-CD1 3.83Å; L480-I492 HydrophobicContact CD2-CD1 3.91Å; L480-M497 HydrophobicContact CB-CB 4.39Å; L480-M497 HydrophobicContact CD2-CB 4.28Å; L480-M497 PolarHBondContact N-O 2.82Å; L480-L499 HydrophobicContact CD1-CB 4.04Å
481R98.3Very high97.4Very high99 Ų9965 Ų6537%0.37435%0.349SS..  trans-120.1140.5-170.6-63.3175.156.178.81.5111P479 D483 S484 H487 N494P479-R481 HydrophobicContact CB-CG 4.44Å; R481-D483 WeakPolarHBondContact CB-OD1 3.37Å; R481-D483 IonicContact CZ-OD1 2.89Å; R481-D483 IonicContact CZ-OD2 3.84Å; R481-D483 IonicContact NE-OD1 2.74Å; R481-D483 PolarHBondContact NE-OD1 3.04Å; R481-D483 VanDerWaalsContact NE-OD1 3.1Å; R481-D483 IonicContact NE-OD2 2.9Å; R481-D483 PolarHBondContact NE-OD2 3.24Å; R481-D483 IonicContact NH2-OD1 3.15Å; R481-D483 IonicContact NH2-OD2 3.47Å; R481-D483 PolarHBondContact NH2-OD2 2.84Å; R481-D483 PolarHBondContact O-N 3.1Å; R481-D483 VanDerWaalsContact O-N 3.1Å; R481-S484 WeakPolarHBondContact O-CB 3.49Å; R481-S484 PolarHBondContact O-N 3.24Å; R481-H487 PolarHBondContact O-NE2 3.41Å; R481-N494 WeakPolarHBondContact CA-OD1 3.34Å
482S97.6Very high97.4Very high70 Ų7058.6 Ų58.649%0.4932%0.32SS..THydrogen-bonded Turntrans-60.7-22.4179.864.90000114.5S484 N494S482-S484 VanDerWaalsContact C-N 3.32Å; S482-N494 PolarHBondContact N-OD1 2.94Å; S482-N494 PolarHBondContact OG-ND2 3.22Å; S482-N494 PolarHBondContact OG-OD1 2.78Å
483D97Very high97.4Very high101 Ų10160.6 Ų60.654%0.5433%0.331SS..THydrogen-bonded Turntrans-83.7-6176.961.56.6000113.7R481R481-D483 WeakPolarHBondContact CB-OD1 3.37Å; R481-D483 IonicContact CZ-OD1 2.89Å; R481-D483 IonicContact CZ-OD2 3.84Å; R481-D483 IonicContact NE-OD1 2.74Å; R481-D483 PolarHBondContact NE-OD1 3.04Å; R481-D483 VanDerWaalsContact NE-OD1 3.1Å; R481-D483 IonicContact NE-OD2 2.9Å; R481-D483 PolarHBondContact NE-OD2 3.24Å; R481-D483 IonicContact NH2-OD1 3.15Å; R481-D483 IonicContact NH2-OD2 3.47Å; R481-D483 PolarHBondContact NH2-OD2 2.84Å; R481-D483 PolarHBondContact O-N 3.1Å; R481-D483 VanDerWaalsContact O-N 3.1Å
484S96.2Very high97.6Very high38 Ų3857 Ų5727%0.26631%0.312SS..  trans-109.8141.3-177.4-61.70000110.6R481 S482 H487R481-S484 WeakPolarHBondContact O-CB 3.49Å; R481-S484 PolarHBondContact O-N 3.24Å; S482-S484 VanDerWaalsContact C-N 3.32Å; S484-H487 PolarHBondContact O-CE1 3.4Å; S484-H487 PolarHBondContact O-NE2 2.99Å
485T96.6Very high97.6Very high99 Ų9959.5 Ų59.561%0.60732%0.319SS*.  trans-107-11.6-175.557.50000114.1H487 G488T485-H487 PolarHBondContact O-N 2.96Å; T485-H487 VanDerWaalsContact O-N 3.1Å; T485-G488 PolarHBondContact O-N 2.78Å
486W97.6Very high97.6Very high35 Ų3555.9 Ų55.913%0.13330%0.297CS..THydrogen-bonded Turntrans-55.7-33.3-174.471.7-97.1000113.7W467 Q468 P469 L480 L499W467-W486 HydrophobicContact CD2-CE3 4.25Å; W467-W486 AromaticContact CD2-CZ3 3.65Å; W467-W486 HydrophobicContact CD2-CZ3 3.65Å; W467-W486 AromaticContact CE2-CZ3 3.67Å; W467-W486 AromaticContact CE3-CZ3 3.87Å; W467-W486 HydrophobicContact CE3-CZ3 3.87Å; W467-W486 HydrophobicContact CG-CE3 4.35Å; W467-W486 HydrophobicContact CG-CZ3 4.15Å; W467-W486 HydrophobicContact CH2-CH2 4.46Å; W467-W486 HydrophobicContact CH2-CZ3 4.17Å; W467-W486 AromaticContact CZ2-CZ3 3.94Å; W467-W486 HydrophobicContact CZ2-CZ3 3.94Å; W467-W486 HydrophobicContact CZ3-CH2 4.49Å; W467-W486 HydrophobicContact CZ3-CZ3 4.14Å; W467-W486 PolarHBondContact NE1-O 3.12Å; Q468-W486 VanDerWaalsContact CA-CE3 3.43Å; Q468-W486 VanDerWaalsContact CA-CZ3 3.46Å; Q468-W486 VanDerWaalsContact N-CE3 3.34Å; Q468-W486 WeakPolarHBondContact O-CB 3.35Å; P469-W486 HydrophobicContact CG-CZ2 3.8Å; L480-W486 HydrophobicContact CD1-CH2 3.92Å; L480-W486 HydrophobicContact CD1-CZ2 3.83Å; L480-W486 HydrophobicContact CG-CH2 3.98Å; L480-W486 HydrophobicContact CG-CZ2 3.72Å; W486-L499 HydrophobicContact CH2-CB 4.21Å; W486-L499 HydrophobicContact CH2-CD2 3.74Å; W486-L499 HydrophobicContact CH2-CG 4.49Å; W486-L499 HydrophobicContact CZ3-CD2 4.09Å
487H97.7Very high97.6Very high2 Ų252.3 Ų52.31%0.00928%0.28CS..THydrogen-bonded Turntrans-79.8-20.4-177.64862.9000113.5N280 W467 L480 R481 S484 T485 F489N280-H487 PolarHBondContact ND2-O 3.02Å; W467-H487 HydrophobicContact CZ2-CB 3.85Å; W467-H487 WeakPolarHBondContact CZ2-O 3.35Å; W467-H487 PolarHBondContact NE1-O 2.61Å; L480-H487 HydrophobicContact CD2-CB 3.89Å; L480-H487 HydrophobicContact CG-CB 4.16Å; R481-H487 PolarHBondContact O-NE2 3.41Å; S484-H487 PolarHBondContact O-CE1 3.4Å; S484-H487 PolarHBondContact O-NE2 2.99Å; T485-H487 PolarHBondContact O-N 2.96Å; T485-H487 VanDerWaalsContact O-N 3.1Å; H487-F489 HydrophobicContact CB-CD2 3.74Å; H487-F489 HydrophobicContact CB-CE2 4.03Å; H487-F489 AromaticContact CG-CD2 3.99Å; H487-F489 AromaticContact ND1-CD2 3.94Å; H487-F489 PolarHBondContact ND1-N 2.96Å; H487-F489 PolarHBondContact O-N 2.95Å
488G97Very high97.6Very high34 Ų3453.9 Ų53.935%0.35129%0.286SS..  trans72.4-0.5178.300000116.2T485T485-G488 PolarHBondContact O-N 2.78Å
489F97.2Very high97.6Very high12 Ų1253.7 Ų53.75%0.05329%0.285CS..  trans-75.4126170.3-54.2-62.6000111.7N280 I284 G286 L324 W467 L480 H487 I492N280-F489 HydrophobicContact CB-CD1 3.96Å; N280-F489 HydrophobicContact CB-CE1 3.87Å; I284-F489 HydrophobicContact CG2-CZ 4.35Å; G286-F489 VanDerWaalsContact N-CE1 3.32Å; L324-F489 HydrophobicContact CD1-CE2 3.73Å; L324-F489 HydrophobicContact CD1-CZ 3.76Å; W467-F489 AromaticContact CH2-CE2 3.83Å; W467-F489 HydrophobicContact CH2-CE2 3.83Å; W467-F489 HydrophobicContact CH2-CZ 4.11Å; W467-F489 AromaticContact CZ2-CE2 3.64Å; W467-F489 HydrophobicContact CZ2-CE2 3.64Å; W467-F489 AromaticContact CZ2-CZ 3.94Å; W467-F489 HydrophobicContact CZ2-CZ 3.94Å; L480-F489 HydrophobicContact CD2-CD2 3.75Å; L480-F489 HydrophobicContact CD2-CE2 3.64Å; H487-F489 HydrophobicContact CB-CD2 3.74Å; H487-F489 HydrophobicContact CB-CE2 4.03Å; H487-F489 AromaticContact CG-CD2 3.99Å; H487-F489 AromaticContact ND1-CD2 3.94Å; H487-F489 PolarHBondContact ND1-N 2.96Å; H487-F489 PolarHBondContact O-N 2.95Å; F489-I492 HydrophobicContact CB-CB 4.27Å; F489-I492 HydrophobicContact CB-CD1 4.16Å; F489-I492 HydrophobicContact CD2-CD1 3.95Å; F489-I492 HydrophobicContact CG-CD1 4.35Å
490K95Very high97.6Very high156 Ų15651.7 Ų51.768%0.67827%0.272SS*.THydrogen-bonded Turntrans-79.8134.6177.2-61.7177.9-178.41750109.8I492K490-I492 VanDerWaalsContact C-N 3.3Å; K490-I492 PolarHBondContact O-N 3.12Å
491N95.6Very high97.7Very high160 Ų16051.7 Ų51.786%0.85627%0.272SS*.THydrogen-bonded Turntrans52.441.2174.3-58.992.7000114.5
492I97.6Very high97.7Very high20 Ų2047.1 Ų47.110%0.10326%0.255CS..PPolyproline II helixtrans-65.4143.3177.6-166.5161000111.7L480 F489 K490 M497L480-I492 HydrophobicContact CB-CD1 3.83Å; L480-I492 HydrophobicContact CD2-CD1 3.91Å; F489-I492 HydrophobicContact CB-CB 4.27Å; F489-I492 HydrophobicContact CB-CD1 4.16Å; F489-I492 HydrophobicContact CD2-CD1 3.95Å; F489-I492 HydrophobicContact CG-CD1 4.35Å; K490-I492 VanDerWaalsContact C-N 3.3Å; K490-I492 PolarHBondContact O-N 3.12Å; I492-M497 HydrophobicContact CD1-CB 4.32Å; I492-M497 HydrophobicContact CD1-CG 4.23Å
493D98.5Very high97.7Very high52 Ų5243.8 Ų43.828%0.27823%0.232SC..PPolyproline II helixtrans-69.7134.8171.8-59.4-49.7000110.5Q290 H496Q290-D493 WeakPolarHBondContact CB-OD2 3.49Å; Q290-D493 HydrophobicContact CG-CB 3.91Å; Q290-D493 WeakPolarHBondContact CG-OD2 3.33Å; Q290-D493 PolarHBondContact N-OD2 2.93Å; D493-H496 HydrophobicContact CB-CB 3.82Å; D493-H496 VanDerWaalsContact O-CB 3.3Å; D493-H496 WeakPolarHBondContact O-CB 3.3Å
494N98.2Very high97.8Very high52 Ų5239 Ų3928%0.27821%0.206SC..THydrogen-bonded Turntrans-74.7159.2173-66.2-51.9000111.1R481 S482 H496R481-N494 WeakPolarHBondContact CA-OD1 3.34Å; S482-N494 PolarHBondContact N-OD1 2.94Å; S482-N494 PolarHBondContact OG-ND2 3.22Å; S482-N494 PolarHBondContact OG-OD1 2.78Å; N494-H496 PolarHBondContact O-N 3.35Å; N494-H496 VanDerWaalsContact O-N 3.08Å
495E98Very high97.9Very high116 Ų11637.2 Ų37.254%0.54219%0.194SC..THydrogen-bonded Turntrans51.832.6-177.4-63.574.5-146.600113.4N327 Y498N327-E495 WeakPolarHBondContact CB-O 3.35Å; N327-E495 PolarHBondContact ND2-O 2.84Å; E495-Y498 PolarHBondContact O-OH 2.81Å
496H98.6Very high98Very high3 Ų332.5 Ų32.51%0.01417%0.165CC..THydrogen-bonded Turntrans-118.3-53.4-172.4-17244.3000113.4I288 Q290 Y326 N327 D493 N494I288-H496 PolarHBondContact O-CE1 2.98Å; I288-H496 PolarHBondContact O-NE2 2.86Å; Q290-H496 HydrophobicContact CG-CB 4.4Å; Q290-H496 WeakPolarHBondContact CG-ND1 3.45Å; Y326-H496 CarbonylContact C-O 3.35Å; N327-H496 PolarHBondContact N-O 2.83Å; D493-H496 HydrophobicContact CB-CB 3.82Å; D493-H496 VanDerWaalsContact O-CB 3.3Å; D493-H496 WeakPolarHBondContact O-CB 3.3Å; N494-H496 PolarHBondContact O-N 3.35Å; N494-H496 VanDerWaalsContact O-N 3.08Å
497M98.8Very high98.1Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-116.7142.8-178-56.9-54.2-63.800111.4L324 L325 Y326 L480 I492L324-M497 HydrophobicContact CB-CE 3.64Å; L325-M497 CarbonylContact O-C 3.41Å; L325-M497 WeakPolarHBondContact O-CA 3.36Å; Y326-M497 HydrophobicContact CD1-CE 3.92Å; Y326-M497 HydrophobicContact CD1-SD 3.43Å; Y326-M497 WeakPolarHBondContact CD1-SD 2.95Å; Y326-M497 HydrophobicContact CD2-CE 4.08Å; Y326-M497 HydrophobicContact CE1-CE 3.94Å; Y326-M497 HydrophobicContact CE1-SD 3.65Å; Y326-M497 HydrophobicContact CE2-CE 4.09Å; Y326-M497 HydrophobicContact CG-CE 4.01Å; Y326-M497 HydrophobicContact CG-SD 3.98Å; L480-M497 HydrophobicContact CB-CB 4.39Å; L480-M497 HydrophobicContact CD2-CB 4.28Å; L480-M497 PolarHBondContact N-O 2.82Å; I492-M497 HydrophobicContact CD1-CB 4.32Å; I492-M497 HydrophobicContact CD1-CG 4.23Å
498Y98.8Very high98.2Very high36 Ų3631.8 Ų31.814%0.14116%0.164CC..EExtended strand (participates in β ladder)trans-132.6137.6179.5-51.2-90.7000110.8L324 L325 N327 K359 C477 W478 P479 E495L324-Y498 WeakPolarHBondContact CA-O 3.5Å; L325-Y498 PolarHBondContact N-O 2.73Å; L325-Y498 PolarHBondContact O-N 3.47Å; N327-Y498 HydrophobicContact CB-CE2 4.04Å; K359-Y498 HydrophobicContact CD-CD1 4.38Å; K359-Y498 HydrophobicContact CD-CD2 3.7Å; K359-Y498 HydrophobicContact CD-CE2 4.3Å; K359-Y498 HydrophobicContact CD-CG 3.75Å; K359-Y498 HydrophobicContact CG-CD2 3.86Å; K359-Y498 HydrophobicContact CG-CE2 4.15Å; K359-Y498 HydrophobicContact CG-CG 4.43Å; C477-Y498 WeakPolarHBondContact O-CD1 3.39Å; W478-Y498 CarbonylContact O-C 3.53Å; W478-Y498 WeakPolarHBondContact O-CA 3.23Å; P479-Y498 HydrophobicContact CB-CD1 3.92Å; P479-Y498 HydrophobicContact CB-CE1 3.97Å; E495-Y498 PolarHBondContact O-OH 2.81Å
499L98.9Very high98.2Very high0 Ų031.4 Ų31.40%016%0.155CC..EExtended strand (participates in β ladder)trans-83.9122.2176.7178.862.9000110.8L324 W467 Q468 C477 W478 L480 W486 P501L324-L499 HydrophobicContact CD2-CB 4.45Å; L324-L499 HydrophobicContact CD2-CD1 4.17Å; W467-L499 HydrophobicContact CE3-CD1 4.23Å; W467-L499 HydrophobicContact CZ3-CD1 3.85Å; Q468-L499 HydrophobicContact CB-CD2 4.1Å; C477-L499 CarbonylContact C-O 3.55Å; C477-L499 VanDerWaalsContact CA-O 3.24Å; C477-L499 WeakPolarHBondContact CA-O 3.38Å; W478-L499 HydrophobicContact CE3-CB 4.25Å; W478-L499 HydrophobicContact CE3-CD2 3.95Å; W478-L499 HydrophobicContact CE3-CG 4.12Å; W478-L499 HydrophobicContact CZ3-CD2 4.24Å; W478-L499 HydrophobicContact CZ3-CG 4.45Å; W478-L499 PolarHBondContact N-O 2.69Å; W478-L499 PolarHBondContact O-N 3.5Å; L480-L499 HydrophobicContact CD1-CB 4.04Å; W486-L499 HydrophobicContact CH2-CB 4.21Å; W486-L499 HydrophobicContact CH2-CD2 3.74Å; W486-L499 HydrophobicContact CH2-CG 4.49Å; W486-L499 HydrophobicContact CZ3-CD2 4.09Å; L499-P501 WeakPolarHBondContact O-CD 3.47Å
500D98.8Very high98.2Very high0 Ų030.9 Ų30.90%015%0.153CC..  trans-70.8122.6173.5-173.2-9.6000111.2G323 L325 Y349 Y356 R449 I502 K503G323-D500 WeakPolarHBondContact O-CB 3.43Å; G323-D500 PolarHBondContact O-N 3.32Å; L325-D500 HydrophobicContact CD1-CB 3.96Å; Y349-D500 PolarHBondContact OH-OD2 3.21Å; Y356-D500 WeakPolarHBondContact CE1-OD1 3.45Å; Y356-D500 PolarHBondContact OH-OD1 2.96Å; R449-D500 PolarHBondContact NH2-O 2.96Å; D500-I502 PolarHBondContact O-N 3.31Å; D500-I502 VanDerWaalsContact O-N 3.13Å; D500-I502 PolarHBondContact OD1-N 3Å; D500-K503 HydrophobicContact CB-CG 4.1Å; D500-K503 PolarHBondContact O-N 2.99Å
501P98.8Very high98.3Very high0 Ų024.1 Ų24.10%012%0.124CC..THydrogen-bonded Turntrans-54.3-35.3-178.3-30.838.2000114.8I355 I442 A445 I446 R449 E476 W478 L499 K503I355-P501 HydrophobicContact CD1-CG 3.99Å; I442-P501 HydrophobicContact CG2-CB 4.15Å; I442-P501 HydrophobicContact CG2-CG 4.43Å; A445-P501 WeakPolarHBondContact CB-O 3.35Å; I446-P501 HydrophobicContact CD1-CB 4.38Å; I446-P501 HydrophobicContact CG1-CB 4.13Å; R449-P501 PolarHBondContact NE-O 2.89Å; R449-P501 PolarHBondContact NH2-O 3.25Å; E476-P501 WeakPolarHBondContact O-CG 3.31Å; W478-P501 HydrophobicContact CH2-CB 3.86Å; W478-P501 HydrophobicContact CH2-CG 4.02Å; W478-P501 HydrophobicContact CZ2-CG 4.47Å; W478-P501 HydrophobicContact CZ3-CB 4.11Å; W478-P501 HydrophobicContact CZ3-CG 4.1Å; L499-P501 WeakPolarHBondContact O-CD 3.47Å; P501-K503 VanDerWaalsContact C-N 3.31Å; P501-K503 PolarHBondContact O-N 3.39Å
502I98.7Very high98.3Very high4 Ų421 Ų212%0.02110%0.104CC..THydrogen-bonded Turntrans-82.2-6.9-171.676.5166.6000114.2Y349 S441 I442 A445 D500 F550Y349-I502 HydrophobicContact CD1-CD1 4.31Å; Y349-I502 HydrophobicContact CE1-CD1 3.64Å; Y349-I502 HydrophobicContact CE2-CD1 3.87Å; Y349-I502 HydrophobicContact CE2-CG1 4.43Å; Y349-I502 WeakPolarHBondContact OH-CD1 3.31Å; S441-I502 WeakPolarHBondContact OG-CG2 3.43Å; I442-I502 HydrophobicContact CB-CG2 4.5Å; I442-I502 HydrophobicContact CG1-CG2 3.85Å; A445-I502 HydrophobicContact CB-CB 4.39Å; A445-I502 HydrophobicContact CB-CG2 4.25Å; D500-I502 PolarHBondContact O-N 3.31Å; D500-I502 VanDerWaalsContact O-N 3.13Å; D500-I502 PolarHBondContact OD1-N 3Å; I502-F550 HydrophobicContact CB-CB 4.18Å; I502-F550 PolarHBondContact O-N 2.95Å
503K98.8Very high97.9Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-98.684.7177.4-57.8-63173.161.60109.3W346 Y349 L381 R449 D500 P501 T505 L547 L549W346-K503 PolarHBondContact O-NZ 3.33Å; Y349-K503 WeakPolarHBondContact OH-CE 3.38Å; Y349-K503 PolarHBondContact OH-NZ 3.15Å; L381-K503 VanDerWaalsContact CD1-CE 3.45Å; R449-K503 PolarHBondContact NH2-O 3.47Å; D500-K503 HydrophobicContact CB-CG 4.1Å; D500-K503 PolarHBondContact O-N 2.99Å; P501-K503 VanDerWaalsContact C-N 3.31Å; P501-K503 PolarHBondContact O-N 3.39Å; K503-T505 PolarHBondContact O-N 2.84Å; K503-L547 HydrophobicContact CB-CD1 4.27Å; K503-L549 HydrophobicContact CD-CD2 3.35Å
504V98.8Very high97.5Very high0 Ų031.2 Ų31.20%015%0.151CC..EExtended strand (participates in β ladder)trans-88.4107.1-171.9-1770000110A445 F448 R449 V466 L506 F548 F550A445-V504 HydrophobicContact CB-CG2 4.33Å; F448-V504 HydrophobicContact CD1-CG1 3.99Å; F448-V504 HydrophobicContact CE1-CG1 3.99Å; R449-V504 HydrophobicContact CG-CG1 4.28Å; R449-V504 HydrophobicContact CG-CG2 4.14Å; V466-V504 HydrophobicContact CG1-CG1 4.27Å; V504-L506 HydrophobicContact CG1-CD2 4.19Å; V504-F548 PolarHBondContact N-O 3.41Å; V504-F548 PolarHBondContact O-N 3.03Å; V504-F550 HydrophobicContact CB-CD2 4.04Å; V504-F550 HydrophobicContact CB-CE2 3.86Å; V504-F550 HydrophobicContact CG1-CE2 4.48Å; V504-F550 HydrophobicContact CG2-CD2 3.46Å; V504-F550 VanDerWaalsContact CG2-CD2 3.46Å; V504-F550 HydrophobicContact CG2-CE2 3.56Å; V504-F550 HydrophobicContact CG2-CG 4.35Å; V504-F550 HydrophobicContact CG2-CZ 4.49Å
505T98.9Very high97.2Very high1 Ų129.9 Ų29.91%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-95.3111173.7-56.30000109.7I284 W467 K503 L507 N545 L546 L547I284-T505 HydrophobicContact CD1-CG2 4.07Å; W467-T505 HydrophobicContact CB-CG2 4.08Å; W467-T505 PolarHBondContact N-O 3.11Å; K503-T505 PolarHBondContact O-N 2.84Å; T505-L507 HydrophobicContact CG2-CD2 4.46Å; T505-N545 HydrophobicContact CG2-CB 3.87Å; T505-L546 CarbonylContact C-O 3.53Å; T505-L546 WeakPolarHBondContact CA-O 3.06Å; T505-L547 WeakPolarHBondContact OG1-CD1 3.45Å
506L98.8Very high97.1Very high0 Ų027.8 Ų27.80%015%0.145CC..EExtended strand (participates in β ladder)trans-83.4145.1169.9-62.8-172.9000110.3F448 I452 D465 V466 V504 N545 L546 F548 L566F448-L506 HydrophobicContact CE1-CD2 4.2Å; I452-L506 HydrophobicContact CD1-CD2 4.42Å; I452-L506 HydrophobicContact CG1-CD2 4.1Å; I452-L506 HydrophobicContact CG2-CD2 4.23Å; D465-L506 CarbonylContact O-C 3.44Å; D465-L506 WeakPolarHBondContact O-CA 3.47Å; V466-L506 HydrophobicContact CG2-CD2 3.96Å; V504-L506 HydrophobicContact CG1-CD2 4.19Å; L506-N545 CarbonylContact O-C 3.59Å; L506-N545 WeakPolarHBondContact O-CA 3.43Å; L506-L546 HydrophobicContact CB-CB 4.46Å; L506-L546 PolarHBondContact N-O 3.11Å; L506-L546 PolarHBondContact O-N 3.46Å; L506-F548 HydrophobicContact CD1-CD2 4.16Å; L506-F548 HydrophobicContact CD1-CE2 3.72Å; L506-F548 HydrophobicContact CG-CD2 4.16Å; L506-F548 HydrophobicContact CG-CE2 4.06Å; L506-L566 HydrophobicContact CD1-CD1 3.48Å; L506-L566 VanDerWaalsContact CD1-CD1 3.48Å; L506-L566 HydrophobicContact CD1-CD2 4.1Å; L506-L566 HydrophobicContact CD1-CG 4.46Å
507L98.8Very high97Very high17 Ų1729.7 Ų29.79%0.08915%0.154CC..EExtended strand (participates in β ladder)trans-110.7133.5174.7-56.7177.4000109.6Y282 F464 D465 W467 T505 Y544 N545Y282-L507 HydrophobicContact CD1-CD2 4.16Å; Y282-L507 HydrophobicContact CD2-CD2 4.46Å; Y282-L507 HydrophobicContact CE1-CD2 3.99Å; Y282-L507 HydrophobicContact CE2-CD1 4.23Å; Y282-L507 HydrophobicContact CE2-CD2 4.32Å; Y282-L507 HydrophobicContact CG-CD2 4.39Å; F464-L507 WeakPolarHBondContact CA-O 3.38Å; D465-L507 HydrophobicContact CB-CB 4.29Å; D465-L507 PolarHBondContact N-O 3.38Å; D465-L507 PolarHBondContact O-N 2.87Å; W467-L507 HydrophobicContact CB-CD1 4.05Å; W467-L507 HydrophobicContact CB-CD2 4.06Å; W467-L507 HydrophobicContact CB-CG 4.03Å; T505-L507 HydrophobicContact CG2-CD2 4.46Å; L507-Y544 WeakPolarHBondContact CA-O 3.39Å; L507-N545 HydrophobicContact CD2-CB 3.91Å
508T98.8Very high97Very high5 Ų530.5 Ų30.53%0.03116%0.16CC..  trans-94.8155170.264.60000109.9F464 I522 A524 V527 Y544 L546F464-T508 HydrophobicContact CD1-CG2 4.05Å; F464-T508 HydrophobicContact CE1-CG2 3.87Å; T508-I522 WeakPolarHBondContact CB-O 3.44Å; T508-I522 PolarHBondContact OG1-O 3.35Å; T508-A524 HydrophobicContact CG2-CB 4.06Å; T508-V527 HydrophobicContact CG2-CG2 3.95Å; T508-Y544 PolarHBondContact N-O 3.1Å; T508-Y544 WeakPolarHBondContact OG1-CA 3.42Å; T508-Y544 PolarHBondContact OG1-O 3.5Å; T508-L546 HydrophobicContact CG2-CD1 4.48Å
509P98.5Very high96.9Very high25 Ų2537.1 Ų37.116%0.16220%0.197CC..SBendtrans-58.1146.7174-22.833.3000111.7W462 F520 G521 I522 Y544W462-P509 HydrophobicContact CB-CG 4.23Å; W462-P509 HydrophobicContact CD2-CG 4.16Å; W462-P509 HydrophobicContact CE3-CG 3.53Å; W462-P509 HydrophobicContact CG-CG 4.47Å; W462-P509 HydrophobicContact CZ3-CG 4.27Å; P509-F520 HydrophobicContact CB-CD1 3.84Å; P509-F520 HydrophobicContact CB-CE1 3.74Å; P509-F520 HydrophobicContact CG-CE1 3.94Å; P509-G521 CarbonylContact O-C 3.55Å; P509-G521 WeakPolarHBondContact O-CA 3.46Å; P509-I522 HydrophobicContact CG-CD1 4.47Å; P509-I522 PolarHBondContact O-N 3.42Å; P509-Y544 WeakPolarHBondContact O-CD1 3.37Å; P509-Y544 WeakPolarHBondContact O-CE1 3.47Å
510G97.8Very high96.8Very high1 Ų141 Ų411%0.0122%0.215CC..SBendtrans143.5-12.8173.500000115.1M517 S518 F520G510-M517 VanDerWaalsContact O-CE 3.25Å; G510-M517 WeakPolarHBondContact O-CE 3.33Å; G510-S518 PolarHBondContact O-N 3Å; G510-S518 VanDerWaalsContact O-N 3.08Å; G510-F520 WeakPolarHBondContact CA-O 3.39Å
511M97.1Very high96.8Very high15 Ų1541.1 Ų41.17%0.07422%0.216CC..BIsolated β-bridgetrans-131.6141.1172.7-60.6-172.871.300110.9A281 Y282 G515 T516 M517 Y544 P616A281-M511 HydrophobicContact CB-CE 3.55Å; A281-M511 WeakPolarHBondContact O-CE 3.44Å; Y282-M511 HydrophobicContact CD1-SD 3.69Å; Y282-M511 HydrophobicContact CE1-CB 3.86Å; Y282-M511 HydrophobicContact CE1-CG 4.2Å; Y282-M511 HydrophobicContact CE1-SD 3.88Å; Y282-M511 HydrophobicContact CG-SD 4.35Å; M511-G515 WeakPolarHBondContact CE-O 3.42Å; M511-T516 CarbonylContact C-O 3.55Å; M511-T516 WeakPolarHBondContact CA-O 3.37Å; M511-M517 HydrophobicContact CG-SD 4.01Å; M511-Y544 HydrophobicContact CG-CD2 3.5Å; M511-Y544 VanDerWaalsContact CG-CD2 3.5Å; M511-Y544 HydrophobicContact CG-CE2 3.92Å; M511-Y544 HydrophobicContact CG-CG 4.15Å; M511-Y544 HydrophobicContact SD-CD2 3.68Å; M511-Y544 HydrophobicContact SD-CE2 4.35Å; M511-P616 HydrophobicContact CE-CB 3.91Å; M511-P616 HydrophobicContact CE-CG 4.09Å; M511-P616 HydrophobicContact SD-CG 4.34Å
512E94.6Very high96.8Very high94 Ų9441.2 Ų41.244%0.43922%0.216SC..  trans-83.5167.6174.8-62.7-56.5147.700111.8D514 G515 T516 S518E512-D514 WeakPolarHBondContact CB-OD1 3.39Å; E512-D514 PolarHBondContact O-N 3.21Å; E512-G515 PolarHBondContact O-N 2.85Å; E512-T516 PolarHBondContact N-O 2.81Å; E512-S518 VanDerWaalsContact OE1-CB 3.31Å; E512-S518 WeakPolarHBondContact OE1-CB 3.33Å; E512-S518 PolarHBondContact OE1-OG 3.3Å
513K89.8Confident96.8Very high168 Ų16841 Ų4173%0.7322%0.216SC*.THydrogen-bonded Turntrans-61.4-27.5-179.1-71.6-170.2177.1-170.30113.9G515K513-G515 VanDerWaalsContact C-N 3.28Å
514D88.6Confident96.8Very high119 Ų11941 Ų4164%0.63622%0.216SC*.THydrogen-bonded Turntrans-83.8-3.2178.464.5-2000113.4E512 T516E512-D514 WeakPolarHBondContact CB-OD1 3.39Å; E512-D514 PolarHBondContact O-N 3.21Å; D514-T516 WeakPolarHBondContact OD1-CB 3.39Å; D514-T516 WeakPolarHBondContact OD1-CG2 3.42Å; D514-T516 PolarHBondContact OD1-N 3.43Å; D514-T516 PolarHBondContact OD1-OG1 3.26Å; D514-T516 PolarHBondContact OD2-OG1 3.36Å
515G92.7Very high96.8Very high23 Ų2342.9 Ų42.924%0.23723%0.228CC..SBendtrans89.53.8-177.800000114.4M511 E512 K513M511-G515 WeakPolarHBondContact CE-O 3.42Å; E512-G515 PolarHBondContact O-N 2.85Å; K513-G515 VanDerWaalsContact C-N 3.28Å
516T95.3Very high96.8Very high73 Ų7342.8 Ų42.845%0.44823%0.228SC..PPolyproline II helixtrans-76.9161.1172.762.60000111.7M511 E512 D514M511-T516 CarbonylContact C-O 3.55Å; M511-T516 WeakPolarHBondContact CA-O 3.37Å; E512-T516 PolarHBondContact N-O 2.81Å; D514-T516 WeakPolarHBondContact OD1-CB 3.39Å; D514-T516 WeakPolarHBondContact OD1-CG2 3.42Å; D514-T516 PolarHBondContact OD1-N 3.43Å; D514-T516 PolarHBondContact OD1-OG1 3.26Å; D514-T516 PolarHBondContact OD2-OG1 3.36Å
517M97.7Very high96.8Very high43 Ų4342.8 Ų42.821%0.21223%0.228CC..BIsolated β-bridgetrans-81.8133179.1-67.6-57.2-6200110.9G510 M511 Y544 I610 V611 P616G510-M517 VanDerWaalsContact O-CE 3.25Å; G510-M517 WeakPolarHBondContact O-CE 3.33Å; M511-M517 HydrophobicContact CG-SD 4.01Å; M517-Y544 HydrophobicContact CE-CE2 3.71Å; M517-Y544 WeakPolarHBondContact CE-OH 3.47Å; M517-Y544 HydrophobicContact SD-CE2 4.36Å; M517-I610 HydrophobicContact CE-CG2 3.89Å; M517-V611 HydrophobicContact CB-CG2 3.98Å; M517-V611 HydrophobicContact CE-CG2 3.54Å; M517-V611 HydrophobicContact CG-CG2 4.1Å; M517-P616 HydrophobicContact SD-CG 3.73Å
518S97.3Very high96.8Very high17 Ų1742.9 Ų42.912%0.11923%0.231CC..PPolyproline II helixtrans-75.4159.5170.2-51.90000110.9G510 E512 F520 H607G510-S518 PolarHBondContact O-N 3Å; G510-S518 VanDerWaalsContact O-N 3.08Å; E512-S518 VanDerWaalsContact OE1-CB 3.31Å; E512-S518 WeakPolarHBondContact OE1-CB 3.33Å; E512-S518 PolarHBondContact OE1-OG 3.3Å; S518-F520 WeakPolarHBondContact CB-O 3.34Å; S518-H607 PolarHBondContact O-CE1 3.06Å; S518-H607 PolarHBondContact O-NE2 2.87Å
519D96.9Very high96.8Very high174 Ų17445 Ų4593%0.9324%0.24SC*.SBendtrans-70.6-32.5171.7-74.2-24.5000112.8
520F98.1Very high96.8Very high82 Ų8244.4 Ų44.436%0.3624%0.235SC..SBendtrans-105.7127176171.6-105.6000109.9W462 P509 G510 S518 I522 F573W462-F520 HydrophobicContact CB-CE1 3.82Å; W462-F520 AromaticContact CD1-CE1 3.98Å; W462-F520 AromaticContact CD1-CZ 3.83Å; W462-F520 HydrophobicContact CD2-CE1 4.24Å; W462-F520 HydrophobicContact CD2-CZ 4.34Å; W462-F520 AromaticContact CG-CE1 3.71Å; W462-F520 HydrophobicContact CG-CE1 3.71Å; W462-F520 AromaticContact CG-CZ 3.97Å; W462-F520 HydrophobicContact CG-CZ 3.97Å; P509-F520 HydrophobicContact CB-CD1 3.84Å; P509-F520 HydrophobicContact CB-CE1 3.74Å; P509-F520 HydrophobicContact CG-CE1 3.94Å; G510-F520 WeakPolarHBondContact CA-O 3.39Å; S518-F520 WeakPolarHBondContact CB-O 3.34Å; F520-I522 HydrophobicContact CE1-CD1 4.27Å; F520-I522 HydrophobicContact CE1-CG1 4.2Å; F520-I522 HydrophobicContact CE2-CG1 4.32Å; F520-I522 HydrophobicContact CZ-CD1 3.78Å; F520-I522 HydrophobicContact CZ-CG1 3.74Å; F520-F573 HydrophobicContact CE2-CE1 4.01Å; F520-F573 HydrophobicContact CE2-CZ 4.17Å; F520-F573 AromaticContact CZ-CE1 3.9Å; F520-F573 HydrophobicContact CZ-CE1 3.9Å; F520-F573 HydrophobicContact CZ-CZ 4.31Å
521G98.4Very high96.8Very high3 Ų344.4 Ų44.43%0.03123%0.234CC..  trans-148.4151.417400000113.7P509P509-G521 CarbonylContact O-C 3.55Å; P509-G521 WeakPolarHBondContact O-CA 3.46Å
522I98.8Very high96.9Very high1 Ų148.5 Ų48.51%0.00526%0.256CS..  trans-122.6100.7174.3-53177.8000106.6W462 T508 P509 F520 A524 V527 F569 F573W462-I522 HydrophobicContact CD2-CD1 3.83Å; W462-I522 HydrophobicContact CE3-CD1 3.82Å; W462-I522 HydrophobicContact CH2-CD1 3.38Å; W462-I522 HydrophobicContact CZ2-CD1 3.37Å; W462-I522 HydrophobicContact CZ3-CD1 3.62Å; T508-I522 WeakPolarHBondContact CB-O 3.44Å; T508-I522 PolarHBondContact OG1-O 3.35Å; P509-I522 HydrophobicContact CG-CD1 4.47Å; P509-I522 PolarHBondContact O-N 3.42Å; F520-I522 HydrophobicContact CE1-CD1 4.27Å; F520-I522 HydrophobicContact CE1-CG1 4.2Å; F520-I522 HydrophobicContact CE2-CG1 4.32Å; F520-I522 HydrophobicContact CZ-CD1 3.78Å; F520-I522 HydrophobicContact CZ-CG1 3.74Å; I522-A524 PolarHBondContact O-N 3.41Å; I522-V527 HydrophobicContact CG2-CG2 4.1Å; I522-F569 HydrophobicContact CD1-CE1 4.44Å; I522-F569 HydrophobicContact CG2-CE1 4.12Å; I522-F569 HydrophobicContact CG2-CZ 3.96Å; I522-F573 HydrophobicContact CD1-CD1 4.08Å; I522-F573 HydrophobicContact CD1-CD2 4.39Å; I522-F573 HydrophobicContact CD1-CE1 3.76Å; I522-F573 HydrophobicContact CD1-CE2 4.1Å; I522-F573 HydrophobicContact CD1-CG 4.38Å; I522-F573 HydrophobicContact CD1-CZ 3.76Å; I522-F573 HydrophobicContact CG1-CE1 4.24Å; I522-F573 HydrophobicContact CG1-CE2 4.17Å; I522-F573 HydrophobicContact CG1-CZ 3.8Å; I522-F573 HydrophobicContact CG2-CE2 4.46Å
523P98.7Very high97.1Very high1 Ų146.6 Ų46.61%0.00625%0.248CC..  trans-55.1132.5176.5-2837.1000111.3S525 I526 Y544 I606 H607 I610P523-S525 PolarHBondContact O-N 3.33Å; P523-S525 VanDerWaalsContact O-N 3.16Å; P523-I526 HydrophobicContact CB-CD1 4.48Å; P523-I526 HydrophobicContact CG-CD1 4.45Å; P523-I526 WeakPolarHBondContact O-CB 3.47Å; P523-I526 PolarHBondContact O-N 2.97Å; P523-I526 VanDerWaalsContact O-N 3.07Å; P523-Y544 HydrophobicContact CG-CE1 4.49Å; P523-I606 HydrophobicContact CB-CG2 3.84Å; P523-I606 HydrophobicContact CG-CB 3.92Å; P523-I606 HydrophobicContact CG-CG2 3.56Å; P523-H607 HydrophobicContact CG-CB 4.19Å; P523-I610 HydrophobicContact CB-CD1 4.09Å; P523-I610 HydrophobicContact CG-CD1 3.96Å
524A98.7Very high97.5Very high0 Ų043.5 Ų43.50%024%0.235CC..Hα-helixtrans-63.8-23.7-173.500000112.9T508 I522 I526 V527 A528 T541 P543 L546T508-A524 HydrophobicContact CG2-CB 4.06Å; I522-A524 PolarHBondContact O-N 3.41Å; A524-I526 VanDerWaalsContact C-N 3.25Å; A524-I526 PolarHBondContact O-N 3.28Å; A524-V527 PolarHBondContact O-N 3.12Å; A524-V527 VanDerWaalsContact O-N 3.15Å; A524-A528 PolarHBondContact O-N 2.85Å; A524-T541 HydrophobicContact CB-CG2 3.96Å; A524-P543 PolarHBondContact N-O 2.96Å; A524-L546 HydrophobicContact CB-CD2 3.85Å; A524-L546 HydrophobicContact CB-CG 4.02Å
525S98.2Very high97.9Very high38 Ų3840.9 Ų40.927%0.26624%0.237SC..Hα-helixtrans-56.9-35.2172.654.30000113.4P523 A528 K529 F702P523-S525 PolarHBondContact O-N 3.33Å; P523-S525 VanDerWaalsContact O-N 3.16Å; S525-A528 PolarHBondContact O-N 3.23Å; S525-K529 PolarHBondContact O-N 3.08Å; S525-F702 WeakPolarHBondContact OG-CE1 3.36Å
526I98.7Very high98.2Very high0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-69.2-42.4177.5-60174.8000110.4P523 A524 A528 K529 Y530 F569 L583 I599 L602 A603 I606 F702P523-I526 HydrophobicContact CB-CD1 4.48Å; P523-I526 HydrophobicContact CG-CD1 4.45Å; P523-I526 WeakPolarHBondContact O-CB 3.47Å; P523-I526 PolarHBondContact O-N 2.97Å; P523-I526 VanDerWaalsContact O-N 3.07Å; A524-I526 VanDerWaalsContact C-N 3.25Å; A524-I526 PolarHBondContact O-N 3.28Å; I526-A528 VanDerWaalsContact C-N 3.35Å; I526-K529 PolarHBondContact O-N 2.85Å; I526-Y530 PolarHBondContact O-N 3.45Å; I526-F569 HydrophobicContact CG2-CE2 4.26Å; I526-F569 HydrophobicContact CG2-CZ 4.34Å; I526-L583 HydrophobicContact CG2-CD1 4.42Å; I526-I599 HydrophobicContact CG2-CD1 3.69Å; I526-L602 HydrophobicContact CD1-CG 4.15Å; I526-A603 HydrophobicContact CD1-CB 3.71Å; I526-I606 HydrophobicContact CD1-CD1 4.15Å; I526-I606 HydrophobicContact CG1-CD1 4.24Å; I526-F702 HydrophobicContact CG1-CE1 4.03Å; I526-F702 HydrophobicContact CG1-CZ 4.05Å
527V98.8Very high98.3Very high0 Ų043.2 Ų43.20%025%0.245CC..Hα-helixtrans-65.7-41.6177.1-172.90000110.1F464 T508 I522 A524 K529 Y530 L531 L546 L566 F569F464-V527 HydrophobicContact CE1-CG1 3.88Å; F464-V527 HydrophobicContact CE1-CG2 4.03Å; F464-V527 HydrophobicContact CZ-CG1 3.88Å; F464-V527 HydrophobicContact CZ-CG2 4.32Å; T508-V527 HydrophobicContact CG2-CG2 3.95Å; I522-V527 HydrophobicContact CG2-CG2 4.1Å; A524-V527 PolarHBondContact O-N 3.12Å; A524-V527 VanDerWaalsContact O-N 3.15Å; V527-K529 PolarHBondContact O-N 3.38Å; V527-Y530 WeakPolarHBondContact O-CB 3.38Å; V527-Y530 PolarHBondContact O-N 3.13Å; V527-L531 HydrophobicContact CG1-CD1 4.16Å; V527-L531 HydrophobicContact CG1-CG 4.38Å; V527-L531 VanDerWaalsContact O-CG 3.3Å; V527-L531 WeakPolarHBondContact O-CG 3.29Å; V527-L531 PolarHBondContact O-N 2.84Å; V527-L546 HydrophobicContact CB-CD1 3.88Å; V527-L546 HydrophobicContact CG1-CD1 3.57Å; V527-L566 HydrophobicContact CG1-CD2 4.45Å; V527-F569 HydrophobicContact CB-CZ 4.46Å; V527-F569 HydrophobicContact CG2-CD1 4.39Å; V527-F569 HydrophobicContact CG2-CE1 3.77Å; V527-F569 HydrophobicContact CG2-CE2 4.17Å; V527-F569 HydrophobicContact CG2-CZ 3.64Å
528A98.7Very high98.3Very high19 Ų1942.3 Ų42.316%0.15724%0.241CC..Hα-helixtrans-59-45.6175.900000111.8A524 S525 I526 Y530 L531 D532 V538 T541 L546A524-A528 PolarHBondContact O-N 2.85Å; S525-A528 PolarHBondContact O-N 3.23Å; I526-A528 VanDerWaalsContact C-N 3.35Å; A528-Y530 VanDerWaalsContact C-N 3.35Å; A528-Y530 PolarHBondContact O-N 2.99Å; A528-L531 PolarHBondContact O-N 3.09Å; A528-D532 PolarHBondContact O-N 3.02Å; A528-V538 HydrophobicContact CB-CG2 4.05Å; A528-T541 HydrophobicContact CB-CG2 4.29Å; A528-L546 HydrophobicContact CB-CD2 4.11Å
529K98.6Very high98.2Very high50 Ų5045.2 Ų45.222%0.21725%0.253CS..Hα-helixtrans-60.5-42173.7-73.8-177-177.8-69.80112.3S525 I526 V527 L531 D532 E533 L583 L586 G701 F702S525-K529 PolarHBondContact O-N 3.08Å; I526-K529 PolarHBondContact O-N 2.85Å; V527-K529 PolarHBondContact O-N 3.38Å; K529-L531 VanDerWaalsContact C-N 3.34Å; K529-L531 PolarHBondContact O-N 2.99Å; K529-D532 PolarHBondContact O-N 2.84Å; K529-E533 WeakPolarHBondContact O-CG 3.49Å; K529-E533 PolarHBondContact O-N 3.38Å; K529-E533 VanDerWaalsContact O-N 3.16Å; K529-L583 HydrophobicContact CB-CD2 4.29Å; K529-L586 HydrophobicContact CD-CD1 4.07Å; K529-L586 HydrophobicContact CD-CD2 4.13Å; K529-L586 HydrophobicContact CD-CG 4.48Å; K529-G701 WeakPolarHBondContact CE-O 3.24Å; K529-G701 PolarHBondContact NZ-O 3.34Å; K529-F702 HydrophobicContact CD-CE1 4.04Å; K529-F702 HydrophobicContact CD-CE2 4.16Å; K529-F702 HydrophobicContact CD-CZ 3.66Å
530Y98.8Very high98.2Very high12 Ų1238.6 Ų38.65%0.04722%0.216CC..Hα-helixtrans-63-40.5176.3-180-95.3000112.7I526 V527 A528 D532 E533 H534 A565 D568 F569 M582 L583I526-Y530 PolarHBondContact O-N 3.45Å; V527-Y530 WeakPolarHBondContact O-CB 3.38Å; V527-Y530 PolarHBondContact O-N 3.13Å; A528-Y530 VanDerWaalsContact C-N 3.35Å; A528-Y530 PolarHBondContact O-N 2.99Å; Y530-D532 VanDerWaalsContact C-N 3.32Å; Y530-E533 WeakPolarHBondContact O-CB 3.45Å; Y530-E533 PolarHBondContact O-N 3.33Å; Y530-H534 AromaticContact CD2-CE1 4Å; Y530-H534 AromaticContact CE1-CE1 3.68Å; Y530-H534 AromaticContact CE1-ND1 3.79Å; Y530-H534 AromaticContact CE2-CE1 3.44Å; Y530-H534 VanDerWaalsContact CE2-CE1 3.44Å; Y530-H534 WeakPolarHBondContact CE2-CE1 3.29Å; Y530-H534 AromaticContact CZ-CE1 3.27Å; Y530-H534 AromaticContact CZ-ND1 3.86Å; Y530-H534 AromaticContact CZ-NE2 3.87Å; Y530-H534 PolarHBondContact O-ND1 3.06Å; Y530-H534 PolarHBondContact OH-CE1 3.43Å; Y530-A565 WeakPolarHBondContact CE1-O 3.31Å; Y530-D568 WeakPolarHBondContact OH-CB 3.43Å; Y530-F569 HydrophobicContact CD1-CB 3.69Å; Y530-F569 AromaticContact CD1-CD2 3.65Å; Y530-F569 HydrophobicContact CD1-CD2 3.65Å; Y530-F569 HydrophobicContact CD1-CG 4.13Å; Y530-F569 AromaticContact CD2-CD2 3.98Å; Y530-F569 HydrophobicContact CD2-CD2 3.98Å; Y530-F569 HydrophobicContact CE1-CB 3.6Å; Y530-F569 HydrophobicContact CE1-CD2 4.27Å; Y530-F569 HydrophobicContact CE1-CG 4.46Å; Y530-F569 HydrophobicContact CG-CB 4.35Å; Y530-F569 AromaticContact CG-CD2 3.47Å; Y530-F569 HydrophobicContact CG-CD2 3.47Å; Y530-F569 VanDerWaalsContact CG-CD2 3.47Å; Y530-F569 HydrophobicContact CG-CE2 4.27Å; Y530-F569 HydrophobicContact CG-CG 4.38Å; Y530-M582 HydrophobicContact CD2-CE 3.53Å; Y530-M582 HydrophobicContact CD2-CG 3.9Å; Y530-M582 HydrophobicContact CE2-CE 3.79Å; Y530-M582 HydrophobicContact CE2-CG 4.02Å; Y530-M582 HydrophobicContact CG-CE 4.26Å; Y530-L583 HydrophobicContact CD2-CD2 4.24Å
531L98.7Very high98.2Very high0 Ų037.1 Ų37.10%021%0.214CC..Hα-helixtrans-65.8-37.1177.4-70.2174000111.5V527 A528 K529 E533 H534 G535 I536 V538 L546 F548 L562 A565 L566V527-L531 HydrophobicContact CG1-CD1 4.16Å; V527-L531 HydrophobicContact CG1-CG 4.38Å; V527-L531 VanDerWaalsContact O-CG 3.3Å; V527-L531 WeakPolarHBondContact O-CG 3.29Å; V527-L531 PolarHBondContact O-N 2.84Å; A528-L531 PolarHBondContact O-N 3.09Å; K529-L531 VanDerWaalsContact C-N 3.34Å; K529-L531 PolarHBondContact O-N 2.99Å; L531-E533 PolarHBondContact O-N 3.17Å; L531-H534 CarbonylContact O-C 3.57Å; L531-H534 WeakPolarHBondContact O-CA 3.48Å; L531-H534 PolarHBondContact O-N 2.77Å; L531-G535 PolarHBondContact O-N 3.46Å; L531-I536 CarbonylContact C-O 3.46Å; L531-I536 VanDerWaalsContact C-O 3.3Å; L531-I536 HydrophobicContact CB-CB 4.05Å; L531-I536 HydrophobicContact CB-CG2 4.28Å; L531-I536 WeakPolarHBondContact CB-O 3.46Å; L531-I536 HydrophobicContact CD2-CB 4.38Å; L531-I536 HydrophobicContact CD2-CD1 4.14Å; L531-I536 HydrophobicContact CD2-CG2 4.33Å; L531-I536 PolarHBondContact O-N 3.44Å; L531-V538 HydrophobicContact CB-CG2 4.46Å; L531-V538 HydrophobicContact CD1-CG2 3.7Å; L531-L546 HydrophobicContact CD1-CD1 4.46Å; L531-F548 HydrophobicContact CD1-CE1 4.1Å; L531-F548 HydrophobicContact CD1-CZ 3.62Å; L531-L562 HydrophobicContact CD2-CD1 4.12Å; L531-A565 HydrophobicContact CD2-CB 3.89Å; L531-L566 HydrophobicContact CD2-CD2 4.5Å
532D98.4Very high98.1Very high101 Ų10137.5 Ų37.554%0.5422%0.218SC..Hα-helixtrans-63.3-39.2175.8-166.265.6000112.4A528 K529 Y530 H534 G535A528-D532 PolarHBondContact O-N 3.02Å; K529-D532 PolarHBondContact O-N 2.84Å; Y530-D532 VanDerWaalsContact C-N 3.32Å; D532-H534 PolarHBondContact O-N 3.38Å; D532-G535 PolarHBondContact O-N 3.45Å
533E98.2Very high98Very high55 Ų5538 Ų3826%0.25722%0.222SC..Hα-helixtrans-57.7-24.8171.3-61.8-71.8-176.900112.9K529 Y530 L531 L583 P584 S585K529-E533 WeakPolarHBondContact O-CG 3.49Å; K529-E533 PolarHBondContact O-N 3.38Å; K529-E533 VanDerWaalsContact O-N 3.16Å; Y530-E533 WeakPolarHBondContact O-CB 3.45Å; Y530-E533 PolarHBondContact O-N 3.33Å; L531-E533 PolarHBondContact O-N 3.17Å; E533-L583 HydrophobicContact CG-CD2 4.21Å; E533-L583 VanDerWaalsContact OE1-C 3.31Å; E533-P584 WeakPolarHBondContact OE1-CD 3.44Å; E533-P584 WeakPolarHBondContact OE2-CG 3.23Å; E533-S585 WeakPolarHBondContact OE1-CA 3.5Å; E533-S585 WeakPolarHBondContact OE1-CB 3.34Å; E533-S585 PolarHBondContact OE1-N 2.94Å; E533-S585 PolarHBondContact OE1-OG 2.99Å
534H98.1Very high98Very high102 Ų10238 Ų3847%0.47222%0.221SC..THydrogen-bonded Turntrans-103.213.2179.1-62.677.2000112.5Y530 L531 D532 I536Y530-H534 AromaticContact CD2-CE1 4Å; Y530-H534 AromaticContact CE1-CE1 3.68Å; Y530-H534 AromaticContact CE1-ND1 3.79Å; Y530-H534 AromaticContact CE2-CE1 3.44Å; Y530-H534 VanDerWaalsContact CE2-CE1 3.44Å; Y530-H534 WeakPolarHBondContact CE2-CE1 3.29Å; Y530-H534 AromaticContact CZ-CE1 3.27Å; Y530-H534 AromaticContact CZ-ND1 3.86Å; Y530-H534 AromaticContact CZ-NE2 3.87Å; Y530-H534 PolarHBondContact O-ND1 3.06Å; Y530-H534 PolarHBondContact OH-CE1 3.43Å; L531-H534 CarbonylContact O-C 3.57Å; L531-H534 WeakPolarHBondContact O-CA 3.48Å; L531-H534 PolarHBondContact O-N 2.77Å; D532-H534 PolarHBondContact O-N 3.38Å; H534-I536 VanDerWaalsContact C-N 3.31Å; H534-I536 PolarHBondContact O-N 3.34Å
535G97.7Very high98Very high65 Ų6538.1 Ų38.167%0.6722%0.222SC*.THydrogen-bonded Turntrans69.225.3177.600000114.2L531 D532L531-G535 PolarHBondContact O-N 3.46Å; D532-G535 PolarHBondContact O-N 3.45Å
536I98.5Very high98Very high31 Ų3136.3 Ų36.316%0.15921%0.209CC..  trans-109.4110.5178.2-60.3176000109.2L531 H534 F548 L562 A565L531-I536 CarbonylContact C-O 3.46Å; L531-I536 VanDerWaalsContact C-O 3.3Å; L531-I536 HydrophobicContact CB-CB 4.05Å; L531-I536 HydrophobicContact CB-CG2 4.28Å; L531-I536 WeakPolarHBondContact CB-O 3.46Å; L531-I536 HydrophobicContact CD2-CB 4.38Å; L531-I536 HydrophobicContact CD2-CD1 4.14Å; L531-I536 HydrophobicContact CD2-CG2 4.33Å; L531-I536 PolarHBondContact O-N 3.44Å; H534-I536 VanDerWaalsContact C-N 3.31Å; H534-I536 PolarHBondContact O-N 3.34Å; I536-F548 HydrophobicContact CG2-CE1 4.22Å; I536-L562 HydrophobicContact CD1-CD1 4.34Å; I536-L562 HydrophobicContact CG2-CD1 4.02Å; I536-A565 HydrophobicContact CD1-CB 3.69Å
537V97.6Very high98Very high114 Ų11436.3 Ų36.369%0.69121%0.209SC*.  trans-82131.1177.8-178.20000110.4
538V98Very high98Very high23 Ų2337 Ų3714%0.13921%0.212CC..  trans-90.8128.7170.3-176.70000108.8A528 L531 K540 T541 L546 F548A528-V538 HydrophobicContact CB-CG2 4.05Å; L531-V538 HydrophobicContact CB-CG2 4.46Å; L531-V538 HydrophobicContact CD1-CG2 3.7Å; V538-K540 WeakPolarHBondContact CG1-O 3.42Å; V538-T541 WeakPolarHBondContact CG1-OG1 3.32Å; V538-L546 HydrophobicContact CG1-CB 4.02Å; V538-L546 HydrophobicContact CG1-CD2 3.78Å; V538-L546 HydrophobicContact CG2-CD2 4.15Å; V538-F548 HydrophobicContact CG2-CE1 4.01Å; V538-F548 HydrophobicContact CG2-CZ 4.01Å
539E96.5Very high98Very high79 Ų7937.3 Ų37.337%0.36921%0.211SC..SBendtrans-71.5-38-175.7-176.166.2-147.600112.6Y321 W346 L547 L549Y321-E539 HydrophobicContact CE1-CG 3.92Å; Y321-E539 WeakPolarHBondContact OH-CG 3.43Å; Y321-E539 PolarHBondContact OH-O 2.97Å; Y321-E539 PolarHBondContact OH-OE1 3.43Å; W346-E539 HydrophobicContact CH2-CG 4.46Å; W346-E539 VanDerWaalsContact CH2-OE1 3.32Å; W346-E539 WeakPolarHBondContact CH2-OE1 3.09Å; E539-L547 WeakPolarHBondContact CB-O 3.41Å; E539-L547 PolarHBondContact N-O 3.36Å; E539-L547 VanDerWaalsContact N-O 3.16Å; E539-L549 HydrophobicContact CB-CD1 4.37Å; E539-L549 HydrophobicContact CB-CG 4.1Å; E539-L549 HydrophobicContact CG-CD1 3.68Å; E539-L549 HydrophobicContact CG-CD2 4.31Å; E539-L549 HydrophobicContact CG-CG 3.86Å
540K95.5Very high98Very high34 Ų3435.1 Ų35.115%0.14820%0.202CC..EExtended strand (participates in β ladder)trans-150.8134.8175.3168.1173.1174.4-82.80110.2Y321 D322 V538 L547Y321-K540 HydrophobicContact CD1-CB 4.07Å; Y321-K540 HydrophobicContact CD1-CD 3.48Å; Y321-K540 VanDerWaalsContact CD1-CD 3.48Å; Y321-K540 HydrophobicContact CD1-CG 4.43Å; Y321-K540 HydrophobicContact CE1-CB 3.43Å; Y321-K540 VanDerWaalsContact CE1-CB 3.43Å; Y321-K540 HydrophobicContact CE1-CD 3.69Å; Y321-K540 HydrophobicContact CE1-CG 4.2Å; Y321-K540 HydrophobicContact CG-CD 4.23Å; D322-K540 VanDerWaalsContact CG-NZ 3.34Å; D322-K540 IonicContact OD1-NZ 3.93Å; D322-K540 PolarHBondContact OD1-NZ 2.87Å; D322-K540 IonicContact OD2-NZ 3.21Å; D322-K540 PolarHBondContact OD2-NZ 3.33Å; V538-K540 WeakPolarHBondContact CG1-O 3.42Å; K540-L547 HydrophobicContact CB-CB 4.07Å; K540-L547 HydrophobicContact CB-CD2 4.39Å; K540-L547 PolarHBondContact O-N 3.23Å
541T97.8Very high97.9Very high51 Ų5135.8 Ų35.831%0.31321%0.208SC..EExtended strand (participates in β ladder)trans-121.6122.1177.5-580000108.4A524 A528 V538 N545 L546A524-T541 HydrophobicContact CB-CG2 3.96Å; A528-T541 HydrophobicContact CB-CG2 4.29Å; V538-T541 WeakPolarHBondContact CG1-OG1 3.32Å; T541-N545 WeakPolarHBondContact CA-O 3.47Å; T541-L546 HydrophobicContact CG2-CD2 3.87Å
542G96.3Very high97.8Very high12 Ų1237.4 Ų37.412%0.12422%0.216CC..  trans-103.1-162.3164.700000110.8Y544 N545G542-Y544 PolarHBondContact O-N 3.1Å; G542-N545 WeakPolarHBondContact CA-OD1 3.24Å; G542-N545 PolarHBondContact N-O 2.89Å; G542-N545 PolarHBondContact N-OD1 2.74Å
543P97.1Very high97.6Very high12 Ų1234.4 Ų34.48%0.07821%0.21CC..SBendtrans-60.7-44.2-178.4-25.535.4000113.5A524 L615 M619 P666A524-P543 PolarHBondContact N-O 2.96Å; P543-L615 HydrophobicContact CB-CD2 4.27Å; P543-L615 HydrophobicContact CG-CD2 3.6Å; P543-M619 HydrophobicContact CG-CE 4.29Å; P543-P666 HydrophobicContact CG-CB 4.45Å; P543-P666 HydrophobicContact CG-CG 4.17Å
544Y98.6Very high97.5Very high0 Ų033.7 Ų33.70%021%0.207CC..SBendtrans-13523.4-176-62.3-76.4000113.4L507 T508 P509 M511 M517 P523 G542 H607 I610L507-Y544 WeakPolarHBondContact CA-O 3.39Å; T508-Y544 PolarHBondContact N-O 3.1Å; T508-Y544 WeakPolarHBondContact OG1-CA 3.42Å; T508-Y544 PolarHBondContact OG1-O 3.5Å; P509-Y544 WeakPolarHBondContact O-CD1 3.37Å; P509-Y544 WeakPolarHBondContact O-CE1 3.47Å; M511-Y544 HydrophobicContact CG-CD2 3.5Å; M511-Y544 VanDerWaalsContact CG-CD2 3.5Å; M511-Y544 HydrophobicContact CG-CE2 3.92Å; M511-Y544 HydrophobicContact CG-CG 4.15Å; M511-Y544 HydrophobicContact SD-CD2 3.68Å; M511-Y544 HydrophobicContact SD-CE2 4.35Å; M517-Y544 HydrophobicContact CE-CE2 3.71Å; M517-Y544 WeakPolarHBondContact CE-OH 3.47Å; M517-Y544 HydrophobicContact SD-CE2 4.36Å; P523-Y544 HydrophobicContact CG-CE1 4.49Å; G542-Y544 PolarHBondContact O-N 3.1Å; Y544-H607 AromaticContact CE1-ND1 3.93Å; Y544-H607 AromaticContact CZ-ND1 3.66Å; Y544-H607 PolarHBondContact OH-ND1 3.42Å; Y544-I610 HydrophobicContact CE2-CD1 4.46Å; Y544-I610 HydrophobicContact CE2-CG2 3.95Å; Y544-I610 WeakPolarHBondContact OH-CG2 3.42Å
545N98.5Very high97.2Very high2 Ų231.9 Ų31.91%0.01120%0.201CC..EExtended strand (participates in β ladder)trans-139.8146.9179.364.9-33.9000113.5I284 T505 L506 L507 T541 G542I284-N545 VanDerWaalsContact CG1-ND2 3.3Å; I284-N545 WeakPolarHBondContact CG1-ND2 3.47Å; T505-N545 HydrophobicContact CG2-CB 3.87Å; L506-N545 CarbonylContact O-C 3.59Å; L506-N545 WeakPolarHBondContact O-CA 3.43Å; L507-N545 HydrophobicContact CD2-CB 3.91Å; T541-N545 WeakPolarHBondContact CA-O 3.47Å; G542-N545 WeakPolarHBondContact CA-OD1 3.24Å; G542-N545 PolarHBondContact N-O 2.89Å; G542-N545 PolarHBondContact N-OD1 2.74Å
546L98.7Very high97.1Very high0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-128.7127.4178.2-58.7165.9000109.1T505 L506 T508 A524 V527 A528 L531 V538 T541 F548T505-L546 CarbonylContact C-O 3.53Å; T505-L546 WeakPolarHBondContact CA-O 3.06Å; L506-L546 HydrophobicContact CB-CB 4.46Å; L506-L546 PolarHBondContact N-O 3.11Å; L506-L546 PolarHBondContact O-N 3.46Å; T508-L546 HydrophobicContact CG2-CD1 4.48Å; A524-L546 HydrophobicContact CB-CD2 3.85Å; A524-L546 HydrophobicContact CB-CG 4.02Å; V527-L546 HydrophobicContact CB-CD1 3.88Å; V527-L546 HydrophobicContact CG1-CD1 3.57Å; A528-L546 HydrophobicContact CB-CD2 4.11Å; L531-L546 HydrophobicContact CD1-CD1 4.46Å; V538-L546 HydrophobicContact CG1-CB 4.02Å; V538-L546 HydrophobicContact CG1-CD2 3.78Å; V538-L546 HydrophobicContact CG2-CD2 4.15Å; T541-L546 HydrophobicContact CG2-CD2 3.87Å; L546-F548 HydrophobicContact CB-CE2 3.69Å; L546-F548 HydrophobicContact CB-CZ 4.14Å; L546-F548 HydrophobicContact CD1-CE2 4.43Å; L546-F548 HydrophobicContact CD1-CZ 4.46Å
547L98.7Very high96.9Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-98.5130.4176.6-176.367.5000111.6Y321 K503 T505 E539 K540 L549Y321-L547 HydrophobicContact CD1-CD2 3.47Å; Y321-L547 VanDerWaalsContact CD1-CD2 3.47Å; Y321-L547 HydrophobicContact CE1-CD2 3.55Å; Y321-L547 WeakPolarHBondContact O-CD2 3.21Å; K503-L547 HydrophobicContact CB-CD1 4.27Å; T505-L547 WeakPolarHBondContact OG1-CD1 3.45Å; E539-L547 WeakPolarHBondContact CB-O 3.41Å; E539-L547 PolarHBondContact N-O 3.36Å; E539-L547 VanDerWaalsContact N-O 3.16Å; K540-L547 HydrophobicContact CB-CB 4.07Å; K540-L547 HydrophobicContact CB-CD2 4.39Å; K540-L547 PolarHBondContact O-N 3.23Å; L547-L549 HydrophobicContact CD2-CD2 4.07Å; L547-L549 HydrophobicContact CG-CD2 4.22Å
548F98.8Very high96.9Very high14 Ų1437.4 Ų37.46%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-121.4131.6171.7-60.4-82.2000110.9V504 L506 L531 I536 V538 L546 F550 L562V504-F548 PolarHBondContact N-O 3.41Å; V504-F548 PolarHBondContact O-N 3.03Å; L506-F548 HydrophobicContact CD1-CD2 4.16Å; L506-F548 HydrophobicContact CD1-CE2 3.72Å; L506-F548 HydrophobicContact CG-CD2 4.16Å; L506-F548 HydrophobicContact CG-CE2 4.06Å; L531-F548 HydrophobicContact CD1-CE1 4.1Å; L531-F548 HydrophobicContact CD1-CZ 3.62Å; I536-F548 HydrophobicContact CG2-CE1 4.22Å; V538-F548 HydrophobicContact CG2-CE1 4.01Å; V538-F548 HydrophobicContact CG2-CZ 4.01Å; L546-F548 HydrophobicContact CB-CE2 3.69Å; L546-F548 HydrophobicContact CB-CZ 4.14Å; L546-F548 HydrophobicContact CD1-CE2 4.43Å; L546-F548 HydrophobicContact CD1-CZ 4.46Å; F548-F550 HydrophobicContact CB-CE2 4.11Å; F548-L562 HydrophobicContact CB-CD2 4.38Å; F548-L562 HydrophobicContact CD1-CD1 4.3Å; F548-L562 HydrophobicContact CD1-CD2 3.75Å; F548-L562 HydrophobicContact CD2-CD2 4.23Å; F548-L562 HydrophobicContact CE1-CD1 3.76Å; F548-L562 HydrophobicContact CE1-CD2 4.06Å; F548-L562 HydrophobicContact CG-CD2 3.84Å; F548-L562 HydrophobicContact CZ-CD1 3.89Å; F548-L562 HydrophobicContact CZ-CD2 4.43Å
549L98.5Very high96.9Very high27 Ų2736.8 Ų36.814%0.14120%0.2CC..EExtended strand (participates in β ladder)trans-96.2112179.5-54-176.4000110.5W346 L381 K503 E539 L547 S551 I554W346-L549 HydrophobicContact CE3-CD1 4.3Å; W346-L549 HydrophobicContact CH2-CD1 4.2Å; W346-L549 HydrophobicContact CZ3-CD1 3.51Å; L381-L549 HydrophobicContact CD2-CB 4.1Å; L381-L549 HydrophobicContact CD2-CD1 4.12Å; K503-L549 HydrophobicContact CD-CD2 3.35Å; E539-L549 HydrophobicContact CB-CD1 4.37Å; E539-L549 HydrophobicContact CB-CG 4.1Å; E539-L549 HydrophobicContact CG-CD1 3.68Å; E539-L549 HydrophobicContact CG-CD2 4.31Å; E539-L549 HydrophobicContact CG-CG 3.86Å; L547-L549 HydrophobicContact CD2-CD2 4.07Å; L547-L549 HydrophobicContact CG-CD2 4.22Å; L549-S551 PolarHBondContact O-N 2.98Å; L549-I554 WeakPolarHBondContact O-CG1 3.49Å
550F98.5Very high96.9Very high4 Ų437.6 Ų37.62%0.01821%0.206CC..  trans-84.963.8176.5-80.8-107.2000111.2S441 A445 F448 I502 V504 F548 I554 A559S441-F550 PolarHBondContact OG-O 3.33Å; A445-F550 HydrophobicContact CB-CB 3.72Å; A445-F550 HydrophobicContact CB-CD1 4.09Å; A445-F550 HydrophobicContact CB-CD2 4.45Å; A445-F550 HydrophobicContact CB-CG 3.83Å; F448-F550 HydrophobicContact CB-CE1 3.72Å; F448-F550 HydrophobicContact CB-CZ 3.64Å; F448-F550 HydrophobicContact CD1-CE1 4.44Å; F448-F550 AromaticContact CD1-CE2 3.96Å; F448-F550 HydrophobicContact CD1-CE2 3.96Å; F448-F550 AromaticContact CD1-CZ 3.51Å; F448-F550 HydrophobicContact CD1-CZ 3.51Å; F448-F550 HydrophobicContact CD2-CE1 4.37Å; F448-F550 AromaticContact CD2-CZ 3.83Å; F448-F550 HydrophobicContact CD2-CZ 3.83Å; F448-F550 HydrophobicContact CE1-CE2 4.32Å; F448-F550 HydrophobicContact CE1-CZ 4.05Å; F448-F550 HydrophobicContact CE2-CZ 4.34Å; F448-F550 AromaticContact CG-CE1 3.95Å; F448-F550 HydrophobicContact CG-CE1 3.95Å; F448-F550 HydrophobicContact CG-CE2 4.27Å; F448-F550 AromaticContact CG-CZ 3.37Å; F448-F550 HydrophobicContact CG-CZ 3.37Å; F448-F550 HydrophobicContact CZ-CZ 4.44Å; I502-F550 HydrophobicContact CB-CB 4.18Å; I502-F550 PolarHBondContact O-N 2.95Å; V504-F550 HydrophobicContact CB-CD2 4.04Å; V504-F550 HydrophobicContact CB-CE2 3.86Å; V504-F550 HydrophobicContact CG1-CE2 4.48Å; V504-F550 HydrophobicContact CG2-CD2 3.46Å; V504-F550 VanDerWaalsContact CG2-CD2 3.46Å; V504-F550 HydrophobicContact CG2-CE2 3.56Å; V504-F550 HydrophobicContact CG2-CG 4.35Å; V504-F550 HydrophobicContact CG2-CZ 4.49Å; F548-F550 HydrophobicContact CB-CE2 4.11Å; F550-I554 HydrophobicContact CD1-CG2 4.03Å; F550-I554 HydrophobicContact CE1-CG2 4.32Å; F550-A559 HydrophobicContact CE1-CB 4.06Å
551S96.9Very high97Very high25 Ų2539.1 Ų39.118%0.17522%0.221CC..  trans-66.8172.9179.477.50000112.9L549 G553 I554L549-S551 PolarHBondContact O-N 2.98Å; S551-G553 PolarHBondContact O-N 3.48Å; S551-G553 VanDerWaalsContact O-N 3.12Å; S551-G553 PolarHBondContact OG-N 3.17Å; S551-I554 PolarHBondContact O-N 3.06Å
552I96.5Very high97.1Very high34 Ų3437.2 Ų37.217%0.17421%0.209CC..THydrogen-bonded Turntrans-60-20.7172.959.3174.6000113.2A383 M429 L437 I438A383-I552 HydrophobicContact CB-CD1 4.22Å; M429-I552 HydrophobicContact CE-CD1 4.03Å; L437-I552 HydrophobicContact CB-CG2 4.24Å; I438-I552 HydrophobicContact CD1-CG2 3.66Å
553G95Very high97.2Very high39 Ų3937.4 Ų37.440%0.40221%0.207SC..THydrogen-bonded Turntrans-83.3-8.1174.800000114.6S551 K558S551-G553 PolarHBondContact O-N 3.48Å; S551-G553 VanDerWaalsContact O-N 3.12Å; S551-G553 PolarHBondContact OG-N 3.17Å; G553-K558 PolarHBondContact O-NZ 3.2Å
554I95.9Very high97.3Very high40 Ų4043.7 Ų43.721%0.20523%0.229CC..  trans-89.9111.8172.6-57.4-53000108.6R444 L549 F550 S551 K558R444-I554 VanDerWaalsContact CZ-O 3.22Å; R444-I554 PolarHBondContact NE-O 3.36Å; R444-I554 PolarHBondContact NH2-O 3.12Å; L549-I554 WeakPolarHBondContact O-CG1 3.49Å; F550-I554 HydrophobicContact CD1-CG2 4.03Å; F550-I554 HydrophobicContact CE1-CG2 4.32Å; S551-I554 PolarHBondContact O-N 3.06Å; I554-K558 HydrophobicContact CD1-CD 3.93Å; I554-K558 HydrophobicContact CG2-CB 4.23Å
555D92.5Very high97.3Very high63 Ų6344.1 Ų44.134%0.33723%0.232SC..  trans-97.7-179.2177.572.6-16.5000111.6T557 K558 A559D555-T557 PolarHBondContact O-N 2.94Å; D555-T557 WeakPolarHBondContact OD1-CB 3.45Å; D555-T557 PolarHBondContact OD1-N 2.86Å; D555-T557 WeakPolarHBondContact OD2-CB 3.4Å; D555-T557 PolarHBondContact OD2-OG1 3.11Å; D555-K558 PolarHBondContact O-N 2.92Å; D555-K558 WeakPolarHBondContact OD1-CG 3.42Å; D555-K558 PolarHBondContact OD1-N 3.38Å; D555-A559 PolarHBondContact O-N 3.49Å; D555-A559 VanDerWaalsContact O-N 3.17Å
556K93.7Very high97.3Very high131 Ų13144 Ų4457%0.5723%0.232SC*.Hα-helixtrans-58.7-33.9175.756.8178-179.8-84.70112.7L560K556-L560 WeakPolarHBondContact O-CB 3.31Å; K556-L560 WeakPolarHBondContact O-CG 3.42Å; K556-L560 PolarHBondContact O-N 2.94Å
557T94.7Very high97.3Very high81 Ų8145.8 Ų45.850%0.49724%0.243SC..Hα-helixtrans-64.6-53.4-178.6-45.70000110.3D555 A559 L560 S561D555-T557 PolarHBondContact O-N 2.94Å; D555-T557 WeakPolarHBondContact OD1-CB 3.45Å; D555-T557 PolarHBondContact OD1-N 2.86Å; D555-T557 WeakPolarHBondContact OD2-CB 3.4Å; D555-T557 PolarHBondContact OD2-OG1 3.11Å; T557-A559 VanDerWaalsContact C-N 3.34Å; T557-A559 PolarHBondContact O-N 2.89Å; T557-L560 PolarHBondContact O-N 3.28Å; T557-S561 PolarHBondContact O-N 3.46Å; T557-S561 PolarHBondContact O-OG 3.13Å
558K97.6Very high97.3Very high115 Ų11547.1 Ų47.150%0.525%0.25SS..Hα-helixtrans-63.2-39.5179.2-68.6172.6-173.8176.40112.2G553 I554 D555 L560 S561 L562G553-K558 PolarHBondContact O-NZ 3.2Å; I554-K558 HydrophobicContact CD1-CD 3.93Å; I554-K558 HydrophobicContact CG2-CB 4.23Å; D555-K558 PolarHBondContact O-N 2.92Å; D555-K558 WeakPolarHBondContact OD1-CG 3.42Å; D555-K558 PolarHBondContact OD1-N 3.38Å; K558-L560 PolarHBondContact O-N 2.95Å; K558-S561 PolarHBondContact O-N 3.36Å; K558-L562 PolarHBondContact O-N 2.98Å
559A97.5Very high97.3Very high9 Ų946.5 Ų46.57%0.07425%0.247CC..Hα-helixtrans-61.2-43.3175.600000112.1F550 D555 T557 L562 L563F550-A559 HydrophobicContact CE1-CB 4.06Å; D555-A559 PolarHBondContact O-N 3.49Å; D555-A559 VanDerWaalsContact O-N 3.17Å; T557-A559 VanDerWaalsContact C-N 3.34Å; T557-A559 PolarHBondContact O-N 2.89Å; A559-L562 PolarHBondContact O-N 3.2Å; A559-L563 WeakPolarHBondContact O-CB 3.4Å; A559-L563 PolarHBondContact O-N 2.9Å
560L97.8Very high97.3Very high97 Ų9745.8 Ų45.851%0.50824%0.243SC..Hα-helixtrans-67.4-39.6175.1-75.6172.1000112.5K556 T557 K558 L563 R564K556-L560 WeakPolarHBondContact O-CB 3.31Å; K556-L560 WeakPolarHBondContact O-CG 3.42Å; K556-L560 PolarHBondContact O-N 2.94Å; T557-L560 PolarHBondContact O-N 3.28Å; K558-L560 PolarHBondContact O-N 2.95Å; L560-L563 PolarHBondContact O-N 2.77Å; L560-R564 WeakPolarHBondContact O-CB 3.49Å; L560-R564 PolarHBondContact O-N 2.94Å
561S98.3Very high97.3Very high65 Ų6551.7 Ų51.746%0.45527%0.265SS..Hα-helixtrans-59.9-45.1175-64.40000111.8T557 K558 R564 A565T557-S561 PolarHBondContact O-N 3.46Å; T557-S561 PolarHBondContact O-OG 3.13Å; K558-S561 PolarHBondContact O-N 3.36Å; S561-R564 PolarHBondContact O-N 3.26Å; S561-A565 WeakPolarHBondContact O-CB 3.15Å; S561-A565 PolarHBondContact O-N 3.44Å
562L98.7Very high97.3Very high12 Ų1250.7 Ų50.76%0.06326%0.258CS..Hα-helixtrans-62.2-48.5174.6175.360.2000111.4F448 L531 I536 F548 K558 A559 R564 A565 L566F448-L562 HydrophobicContact CE1-CD2 4.35Å; F448-L562 HydrophobicContact CE2-CB 4.33Å; F448-L562 HydrophobicContact CE2-CD2 3.91Å; F448-L562 HydrophobicContact CE2-CG 3.96Å; F448-L562 HydrophobicContact CZ-CD2 3.6Å; F448-L562 HydrophobicContact CZ-CG 3.86Å; L531-L562 HydrophobicContact CD2-CD1 4.12Å; I536-L562 HydrophobicContact CD1-CD1 4.34Å; I536-L562 HydrophobicContact CG2-CD1 4.02Å; F548-L562 HydrophobicContact CB-CD2 4.38Å; F548-L562 HydrophobicContact CD1-CD1 4.3Å; F548-L562 HydrophobicContact CD1-CD2 3.75Å; F548-L562 HydrophobicContact CD2-CD2 4.23Å; F548-L562 HydrophobicContact CE1-CD1 3.76Å; F548-L562 HydrophobicContact CE1-CD2 4.06Å; F548-L562 HydrophobicContact CG-CD2 3.84Å; F548-L562 HydrophobicContact CZ-CD1 3.89Å; F548-L562 HydrophobicContact CZ-CD2 4.43Å; K558-L562 PolarHBondContact O-N 2.98Å; A559-L562 PolarHBondContact O-N 3.2Å; L562-R564 VanDerWaalsContact C-N 3.26Å; L562-R564 PolarHBondContact O-N 3.03Å; L562-A565 PolarHBondContact O-N 3.46Å; L562-L566 HydrophobicContact CD1-CD1 4.17Å; L562-L566 HydrophobicContact CD1-CG 4.18Å; L562-L566 HydrophobicContact CG-CD1 4.16Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.49Å; L562-L566 PolarHBondContact O-N 3.13Å
563L98.6Very high97.4Very high15 Ų1549.3 Ų49.38%0.07925%0.251CS..Hα-helixtrans-57-43.2178.5-168.966.8000111.2F448 E451 I452 L455 A559 L560 L566 T567F448-L563 HydrophobicContact CD2-CB 4.49Å; F448-L563 HydrophobicContact CD2-CD1 4.44Å; F448-L563 HydrophobicContact CE2-CB 4.05Å; F448-L563 HydrophobicContact CE2-CD1 4.06Å; E451-L563 HydrophobicContact CB-CD1 4.23Å; E451-L563 HydrophobicContact CB-CD2 3.98Å; E451-L563 HydrophobicContact CG-CD2 4.36Å; I452-L563 HydrophobicContact CD1-CD1 3.61Å; I452-L563 HydrophobicContact CG1-CD1 4.29Å; L455-L563 HydrophobicContact CD1-CD1 3.68Å; L455-L563 HydrophobicContact CD1-CD2 4.35Å; L455-L563 HydrophobicContact CD1-CG 4.03Å; A559-L563 WeakPolarHBondContact O-CB 3.4Å; A559-L563 PolarHBondContact O-N 2.9Å; L560-L563 PolarHBondContact O-N 2.77Å; L563-L566 PolarHBondContact O-N 3.41Å; L563-T567 PolarHBondContact O-N 2.95Å
564R98.5Very high97.6Very high145 Ų14550.7 Ų50.755%0.54725%0.25SC..Hα-helixtrans-65.6-46.5177.4-178.564.5-160.9-179.35.1111.8L560 S561 L562 L566 T567 D568L560-R564 WeakPolarHBondContact O-CB 3.49Å; L560-R564 PolarHBondContact O-N 2.94Å; S561-R564 PolarHBondContact O-N 3.26Å; L562-R564 VanDerWaalsContact C-N 3.26Å; L562-R564 PolarHBondContact O-N 3.03Å; R564-L566 VanDerWaalsContact C-N 3.27Å; R564-L566 PolarHBondContact O-N 2.95Å; R564-T567 PolarHBondContact O-N 2.89Å; R564-T567 VanDerWaalsContact O-N 3.1Å; R564-T567 PolarHBondContact O-OG1 3.26Å; R564-D568 IonicContact CZ-OD1 3.98Å; R564-D568 IonicContact CZ-OD2 2.85Å; R564-D568 IonicContact NE-OD1 3.38Å; R564-D568 IonicContact NE-OD2 3.34Å; R564-D568 PolarHBondContact NE-OD2 3.48Å; R564-D568 IonicContact NH2-OD1 3.78Å; R564-D568 PolarHBondContact NH2-OD1 3.43Å; R564-D568 IonicContact NH2-OD2 3.41Å; R564-D568 PolarHBondContact NH2-OD2 3.32Å; R564-D568 PolarHBondContact O-N 3.04Å
565A98.7Very high97.7Very high8 Ų853.8 Ų53.87%0.06627%0.266CS..Hα-helixtrans-58.1-39.7178.100000111.8Y530 L531 I536 S561 L562 D568 F569Y530-A565 WeakPolarHBondContact CE1-O 3.31Å; L531-A565 HydrophobicContact CD2-CB 3.89Å; I536-A565 HydrophobicContact CD1-CB 3.69Å; S561-A565 WeakPolarHBondContact O-CB 3.15Å; S561-A565 PolarHBondContact O-N 3.44Å; L562-A565 PolarHBondContact O-N 3.46Å; A565-D568 PolarHBondContact O-N 3.14Å; A565-F569 WeakPolarHBondContact O-CB 3.34Å; A565-F569 PolarHBondContact O-N 3Å
566L98.7Very high98Very high0 Ų052.8 Ų52.80%026%0.26CS..Hα-helixtrans-64.3-42.2175.2-65.3168.1000112.1F448 I452 F464 L506 V527 L531 L562 L563 R564 F569 K570F448-L566 HydrophobicContact CZ-CD1 3.97Å; I452-L566 HydrophobicContact CD1-CD1 3.83Å; F464-L566 HydrophobicContact CD2-CB 4.07Å; F464-L566 HydrophobicContact CD2-CD2 4.16Å; F464-L566 HydrophobicContact CE1-CD2 4.18Å; F464-L566 HydrophobicContact CE2-CB 3.82Å; F464-L566 HydrophobicContact CE2-CD2 3.75Å; F464-L566 HydrophobicContact CE2-CG 4.36Å; F464-L566 HydrophobicContact CZ-CD2 3.75Å; L506-L566 HydrophobicContact CD1-CD1 3.48Å; L506-L566 VanDerWaalsContact CD1-CD1 3.48Å; L506-L566 HydrophobicContact CD1-CD2 4.1Å; L506-L566 HydrophobicContact CD1-CG 4.46Å; V527-L566 HydrophobicContact CG1-CD2 4.45Å; L531-L566 HydrophobicContact CD2-CD2 4.5Å; L562-L566 HydrophobicContact CD1-CD1 4.17Å; L562-L566 HydrophobicContact CD1-CG 4.18Å; L562-L566 HydrophobicContact CG-CD1 4.16Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.49Å; L562-L566 PolarHBondContact O-N 3.13Å; L563-L566 PolarHBondContact O-N 3.41Å; R564-L566 VanDerWaalsContact C-N 3.27Å; R564-L566 PolarHBondContact O-N 2.95Å; L566-F569 WeakPolarHBondContact O-CB 3.45Å; L566-F569 PolarHBondContact O-N 3.23Å; L566-K570 PolarHBondContact O-N 2.67Å; L566-K570 VanDerWaalsContact O-N 3.15Å
567T98.5Very high98.2Very high37 Ų3749.2 Ų49.223%0.22725%0.247CC..Hα-helixtrans-66.8-37.4175.460.20000112.7L455 F463 L563 R564 K570 R571L455-T567 HydrophobicContact CD1-CG2 3.93Å; F463-T567 HydrophobicContact CE2-CG2 4.32Å; F463-T567 HydrophobicContact CZ-CG2 4.23Å; L563-T567 PolarHBondContact O-N 2.95Å; R564-T567 PolarHBondContact O-N 2.89Å; R564-T567 VanDerWaalsContact O-N 3.1Å; R564-T567 PolarHBondContact O-OG1 3.26Å; T567-K570 PolarHBondContact O-N 3.14Å; T567-R571 WeakPolarHBondContact O-CB 3.5Å; T567-R571 PolarHBondContact O-N 3.1Å
568D98.6Very high98.4Very high29 Ų2948.5 Ų48.516%0.15524%0.235CC..Hα-helixtrans-70.8-33.7176.1-83.9-46.4000112.1Y530 R564 A565 R571 A572Y530-D568 WeakPolarHBondContact OH-CB 3.43Å; R564-D568 IonicContact CZ-OD1 3.98Å; R564-D568 IonicContact CZ-OD2 2.85Å; R564-D568 IonicContact NE-OD1 3.38Å; R564-D568 IonicContact NE-OD2 3.34Å; R564-D568 PolarHBondContact NE-OD2 3.48Å; R564-D568 IonicContact NH2-OD1 3.78Å; R564-D568 PolarHBondContact NH2-OD1 3.43Å; R564-D568 IonicContact NH2-OD2 3.41Å; R564-D568 PolarHBondContact NH2-OD2 3.32Å; R564-D568 PolarHBondContact O-N 3.04Å; A565-D568 PolarHBondContact O-N 3.14Å; D568-R571 PolarHBondContact O-N 3.22Å; D568-R571 IonicContact OD1-CZ 3.02Å; D568-R571 IonicContact OD1-NE 2.79Å; D568-R571 PolarHBondContact OD1-NE 3.23Å; D568-R571 IonicContact OD1-NH2 3.83Å; D568-R571 PolarHBondContact OD1-NH2 2.88Å; D568-A572 VanDerWaalsContact O-CB 3.29Å; D568-A572 WeakPolarHBondContact O-CB 3.27Å; D568-A572 PolarHBondContact O-N 3.17Å
569F98.8Very high98.5Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-57.5-53170176.7-94.7000110.6W462 F464 I522 I526 V527 Y530 A565 L566 R571 A572 F573 M582W462-F569 AromaticContact CH2-CD1 3.87Å; W462-F569 HydrophobicContact CH2-CD1 3.87Å; W462-F569 AromaticContact CH2-CE1 3.75Å; W462-F569 HydrophobicContact CH2-CE1 3.75Å; W462-F569 HydrophobicContact CZ2-CE1 4.34Å; F464-F569 HydrophobicContact CE2-CD1 4.23Å; F464-F569 AromaticContact CZ-CD1 3.67Å; F464-F569 HydrophobicContact CZ-CD1 3.67Å; F464-F569 HydrophobicContact CZ-CE1 4.22Å; F464-F569 HydrophobicContact CZ-CG 4.42Å; I522-F569 HydrophobicContact CD1-CE1 4.44Å; I522-F569 HydrophobicContact CG2-CE1 4.12Å; I522-F569 HydrophobicContact CG2-CZ 3.96Å; I526-F569 HydrophobicContact CG2-CE2 4.26Å; I526-F569 HydrophobicContact CG2-CZ 4.34Å; V527-F569 HydrophobicContact CB-CZ 4.46Å; V527-F569 HydrophobicContact CG2-CD1 4.39Å; V527-F569 HydrophobicContact CG2-CE1 3.77Å; V527-F569 HydrophobicContact CG2-CE2 4.17Å; V527-F569 HydrophobicContact CG2-CZ 3.64Å; Y530-F569 HydrophobicContact CD1-CB 3.69Å; Y530-F569 AromaticContact CD1-CD2 3.65Å; Y530-F569 HydrophobicContact CD1-CD2 3.65Å; Y530-F569 HydrophobicContact CD1-CG 4.13Å; Y530-F569 AromaticContact CD2-CD2 3.98Å; Y530-F569 HydrophobicContact CD2-CD2 3.98Å; Y530-F569 HydrophobicContact CE1-CB 3.6Å; Y530-F569 HydrophobicContact CE1-CD2 4.27Å; Y530-F569 HydrophobicContact CE1-CG 4.46Å; Y530-F569 HydrophobicContact CG-CB 4.35Å; Y530-F569 AromaticContact CG-CD2 3.47Å; Y530-F569 HydrophobicContact CG-CD2 3.47Å; Y530-F569 VanDerWaalsContact CG-CD2 3.47Å; Y530-F569 HydrophobicContact CG-CE2 4.27Å; Y530-F569 HydrophobicContact CG-CG 4.38Å; A565-F569 WeakPolarHBondContact O-CB 3.34Å; A565-F569 PolarHBondContact O-N 3Å; L566-F569 WeakPolarHBondContact O-CB 3.45Å; L566-F569 PolarHBondContact O-N 3.23Å; F569-R571 VanDerWaalsContact C-N 3.35Å; F569-R571 PolarHBondContact O-N 2.84Å; F569-A572 PolarHBondContact O-N 3.49Å; F569-F573 HydrophobicContact CE1-CB 4.34Å; F569-F573 HydrophobicContact CE1-CD2 4.43Å; F569-F573 HydrophobicContact CZ-CD2 4.19Å; F569-F573 VanDerWaalsContact O-CB 3.23Å; F569-F573 WeakPolarHBondContact O-CB 3.48Å; F569-F573 PolarHBondContact O-N 3.36Å; F569-M582 HydrophobicContact CD2-CE 3.46Å; F569-M582 VanDerWaalsContact CD2-CE 3.46Å; F569-M582 HydrophobicContact CE2-CE 3.55Å; F569-M582 HydrophobicContact CG-CE 4.36Å; F569-M582 HydrophobicContact CZ-CE 4.48Å
570K98.6Very high98.5Very high13 Ų1345.6 Ų45.66%0.05722%0.221CC..Hα-helixtrans-56.6-49.3177.3171.5173.8166.959.90111.1D460 W462 F463 L566 T567 A572 F573 D574D460-K570 VanDerWaalsContact O-CE 3.29Å; D460-K570 WeakPolarHBondContact O-CE 3.3Å; D460-K570 PolarHBondContact O-NZ 3.2Å; W462-K570 HydrophobicContact CH2-CB 4.03Å; W462-K570 HydrophobicContact CH2-CG 4.38Å; W462-K570 HydrophobicContact CZ2-CB 3.94Å; W462-K570 HydrophobicContact CZ2-CG 3.9Å; W462-K570 WeakPolarHBondContact O-CD 3.41Å; W462-K570 WeakPolarHBondContact O-CE 3.31Å; W462-K570 PolarHBondContact O-NZ 3.01Å; F463-K570 HydrophobicContact CD2-CD 3.6Å; F463-K570 HydrophobicContact CE2-CD 4.11Å; L566-K570 PolarHBondContact O-N 2.67Å; L566-K570 VanDerWaalsContact O-N 3.15Å; T567-K570 PolarHBondContact O-N 3.14Å; K570-A572 VanDerWaalsContact C-N 3.34Å; K570-A572 PolarHBondContact O-N 2.9Å; K570-F573 WeakPolarHBondContact O-CB 3.44Å; K570-F573 PolarHBondContact O-N 2.86Å; K570-D574 VanDerWaalsContact CG-OD2 3.31Å; K570-D574 WeakPolarHBondContact CG-OD2 3.47Å; K570-D574 IonicContact NZ-OD2 3.79Å; K570-D574 PolarHBondContact NZ-OD2 3.01Å; K570-D574 WeakPolarHBondContact O-CB 3.49Å; K570-D574 VanDerWaalsContact O-CG 3.3Å; K570-D574 PolarHBondContact O-N 3.33Å
571R98.4Very high98.5Very high127 Ų12746.1 Ų46.148%0.47923%0.225SC..Hα-helixtrans-56.6-45.8178.8-175.4-173.563.8741.8112.2T567 D568 F569 L575T567-R571 WeakPolarHBondContact O-CB 3.5Å; T567-R571 PolarHBondContact O-N 3.1Å; D568-R571 PolarHBondContact O-N 3.22Å; D568-R571 IonicContact OD1-CZ 3.02Å; D568-R571 IonicContact OD1-NE 2.79Å; D568-R571 PolarHBondContact OD1-NE 3.23Å; D568-R571 IonicContact OD1-NH2 3.83Å; D568-R571 PolarHBondContact OD1-NH2 2.88Å; F569-R571 VanDerWaalsContact C-N 3.35Å; F569-R571 PolarHBondContact O-N 2.84Å; R571-L575 HydrophobicContact CG-CD1 4.38Å; R571-L575 WeakPolarHBondContact O-CB 3.44Å; R571-L575 VanDerWaalsContact O-CG 3.29Å; R571-L575 WeakPolarHBondContact O-CG 3.34Å; R571-L575 PolarHBondContact O-N 2.76Å; R571-L575 VanDerWaalsContact O-N 3.12Å
572A98.5Very high98.5Very high4 Ų443.5 Ų43.53%0.03321%0.205CC..Hα-helixtrans-70.2-36.4179.300000112.5D568 F569 K570 N576 L577 M582D568-A572 VanDerWaalsContact O-CB 3.29Å; D568-A572 WeakPolarHBondContact O-CB 3.27Å; D568-A572 PolarHBondContact O-N 3.17Å; F569-A572 PolarHBondContact O-N 3.49Å; K570-A572 VanDerWaalsContact C-N 3.34Å; K570-A572 PolarHBondContact O-N 2.9Å; A572-N576 PolarHBondContact O-N 2.71Å; A572-L577 HydrophobicContact CB-CD1 3.86Å; A572-L577 HydrophobicContact CB-CG 4.4Å; A572-L577 PolarHBondContact O-N 2.79Å; A572-M582 HydrophobicContact CB-CE 3.89Å; A572-M582 HydrophobicContact CB-CG 4.47Å; A572-M582 HydrophobicContact CB-SD 3.75Å
573F98.8Very high98.5Very high6 Ų642.9 Ų42.93%0.02620%0.202CC..Hα-helixtrans-64.2-46.5175.1-175.3-91.2000111.5W462 F520 I522 F569 K570 L575 N576 I599 Q600 A603W462-F573 AromaticContact CE2-CD1 3.92Å; W462-F573 HydrophobicContact CZ2-CB 4.17Å; W462-F573 AromaticContact CZ2-CD1 3.68Å; W462-F573 HydrophobicContact CZ2-CD1 3.68Å; W462-F573 HydrophobicContact CZ2-CE1 4.36Å; W462-F573 HydrophobicContact CZ2-CG 4.04Å; W462-F573 AromaticContact NE1-CD1 3.74Å; F520-F573 HydrophobicContact CE2-CE1 4.01Å; F520-F573 HydrophobicContact CE2-CZ 4.17Å; F520-F573 AromaticContact CZ-CE1 3.9Å; F520-F573 HydrophobicContact CZ-CE1 3.9Å; F520-F573 HydrophobicContact CZ-CZ 4.31Å; I522-F573 HydrophobicContact CD1-CD1 4.08Å; I522-F573 HydrophobicContact CD1-CD2 4.39Å; I522-F573 HydrophobicContact CD1-CE1 3.76Å; I522-F573 HydrophobicContact CD1-CE2 4.1Å; I522-F573 HydrophobicContact CD1-CG 4.38Å; I522-F573 HydrophobicContact CD1-CZ 3.76Å; I522-F573 HydrophobicContact CG1-CE1 4.24Å; I522-F573 HydrophobicContact CG1-CE2 4.17Å; I522-F573 HydrophobicContact CG1-CZ 3.8Å; I522-F573 HydrophobicContact CG2-CE2 4.46Å; F569-F573 HydrophobicContact CE1-CB 4.34Å; F569-F573 HydrophobicContact CE1-CD2 4.43Å; F569-F573 HydrophobicContact CZ-CD2 4.19Å; F569-F573 VanDerWaalsContact O-CB 3.23Å; F569-F573 WeakPolarHBondContact O-CB 3.48Å; F569-F573 PolarHBondContact O-N 3.36Å; K570-F573 WeakPolarHBondContact O-CB 3.44Å; K570-F573 PolarHBondContact O-N 2.86Å; F573-L575 VanDerWaalsContact C-N 3.33Å; F573-L575 PolarHBondContact O-N 2.93Å; F573-N576 WeakPolarHBondContact O-CA 3.42Å; F573-N576 PolarHBondContact O-N 2.92Å; F573-I599 HydrophobicContact CD2-CG1 3.91Å; F573-I599 HydrophobicContact CD2-CG2 4.17Å; F573-I599 HydrophobicContact CE2-CG1 4.43Å; F573-Q600 HydrophobicContact CD1-CG 4.34Å; F573-Q600 HydrophobicContact CE1-CG 3.99Å; F573-Q600 HydrophobicContact CE2-CG 4.18Å; F573-Q600 HydrophobicContact CZ-CB 4.42Å; F573-Q600 HydrophobicContact CZ-CG 3.91Å; F573-Q600 WeakPolarHBondContact O-CG 3.24Å; F573-Q600 PolarHBondContact O-NE2 3.35Å; F573-A603 HydrophobicContact CE2-CB 3.59Å; F573-A603 HydrophobicContact CZ-CB 4.01Å
574D98.4Very high98.5Very high68 Ų6844.3 Ų44.336%0.36421%0.212SC..Hα-helixtrans-69.5-30.3-179.6-66.8-17.6000111.7W462 K570 N576W462-D574 PolarHBondContact NE1-OD1 2.78Å; K570-D574 VanDerWaalsContact CG-OD2 3.31Å; K570-D574 WeakPolarHBondContact CG-OD2 3.47Å; K570-D574 IonicContact NZ-OD2 3.79Å; K570-D574 PolarHBondContact NZ-OD2 3.01Å; K570-D574 WeakPolarHBondContact O-CB 3.49Å; K570-D574 VanDerWaalsContact O-CG 3.3Å; K570-D574 PolarHBondContact O-N 3.33Å; D574-N576 PolarHBondContact O-N 2.95Å
575L98.3Very high98.5Very high105 Ų10538.9 Ų38.955%0.5520%0.197SC..THydrogen-bonded Turntrans-73.4-5.6169.1-73.3172.6000114.1R571 F573 L577R571-L575 HydrophobicContact CG-CD1 4.38Å; R571-L575 WeakPolarHBondContact O-CB 3.44Å; R571-L575 VanDerWaalsContact O-CG 3.29Å; R571-L575 WeakPolarHBondContact O-CG 3.34Å; R571-L575 PolarHBondContact O-N 2.76Å; R571-L575 VanDerWaalsContact O-N 3.12Å; F573-L575 VanDerWaalsContact C-N 3.33Å; F573-L575 PolarHBondContact O-N 2.93Å; L575-L577 HydrophobicContact CB-CD2 3.95Å; L575-L577 HydrophobicContact CB-CG 4.29Å; L575-L577 PolarHBondContact O-N 3.38Å
576N98.6Very high98.5Very high41 Ų4138.6 Ų38.622%0.21919%0.194CC..THydrogen-bonded Turntrans4950.1-179.6-161.414.7000113.6A572 F573 D574 R598 Q600A572-N576 PolarHBondContact O-N 2.71Å; F573-N576 WeakPolarHBondContact O-CA 3.42Å; F573-N576 PolarHBondContact O-N 2.92Å; D574-N576 PolarHBondContact O-N 2.95Å; N576-R598 WeakPolarHBondContact O-CD 3.42Å; N576-R598 PolarHBondContact O-NH1 3.4Å; N576-R598 WeakPolarHBondContact OD1-CB 3.37Å; N576-Q600 HydrophobicContact CB-CG 3.99Å; N576-Q600 VanDerWaalsContact CG-CD 3.5Å; N576-Q600 PolarHBondContact ND2-OE1 3.38Å; N576-Q600 VanDerWaalsContact OD1-CB 3.23Å; N576-Q600 WeakPolarHBondContact OD1-CB 3.48Å; N576-Q600 VanDerWaalsContact OD1-CG 3.31Å; N576-Q600 WeakPolarHBondContact OD1-CG 3.26Å; N576-Q600 PolarHBondContact OD1-N 2.97Å
577L98.5Very high98.5Very high57 Ų5740.4 Ų40.430%0.29820%0.201SC..  trans-60.6154.9-179.8-58.9-171.8000111.9A572 L575 M582 R598 I599A572-L577 HydrophobicContact CB-CD1 3.86Å; A572-L577 HydrophobicContact CB-CG 4.4Å; A572-L577 PolarHBondContact O-N 2.79Å; L575-L577 HydrophobicContact CB-CD2 3.95Å; L575-L577 HydrophobicContact CB-CG 4.29Å; L575-L577 PolarHBondContact O-N 3.38Å; L577-M582 HydrophobicContact CB-CB 4.17Å; L577-R598 WeakPolarHBondContact O-CA 3.36Å; L577-I599 PolarHBondContact O-N 2.84Å
578R98.5Very high98.4Very high65 Ų6546.3 Ų46.325%0.24522%0.219CC..BIsolated β-bridgetrans-63.8142.9172-7017770-170.54.7110K580 N581 M582 E595 R598R578-K580 HydrophobicContact CB-CB 4.38Å; R578-K580 PolarHBondContact O-N 2.85Å; R578-N581 PolarHBondContact O-N 3.05Å; R578-M582 PolarHBondContact O-N 3.09Å; R578-E595 IonicContact CZ-OE1 2.79Å; R578-E595 PolarHBondContact NE-O 3.25Å; R578-E595 PolarHBondContact NH2-O 3.29Å; R578-E595 IonicContact NH2-OE1 3.84Å; R578-E595 PolarHBondContact NH2-OE1 2.83Å; R578-R598 HydrophobicContact CG-CG 4.34Å
579V98.6Very high98.4Very high0 Ų051.2 Ų51.20%024%0.241CC..Hα-helixtrans-53.3-44.3173.9174.10000110N581 M582 L583 L586 Y594 M597 L602V579-N581 PolarHBondContact O-N 3.3Å; V579-M582 PolarHBondContact O-N 3.42Å; V579-L583 HydrophobicContact CG1-CB 4.24Å; V579-L583 CarbonylContact O-C 3.3Å; V579-L583 WeakPolarHBondContact O-CA 3.32Å; V579-L583 PolarHBondContact O-N 2.89Å; V579-L586 HydrophobicContact CG1-CD2 4.01Å; V579-L586 HydrophobicContact CG1-CG 4.36Å; V579-Y594 HydrophobicContact CB-CD1 4.4Å; V579-Y594 HydrophobicContact CG1-CD1 3.9Å; V579-Y594 HydrophobicContact CG1-CG 4.07Å; V579-Y594 HydrophobicContact CG2-CD1 4.41Å; V579-M597 HydrophobicContact CG2-CB 4.14Å; V579-M597 HydrophobicContact CG2-CG 4.12Å; V579-M597 WeakPolarHBondContact CG2-O 3.45Å; V579-M597 PolarHBondContact N-O 2.74Å; V579-L602 HydrophobicContact CG2-CB 4.39Å; V579-L602 HydrophobicContact CG2-CD2 4.06Å
580K98.4Very high98.3Very high63 Ų6353.7 Ų53.727%0.27425%0.254SS..Hα-helixtrans-46.2-37.1172.1-174.1170.5-172.81510115.6R578 Y587 E595R578-K580 HydrophobicContact CB-CB 4.38Å; R578-K580 PolarHBondContact O-N 2.85Å; K580-Y587 HydrophobicContact CB-CD2 3.83Å; K580-Y587 HydrophobicContact CB-CE2 4.16Å; K580-Y587 HydrophobicContact CB-CG 4.02Å; K580-Y587 HydrophobicContact CD-CD2 4.4Å; K580-Y587 HydrophobicContact CD-CE1 4.19Å; K580-Y587 HydrophobicContact CD-CE2 3.91Å; K580-Y587 HydrophobicContact CG-CD1 3.99Å; K580-Y587 HydrophobicContact CG-CD2 4.02Å; K580-Y587 HydrophobicContact CG-CE1 3.97Å; K580-Y587 HydrophobicContact CG-CE2 4.01Å; K580-Y587 HydrophobicContact CG-CG 4.01Å; K580-Y587 PolarHBondContact NZ-OH 3.32Å; K580-E595 IonicContact NZ-OE1 3.36Å; K580-E595 PolarHBondContact NZ-OE1 3.11Å; K580-E595 IonicContact NZ-OE2 3.62Å; K580-E595 PolarHBondContact NZ-OE2 3.14Å
581N98.1Very high98.3Very high109 Ų10955.9 Ų55.958%0.58327%0.27SS*.Hα-helixtrans-95.8-29.1-175.8-63.1-11.6000112.7R578 V579R578-N581 PolarHBondContact O-N 3.05Å; V579-N581 PolarHBondContact O-N 3.3Å
582M98.3Very high98.2Very high9 Ų958.2 Ų58.24%0.04429%0.286CS..Hα-helixtrans-95.8-34.8-175-177.2169.3171.100113.1Y530 F569 A572 L577 R578 V579 I599Y530-M582 HydrophobicContact CD2-CE 3.53Å; Y530-M582 HydrophobicContact CD2-CG 3.9Å; Y530-M582 HydrophobicContact CE2-CE 3.79Å; Y530-M582 HydrophobicContact CE2-CG 4.02Å; Y530-M582 HydrophobicContact CG-CE 4.26Å; F569-M582 HydrophobicContact CD2-CE 3.46Å; F569-M582 VanDerWaalsContact CD2-CE 3.46Å; F569-M582 HydrophobicContact CE2-CE 3.55Å; F569-M582 HydrophobicContact CG-CE 4.36Å; F569-M582 HydrophobicContact CZ-CE 4.48Å; A572-M582 HydrophobicContact CB-CE 3.89Å; A572-M582 HydrophobicContact CB-CG 4.47Å; A572-M582 HydrophobicContact CB-SD 3.75Å; L577-M582 HydrophobicContact CB-CB 4.17Å; R578-M582 PolarHBondContact O-N 3.09Å; V579-M582 PolarHBondContact O-N 3.42Å; M582-I599 HydrophobicContact CE-CD1 4.21Å; M582-I599 HydrophobicContact CE-CG1 3.91Å; M582-I599 HydrophobicContact SD-CB 3.79Å; M582-I599 HydrophobicContact SD-CD1 3.94Å; M582-I599 HydrophobicContact SD-CG1 3.55Å; M582-I599 VanDerWaalsContact SD-CG1 3.55Å; M582-I599 HydrophobicContact SD-CG2 3.88Å
583L98.6Very high98.2Very high0 Ų061.9 Ų61.90%030%0.301CS..  trans-130.367.1-178.7-58.5177.2000109.3I526 K529 Y530 E533 V579 S585 L586 Y587 I599 L602I526-L583 HydrophobicContact CG2-CD1 4.42Å; K529-L583 HydrophobicContact CB-CD2 4.29Å; Y530-L583 HydrophobicContact CD2-CD2 4.24Å; E533-L583 HydrophobicContact CG-CD2 4.21Å; E533-L583 VanDerWaalsContact OE1-C 3.31Å; V579-L583 HydrophobicContact CG1-CB 4.24Å; V579-L583 CarbonylContact O-C 3.3Å; V579-L583 WeakPolarHBondContact O-CA 3.32Å; V579-L583 PolarHBondContact O-N 2.89Å; L583-S585 VanDerWaalsContact C-N 3.25Å; L583-S585 PolarHBondContact O-N 3.21Å; L583-L586 HydrophobicContact CB-CB 3.89Å; L583-L586 HydrophobicContact CB-CD2 4.37Å; L583-L586 HydrophobicContact CD1-CD2 3.77Å; L583-L586 PolarHBondContact O-N 3.16Å; L583-Y587 PolarHBondContact O-N 3.29Å; L583-I599 HydrophobicContact CD1-CD1 3.75Å; L583-I599 HydrophobicContact CG-CD1 4.36Å; L583-L602 HydrophobicContact CD1-CD2 4.32Å
584P98.2Very high98.2Very high45 Ų4561.6 Ų61.629%0.29230%0.3SS..Hα-helixtrans-64-25.8-175.127.2-36.6000113.7E533 R588E533-P584 WeakPolarHBondContact OE1-CD 3.44Å; E533-P584 WeakPolarHBondContact OE2-CG 3.23Å; P584-R588 WeakPolarHBondContact O-CG 3.11Å; P584-R588 PolarHBondContact O-N 3.41Å; P584-R588 PolarHBondContact O-NH1 2.85Å; P584-R588 VanDerWaalsContact O-NH1 3.09Å
585S98.1Very high98.2Very high31 Ų3161 Ų6122%0.21730%0.295CS..Hα-helixtrans-67.4-48.7171.667.80000111.7E533 L583 Y587 R588 E589E533-S585 WeakPolarHBondContact OE1-CA 3.5Å; E533-S585 WeakPolarHBondContact OE1-CB 3.34Å; E533-S585 PolarHBondContact OE1-N 2.94Å; E533-S585 PolarHBondContact OE1-OG 2.99Å; L583-S585 VanDerWaalsContact C-N 3.25Å; L583-S585 PolarHBondContact O-N 3.21Å; S585-Y587 VanDerWaalsContact C-N 3.29Å; S585-Y587 PolarHBondContact O-N 3.39Å; S585-R588 WeakPolarHBondContact O-CA 3.37Å; S585-R588 WeakPolarHBondContact O-CB 3.48Å; S585-R588 PolarHBondContact O-N 3.33Å; S585-E589 PolarHBondContact O-N 3.28Å
586L98.3Very high98.1Very high1 Ų162.3 Ų62.31%0.00530%0.303CS..Hα-helixtrans-59.8-40.6176.1-178.864.2000111.7K529 V579 L583 R588 E589 Y594 L602 P700 F702K529-L586 HydrophobicContact CD-CD1 4.07Å; K529-L586 HydrophobicContact CD-CD2 4.13Å; K529-L586 HydrophobicContact CD-CG 4.48Å; V579-L586 HydrophobicContact CG1-CD2 4.01Å; V579-L586 HydrophobicContact CG1-CG 4.36Å; L583-L586 HydrophobicContact CB-CB 3.89Å; L583-L586 HydrophobicContact CB-CD2 4.37Å; L583-L586 HydrophobicContact CD1-CD2 3.77Å; L583-L586 PolarHBondContact O-N 3.16Å; L586-R588 PolarHBondContact O-N 3.48Å; L586-E589 WeakPolarHBondContact O-CB 3.31Å; L586-E589 PolarHBondContact O-N 3.02Å; L586-Y594 HydrophobicContact CD1-CE2 3.86Å; L586-Y594 HydrophobicContact CD2-CE1 4.33Å; L586-Y594 HydrophobicContact CG-CD2 4.28Å; L586-Y594 HydrophobicContact CG-CE1 4.49Å; L586-Y594 HydrophobicContact CG-CE2 3.87Å; L586-Y594 WeakPolarHBondContact O-CD2 3.19Å; L586-L602 HydrophobicContact CD2-CD2 3.85Å; L586-P700 VanDerWaalsContact CD1-O 3.29Å; L586-P700 WeakPolarHBondContact CD1-O 3.47Å; L586-F702 HydrophobicContact CD1-CD2 4.44Å; L586-F702 HydrophobicContact CD1-CE2 3.91Å; L586-F702 HydrophobicContact CD2-CE2 3.76Å; L586-F702 HydrophobicContact CD2-CZ 4.13Å
587Y98.5Very high98.1Very high39 Ų3961.3 Ų61.315%0.15330%0.297CS..Hα-helixtrans-60.9-31.5173.6171.6-100.4000112.9K580 L583 S585 E589 D590 P591 E595K580-Y587 HydrophobicContact CB-CD2 3.83Å; K580-Y587 HydrophobicContact CB-CE2 4.16Å; K580-Y587 HydrophobicContact CB-CG 4.02Å; K580-Y587 HydrophobicContact CD-CD2 4.4Å; K580-Y587 HydrophobicContact CD-CE1 4.19Å; K580-Y587 HydrophobicContact CD-CE2 3.91Å; K580-Y587 HydrophobicContact CG-CD1 3.99Å; K580-Y587 HydrophobicContact CG-CD2 4.02Å; K580-Y587 HydrophobicContact CG-CE1 3.97Å; K580-Y587 HydrophobicContact CG-CE2 4.01Å; K580-Y587 HydrophobicContact CG-CG 4.01Å; K580-Y587 PolarHBondContact NZ-OH 3.32Å; L583-Y587 PolarHBondContact O-N 3.29Å; S585-Y587 VanDerWaalsContact C-N 3.29Å; S585-Y587 PolarHBondContact O-N 3.39Å; Y587-E589 VanDerWaalsContact C-N 3.34Å; Y587-D590 CarbonylContact O-C 3.34Å; Y587-P591 HydrophobicContact CE1-CB 4.24Å; Y587-P591 HydrophobicContact CE2-CB 4Å; Y587-P591 WeakPolarHBondContact CE2-O 3.43Å; Y587-P591 WeakPolarHBondContact O-CA 3.35Å; Y587-P591 WeakPolarHBondContact O-CD 3.47Å; Y587-P591 WeakPolarHBondContact O-CG 3.31Å; Y587-P591 VanDerWaalsContact O-N 3.09Å; Y587-E595 WeakPolarHBondContact CE2-OE2 3.29Å; Y587-E595 PolarHBondContact OH-OE2 2.83Å
588R98.1Very high98.1Very high161 Ų16164 Ų6461%0.60830%0.303SS*.Hα-helixtrans-75.4-20.5177.4-74.3-175-57.7-91.66.9113.6P584 S585 L586P584-R588 WeakPolarHBondContact O-CG 3.11Å; P584-R588 PolarHBondContact O-N 3.41Å; P584-R588 PolarHBondContact O-NH1 2.85Å; P584-R588 VanDerWaalsContact O-NH1 3.09Å; S585-R588 WeakPolarHBondContact O-CA 3.37Å; S585-R588 WeakPolarHBondContact O-CB 3.48Å; S585-R588 PolarHBondContact O-N 3.33Å; L586-R588 PolarHBondContact O-N 3.48Å
589E97.2Very high98.2Very high131 Ų13160.9 Ų60.961%0.61229%0.291SS*.Hα-helixtrans-64.6-45.5174.5-65.5-62.8148.800110.9S585 L586 Y587S585-E589 PolarHBondContact O-N 3.28Å; L586-E589 WeakPolarHBondContact O-CB 3.31Å; L586-E589 PolarHBondContact O-N 3.02Å; Y587-E589 VanDerWaalsContact C-N 3.34Å
590D97.6Very high98.2Very high53 Ų5363.2 Ų63.228%0.28330%0.302SS..  trans-147.189.5173.8-167-25.9000111Y587 E592 F593 Y594 P700Y587-D590 CarbonylContact O-C 3.34Å; D590-E592 VanDerWaalsContact C-N 3.28Å; D590-E592 PolarHBondContact O-N 2.99Å; D590-E592 PolarHBondContact OD1-N 3.19Å; D590-F593 HydrophobicContact CB-CB 3.85Å; D590-F593 PolarHBondContact O-N 3.39Å; D590-F593 WeakPolarHBondContact OD1-CB 3.14Å; D590-F593 PolarHBondContact OD1-N 3.35Å; D590-F593 WeakPolarHBondContact OD2-CB 3.29Å; D590-Y594 HydrophobicContact CB-CD2 4.43Å; D590-Y594 WeakPolarHBondContact O-CD2 3.42Å; D590-Y594 PolarHBondContact O-N 2.87Å; D590-Y594 VanDerWaalsContact O-N 3.1Å; D590-P700 HydrophobicContact CB-CB 3.93Å; D590-P700 HydrophobicContact CB-CG 3.85Å
591P97.8Very high98.2Very high58 Ų5864.3 Ų64.338%0.37731%0.308SS..Hα-helixtrans-61.7-33.4-177.4-26.234.9000113.9Y587 E595Y587-P591 HydrophobicContact CE1-CB 4.24Å; Y587-P591 HydrophobicContact CE2-CB 4Å; Y587-P591 WeakPolarHBondContact CE2-O 3.43Å; Y587-P591 WeakPolarHBondContact O-CA 3.35Å; Y587-P591 WeakPolarHBondContact O-CD 3.47Å; Y587-P591 WeakPolarHBondContact O-CG 3.31Å; Y587-P591 VanDerWaalsContact O-N 3.09Å; P591-E595 WeakPolarHBondContact O-CA 3.48Å; P591-E595 WeakPolarHBondContact O-CB 3.15Å; P591-E595 PolarHBondContact O-N 2.82Å
592E97.6Very high98.2Very high177 Ų17759.1 Ų59.183%0.82728%0.281SS*.Hα-helixtrans-71.7-44.9-178.5-173.2174.8175.300110.3D590 Y594D590-E592 VanDerWaalsContact C-N 3.28Å; D590-E592 PolarHBondContact O-N 2.99Å; D590-E592 PolarHBondContact OD1-N 3.19Å; E592-Y594 PolarHBondContact O-N 3.09Å
593F97.9Very high98.2Very high80 Ų8058.7 Ų58.735%0.35128%0.279SS..Hα-helixtrans-62.6-42.3177.5-169.7-84000112.4D590 M597 Y699 P700D590-F593 HydrophobicContact CB-CB 3.85Å; D590-F593 PolarHBondContact O-N 3.39Å; D590-F593 WeakPolarHBondContact OD1-CB 3.14Å; D590-F593 PolarHBondContact OD1-N 3.35Å; D590-F593 WeakPolarHBondContact OD2-CB 3.29Å; F593-M597 HydrophobicContact CD1-CE 4.33Å; F593-M597 HydrophobicContact CE1-CE 3.79Å; F593-M597 HydrophobicContact CZ-CE 4.49Å; F593-Y699 AromaticContact CE1-CD1 3.62Å; F593-Y699 HydrophobicContact CE1-CD1 3.62Å; F593-Y699 AromaticContact CE1-CE1 3.91Å; F593-Y699 HydrophobicContact CE1-CE1 3.91Å; F593-Y699 AromaticContact CZ-CD1 3.85Å; F593-Y699 HydrophobicContact CZ-CD1 3.85Å; F593-Y699 AromaticContact CZ-CE1 3.97Å; F593-Y699 HydrophobicContact CZ-CE1 3.97Å; F593-P700 HydrophobicContact CD1-CG 4.43Å; F593-P700 HydrophobicContact CD2-CG 4.48Å; F593-P700 HydrophobicContact CG-CG 4.26Å
594Y98.4Very high98.2Very high0 Ų063 Ų630%030%0.299CS..Hα-helixtrans-95.52.8-174.2-70-62.4000115.5V579 L586 D590 E592 N596 M597 L602 P700V579-Y594 HydrophobicContact CB-CD1 4.4Å; V579-Y594 HydrophobicContact CG1-CD1 3.9Å; V579-Y594 HydrophobicContact CG1-CG 4.07Å; V579-Y594 HydrophobicContact CG2-CD1 4.41Å; L586-Y594 HydrophobicContact CD1-CE2 3.86Å; L586-Y594 HydrophobicContact CD2-CE1 4.33Å; L586-Y594 HydrophobicContact CG-CD2 4.28Å; L586-Y594 HydrophobicContact CG-CE1 4.49Å; L586-Y594 HydrophobicContact CG-CE2 3.87Å; L586-Y594 WeakPolarHBondContact O-CD2 3.19Å; D590-Y594 HydrophobicContact CB-CD2 4.43Å; D590-Y594 WeakPolarHBondContact O-CD2 3.42Å; D590-Y594 PolarHBondContact O-N 2.87Å; D590-Y594 VanDerWaalsContact O-N 3.1Å; E592-Y594 PolarHBondContact O-N 3.09Å; Y594-N596 PolarHBondContact O-N 2.93Å; Y594-M597 HydrophobicContact CD1-CB 4.41Å; Y594-M597 HydrophobicContact CD1-SD 3.86Å; Y594-M597 HydrophobicContact CE1-SD 3.86Å; Y594-L602 HydrophobicContact CE1-CD1 4.1Å; Y594-P700 HydrophobicContact CE2-CB 4.13Å; Y594-P700 HydrophobicContact CE2-CG 4.42Å; Y594-P700 PolarHBondContact OH-O 3.3Å
595E97.9Very high98.2Very high57 Ų5762.7 Ų62.727%0.26630%0.295SS..SBendtrans-54.1-53.9-172.7-176.159.2-143.700111.6R578 K580 Y587 P591R578-E595 IonicContact CZ-OE1 2.79Å; R578-E595 PolarHBondContact NE-O 3.25Å; R578-E595 PolarHBondContact NH2-O 3.29Å; R578-E595 IonicContact NH2-OE1 3.84Å; R578-E595 PolarHBondContact NH2-OE1 2.83Å; K580-E595 IonicContact NZ-OE1 3.36Å; K580-E595 PolarHBondContact NZ-OE1 3.11Å; K580-E595 IonicContact NZ-OE2 3.62Å; K580-E595 PolarHBondContact NZ-OE2 3.14Å; Y587-E595 WeakPolarHBondContact CE2-OE2 3.29Å; Y587-E595 PolarHBondContact OH-OE2 2.83Å; P591-E595 WeakPolarHBondContact O-CA 3.48Å; P591-E595 WeakPolarHBondContact O-CB 3.15Å; P591-E595 PolarHBondContact O-N 2.82Å
596N97.9Very high98.2Very high131 Ų13161.8 Ų61.870%0.70129%0.287SS*.SBendtrans-101-8.4-173.3-64.3-52.3000114.4Y594Y594-N596 PolarHBondContact O-N 2.93Å
597M98.3Very high98.3Very high20 Ų2062.1 Ų62.110%0.09929%0.289CS..  trans-65.4138.7-177.5-167.1173.2-67.200111.3V579 F593 Y594 E601 L602 Y699V579-M597 HydrophobicContact CG2-CB 4.14Å; V579-M597 HydrophobicContact CG2-CG 4.12Å; V579-M597 WeakPolarHBondContact CG2-O 3.45Å; V579-M597 PolarHBondContact N-O 2.74Å; F593-M597 HydrophobicContact CD1-CE 4.33Å; F593-M597 HydrophobicContact CE1-CE 3.79Å; F593-M597 HydrophobicContact CZ-CE 4.49Å; Y594-M597 HydrophobicContact CD1-CB 4.41Å; Y594-M597 HydrophobicContact CD1-SD 3.86Å; Y594-M597 HydrophobicContact CE1-SD 3.86Å; M597-E601 HydrophobicContact CG-CB 4.43Å; M597-E601 HydrophobicContact CG-CG 4.33Å; M597-L602 HydrophobicContact CG-CB 4.36Å; M597-L602 HydrophobicContact SD-CB 3.92Å; M597-L602 HydrophobicContact SD-CD1 3.81Å; M597-L602 HydrophobicContact SD-CG 4.41Å; M597-Y699 HydrophobicContact CE-CE1 4.06Å; M597-Y699 HydrophobicContact SD-CE1 4.31Å
598R98.7Very high98.2Very high113 Ų11366.5 Ų66.543%0.42631%0.309SS..BIsolated β-bridgetrans-106.6160.3173.1-63.9180171.4-98.23.2111.4N576 L577 R578 Q600 E601 L602N576-R598 WeakPolarHBondContact O-CD 3.42Å; N576-R598 PolarHBondContact O-NH1 3.4Å; N576-R598 WeakPolarHBondContact OD1-CB 3.37Å; L577-R598 WeakPolarHBondContact O-CA 3.36Å; R578-R598 HydrophobicContact CG-CG 4.34Å; R598-Q600 VanDerWaalsContact C-N 3.34Å; R598-Q600 PolarHBondContact O-N 3.43Å; R598-E601 WeakPolarHBondContact O-CB 3.47Å; R598-E601 PolarHBondContact O-N 3.09Å; R598-L602 PolarHBondContact O-N 3.4Å
599I98.7Very high98.2Very high0 Ų060.1 Ų60.10%029%0.286CS..Hα-helixtrans-62.7-36.2-172.3-167.869.9000113.5I526 F573 L577 M582 L583 L602 A603I526-I599 HydrophobicContact CG2-CD1 3.69Å; F573-I599 HydrophobicContact CD2-CG1 3.91Å; F573-I599 HydrophobicContact CD2-CG2 4.17Å; F573-I599 HydrophobicContact CE2-CG1 4.43Å; L577-I599 PolarHBondContact O-N 2.84Å; M582-I599 HydrophobicContact CE-CD1 4.21Å; M582-I599 HydrophobicContact CE-CG1 3.91Å; M582-I599 HydrophobicContact SD-CB 3.79Å; M582-I599 HydrophobicContact SD-CD1 3.94Å; M582-I599 HydrophobicContact SD-CG1 3.55Å; M582-I599 VanDerWaalsContact SD-CG1 3.55Å; M582-I599 HydrophobicContact SD-CG2 3.88Å; L583-I599 HydrophobicContact CD1-CD1 3.75Å; L583-I599 HydrophobicContact CG-CD1 4.36Å; I599-L602 HydrophobicContact CD1-CD2 4.37Å; I599-L602 PolarHBondContact O-N 3.47Å; I599-A603 PolarHBondContact O-N 3.37Å
600Q98.7Very high98.3Very high49 Ų4954.3 Ų54.323%0.22926%0.259CS..Hα-helixtrans-70.6-36.4177.7-65.6177.9-8.400111.7F573 N576 R598 A603 Q604F573-Q600 HydrophobicContact CD1-CG 4.34Å; F573-Q600 HydrophobicContact CE1-CG 3.99Å; F573-Q600 HydrophobicContact CE2-CG 4.18Å; F573-Q600 HydrophobicContact CZ-CB 4.42Å; F573-Q600 HydrophobicContact CZ-CG 3.91Å; F573-Q600 WeakPolarHBondContact O-CG 3.24Å; F573-Q600 PolarHBondContact O-NE2 3.35Å; N576-Q600 HydrophobicContact CB-CG 3.99Å; N576-Q600 VanDerWaalsContact CG-CD 3.5Å; N576-Q600 PolarHBondContact ND2-OE1 3.38Å; N576-Q600 VanDerWaalsContact OD1-CB 3.23Å; N576-Q600 WeakPolarHBondContact OD1-CB 3.48Å; N576-Q600 VanDerWaalsContact OD1-CG 3.31Å; N576-Q600 WeakPolarHBondContact OD1-CG 3.26Å; N576-Q600 PolarHBondContact OD1-N 2.97Å; R598-Q600 VanDerWaalsContact C-N 3.34Å; R598-Q600 PolarHBondContact O-N 3.43Å; Q600-A603 PolarHBondContact O-N 3.24Å; Q600-Q604 VanDerWaalsContact O-CB 3.3Å; Q600-Q604 WeakPolarHBondContact O-CB 3.42Å; Q600-Q604 WeakPolarHBondContact O-CG 3.42Å; Q600-Q604 PolarHBondContact O-N 3.31Å
601E98.7Very high98.3Very high86 Ų8654.7 Ų54.740%0.40226%0.264SS..Hα-helixtrans-63.6-45.9174.7-179.9-175.6179.200110.8M597 R598 A603 Q604 N605M597-E601 HydrophobicContact CG-CB 4.43Å; M597-E601 HydrophobicContact CG-CG 4.33Å; R598-E601 WeakPolarHBondContact O-CB 3.47Å; R598-E601 PolarHBondContact O-N 3.09Å; E601-A603 PolarHBondContact O-N 3.39Å; E601-Q604 PolarHBondContact O-N 2.83Å; E601-N605 WeakPolarHBondContact O-CB 3.45Å; E601-N605 PolarHBondContact O-N 3.02Å; E601-N605 PolarHBondContact O-ND2 2.96Å
602L98.6Very high98.3Very high0 Ų058.9 Ų58.90%028%0.278CS..Hα-helixtrans-56.8-48.8174.9179.760.8000111.5I526 V579 L583 L586 Y594 M597 R598 I599 N605 I606 Y699 F702I526-L602 HydrophobicContact CD1-CG 4.15Å; V579-L602 HydrophobicContact CG2-CB 4.39Å; V579-L602 HydrophobicContact CG2-CD2 4.06Å; L583-L602 HydrophobicContact CD1-CD2 4.32Å; L586-L602 HydrophobicContact CD2-CD2 3.85Å; Y594-L602 HydrophobicContact CE1-CD1 4.1Å; M597-L602 HydrophobicContact CG-CB 4.36Å; M597-L602 HydrophobicContact SD-CB 3.92Å; M597-L602 HydrophobicContact SD-CD1 3.81Å; M597-L602 HydrophobicContact SD-CG 4.41Å; R598-L602 PolarHBondContact O-N 3.4Å; I599-L602 HydrophobicContact CD1-CD2 4.37Å; I599-L602 PolarHBondContact O-N 3.47Å; L602-N605 PolarHBondContact O-N 2.99Å; L602-I606 HydrophobicContact CD1-CD1 3.64Å; L602-I606 HydrophobicContact CD1-CG1 4.2Å; L602-I606 HydrophobicContact CG-CD1 4.1Å; L602-I606 WeakPolarHBondContact O-CG1 3.29Å; L602-I606 PolarHBondContact O-N 3Å; L602-I606 VanDerWaalsContact O-N 3.07Å; L602-Y699 HydrophobicContact CD1-CD1 3.81Å; L602-Y699 HydrophobicContact CD1-CE1 4.06Å; L602-F702 HydrophobicContact CD1-CE2 4.32Å; L602-F702 HydrophobicContact CD2-CE2 4.45Å; L602-F702 HydrophobicContact CD2-CZ 4.37Å
603A98.7Very high98.3Very high1 Ų151.8 Ų51.81%0.00825%0.245CC..Hα-helixtrans-63.3-45.7178.600000112.9I526 F573 I599 Q600 E601 N605 H607I526-A603 HydrophobicContact CD1-CB 3.71Å; F573-A603 HydrophobicContact CE2-CB 3.59Å; F573-A603 HydrophobicContact CZ-CB 4.01Å; I599-A603 PolarHBondContact O-N 3.37Å; Q600-A603 PolarHBondContact O-N 3.24Å; E601-A603 PolarHBondContact O-N 3.39Å; A603-N605 VanDerWaalsContact C-N 3.34Å; A603-N605 PolarHBondContact O-N 3.09Å; A603-H607 WeakPolarHBondContact O-CB 3.47Å; A603-H607 PolarHBondContact O-N 2.89Å
604Q98.5Very high98.2Very high90 Ų9051.5 Ų51.542%0.42125%0.247SC..Hα-helixtrans-61.2-42.3177.8-74.8168.414.300111.8Q600 E601 K608Q600-Q604 VanDerWaalsContact O-CB 3.3Å; Q600-Q604 WeakPolarHBondContact O-CB 3.42Å; Q600-Q604 WeakPolarHBondContact O-CG 3.42Å; Q600-Q604 PolarHBondContact O-N 3.31Å; E601-Q604 PolarHBondContact O-N 2.83Å; Q604-K608 WeakPolarHBondContact O-CB 3.22Å; Q604-K608 VanDerWaalsContact O-CG 3.22Å; Q604-K608 WeakPolarHBondContact O-CG 3.4Å; Q604-K608 PolarHBondContact O-N 3.4Å
605N98.4Very high98.2Very high38 Ų3851.9 Ų51.920%0.20325%0.249CC..Hα-helixtrans-72.4-43.7-176.9-66.1-16.5000112.3E601 L602 A603 H607 K608 L609 Y699E601-N605 WeakPolarHBondContact O-CB 3.45Å; E601-N605 PolarHBondContact O-N 3.02Å; E601-N605 PolarHBondContact O-ND2 2.96Å; L602-N605 PolarHBondContact O-N 2.99Å; A603-N605 VanDerWaalsContact C-N 3.34Å; A603-N605 PolarHBondContact O-N 3.09Å; N605-H607 VanDerWaalsContact C-N 3.33Å; N605-H607 PolarHBondContact O-N 2.94Å; N605-K608 PolarHBondContact O-N 2.89Å; N605-L609 PolarHBondContact O-N 3.41Å; N605-Y699 HydrophobicContact CB-CE2 4.37Å; N605-Y699 WeakPolarHBondContact CB-OH 3.49Å; N605-Y699 PolarHBondContact ND2-OH 2.92Å
606I98.5Very high98.2Very high13 Ų1349.6 Ų49.67%0.06724%0.239CC..Hα-helixtrans-64.5-41.3175.6-63.8175.2000110P523 I526 L602 K608 L609 I610 Y699 F702P523-I606 HydrophobicContact CB-CG2 3.84Å; P523-I606 HydrophobicContact CG-CB 3.92Å; P523-I606 HydrophobicContact CG-CG2 3.56Å; I526-I606 HydrophobicContact CD1-CD1 4.15Å; I526-I606 HydrophobicContact CG1-CD1 4.24Å; L602-I606 HydrophobicContact CD1-CD1 3.64Å; L602-I606 HydrophobicContact CD1-CG1 4.2Å; L602-I606 HydrophobicContact CG-CD1 4.1Å; L602-I606 WeakPolarHBondContact O-CG1 3.29Å; L602-I606 PolarHBondContact O-N 3Å; L602-I606 VanDerWaalsContact O-N 3.07Å; I606-K608 PolarHBondContact O-N 3.24Å; I606-L609 WeakPolarHBondContact O-CB 3.18Å; I606-L609 PolarHBondContact O-N 3.11Å; I606-I610 HydrophobicContact CG2-CD1 4.21Å; I606-I610 WeakPolarHBondContact O-CG1 3.48Å; I606-I610 PolarHBondContact O-N 2.88Å; I606-Y699 HydrophobicContact CD1-CG 4.49Å; I606-Y699 HydrophobicContact CG1-CD2 3.94Å; I606-Y699 HydrophobicContact CG1-CE2 4.17Å; I606-Y699 HydrophobicContact CG1-CG 4.22Å; I606-F702 HydrophobicContact CD1-CD1 3.92Å; I606-F702 HydrophobicContact CD1-CD2 4.09Å; I606-F702 HydrophobicContact CD1-CE1 3.76Å; I606-F702 HydrophobicContact CD1-CE2 3.93Å; I606-F702 HydrophobicContact CD1-CG 4.07Å; I606-F702 HydrophobicContact CD1-CZ 3.75Å
607H98.5Very high98.1Very high8 Ų846.4 Ų46.44%0.03722%0.222CC..Hα-helixtrans-59.7-45.9174.4178.366.5000112S518 P523 Y544 A603 N605 L609 I610 V611S518-H607 PolarHBondContact O-CE1 3.06Å; S518-H607 PolarHBondContact O-NE2 2.87Å; P523-H607 HydrophobicContact CG-CB 4.19Å; Y544-H607 AromaticContact CE1-ND1 3.93Å; Y544-H607 AromaticContact CZ-ND1 3.66Å; Y544-H607 PolarHBondContact OH-ND1 3.42Å; A603-H607 WeakPolarHBondContact O-CB 3.47Å; A603-H607 PolarHBondContact O-N 2.89Å; N605-H607 VanDerWaalsContact C-N 3.33Å; N605-H607 PolarHBondContact O-N 2.94Å; H607-L609 VanDerWaalsContact C-N 3.3Å; H607-L609 PolarHBondContact O-N 2.89Å; H607-I610 WeakPolarHBondContact O-CB 3.39Å; H607-I610 PolarHBondContact O-N 2.62Å; H607-I610 VanDerWaalsContact O-N 3.12Å; H607-V611 WeakPolarHBondContact O-CG2 3.49Å; H607-V611 PolarHBondContact O-N 2.85Å
608K98.2Very high98.1Very high131 Ų13146.4 Ų46.457%0.5722%0.222SC*.Hα-helixtrans-59.7-38.1175.2-79172.6-177.9173.40112.6Q604 N605 I606 V611 H612Q604-K608 WeakPolarHBondContact O-CB 3.22Å; Q604-K608 VanDerWaalsContact O-CG 3.22Å; Q604-K608 WeakPolarHBondContact O-CG 3.4Å; Q604-K608 PolarHBondContact O-N 3.4Å; N605-K608 PolarHBondContact O-N 2.89Å; I606-K608 PolarHBondContact O-N 3.24Å; K608-V611 PolarHBondContact O-N 3.35Å; K608-H612 WeakPolarHBondContact O-CB 3.36Å; K608-H612 PolarHBondContact O-N 2.91Å
609L98Very high98Very high26 Ų2641.1 Ų41.114%0.13620%0.202CC..Hα-helixtrans-63-46173.3-75.8-179.7000111.5N605 I606 H607 V611 H612 H613 I695 H698 Y699N605-L609 PolarHBondContact O-N 3.41Å; I606-L609 WeakPolarHBondContact O-CB 3.18Å; I606-L609 PolarHBondContact O-N 3.11Å; H607-L609 VanDerWaalsContact C-N 3.3Å; H607-L609 PolarHBondContact O-N 2.89Å; L609-V611 VanDerWaalsContact C-N 3.3Å; L609-V611 PolarHBondContact O-N 3.43Å; L609-H612 PolarHBondContact O-N 3.22Å; L609-H613 WeakPolarHBondContact O-CB 3.34Å; L609-H613 PolarHBondContact O-CD2 3.24Å; L609-H613 VanDerWaalsContact O-CD2 3.28Å; L609-H613 PolarHBondContact O-N 3.06Å; L609-I695 HydrophobicContact CB-CD1 4.2Å; L609-I695 HydrophobicContact CB-CG1 4Å; L609-I695 HydrophobicContact CD1-CG1 4.45Å; L609-H698 HydrophobicContact CD1-CB 3.66Å; L609-Y699 HydrophobicContact CD1-CD2 3.91Å; L609-Y699 HydrophobicContact CD1-CE2 3.6Å
610I98.3Very high97.9Very high9 Ų944.5 Ų44.55%0.04622%0.216CC..Hα-helixtrans-58.4-42.9177-67.9170.6000111.1M517 P523 Y544 I606 H607 N614 L615 I695M517-I610 HydrophobicContact CE-CG2 3.89Å; P523-I610 HydrophobicContact CB-CD1 4.09Å; P523-I610 HydrophobicContact CG-CD1 3.96Å; Y544-I610 HydrophobicContact CE2-CD1 4.46Å; Y544-I610 HydrophobicContact CE2-CG2 3.95Å; Y544-I610 WeakPolarHBondContact OH-CG2 3.42Å; I606-I610 HydrophobicContact CG2-CD1 4.21Å; I606-I610 WeakPolarHBondContact O-CG1 3.48Å; I606-I610 PolarHBondContact O-N 2.88Å; H607-I610 WeakPolarHBondContact O-CB 3.39Å; H607-I610 PolarHBondContact O-N 2.62Å; H607-I610 VanDerWaalsContact O-N 3.12Å; I610-N614 PolarHBondContact O-N 3.33Å; I610-N614 VanDerWaalsContact O-N 3.15Å; I610-L615 HydrophobicContact CG1-CD1 4.47Å; I610-L615 HydrophobicContact CG2-CB 4.14Å; I610-L615 PolarHBondContact O-N 3.39Å; I610-L615 VanDerWaalsContact O-N 3.12Å; I610-I695 HydrophobicContact CG1-CD1 3.92Å
611V98Very high97.9Very high61 Ų6146.2 Ų46.237%0.3722%0.22SC..Hα-helixtrans-67.7-48176.7175.50000111.3M517 H607 K608 L609 H613 N614M517-V611 HydrophobicContact CB-CG2 3.98Å; M517-V611 HydrophobicContact CE-CG2 3.54Å; M517-V611 HydrophobicContact CG-CG2 4.1Å; H607-V611 WeakPolarHBondContact O-CG2 3.49Å; H607-V611 PolarHBondContact O-N 2.85Å; K608-V611 PolarHBondContact O-N 3.35Å; L609-V611 VanDerWaalsContact C-N 3.3Å; L609-V611 PolarHBondContact O-N 3.43Å; V611-H613 PolarHBondContact O-N 3.43Å; V611-N614 PolarHBondContact O-N 3.33Å; V611-N614 VanDerWaalsContact O-N 3.09Å
612H97.7Very high97.8Very high146 Ų14642.1 Ų42.168%0.67620%0.201SC*.Hα-helixtrans-59.5-46.5-178.3175.465.3000112.1K608 L609 N614K608-H612 WeakPolarHBondContact O-CB 3.36Å; K608-H612 PolarHBondContact O-N 2.91Å; L609-H612 PolarHBondContact O-N 3.22Å; H612-N614 VanDerWaalsContact C-N 3.25Å; H612-N614 PolarHBondContact O-N 2.97Å
613H97.4Very high97.8Very high29 Ų2943.6 Ų43.613%0.13421%0.207CC..THydrogen-bonded Turntrans-81-3.2178.4-73.6-79.1000113.3L609 V611 L615 L618 M691 E694L609-H613 WeakPolarHBondContact O-CB 3.34Å; L609-H613 PolarHBondContact O-CD2 3.24Å; L609-H613 VanDerWaalsContact O-CD2 3.28Å; L609-H613 PolarHBondContact O-N 3.06Å; V611-H613 PolarHBondContact O-N 3.43Å; H613-L615 VanDerWaalsContact C-N 3.27Å; H613-L615 PolarHBondContact O-N 3.39Å; H613-L618 VanDerWaalsContact O-CD1 3.23Å; H613-L618 WeakPolarHBondContact O-CD1 3.45Å; H613-M691 HydrophobicContact CB-CG 3.63Å; H613-M691 HydrophobicContact CB-SD 3.97Å; H613-E694 IonicContact CE1-OE2 3.38Å; H613-E694 PolarHBondContact CE1-OE2 3.18Å; H613-E694 IonicContact ND1-OE2 3.72Å
614N96.9Very high97.6Very high73 Ų7348.3 Ų48.339%0.3923%0.229SC..THydrogen-bonded Turntrans50.644.8-178.8-163.816.2000113.3I610 V611 H612 D617 L618I610-N614 PolarHBondContact O-N 3.33Å; I610-N614 VanDerWaalsContact O-N 3.15Å; V611-N614 PolarHBondContact O-N 3.33Å; V611-N614 VanDerWaalsContact O-N 3.09Å; H612-N614 VanDerWaalsContact C-N 3.25Å; H612-N614 PolarHBondContact O-N 2.97Å; N614-D617 WeakPolarHBondContact ND2-CB 3.39Å; N614-D617 PolarHBondContact O-N 2.64Å; N614-D617 WeakPolarHBondContact OD1-CB 3.43Å; N614-L618 PolarHBondContact O-N 3.39Å; N614-L618 VanDerWaalsContact O-N 3.15Å
615L97.9Very high97.5Very high9 Ų946.1 Ų46.15%0.04722%0.222CC..Hα-helixtrans-54.3-45.5-171.3174.6162000113.5P543 I610 H613 D617 L618 M619 M691 L692 I695P543-L615 HydrophobicContact CB-CD2 4.27Å; P543-L615 HydrophobicContact CG-CD2 3.6Å; I610-L615 HydrophobicContact CG1-CD1 4.47Å; I610-L615 HydrophobicContact CG2-CB 4.14Å; I610-L615 PolarHBondContact O-N 3.39Å; I610-L615 VanDerWaalsContact O-N 3.12Å; H613-L615 VanDerWaalsContact C-N 3.27Å; H613-L615 PolarHBondContact O-N 3.39Å; L615-D617 PolarHBondContact O-N 2.86Å; L615-L618 PolarHBondContact O-N 3.17Å; L615-M619 HydrophobicContact CD2-CE 4.3Å; L615-M619 VanDerWaalsContact O-CB 3.25Å; L615-M619 WeakPolarHBondContact O-CB 3.25Å; L615-M619 PolarHBondContact O-N 3.46Å; L615-M691 HydrophobicContact CB-CE 3.9Å; L615-M691 HydrophobicContact CB-SD 4.01Å; L615-M691 HydrophobicContact CD1-CE 4.2Å; L615-M691 HydrophobicContact CD1-SD 4.21Å; L615-M691 HydrophobicContact CG-CE 3.72Å; L615-M691 HydrophobicContact CG-SD 4.19Å; L615-L692 HydrophobicContact CD1-CD2 4.37Å; L615-I695 HydrophobicContact CD1-CD1 4.01Å
616P96.7Very high97.5Very high9 Ų946.6 Ų46.66%0.05822%0.224CC..Hα-helixtrans-61.9-39-178.4-26.937.7000113.9M511 M517 Y620M511-P616 HydrophobicContact CE-CB 3.91Å; M511-P616 HydrophobicContact CE-CG 4.09Å; M511-P616 HydrophobicContact SD-CG 4.34Å; M517-P616 HydrophobicContact SD-CG 3.73Å; P616-Y620 WeakPolarHBondContact O-CB 3.49Å; P616-Y620 PolarHBondContact O-N 3.36Å
617D97.2Very high97.5Very high64 Ų6446.3 Ų46.334%0.34222%0.223SC..Hα-helixtrans-71.2-45.3179.2-179.876.1000111.9N614 L615 M619 Y620 R621N614-D617 WeakPolarHBondContact ND2-CB 3.39Å; N614-D617 PolarHBondContact O-N 2.64Å; N614-D617 WeakPolarHBondContact OD1-CB 3.43Å; L615-D617 PolarHBondContact O-N 2.86Å; D617-M619 VanDerWaalsContact C-N 3.32Å; D617-M619 PolarHBondContact O-N 3.06Å; D617-Y620 PolarHBondContact O-N 3.29Å; D617-R621 PolarHBondContact O-N 3.34Å; D617-R621 IonicContact OD2-CZ 2.74Å; D617-R621 IonicContact OD2-NE 3.9Å; D617-R621 PolarHBondContact OD2-NE 2.96Å; D617-R621 IonicContact OD2-NH2 3.27Å; D617-R621 PolarHBondContact OD2-NH2 3.35Å
618L97.4Very high97.5Very high20 Ų2048.8 Ų48.811%0.10524%0.239CC..Hα-helixtrans-59.2-45174.8-81.9170.1000111.3H613 N614 L615 Y620 R621 A622 E687 F688 M691H613-L618 VanDerWaalsContact O-CD1 3.23Å; H613-L618 WeakPolarHBondContact O-CD1 3.45Å; N614-L618 PolarHBondContact O-N 3.39Å; N614-L618 VanDerWaalsContact O-N 3.15Å; L615-L618 PolarHBondContact O-N 3.17Å; L618-Y620 VanDerWaalsContact C-N 3.33Å; L618-Y620 PolarHBondContact O-N 2.81Å; L618-R621 PolarHBondContact O-N 3.49Å; L618-A622 VanDerWaalsContact O-CB 3.28Å; L618-A622 WeakPolarHBondContact O-CB 3.4Å; L618-A622 PolarHBondContact O-N 2.86Å; L618-E687 HydrophobicContact CD2-CB 3.83Å; L618-F688 HydrophobicContact CB-CD2 4.2Å; L618-M691 HydrophobicContact CB-CE 4.38Å; L618-M691 HydrophobicContact CD1-CB 3.79Å; L618-M691 HydrophobicContact CD1-CE 4.28Å; L618-M691 HydrophobicContact CD1-CG 3.68Å
619M97.8Very high97.5Very high2 Ų244.7 Ų44.71%0.0122%0.222CC..Hα-helixtrans-61-41.6175.7-176.6174.853.800111.5P543 L615 D617 F623 P666 P667 F688P543-M619 HydrophobicContact CG-CE 4.29Å; L615-M619 HydrophobicContact CD2-CE 4.3Å; L615-M619 VanDerWaalsContact O-CB 3.25Å; L615-M619 WeakPolarHBondContact O-CB 3.25Å; L615-M619 PolarHBondContact O-N 3.46Å; D617-M619 VanDerWaalsContact C-N 3.32Å; D617-M619 PolarHBondContact O-N 3.06Å; M619-F623 WeakPolarHBondContact O-CD2 3.41Å; M619-P666 HydrophobicContact SD-CB 4.06Å; M619-P666 HydrophobicContact SD-CG 4.26Å; M619-P667 HydrophobicContact CG-CG 4.33Å; M619-P667 HydrophobicContact SD-CB 3.92Å; M619-P667 HydrophobicContact SD-CG 4.07Å; M619-F688 HydrophobicContact CB-CD2 4.03Å; M619-F688 HydrophobicContact CB-CE2 3.53Å; M619-F688 HydrophobicContact CB-CZ 3.98Å; M619-F688 HydrophobicContact CG-CE2 3.94Å; M619-F688 HydrophobicContact CG-CZ 3.85Å; M619-F688 HydrophobicContact SD-CZ 4.43Å
620Y96.6Very high97.5Very high71 Ų7146.8 Ų46.828%0.27824%0.236SC..Hα-helixtrans-62.4-51.9177.1-173.3-82.3000111.2R279 P616 D617 L618 A622 F623 E624R279-Y620 HydrophobicContact CG-CD2 3.81Å; R279-Y620 HydrophobicContact CG-CE2 3.83Å; P616-Y620 WeakPolarHBondContact O-CB 3.49Å; P616-Y620 PolarHBondContact O-N 3.36Å; D617-Y620 PolarHBondContact O-N 3.29Å; L618-Y620 VanDerWaalsContact C-N 3.33Å; L618-Y620 PolarHBondContact O-N 2.81Å; Y620-A622 PolarHBondContact O-N 3.34Å; Y620-F623 PolarHBondContact O-N 3.02Å; Y620-E624 PolarHBondContact O-N 3.06Å
621R97.4Very high97.5Very high85 Ų8548.6 Ų48.632%0.32125%0.245SC..Hα-helixtrans-62.7-39.1-178.7-73.3-170.8-74.1113.9-3.3113.1D617 L618 F623 E624 P684 E687D617-R621 PolarHBondContact O-N 3.34Å; D617-R621 IonicContact OD2-CZ 2.74Å; D617-R621 IonicContact OD2-NE 3.9Å; D617-R621 PolarHBondContact OD2-NE 2.96Å; D617-R621 IonicContact OD2-NH2 3.27Å; D617-R621 PolarHBondContact OD2-NH2 3.35Å; L618-R621 PolarHBondContact O-N 3.49Å; R621-F623 VanDerWaalsContact C-N 3.27Å; R621-F623 PolarHBondContact O-N 3.25Å; R621-E624 PolarHBondContact O-N 3.24Å; R621-P684 HydrophobicContact CB-CB 4.13Å; R621-E687 IonicContact NH1-OE2 2.67Å; R621-E687 PolarHBondContact NH1-OE2 2.91Å
622A97.8Very high97.5Very high0 Ų046.7 Ų46.70%023%0.233CC..Hα-helixtrans-60.1-34.7-178.800000113.5L618 Y620 L671 V685 F688L618-A622 VanDerWaalsContact O-CB 3.28Å; L618-A622 WeakPolarHBondContact O-CB 3.4Å; L618-A622 PolarHBondContact O-N 2.86Å; Y620-A622 PolarHBondContact O-N 3.34Å; A622-L671 HydrophobicContact CB-CD1 4.37Å; A622-V685 WeakPolarHBondContact O-CG2 3.44Å; A622-F688 HydrophobicContact CB-CB 3.54Å; A622-F688 HydrophobicContact CB-CD1 3.96Å; A622-F688 HydrophobicContact CB-CG 3.87Å
623F96.9Very high97.6Very high30 Ų3039.8 Ų39.813%0.13220%0.201CC..Hα-helixtrans-95.6-10.8-178.1-77.3-89.3000113.9R276 R279 M619 Y620 R621 V625 P664 P667 V669 L671 F688R276-F623 PolarHBondContact NH2-O 3.38Å; R279-F623 VanDerWaalsContact NE-CB 3.28Å; M619-F623 WeakPolarHBondContact O-CD2 3.41Å; Y620-F623 PolarHBondContact O-N 3.02Å; R621-F623 VanDerWaalsContact C-N 3.27Å; R621-F623 PolarHBondContact O-N 3.25Å; F623-V625 VanDerWaalsContact C-N 3.31Å; F623-P664 HydrophobicContact CZ-CG 4.2Å; F623-P667 HydrophobicContact CD2-CG 4.21Å; F623-P667 HydrophobicContact CE1-CG 4.44Å; F623-P667 VanDerWaalsContact CE2-CD 3.42Å; F623-P667 HydrophobicContact CE2-CG 3.55Å; F623-P667 HydrophobicContact CZ-CG 3.67Å; F623-V669 HydrophobicContact CD1-CG2 4.19Å; F623-V669 HydrophobicContact CE1-CG2 3.51Å; F623-V669 HydrophobicContact CZ-CG2 3.89Å; F623-L671 HydrophobicContact CD1-CD1 4.04Å; F623-L671 HydrophobicContact CD2-CD1 4.11Å; F623-L671 HydrophobicContact CE1-CB 4.09Å; F623-L671 HydrophobicContact CE1-CD1 3.82Å; F623-L671 HydrophobicContact CE2-CD1 3.92Å; F623-L671 HydrophobicContact CG-CD1 4.19Å; F623-L671 HydrophobicContact CZ-CB 3.93Å; F623-L671 HydrophobicContact CZ-CD1 3.77Å; F623-L671 HydrophobicContact CZ-CG 4.33Å; F623-F688 HydrophobicContact CE2-CD1 4.45Å; F623-F688 AromaticContact CE2-CE1 4Å; F623-F688 HydrophobicContact CE2-CE1 4Å
624E94.8Very high97.6Very high101 Ų10141.5 Ų41.547%0.47221%0.207SC..Hα-helixtrans-75.7-23.6175.5-164.858.8-140.500111.9R276 Y620 R621R276-E624 PolarHBondContact NH2-O 2.82Å; Y620-E624 PolarHBondContact O-N 3.06Å; R621-E624 PolarHBondContact O-N 3.24Å
625V97.3Very high97.7Very high43 Ų4339.5 Ų39.526%0.26120%0.201SC..SBendtrans-99157.2170.8-63.30000110.9F623 V685F623-V625 VanDerWaalsContact C-N 3.31Å; V625-V685 HydrophobicContact CG2-CG2 3.85Å
626L97.7Very high97.8Very high48 Ų4839 Ų3925%0.25120%0.198SC..  trans-110.5140166-75.3-179.6000109.6R255 Y274 R276R255-L626 HydrophobicContact CG-CD2 4.19Å; Y274-L626 HydrophobicContact CD2-CD1 4.47Å; R276-L626 VanDerWaalsContact CZ-CG 3.49Å
627P98.3Very high97.9Very high7 Ų741.2 Ų41.25%0.04521%0.207CC..  trans-53.6151159.8-26.137000111.7M629 V672 E676 V685P627-M629 PolarHBondContact O-N 2.99Å; P627-V672 HydrophobicContact CB-CG1 4.46Å; P627-V672 HydrophobicContact CG-CB 4.47Å; P627-V672 HydrophobicContact CG-CG1 4.29Å; P627-V672 HydrophobicContact CG-CG2 4.04Å; P627-E676 HydrophobicContact CB-CB 3.76Å; P627-E676 HydrophobicContact CB-CG 4.29Å; P627-V685 HydrophobicContact CG-CG2 4.33Å
628T98.3Very high97.9Very high60 Ų6041.1 Ų41.137%0.36820%0.204SC..EExtended strand (participates in β ladder)trans-75.9123179.3-61.80000110.2V630 E676 M677T628-V630 HydrophobicContact CG2-CG2 4.4Å; T628-V630 PolarHBondContact O-N 3.26Å; T628-V630 VanDerWaalsContact O-N 3.12Å; T628-E676 CarbonylContact O-C 3.53Å; T628-E676 VanDerWaalsContact O-CA 3.26Å; T628-E676 WeakPolarHBondContact O-CA 3.46Å; T628-M677 PolarHBondContact N-O 2.85Å; T628-M677 PolarHBondContact O-N 3.49Å
629M98.4Very high98Very high46 Ų4643 Ų4323%0.22721%0.212CC..EExtended strand (participates in β ladder)trans-7698.3174.2-172.7-17973.500110.3T271 P272 T305 P627 M631 E676T271-M629 HydrophobicContact CG2-CE 4.18Å; P272-M629 HydrophobicContact CG-SD 3.71Å; T305-M629 HydrophobicContact CG2-CE 3.82Å; P627-M629 PolarHBondContact O-N 2.99Å; M629-M631 WeakPolarHBondContact CG-O 3.37Å; M629-E676 HydrophobicContact CB-CG 4.31Å
630V98.4Very high98Very high70 Ų7045.1 Ų45.142%0.42422%0.222SC..SBendtrans-79.8-35.8-180179.70000111T628 I657 G675 M677T628-V630 HydrophobicContact CG2-CG2 4.4Å; T628-V630 PolarHBondContact O-N 3.26Å; T628-V630 VanDerWaalsContact O-N 3.12Å; V630-I657 HydrophobicContact CB-CD1 4.17Å; V630-I657 HydrophobicContact CB-CG1 4.36Å; V630-I657 HydrophobicContact CG1-CD1 3.65Å; V630-I657 HydrophobicContact CG1-CG1 4.3Å; V630-I657 HydrophobicContact CG2-CG1 4.5Å; V630-G675 PolarHBondContact N-O 2.98Å; V630-M677 HydrophobicContact CG2-CB 3.59Å; V630-M677 HydrophobicContact CG2-CE 4.07Å; V630-M677 HydrophobicContact CG2-SD 4.25Å
631M98.4Very high98.1Very high46 Ų4647 Ų4723%0.22724%0.236CC..SBendtrans-146.1164.6171.765.7-175.86500110M629 A635 A636 K639 I657 G675 L722M629-M631 WeakPolarHBondContact CG-O 3.37Å; M631-A635 HydrophobicContact CB-CB 3.98Å; M631-A635 HydrophobicContact CG-CB 4.17Å; M631-A635 HydrophobicContact SD-CB 4.12Å; M631-A636 HydrophobicContact CG-CB 4.18Å; M631-A636 HydrophobicContact SD-CB 4.12Å; M631-K639 HydrophobicContact SD-CG 4.47Å; M631-I657 HydrophobicContact CE-CD1 3.83Å; M631-I657 HydrophobicContact CE-CG2 4.49Å; M631-I657 HydrophobicContact CG-CG2 4.49Å; M631-G675 PolarHBondContact N-O 3.04Å; M631-G675 VanDerWaalsContact N-O 3.15Å; M631-G675 CarbonylContact O-C 3.48Å; M631-G675 WeakPolarHBondContact O-CA 3.45Å; M631-L722 HydrophobicContact CE-CD1 3.87Å; M631-L722 HydrophobicContact SD-CD1 3.64Å
632T98.7Very high98.1Very high21 Ų2149.2 Ų49.213%0.12925%0.25CC..  trans-67.6157.4177.662.90000111.1V270 Y634 A635 A636V270-T632 WeakPolarHBondContact O-CG2 3.14Å; T632-Y634 PolarHBondContact O-N 3.49Å; T632-A635 PolarHBondContact O-N 3.47Å; T632-A635 VanDerWaalsContact O-N 3.08Å; T632-A635 PolarHBondContact OG1-N 2.92Å; T632-A636 PolarHBondContact O-N 2.66Å
633P98.8Very high98.1Very high1 Ų151.2 Ų51.21%0.00627%0.271CS..Hα-helixtrans-55.9-34.4172.2-2735.1000113.3M265 M266 P272 F637 P674M265-P633 HydrophobicContact CB-CB 3.98Å; M265-P633 HydrophobicContact CB-CG 4.03Å; M265-P633 HydrophobicContact SD-CG 4.39Å; M266-P633 HydrophobicContact CG-CB 4.03Å; P272-P633 HydrophobicContact CG-CG 4.45Å; P633-F637 WeakPolarHBondContact O-CB 3.37Å; P633-F637 PolarHBondContact O-N 3.22Å; P633-P674 WeakPolarHBondContact CA-O 3.43Å; P633-P674 HydrophobicContact CB-CB 4.16Å
634Y98.8Very high98.2Very high65 Ų6553.3 Ų53.326%0.25528%0.282SS..Hα-helixtrans-58.5-53.8172177.4-99.7000111.5M265 M266 D269 T632 A636 F637 Q638M265-Y634 WeakPolarHBondContact O-CB 3.45Å; M265-Y634 PolarHBondContact O-N 2.79Å; M265-Y634 VanDerWaalsContact O-N 3.13Å; M266-Y634 WeakPolarHBondContact O-CD2 3.47Å; D269-Y634 HydrophobicContact CB-CD1 3.76Å; D269-Y634 HydrophobicContact CB-CD2 4.32Å; D269-Y634 HydrophobicContact CB-CE1 3.71Å; D269-Y634 HydrophobicContact CB-CE2 4.28Å; D269-Y634 HydrophobicContact CB-CG 4.07Å; D269-Y634 WeakPolarHBondContact OD1-CD1 3.39Å; T632-Y634 PolarHBondContact O-N 3.49Å; Y634-A636 VanDerWaalsContact C-N 3.34Å; Y634-A636 PolarHBondContact O-N 3.46Å; Y634-F637 PolarHBondContact O-N 2.87Å; Y634-Q638 HydrophobicContact CD1-CG 4.16Å; Y634-Q638 HydrophobicContact CE1-CG 3.82Å; Y634-Q638 HydrophobicContact CE2-CG 4.41Å; Y634-Q638 WeakPolarHBondContact O-CG 3.35Å; Y634-Q638 PolarHBondContact O-N 2.97Å; Y634-Q638 PolarHBondContact OH-NE2 3.5Å
635A98.7Very high98.4Very high31 Ų3150 Ų5026%0.25627%0.268SS..Hα-helixtrans-62.6-39-179.300000112.7M631 T632 Q638 K639M631-A635 HydrophobicContact CB-CB 3.98Å; M631-A635 HydrophobicContact CG-CB 4.17Å; M631-A635 HydrophobicContact SD-CB 4.12Å; T632-A635 PolarHBondContact O-N 3.47Å; T632-A635 VanDerWaalsContact O-N 3.08Å; T632-A635 PolarHBondContact OG1-N 2.92Å; A635-Q638 WeakPolarHBondContact O-CB 3.29Å; A635-Q638 PolarHBondContact O-N 3.39Å; A635-K639 PolarHBondContact O-N 3.49Å
636A98.7Very high98.4Very high0 Ų051.5 Ų51.50%027%0.273CS..Hα-helixtrans-63-43.6174.900000111.5M631 T632 Y634 K639 E640 P674 G675M631-A636 HydrophobicContact CG-CB 4.18Å; M631-A636 HydrophobicContact SD-CB 4.12Å; T632-A636 PolarHBondContact O-N 2.66Å; Y634-A636 VanDerWaalsContact C-N 3.34Å; Y634-A636 PolarHBondContact O-N 3.46Å; A636-K639 WeakPolarHBondContact O-CB 3.46Å; A636-K639 PolarHBondContact O-N 3.21Å; A636-E640 PolarHBondContact O-N 3.35Å; A636-P674 HydrophobicContact CB-CB 3.98Å; A636-G675 VanDerWaalsContact CB-N 3.27Å
637F98.7Very high98.5Very high55 Ų5554.3 Ų54.324%0.24128%0.284CS..Hα-helixtrans-66.7-35.8175.9-170.9-119.2000112.3M266 P633 Y634 K639 E640 L641M266-F637 HydrophobicContact CB-CB 4.13Å; M266-F637 HydrophobicContact CB-CD1 4.3Å; M266-F637 HydrophobicContact CB-CG 4.18Å; M266-F637 HydrophobicContact CE-CB 4.29Å; M266-F637 HydrophobicContact CE-CD2 3.41Å; M266-F637 VanDerWaalsContact CE-CD2 3.41Å; M266-F637 HydrophobicContact CE-CE2 3.81Å; M266-F637 HydrophobicContact CE-CG 3.86Å; M266-F637 HydrophobicContact CG-CB 4.34Å; P633-F637 WeakPolarHBondContact O-CB 3.37Å; P633-F637 PolarHBondContact O-N 3.22Å; Y634-F637 PolarHBondContact O-N 2.87Å; F637-K639 VanDerWaalsContact C-N 3.35Å; F637-K639 PolarHBondContact O-N 3.36Å; F637-E640 WeakPolarHBondContact O-CB 3.46Å; F637-E640 PolarHBondContact O-N 2.9Å; F637-L641 HydrophobicContact CD1-CD1 4.08Å; F637-L641 HydrophobicContact CD1-CG 4.39Å; F637-L641 HydrophobicContact CE1-CD1 3.87Å; F637-L641 HydrophobicContact CE1-CD2 4.27Å; F637-L641 HydrophobicContact CE1-CG 4.13Å; F637-L641 HydrophobicContact CZ-CD1 4.46Å; F637-L641 HydrophobicContact CZ-CD2 4.04Å; F637-L641 HydrophobicContact CZ-CG 4.26Å; F637-L641 WeakPolarHBondContact O-CG 3.5Å; F637-L641 PolarHBondContact O-N 3.08Å
638Q98.8Very high98.5Very high61 Ų6154.5 Ų54.529%0.28529%0.286SS..Hα-helixtrans-59.5-44.5170.9-68-57.2-36.800111.3Y634 A635 E640 L641 H642Y634-Q638 HydrophobicContact CD1-CG 4.16Å; Y634-Q638 HydrophobicContact CE1-CG 3.82Å; Y634-Q638 HydrophobicContact CE2-CG 4.41Å; Y634-Q638 WeakPolarHBondContact O-CG 3.35Å; Y634-Q638 PolarHBondContact O-N 2.97Å; Y634-Q638 PolarHBondContact OH-NE2 3.5Å; A635-Q638 WeakPolarHBondContact O-CB 3.29Å; A635-Q638 PolarHBondContact O-N 3.39Å; Q638-E640 VanDerWaalsContact C-N 3.32Å; Q638-E640 PolarHBondContact O-N 2.89Å; Q638-L641 PolarHBondContact O-N 2.86Å; Q638-H642 PolarHBondContact O-N 2.85Å; Q638-H642 VanDerWaalsContact O-N 3.16Å; Q638-H642 PolarHBondContact O-ND1 2.98Å
639K98.5Very high98.5Very high60 Ų6055 Ų5526%0.26128%0.281SS..Hα-helixtrans-62.4-38.8175.4-71.4-71.6-163.8171.80111.9M631 A635 A636 F637 H642 M644 L722 E725M631-K639 HydrophobicContact SD-CG 4.47Å; A635-K639 PolarHBondContact O-N 3.49Å; A636-K639 WeakPolarHBondContact O-CB 3.46Å; A636-K639 PolarHBondContact O-N 3.21Å; F637-K639 VanDerWaalsContact C-N 3.35Å; F637-K639 PolarHBondContact O-N 3.36Å; K639-H642 PolarHBondContact O-N 3.03Å; K639-M644 HydrophobicContact CB-CB 4.43Å; K639-M644 HydrophobicContact CD-SD 3.56Å; K639-M644 VanDerWaalsContact CD-SD 3.56Å; K639-M644 WeakPolarHBondContact O-CB 3.18Å; K639-M644 PolarHBondContact O-N 3.16Å; K639-M644 VanDerWaalsContact O-N 3.09Å; K639-L722 HydrophobicContact CB-CD1 4.04Å; K639-L722 HydrophobicContact CB-CD2 3.81Å; K639-L722 HydrophobicContact CG-CD1 4.19Å; K639-E725 IonicContact NZ-OE1 2.78Å; K639-E725 PolarHBondContact NZ-OE1 3.03Å
640E98.4Very high98.5Very high47 Ų4753.2 Ų53.222%0.2227%0.272CS..Hα-helixtrans-60.9-46172.6178.3174.2171.200112.5A636 F637 Q638 H642 G643 T645 K720A636-E640 PolarHBondContact O-N 3.35Å; F637-E640 WeakPolarHBondContact O-CB 3.46Å; F637-E640 PolarHBondContact O-N 2.9Å; Q638-E640 VanDerWaalsContact C-N 3.32Å; Q638-E640 PolarHBondContact O-N 2.89Å; E640-H642 PolarHBondContact O-N 3.34Å; E640-H642 VanDerWaalsContact O-N 3.17Å; E640-G643 PolarHBondContact O-N 2.66Å; E640-T645 HydrophobicContact CB-CG2 3.92Å; E640-T645 HydrophobicContact CG-CG2 4.02Å; E640-K720 IonicContact OE1-NZ 2.87Å; E640-K720 PolarHBondContact OE1-NZ 2.94Å; E640-K720 IonicContact OE2-NZ 2.97Å; E640-K720 PolarHBondContact OE2-NZ 2.91Å
641L98.4Very high98.4Very high110 Ų11053.8 Ų53.858%0.57627%0.273SS*.Hα-helixtrans-59.8-26.3176.1-69.8174.9000112.7F637 Q638 G643F637-L641 HydrophobicContact CD1-CD1 4.08Å; F637-L641 HydrophobicContact CD1-CG 4.39Å; F637-L641 HydrophobicContact CE1-CD1 3.87Å; F637-L641 HydrophobicContact CE1-CD2 4.27Å; F637-L641 HydrophobicContact CE1-CG 4.13Å; F637-L641 HydrophobicContact CZ-CD1 4.46Å; F637-L641 HydrophobicContact CZ-CD2 4.04Å; F637-L641 HydrophobicContact CZ-CG 4.26Å; F637-L641 WeakPolarHBondContact O-CG 3.5Å; F637-L641 PolarHBondContact O-N 3.08Å; Q638-L641 PolarHBondContact O-N 2.86Å; L641-G643 VanDerWaalsContact C-N 3.28Å; L641-G643 PolarHBondContact O-N 2.79Å
642H98.2Very high98.4Very high131 Ų13156.5 Ų56.561%0.60629%0.285SS*.THydrogen-bonded Turntrans-84.37.5173.4-70.684.9000113.9Q638 K639 E640 M644Q638-H642 PolarHBondContact O-N 2.85Å; Q638-H642 VanDerWaalsContact O-N 3.16Å; Q638-H642 PolarHBondContact O-ND1 2.98Å; K639-H642 PolarHBondContact O-N 3.03Å; E640-H642 PolarHBondContact O-N 3.34Å; E640-H642 VanDerWaalsContact O-N 3.17Å; H642-M644 HydrophobicContact CB-CE 4.42Å; H642-M644 HydrophobicContact CB-CG 4.07Å; H642-M644 HydrophobicContact CB-SD 4.41Å; H642-M644 PolarHBondContact O-N 3.41Å
643G97.5Very high98.4Very high43 Ų4355.5 Ų55.544%0.44328%0.279SS..THydrogen-bonded Turntrans68.319.8-179.100000113.9E640 L641 T645 K723E640-G643 PolarHBondContact O-N 2.66Å; L641-G643 VanDerWaalsContact C-N 3.28Å; L641-G643 PolarHBondContact O-N 2.79Å; G643-T645 PolarHBondContact O-N 3.17Å; G643-K723 PolarHBondContact O-NZ 3.4Å
644M98.2Very high98.3Very high73 Ų7357.2 Ų57.236%0.3629%0.289SS..  trans-87.836.5-177.7-60.8-173.8171.900112.6K639 H642 L722 K723K639-M644 HydrophobicContact CB-CB 4.43Å; K639-M644 HydrophobicContact CD-SD 3.56Å; K639-M644 VanDerWaalsContact CD-SD 3.56Å; K639-M644 WeakPolarHBondContact O-CB 3.18Å; K639-M644 PolarHBondContact O-N 3.16Å; K639-M644 VanDerWaalsContact O-N 3.09Å; H642-M644 HydrophobicContact CB-CE 4.42Å; H642-M644 HydrophobicContact CB-CG 4.07Å; H642-M644 HydrophobicContact CB-SD 4.41Å; H642-M644 PolarHBondContact O-N 3.41Å; M644-L722 CarbonylContact O-C 3.55Å; M644-L722 WeakPolarHBondContact O-CA 3.33Å; M644-K723 PolarHBondContact O-N 2.84Å
645T98.5Very high98.3Very high32 Ų3255.7 Ų55.720%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-116.6152.117757.40000111.8E640 G643 A659 K720 V721 L722 K723E640-T645 HydrophobicContact CB-CG2 3.92Å; E640-T645 HydrophobicContact CG-CG2 4.02Å; G643-T645 PolarHBondContact O-N 3.17Å; T645-A659 HydrophobicContact CG2-CB 3.68Å; T645-K720 HydrophobicContact CG2-CD 4.19Å; T645-K720 HydrophobicContact CG2-CG 4.2Å; T645-V721 CarbonylContact C-O 3.36Å; T645-V721 WeakPolarHBondContact CA-O 3.36Å; T645-L722 HydrophobicContact CG2-CD2 3.99Å; T645-K723 WeakPolarHBondContact O-CE 3.47Å
646E98.4Very high98.3Very high75 Ų7555.8 Ų55.835%0.3529%0.287SS..EExtended strand (participates in β ladder)trans-141.2159.1169.164.5-171.9157.300109.8V648 R656 V721 K723E646-V648 HydrophobicContact CG-CG1 4.46Å; E646-R656 IonicContact OE1-CZ 3.69Å; E646-R656 IonicContact OE1-NH1 3.28Å; E646-R656 IonicContact OE1-NH2 3.8Å; E646-R656 PolarHBondContact OE1-NH2 3.45Å; E646-V721 HydrophobicContact CG-CG2 4.06Å; E646-V721 PolarHBondContact N-O 3.1Å; E646-V721 PolarHBondContact O-N 3.05Å; E646-K723 HydrophobicContact CB-CG 4.07Å; E646-K723 HydrophobicContact CG-CG 4.03Å
647E98.5Very high98.3Very high106 Ų10657.1 Ų57.150%0.49529%0.294SS..EExtended strand (participates in β ladder)trans-92.2135.2170.9-72.5-171.1-158.900109.8T718 V719E647-T718 WeakPolarHBondContact OE2-CB 3.48Å; E647-T718 PolarHBondContact OE2-OG1 2.7Å; E647-V719 WeakPolarHBondContact CA-O 3.36Å
648V98.4Very high98.3Very high12 Ų1254.6 Ų54.67%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-123.4157.2170.8-62.90000109E646 E652 M653 T718 V719 V721E646-V648 HydrophobicContact CG-CG1 4.46Å; V648-E652 HydrophobicContact CB-CB 4.35Å; V648-M653 HydrophobicContact CG2-CB 4.22Å; V648-T718 CarbonylContact O-C 3.55Å; V648-T718 WeakPolarHBondContact O-CA 3.41Å; V648-T718 VanDerWaalsContact O-CB 3.31Å; V648-T718 WeakPolarHBondContact O-CB 3.41Å; V648-V719 HydrophobicContact CG2-CG2 4.04Å; V648-V719 PolarHBondContact N-O 2.98Å; V648-V719 VanDerWaalsContact N-O 3.08Å; V648-V719 PolarHBondContact O-N 3.42Å; V648-V721 HydrophobicContact CB-CG2 4.35Å; V648-V721 HydrophobicContact CG1-CG2 3.72Å; V648-V721 HydrophobicContact CG2-CB 4.43Å; V648-V721 HydrophobicContact CG2-CG1 3.79Å; V648-V721 HydrophobicContact CG2-CG2 3.73Å
649Y98.5Very high98.3Very high71 Ų7151.7 Ų51.728%0.27827%0.269SS..EExtended strand (participates in β ladder)trans-63149.5171-73.6-70.4000110.5D651 E652 R716 T718Y649-D651 PolarHBondContact O-N 3.25Å; Y649-D651 VanDerWaalsContact O-N 3.16Å; Y649-E652 PolarHBondContact N-OE2 2.89Å; Y649-E652 WeakPolarHBondContact O-CB 3.44Å; Y649-E652 PolarHBondContact O-N 3.47Å; Y649-R716 HydrophobicContact CD1-CB 3.92Å; Y649-R716 HydrophobicContact CE1-CB 3.74Å; Y649-R716 HydrophobicContact CE1-CG 4.41Å; Y649-R716 VanDerWaalsContact CE2-NH1 3.29Å; Y649-T718 HydrophobicContact CD1-CG2 3.97Å; Y649-T718 HydrophobicContact CE1-CG2 4.23Å
650L98.1Very high98.2Very high7 Ų750.1 Ų50.14%0.03726%0.264CS..G310 helixtrans-53.7-37.4179-172.870.4000111.5E652 M653 L686 L689 Q690 Y717 V719L650-E652 PolarHBondContact O-N 2.68Å; L650-M653 HydrophobicContact CD1-CE 3.65Å; L650-M653 WeakPolarHBondContact O-CG 3.41Å; L650-M653 PolarHBondContact O-N 3.25Å; L650-L686 HydrophobicContact CD1-CD1 4.35Å; L650-L686 HydrophobicContact CG-CD1 3.92Å; L650-L686 VanDerWaalsContact O-CD1 3.23Å; L650-L686 WeakPolarHBondContact O-CD1 3.37Å; L650-L689 HydrophobicContact CD1-CB 4.29Å; L650-L689 HydrophobicContact CD1-CD1 4.23Å; L650-L689 HydrophobicContact CD2-CB 4.01Å; L650-Q690 HydrophobicContact CD2-CG 4.24Å; L650-Y717 PolarHBondContact N-O 3.46Å; L650-V719 HydrophobicContact CD1-CG1 3.7Å
651D97.5Very high98.2Very high82 Ų8249.4 Ų49.444%0.43926%0.261SS..G310 helixtrans-64.9-19.6178.6-51.1-43.8000113.8Y649 Q690 R716Y649-D651 PolarHBondContact O-N 3.25Å; Y649-D651 VanDerWaalsContact O-N 3.16Å; D651-Q690 PolarHBondContact OD1-NE2 2.69Å; D651-R716 IonicContact OD2-CZ 3.67Å; D651-R716 IonicContact OD2-NE 3.49Å; D651-R716 IonicContact OD2-NH2 2.76Å; D651-R716 PolarHBondContact OD2-NH2 2.81Å
652E97.8Very high98.3Very high103 Ų10344.3 Ų44.348%0.48123%0.234SC..G310 helixtrans-104.35-172.7-62.3166.2-177.600112.6V648 Y649 L650 R656V648-E652 HydrophobicContact CB-CB 4.35Å; Y649-E652 PolarHBondContact N-OE2 2.89Å; Y649-E652 WeakPolarHBondContact O-CB 3.44Å; Y649-E652 PolarHBondContact O-N 3.47Å; L650-E652 PolarHBondContact O-N 2.68Å; E652-R656 WeakPolarHBondContact O-CG 3.46Å
653M98Very high98.3Very high0 Ų038.7 Ų38.70%021%0.209CC..  trans-86.6-9-171.473.8115.1107.300114.7V648 L650 G655 R656 I662 I678 L686 L689 V719V648-M653 HydrophobicContact CG2-CB 4.22Å; L650-M653 HydrophobicContact CD1-CE 3.65Å; L650-M653 WeakPolarHBondContact O-CG 3.41Å; L650-M653 PolarHBondContact O-N 3.25Å; M653-G655 PolarHBondContact O-N 2.8Å; M653-R656 WeakPolarHBondContact O-CB 3.36Å; M653-R656 PolarHBondContact O-N 2.87Å; M653-I662 HydrophobicContact CE-CD1 3.43Å; M653-I662 VanDerWaalsContact CE-CD1 3.43Å; M653-I678 HydrophobicContact CE-CD1 3.98Å; M653-I678 HydrophobicContact SD-CB 4.39Å; M653-I678 HydrophobicContact SD-CD1 3.29Å; M653-I678 WeakPolarHBondContact SD-CD1 3.35Å; M653-I678 HydrophobicContact SD-CG1 3.88Å; M653-L686 HydrophobicContact CG-CD1 4.12Å; M653-L689 HydrophobicContact CE-CD1 3.83Å; M653-V719 HydrophobicContact CB-CG2 3.74Å; M653-V719 HydrophobicContact CE-CG1 4.2Å; M653-V719 HydrophobicContact CE-CG2 4.12Å; M653-V719 HydrophobicContact CG-CG2 4.28Å
654V98.2Very high98.3Very high37 Ų3736.6 Ų36.622%0.22419%0.188CC..THydrogen-bonded Turntrans-61.9131.5171.4-174.50000109.4R656 I678 L686V654-R656 PolarHBondContact O-N 3.3Å; V654-I678 HydrophobicContact CG2-CG2 4.39Å; V654-L686 HydrophobicContact CG2-CD2 3.32Å
655G97.9Very high98.2Very high33 Ų3338 Ų3834%0.3419%0.189SC..THydrogen-bonded Turntrans77.62.2-175.900000114.3M653 M677 I678M653-G655 PolarHBondContact O-N 2.8Å; G655-M677 WeakPolarHBondContact O-CE 3.43Å; G655-I678 PolarHBondContact N-O 2.94Å
656R98.4Very high98Very high33 Ų3337.6 Ų37.613%0.12519%0.187CC..PPolyproline II helixtrans-101150.3175.1-51.9-55.9-56.8-86.3-5.3110.5E646 E652 M653 V654 M677 V721 L722 E724E646-R656 IonicContact OE1-CZ 3.69Å; E646-R656 IonicContact OE1-NH1 3.28Å; E646-R656 IonicContact OE1-NH2 3.8Å; E646-R656 PolarHBondContact OE1-NH2 3.45Å; E652-R656 WeakPolarHBondContact O-CG 3.46Å; M653-R656 WeakPolarHBondContact O-CB 3.36Å; M653-R656 PolarHBondContact O-N 2.87Å; V654-R656 PolarHBondContact O-N 3.3Å; R656-M677 WeakPolarHBondContact O-CA 3.35Å; R656-M677 WeakPolarHBondContact O-CG 3.42Å; R656-V721 HydrophobicContact CB-CB 3.98Å; R656-V721 HydrophobicContact CB-CG1 3.77Å; R656-V721 HydrophobicContact CB-CG2 4.27Å; R656-L722 PolarHBondContact NH2-O 3.32Å; R656-E724 IonicContact NE-OE1 2.71Å
657I98.7Very high97.7Very high29 Ų2934.3 Ų34.315%0.14917%0.173CC..BIsolated β-bridgetrans-93.3119.7179.2-53.7174.7000108.5V630 M631 M677 V721 L722V630-I657 HydrophobicContact CB-CD1 4.17Å; V630-I657 HydrophobicContact CB-CG1 4.36Å; V630-I657 HydrophobicContact CG1-CD1 3.65Å; V630-I657 HydrophobicContact CG1-CG1 4.3Å; V630-I657 HydrophobicContact CG2-CG1 4.5Å; M631-I657 HydrophobicContact CE-CD1 3.83Å; M631-I657 HydrophobicContact CE-CG2 4.49Å; M631-I657 HydrophobicContact CG-CG2 4.49Å; I657-M677 HydrophobicContact CD1-CE 4.32Å; I657-M677 HydrophobicContact CG1-CE 3.55Å; I657-V721 CarbonylContact O-C 3.35Å; I657-V721 VanDerWaalsContact O-CA 3.24Å; I657-V721 WeakPolarHBondContact O-CA 3.09Å; I657-V721 WeakPolarHBondContact O-CB 3.31Å; I657-L722 HydrophobicContact CB-CB 4.3Å; I657-L722 HydrophobicContact CB-CD1 4.07Å; I657-L722 HydrophobicContact CB-CG 4.18Å; I657-L722 HydrophobicContact CG2-CD1 3.73Å; I657-L722 HydrophobicContact CG2-CG 4.15Å; I657-L722 PolarHBondContact O-N 2.71Å
658N98.6Very high97.4Very high1 Ų130.3 Ų30.31%0.00516%0.159CC..BIsolated β-bridgetrans-68.3132.1-178.7-70.478.2000111.3I662 V672 P674 G675 E676N658-I662 VanDerWaalsContact ND2-CD1 3.3Å; N658-I662 WeakPolarHBondContact ND2-CD1 3.1Å; N658-V672 HydrophobicContact CB-CG1 3.92Å; N658-P674 WeakPolarHBondContact O-CA 3.35Å; N658-G675 PolarHBondContact O-N 3.03Å; N658-E676 PolarHBondContact N-O 3.03Å; N658-E676 PolarHBondContact OD1-O 3.31Å
659A98.6Very high97.1Very high0 Ų030.2 Ų30.20%016%0.159CC..SBendtrans-85.3-34.4173.800000111.8T645 P674 K720 L722T645-A659 HydrophobicContact CG2-CB 3.68Å; A659-P674 WeakPolarHBondContact O-CB 3.27Å; A659-K720 HydrophobicContact CB-CB 4.43Å; A659-K720 HydrophobicContact CB-CD 4.48Å; A659-K720 HydrophobicContact CB-CG 4.1Å; A659-K720 WeakPolarHBondContact CB-O 3.39Å; A659-K720 PolarHBondContact N-O 2.78Å; A659-L722 HydrophobicContact CB-CD2 4.02Å
660N98.2Very high97Very high27 Ų2727 Ų2714%0.14415%0.147CC..SBendtrans-108.2157.8-177.9-68.4-14.9000111.8Y710 K720N660-Y710 PolarHBondContact ND2-OH 2.73Å; N660-K720 WeakPolarHBondContact OD1-CE 3.28Å; N660-K720 PolarHBondContact OD1-NZ 3.23Å
661M98.5Very high97Very high33 Ų3326.9 Ų26.916%0.16315%0.146CC..  trans-68.3134163.6-174.6179.966.900109.9K259 T262 L663 P670 V672 M673K259-M661 HydrophobicContact CB-CE 3.95Å; T262-M661 HydrophobicContact CG2-CB 4.34Å; T262-M661 HydrophobicContact CG2-SD 3.97Å; T262-M661 PolarHBondContact OG1-SD 3.22Å; T262-M661 VanDerWaalsContact OG1-SD 3.41Å; M661-L663 HydrophobicContact CE-CB 4.25Å; M661-L663 HydrophobicContact CE-CD1 3.82Å; M661-P670 HydrophobicContact CG-CB 4.19Å; M661-P670 HydrophobicContact SD-CB 3.83Å; M661-P670 HydrophobicContact SD-CG 3.77Å; M661-V672 CarbonylContact C-O 3.6Å; M661-V672 VanDerWaalsContact CA-O 3.25Å; M661-V672 WeakPolarHBondContact CA-O 3.47Å; M661-V672 WeakPolarHBondContact CG-O 3.33Å; M661-M673 HydrophobicContact CG-SD 4.17Å; M661-M673 HydrophobicContact SD-SD 4.19Å
662I98.7Very high97.1Very high2 Ų223 Ų231%0.0113%0.125CC..BIsolated β-bridgetrans-104.1120.5170.8-60.5177.2000108.6M653 N658 L671 V672 L689 I706 H707 V719M653-I662 HydrophobicContact CE-CD1 3.43Å; M653-I662 VanDerWaalsContact CE-CD1 3.43Å; N658-I662 VanDerWaalsContact ND2-CD1 3.3Å; N658-I662 WeakPolarHBondContact ND2-CD1 3.1Å; I662-L671 PolarHBondContact O-N 2.88Å; I662-V672 HydrophobicContact CB-CB 4.02Å; I662-V672 HydrophobicContact CB-CG2 4.24Å; I662-V672 HydrophobicContact CD1-CB 4.32Å; I662-V672 HydrophobicContact CD1-CG2 4.28Å; I662-V672 HydrophobicContact CG1-CB 4.31Å; I662-V672 PolarHBondContact N-O 3.37Å; I662-V672 PolarHBondContact O-N 2.88Å; I662-L689 HydrophobicContact CD1-CD1 4.44Å; I662-L689 HydrophobicContact CG2-CD1 4.13Å; I662-L689 HydrophobicContact CG2-CD2 3.82Å; I662-I706 HydrophobicContact CG2-CG2 3.69Å; I662-H707 WeakPolarHBondContact CA-O 3.36Å; I662-V719 HydrophobicContact CD1-CG1 3.99Å
663L98.1Very high97.1Very high13 Ų1318 Ų187%0.06810%0.102CC..EExtended strand (participates in β ladder)trans-13199-177-169.1167000109.4M661 Y665 P670 H707M661-L663 HydrophobicContact CE-CB 4.25Å; M661-L663 HydrophobicContact CE-CD1 3.82Å; L663-Y665 HydrophobicContact CD2-CD2 3.89Å; L663-Y665 HydrophobicContact CD2-CE1 4.28Å; L663-Y665 HydrophobicContact CD2-CE2 3.21Å; L663-Y665 VanDerWaalsContact CD2-CZ 3.42Å; L663-P670 HydrophobicContact CD1-CG 4.3Å; L663-H707 HydrophobicContact CB-CB 4.23Å; L663-H707 PolarHBondContact N-O 3.23Å; L663-H707 PolarHBondContact O-N 3.26Å
664P97.7Very high97.2Very high0 Ų018.1 Ų18.10%010%0.103CC..EExtended strand (participates in β ladder)trans-83.8147.9-179.832.8-34.7000113.1F623 P666 G668 L671 F688 L689 L692 I706F623-P664 HydrophobicContact CZ-CG 4.2Å; P664-P666 CarbonylContact C-O 3.35Å; P664-P666 CarbonylContact O-C 3.52Å; P664-P666 VanDerWaalsContact O-C 3.28Å; P664-G668 VanDerWaalsContact O-CA 3.32Å; P664-G668 WeakPolarHBondContact O-CA 3.17Å; P664-G668 PolarHBondContact O-N 2.79Å; P664-L671 HydrophobicContact CG-CB 4.13Å; P664-L671 HydrophobicContact CG-CD2 4.09Å; P664-F688 HydrophobicContact CB-CE1 4.11Å; P664-F688 HydrophobicContact CG-CE1 3.8Å; P664-L689 HydrophobicContact CB-CD2 4.28Å; P664-L689 HydrophobicContact CG-CD2 4.49Å; P664-L692 HydrophobicContact CB-CD1 3.61Å; P664-I706 HydrophobicContact CB-CG1 4.07Å; P664-I706 HydrophobicContact CB-CG2 4.48Å
665Y96.9Very high97.2Very high102 Ų10216.3 Ų16.340%0.49%0.092SC..EExtended strand (participates in β ladder)trans-117.5114.1167.8-70.5-87.1000110.2L663 G668 D705 H707L663-Y665 HydrophobicContact CD2-CD2 3.89Å; L663-Y665 HydrophobicContact CD2-CE1 4.28Å; L663-Y665 HydrophobicContact CD2-CE2 3.21Å; L663-Y665 VanDerWaalsContact CD2-CZ 3.42Å; Y665-G668 VanDerWaalsContact CD1-CA 3.41Å; Y665-D705 PolarHBondContact N-O 3.37Å; Y665-H707 AromaticContact CE2-CE1 3.8Å; Y665-H707 AromaticContact CE2-ND1 4Å
666P94.9Very high97.2Very high23 Ų2314.9 Ų14.915%0.1498%0.076CC..THydrogen-bonded Turncis-72.9168.8-2.233.1-37.7000113.5P543 M619 P664 F688P543-P666 HydrophobicContact CG-CB 4.45Å; P543-P666 HydrophobicContact CG-CG 4.17Å; M619-P666 HydrophobicContact SD-CB 4.06Å; M619-P666 HydrophobicContact SD-CG 4.26Å; P664-P666 CarbonylContact C-O 3.35Å; P664-P666 CarbonylContact O-C 3.52Å; P664-P666 VanDerWaalsContact O-C 3.28Å; P666-F688 WeakPolarHBondContact O-CZ 3.31Å
667P92.3Very high97.2Very high7 Ų715 Ų155%0.0458%0.079CC..THydrogen-bonded Turncis-91.33.8-5.331.5-28.1000114.4L285 M619 F623 V669L285-P667 HydrophobicContact CD1-CB 4.48Å; M619-P667 HydrophobicContact CG-CG 4.33Å; M619-P667 HydrophobicContact SD-CB 3.92Å; M619-P667 HydrophobicContact SD-CG 4.07Å; F623-P667 HydrophobicContact CD2-CG 4.21Å; F623-P667 HydrophobicContact CE1-CG 4.44Å; F623-P667 VanDerWaalsContact CE2-CD 3.42Å; F623-P667 HydrophobicContact CE2-CG 3.55Å; F623-P667 HydrophobicContact CZ-CG 3.67Å; P667-V669 HydrophobicContact CB-CG2 4.44Å; P667-V669 HydrophobicContact CG-CG2 3.73Å
668G90.7Very high97.2Very high21 Ų2113.7 Ų13.722%0.2167%0.072CC..THydrogen-bonded Turntrans82.731.417800000114.7P664 Y665P664-G668 VanDerWaalsContact O-CA 3.32Å; P664-G668 WeakPolarHBondContact O-CA 3.17Å; P664-G668 PolarHBondContact O-N 2.79Å; Y665-G668 VanDerWaalsContact CD1-CA 3.41Å
669V92.1Very high97.2Very high11 Ų1115.2 Ų15.27%0.0678%0.081CC..SBendtrans-131.9151.2176.3-74.20000111.2N256 L285 F623 P667 L671N256-V669 WeakPolarHBondContact OD1-CG1 3.42Å; L285-V669 HydrophobicContact CD1-CG1 4.01Å; L285-V669 HydrophobicContact CD1-CG2 3.75Å; L285-V669 HydrophobicContact CD2-CB 4.32Å; L285-V669 HydrophobicContact CD2-CG1 3.8Å; L285-V669 HydrophobicContact CD2-CG2 4.07Å; F623-V669 HydrophobicContact CD1-CG2 4.19Å; F623-V669 HydrophobicContact CE1-CG2 3.51Å; F623-V669 HydrophobicContact CZ-CG2 3.89Å; P667-V669 HydrophobicContact CB-CG2 4.44Å; P667-V669 HydrophobicContact CG-CG2 3.73Å; V669-L671 PolarHBondContact O-N 3.37Å
670P97.7Very high97.2Very high3 Ų321.1 Ų21.12%0.01911%0.109CC..  trans-57.7121.5-177-25.735.7000112.5M661 L663 M673M661-P670 HydrophobicContact CG-CB 4.19Å; M661-P670 HydrophobicContact SD-CB 3.83Å; M661-P670 HydrophobicContact SD-CG 3.77Å; L663-P670 HydrophobicContact CD1-CG 4.3Å; P670-M673 HydrophobicContact CB-CE 3.4Å; P670-M673 VanDerWaalsContact CB-CE 3.4Å; P670-M673 HydrophobicContact CB-SD 4.05Å; P670-M673 HydrophobicContact CG-CE 3.95Å
671L98.3Very high97.1Very high4 Ų427.8 Ų27.82%0.02114%0.139CC..SBendtrans-91.6-49.9177.4-178.959.9000110.5R255 A622 F623 I662 P664 V669 V685 F688 L689R255-L671 PolarHBondContact NH2-O 3.41Å; A622-L671 HydrophobicContact CB-CD1 4.37Å; F623-L671 HydrophobicContact CD1-CD1 4.04Å; F623-L671 HydrophobicContact CD2-CD1 4.11Å; F623-L671 HydrophobicContact CE1-CB 4.09Å; F623-L671 HydrophobicContact CE1-CD1 3.82Å; F623-L671 HydrophobicContact CE2-CD1 3.92Å; F623-L671 HydrophobicContact CG-CD1 4.19Å; F623-L671 HydrophobicContact CZ-CB 3.93Å; F623-L671 HydrophobicContact CZ-CD1 3.77Å; F623-L671 HydrophobicContact CZ-CG 4.33Å; I662-L671 PolarHBondContact O-N 2.88Å; P664-L671 HydrophobicContact CG-CB 4.13Å; P664-L671 HydrophobicContact CG-CD2 4.09Å; V669-L671 PolarHBondContact O-N 3.37Å; L671-V685 HydrophobicContact CD1-CG1 3.97Å; L671-V685 HydrophobicContact CD1-CG2 4.29Å; L671-V685 HydrophobicContact CD2-CG1 3.69Å; L671-V685 HydrophobicContact CG-CG1 3.65Å; L671-F688 HydrophobicContact CD2-CD1 4.07Å; L671-L689 HydrophobicContact CD2-CD1 4.15Å; L671-L689 HydrophobicContact CD2-CD2 3.81Å; L671-L689 HydrophobicContact CD2-CG 3.85Å
672V98.7Very high97.1Very high0 Ų026.2 Ų26.20%013%0.132CC..BIsolated β-bridgetrans-123.8136.5178.3-168.90000109.7P627 N658 M661 I662 E676 I678 V685P627-V672 HydrophobicContact CB-CG1 4.46Å; P627-V672 HydrophobicContact CG-CB 4.47Å; P627-V672 HydrophobicContact CG-CG1 4.29Å; P627-V672 HydrophobicContact CG-CG2 4.04Å; N658-V672 HydrophobicContact CB-CG1 3.92Å; M661-V672 CarbonylContact C-O 3.6Å; M661-V672 VanDerWaalsContact CA-O 3.25Å; M661-V672 WeakPolarHBondContact CA-O 3.47Å; M661-V672 WeakPolarHBondContact CG-O 3.33Å; I662-V672 HydrophobicContact CB-CB 4.02Å; I662-V672 HydrophobicContact CB-CG2 4.24Å; I662-V672 HydrophobicContact CD1-CB 4.32Å; I662-V672 HydrophobicContact CD1-CG2 4.28Å; I662-V672 HydrophobicContact CG1-CB 4.31Å; I662-V672 PolarHBondContact N-O 3.37Å; I662-V672 PolarHBondContact O-N 2.88Å; V672-E676 HydrophobicContact CG1-CB 3.95Å; V672-I678 HydrophobicContact CG2-CD1 4.37Å; V672-V685 HydrophobicContact CG2-CG1 3.82Å
673M98.7Very high97.1Very high0 Ų030 Ų300%015%0.146CC..  trans-99.6157.5175.3-62.5-67.9-174.300111.3R255 C257 T262 Y274 M661 P670 G675 E676R255-M673 VanDerWaalsContact NH1-CG 3.3Å; C257-M673 VanDerWaalsContact SG-CE 3.6Å; T262-M673 HydrophobicContact CG2-SD 3.81Å; Y274-M673 HydrophobicContact CE1-CE 4.1Å; Y274-M673 HydrophobicContact CE1-CG 4.34Å; M661-M673 HydrophobicContact CG-SD 4.17Å; M661-M673 HydrophobicContact SD-SD 4.19Å; P670-M673 HydrophobicContact CB-CE 3.4Å; P670-M673 VanDerWaalsContact CB-CE 3.4Å; P670-M673 HydrophobicContact CB-SD 4.05Å; P670-M673 HydrophobicContact CG-CE 3.95Å; M673-G675 PolarHBondContact O-N 3.28Å; M673-E676 HydrophobicContact CB-CG 4.17Å; M673-E676 PolarHBondContact N-OE2 3.33Å; M673-E676 WeakPolarHBondContact O-CB 3.42Å; M673-E676 PolarHBondContact O-N 2.86Å
674P98.8Very high97.1Very high1 Ų130.6 Ų30.61%0.00615%0.15CC..THydrogen-bonded Turntrans-53.2133.6167.1-25.535.6000111.3T262 M266 P633 A636 N658 A659 E676T262-P674 HydrophobicContact CG2-CG 4.45Å; M266-P674 HydrophobicContact CG-CG 4.34Å; M266-P674 HydrophobicContact SD-CG 4.1Å; P633-P674 WeakPolarHBondContact CA-O 3.43Å; P633-P674 HydrophobicContact CB-CB 4.16Å; A636-P674 HydrophobicContact CB-CB 3.98Å; N658-P674 WeakPolarHBondContact O-CA 3.35Å; A659-P674 WeakPolarHBondContact O-CB 3.27Å; P674-E676 VanDerWaalsContact C-N 3.34Å
675G98.6Very high97.1Very high0 Ų030.6 Ų30.60%015%0.15CC..THydrogen-bonded Turntrans88.8-6.2-179.800000115.1V630 M631 A636 N658 M673V630-G675 PolarHBondContact N-O 2.98Å; M631-G675 PolarHBondContact N-O 3.04Å; M631-G675 VanDerWaalsContact N-O 3.15Å; M631-G675 CarbonylContact O-C 3.48Å; M631-G675 WeakPolarHBondContact O-CA 3.45Å; A636-G675 VanDerWaalsContact CB-N 3.27Å; N658-G675 PolarHBondContact O-N 3.03Å; M673-G675 PolarHBondContact O-N 3.28Å
676E98.7Very high97.2Very high2 Ų225.9 Ų25.91%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-86.1155.8172.6-70.4178.1170.100112.6R255 P627 T628 M629 N658 V672 M673 P674R255-E676 IonicContact CZ-OE1 3.49Å; R255-E676 VanDerWaalsContact CZ-OE1 3.3Å; R255-E676 IonicContact CZ-OE2 3.5Å; R255-E676 IonicContact NH1-OE1 3.67Å; R255-E676 PolarHBondContact NH1-OE1 3.4Å; R255-E676 IonicContact NH1-OE2 3.62Å; R255-E676 VanDerWaalsContact NH2-CD 3.3Å; R255-E676 IonicContact NH2-OE1 3.23Å; R255-E676 PolarHBondContact NH2-OE1 3.27Å; R255-E676 IonicContact NH2-OE2 2.74Å; R255-E676 PolarHBondContact NH2-OE2 3.13Å; P627-E676 HydrophobicContact CB-CB 3.76Å; P627-E676 HydrophobicContact CB-CG 4.29Å; T628-E676 CarbonylContact O-C 3.53Å; T628-E676 VanDerWaalsContact O-CA 3.26Å; T628-E676 WeakPolarHBondContact O-CA 3.46Å; M629-E676 HydrophobicContact CB-CG 4.31Å; N658-E676 PolarHBondContact N-O 3.03Å; N658-E676 PolarHBondContact OD1-O 3.31Å; V672-E676 HydrophobicContact CG1-CB 3.95Å; M673-E676 HydrophobicContact CB-CG 4.17Å; M673-E676 PolarHBondContact N-OE2 3.33Å; M673-E676 WeakPolarHBondContact O-CB 3.42Å; M673-E676 PolarHBondContact O-N 2.86Å; P674-E676 VanDerWaalsContact C-N 3.34Å
677M98.7Very high97.4Very high37 Ų3728 Ų2818%0.18214%0.14CC..EExtended strand (participates in β ladder)trans-127.8132.9177.7175-176.5-7000109.5T628 V630 G655 R656 I657 T679T628-M677 PolarHBondContact N-O 2.85Å; T628-M677 PolarHBondContact O-N 3.49Å; V630-M677 HydrophobicContact CG2-CB 3.59Å; V630-M677 HydrophobicContact CG2-CE 4.07Å; V630-M677 HydrophobicContact CG2-SD 4.25Å; G655-M677 WeakPolarHBondContact O-CE 3.43Å; R656-M677 WeakPolarHBondContact O-CA 3.35Å; R656-M677 WeakPolarHBondContact O-CG 3.42Å; I657-M677 HydrophobicContact CD1-CE 4.32Å; I657-M677 HydrophobicContact CG1-CE 3.55Å; M677-T679 HydrophobicContact CG-CG2 4.28Å; M677-T679 HydrophobicContact SD-CG2 4.35Å
678I98.7Very high97.7Very high0 Ų027.6 Ų27.60%014%0.137CC..  trans-77.3123166.7-59.2-170.9000108.6M653 V654 G655 V672 S682 V685 L686M653-I678 HydrophobicContact CE-CD1 3.98Å; M653-I678 HydrophobicContact SD-CB 4.39Å; M653-I678 HydrophobicContact SD-CD1 3.29Å; M653-I678 WeakPolarHBondContact SD-CD1 3.35Å; M653-I678 HydrophobicContact SD-CG1 3.88Å; V654-I678 HydrophobicContact CG2-CG2 4.39Å; G655-I678 PolarHBondContact N-O 2.94Å; V672-I678 HydrophobicContact CG2-CD1 4.37Å; I678-S682 WeakPolarHBondContact CA-OG 3.43Å; I678-V685 HydrophobicContact CD1-CB 3.85Å; I678-V685 HydrophobicContact CD1-CG1 3.38Å; I678-V685 HydrophobicContact CG1-CB 4.44Å; I678-V685 HydrophobicContact CG1-CG1 4.11Å; I678-L686 HydrophobicContact CD1-CB 4.23Å; I678-L686 HydrophobicContact CG2-CB 4.42Å
679T98.2Very high98Very high33 Ų3326.6 Ų26.620%0.20213%0.127CC..  trans-109.8180174.267.30000110.4M677 E681 S682 R683M677-T679 HydrophobicContact CG-CG2 4.28Å; M677-T679 HydrophobicContact SD-CG2 4.35Å; T679-E681 PolarHBondContact O-N 3.25Å; T679-E681 PolarHBondContact OG1-N 3.48Å; T679-S682 PolarHBondContact N-OG 3.5Å; T679-S682 CarbonylContact O-C 3.57Å; T679-S682 PolarHBondContact O-N 2.85Å; T679-S682 VanDerWaalsContact O-N 3.16Å; T679-S682 PolarHBondContact O-OG 3.32Å; T679-R683 PolarHBondContact O-N 3.35Å
680E97.3Very high98.3Very high124 Ų12428.5 Ų28.558%0.57914%0.135SC*.SBendtrans-56.9-36.9171.9-63.9-53.9138.200112.6S682 R683E680-S682 VanDerWaalsContact C-N 3.25Å; E680-S682 PolarHBondContact O-N 2.87Å; E680-R683 WeakPolarHBondContact O-CB 3.37Å; E680-R683 PolarHBondContact O-N 2.72Å; E680-R683 IonicContact OE1-CZ 3.07Å; E680-R683 IonicContact OE1-NE 3.15Å; E680-R683 IonicContact OE1-NH2 3.62Å; E680-R683 PolarHBondContact OE1-NH2 3.15Å; E680-R683 IonicContact OE2-CZ 3.3Å; E680-R683 VanDerWaalsContact OE2-CZ 3.27Å; E680-R683 IonicContact OE2-NE 3.66Å; E680-R683 PolarHBondContact OE2-NE 3.14Å; E680-R683 IonicContact OE2-NH2 2.7Å; E680-R683 PolarHBondContact OE2-NH2 3.34Å
681E97Very high98.4Very high167 Ų16728.6 Ų28.678%0.7814%0.136SC*.THydrogen-bonded Turntrans-65.5-31179.3-63180176.500112.2T679T679-E681 PolarHBondContact O-N 3.25Å; T679-E681 PolarHBondContact OG1-N 3.48Å
682S98.1Very high98.3Very high1 Ų128.8 Ų28.81%0.00714%0.136CC..THydrogen-bonded Turntrans-106.117.4177.870.20000113.1I678 T679 E680 P684 V685I678-S682 WeakPolarHBondContact CA-OG 3.43Å; T679-S682 PolarHBondContact N-OG 3.5Å; T679-S682 CarbonylContact O-C 3.57Å; T679-S682 PolarHBondContact O-N 2.85Å; T679-S682 VanDerWaalsContact O-N 3.16Å; T679-S682 PolarHBondContact O-OG 3.32Å; E680-S682 VanDerWaalsContact C-N 3.25Å; E680-S682 PolarHBondContact O-N 2.87Å; S682-P684 VanDerWaalsContact C-N 3.28Å; S682-V685 WeakPolarHBondContact O-CB 3.36Å; S682-V685 VanDerWaalsContact O-CG2 3.25Å; S682-V685 WeakPolarHBondContact O-CG2 3.5Å; S682-V685 PolarHBondContact O-N 2.91Å
683R98.2Very high98.3Very high82 Ų8229.6 Ų29.631%0.30914%0.142SC..Hα-helixtrans-52.7-33.3179.1-179.2172.2-72.5-75.10.8114.7T679 E680 V685 L686 E687T679-R683 PolarHBondContact O-N 3.35Å; E680-R683 WeakPolarHBondContact O-CB 3.37Å; E680-R683 PolarHBondContact O-N 2.72Å; E680-R683 IonicContact OE1-CZ 3.07Å; E680-R683 IonicContact OE1-NE 3.15Å; E680-R683 IonicContact OE1-NH2 3.62Å; E680-R683 PolarHBondContact OE1-NH2 3.15Å; E680-R683 IonicContact OE2-CZ 3.3Å; E680-R683 VanDerWaalsContact OE2-CZ 3.27Å; E680-R683 IonicContact OE2-NE 3.66Å; E680-R683 PolarHBondContact OE2-NE 3.14Å; E680-R683 IonicContact OE2-NH2 2.7Å; E680-R683 PolarHBondContact OE2-NH2 3.34Å; R683-V685 PolarHBondContact O-N 2.91Å; R683-L686 PolarHBondContact O-N 2.93Å; R683-E687 HydrophobicContact CG-CG 4.29Å; R683-E687 PolarHBondContact O-N 3.35Å; R683-E687 VanDerWaalsContact O-N 3.15Å
684P98.4Very high98.2Very high24 Ų2434.6 Ų34.616%0.15617%0.165CC..Hα-helixtrans-54.3-25.1174.2-30.137.6000114.7R621 S682 F688R621-P684 HydrophobicContact CB-CB 4.13Å; S682-P684 VanDerWaalsContact C-N 3.28Å; P684-F688 WeakPolarHBondContact O-CB 3.36Å; P684-F688 PolarHBondContact O-N 3.07Å; P684-F688 VanDerWaalsContact O-N 3.1Å
685V98.6Very high98.1Very high0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-61-48173.3177.40000111A622 V625 P627 L671 V672 I678 S682 R683 L689A622-V685 WeakPolarHBondContact O-CG2 3.44Å; V625-V685 HydrophobicContact CG2-CG2 3.85Å; P627-V685 HydrophobicContact CG-CG2 4.33Å; L671-V685 HydrophobicContact CD1-CG1 3.97Å; L671-V685 HydrophobicContact CD1-CG2 4.29Å; L671-V685 HydrophobicContact CD2-CG1 3.69Å; L671-V685 HydrophobicContact CG-CG1 3.65Å; V672-V685 HydrophobicContact CG2-CG1 3.82Å; I678-V685 HydrophobicContact CD1-CB 3.85Å; I678-V685 HydrophobicContact CD1-CG1 3.38Å; I678-V685 HydrophobicContact CG1-CB 4.44Å; I678-V685 HydrophobicContact CG1-CG1 4.11Å; S682-V685 WeakPolarHBondContact O-CB 3.36Å; S682-V685 VanDerWaalsContact O-CG2 3.25Å; S682-V685 WeakPolarHBondContact O-CG2 3.5Å; S682-V685 PolarHBondContact O-N 2.91Å; R683-V685 PolarHBondContact O-N 2.91Å; V685-L689 HydrophobicContact CG1-CD1 4.48Å; V685-L689 WeakPolarHBondContact O-CG 3.25Å; V685-L689 PolarHBondContact O-N 3.34Å
686L98.5Very high98Very high3 Ų336.3 Ų36.32%0.01618%0.177CC..Hα-helixtrans-69.7-42.2178.6176.160.4000111.3L650 M653 V654 I678 R683 F688 L689 Q690L650-L686 HydrophobicContact CD1-CD1 4.35Å; L650-L686 HydrophobicContact CG-CD1 3.92Å; L650-L686 VanDerWaalsContact O-CD1 3.23Å; L650-L686 WeakPolarHBondContact O-CD1 3.37Å; M653-L686 HydrophobicContact CG-CD1 4.12Å; V654-L686 HydrophobicContact CG2-CD2 3.32Å; I678-L686 HydrophobicContact CD1-CB 4.23Å; I678-L686 HydrophobicContact CG2-CB 4.42Å; R683-L686 PolarHBondContact O-N 2.93Å; L686-F688 PolarHBondContact O-N 3.38Å; L686-L689 PolarHBondContact O-N 3.49Å; L686-L689 VanDerWaalsContact O-N 3.1Å; L686-Q690 HydrophobicContact CD1-CG 3.86Å; L686-Q690 HydrophobicContact CG-CG 4.16Å; L686-Q690 WeakPolarHBondContact O-CG 3.46Å; L686-Q690 PolarHBondContact O-N 3.09Å
687E98.5Very high97.9Very high67 Ų6739.7 Ų39.731%0.31321%0.205SC..Hα-helixtrans-54.7-42.7177.7-65.3170.8-173.800111.5L618 R621 R683 M691L618-E687 HydrophobicContact CD2-CB 3.83Å; R621-E687 IonicContact NH1-OE2 2.67Å; R621-E687 PolarHBondContact NH1-OE2 2.91Å; R683-E687 HydrophobicContact CG-CG 4.29Å; R683-E687 PolarHBondContact O-N 3.35Å; R683-E687 VanDerWaalsContact O-N 3.15Å; E687-M691 VanDerWaalsContact O-CB 3.31Å; E687-M691 WeakPolarHBondContact O-CB 3.37Å; E687-M691 PolarHBondContact O-N 2.9Å
688F98.5Very high97.9Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-66.7-43.6176.7175.3-116.8000112.7L618 M619 A622 F623 P664 P666 L671 P684 L686 M691 L692L618-F688 HydrophobicContact CB-CD2 4.2Å; M619-F688 HydrophobicContact CB-CD2 4.03Å; M619-F688 HydrophobicContact CB-CE2 3.53Å; M619-F688 HydrophobicContact CB-CZ 3.98Å; M619-F688 HydrophobicContact CG-CE2 3.94Å; M619-F688 HydrophobicContact CG-CZ 3.85Å; M619-F688 HydrophobicContact SD-CZ 4.43Å; A622-F688 HydrophobicContact CB-CB 3.54Å; A622-F688 HydrophobicContact CB-CD1 3.96Å; A622-F688 HydrophobicContact CB-CG 3.87Å; F623-F688 HydrophobicContact CE2-CD1 4.45Å; F623-F688 AromaticContact CE2-CE1 4Å; F623-F688 HydrophobicContact CE2-CE1 4Å; P664-F688 HydrophobicContact CB-CE1 4.11Å; P664-F688 HydrophobicContact CG-CE1 3.8Å; P666-F688 WeakPolarHBondContact O-CZ 3.31Å; L671-F688 HydrophobicContact CD2-CD1 4.07Å; P684-F688 WeakPolarHBondContact O-CB 3.36Å; P684-F688 PolarHBondContact O-N 3.07Å; P684-F688 VanDerWaalsContact O-N 3.1Å; L686-F688 PolarHBondContact O-N 3.38Å; F688-M691 HydrophobicContact CD2-CE 3.49Å; F688-M691 VanDerWaalsContact CD2-CE 3.49Å; F688-M691 HydrophobicContact CE2-CE 3.65Å; F688-M691 PolarHBondContact O-N 2.87Å; F688-L692 HydrophobicContact CD1-CD1 4.37Å; F688-L692 HydrophobicContact CD2-CG 4.4Å; F688-L692 HydrophobicContact CE1-CD1 3.73Å; F688-L692 HydrophobicContact CE1-CG 4.4Å; F688-L692 HydrophobicContact CE2-CD1 4.1Å; F688-L692 HydrophobicContact CE2-CD2 4.05Å; F688-L692 HydrophobicContact CE2-CG 3.95Å; F688-L692 HydrophobicContact CZ-CD1 3.58Å; F688-L692 HydrophobicContact CZ-CD2 4.19Å; F688-L692 HydrophobicContact CZ-CG 3.97Å; F688-L692 WeakPolarHBondContact O-CG 3.5Å; F688-L692 PolarHBondContact O-N 3.28Å
689L98.6Very high97.8Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-63.1-44.4177.7-68.2171.7000111.7L650 M653 I662 P664 L671 V685 L686 L692 C693 I706L650-L689 HydrophobicContact CD1-CB 4.29Å; L650-L689 HydrophobicContact CD1-CD1 4.23Å; L650-L689 HydrophobicContact CD2-CB 4.01Å; M653-L689 HydrophobicContact CE-CD1 3.83Å; I662-L689 HydrophobicContact CD1-CD1 4.44Å; I662-L689 HydrophobicContact CG2-CD1 4.13Å; I662-L689 HydrophobicContact CG2-CD2 3.82Å; P664-L689 HydrophobicContact CB-CD2 4.28Å; P664-L689 HydrophobicContact CG-CD2 4.49Å; L671-L689 HydrophobicContact CD2-CD1 4.15Å; L671-L689 HydrophobicContact CD2-CD2 3.81Å; L671-L689 HydrophobicContact CD2-CG 3.85Å; V685-L689 HydrophobicContact CG1-CD1 4.48Å; V685-L689 WeakPolarHBondContact O-CG 3.25Å; V685-L689 PolarHBondContact O-N 3.34Å; L686-L689 PolarHBondContact O-N 3.49Å; L686-L689 VanDerWaalsContact O-N 3.1Å; L689-L692 PolarHBondContact O-N 3.32Å; L689-C693 PolarHBondContact O-N 3.17Å; L689-C693 VanDerWaalsContact O-N 3.11Å; L689-C693 PolarHBondContact O-SG 3.49Å; L689-C693 VanDerWaalsContact O-SG 3.34Å; L689-I706 HydrophobicContact CD2-CD1 3.98Å; L689-I706 HydrophobicContact CD2-CG2 4.1Å
690Q98.4Very high97.7Very high50 Ų5043.4 Ų43.423%0.23422%0.221CC..Hα-helixtrans-60.6-46.7176.2-73.4172.7-42.300111.2L650 D651 L686 L692 C693 E694L650-Q690 HydrophobicContact CD2-CG 4.24Å; D651-Q690 PolarHBondContact OD1-NE2 2.69Å; L686-Q690 HydrophobicContact CD1-CG 3.86Å; L686-Q690 HydrophobicContact CG-CG 4.16Å; L686-Q690 WeakPolarHBondContact O-CG 3.46Å; L686-Q690 PolarHBondContact O-N 3.09Å; Q690-L692 VanDerWaalsContact C-N 3.31Å; Q690-L692 PolarHBondContact O-N 3.38Å; Q690-C693 WeakPolarHBondContact O-CA 3.49Å; Q690-C693 WeakPolarHBondContact O-CB 3.26Å; Q690-C693 PolarHBondContact O-N 3.09Å; Q690-E694 WeakPolarHBondContact O-CG 3.45Å; Q690-E694 PolarHBondContact O-N 2.95Å
691M98.2Very high97.7Very high6 Ų638.2 Ų38.23%0.0320%0.2CC..Hα-helixtrans-59.7-39.7176.9178.2-78.9-56.200112.3H613 L615 L618 E687 F688 C693 E694 I695H613-M691 HydrophobicContact CB-CG 3.63Å; H613-M691 HydrophobicContact CB-SD 3.97Å; L615-M691 HydrophobicContact CB-CE 3.9Å; L615-M691 HydrophobicContact CB-SD 4.01Å; L615-M691 HydrophobicContact CD1-CE 4.2Å; L615-M691 HydrophobicContact CD1-SD 4.21Å; L615-M691 HydrophobicContact CG-CE 3.72Å; L615-M691 HydrophobicContact CG-SD 4.19Å; L618-M691 HydrophobicContact CB-CE 4.38Å; L618-M691 HydrophobicContact CD1-CB 3.79Å; L618-M691 HydrophobicContact CD1-CE 4.28Å; L618-M691 HydrophobicContact CD1-CG 3.68Å; E687-M691 VanDerWaalsContact O-CB 3.31Å; E687-M691 WeakPolarHBondContact O-CB 3.37Å; E687-M691 PolarHBondContact O-N 2.9Å; F688-M691 HydrophobicContact CD2-CE 3.49Å; F688-M691 VanDerWaalsContact CD2-CE 3.49Å; F688-M691 HydrophobicContact CE2-CE 3.65Å; F688-M691 PolarHBondContact O-N 2.87Å; M691-C693 VanDerWaalsContact C-N 3.32Å; M691-C693 PolarHBondContact O-N 2.94Å; M691-E694 PolarHBondContact O-N 3.35Å; M691-I695 WeakPolarHBondContact O-CB 3.37Å; M691-I695 WeakPolarHBondContact O-CG2 3.45Å; M691-I695 PolarHBondContact O-N 3.19Å; M691-I695 HydrophobicContact SD-CB 4.32Å; M691-I695 HydrophobicContact SD-CG2 4.13Å
692L98.1Very high97.7Very high7 Ų731.8 Ų31.84%0.03717%0.17CC..Hα-helixtrans-63.6-36.1174.6-73.7-176.1000112.8L615 P664 F688 L689 Q690 I695 G696 T704 I706L615-L692 HydrophobicContact CD1-CD2 4.37Å; P664-L692 HydrophobicContact CB-CD1 3.61Å; F688-L692 HydrophobicContact CD1-CD1 4.37Å; F688-L692 HydrophobicContact CD2-CG 4.4Å; F688-L692 HydrophobicContact CE1-CD1 3.73Å; F688-L692 HydrophobicContact CE1-CG 4.4Å; F688-L692 HydrophobicContact CE2-CD1 4.1Å; F688-L692 HydrophobicContact CE2-CD2 4.05Å; F688-L692 HydrophobicContact CE2-CG 3.95Å; F688-L692 HydrophobicContact CZ-CD1 3.58Å; F688-L692 HydrophobicContact CZ-CD2 4.19Å; F688-L692 HydrophobicContact CZ-CG 3.97Å; F688-L692 WeakPolarHBondContact O-CG 3.5Å; F688-L692 PolarHBondContact O-N 3.28Å; L689-L692 PolarHBondContact O-N 3.32Å; Q690-L692 VanDerWaalsContact C-N 3.31Å; Q690-L692 PolarHBondContact O-N 3.38Å; L692-I695 HydrophobicContact CD2-CG2 4.44Å; L692-I695 WeakPolarHBondContact O-CG2 3.43Å; L692-G696 PolarHBondContact O-N 2.91Å; L692-T704 HydrophobicContact CB-CG2 4.21Å; L692-T704 WeakPolarHBondContact O-CG2 3.36Å; L692-T704 PolarHBondContact O-OG1 3.4Å; L692-I706 HydrophobicContact CB-CD1 3.98Å; L692-I706 HydrophobicContact CD1-CD1 4.19Å; L692-I706 HydrophobicContact CD1-CG1 4.23Å
693C97.7Very high97.6Very high18 Ų1837 Ų3712%0.12219%0.194CC..Hα-helixtrans-67.5-40.7173.9-660000112L689 Q690 M691 T704 Y717L689-C693 PolarHBondContact O-N 3.17Å; L689-C693 VanDerWaalsContact O-N 3.11Å; L689-C693 PolarHBondContact O-SG 3.49Å; L689-C693 VanDerWaalsContact O-SG 3.34Å; Q690-C693 WeakPolarHBondContact O-CA 3.49Å; Q690-C693 WeakPolarHBondContact O-CB 3.26Å; Q690-C693 PolarHBondContact O-N 3.09Å; M691-C693 VanDerWaalsContact C-N 3.32Å; M691-C693 PolarHBondContact O-N 2.94Å; C693-T704 WeakPolarHBondContact CA-OG1 3.11Å; C693-Y717 HydrophobicContact CB-CD2 3.68Å; C693-Y717 HydrophobicContact CB-CE2 3.78Å; C693-Y717 WeakPolarHBondContact SG-CD2 3.44Å; C693-Y717 VanDerWaalsContact SG-CG 3.53Å
694E97.4Very high97.6Very high104 Ų10434.1 Ų34.149%0.48619%0.186SC..Hα-helixtrans-67.7-49.5177.5-70.1172.2-175.100111.9H613 Q690 M691 G696 A697 H698H613-E694 IonicContact CE1-OE2 3.38Å; H613-E694 PolarHBondContact CE1-OE2 3.18Å; H613-E694 IonicContact ND1-OE2 3.72Å; Q690-E694 WeakPolarHBondContact O-CG 3.45Å; Q690-E694 PolarHBondContact O-N 2.95Å; M691-E694 PolarHBondContact O-N 3.35Å; E694-G696 PolarHBondContact O-N 2.57Å; E694-A697 PolarHBondContact O-N 3.46Å; E694-H698 PolarHBondContact O-CE1 2.68Å; E694-H698 PolarHBondContact O-ND1 2.85Å
695I96.2Very high97.5Very high27 Ų2736.5 Ų36.514%0.13820%0.197CC..Hα-helixtrans-64.7-40.4-176.7-160.9173.6000111.5L609 I610 L615 M691 L692 A697 H698L609-I695 HydrophobicContact CB-CD1 4.2Å; L609-I695 HydrophobicContact CB-CG1 4Å; L609-I695 HydrophobicContact CD1-CG1 4.45Å; I610-I695 HydrophobicContact CG1-CD1 3.92Å; L615-I695 HydrophobicContact CD1-CD1 4.01Å; M691-I695 WeakPolarHBondContact O-CB 3.37Å; M691-I695 WeakPolarHBondContact O-CG2 3.45Å; M691-I695 PolarHBondContact O-N 3.19Å; M691-I695 HydrophobicContact SD-CB 4.32Å; M691-I695 HydrophobicContact SD-CG2 4.13Å; L692-I695 HydrophobicContact CD2-CG2 4.44Å; L692-I695 WeakPolarHBondContact O-CG2 3.43Å; I695-A697 PolarHBondContact O-N 3.33Å; I695-H698 PolarHBondContact O-ND1 3.08Å
696G96.6Very high97.5Very high11 Ų1137 Ų3711%0.11320%0.2CC..THydrogen-bonded Turntrans-75.1-3.4-178.700000114.9L692 E694L692-G696 PolarHBondContact O-N 2.91Å; E694-G696 PolarHBondContact O-N 2.57Å
697A96.9Very high97.4Very high72 Ų7241.6 Ų41.660%0.59522%0.221SC*.THydrogen-bonded Turntrans-84.8-7.8177.600000114.1E694 I695E694-A697 PolarHBondContact O-N 3.46Å; I695-A697 PolarHBondContact O-N 3.33Å
698H97.3Very high97.4Very high86 Ų8639.2 Ų39.240%0.39821%0.214SC..SBendtrans-90.6-37.2-167.3-70.582.7000115.3L609 E694 I695L609-H698 HydrophobicContact CD1-CB 3.66Å; E694-H698 PolarHBondContact O-CE1 2.68Å; E694-H698 PolarHBondContact O-ND1 2.85Å; I695-H698 PolarHBondContact O-ND1 3.08Å
699Y97.4Very high97.4Very high33 Ų3339.9 Ų39.913%0.12922%0.22CC..SBendtrans-128.1118.2-168.7-73.2-85.8000110.9F593 M597 L602 N605 I606 L609 G701 F702F593-Y699 AromaticContact CE1-CD1 3.62Å; F593-Y699 HydrophobicContact CE1-CD1 3.62Å; F593-Y699 AromaticContact CE1-CE1 3.91Å; F593-Y699 HydrophobicContact CE1-CE1 3.91Å; F593-Y699 AromaticContact CZ-CD1 3.85Å; F593-Y699 HydrophobicContact CZ-CD1 3.85Å; F593-Y699 AromaticContact CZ-CE1 3.97Å; F593-Y699 HydrophobicContact CZ-CE1 3.97Å; M597-Y699 HydrophobicContact CE-CE1 4.06Å; M597-Y699 HydrophobicContact SD-CE1 4.31Å; L602-Y699 HydrophobicContact CD1-CD1 3.81Å; L602-Y699 HydrophobicContact CD1-CE1 4.06Å; N605-Y699 HydrophobicContact CB-CE2 4.37Å; N605-Y699 WeakPolarHBondContact CB-OH 3.49Å; N605-Y699 PolarHBondContact ND2-OH 2.92Å; I606-Y699 HydrophobicContact CD1-CG 4.49Å; I606-Y699 HydrophobicContact CG1-CD2 3.94Å; I606-Y699 HydrophobicContact CG1-CE2 4.17Å; I606-Y699 HydrophobicContact CG1-CG 4.22Å; L609-Y699 HydrophobicContact CD1-CD2 3.91Å; L609-Y699 HydrophobicContact CD1-CE2 3.6Å; Y699-G701 PolarHBondContact O-N 3.07Å; Y699-F702 PolarHBondContact O-N 2.9Å
700P97Very high97.3Very high30 Ų3044.3 Ų44.320%0.19524%0.237CC..THydrogen-bonded Turntrans-56.8136.9175.4-2433.7000112.4L586 D590 F593 Y594 F702L586-P700 VanDerWaalsContact CD1-O 3.29Å; L586-P700 WeakPolarHBondContact CD1-O 3.47Å; D590-P700 HydrophobicContact CB-CB 3.93Å; D590-P700 HydrophobicContact CB-CG 3.85Å; F593-P700 HydrophobicContact CD1-CG 4.43Å; F593-P700 HydrophobicContact CD2-CG 4.48Å; F593-P700 HydrophobicContact CG-CG 4.26Å; Y594-P700 HydrophobicContact CE2-CB 4.13Å; Y594-P700 HydrophobicContact CE2-CG 4.42Å; Y594-P700 PolarHBondContact OH-O 3.3Å; P700-F702 VanDerWaalsContact C-N 3.27Å; P700-F702 PolarHBondContact O-N 3.45Å
701G96.4Very high97.3Very high14 Ų1449.5 Ų49.514%0.14425%0.254CS..THydrogen-bonded Turntrans79.11.4-172.500000114.9K529 Y699 E703K529-G701 WeakPolarHBondContact CE-O 3.24Å; K529-G701 PolarHBondContact NZ-O 3.34Å; Y699-G701 PolarHBondContact O-N 3.07Å; G701-E703 WeakPolarHBondContact CA-OE2 3.33Å; G701-E703 VanDerWaalsContact N-CD 3.29Å; G701-E703 PolarHBondContact N-OE1 3.23Å; G701-E703 PolarHBondContact N-OE2 3.23Å
702F97.6Very high97.3Very high33 Ų3352.3 Ų52.315%0.14527%0.267CS..  trans-123.238.9172.4-60.2-93.8000111S525 I526 K529 L586 L602 I606 Y699 P700S525-F702 WeakPolarHBondContact OG-CE1 3.36Å; I526-F702 HydrophobicContact CG1-CE1 4.03Å; I526-F702 HydrophobicContact CG1-CZ 4.05Å; K529-F702 HydrophobicContact CD-CE1 4.04Å; K529-F702 HydrophobicContact CD-CE2 4.16Å; K529-F702 HydrophobicContact CD-CZ 3.66Å; L586-F702 HydrophobicContact CD1-CD2 4.44Å; L586-F702 HydrophobicContact CD1-CE2 3.91Å; L586-F702 HydrophobicContact CD2-CE2 3.76Å; L586-F702 HydrophobicContact CD2-CZ 4.13Å; L602-F702 HydrophobicContact CD1-CE2 4.32Å; L602-F702 HydrophobicContact CD2-CE2 4.45Å; L602-F702 HydrophobicContact CD2-CZ 4.37Å; I606-F702 HydrophobicContact CD1-CD1 3.92Å; I606-F702 HydrophobicContact CD1-CD2 4.09Å; I606-F702 HydrophobicContact CD1-CE1 3.76Å; I606-F702 HydrophobicContact CD1-CE2 3.93Å; I606-F702 HydrophobicContact CD1-CG 4.07Å; I606-F702 HydrophobicContact CD1-CZ 3.75Å; Y699-F702 PolarHBondContact O-N 2.9Å; P700-F702 VanDerWaalsContact C-N 3.27Å; P700-F702 PolarHBondContact O-N 3.45Å
703E96.4Very high97.3Very high110 Ų11057.3 Ų57.351%0.51431%0.31SS..  trans-64.2157-177.4-63.678-171.800112.7G701 D705G701-E703 WeakPolarHBondContact CA-OE2 3.33Å; G701-E703 VanDerWaalsContact N-CD 3.29Å; G701-E703 PolarHBondContact N-OE1 3.23Å; G701-E703 PolarHBondContact N-OE2 3.23Å; E703-D705 PolarHBondContact O-N 2.93Å
704T96.4Very high97.2Very high22 Ų2260.9 Ų60.914%0.13533%0.328CS..  trans-61.5126.8169.7-48.50000110.7L692 C693 I706 Y717L692-T704 HydrophobicContact CB-CG2 4.21Å; L692-T704 WeakPolarHBondContact O-CG2 3.36Å; L692-T704 PolarHBondContact O-OG1 3.4Å; C693-T704 WeakPolarHBondContact CA-OG1 3.11Å; T704-I706 HydrophobicContact CG2-CD1 3.46Å; T704-I706 VanDerWaalsContact CG2-CD1 3.46Å; T704-I706 HydrophobicContact CG2-CG1 3.67Å; T704-Y717 VanDerWaalsContact CB-OH 3.28Å; T704-Y717 WeakPolarHBondContact CB-OH 3.46Å; T704-Y717 HydrophobicContact CG2-CE1 4.4Å; T704-Y717 PolarHBondContact OG1-OH 2.98Å
705D96.6Very high97.1Very high73 Ų7357.1 Ų57.139%0.3932%0.317SS..EExtended strand (participates in β ladder)trans-11696.7173.4-175.79.7000110.3Y665 E703 H707Y665-D705 PolarHBondContact N-O 3.37Å; E703-D705 PolarHBondContact O-N 2.93Å; D705-H707 IonicContact OD1-CD2 3.2Å; D705-H707 PolarHBondContact OD1-CD2 3.43Å; D705-H707 IonicContact OD1-NE2 3.78Å
706I98.1Very high97.1Very high11 Ų1160.1 Ų60.16%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-128104177.1-59167.7000108.3I662 P664 L689 L692 T704 G708 A709I662-I706 HydrophobicContact CG2-CG2 3.69Å; P664-I706 HydrophobicContact CB-CG1 4.07Å; P664-I706 HydrophobicContact CB-CG2 4.48Å; L689-I706 HydrophobicContact CD2-CD1 3.98Å; L689-I706 HydrophobicContact CD2-CG2 4.1Å; L692-I706 HydrophobicContact CB-CD1 3.98Å; L692-I706 HydrophobicContact CD1-CD1 4.19Å; L692-I706 HydrophobicContact CD1-CG1 4.23Å; T704-I706 HydrophobicContact CG2-CD1 3.46Å; T704-I706 VanDerWaalsContact CG2-CD1 3.46Å; T704-I706 HydrophobicContact CG2-CG1 3.67Å; I706-G708 PolarHBondContact O-N 3.23Å; I706-A709 HydrophobicContact CB-CB 4.08Å; I706-A709 HydrophobicContact CG2-CB 3.82Å; I706-A709 PolarHBondContact O-N 2.67Å
707H97.9Very high97.2Very high100 Ų10060.7 Ų60.746%0.46333%0.325SS..EExtended strand (participates in β ladder)trans-65.2127.1172.1-66.4-178.5000109.6I662 L663 Y665 D705I662-H707 WeakPolarHBondContact CA-O 3.36Å; L663-H707 HydrophobicContact CB-CB 4.23Å; L663-H707 PolarHBondContact N-O 3.23Å; L663-H707 PolarHBondContact O-N 3.26Å; Y665-H707 AromaticContact CE2-CE1 3.8Å; Y665-H707 AromaticContact CE2-ND1 4Å; D705-H707 IonicContact OD1-CD2 3.2Å; D705-H707 PolarHBondContact OD1-CD2 3.43Å; D705-H707 IonicContact OD1-NE2 3.78Å
708G97.4Very high97.3Very high17 Ų1757.7 Ų57.718%0.17530%0.3CS..THydrogen-bonded Turntrans98.5-5.8-177.100000114.7I706I706-G708 PolarHBondContact O-N 3.23Å
709A98.2Very high97.4Very high14 Ų1453.6 Ų53.612%0.11628%0.281CS..EExtended strand (participates in β ladder)trans-111.4146.9168.100000110.6I706 Y717 T718 V719I706-A709 HydrophobicContact CB-CB 4.08Å; I706-A709 HydrophobicContact CG2-CB 3.82Å; I706-A709 PolarHBondContact O-N 2.67Å; A709-Y717 HydrophobicContact CB-CD1 4.13Å; A709-T718 CarbonylContact C-O 3.59Å; A709-T718 WeakPolarHBondContact CA-O 3.38Å; A709-V719 HydrophobicContact CB-CG1 4.12Å
710Y98.2Very high97.4Very high93 Ų9353.6 Ų53.637%0.36528%0.281SS..EExtended strand (participates in β ladder)trans-121.8119.6-174.8-49.9-77.3000110.4N660 Q712 Y717 T718N660-Y710 PolarHBondContact ND2-OH 2.73Å; Y710-Q712 PolarHBondContact O-N 2.9Å; Y710-Y717 CarbonylContact O-C 3.59Å; Y710-Y717 VanDerWaalsContact O-CA 3.31Å; Y710-Y717 WeakPolarHBondContact O-CA 3.27Å; Y710-T718 PolarHBondContact N-O 2.72Å; Y710-T718 PolarHBondContact O-N 3.05Å
711R97.9Very high97.5Very high158 Ų15852.1 Ų52.160%0.59627%0.272SS*.EExtended strand (participates in β ladder)trans-73.3119.2176.7-166.7178-174-923.4109.8Y717R711-Y717 HydrophobicContact CB-CD1 4.11Å; R711-Y717 HydrophobicContact CB-CE1 3.59Å; R711-Y717 WeakPolarHBondContact CD-OH 2.96Å; R711-Y717 HydrophobicContact CG-CE1 4.03Å; R711-Y717 HydrophobicContact CG-CE2 4.09Å
712Q98.1Very high97.6Very high65 Ų6552 Ų5230%0.30427%0.268SS..  trans-82.1166.5177.4-61.9-59.6-35.700111.1Y710 D714 G715 R716 T718Y710-Q712 PolarHBondContact O-N 2.9Å; Q712-D714 VanDerWaalsContact CB-OD1 3.24Å; Q712-D714 WeakPolarHBondContact CB-OD1 3.46Å; Q712-D714 PolarHBondContact O-N 3.25Å; Q712-G715 PolarHBondContact O-N 3.21Å; Q712-R716 WeakPolarHBondContact CB-O 3.26Å; Q712-R716 PolarHBondContact N-O 3.07Å; Q712-T718 HydrophobicContact CG-CG2 3.7Å; Q712-T718 PolarHBondContact NE2-OG1 2.82Å
713A97Very high97.6Very high112 Ų11255.4 Ų55.493%0.92628%0.283SS*.THydrogen-bonded Turntrans-62.1-27.1-178.100000113.6G715A713-G715 VanDerWaalsContact C-N 3.25Å; A713-G715 PolarHBondContact O-N 3.07Å
714D96.1Very high97.4Very high94 Ų9456.8 Ų56.850%0.50329%0.289SS..THydrogen-bonded Turntrans-81.3-1.2174.966.1-8.5000113.3Q712 R716Q712-D714 VanDerWaalsContact CB-OD1 3.24Å; Q712-D714 WeakPolarHBondContact CB-OD1 3.46Å; Q712-D714 PolarHBondContact O-N 3.25Å; D714-R716 VanDerWaalsContact C-N 3.31Å; D714-R716 WeakPolarHBondContact OD1-CB 3.49Å; D714-R716 PolarHBondContact OD1-N 3.08Å; D714-R716 WeakPolarHBondContact OD2-CD 3.26Å
715G94.9Very high96.3Very high25 Ų2562.8 Ų62.826%0.25832%0.316SS..SBendtrans85-6-177.500000114.8Q712 A713Q712-G715 PolarHBondContact O-N 3.21Å; A713-G715 VanDerWaalsContact C-N 3.25Å; A713-G715 PolarHBondContact O-N 3.07Å
716R97.2Very high94Very high89 Ų8963.6 Ų63.634%0.33633%0.327SS..  trans-73.2163.7172.4-62.3-174.372.6-161.70.2110.4Y649 D651 Q712 D714Y649-R716 HydrophobicContact CD1-CB 3.92Å; Y649-R716 HydrophobicContact CE1-CB 3.74Å; Y649-R716 HydrophobicContact CE1-CG 4.41Å; Y649-R716 VanDerWaalsContact CE2-NH1 3.29Å; D651-R716 IonicContact OD2-CZ 3.67Å; D651-R716 IonicContact OD2-NE 3.49Å; D651-R716 IonicContact OD2-NH2 2.76Å; D651-R716 PolarHBondContact OD2-NH2 2.81Å; Q712-R716 WeakPolarHBondContact CB-O 3.26Å; Q712-R716 PolarHBondContact N-O 3.07Å; D714-R716 VanDerWaalsContact C-N 3.31Å; D714-R716 WeakPolarHBondContact OD1-CB 3.49Å; D714-R716 PolarHBondContact OD1-N 3.08Å; D714-R716 WeakPolarHBondContact OD2-CD 3.26Å
717Y98.5Very high91.1Very high23 Ų2373.4 Ų73.49%0.0937%0.369CS..EExtended strand (participates in β ladder)trans-112.8140.5178.2-72.6-101.4000111.3L650 C693 T704 A709 Y710 R711L650-Y717 PolarHBondContact N-O 3.46Å; C693-Y717 HydrophobicContact CB-CD2 3.68Å; C693-Y717 HydrophobicContact CB-CE2 3.78Å; C693-Y717 WeakPolarHBondContact SG-CD2 3.44Å; C693-Y717 VanDerWaalsContact SG-CG 3.53Å; T704-Y717 VanDerWaalsContact CB-OH 3.28Å; T704-Y717 WeakPolarHBondContact CB-OH 3.46Å; T704-Y717 HydrophobicContact CG2-CE1 4.4Å; T704-Y717 PolarHBondContact OG1-OH 2.98Å; A709-Y717 HydrophobicContact CB-CD1 4.13Å; Y710-Y717 CarbonylContact O-C 3.59Å; Y710-Y717 VanDerWaalsContact O-CA 3.31Å; Y710-Y717 WeakPolarHBondContact O-CA 3.27Å; R711-Y717 HydrophobicContact CB-CD1 4.11Å; R711-Y717 HydrophobicContact CB-CE1 3.59Å; R711-Y717 WeakPolarHBondContact CD-OH 2.96Å; R711-Y717 HydrophobicContact CG-CE1 4.03Å; R711-Y717 HydrophobicContact CG-CE2 4.09Å
718T98.7Very high87.9Confident9 Ų981 Ų816%0.05540%0.401CS..EExtended strand (participates in β ladder)trans-111.4155169.659.20000111.2E647 V648 Y649 A709 Y710 Q712E647-T718 WeakPolarHBondContact OE2-CB 3.48Å; E647-T718 PolarHBondContact OE2-OG1 2.7Å; V648-T718 CarbonylContact O-C 3.55Å; V648-T718 WeakPolarHBondContact O-CA 3.41Å; V648-T718 VanDerWaalsContact O-CB 3.31Å; V648-T718 WeakPolarHBondContact O-CB 3.41Å; Y649-T718 HydrophobicContact CD1-CG2 3.97Å; Y649-T718 HydrophobicContact CE1-CG2 4.23Å; A709-T718 CarbonylContact C-O 3.59Å; A709-T718 WeakPolarHBondContact CA-O 3.38Å; Y710-T718 PolarHBondContact N-O 2.72Å; Y710-T718 PolarHBondContact O-N 3.05Å; Q712-T718 HydrophobicContact CG-CG2 3.7Å; Q712-T718 PolarHBondContact NE2-OG1 2.82Å
719V98.6Very high87.5Confident1 Ų184.3 Ų84.31%0.00641%0.413CS..EExtended strand (participates in β ladder)trans-129.1149.4171.4-67.60000109.5E647 V648 L650 M653 I662 A709 V721E647-V719 WeakPolarHBondContact CA-O 3.36Å; V648-V719 HydrophobicContact CG2-CG2 4.04Å; V648-V719 PolarHBondContact N-O 2.98Å; V648-V719 VanDerWaalsContact N-O 3.08Å; V648-V719 PolarHBondContact O-N 3.42Å; L650-V719 HydrophobicContact CD1-CG1 3.7Å; M653-V719 HydrophobicContact CB-CG2 3.74Å; M653-V719 HydrophobicContact CE-CG1 4.2Å; M653-V719 HydrophobicContact CE-CG2 4.12Å; M653-V719 HydrophobicContact CG-CG2 4.28Å; I662-V719 HydrophobicContact CD1-CG1 3.99Å; A709-V719 HydrophobicContact CB-CG1 4.12Å; V719-V721 HydrophobicContact CG2-CG1 4.19Å
720K98.6Very high86.9Confident32 Ų3287.9 Ų87.914%0.13943%0.428CS..EExtended strand (participates in β ladder)trans-87120.1177.9-164.9178.171-166.60110.4E640 T645 A659 N660E640-K720 IonicContact OE1-NZ 2.87Å; E640-K720 PolarHBondContact OE1-NZ 2.94Å; E640-K720 IonicContact OE2-NZ 2.97Å; E640-K720 PolarHBondContact OE2-NZ 2.91Å; T645-K720 HydrophobicContact CG2-CD 4.19Å; T645-K720 HydrophobicContact CG2-CG 4.2Å; A659-K720 HydrophobicContact CB-CB 4.43Å; A659-K720 HydrophobicContact CB-CD 4.48Å; A659-K720 HydrophobicContact CB-CG 4.1Å; A659-K720 WeakPolarHBondContact CB-O 3.39Å; A659-K720 PolarHBondContact N-O 2.78Å; N660-K720 WeakPolarHBondContact OD1-CE 3.28Å; N660-K720 PolarHBondContact OD1-NZ 3.23Å
721V98.8Very high86.3Confident0 Ų087.7 Ų87.70%043%0.432CS..EExtended strand (participates in β ladder)trans-121.1164.7179.7-61.50000110.6T645 E646 V648 R656 I657 V719T645-V721 CarbonylContact C-O 3.36Å; T645-V721 WeakPolarHBondContact CA-O 3.36Å; E646-V721 HydrophobicContact CG-CG2 4.06Å; E646-V721 PolarHBondContact N-O 3.1Å; E646-V721 PolarHBondContact O-N 3.05Å; V648-V721 HydrophobicContact CB-CG2 4.35Å; V648-V721 HydrophobicContact CG1-CG2 3.72Å; V648-V721 HydrophobicContact CG2-CB 4.43Å; V648-V721 HydrophobicContact CG2-CG1 3.79Å; V648-V721 HydrophobicContact CG2-CG2 3.73Å; R656-V721 HydrophobicContact CB-CB 3.98Å; R656-V721 HydrophobicContact CB-CG1 3.77Å; R656-V721 HydrophobicContact CB-CG2 4.27Å; I657-V721 CarbonylContact O-C 3.35Å; I657-V721 VanDerWaalsContact O-CA 3.24Å; I657-V721 WeakPolarHBondContact O-CA 3.09Å; I657-V721 WeakPolarHBondContact O-CB 3.31Å; V719-V721 HydrophobicContact CG2-CG1 4.19Å
722L98.5Very high85.6Confident11 Ų1183.5 Ų83.56%0.05842%0.422CS..EExtended strand (participates in β ladder)trans-74.2139171.2-55.4-174.3000110.3M631 K639 M644 T645 R656 I657 A659M631-L722 HydrophobicContact CE-CD1 3.87Å; M631-L722 HydrophobicContact SD-CD1 3.64Å; K639-L722 HydrophobicContact CB-CD1 4.04Å; K639-L722 HydrophobicContact CB-CD2 3.81Å; K639-L722 HydrophobicContact CG-CD1 4.19Å; M644-L722 CarbonylContact O-C 3.55Å; M644-L722 WeakPolarHBondContact O-CA 3.33Å; T645-L722 HydrophobicContact CG2-CD2 3.99Å; R656-L722 PolarHBondContact NH2-O 3.32Å; I657-L722 HydrophobicContact CB-CB 4.3Å; I657-L722 HydrophobicContact CB-CD1 4.07Å; I657-L722 HydrophobicContact CB-CG 4.18Å; I657-L722 HydrophobicContact CG2-CD1 3.73Å; I657-L722 HydrophobicContact CG2-CG 4.15Å; I657-L722 PolarHBondContact O-N 2.71Å; A659-L722 HydrophobicContact CB-CD2 4.02Å
723K97.7Very high84.8Confident104 Ų10484.7 Ų84.745%0.45243%0.43SS..PPolyproline II helixtrans-60.9138.9170.5-71.8174.3179.2150.90109.3G643 M644 T645 E646G643-K723 PolarHBondContact O-NZ 3.4Å; M644-K723 PolarHBondContact O-N 2.84Å; T645-K723 WeakPolarHBondContact O-CE 3.47Å; E646-K723 HydrophobicContact CB-CG 4.07Å; E646-K723 HydrophobicContact CG-CG 4.03Å
724E92.6Very high84Confident140 Ų14082.9 Ų82.965%0.65440%0.397SS*.PPolyproline II helixtrans-70.3130.9170-63.3-177.4152.500109R656 S726R656-E724 IonicContact NE-OE1 2.71Å; E724-S726 PolarHBondContact O-N 2.73Å; E724-S726 VanDerWaalsContact O-N 3.1Å
725E71.8Confident83.1Confident147 Ų14782.1 Ų82.169%0.68739%0.389SS*.PPolyproline II helixtrans-63.5116.6169.3-72.9180-173.600107.2K639 K727K639-E725 IonicContact NZ-OE1 2.78Å; K639-E725 PolarHBondContact NZ-OE1 3.03Å; E725-K727 PolarHBondContact O-N 3.22Å
726S49.1Very low82.2Confident91 Ų9186.5 Ų86.564%0.63640%0.399SS*.  trans-51.3113.6177.8600000108E724 K728E724-S726 PolarHBondContact O-N 2.73Å; E724-S726 VanDerWaalsContact O-N 3.1Å; S726-K728 PolarHBondContact O-N 3.2Å
727K37.5Very low81Confident216 Ų21686.3 Ų86.394%0.93940%0.404SS*.  trans-57.494.9167.7-72-178-179.4175.40106.7E725E725-K727 PolarHBondContact O-N 3.22Å
728K31.5Very low79.4Confident261 Ų26192 Ų92100%1.13543%0.433SS*.  trans-910166.7-87.6-169.3176.6-179.50109.2S726S726-K728 PolarHBondContact O-N 3.2Å

Retrieved 728 of 728 residues in 413.1 ms (Link to these results)

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